NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3772 | 1e5g | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 7 H ARG 7 33.696 2.204 -4.312 2 HA ARG 7 HA ARG 7 32.678 3.686 -1.981 3 HE ARG 7 HE ARG 7 34.350 4.558 -1.236 4 1HH1 ARG 7 1HH1 ARG 7 33.127 7.569 0.013 5 1HH2 ARG 7 1HH2 ARG 7 34.894 4.066 0.925 6 H ARG 8 H ARG 8 30.216 4.385 -2.799 7 HA ARG 8 HA ARG 8 28.102 3.642 -2.858 8 HE ARG 8 HE ARG 8 28.947 2.941 -8.587 9 1HH1 ARG 8 1HH1 ARG 8 29.596 5.976 -7.009 10 1HH2 ARG 8 1HH2 ARG 8 30.379 3.661 -10.211 11 H CYS 9 H CYS 9 26.636 1.723 -2.691 12 HA CYS 9 HA CYS 9 27.833 -0.235 -0.863 13 HA PRO 10 HA PRO 10 27.067 -3.633 -3.543 14 H SER 11 H SER 11 25.361 -5.182 -4.347 15 HA SER 11 HA SER 11 23.170 -3.859 -5.296 16 HG SER 11 HG SER 11 22.116 -6.676 -6.896 17 HA PRO 12 HA PRO 12 20.927 -3.272 -1.390 18 H ARG 13 H ARG 13 19.010 -4.164 -0.488 19 HA ARG 13 HA ARG 13 18.287 -6.707 -1.619 20 HE ARG 13 HE ARG 13 18.833 -9.747 1.503 21 1HH1 ARG 13 1HH1 ARG 13 16.196 -9.011 3.654 22 1HH2 ARG 13 1HH2 ARG 13 18.777 -11.842 2.407 23 H ASP 14 H ASP 14 15.976 -7.340 -1.823 24 HA ASP 14 HA ASP 14 14.480 -5.143 -3.079 25 H ILE 15 H ILE 15 12.071 -6.188 -3.434 26 HA ILE 15 HA ILE 15 11.075 -7.205 -0.880 27 HB ILE 15 HB ILE 15 10.982 -4.785 -0.618 28 H ASP 16 H ASP 16 9.169 -8.351 -1.062 29 HA ASP 16 HA ASP 16 8.421 -9.160 -3.708 30 H ASN 17 H ASN 17 6.191 -9.184 -4.407 31 HA ASN 17 HA ASN 17 4.551 -7.816 -5.313 32 H GLY 18 H GLY 18 7.034 -6.401 -4.752 33 H GLN 19 H GLN 19 7.791 -2.062 -5.077 34 HA GLN 19 HA GLN 19 10.013 -3.187 -6.616 35 H LEU 20 H LEU 20 11.903 -2.101 -6.383 36 HA LEU 20 HA LEU 20 12.011 -0.030 -4.385 37 HG LEU 20 HG LEU 20 14.004 -0.876 -2.960 38 H ASP 21 H ASP 21 13.208 1.957 -4.690 39 HA ASP 21 HA ASP 21 13.161 2.977 -7.450 40 H ILE 22 H ILE 22 15.420 2.178 -7.209 41 HA ILE 22 HA ILE 22 17.202 3.404 -5.383 42 HB ILE 22 HB ILE 22 18.204 2.292 -7.964 43 H GLY 23 H GLY 23 17.097 5.612 -5.478 44 H GLY 24 H GLY 24 19.607 5.316 -6.170 45 H VAL 25 H VAL 25 23.550 5.037 -5.976 46 HA VAL 25 HA VAL 25 22.929 3.478 -3.552 47 HB VAL 25 HB VAL 25 24.088 1.577 -4.480 48 H ASP 26 H ASP 26 24.454 6.003 -3.902 49 HA ASP 26 HA ASP 26 27.204 5.231 -3.411 50 H PHE 27 H PHE 27 28.376 5.764 -1.519 51 HA PHE 27 HA PHE 27 27.240 5.036 0.879 52 HD1 PHE 27 HD1 PHE 27 27.947 5.672 3.281 53 HD2 PHE 27 HD2 PHE 27 31.171 4.203 0.919 54 HE1 PHE 27 HE1 PHE 27 28.561 4.115 5.084 55 HE2 PHE 27 HE2 PHE 27 31.783 2.639 2.717 56 HZ PHE 27 HZ PHE 27 30.476 2.591 4.803 57 H GLY 28 H GLY 28 25.347 6.003 1.443 58 H SER 29 H SER 29 24.014 6.647 0.031 59 HA SER 29 HA SER 29 22.051 8.606 -0.802 60 HG SER 29 HG SER 29 22.954 7.612 -3.785 61 H SER 30 H SER 30 19.965 7.030 -1.707 62 HA SER 30 HA SER 30 19.007 5.343 0.400 63 HG SER 30 HG SER 30 17.536 8.359 -0.906 64 H ILE 31 H ILE 31 17.402 4.012 -0.243 65 HA ILE 31 HA ILE 31 16.455 4.314 -3.015 66 HB ILE 31 HB ILE 31 15.868 1.782 -1.625 67 H THR 32 H THR 32 14.222 4.016 -3.487 68 HA THR 32 HA THR 32 12.484 4.471 -1.154 69 HB THR 32 HB THR 32 11.357 5.026 -3.811 70 HG1 THR 32 HG1 THR 32 12.630 6.718 -4.292 71 H TYR 33 H TYR 33 11.372 2.750 -0.533 72 HA TYR 33 HA TYR 33 10.862 0.589 -2.397 73 HD1 TYR 33 HD1 TYR 33 13.220 1.004 -0.117 74 HD2 TYR 33 HD2 TYR 33 10.721 -2.407 -0.552 75 HE1 TYR 33 HE1 TYR 33 15.213 -0.441 -0.182 76 HE2 TYR 33 HE2 TYR 33 12.705 -3.863 -0.616 77 HH TYR 33 HH TYR 33 15.947 -2.543 -0.740 78 H SER 34 H SER 34 8.882 -0.184 -3.022 79 HA SER 34 HA SER 34 6.447 1.079 -2.095 80 HG SER 34 HG SER 34 5.047 2.496 -4.550 81 H CYS 35 H CYS 35 4.507 0.029 -2.985 82 HA CYS 35 HA CYS 35 4.946 -2.812 -3.236 83 H ASN 36 H ASN 36 3.559 -4.037 -4.862 84 HA ASN 36 HA ASN 36 4.407 -3.300 -7.466 85 H SER 37 H SER 37 1.050 -4.209 -6.855 86 HA SER 37 HA SER 37 0.055 -1.622 -7.674 87 HG SER 37 HG SER 37 -0.334 -1.066 -9.595 88 H GLY 38 H GLY 38 -1.886 -1.221 -6.785 89 H TYR 39 H TYR 39 -1.113 -2.128 -4.515 90 HA TYR 39 HA TYR 39 -1.969 -3.777 -2.229 91 HD1 TYR 39 HD1 TYR 39 -1.861 -5.204 -4.140 92 HD2 TYR 39 HD2 TYR 39 1.647 -5.874 -1.833 93 HE1 TYR 39 HE1 TYR 39 -2.163 -7.624 -4.403 94 HE2 TYR 39 HE2 TYR 39 1.357 -8.302 -2.088 95 HH TYR 39 HH TYR 39 -1.302 -9.768 -2.841 96 H HIS 40 H HIS 40 -0.437 -3.152 -0.236 97 HA HIS 40 HA HIS 40 -0.166 -0.256 -0.061 98 HD1 HIS 40 HD1 HIS 40 -2.085 -0.703 4.139 99 HD2 HIS 40 HD2 HIS 40 -1.506 -3.929 1.590 100 HE1 HIS 40 HE1 HIS 40 -2.275 -2.749 5.590 101 HE2 HIS 40 HE2 HIS 40 -1.921 -4.691 4.025 102 H LEU 41 H LEU 41 1.849 0.049 0.498 103 HA LEU 41 HA LEU 41 3.363 -1.947 1.913 104 HG LEU 41 HG LEU 41 5.807 -1.098 2.347 105 H ILE 42 H ILE 42 3.676 -2.053 4.043 106 HA ILE 42 HA ILE 42 2.773 0.220 5.673 107 HB ILE 42 HB ILE 42 3.359 -2.416 6.928 108 H GLY 43 H GLY 43 3.944 0.573 7.724 109 H GLU 44 H GLU 44 8.509 0.588 7.291 110 HA GLU 44 HA GLU 44 8.595 3.358 6.457 111 H SER 45 H SER 45 10.157 3.581 4.395 112 HA SER 45 HA SER 45 9.471 1.765 2.251 113 HG SER 45 HG SER 45 9.125 5.339 2.652 114 H LYS 46 H LYS 46 11.866 3.138 3.663 115 HA LYS 46 HA LYS 46 13.229 3.724 1.160 116 H SER 47 H SER 47 15.203 2.955 1.038 117 HA SER 47 HA SER 47 16.471 1.800 3.421 118 HG SER 47 HG SER 47 18.174 -0.010 2.583 119 H TYR 48 H TYR 48 18.612 2.390 4.046 120 HA TYR 48 HA TYR 48 19.632 4.730 2.551 121 HD1 TYR 48 HD1 TYR 48 17.700 6.261 3.283 122 HD2 TYR 48 HD2 TYR 48 18.480 4.394 7.016 123 HE1 TYR 48 HE1 TYR 48 15.385 6.719 3.989 124 HE2 TYR 48 HE2 TYR 48 16.174 4.823 7.735 125 HH TYR 48 HH TYR 48 14.137 6.977 6.168 126 H CYS 49 H CYS 49 21.490 4.463 1.693 127 HA CYS 49 HA CYS 49 23.148 2.205 2.244 128 H GLU 50 H GLU 50 24.237 2.103 4.114 129 HA GLU 50 HA GLU 50 25.953 4.382 4.792 130 H LEU 51 H LEU 51 27.268 3.535 6.911 131 HA LEU 51 HA LEU 51 28.745 1.245 5.879 132 HG LEU 51 HG LEU 51 28.889 2.740 9.153 133 H GLY 52 H GLY 52 29.332 -0.542 7.151 134 H SER 53 H SER 53 29.327 -2.917 10.583 135 HA SER 53 HA SER 53 29.547 -0.891 12.673 136 HG SER 53 HG SER 53 29.420 -3.141 15.141 137 H THR 54 H THR 54 31.535 -2.971 10.673 138 HA THR 54 HA THR 54 33.954 -1.923 11.970 139 HB THR 54 HB THR 54 35.141 -3.738 10.788 140 HG1 THR 54 HG1 THR 54 33.754 -5.349 9.784 141 H GLY 55 H GLY 55 32.200 -0.484 10.030 142 H SER 56 H SER 56 31.744 -1.715 8.014 143 HA SER 56 HA SER 56 32.554 -2.285 5.319 144 HG SER 56 HG SER 56 31.881 -4.150 8.167 145 H MET 57 H MET 57 30.445 -3.031 3.942 146 HA MET 57 HA MET 57 28.894 -0.568 3.596 147 H VAL 58 H VAL 58 26.747 -0.568 3.853 148 HA VAL 58 HA VAL 58 25.231 -3.041 3.781 149 HB VAL 58 HB VAL 58 24.167 -2.385 6.036 150 H TRP 59 H TRP 59 22.845 -2.508 4.375 151 HA TRP 59 HA TRP 59 22.161 0.153 3.326 152 HD1 TRP 59 HD1 TRP 59 23.241 -2.728 0.793 153 HE1 TRP 59 HE1 TRP 59 23.848 -1.477 -1.373 154 HE3 TRP 59 HE3 TRP 59 19.990 1.208 1.185 155 HZ2 TRP 59 HZ2 TRP 59 23.056 0.872 -2.728 156 HZ3 TRP 59 HZ3 TRP 59 19.986 2.912 -0.587 157 HH2 TRP 59 HH2 TRP 59 21.482 2.744 -2.495 158 H ASN 60 H ASN 60 20.838 1.258 4.578 159 HA ASN 60 HA ASN 60 19.737 0.186 6.969 160 HA PRO 61 HA PRO 61 15.595 -1.296 6.692 161 H GLU 62 H GLU 62 15.829 -2.167 4.628 162 HA GLU 62 HA GLU 62 15.198 -0.501 2.333 163 H ALA 63 H ALA 63 14.189 -3.849 2.951 164 HA ALA 63 HA ALA 63 11.718 -3.349 1.572 165 HA PRO 64 HA PRO 64 9.500 -2.871 5.499 166 H ILE 65 H ILE 65 6.655 -2.678 5.251 167 HA ILE 65 HA ILE 65 6.034 -5.441 4.632 168 HB ILE 65 HB ILE 65 3.959 -3.477 5.458 169 H CYS 66 H CYS 66 4.032 -5.942 3.407 170 HA CYS 66 HA CYS 66 2.938 -4.061 1.583 171 H GLU 67 H GLU 67 0.961 -4.742 1.043 172 HA GLU 67 HA GLU 67 0.391 -7.564 0.699 173 H SER 68 H SER 68 -1.978 -7.876 0.116 174 HA SER 68 HA SER 68 -2.687 -5.860 -1.834 175 HG SER 68 HG SER 68 -5.052 -9.093 -1.576 176 H VAL 69 H VAL 69 -4.027 -4.271 -1.482 177 HA VAL 69 HA VAL 69 -5.139 -3.539 0.872 178 HB VAL 69 HB VAL 69 -6.752 -2.168 -0.415 179 H LYS 70 H LYS 70 -6.260 -4.966 2.090 180 HA LYS 70 HA LYS 70 -8.554 -6.352 0.924 181 H CYS 71 H CYS 71 -10.192 -4.915 0.704 182 HA CYS 71 HA CYS 71 -10.820 -3.115 2.918 183 H GLN 72 H GLN 72 -12.143 -3.762 4.419 184 HA GLN 72 HA GLN 72 -13.762 -6.094 4.179 185 H SER 73 H SER 73 -16.087 -5.365 5.516 186 HA SER 73 HA SER 73 -17.885 -4.922 3.588 187 HG SER 73 HG SER 73 -17.052 -4.250 7.050 188 HA PRO 74 HA PRO 74 -17.182 -0.825 2.018 189 HA PRO 75 HA PRO 75 -18.064 2.389 4.872 190 H SER 76 H SER 76 -19.720 3.295 6.207 191 HA SER 76 HA SER 76 -22.211 1.727 6.169 192 HG SER 76 HG SER 76 -22.731 2.154 9.504 193 H ILE 77 H ILE 77 -23.334 3.122 4.781 194 HA ILE 77 HA ILE 77 -23.488 5.922 5.183 195 HB ILE 77 HB ILE 77 -25.303 5.921 3.580 196 H SER 78 H SER 78 -25.746 6.966 5.417 197 HA SER 78 HA SER 78 -26.829 6.029 7.959 198 HG SER 78 HG SER 78 -25.439 8.001 8.386 199 H ASN 79 H ASN 79 -28.949 5.476 8.285 200 HA ASN 79 HA ASN 79 -30.975 4.580 7.775 201 H GLY 80 H GLY 80 -28.581 3.418 6.575 202 H ARG 81 H ARG 81 -27.802 0.633 3.334 203 HA ARG 81 HA ARG 81 -25.426 0.241 4.831 204 HE ARG 81 HE ARG 81 -28.729 -4.809 6.206 205 1HH1 ARG 81 1HH1 ARG 81 -30.565 -1.998 5.278 206 1HH2 ARG 81 1HH2 ARG 81 -30.412 -6.024 5.261 207 H HIS 82 H HIS 82 -24.444 -2.043 3.968 208 HA HIS 82 HA HIS 82 -24.615 -1.814 1.044 209 HD1 HIS 82 HD1 HIS 82 -22.643 -4.917 3.104 210 HD2 HIS 82 HD2 HIS 82 -21.283 -1.150 4.213 211 HE1 HIS 82 HE1 HIS 82 -21.534 -5.234 5.339 212 HE2 HIS 82 HE2 HIS 82 -20.718 -2.941 5.992 213 H ASN 83 H ASN 83 -23.974 -3.941 -0.098 214 HA ASN 83 HA ASN 83 -25.639 -6.072 1.053 215 H GLY 84 H GLY 84 -23.229 -6.470 -1.493 216 H TYR 85 H TYR 85 -20.616 -9.936 -1.309 217 HA TYR 85 HA TYR 85 -22.545 -11.685 0.057 218 HD1 TYR 85 HD1 TYR 85 -23.479 -10.503 -2.258 219 HD2 TYR 85 HD2 TYR 85 -20.246 -12.602 -4.058 220 HE1 TYR 85 HE1 TYR 85 -23.792 -9.204 -4.323 221 HE2 TYR 85 HE2 TYR 85 -20.549 -11.310 -6.126 222 HH TYR 85 HH TYR 85 -22.599 -8.550 -6.288 223 H GLU 86 H GLU 86 -19.180 -10.920 -0.398 224 HA GLU 86 HA GLU 86 -18.341 -13.012 1.443 225 H ASP 87 H ASP 87 -16.252 -11.954 2.757 226 HA ASP 87 HA ASP 87 -17.521 -9.928 4.463 227 H PHE 88 H PHE 88 -14.810 -10.547 2.431 228 HA PHE 88 HA PHE 88 -13.736 -7.895 3.112 229 HD1 PHE 88 HD1 PHE 88 -12.814 -10.685 5.311 230 HD2 PHE 88 HD2 PHE 88 -10.730 -7.340 3.716 231 HE1 PHE 88 HE1 PHE 88 -12.097 -10.057 7.578 232 HE2 PHE 88 HE2 PHE 88 -10.009 -6.705 5.974 233 HZ PHE 88 HZ PHE 88 -10.690 -8.062 7.915 234 H TYR 89 H TYR 89 -12.205 -7.111 1.328 235 HA TYR 89 HA TYR 89 -12.858 -8.061 -1.336 236 HD1 TYR 89 HD1 TYR 89 -15.078 -5.827 1.293 237 HD2 TYR 89 HD2 TYR 89 -15.525 -7.429 -2.622 238 HE1 TYR 89 HE1 TYR 89 -17.360 -6.545 1.853 239 HE2 TYR 89 HE2 TYR 89 -17.808 -8.154 -2.071 240 HH TYR 89 HH TYR 89 -18.977 -8.320 1.046 241 H THR 90 H THR 90 -11.619 -6.852 -3.023 242 HA THR 90 HA THR 90 -9.298 -5.403 -2.018 243 HB THR 90 HB THR 90 -7.865 -6.913 -3.553 244 HG1 THR 90 HG1 THR 90 -8.668 -8.934 -3.917 245 H ASP 91 H ASP 91 -7.787 -5.071 -4.136 246 HA ASP 91 HA ASP 91 -8.987 -3.128 -5.639 247 H GLY 92 H GLY 92 -10.929 -3.631 -6.481 248 H SER 93 H SER 93 -12.691 -4.364 -5.978 249 HA SER 93 HA SER 93 -14.725 -6.413 -6.560 250 HG SER 93 HG SER 93 -12.547 -7.028 -4.909 251 H VAL 94 H VAL 94 -16.929 -5.972 -6.073 252 HA VAL 94 HA VAL 94 -17.598 -3.129 -5.778 253 HB VAL 94 HB VAL 94 -18.804 -5.000 -7.820 254 H VAL 95 H VAL 95 -19.713 -2.707 -4.970 255 HA VAL 95 HA VAL 95 -21.239 -4.953 -3.910 256 HB VAL 95 HB VAL 95 -20.341 -2.764 -2.048 257 H THR 96 H THR 96 -23.381 -4.459 -3.456 258 HA THR 96 HA THR 96 -24.279 -1.873 -4.501 259 HB THR 96 HB THR 96 -26.543 -3.415 -4.107 260 HG1 THR 96 HG1 THR 96 -24.451 -5.081 -5.053 261 H TYR 97 H TYR 97 -25.409 -0.451 -3.299 262 HA TYR 97 HA TYR 97 -25.557 -1.002 -0.435 263 HD1 TYR 97 HD1 TYR 97 -23.160 -0.322 -1.649 264 HD2 TYR 97 HD2 TYR 97 -24.773 2.605 0.975 265 HE1 TYR 97 HE1 TYR 97 -20.989 -0.156 -0.518 266 HE2 TYR 97 HE2 TYR 97 -22.599 2.786 2.115 267 HH TYR 97 HH TYR 97 -20.563 1.808 2.370 268 H SER 98 H SER 98 -27.421 -0.270 0.782 269 HA SER 98 HA SER 98 -29.900 0.162 -0.637 270 HG SER 98 HG SER 98 -29.606 -3.398 1.268 271 H CYS 99 H CYS 99 -31.490 1.045 0.626 272 HA CYS 99 HA CYS 99 -30.678 2.180 3.113 273 H ASN 100 H ASN 100 -32.158 2.043 5.073 274 HA ASN 100 HA ASN 100 -32.663 -0.794 5.616 275 H SER 101 H SER 101 -34.148 1.934 7.270 276 HA SER 101 HA SER 101 -36.631 0.849 7.609 277 HG SER 101 HG SER 101 -38.373 2.774 7.810 278 H GLY 102 H GLY 102 -35.346 2.316 4.714 279 H TYR 103 H TYR 103 -34.786 3.488 3.133 280 HA TYR 103 HA TYR 103 -36.029 5.915 2.194 281 HD1 TYR 103 HD1 TYR 103 -34.389 4.843 5.237 282 HD2 TYR 103 HD2 TYR 103 -34.342 8.557 3.159 283 HE1 TYR 103 HE1 TYR 103 -34.972 6.010 7.321 284 HE2 TYR 103 HE2 TYR 103 -34.925 9.733 5.237 285 HH TYR 103 HH TYR 103 -34.530 8.672 8.126 286 H SER 104 H SER 104 -34.315 7.009 0.437 287 HA SER 104 HA SER 104 -34.562 5.237 -1.889 288 HG SER 104 HG SER 104 -36.640 8.129 -2.215 289 H LEU 105 H LEU 105 -32.674 4.264 -2.229 290 HA LEU 105 HA LEU 105 -30.139 4.986 -1.547 291 HG LEU 105 HG LEU 105 -29.300 1.815 -2.993 292 H ILE 106 H ILE 106 -29.089 6.801 -1.901 293 HA ILE 106 HA ILE 106 -29.666 8.441 -4.218 294 HB ILE 106 HB ILE 106 -27.782 8.875 -1.909 295 H GLY 107 H GLY 107 -27.988 9.216 -5.632 296 H ASN 108 H ASN 108 -24.502 6.357 -6.317 297 HA ASN 108 HA ASN 108 -26.254 4.412 -7.663 298 H SER 109 H SER 109 -26.518 2.447 -6.809 299 HA SER 109 HA SER 109 -25.869 2.001 -4.091 300 HG SER 109 HG SER 109 -27.067 -0.626 -6.781 301 H GLY 110 H GLY 110 -24.335 1.234 -7.092 302 H VAL 111 H VAL 111 -20.568 -0.822 -5.415 303 HA VAL 111 HA VAL 111 -19.220 1.765 -5.136 304 HB VAL 111 HB VAL 111 -19.214 -0.181 -2.873 305 H LEU 112 H LEU 112 -17.249 1.610 -5.976 306 HA LEU 112 HA LEU 112 -16.086 -0.951 -6.553 307 HG LEU 112 HG LEU 112 -13.470 0.853 -8.579 308 H CYS 113 H CYS 113 -14.455 -1.976 -5.557 309 HA CYS 113 HA CYS 113 -13.319 -0.712 -3.157 310 H SER 114 H SER 114 -11.393 0.199 -3.690 311 HA SER 114 HA SER 114 -9.298 -1.465 -4.718 312 HG SER 114 HG SER 114 -10.764 -0.678 -7.905 313 H GLY 115 H GLY 115 -7.511 -0.930 -3.686 314 H GLY 116 H GLY 116 -7.846 -0.913 -1.449 315 H GLU 117 H GLU 117 -9.658 0.795 -0.971 316 HA GLU 117 HA GLU 117 -11.344 1.764 1.194 317 H TRP 118 H TRP 118 -13.227 3.084 0.105 318 HA TRP 118 HA TRP 118 -14.154 1.549 -2.226 319 HD1 TRP 118 HD1 TRP 118 -14.466 0.757 1.781 320 HE1 TRP 118 HE1 TRP 118 -14.648 -1.803 1.957 321 HE3 TRP 118 HE3 TRP 118 -16.770 -0.211 -2.679 322 HZ2 TRP 118 HZ2 TRP 118 -15.628 -3.940 0.416 323 HZ3 TRP 118 HZ3 TRP 118 -17.303 -2.546 -3.248 324 HH2 TRP 118 HH2 TRP 118 -16.738 -4.374 -1.729 325 H SER 119 H SER 119 -15.272 2.666 -3.827 326 HA SER 119 HA SER 119 -15.365 5.591 -3.517 327 HG SER 119 HG SER 119 -12.642 4.160 -5.389 328 H ASP 120 H ASP 120 -16.982 6.692 -4.640 329 HA ASP 120 HA ASP 120 -19.009 7.048 -5.596 330 HA PRO 121 HA PRO 121 -20.966 4.384 -2.203 331 HA PRO 122 HA PRO 122 -24.513 7.009 -2.916 332 H THR 123 H THR 123 -26.753 7.202 -1.740 333 HA THR 123 HA THR 123 -26.369 7.368 1.166 334 HB THR 123 HB THR 123 -27.915 9.606 0.084 335 HG1 THR 123 HG1 THR 123 -25.176 9.330 -0.572 336 H CYS 124 H CYS 124 -28.730 8.348 1.969 337 HA CYS 124 HA CYS 124 -30.828 6.893 0.561 338 H GLN 125 H GLN 125 -31.898 8.765 0.097 339 HA GLN 125 HA GLN 125 -32.882 10.308 2.400 340 H ILE 126 H ILE 126 -35.014 11.310 2.048 341 HA ILE 126 HA ILE 126 -36.831 9.365 0.845 342 HB ILE 126 HB ILE 126 -37.400 11.723 2.645 No H/Q in entry = 342 Start of MODEL 2 1 H ARG 7 H ARG 7 -33.643 3.145 1.476 2 HA ARG 7 HA ARG 7 -33.127 0.824 3.198 3 HE ARG 7 HE ARG 7 -33.410 -2.191 2.585 4 2HH1 ARG 7 2HH1 ARG 7 -34.906 -0.169 5.700 5 1HH2 ARG 7 1HH2 ARG 7 -32.264 -2.153 4.556 6 H ARG 8 H ARG 8 -31.056 0.960 3.859 7 HA ARG 8 HA ARG 8 -28.951 1.728 2.012 8 HE ARG 8 HE ARG 8 -26.833 -1.609 6.244 9 1HH1 ARG 8 1HH1 ARG 8 -28.894 0.590 7.989 10 1HH2 ARG 8 1HH2 ARG 8 -27.389 -3.144 7.839 11 H CYS 9 H CYS 9 -26.890 0.386 2.165 12 HA CYS 9 HA CYS 9 -27.515 -2.291 1.283 13 HA PRO 10 HA PRO 10 -26.215 -4.271 5.042 14 H SER 11 H SER 11 -24.298 -5.479 6.160 15 HA SER 11 HA SER 11 -22.222 -3.747 6.604 16 HG SER 11 HG SER 11 -20.485 -6.464 8.254 17 HA PRO 12 HA PRO 12 -20.297 -3.833 2.496 18 H ARG 13 H ARG 13 -18.194 -4.604 1.677 19 HA ARG 13 HA ARG 13 -17.433 -7.084 2.904 20 HE ARG 13 HE ARG 13 -19.067 -9.249 0.235 21 1HH1 ARG 13 1HH1 ARG 13 -15.798 -10.393 0.581 22 1HH2 ARG 13 1HH2 ARG 13 -19.685 -11.170 1.296 23 H ASP 14 H ASP 14 -14.825 -7.357 2.780 24 HA ASP 14 HA ASP 14 -13.627 -5.129 4.252 25 H ILE 15 H ILE 15 -11.252 -5.900 4.844 26 HA ILE 15 HA ILE 15 -10.004 -7.307 2.620 27 HB ILE 15 HB ILE 15 -10.119 -4.968 1.870 28 H ASP 16 H ASP 16 -8.006 -8.180 3.132 29 HA ASP 16 HA ASP 16 -7.506 -8.525 5.925 30 H ASN 17 H ASN 17 -5.309 -7.453 3.325 31 HA ASN 17 HA ASN 17 -3.643 -6.144 5.317 32 H GLY 18 H GLY 18 -6.073 -4.927 5.163 33 H GLN 19 H GLN 19 -7.139 -0.681 4.738 34 HA GLN 19 HA GLN 19 -9.079 -1.632 6.726 35 H LEU 20 H LEU 20 -11.114 -0.966 6.342 36 HA LEU 20 HA LEU 20 -11.603 0.589 3.978 37 HG LEU 20 HG LEU 20 -13.148 -1.073 2.912 38 H ASP 21 H ASP 21 -13.135 2.357 3.918 39 HA ASP 21 HA ASP 21 -13.187 3.983 6.366 40 H ILE 22 H ILE 22 -15.345 3.117 6.536 41 HA ILE 22 HA ILE 22 -17.291 3.515 4.516 42 HB ILE 22 HB ILE 22 -17.709 3.050 7.468 43 H GLY 23 H GLY 23 -18.162 5.324 3.887 44 H GLY 24 H GLY 24 -20.256 5.229 4.468 45 H VAL 25 H VAL 25 -23.944 4.523 4.623 46 HA VAL 25 HA VAL 25 -23.220 2.267 2.879 47 HB VAL 25 HB VAL 25 -24.460 0.842 4.490 48 H ASP 26 H ASP 26 -25.509 4.695 3.191 49 HA ASP 26 HA ASP 26 -27.872 3.261 2.530 50 H PHE 27 H PHE 27 -29.043 3.399 0.503 51 HA PHE 27 HA PHE 27 -27.634 2.490 -1.680 52 HD1 PHE 27 HD1 PHE 27 -27.885 2.102 -3.708 53 HD2 PHE 27 HD2 PHE 27 -31.651 4.074 -3.521 54 HE1 PHE 27 HE1 PHE 27 -28.042 2.024 -6.163 55 HE2 PHE 27 HE2 PHE 27 -31.816 4.001 -5.975 56 HZ PHE 27 HZ PHE 27 -30.010 2.975 -7.299 57 H GLY 28 H GLY 28 -26.128 3.425 -2.852 58 H SER 29 H SER 29 -24.840 4.555 -1.323 59 HA SER 29 HA SER 29 -22.981 6.754 -0.996 60 HG SER 29 HG SER 29 -24.483 6.781 1.279 61 H SER 30 H SER 30 -20.678 6.211 -0.356 62 HA SER 30 HA SER 30 -19.654 3.860 -1.760 63 HG SER 30 HG SER 30 -18.446 7.562 -2.861 64 H ILE 31 H ILE 31 -17.691 3.082 -1.015 65 HA ILE 31 HA ILE 31 -16.848 4.196 1.576 66 HB ILE 31 HB ILE 31 -15.913 1.494 0.826 67 H THR 32 H THR 32 -14.467 3.648 2.085 68 HA THR 32 HA THR 32 -12.816 3.994 -0.321 69 HB THR 32 HB THR 32 -11.779 5.344 2.061 70 HG1 THR 32 HG1 THR 32 -13.297 6.816 2.289 71 H TYR 33 H TYR 33 -11.477 2.348 -0.507 72 HA TYR 33 HA TYR 33 -10.700 0.870 1.888 73 HD1 TYR 33 HD1 TYR 33 -13.204 0.457 -0.085 74 HD2 TYR 33 HD2 TYR 33 -10.404 -2.572 0.932 75 HE1 TYR 33 HE1 TYR 33 -15.057 -1.016 0.597 76 HE2 TYR 33 HE2 TYR 33 -12.244 -4.062 1.609 77 HH TYR 33 HH TYR 33 -14.521 -4.372 1.437 78 H SER 34 H SER 34 -8.613 0.464 2.497 79 HA SER 34 HA SER 34 -6.425 1.727 1.056 80 HG SER 34 HG SER 34 -6.395 2.716 4.901 81 H CYS 35 H CYS 35 -4.305 1.108 1.961 82 HA CYS 35 HA CYS 35 -4.363 -1.668 2.742 83 H ASN 36 H ASN 36 -2.673 -2.378 4.434 84 HA ASN 36 HA ASN 36 -3.520 -1.415 6.929 85 H SER 37 H SER 37 -0.071 -1.481 6.121 86 HA SER 37 HA SER 37 0.267 1.341 6.411 87 HG SER 37 HG SER 37 -0.193 1.238 9.752 88 H GLY 38 H GLY 38 1.801 1.757 4.987 89 H TYR 39 H TYR 39 1.448 -0.521 3.775 90 HA TYR 39 HA TYR 39 2.568 -2.105 1.656 91 HD1 TYR 39 HD1 TYR 39 2.555 -2.984 3.986 92 HD2 TYR 39 HD2 TYR 39 -0.647 -4.752 1.810 93 HE1 TYR 39 HE1 TYR 39 3.181 -5.192 4.873 94 HE2 TYR 39 HE2 TYR 39 -0.031 -6.965 2.692 95 HH TYR 39 HH TYR 39 2.298 -7.354 5.226 96 H HIS 40 H HIS 40 0.753 -2.216 -0.307 97 HA HIS 40 HA HIS 40 0.152 0.487 -1.188 98 HD1 HIS 40 HD1 HIS 40 2.194 -0.939 -5.223 99 HD2 HIS 40 HD2 HIS 40 1.672 -3.302 -1.848 100 HE1 HIS 40 HE1 HIS 40 2.599 -3.301 -5.986 101 HE2 HIS 40 HE2 HIS 40 2.278 -4.715 -3.927 102 H LEU 41 H LEU 41 -1.925 0.385 -1.569 103 HA LEU 41 HA LEU 41 -3.264 -2.062 -2.208 104 HG LEU 41 HG LEU 41 -5.671 -1.488 -3.050 105 H ILE 42 H ILE 42 -3.541 -2.890 -4.167 106 HA ILE 42 HA ILE 42 -3.151 -1.119 -6.480 107 HB ILE 42 HB ILE 42 -3.239 -4.070 -6.842 108 H GLY 43 H GLY 43 -4.579 -1.148 -8.198 109 H GLU 44 H GLU 44 -8.983 -1.966 -7.376 110 HA GLU 44 HA GLU 44 -9.707 0.783 -7.460 111 H SER 45 H SER 45 -10.977 1.559 -5.393 112 HA SER 45 HA SER 45 -9.718 1.025 -2.864 113 HG SER 45 HG SER 45 -8.605 3.511 -5.412 114 H LYS 46 H LYS 46 -12.429 1.218 -4.202 115 HA LYS 46 HA LYS 46 -13.753 2.579 -2.036 116 H SER 47 H SER 47 -15.623 1.607 -1.590 117 HA SER 47 HA SER 47 -16.773 -0.271 -3.538 118 HG SER 47 HG SER 47 -18.261 -2.165 -1.525 119 H TYR 48 H TYR 48 -18.824 0.058 -4.399 120 HA TYR 48 HA TYR 48 -20.093 2.566 -3.451 121 HD1 TYR 48 HD1 TYR 48 -18.261 3.854 -4.639 122 HD2 TYR 48 HD2 TYR 48 -19.140 1.151 -7.796 123 HE1 TYR 48 HE1 TYR 48 -16.033 4.258 -5.600 124 HE2 TYR 48 HE2 TYR 48 -16.917 1.524 -8.760 125 HH TYR 48 HH TYR 48 -14.453 2.548 -7.366 126 H CYS 49 H CYS 49 -21.868 2.383 -2.396 127 HA CYS 49 HA CYS 49 -23.380 -0.038 -2.269 128 H GLU 50 H GLU 50 -23.638 -0.107 -4.624 129 HA GLU 50 HA GLU 50 -25.672 1.689 -5.698 130 H LEU 51 H LEU 51 -27.251 0.563 -7.237 131 HA LEU 51 HA LEU 51 -28.809 -1.249 -5.611 132 HG LEU 51 HG LEU 51 -28.670 -0.618 -9.143 133 H GLY 52 H GLY 52 -29.525 -3.306 -6.222 134 H SER 53 H SER 53 -30.366 -6.364 -8.406 135 HA SER 53 HA SER 53 -30.493 -5.206 -11.113 136 HG SER 53 HG SER 53 -31.279 -8.218 -12.575 137 H THR 54 H THR 54 -32.319 -6.448 -8.396 138 HA THR 54 HA THR 54 -34.833 -5.788 -9.759 139 HB THR 54 HB THR 54 -35.831 -6.961 -7.698 140 HG1 THR 54 HG1 THR 54 -34.511 -7.886 -6.344 141 H GLY 55 H GLY 55 -33.054 -3.736 -8.769 142 H SER 56 H SER 56 -32.388 -4.231 -6.379 143 HA SER 56 HA SER 56 -32.903 -3.637 -3.596 144 HG SER 56 HG SER 56 -32.459 -6.573 -2.762 145 H MET 57 H MET 57 -30.448 -4.175 -2.445 146 HA MET 57 HA MET 57 -28.806 -1.891 -3.313 147 H VAL 58 H VAL 58 -26.686 -2.238 -3.620 148 HA VAL 58 HA VAL 58 -25.461 -4.690 -2.617 149 HB VAL 58 HB VAL 58 -24.354 -4.861 -4.980 150 H TRP 59 H TRP 59 -23.055 -4.686 -3.111 151 HA TRP 59 HA TRP 59 -22.051 -1.931 -2.856 152 HD1 TRP 59 HD1 TRP 59 -22.958 -4.364 0.476 153 HE1 TRP 59 HE1 TRP 59 -23.488 -2.634 2.294 154 HE3 TRP 59 HE3 TRP 59 -20.230 -0.420 -1.322 155 HZ2 TRP 59 HZ2 TRP 59 -22.858 0.056 2.884 156 HZ3 TRP 59 HZ3 TRP 59 -20.251 1.696 -0.062 157 HH2 TRP 59 HH2 TRP 59 -21.538 1.924 1.986 158 H ASN 60 H ASN 60 -20.928 -1.281 -4.532 159 HA ASN 60 HA ASN 60 -19.817 -3.014 -6.507 160 HA PRO 61 HA PRO 61 -15.586 -4.055 -5.939 161 H GLU 62 H GLU 62 -15.587 -4.422 -3.789 162 HA GLU 62 HA GLU 62 -15.249 -2.209 -1.943 163 H ALA 63 H ALA 63 -13.762 -5.436 -2.041 164 HA ALA 63 HA ALA 63 -11.395 -4.288 -0.785 165 HA PRO 64 HA PRO 64 -9.852 -5.021 -5.142 166 H ILE 65 H ILE 65 -7.037 -4.307 -5.204 167 HA ILE 65 HA ILE 65 -6.005 -6.562 -3.704 168 HB ILE 65 HB ILE 65 -4.333 -4.848 -5.474 169 H CYS 66 H CYS 66 -3.878 -6.397 -2.660 170 HA CYS 66 HA CYS 66 -2.844 -3.915 -1.742 171 H GLU 67 H GLU 67 -0.745 -4.305 -1.575 172 HA GLU 67 HA GLU 67 0.126 -6.895 -0.493 173 H SER 68 H SER 68 2.609 -6.793 -0.108 174 HA SER 68 HA SER 68 3.086 -4.382 1.480 175 HG SER 68 HG SER 68 5.275 -7.755 1.958 176 H VAL 69 H VAL 69 4.439 -2.875 0.781 177 HA VAL 69 HA VAL 69 5.673 -2.796 -1.651 178 HB VAL 69 HB VAL 69 7.151 -1.044 -0.747 179 H LYS 70 H LYS 70 6.895 -4.454 -2.342 180 HA LYS 70 HA LYS 70 9.023 -5.482 -0.636 181 H CYS 71 H CYS 71 10.735 -4.110 -0.669 182 HA CYS 71 HA CYS 71 11.700 -2.934 -3.130 183 H GLN 72 H GLN 72 13.229 -3.846 -4.428 184 HA GLN 72 HA GLN 72 13.964 -6.532 -3.943 185 H SER 73 H SER 73 16.521 -6.903 -4.500 186 HA SER 73 HA SER 73 17.757 -6.298 -2.059 187 HG SER 73 HG SER 73 20.345 -6.745 -2.569 188 HA PRO 74 HA PRO 74 19.079 -1.948 -2.768 189 HA PRO 75 HA PRO 75 20.885 -0.379 -2.084 190 H SER 76 H SER 76 20.722 1.829 -3.386 191 HA SER 76 HA SER 76 19.374 1.476 -5.949 192 HG SER 76 HG SER 76 16.534 2.905 -5.603 193 H ILE 77 H ILE 77 22.000 2.467 -4.706 194 HA ILE 77 HA ILE 77 22.020 5.224 -5.678 195 HB ILE 77 HB ILE 77 23.895 5.600 -4.263 196 H SER 78 H SER 78 24.849 5.374 -5.948 197 HA SER 78 HA SER 78 25.424 3.504 -8.134 198 HG SER 78 HG SER 78 24.393 6.925 -9.327 199 H ASN 79 H ASN 79 27.443 2.714 -8.160 200 HA ASN 79 HA ASN 79 29.600 2.309 -7.576 201 H GLY 80 H GLY 80 27.313 1.728 -5.833 202 H ARG 81 H ARG 81 27.288 0.048 -1.759 203 HA ARG 81 HA ARG 81 25.629 -1.892 -3.142 204 HE ARG 81 HE ARG 81 27.157 -4.791 -4.536 205 1HH1 ARG 81 1HH1 ARG 81 30.442 -5.942 -4.391 206 1HH2 ARG 81 1HH2 ARG 81 26.636 -6.856 -5.343 207 H HIS 82 H HIS 82 25.435 -3.817 -1.303 208 HA HIS 82 HA HIS 82 24.661 -2.521 1.216 209 HD1 HIS 82 HD1 HIS 82 23.591 -4.433 -2.370 210 HD2 HIS 82 HD2 HIS 82 21.710 -6.148 0.915 211 HE1 HIS 82 HE1 HIS 82 22.872 -6.723 -3.126 212 HE2 HIS 82 HE2 HIS 82 21.736 -7.743 -1.121 213 H ASN 83 H ASN 83 23.729 -4.394 2.685 214 HA ASN 83 HA ASN 83 25.501 -6.735 2.474 215 H GLY 84 H GLY 84 22.773 -5.696 4.524 216 H TYR 85 H TYR 85 19.549 -8.858 4.949 217 HA TYR 85 HA TYR 85 21.401 -11.131 5.169 218 HD1 TYR 85 HD1 TYR 85 21.747 -9.110 7.277 219 HD2 TYR 85 HD2 TYR 85 17.665 -10.100 7.949 220 HE1 TYR 85 HE1 TYR 85 21.478 -7.065 8.616 221 HE2 TYR 85 HE2 TYR 85 17.384 -8.059 9.291 222 HH TYR 85 HH TYR 85 19.421 -5.525 9.234 223 H GLU 86 H GLU 86 18.328 -9.980 4.025 224 HA GLU 86 HA GLU 86 17.684 -12.602 2.900 225 H ASP 87 H ASP 87 16.189 -12.083 0.785 226 HA ASP 87 HA ASP 87 18.037 -10.795 -1.093 227 H PHE 88 H PHE 88 14.846 -10.667 0.214 228 HA PHE 88 HA PHE 88 14.342 -8.215 -1.326 229 HD1 PHE 88 HD1 PHE 88 14.004 -11.037 -3.065 230 HD2 PHE 88 HD2 PHE 88 11.228 -7.831 -2.740 231 HE1 PHE 88 HE1 PHE 88 13.921 -10.868 -5.514 232 HE2 PHE 88 HE2 PHE 88 11.137 -7.655 -5.182 233 HZ PHE 88 HZ PHE 88 12.484 -9.173 -6.583 234 H TYR 89 H TYR 89 12.415 -6.988 -0.199 235 HA TYR 89 HA TYR 89 12.628 -7.201 2.711 236 HD1 TYR 89 HD1 TYR 89 14.933 -5.963 -0.152 237 HD2 TYR 89 HD2 TYR 89 15.108 -5.563 4.080 238 HE1 TYR 89 HE1 TYR 89 17.316 -6.565 -0.196 239 HE2 TYR 89 HE2 TYR 89 17.488 -6.179 4.044 240 HH TYR 89 HH TYR 89 19.062 -7.271 1.109 241 H THR 90 H THR 90 11.214 -5.271 3.681 242 HA THR 90 HA THR 90 8.773 -4.980 2.085 243 HB THR 90 HB THR 90 7.452 -5.558 4.174 244 HG1 THR 90 HG1 THR 90 9.469 -5.440 5.491 245 H ASP 91 H ASP 91 7.120 -3.686 3.575 246 HA ASP 91 HA ASP 91 8.056 -1.085 3.727 247 H GLY 92 H GLY 92 9.835 -0.793 4.945 248 H SER 93 H SER 93 11.844 -1.423 5.311 249 HA SER 93 HA SER 93 13.391 -3.025 7.241 250 HG SER 93 HG SER 93 11.736 -4.459 5.428 251 H VAL 94 H VAL 94 15.719 -2.878 7.204 252 HA VAL 94 HA VAL 94 16.767 -0.395 6.046 253 HB VAL 94 HB VAL 94 17.120 -1.267 8.913 254 H VAL 95 H VAL 95 18.922 -0.398 5.482 255 HA VAL 95 HA VAL 95 20.527 -2.778 6.023 256 HB VAL 95 HB VAL 95 20.374 -1.948 3.162 257 H THR 96 H THR 96 22.683 -2.372 6.078 258 HA THR 96 HA THR 96 23.539 0.395 5.724 259 HB THR 96 HB THR 96 25.738 -1.202 6.480 260 HG1 THR 96 HG1 THR 96 24.817 -2.214 8.357 261 H TYR 97 H TYR 97 24.767 1.091 4.055 262 HA TYR 97 HA TYR 97 25.318 -0.876 1.972 263 HD1 TYR 97 HD1 TYR 97 23.008 -0.148 2.684 264 HD2 TYR 97 HD2 TYR 97 23.902 1.949 -0.909 265 HE1 TYR 97 HE1 TYR 97 20.721 -0.505 1.924 266 HE2 TYR 97 HE2 TYR 97 21.613 1.577 -1.664 267 HH TYR 97 HH TYR 97 19.336 -0.401 0.139 268 H SER 98 H SER 98 27.216 -1.012 0.839 269 HA SER 98 HA SER 98 29.555 0.340 2.013 270 HG SER 98 HG SER 98 28.402 -2.774 0.857 271 H CYS 99 H CYS 99 31.055 1.086 0.552 272 HA CYS 99 HA CYS 99 30.176 1.431 -2.097 273 H ASN 100 H ASN 100 30.787 0.583 -4.005 274 HA ASN 100 HA ASN 100 31.519 -2.080 -4.159 275 H SER 101 H SER 101 33.596 0.201 -5.866 276 HA SER 101 HA SER 101 35.853 -1.474 -5.578 277 HG SER 101 HG SER 101 36.475 -1.007 -7.982 278 H GLY 102 H GLY 102 34.599 0.963 -3.543 279 H TYR 103 H TYR 103 34.191 2.740 -3.008 280 HA TYR 103 HA TYR 103 35.268 5.339 -2.756 281 HD1 TYR 103 HD1 TYR 103 34.333 7.232 -4.464 282 HD2 TYR 103 HD2 TYR 103 32.865 3.354 -5.415 283 HE1 TYR 103 HE1 TYR 103 34.892 7.606 -6.831 284 HE2 TYR 103 HE2 TYR 103 33.420 3.717 -7.783 285 HH TYR 103 HH TYR 103 35.441 6.074 -8.858 286 H SER 104 H SER 104 33.447 6.896 -1.515 287 HA SER 104 HA SER 104 33.666 6.036 1.279 288 HG SER 104 HG SER 104 32.992 9.269 -0.486 289 H LEU 105 H LEU 105 31.824 5.209 1.964 290 HA LEU 105 HA LEU 105 29.277 5.499 0.959 291 HG LEU 105 HG LEU 105 28.581 2.919 3.361 292 H ILE 106 H ILE 106 28.444 7.445 0.506 293 HA ILE 106 HA ILE 106 28.830 9.705 2.253 294 HB ILE 106 HB ILE 106 27.166 9.438 -0.242 295 H GLY 107 H GLY 107 27.094 10.930 3.153 296 H ASN 108 H ASN 108 23.315 8.637 4.261 297 HA ASN 108 HA ASN 108 24.610 7.180 6.433 298 H SER 109 H SER 109 25.064 5.102 6.307 299 HA SER 109 HA SER 109 24.814 3.669 3.842 300 HG SER 109 HG SER 109 27.362 3.809 5.957 301 H GLY 110 H GLY 110 23.052 3.972 6.822 302 H VAL 111 H VAL 111 19.794 1.405 5.112 303 HA VAL 111 HA VAL 111 18.569 3.719 3.761 304 HB VAL 111 HB VAL 111 19.218 1.049 2.557 305 H LEU 112 H LEU 112 16.418 3.820 3.983 306 HA LEU 112 HA LEU 112 15.035 1.660 5.289 307 HG LEU 112 HG LEU 112 12.199 2.975 4.224 308 H CYS 113 H CYS 113 13.605 0.271 4.485 309 HA CYS 113 HA CYS 113 13.083 0.315 1.597 310 H SER 114 H SER 114 11.357 1.533 1.176 311 HA SER 114 HA SER 114 8.806 0.820 2.256 312 HG SER 114 HG SER 114 8.204 2.896 4.772 313 H GLY 115 H GLY 115 7.066 2.257 1.398 314 H GLY 116 H GLY 116 7.895 0.698 -0.758 315 H GLU 117 H GLU 117 9.899 1.479 -1.721 316 HA GLU 117 HA GLU 117 12.018 0.426 -3.360 317 H TRP 118 H TRP 118 14.066 1.976 -2.807 318 HA TRP 118 HA TRP 118 14.206 1.890 0.107 319 HD1 TRP 118 HD1 TRP 118 16.018 -0.412 -2.927 320 HE1 TRP 118 HE1 TRP 118 16.081 -2.724 -1.872 321 HE3 TRP 118 HE3 TRP 118 16.119 0.923 2.018 322 HZ2 TRP 118 HZ2 TRP 118 16.225 -3.854 0.670 323 HZ3 TRP 118 HZ3 TRP 118 16.215 -0.881 3.700 324 HH2 TRP 118 HH2 TRP 118 16.273 -3.224 3.037 325 H SER 119 H SER 119 14.363 3.636 1.344 326 HA SER 119 HA SER 119 14.571 6.244 0.001 327 HG SER 119 HG SER 119 11.687 5.100 1.176 328 H ASP 120 H ASP 120 15.664 7.954 1.104 329 HA ASP 120 HA ASP 120 17.500 8.853 2.089 330 HA PRO 121 HA PRO 121 20.213 5.118 1.000 331 HA PRO 122 HA PRO 122 23.616 7.974 0.957 332 H THR 123 H THR 123 25.998 7.841 -0.018 333 HA THR 123 HA THR 123 25.822 7.217 -2.882 334 HB THR 123 HB THR 123 27.462 9.560 -2.437 335 HG1 THR 123 HG1 THR 123 24.756 9.676 -1.618 336 H CYS 124 H CYS 124 28.197 7.553 -3.821 337 HA CYS 124 HA CYS 124 30.146 6.607 -1.855 338 H GLN 125 H GLN 125 31.402 8.395 -1.964 339 HA GLN 125 HA GLN 125 32.597 9.003 -4.581 340 H ILE 126 H ILE 126 34.723 10.061 -4.421 341 HA ILE 126 HA ILE 126 36.342 8.704 -2.416 342 HB ILE 126 HB ILE 126 37.215 10.326 -4.806 No H/Q in entry = 342 Start of MODEL 3 1 H ARG 7 H ARG 7 33.909 -2.974 2.127 2 HA ARG 7 HA ARG 7 32.865 -3.988 4.690 3 HE ARG 7 HE ARG 7 35.642 -3.562 6.866 4 1HH1 ARG 7 1HH1 ARG 7 33.447 -2.025 9.091 5 1HH2 ARG 7 1HH2 ARG 7 36.099 -5.010 8.566 6 H ARG 8 H ARG 8 30.644 -2.845 5.155 7 HA ARG 8 HA ARG 8 28.904 -3.643 3.013 8 HE ARG 8 HE ARG 8 27.689 -6.333 7.134 9 1HH1 ARG 8 1HH1 ARG 8 26.745 -3.747 9.267 10 1HH2 ARG 8 1HH2 ARG 8 26.621 -7.717 8.599 11 H CYS 9 H CYS 9 26.798 -1.982 3.077 12 HA CYS 9 HA CYS 9 27.826 0.345 1.671 13 HA PRO 10 HA PRO 10 26.939 3.316 4.791 14 H SER 11 H SER 11 25.145 4.884 5.562 15 HA SER 11 HA SER 11 22.908 3.442 6.271 16 HG SER 11 HG SER 11 23.914 7.213 7.020 17 HA PRO 12 HA PRO 12 20.783 3.427 2.279 18 H ARG 13 H ARG 13 19.072 4.589 1.387 19 HA ARG 13 HA ARG 13 18.286 6.948 2.687 20 HE ARG 13 HE ARG 13 18.618 10.029 -0.497 21 1HH1 ARG 13 1HH1 ARG 13 15.684 9.424 -2.273 22 1HH2 ARG 13 1HH2 ARG 13 18.569 12.108 -1.436 23 H ASP 14 H ASP 14 15.836 7.512 2.858 24 HA ASP 14 HA ASP 14 14.468 5.273 4.185 25 H ILE 15 H ILE 15 12.149 6.303 4.887 26 HA ILE 15 HA ILE 15 10.995 7.693 2.585 27 HB ILE 15 HB ILE 15 10.753 5.285 2.124 28 H ASP 16 H ASP 16 9.055 8.785 3.024 29 HA ASP 16 HA ASP 16 8.715 9.472 5.812 30 H ASN 17 H ASN 17 6.484 8.456 3.217 31 HA ASN 17 HA ASN 17 4.556 7.616 5.238 32 H GLY 18 H GLY 18 6.879 6.086 5.159 33 H GLN 19 H GLN 19 7.630 1.767 4.967 34 HA GLN 19 HA GLN 19 9.635 2.695 6.888 35 H LEU 20 H LEU 20 11.585 1.744 6.634 36 HA LEU 20 HA LEU 20 11.977 0.025 4.384 37 HG LEU 20 HG LEU 20 14.040 1.158 3.391 38 H ASP 21 H ASP 21 13.067 -1.996 4.422 39 HA ASP 21 HA ASP 21 12.897 -3.490 6.945 40 H ILE 22 H ILE 22 15.164 -2.798 6.931 41 HA ILE 22 HA ILE 22 16.925 -3.747 4.890 42 HB ILE 22 HB ILE 22 17.976 -2.948 7.560 43 H GLY 23 H GLY 23 17.095 -5.887 4.673 44 H GLY 24 H GLY 24 19.486 -5.645 5.435 45 H VAL 25 H VAL 25 23.434 -5.342 5.576 46 HA VAL 25 HA VAL 25 22.875 -3.241 3.591 47 HB VAL 25 HB VAL 25 24.250 -1.734 4.941 48 H ASP 26 H ASP 26 24.914 -5.847 4.201 49 HA ASP 26 HA ASP 26 27.372 -4.773 3.272 50 H PHE 27 H PHE 27 28.471 -5.526 1.287 51 HA PHE 27 HA PHE 27 27.124 -4.715 -1.000 52 HD1 PHE 27 HD1 PHE 27 27.472 -4.363 -2.982 53 HD2 PHE 27 HD2 PHE 27 30.752 -7.065 -2.732 54 HE1 PHE 27 HE1 PHE 27 27.596 -4.435 -5.444 55 HE2 PHE 27 HE2 PHE 27 30.878 -7.145 -5.187 56 HZ PHE 27 HZ PHE 27 29.300 -5.835 -6.542 57 H GLY 28 H GLY 28 25.433 -5.618 -1.929 58 H SER 29 H SER 29 24.149 -6.393 -0.168 59 HA SER 29 HA SER 29 21.902 -8.088 0.435 60 HG SER 29 HG SER 29 24.397 -6.972 1.670 61 H SER 30 H SER 30 19.719 -7.251 0.759 62 HA SER 30 HA SER 30 19.082 -4.928 -0.913 63 HG SER 30 HG SER 30 17.265 -8.402 -0.930 64 H ILE 31 H ILE 31 17.504 -3.642 -0.169 65 HA ILE 31 HA ILE 31 16.367 -4.316 2.452 66 HB ILE 31 HB ILE 31 15.857 -1.624 1.337 67 H THR 32 H THR 32 14.056 -3.421 2.771 68 HA THR 32 HA THR 32 12.491 -3.766 0.313 69 HB THR 32 HB THR 32 11.091 -4.830 2.612 70 HG1 THR 32 HG1 THR 32 12.398 -6.605 2.970 71 H TYR 33 H TYR 33 11.544 -1.886 -0.016 72 HA TYR 33 HA TYR 33 10.818 -0.163 2.191 73 HD1 TYR 33 HD1 TYR 33 13.340 -0.091 -0.185 74 HD2 TYR 33 HD2 TYR 33 10.832 3.060 1.184 75 HE1 TYR 33 HE1 TYR 33 15.331 1.279 0.286 76 HE2 TYR 33 HE2 TYR 33 12.813 4.441 1.657 77 HH TYR 33 HH TYR 33 15.220 4.559 0.818 78 H SER 34 H SER 34 8.805 0.324 2.899 79 HA SER 34 HA SER 34 6.491 -0.797 1.521 80 HG SER 34 HG SER 34 7.123 -3.012 2.111 81 H CYS 35 H CYS 35 4.442 0.038 2.381 82 HA CYS 35 HA CYS 35 4.728 2.827 3.096 83 H ASN 36 H ASN 36 3.193 3.745 4.764 84 HA ASN 36 HA ASN 36 3.775 2.609 7.279 85 H SER 37 H SER 37 0.452 3.461 6.440 86 HA SER 37 HA SER 37 -0.464 0.735 6.749 87 HG SER 37 HG SER 37 -2.750 1.708 9.514 88 H GLY 38 H GLY 38 -2.345 0.376 5.686 89 H TYR 39 H TYR 39 -1.343 1.669 3.613 90 HA TYR 39 HA TYR 39 -2.003 3.732 1.617 91 HD1 TYR 39 HD1 TYR 39 -2.197 4.752 3.841 92 HD2 TYR 39 HD2 TYR 39 1.483 5.993 2.107 93 HE1 TYR 39 HE1 TYR 39 -2.653 7.064 4.544 94 HE2 TYR 39 HE2 TYR 39 1.038 8.309 2.803 95 HH TYR 39 HH TYR 39 -1.613 9.118 4.910 96 H HIS 40 H HIS 40 -0.398 3.610 -0.311 97 HA HIS 40 HA HIS 40 0.152 0.820 -1.011 98 HD1 HIS 40 HD1 HIS 40 -1.091 2.365 -5.235 99 HD2 HIS 40 HD2 HIS 40 -1.288 4.705 -1.810 100 HE1 HIS 40 HE1 HIS 40 -1.294 4.735 -6.050 101 HE2 HIS 40 HE2 HIS 40 -1.412 6.135 -3.959 102 H LEU 41 H LEU 41 2.166 0.552 -1.618 103 HA LEU 41 HA LEU 41 3.845 2.851 -2.126 104 HG LEU 41 HG LEU 41 6.263 2.317 -2.220 105 H ILE 42 H ILE 42 4.449 3.555 -4.073 106 HA ILE 42 HA ILE 42 3.824 1.854 -6.389 107 HB ILE 42 HB ILE 42 4.382 4.748 -6.773 108 H GLY 43 H GLY 43 5.267 1.774 -8.146 109 H GLU 44 H GLU 44 9.774 1.897 -7.294 110 HA GLU 44 HA GLU 44 9.972 -0.965 -7.174 111 H SER 45 H SER 45 11.040 -1.831 -5.033 112 HA SER 45 HA SER 45 9.914 -0.717 -2.620 113 HG SER 45 HG SER 45 9.812 -3.949 -4.117 114 H LYS 46 H LYS 46 12.557 -1.665 -3.898 115 HA LYS 46 HA LYS 46 13.620 -2.834 -1.493 116 H SER 47 H SER 47 15.518 -1.902 -1.152 117 HA SER 47 HA SER 47 16.998 -0.673 -3.348 118 HG SER 47 HG SER 47 18.815 0.591 -2.500 119 H TYR 48 H TYR 48 18.844 -1.550 -4.213 120 HA TYR 48 HA TYR 48 19.751 -4.020 -2.853 121 HD1 TYR 48 HD1 TYR 48 17.752 -5.161 -3.872 122 HD2 TYR 48 HD2 TYR 48 19.026 -3.127 -7.378 123 HE1 TYR 48 HE1 TYR 48 15.485 -5.362 -4.804 124 HE2 TYR 48 HE2 TYR 48 16.767 -3.302 -8.320 125 HH TYR 48 HH TYR 48 14.073 -4.193 -6.483 126 H CYS 49 H CYS 49 21.504 -3.887 -1.744 127 HA CYS 49 HA CYS 49 23.319 -1.705 -1.934 128 H GLU 50 H GLU 50 23.859 -1.800 -4.154 129 HA GLU 50 HA GLU 50 25.542 -4.054 -4.958 130 H LEU 51 H LEU 51 27.132 -2.771 -6.869 131 HA LEU 51 HA LEU 51 28.929 -1.281 -5.095 132 HG LEU 51 HG LEU 51 29.014 -2.114 -8.589 133 H GLY 52 H GLY 52 29.948 0.611 -5.803 134 H SER 53 H SER 53 31.175 3.450 -8.291 135 HA SER 53 HA SER 53 31.320 1.969 -10.833 136 HG SER 53 HG SER 53 31.706 4.744 -12.751 137 H THR 54 H THR 54 33.143 3.334 -8.179 138 HA THR 54 HA THR 54 35.661 2.437 -9.378 139 HB THR 54 HB THR 54 36.278 3.544 -6.917 140 HG1 THR 54 HG1 THR 54 34.272 5.153 -8.099 141 H GLY 55 H GLY 55 33.715 0.521 -8.461 142 H SER 56 H SER 56 33.053 1.178 -6.083 143 HA SER 56 HA SER 56 33.358 0.521 -3.274 144 HG SER 56 HG SER 56 32.895 3.721 -2.438 145 H MET 57 H MET 57 30.937 1.435 -2.260 146 HA MET 57 HA MET 57 29.042 -0.588 -3.227 147 H VAL 58 H VAL 58 26.854 -0.063 -3.217 148 HA VAL 58 HA VAL 58 25.996 2.590 -2.451 149 HB VAL 58 HB VAL 58 24.938 2.865 -4.807 150 H TRP 59 H TRP 59 23.559 2.797 -3.403 151 HA TRP 59 HA TRP 59 22.269 0.215 -2.816 152 HD1 TRP 59 HD1 TRP 59 23.380 2.960 0.128 153 HE1 TRP 59 HE1 TRP 59 23.773 1.458 2.181 154 HE3 TRP 59 HE3 TRP 59 20.210 -0.876 -1.056 155 HZ2 TRP 59 HZ2 TRP 59 22.853 -1.026 3.166 156 HZ3 TRP 59 HZ3 TRP 59 20.027 -2.773 0.502 157 HH2 TRP 59 HH2 TRP 59 21.316 -2.844 2.553 158 H ASN 60 H ASN 60 21.032 -0.518 -4.374 159 HA ASN 60 HA ASN 60 20.268 1.073 -6.633 160 HA PRO 61 HA PRO 61 16.170 2.733 -6.304 161 H GLU 62 H GLU 62 16.063 3.279 -4.179 162 HA GLU 62 HA GLU 62 15.278 1.211 -2.260 163 H ALA 63 H ALA 63 14.760 4.708 -2.061 164 HA ALA 63 HA ALA 63 12.197 4.330 -0.885 165 HA PRO 64 HA PRO 64 10.046 4.689 -4.858 166 H ILE 65 H ILE 65 7.199 4.536 -4.733 167 HA ILE 65 HA ILE 65 6.622 7.078 -3.408 168 HB ILE 65 HB ILE 65 4.626 5.690 -5.119 169 H CYS 66 H CYS 66 4.358 7.261 -2.474 170 HA CYS 66 HA CYS 66 3.082 4.919 -1.476 171 H GLU 67 H GLU 67 1.032 5.359 -0.856 172 HA GLU 67 HA GLU 67 0.264 7.978 0.082 173 H SER 68 H SER 68 -2.267 8.023 0.259 174 HA SER 68 HA SER 68 -3.007 5.536 1.599 175 HG SER 68 HG SER 68 -5.105 8.975 2.005 176 H VAL 69 H VAL 69 -3.934 4.075 0.350 177 HA VAL 69 HA VAL 69 -5.146 4.370 -2.079 178 HB VAL 69 HB VAL 69 -6.434 2.272 -1.515 179 H LYS 70 H LYS 70 -6.557 6.060 -2.323 180 HA LYS 70 HA LYS 70 -8.749 6.478 -0.506 181 H CYS 71 H CYS 71 -10.632 5.446 -0.559 182 HA CYS 71 HA CYS 71 -11.437 4.089 -3.039 183 H GLN 72 H GLN 72 -12.880 5.106 -4.235 184 HA GLN 72 HA GLN 72 -14.377 7.314 -3.258 185 H SER 73 H SER 73 -16.872 6.816 -4.612 186 HA SER 73 HA SER 73 -18.470 5.953 -2.582 187 HG SER 73 HG SER 73 -20.728 5.139 -5.531 188 HA PRO 74 HA PRO 74 -17.858 1.586 -2.146 189 HA PRO 75 HA PRO 75 -19.048 -0.607 -5.755 190 H SER 76 H SER 76 -20.834 -1.120 -7.078 191 HA SER 76 HA SER 76 -23.370 0.031 -6.133 192 HG SER 76 HG SER 76 -21.350 -0.758 -8.921 193 H ILE 77 H ILE 77 -24.182 -1.843 -5.175 194 HA ILE 77 HA ILE 77 -24.263 -4.357 -6.485 195 HB ILE 77 HB ILE 77 -25.797 -5.055 -4.735 196 H SER 78 H SER 78 -26.547 -5.462 -6.656 197 HA SER 78 HA SER 78 -28.030 -3.876 -8.604 198 HG SER 78 HG SER 78 -26.539 -7.000 -8.951 199 H ASN 79 H ASN 79 -30.180 -3.390 -8.446 200 HA ASN 79 HA ASN 79 -32.099 -2.775 -7.398 201 H GLY 80 H GLY 80 -29.549 -1.974 -6.194 202 H ARG 81 H ARG 81 -28.642 -0.047 -2.367 203 HA ARG 81 HA ARG 81 -26.579 1.121 -3.999 204 HE ARG 81 HE ARG 81 -31.957 4.544 -2.868 205 1HH1 ARG 81 1HH1 ARG 81 -28.590 5.194 -2.264 206 1HH2 ARG 81 1HH2 ARG 81 -32.378 5.945 -1.117 207 H HIS 82 H HIS 82 -25.609 3.038 -2.454 208 HA HIS 82 HA HIS 82 -25.316 1.791 0.197 209 HD1 HIS 82 HD1 HIS 82 -22.554 1.536 -3.245 210 HD2 HIS 82 HD2 HIS 82 -23.271 5.274 -1.578 211 HE1 HIS 82 HE1 HIS 82 -21.932 3.197 -5.026 212 HE2 HIS 82 HE2 HIS 82 -22.373 5.454 -3.996 213 H ASN 83 H ASN 83 -24.565 3.251 1.913 214 HA ASN 83 HA ASN 83 -25.994 5.779 1.760 215 H GLY 84 H GLY 84 -24.542 7.316 3.596 216 H TYR 85 H TYR 85 -22.576 7.478 0.483 217 HA TYR 85 HA TYR 85 -22.562 8.402 -1.511 218 HD1 TYR 85 HD1 TYR 85 -25.070 7.532 0.431 219 HD2 TYR 85 HD2 TYR 85 -25.462 11.751 0.117 220 HE1 TYR 85 HE1 TYR 85 -26.629 7.522 2.341 221 HE2 TYR 85 HE2 TYR 85 -27.017 11.760 2.023 222 HH TYR 85 HH TYR 85 -28.691 9.690 3.043 223 H GLU 86 H GLU 86 -20.595 9.037 0.245 224 HA GLU 86 HA GLU 86 -20.013 11.799 0.177 225 H ASP 87 H ASP 87 -17.328 11.874 -0.625 226 HA ASP 87 HA ASP 87 -17.610 11.311 -3.492 227 H PHE 88 H PHE 88 -15.681 10.828 -0.677 228 HA PHE 88 HA PHE 88 -14.165 8.806 -2.037 229 HD1 PHE 88 HD1 PHE 88 -11.370 8.557 -2.856 230 HD2 PHE 88 HD2 PHE 88 -13.395 12.245 -3.464 231 HE1 PHE 88 HE1 PHE 88 -10.693 8.531 -5.212 232 HE2 PHE 88 HE2 PHE 88 -12.721 12.231 -5.829 233 HZ PHE 88 HZ PHE 88 -11.365 10.371 -6.711 234 H TYR 89 H TYR 89 -12.820 7.569 -0.586 235 HA TYR 89 HA TYR 89 -13.369 7.909 2.263 236 HD1 TYR 89 HD1 TYR 89 -15.342 6.899 -0.707 237 HD2 TYR 89 HD2 TYR 89 -16.093 5.981 3.377 238 HE1 TYR 89 HE1 TYR 89 -17.709 7.510 -1.018 239 HE2 TYR 89 HE2 TYR 89 -18.467 6.578 3.079 240 HH TYR 89 HH TYR 89 -20.108 6.698 1.176 241 H THR 90 H THR 90 -12.004 6.326 3.565 242 HA THR 90 HA THR 90 -9.509 5.678 2.152 243 HB THR 90 HB THR 90 -8.343 6.496 4.317 244 HG1 THR 90 HG1 THR 90 -9.520 7.554 5.681 245 H ASP 91 H ASP 91 -7.972 4.619 3.964 246 HA ASP 91 HA ASP 91 -9.089 2.099 4.482 247 H GLY 92 H GLY 92 -10.860 2.159 5.719 248 H SER 93 H SER 93 -12.496 3.165 5.692 249 HA SER 93 HA SER 93 -14.511 4.668 7.172 250 HG SER 93 HG SER 93 -12.559 5.540 5.265 251 H VAL 94 H VAL 94 -16.774 4.239 6.915 252 HA VAL 94 HA VAL 94 -17.409 1.497 6.093 253 HB VAL 94 HB VAL 94 -18.223 2.777 8.705 254 H VAL 95 H VAL 95 -19.507 1.161 5.372 255 HA VAL 95 HA VAL 95 -21.336 3.423 5.243 256 HB VAL 95 HB VAL 95 -20.449 1.995 2.734 257 H THR 96 H THR 96 -23.487 2.819 4.742 258 HA THR 96 HA THR 96 -23.990 -0.057 5.106 259 HB THR 96 HB THR 96 -26.375 1.360 5.578 260 HG1 THR 96 HG1 THR 96 -25.575 2.769 7.288 261 H TYR 97 H TYR 97 -25.170 -1.152 3.651 262 HA TYR 97 HA TYR 97 -25.887 0.271 1.219 263 HD1 TYR 97 HD1 TYR 97 -23.227 -0.596 1.795 264 HD2 TYR 97 HD2 TYR 97 -25.233 -2.448 -1.465 265 HE1 TYR 97 HE1 TYR 97 -21.286 -0.152 0.362 266 HE2 TYR 97 HE2 TYR 97 -23.292 -2.012 -2.911 267 HH TYR 97 HH TYR 97 -21.300 -0.107 -2.793 268 H SER 98 H SER 98 -27.891 -0.173 0.117 269 HA SER 98 HA SER 98 -30.082 -1.210 1.721 270 HG SER 98 HG SER 98 -29.333 1.824 2.869 271 H CYS 99 H CYS 99 -31.943 -1.703 0.512 272 HA CYS 99 HA CYS 99 -31.404 -2.105 -2.302 273 H ASN 100 H ASN 100 -32.875 -1.513 -3.991 274 HA ASN 100 HA ASN 100 -34.001 1.131 -3.542 275 H SER 101 H SER 101 -35.119 -1.550 -5.617 276 HA SER 101 HA SER 101 -37.782 -0.818 -5.684 277 HG SER 101 HG SER 101 -38.982 -2.183 -6.819 278 H GLY 102 H GLY 102 -35.992 -2.325 -3.143 279 H TYR 103 H TYR 103 -35.319 -3.957 -2.345 280 HA TYR 103 HA TYR 103 -36.107 -6.573 -1.512 281 HD1 TYR 103 HD1 TYR 103 -34.929 -4.824 -4.652 282 HD2 TYR 103 HD2 TYR 103 -34.634 -8.804 -3.173 283 HE1 TYR 103 HE1 TYR 103 -35.772 -5.679 -6.799 284 HE2 TYR 103 HE2 TYR 103 -35.477 -9.669 -5.315 285 HH TYR 103 HH TYR 103 -35.407 -8.429 -7.958 286 H SER 104 H SER 104 -34.085 -7.738 -0.310 287 HA SER 104 HA SER 104 -33.545 -6.199 2.141 288 HG SER 104 HG SER 104 -36.008 -8.659 3.065 289 H LEU 105 H LEU 105 -31.463 -5.636 1.672 290 HA LEU 105 HA LEU 105 -29.697 -7.045 0.205 291 HG LEU 105 HG LEU 105 -29.279 -5.768 3.511 292 H ILE 106 H ILE 106 -27.917 -8.175 0.546 293 HA ILE 106 HA ILE 106 -28.067 -9.977 2.865 294 HB ILE 106 HB ILE 106 -27.399 -10.531 -0.023 295 H GLY 107 H GLY 107 -26.166 -10.707 3.763 296 H ASN 108 H ASN 108 -25.573 -8.947 5.234 297 HA ASN 108 HA ASN 108 -25.743 -7.030 6.408 298 H SER 109 H SER 109 -25.922 -4.899 6.221 299 HA SER 109 HA SER 109 -25.351 -3.685 3.729 300 HG SER 109 HG SER 109 -27.375 -3.147 6.860 301 H GLY 110 H GLY 110 -23.656 -3.831 6.723 302 H VAL 111 H VAL 111 -20.300 -1.004 5.386 303 HA VAL 111 HA VAL 111 -18.852 -3.158 4.013 304 HB VAL 111 HB VAL 111 -19.242 -0.528 2.665 305 H LEU 112 H LEU 112 -16.764 -3.112 4.559 306 HA LEU 112 HA LEU 112 -15.700 -0.747 5.861 307 HG LEU 112 HG LEU 112 -12.761 -1.717 5.466 308 H CYS 113 H CYS 113 -14.665 0.792 4.820 309 HA CYS 113 HA CYS 113 -13.642 0.328 2.139 310 H SER 114 H SER 114 -11.749 -0.759 2.202 311 HA SER 114 HA SER 114 -9.476 0.509 3.442 312 HG SER 114 HG SER 114 -7.961 -1.775 4.818 313 H GLY 115 H GLY 115 -7.505 -0.171 2.628 314 H GLY 116 H GLY 116 -8.202 0.830 0.353 315 H GLU 117 H GLU 117 -9.925 -0.822 -0.694 316 HA GLU 117 HA GLU 117 -11.919 -0.702 -2.827 317 H TRP 118 H TRP 118 -13.858 -2.152 -2.127 318 HA TRP 118 HA TRP 118 -14.408 -1.485 0.680 319 HD1 TRP 118 HD1 TRP 118 -15.180 0.500 -2.719 320 HE1 TRP 118 HE1 TRP 118 -15.446 2.960 -2.013 321 HE3 TRP 118 HE3 TRP 118 -17.099 -0.204 1.963 322 HZ2 TRP 118 HZ2 TRP 118 -16.362 4.409 0.229 323 HZ3 TRP 118 HZ3 TRP 118 -17.647 1.772 3.325 324 HH2 TRP 118 HH2 TRP 118 -17.286 4.031 2.474 325 H SER 119 H SER 119 -14.771 -3.049 2.102 326 HA SER 119 HA SER 119 -14.853 -5.799 1.109 327 HG SER 119 HG SER 119 -12.435 -4.394 3.383 328 H ASP 120 H ASP 120 -16.179 -7.362 2.225 329 HA ASP 120 HA ASP 120 -18.255 -8.162 2.650 330 HA PRO 121 HA PRO 121 -20.687 -4.622 0.708 331 HA PRO 122 HA PRO 122 -23.702 -7.875 0.598 332 H THR 123 H THR 123 -26.059 -8.074 -0.194 333 HA THR 123 HA THR 123 -26.196 -7.246 -3.024 334 HB THR 123 HB THR 123 -27.675 -9.669 -2.236 335 HG1 THR 123 HG1 THR 123 -25.846 -10.960 -2.110 336 H CYS 124 H CYS 124 -28.857 -8.407 -3.304 337 HA CYS 124 HA CYS 124 -30.502 -7.121 -1.331 338 H GLN 125 H GLN 125 -31.292 -9.194 -1.008 339 HA GLN 125 HA GLN 125 -32.913 -10.289 -3.202 340 H ILE 126 H ILE 126 -34.856 -11.462 -2.504 341 HA ILE 126 HA ILE 126 -36.259 -9.926 -0.471 342 HB ILE 126 HB ILE 126 -37.339 -12.004 -2.373 No H/Q in entry = 342 Start of MODEL 4 1 H ARG 7 H ARG 7 34.130 4.480 -0.547 2 HA ARG 7 HA ARG 7 33.132 4.073 -3.198 3 HE ARG 7 HE ARG 7 36.622 1.100 -0.853 4 1HH1 ARG 7 1HH1 ARG 7 36.774 -0.941 -3.671 5 1HH2 ARG 7 1HH2 ARG 7 38.098 -0.360 0.089 6 H ARG 8 H ARG 8 31.149 3.447 -3.870 7 HA ARG 8 HA ARG 8 28.960 3.760 -2.009 8 HE ARG 8 HE ARG 8 28.099 4.817 -6.951 9 1HH1 ARG 8 1HH1 ARG 8 26.158 7.399 -5.654 10 1HH2 ARG 8 1HH2 ARG 8 26.799 4.991 -8.818 11 H CYS 9 H CYS 9 27.056 2.159 -2.367 12 HA CYS 9 HA CYS 9 28.089 -0.503 -1.784 13 HA PRO 10 HA PRO 10 26.839 -2.393 -5.553 14 H SER 11 H SER 11 24.926 -3.339 -6.748 15 HA SER 11 HA SER 11 22.783 -1.577 -6.721 16 HG SER 11 HG SER 11 21.694 -1.775 -8.531 17 HA PRO 12 HA PRO 12 20.813 -3.030 -2.930 18 H ARG 13 H ARG 13 19.124 -4.422 -2.431 19 HA ARG 13 HA ARG 13 18.287 -6.152 -4.514 20 HE ARG 13 HE ARG 13 19.479 -10.086 -2.135 21 1HH1 ARG 13 1HH1 ARG 13 16.212 -10.644 -1.067 22 1HH2 ARG 13 1HH2 ARG 13 19.799 -12.321 -1.804 23 H ASP 14 H ASP 14 16.206 -6.581 -5.269 24 HA ASP 14 HA ASP 14 14.609 -4.175 -5.469 25 H ILE 15 H ILE 15 12.199 -4.862 -6.068 26 HA ILE 15 HA ILE 15 11.129 -6.867 -4.259 27 HB ILE 15 HB ILE 15 11.335 -4.891 -2.817 28 H ASP 16 H ASP 16 9.150 -7.616 -4.887 29 HA ASP 16 HA ASP 16 8.215 -6.810 -7.486 30 H ASN 17 H ASN 17 5.734 -6.752 -7.702 31 HA ASN 17 HA ASN 17 4.026 -5.190 -7.589 32 H GLY 18 H GLY 18 6.601 -3.994 -6.982 33 H GLN 19 H GLN 19 7.989 -0.346 -5.081 34 HA GLN 19 HA GLN 19 10.041 -0.794 -7.031 35 H LEU 20 H LEU 20 12.011 0.193 -6.518 36 HA LEU 20 HA LEU 20 12.212 1.057 -3.773 37 HG LEU 20 HG LEU 20 14.224 -0.419 -3.005 38 H ASP 21 H ASP 21 13.384 2.959 -3.127 39 HA ASP 21 HA ASP 21 13.302 5.160 -5.083 40 H ILE 22 H ILE 22 15.557 4.516 -5.359 41 HA ILE 22 HA ILE 22 17.383 4.690 -3.177 42 HB ILE 22 HB ILE 22 18.377 4.949 -5.968 43 H GLY 23 H GLY 23 17.538 6.601 -2.188 44 H GLY 24 H GLY 24 19.923 6.669 -2.969 45 H VAL 25 H VAL 25 23.909 6.395 -2.977 46 HA VAL 25 HA VAL 25 23.326 3.781 -1.752 47 HB VAL 25 HB VAL 25 24.367 2.666 -3.664 48 H ASP 26 H ASP 26 24.959 5.942 -0.696 49 HA ASP 26 HA ASP 26 27.647 4.781 -0.929 50 H PHE 27 H PHE 27 28.951 4.761 1.054 51 HA PHE 27 HA PHE 27 27.964 3.096 2.984 52 HD1 PHE 27 HD1 PHE 27 28.415 2.183 4.646 53 HD2 PHE 27 HD2 PHE 27 32.329 3.259 3.344 54 HE1 PHE 27 HE1 PHE 27 29.308 0.069 5.561 55 HE2 PHE 27 HE2 PHE 27 33.217 1.156 4.259 56 HZ PHE 27 HZ PHE 27 31.712 -0.432 5.368 57 H GLY 28 H GLY 28 25.996 3.622 3.851 58 H SER 29 H SER 29 24.744 5.126 2.767 59 HA SER 29 HA SER 29 22.671 7.073 2.937 60 HG SER 29 HG SER 29 24.401 7.523 1.095 61 H SER 30 H SER 30 20.425 6.422 1.945 62 HA SER 30 HA SER 30 19.562 3.815 2.894 63 HG SER 30 HG SER 30 17.989 7.127 4.577 64 H ILE 31 H ILE 31 17.748 3.023 1.906 65 HA ILE 31 HA ILE 31 16.809 4.574 -0.409 66 HB ILE 31 HB ILE 31 16.130 1.698 -0.248 67 H THR 32 H THR 32 14.491 3.906 -1.085 68 HA THR 32 HA THR 32 12.787 3.591 1.280 69 HB THR 32 HB THR 32 11.659 5.387 -0.729 70 HG1 THR 32 HG1 THR 32 13.009 7.153 0.002 71 H TYR 33 H TYR 33 11.605 1.842 1.007 72 HA TYR 33 HA TYR 33 11.034 0.877 -1.675 73 HD1 TYR 33 HD1 TYR 33 13.374 0.152 0.536 74 HD2 TYR 33 HD2 TYR 33 10.901 -2.681 -1.452 75 HE1 TYR 33 HE1 TYR 33 15.375 -1.101 -0.153 76 HE2 TYR 33 HE2 TYR 33 12.896 -3.944 -2.145 77 HH TYR 33 HH TYR 33 16.021 -2.695 -1.945 78 H SER 34 H SER 34 8.971 0.446 -2.482 79 HA SER 34 HA SER 34 6.639 1.316 -1.002 80 HG SER 34 HG SER 34 8.403 2.259 -3.843 81 H CYS 35 H CYS 35 4.689 0.573 -1.867 82 HA CYS 35 HA CYS 35 4.930 -1.733 -3.553 83 H ASN 36 H ASN 36 3.329 -2.037 -5.387 84 HA ASN 36 HA ASN 36 3.904 -0.077 -7.364 85 H SER 37 H SER 37 0.642 -1.369 -6.974 86 HA SER 37 HA SER 37 -0.436 1.253 -6.376 87 HG SER 37 HG SER 37 -2.816 0.153 -8.861 88 H GLY 38 H GLY 38 -2.277 1.133 -5.234 89 H TYR 39 H TYR 39 -1.253 -0.584 -3.612 90 HA TYR 39 HA TYR 39 -1.818 -3.123 -2.225 91 HD1 TYR 39 HD1 TYR 39 -1.972 -3.671 -4.555 92 HD2 TYR 39 HD2 TYR 39 1.810 -5.017 -3.152 93 HE1 TYR 39 HE1 TYR 39 -2.303 -5.807 -5.730 94 HE2 TYR 39 HE2 TYR 39 1.490 -7.157 -4.321 95 HH TYR 39 HH TYR 39 -0.232 -7.750 -6.634 96 H HIS 40 H HIS 40 -0.313 -3.431 -0.277 97 HA HIS 40 HA HIS 40 0.255 -0.903 1.073 98 HD1 HIS 40 HD1 HIS 40 -1.469 -3.106 4.821 99 HD2 HIS 40 HD2 HIS 40 -1.186 -4.854 1.066 100 HE1 HIS 40 HE1 HIS 40 -1.727 -5.578 5.209 101 HE2 HIS 40 HE2 HIS 40 -1.553 -6.617 2.921 102 H LEU 41 H LEU 41 2.327 -0.948 1.497 103 HA LEU 41 HA LEU 41 3.784 -3.418 1.741 104 HG LEU 41 HG LEU 41 6.310 -2.889 2.328 105 H ILE 42 H ILE 42 4.031 -4.489 3.576 106 HA ILE 42 HA ILE 42 3.494 -3.134 6.103 107 HB ILE 42 HB ILE 42 4.118 -6.049 5.976 108 H GLY 43 H GLY 43 4.863 -3.618 7.984 109 H GLU 44 H GLU 44 9.404 -3.317 7.305 110 HA GLU 44 HA GLU 44 9.407 -0.456 7.709 111 H SER 45 H SER 45 10.859 0.644 5.813 112 HA SER 45 HA SER 45 9.947 -0.086 3.170 113 HG SER 45 HG SER 45 8.144 3.030 4.984 114 H LYS 46 H LYS 46 12.484 0.440 4.776 115 HA LYS 46 HA LYS 46 13.769 2.069 2.730 116 H SER 47 H SER 47 15.722 1.365 2.214 117 HA SER 47 HA SER 47 16.988 -0.731 3.826 118 HG SER 47 HG SER 47 18.773 -1.966 2.048 119 H TYR 48 H TYR 48 19.152 -0.492 4.632 120 HA TYR 48 HA TYR 48 20.117 2.300 4.400 121 HD1 TYR 48 HD1 TYR 48 18.158 3.112 5.710 122 HD2 TYR 48 HD2 TYR 48 19.192 -0.116 8.273 123 HE1 TYR 48 HE1 TYR 48 15.861 3.086 6.584 124 HE2 TYR 48 HE2 TYR 48 16.899 -0.164 9.158 125 HH TYR 48 HH TYR 48 14.330 1.364 7.692 126 H CYS 49 H CYS 49 21.886 2.500 3.363 127 HA CYS 49 HA CYS 49 23.509 0.357 2.547 128 H GLU 50 H GLU 50 24.825 -0.790 3.748 129 HA GLU 50 HA GLU 50 26.645 0.576 5.564 130 H LEU 51 H LEU 51 27.961 -1.543 6.633 131 HA LEU 51 HA LEU 51 29.065 -2.769 4.225 132 HG LEU 51 HG LEU 51 30.288 -3.666 7.575 133 H GLY 52 H GLY 52 29.347 -4.954 4.004 134 H SER 53 H SER 53 30.006 -8.659 5.369 135 HA SER 53 HA SER 53 30.575 -8.177 8.217 136 HG SER 53 HG SER 53 28.293 -10.797 8.062 137 H THR 54 H THR 54 31.800 -9.476 5.166 138 HA THR 54 HA THR 54 34.466 -9.783 6.298 139 HB THR 54 HB THR 54 35.056 -10.855 4.225 140 HG1 THR 54 HG1 THR 54 33.700 -10.851 2.464 141 H GLY 55 H GLY 55 33.635 -7.146 6.313 142 H SER 56 H SER 56 32.545 -6.546 3.996 143 HA SER 56 HA SER 56 33.138 -5.356 1.392 144 HG SER 56 HG SER 56 31.513 -6.422 -0.343 145 H MET 57 H MET 57 30.392 -5.076 0.612 146 HA MET 57 HA MET 57 29.490 -2.904 2.364 147 H VAL 58 H VAL 58 27.532 -3.411 3.089 148 HA VAL 58 HA VAL 58 25.785 -4.974 1.326 149 HB VAL 58 HB VAL 58 26.757 -5.568 3.878 150 H TRP 59 H TRP 59 23.477 -4.891 2.476 151 HA TRP 59 HA TRP 59 22.738 -2.061 2.807 152 HD1 TRP 59 HD1 TRP 59 23.494 -3.457 -0.880 153 HE1 TRP 59 HE1 TRP 59 23.971 -1.346 -2.273 154 HE3 TRP 59 HE3 TRP 59 20.474 -0.137 1.591 155 HZ2 TRP 59 HZ2 TRP 59 23.178 1.365 -2.314 156 HZ3 TRP 59 HZ3 TRP 59 20.404 2.195 0.811 157 HH2 TRP 59 HH2 TRP 59 21.720 2.922 -1.096 158 H ASN 60 H ASN 60 21.322 -1.655 4.394 159 HA ASN 60 HA ASN 60 20.467 -3.784 6.128 160 HA PRO 61 HA PRO 61 16.288 -5.030 5.446 161 H GLU 62 H GLU 62 16.379 -4.829 3.215 162 HA GLU 62 HA GLU 62 15.700 -2.291 1.998 163 H ALA 63 H ALA 63 14.557 -5.531 1.063 164 HA ALA 63 HA ALA 63 12.047 -4.364 0.251 165 HA PRO 64 HA PRO 64 10.083 -5.880 4.047 166 H ILE 65 H ILE 65 7.232 -5.648 4.102 167 HA ILE 65 HA ILE 65 6.542 -7.759 2.224 168 HB ILE 65 HB ILE 65 4.644 -6.606 4.213 169 H CYS 66 H CYS 66 4.375 -7.650 1.164 170 HA CYS 66 HA CYS 66 3.201 -5.088 0.677 171 H GLU 67 H GLU 67 1.164 -5.266 -0.114 172 HA GLU 67 HA GLU 67 0.277 -7.598 -1.542 173 H SER 68 H SER 68 -2.181 -7.476 -1.865 174 HA SER 68 HA SER 68 -2.799 -4.786 -2.712 175 HG SER 68 HG SER 68 -5.112 -8.041 -3.435 176 H VAL 69 H VAL 69 -3.732 -3.361 -1.453 177 HA VAL 69 HA VAL 69 -4.683 -3.690 1.084 178 HB VAL 69 HB VAL 69 -6.200 -1.645 0.504 179 H LYS 70 H LYS 70 -5.983 -5.479 1.399 180 HA LYS 70 HA LYS 70 -8.314 -6.002 -0.157 181 H CYS 71 H CYS 71 -10.179 -4.945 -0.058 182 HA CYS 71 HA CYS 71 -10.828 -3.429 2.367 183 H GLN 72 H GLN 72 -12.132 -4.335 3.778 184 HA GLN 72 HA GLN 72 -13.596 -6.701 3.215 185 H SER 73 H SER 73 -15.998 -6.182 4.675 186 HA SER 73 HA SER 73 -17.772 -5.580 2.676 187 HG SER 73 HG SER 73 -19.764 -4.490 5.681 188 HA PRO 74 HA PRO 74 -17.459 -1.220 1.968 189 HA PRO 75 HA PRO 75 -18.608 1.172 5.464 190 H SER 76 H SER 76 -20.341 1.641 6.856 191 HA SER 76 HA SER 76 -22.860 0.299 6.131 192 HG SER 76 HG SER 76 -22.249 -1.668 8.815 193 H ILE 77 H ILE 77 -23.852 2.076 5.180 194 HA ILE 77 HA ILE 77 -23.946 4.645 6.365 195 HB ILE 77 HB ILE 77 -25.660 5.180 4.728 196 H SER 78 H SER 78 -26.127 5.714 6.815 197 HA SER 78 HA SER 78 -27.426 4.162 8.908 198 HG SER 78 HG SER 78 -26.263 7.706 9.064 199 H ASN 79 H ASN 79 -29.551 3.587 8.925 200 HA ASN 79 HA ASN 79 -31.577 2.993 8.099 201 H GLY 80 H GLY 80 -29.121 2.095 6.769 202 H ARG 81 H ARG 81 -28.223 0.104 3.024 203 HA ARG 81 HA ARG 81 -26.085 -0.900 4.599 204 HE ARG 81 HE ARG 81 -29.960 -5.022 3.328 205 1HH1 ARG 81 1HH1 ARG 81 -31.016 -4.822 6.641 206 1HH2 ARG 81 1HH2 ARG 81 -31.351 -6.823 3.161 207 H HIS 82 H HIS 82 -25.140 -2.944 3.249 208 HA HIS 82 HA HIS 82 -25.034 -2.001 0.462 209 HD1 HIS 82 HD1 HIS 82 -22.691 -5.337 1.922 210 HD2 HIS 82 HD2 HIS 82 -22.360 -1.809 4.092 211 HE1 HIS 82 HE1 HIS 82 -21.845 -6.019 4.189 212 HE2 HIS 82 HE2 HIS 82 -21.651 -3.868 5.487 213 H ASN 83 H ASN 83 -24.259 -3.740 -1.092 214 HA ASN 83 HA ASN 83 -25.889 -6.122 -0.637 215 H GLY 84 H GLY 84 -22.982 -5.947 -2.638 216 H TYR 85 H TYR 85 -20.451 -9.272 -3.019 217 HA TYR 85 HA TYR 85 -22.382 -11.361 -2.278 218 HD1 TYR 85 HD1 TYR 85 -23.481 -9.764 -3.860 219 HD2 TYR 85 HD2 TYR 85 -20.424 -10.831 -6.620 220 HE1 TYR 85 HE1 TYR 85 -24.224 -7.969 -5.367 221 HE2 TYR 85 HE2 TYR 85 -21.159 -9.039 -8.136 222 HH TYR 85 HH TYR 85 -22.879 -7.598 -8.587 223 H GLU 86 H GLU 86 -19.020 -10.473 -2.447 224 HA GLU 86 HA GLU 86 -18.190 -13.000 -1.253 225 H ASP 87 H ASP 87 -16.080 -12.337 0.274 226 HA ASP 87 HA ASP 87 -17.331 -10.868 2.483 227 H PHE 88 H PHE 88 -14.710 -10.770 0.260 228 HA PHE 88 HA PHE 88 -13.720 -8.337 1.572 229 HD1 PHE 88 HD1 PHE 88 -12.666 -11.488 3.089 230 HD2 PHE 88 HD2 PHE 88 -10.698 -7.811 2.258 231 HE1 PHE 88 HE1 PHE 88 -11.935 -11.354 5.433 232 HE2 PHE 88 HE2 PHE 88 -9.963 -7.669 4.594 233 HZ PHE 88 HZ PHE 88 -10.579 -9.441 6.192 234 H TYR 89 H TYR 89 -12.263 -7.074 0.036 235 HA TYR 89 HA TYR 89 -12.917 -7.417 -2.779 236 HD1 TYR 89 HD1 TYR 89 -14.989 -6.280 0.268 237 HD2 TYR 89 HD2 TYR 89 -15.703 -5.984 -3.917 238 HE1 TYR 89 HE1 TYR 89 -17.290 -7.071 0.610 239 HE2 TYR 89 HE2 TYR 89 -18.008 -6.774 -3.583 240 HH TYR 89 HH TYR 89 -19.345 -7.236 -0.372 241 H THR 90 H THR 90 -11.723 -5.734 -4.129 242 HA THR 90 HA THR 90 -9.252 -4.843 -2.822 243 HB THR 90 HB THR 90 -8.022 -5.681 -4.905 244 HG1 THR 90 HG1 THR 90 -9.860 -6.142 -6.159 245 H ASP 91 H ASP 91 -7.868 -3.756 -4.787 246 HA ASP 91 HA ASP 91 -9.229 -1.370 -5.369 247 H GLY 92 H GLY 92 -11.029 -1.618 -6.523 248 H SER 93 H SER 93 -12.773 -2.436 -6.440 249 HA SER 93 HA SER 93 -14.634 -4.310 -7.740 250 HG SER 93 HG SER 93 -12.446 -5.051 -6.044 251 H VAL 94 H VAL 94 -16.914 -4.115 -7.192 252 HA VAL 94 HA VAL 94 -17.691 -1.438 -6.287 253 HB VAL 94 HB VAL 94 -18.684 -2.785 -8.800 254 H VAL 95 H VAL 95 -19.785 -1.255 -5.450 255 HA VAL 95 HA VAL 95 -21.376 -3.666 -5.086 256 HB VAL 95 HB VAL 95 -20.532 -2.059 -2.682 257 H THR 96 H THR 96 -23.537 -3.238 -4.569 258 HA THR 96 HA THR 96 -24.296 -0.420 -4.905 259 HB THR 96 HB THR 96 -26.595 -1.883 -5.310 260 HG1 THR 96 HG1 THR 96 -24.509 -3.260 -6.631 261 H TYR 97 H TYR 97 -25.212 0.607 -3.294 262 HA TYR 97 HA TYR 97 -25.765 -0.802 -0.835 263 HD1 TYR 97 HD1 TYR 97 -23.332 0.162 -1.669 264 HD2 TYR 97 HD2 TYR 97 -25.016 2.340 1.575 265 HE1 TYR 97 HE1 TYR 97 -21.184 0.053 -0.492 266 HE2 TYR 97 HE2 TYR 97 -22.862 2.240 2.759 267 HH TYR 97 HH TYR 97 -20.277 1.946 1.855 268 H SER 98 H SER 98 -27.743 -0.289 0.424 269 HA SER 98 HA SER 98 -30.098 0.470 -1.075 270 HG SER 98 HG SER 98 -29.640 -2.939 -2.074 271 H CYS 99 H CYS 99 -31.809 1.080 0.208 272 HA CYS 99 HA CYS 99 -31.220 1.650 2.950 273 H ASN 100 H ASN 100 -32.537 0.977 4.782 274 HA ASN 100 HA ASN 100 -33.264 -1.822 4.536 275 H SER 101 H SER 101 -34.582 1.060 6.061 276 HA SER 101 HA SER 101 -37.159 -0.096 6.477 277 HG SER 101 HG SER 101 -38.116 2.774 8.196 278 H GLY 102 H GLY 102 -35.678 1.538 3.838 279 H TYR 103 H TYR 103 -35.246 3.286 3.120 280 HA TYR 103 HA TYR 103 -36.258 5.854 2.503 281 HD1 TYR 103 HD1 TYR 103 -34.882 8.137 3.848 282 HD2 TYR 103 HD2 TYR 103 -34.464 4.239 5.504 283 HE1 TYR 103 HE1 TYR 103 -35.522 9.013 6.056 284 HE2 TYR 103 HE2 TYR 103 -35.105 5.105 7.716 285 HH TYR 103 HH TYR 103 -35.357 7.026 8.941 286 H SER 104 H SER 104 -34.619 7.282 1.135 287 HA SER 104 HA SER 104 -34.489 6.031 -1.525 288 HG SER 104 HG SER 104 -36.599 7.509 -0.678 289 H LEU 105 H LEU 105 -32.478 5.145 -1.501 290 HA LEU 105 HA LEU 105 -30.220 6.008 -0.288 291 HG LEU 105 HG LEU 105 -28.354 4.955 -0.630 292 H ILE 106 H ILE 106 -28.857 7.559 -0.446 293 HA ILE 106 HA ILE 106 -28.956 9.345 -2.779 294 HB ILE 106 HB ILE 106 -28.112 9.922 0.061 295 H GLY 107 H GLY 107 -26.901 10.364 -3.391 296 H ASN 108 H ASN 108 -26.426 8.329 -4.903 297 HA ASN 108 HA ASN 108 -26.521 6.394 -6.070 298 H SER 109 H SER 109 -26.651 4.313 -5.673 299 HA SER 109 HA SER 109 -25.622 3.173 -3.334 300 HG SER 109 HG SER 109 -26.762 1.588 -6.642 301 H GLY 110 H GLY 110 -24.337 3.401 -6.525 302 H VAL 111 H VAL 111 -20.708 0.897 -5.399 303 HA VAL 111 HA VAL 111 -19.245 3.212 -4.325 304 HB VAL 111 HB VAL 111 -19.381 0.663 -2.787 305 H LEU 112 H LEU 112 -17.195 3.231 -5.002 306 HA LEU 112 HA LEU 112 -16.105 0.869 -6.278 307 HG LEU 112 HG LEU 112 -13.177 2.084 -6.054 308 H CYS 113 H CYS 113 -14.817 -0.549 -5.344 309 HA CYS 113 HA CYS 113 -13.698 0.000 -2.717 310 H SER 114 H SER 114 -11.847 1.120 -2.730 311 HA SER 114 HA SER 114 -9.602 0.142 -4.251 312 HG SER 114 HG SER 114 -8.852 1.227 -6.285 313 H GLY 115 H GLY 115 -7.606 1.380 -3.778 314 H GLY 116 H GLY 116 -7.995 -0.087 -1.319 315 H GLU 117 H GLU 117 -9.865 1.362 -0.202 316 HA GLU 117 HA GLU 117 -11.658 1.236 2.092 317 H TRP 118 H TRP 118 -13.666 2.696 1.530 318 HA TRP 118 HA TRP 118 -14.416 2.030 -1.233 319 HD1 TRP 118 HD1 TRP 118 -14.796 0.116 2.301 320 HE1 TRP 118 HE1 TRP 118 -14.944 -2.386 1.724 321 HE3 TRP 118 HE3 TRP 118 -17.096 0.464 -2.249 322 HZ2 TRP 118 HZ2 TRP 118 -15.911 -3.996 -0.374 323 HZ3 TRP 118 HZ3 TRP 118 -17.601 -1.606 -3.476 324 HH2 TRP 118 HH2 TRP 118 -17.016 -3.794 -2.556 325 H SER 119 H SER 119 -14.895 3.628 -2.589 326 HA SER 119 HA SER 119 -15.168 6.332 -1.477 327 HG SER 119 HG SER 119 -13.130 5.121 -4.663 328 H ASP 120 H ASP 120 -16.725 7.752 -2.255 329 HA ASP 120 HA ASP 120 -18.737 8.431 -3.048 330 HA PRO 121 HA PRO 121 -20.765 4.841 -0.648 331 HA PRO 122 HA PRO 122 -24.345 7.462 -0.999 332 H THR 123 H THR 123 -26.657 7.386 0.044 333 HA THR 123 HA THR 123 -26.459 6.999 2.946 334 HB THR 123 HB THR 123 -27.963 9.394 2.153 335 HG1 THR 123 HG1 THR 123 -26.404 10.469 1.254 336 H CYS 124 H CYS 124 -29.043 8.210 3.426 337 HA CYS 124 HA CYS 124 -30.907 6.882 1.695 338 H GLN 125 H GLN 125 -31.781 8.892 1.416 339 HA GLN 125 HA GLN 125 -33.122 10.057 3.757 340 H ILE 126 H ILE 126 -35.189 11.063 3.338 341 HA ILE 126 HA ILE 126 -36.795 9.436 1.548 342 HB ILE 126 HB ILE 126 -37.625 11.516 3.572 No H/Q in entry = 342 Start of MODEL 5 1 H ARG 7 H ARG 7 -33.916 -4.964 0.555 2 HA ARG 7 HA ARG 7 -33.815 -2.466 -0.969 3 HE ARG 7 HE ARG 7 -37.542 -2.715 2.985 4 1HH1 ARG 7 1HH1 ARG 7 -38.747 -1.678 -0.116 5 1HH2 ARG 7 1HH2 ARG 7 -39.452 -3.951 3.135 6 H ARG 8 H ARG 8 -31.418 -3.673 -1.068 7 HA ARG 8 HA ARG 8 -29.732 -2.766 1.100 8 HE ARG 8 HE ARG 8 -26.835 -4.372 -3.600 9 1HH1 ARG 8 1HH1 ARG 8 -27.740 -7.690 -3.063 10 1HH2 ARG 8 1HH2 ARG 8 -25.296 -5.195 -5.070 11 H CYS 9 H CYS 9 -27.457 -1.941 -0.066 12 HA CYS 9 HA CYS 9 -28.195 0.692 -1.072 13 HA PRO 10 HA PRO 10 -26.874 0.051 -5.212 14 H SER 11 H SER 11 -24.868 0.251 -6.709 15 HA SER 11 HA SER 11 -22.880 -1.423 -5.720 16 HG SER 11 HG SER 11 -21.255 -1.380 -8.730 17 HA PRO 12 HA PRO 12 -20.793 1.611 -3.097 18 H ARG 13 H ARG 13 -19.095 3.006 -3.402 19 HA ARG 13 HA ARG 13 -18.095 3.343 -6.007 20 HE ARG 13 HE ARG 13 -15.397 7.245 -4.413 21 1HH1 ARG 13 1HH1 ARG 13 -18.388 8.856 -3.656 22 1HH2 ARG 13 1HH2 ARG 13 -14.416 8.742 -2.998 23 H ASP 14 H ASP 14 -16.026 3.102 -6.832 24 HA ASP 14 HA ASP 14 -14.686 0.780 -5.757 25 H ILE 15 H ILE 15 -12.238 0.808 -6.577 26 HA ILE 15 HA ILE 15 -10.941 3.317 -5.817 27 HB ILE 15 HB ILE 15 -11.047 2.132 -3.727 28 H ASP 16 H ASP 16 -8.744 3.475 -6.530 29 HA ASP 16 HA ASP 16 -8.287 1.927 -8.939 30 H ASN 17 H ASN 17 -6.089 2.978 -6.335 31 HA ASN 17 HA ASN 17 -4.441 0.641 -6.841 32 H GLY 18 H GLY 18 -6.952 0.018 -5.736 33 H GLN 19 H GLN 19 -8.174 -2.458 -2.319 34 HA GLN 19 HA GLN 19 -10.037 -3.291 -4.422 35 H LEU 20 H LEU 20 -12.074 -3.182 -3.724 36 HA LEU 20 HA LEU 20 -12.705 -2.475 -1.065 37 HG LEU 20 HG LEU 20 -14.525 -0.837 -1.632 38 H ASP 21 H ASP 21 -13.982 -3.627 0.462 39 HA ASP 21 HA ASP 21 -13.887 -6.558 0.206 40 H ILE 22 H ILE 22 -16.092 -6.124 -0.558 41 HA ILE 22 HA ILE 22 -18.039 -4.961 1.132 42 HB ILE 22 HB ILE 22 -18.459 -6.841 -1.189 43 H GLY 23 H GLY 23 -18.170 -5.883 3.128 44 H GLY 24 H GLY 24 -20.565 -6.566 2.298 45 H VAL 25 H VAL 25 -24.586 -6.266 1.893 46 HA VAL 25 HA VAL 25 -23.808 -3.514 1.176 47 HB VAL 25 HB VAL 25 -24.979 -3.850 -0.991 48 H ASP 26 H ASP 26 -26.154 -5.422 2.678 49 HA ASP 26 HA ASP 26 -28.488 -3.990 1.933 50 H PHE 27 H PHE 27 -29.806 -2.742 3.508 51 HA PHE 27 HA PHE 27 -28.559 -0.388 4.237 52 HD1 PHE 27 HD1 PHE 27 -29.169 1.568 5.023 53 HD2 PHE 27 HD2 PHE 27 -32.279 -0.559 7.008 54 HE1 PHE 27 HE1 PHE 27 -29.456 3.454 6.587 55 HE2 PHE 27 HE2 PHE 27 -32.564 1.315 8.575 56 HZ PHE 27 HZ PHE 27 -31.153 3.318 8.369 57 H GLY 28 H GLY 28 -27.100 0.037 5.708 58 H SER 29 H SER 29 -25.868 -2.123 5.602 59 HA SER 29 HA SER 29 -23.935 -3.755 6.782 60 HG SER 29 HG SER 29 -24.253 -5.491 5.087 61 H SER 30 H SER 30 -21.564 -3.672 5.737 62 HA SER 30 HA SER 30 -20.460 -0.997 5.700 63 HG SER 30 HG SER 30 -21.201 -3.155 8.212 64 H ILE 31 H ILE 31 -18.687 -0.888 4.439 65 HA ILE 31 HA ILE 31 -17.611 -3.422 3.411 66 HB ILE 31 HB ILE 31 -16.690 -0.928 2.144 67 H THR 32 H THR 32 -15.207 -3.175 2.701 68 HA THR 32 HA THR 32 -13.661 -1.640 4.651 69 HB THR 32 HB THR 32 -12.551 -4.312 4.241 70 HG1 THR 32 HG1 THR 32 -14.083 -5.331 5.605 71 H TYR 33 H TYR 33 -12.547 -0.358 3.336 72 HA TYR 33 HA TYR 33 -11.677 -1.212 0.732 73 HD1 TYR 33 HD1 TYR 33 -13.946 1.202 2.109 74 HD2 TYR 33 HD2 TYR 33 -11.376 1.340 -1.275 75 HE1 TYR 33 HE1 TYR 33 -15.847 1.891 0.700 76 HE2 TYR 33 HE2 TYR 33 -13.263 2.027 -2.696 77 HH TYR 33 HH TYR 33 -16.166 3.144 -1.479 78 H SER 34 H SER 34 -9.683 -1.774 0.048 79 HA SER 34 HA SER 34 -7.455 -1.672 1.945 80 HG SER 34 HG SER 34 -7.421 -3.715 3.209 81 H CYS 35 H CYS 35 -5.353 -2.244 0.831 82 HA CYS 35 HA CYS 35 -5.304 -0.865 -1.730 83 H ASN 36 H ASN 36 -3.802 -1.702 -3.433 84 HA ASN 36 HA ASN 36 -4.596 -4.269 -4.246 85 H SER 37 H SER 37 -1.156 -3.493 -4.083 86 HA SER 37 HA SER 37 -0.618 -5.527 -2.115 87 HG SER 37 HG SER 37 -1.478 -7.279 -3.191 88 H GLY 38 H GLY 38 1.195 -5.052 -1.018 89 H TYR 39 H TYR 39 0.549 -2.590 -0.817 90 HA TYR 39 HA TYR 39 1.572 0.161 -1.132 91 HD1 TYR 39 HD1 TYR 39 1.695 -1.063 -3.377 92 HD2 TYR 39 HD2 TYR 39 -1.596 1.632 -3.389 93 HE1 TYR 39 HE1 TYR 39 2.354 -0.274 -5.612 94 HE2 TYR 39 HE2 TYR 39 -0.948 2.431 -5.617 95 HH TYR 39 HH TYR 39 0.416 1.362 -7.632 96 H HIS 40 H HIS 40 -0.200 1.696 -0.023 97 HA HIS 40 HA HIS 40 -1.059 0.573 2.513 98 HD1 HIS 40 HD1 HIS 40 2.695 3.216 3.758 99 HD2 HIS 40 HD2 HIS 40 0.629 3.412 0.163 100 HE1 HIS 40 HE1 HIS 40 4.167 4.532 2.205 101 HE2 HIS 40 HE2 HIS 40 2.895 4.637 0.035 102 H LEU 41 H LEU 41 -2.917 1.450 3.299 103 HA LEU 41 HA LEU 41 -4.375 3.116 1.397 104 HG LEU 41 HG LEU 41 -6.799 3.258 1.848 105 H ILE 42 H ILE 42 -5.178 5.103 1.886 106 HA ILE 42 HA ILE 42 -4.317 6.208 4.471 107 HB ILE 42 HB ILE 42 -5.021 8.020 2.219 108 H GLY 43 H GLY 43 -5.657 7.641 5.590 109 H GLU 44 H GLU 44 -10.282 7.448 5.426 110 HA GLU 44 HA GLU 44 -10.611 5.408 7.335 111 H SER 45 H SER 45 -11.789 3.277 6.571 112 HA SER 45 HA SER 45 -10.620 2.091 4.197 113 HG SER 45 HG SER 45 -10.249 0.471 7.738 114 H LYS 46 H LYS 46 -13.290 2.739 5.303 115 HA LYS 46 HA LYS 46 -14.492 0.119 4.857 116 H SER 47 H SER 47 -17.094 0.661 5.278 117 HA SER 47 HA SER 47 -17.958 3.175 4.280 118 HG SER 47 HG SER 47 -17.499 2.902 0.963 119 H TYR 48 H TYR 48 -19.484 3.197 5.854 120 HA TYR 48 HA TYR 48 -21.102 0.895 6.390 121 HD1 TYR 48 HD1 TYR 48 -19.199 0.914 7.597 122 HD2 TYR 48 HD2 TYR 48 -20.440 4.628 9.258 123 HE1 TYR 48 HE1 TYR 48 -17.062 1.081 8.801 124 HE2 TYR 48 HE2 TYR 48 -18.307 4.806 10.468 125 HH TYR 48 HH TYR 48 -16.418 2.562 11.209 126 H CYS 49 H CYS 49 -22.768 0.310 5.252 127 HA CYS 49 HA CYS 49 -24.057 1.949 3.335 128 H GLU 50 H GLU 50 -25.080 3.726 4.054 129 HA GLU 50 HA GLU 50 -27.227 3.307 6.008 130 H LEU 51 H LEU 51 -28.644 5.310 6.086 131 HA LEU 51 HA LEU 51 -29.388 5.934 3.325 132 HG LEU 51 HG LEU 51 -30.415 7.328 6.480 133 H GLY 52 H GLY 52 -29.568 8.013 2.539 134 H SER 53 H SER 53 -30.725 9.565 1.661 135 HA SER 53 HA SER 53 -29.694 11.618 -0.151 136 HG SER 53 HG SER 53 -28.408 9.754 -2.446 137 H THR 54 H THR 54 -31.686 12.347 1.282 138 HA THR 54 HA THR 54 -33.817 13.145 1.267 139 HB THR 54 HB THR 54 -34.805 13.659 -0.780 140 HG1 THR 54 HG1 THR 54 -34.718 12.377 -2.558 141 H GLY 55 H GLY 55 -33.199 10.326 1.895 142 H SER 56 H SER 56 -32.592 8.581 0.983 143 HA SER 56 HA SER 56 -33.389 6.009 -0.215 144 HG SER 56 HG SER 56 -32.323 5.433 -2.098 145 H MET 57 H MET 57 -30.759 5.253 -0.938 146 HA MET 57 HA MET 57 -29.523 4.842 1.695 147 H VAL 58 H VAL 58 -27.292 4.818 1.789 148 HA VAL 58 HA VAL 58 -25.748 5.427 -0.604 149 HB VAL 58 HB VAL 58 -24.653 7.340 0.815 150 H TRP 59 H TRP 59 -23.346 6.011 0.377 151 HA TRP 59 HA TRP 59 -22.762 3.927 2.369 152 HD1 TRP 59 HD1 TRP 59 -23.240 3.198 -1.644 153 HE1 TRP 59 HE1 TRP 59 -23.961 0.726 -1.738 154 HE3 TRP 59 HE3 TRP 59 -20.887 1.514 2.572 155 HZ2 TRP 59 HZ2 TRP 59 -23.570 -1.625 -0.216 156 HZ3 TRP 59 HZ3 TRP 59 -21.104 -0.861 3.173 157 HH2 TRP 59 HH2 TRP 59 -22.418 -2.381 1.817 158 H ASN 60 H ASN 60 -21.725 4.674 4.094 159 HA ASN 60 HA ASN 60 -19.850 6.903 3.778 160 HA PRO 61 HA PRO 61 -18.041 7.582 4.396 161 H GLU 62 H GLU 62 -16.193 7.356 2.457 162 HA GLU 62 HA GLU 62 -17.361 5.400 0.620 163 H ALA 63 H ALA 63 -15.269 5.961 -1.363 164 HA ALA 63 HA ALA 63 -13.368 3.991 -0.517 165 HA PRO 64 HA PRO 64 -10.670 7.222 1.130 166 H ILE 65 H ILE 65 -7.858 6.513 1.236 167 HA ILE 65 HA ILE 65 -7.237 6.807 -1.621 168 HB ILE 65 HB ILE 65 -5.116 7.410 0.326 169 H CYS 66 H CYS 66 -4.785 6.166 -1.989 170 HA CYS 66 HA CYS 66 -3.768 3.920 -0.602 171 H GLU 67 H GLU 67 -1.650 3.890 -0.966 172 HA GLU 67 HA GLU 67 -0.645 4.761 -3.581 173 H SER 68 H SER 68 1.852 4.357 -3.613 174 HA SER 68 HA SER 68 2.214 1.586 -2.751 175 HG SER 68 HG SER 68 5.219 2.681 -4.168 176 H VAL 69 H VAL 69 3.475 1.080 -1.119 177 HA VAL 69 HA VAL 69 4.707 2.837 0.591 178 HB VAL 69 HB VAL 69 6.063 0.906 1.381 179 H LYS 70 H LYS 70 5.929 4.407 -0.461 180 HA LYS 70 HA LYS 70 8.065 3.658 -2.233 181 H CYS 71 H CYS 71 10.132 3.294 -1.760 182 HA CYS 71 HA CYS 71 11.086 3.954 0.951 183 H GLN 72 H GLN 72 12.491 5.565 1.044 184 HA GLN 72 HA GLN 72 13.554 6.740 -1.304 185 H SER 73 H SER 73 16.173 7.445 -0.440 186 HA SER 73 HA SER 73 17.727 5.590 -1.697 187 HG SER 73 HG SER 73 20.201 6.858 0.813 188 HA PRO 74 HA PRO 74 17.812 1.976 0.869 189 HA PRO 75 HA PRO 75 19.757 2.720 4.737 190 H SER 76 H SER 76 21.750 3.318 5.703 191 HA SER 76 HA SER 76 23.897 3.797 3.748 192 HG SER 76 HG SER 76 22.743 6.904 4.480 193 H ILE 77 H ILE 77 24.957 1.825 4.085 194 HA ILE 77 HA ILE 77 25.688 0.865 6.650 195 HB ILE 77 HB ILE 77 27.110 -0.717 5.500 196 H SER 78 H SER 78 28.211 0.303 6.870 197 HA SER 78 HA SER 78 29.538 2.912 6.978 198 HG SER 78 HG SER 78 28.835 2.625 9.183 199 H ASN 79 H ASN 79 31.610 3.236 6.169 200 HA ASN 79 HA ASN 79 33.238 3.075 4.589 201 H GLY 80 H GLY 80 30.469 2.819 3.704 202 H ARG 81 H ARG 81 28.580 1.545 -0.027 203 HA ARG 81 HA ARG 81 26.379 2.942 1.083 204 HE ARG 81 HE ARG 81 28.883 5.852 -3.214 205 1HH1 ARG 81 1HH1 ARG 81 30.150 8.102 -0.878 206 1HH2 ARG 81 1HH2 ARG 81 29.680 7.289 -4.795 207 H HIS 82 H HIS 82 24.886 3.588 -1.002 208 HA HIS 82 HA HIS 82 24.600 1.061 -2.429 209 HD1 HIS 82 HD1 HIS 82 23.093 3.674 0.218 210 HD2 HIS 82 HD2 HIS 82 21.814 4.806 -3.568 211 HE1 HIS 82 HE1 HIS 82 22.378 6.075 0.440 212 HE2 HIS 82 HE2 HIS 82 21.608 6.740 -1.865 213 H ASN 83 H ASN 83 23.684 1.400 -4.799 214 HA ASN 83 HA ASN 83 25.649 3.142 -6.124 215 H GLY 84 H GLY 84 22.234 2.250 -6.134 216 H TYR 85 H TYR 85 21.097 5.220 -5.318 217 HA TYR 85 HA TYR 85 21.331 7.354 -4.729 218 HD1 TYR 85 HD1 TYR 85 23.236 5.591 -4.615 219 HD2 TYR 85 HD2 TYR 85 24.692 9.493 -5.468 220 HE1 TYR 85 HE1 TYR 85 24.927 5.330 -2.862 221 HE2 TYR 85 HE2 TYR 85 26.398 9.245 -3.713 222 HH TYR 85 HH TYR 85 26.792 7.948 -1.701 223 H GLU 86 H GLU 86 19.166 6.307 -6.380 224 HA GLU 86 HA GLU 86 18.426 8.256 -8.255 225 H ASP 87 H ASP 87 16.091 7.578 -5.754 226 HA ASP 87 HA ASP 87 16.410 9.794 -4.168 227 H PHE 88 H PHE 88 14.199 7.601 -5.740 228 HA PHE 88 HA PHE 88 13.111 6.834 -3.171 229 HD1 PHE 88 HD1 PHE 88 10.330 7.235 -2.008 230 HD2 PHE 88 HD2 PHE 88 12.313 10.326 -4.150 231 HE1 PHE 88 HE1 PHE 88 9.958 8.768 -0.129 232 HE2 PHE 88 HE2 PHE 88 11.945 11.870 -2.276 233 HZ PHE 88 HZ PHE 88 10.761 11.096 -0.256 234 H TYR 89 H TYR 89 11.762 4.932 -3.283 235 HA TYR 89 HA TYR 89 11.935 3.354 -5.730 236 HD1 TYR 89 HD1 TYR 89 14.495 4.540 -3.266 237 HD2 TYR 89 HD2 TYR 89 14.668 1.293 -6.012 238 HE1 TYR 89 HE1 TYR 89 16.731 5.276 -3.983 239 HE2 TYR 89 HE2 TYR 89 16.904 2.014 -6.733 240 HH TYR 89 HH TYR 89 18.855 3.824 -5.152 241 H THR 90 H THR 90 10.711 1.206 -5.387 242 HA THR 90 HA THR 90 8.513 1.587 -3.471 243 HB THR 90 HB THR 90 6.986 0.686 -5.320 244 HG1 THR 90 HG1 THR 90 8.776 0.105 -6.708 245 H ASP 91 H ASP 91 7.022 -0.488 -3.641 246 HA ASP 91 HA ASP 91 8.523 -2.626 -2.616 247 H GLY 92 H GLY 92 9.968 -3.498 -3.862 248 H SER 93 H SER 93 11.450 -2.716 -4.850 249 HA SER 93 HA SER 93 12.948 -2.578 -7.371 250 HG SER 93 HG SER 93 11.198 -0.322 -6.720 251 H VAL 94 H VAL 94 15.294 -2.437 -7.287 252 HA VAL 94 HA VAL 94 16.479 -3.678 -4.911 253 HB VAL 94 HB VAL 94 16.888 -4.629 -7.747 254 H VAL 95 H VAL 95 18.700 -3.329 -4.635 255 HA VAL 95 HA VAL 95 20.050 -1.473 -6.429 256 HB VAL 95 HB VAL 95 19.741 -0.853 -3.494 257 H THR 96 H THR 96 22.307 -1.455 -6.180 258 HA THR 96 HA THR 96 23.330 -3.720 -4.610 259 HB THR 96 HB THR 96 25.263 -2.925 -6.514 260 HG1 THR 96 HG1 THR 96 22.699 -3.247 -7.679 261 H TYR 97 H TYR 97 24.662 -3.326 -3.005 262 HA TYR 97 HA TYR 97 25.487 -0.622 -2.474 263 HD1 TYR 97 HD1 TYR 97 23.100 -1.705 -1.810 264 HD2 TYR 97 HD2 TYR 97 25.685 -1.025 1.499 265 HE1 TYR 97 HE1 TYR 97 21.265 -0.604 -0.613 266 HE2 TYR 97 HE2 TYR 97 23.849 0.072 2.712 267 HH TYR 97 HH TYR 97 21.536 1.373 1.751 268 H SER 98 H SER 98 27.618 0.017 -1.985 269 HA SER 98 HA SER 98 29.808 -1.686 -2.816 270 HG SER 98 HG SER 98 28.756 1.465 -5.039 271 H CYS 99 H CYS 99 31.809 -1.009 -2.093 272 HA CYS 99 HA CYS 99 31.809 0.600 0.223 273 H ASN 100 H ASN 100 33.206 2.439 0.637 274 HA ASN 100 HA ASN 100 32.949 4.425 -1.448 275 H SER 101 H SER 101 35.659 3.700 0.751 276 HA SER 101 HA SER 101 37.560 4.767 -1.106 277 HG SER 101 HG SER 101 38.450 6.034 0.909 278 H GLY 102 H GLY 102 36.785 1.501 0.062 279 H TYR 103 H TYR 103 36.004 -0.239 0.420 280 HA TYR 103 HA TYR 103 37.437 -2.253 1.883 281 HD1 TYR 103 HD1 TYR 103 36.494 0.995 2.665 282 HD2 TYR 103 HD2 TYR 103 36.101 -2.543 4.991 283 HE1 TYR 103 HE1 TYR 103 37.626 2.111 4.542 284 HE2 TYR 103 HE2 TYR 103 37.235 -1.441 6.873 285 HH TYR 103 HH TYR 103 38.927 1.458 6.561 286 H SER 104 H SER 104 35.468 -4.124 2.501 287 HA SER 104 HA SER 104 35.003 -5.398 -0.109 288 HG SER 104 HG SER 104 37.228 -5.595 1.950 289 H LEU 105 H LEU 105 32.906 -5.094 -0.584 290 HA LEU 105 HA LEU 105 30.751 -4.686 1.036 291 HG LEU 105 HG LEU 105 29.033 -4.305 -2.095 292 H ILE 106 H ILE 106 29.913 -5.826 2.595 293 HA ILE 106 HA ILE 106 30.445 -8.682 2.776 294 HB ILE 106 HB ILE 106 29.201 -6.799 4.764 295 H GLY 107 H GLY 107 28.695 -10.130 3.451 296 H ASN 108 H ASN 108 24.725 -8.931 1.698 297 HA ASN 108 HA ASN 108 25.603 -9.599 -1.034 298 H SER 109 H SER 109 25.936 -7.880 -2.268 299 HA SER 109 HA SER 109 25.537 -5.245 -1.426 300 HG SER 109 HG SER 109 26.386 -4.135 -4.664 301 H GLY 110 H GLY 110 23.474 -7.467 -3.083 302 H VAL 111 H VAL 111 19.875 -4.632 -3.315 303 HA VAL 111 HA VAL 111 18.969 -5.435 -0.639 304 HB VAL 111 HB VAL 111 18.980 -2.560 -1.424 305 H LEU 112 H LEU 112 16.899 -6.010 -0.721 306 HA LEU 112 HA LEU 112 15.282 -5.255 -2.991 307 HG LEU 112 HG LEU 112 12.608 -6.077 -1.326 308 H CYS 113 H CYS 113 14.082 -3.506 -3.068 309 HA CYS 113 HA CYS 113 13.359 -2.079 -0.643 310 H SER 114 H SER 114 11.768 -3.119 0.403 311 HA SER 114 HA SER 114 9.244 -3.509 -1.035 312 HG SER 114 HG SER 114 8.828 -5.641 1.591 313 H GLY 115 H GLY 115 7.383 -3.713 0.411 314 H GLY 116 H GLY 116 8.144 -0.970 0.702 315 H GLU 117 H GLU 117 10.061 -1.080 2.369 316 HA GLU 117 HA GLU 117 12.137 0.719 3.396 317 H TRP 118 H TRP 118 14.128 -0.893 3.960 318 HA TRP 118 HA TRP 118 14.560 -2.429 1.492 319 HD1 TRP 118 HD1 TRP 118 15.381 1.466 2.578 320 HE1 TRP 118 HE1 TRP 118 15.220 2.790 0.380 321 HE3 TRP 118 HE3 TRP 118 16.767 -2.214 -0.688 322 HZ2 TRP 118 HZ2 TRP 118 15.635 2.335 -2.372 323 HZ3 TRP 118 HZ3 TRP 118 16.856 -1.687 -3.089 324 HH2 TRP 118 HH2 TRP 118 16.302 0.546 -3.911 325 H SER 119 H SER 119 15.567 -4.419 1.589 326 HA SER 119 HA SER 119 16.018 -5.522 4.277 327 HG SER 119 HG SER 119 13.469 -6.990 1.578 328 H ASP 120 H ASP 120 17.590 -7.104 4.464 329 HA ASP 120 HA ASP 120 19.459 -8.297 3.977 330 HA PRO 121 HA PRO 121 21.542 -4.246 2.613 331 HA PRO 122 HA PRO 122 25.194 -6.519 3.782 332 H THR 123 H THR 123 27.613 -5.907 3.947 333 HA THR 123 HA THR 123 27.963 -3.416 5.481 334 HB THR 123 HB THR 123 29.803 -5.444 6.370 335 HG1 THR 123 HG1 THR 123 27.118 -6.063 6.980 336 H CYS 124 H CYS 124 30.706 -3.751 5.876 337 HA CYS 124 HA CYS 124 31.956 -4.328 3.396 338 H GLN 125 H GLN 125 33.450 -5.333 4.613 339 HA GLN 125 HA GLN 125 35.145 -3.628 6.312 340 H ILE 126 H ILE 126 37.373 -4.756 6.592 341 HA ILE 126 HA ILE 126 38.442 -5.091 3.897 342 HB ILE 126 HB ILE 126 39.805 -4.577 6.539 No H/Q in entry = 342 Start of MODEL 6 1 H ARG 7 H ARG 7 -34.737 2.920 3.739 2 HA ARG 7 HA ARG 7 -33.944 2.825 1.038 3 HE ARG 7 HE ARG 7 -34.738 7.881 2.758 4 1HH1 ARG 7 1HH1 ARG 7 -37.604 6.103 3.627 5 1HH2 ARG 7 1HH2 ARG 7 -35.067 9.045 4.692 6 H ARG 8 H ARG 8 -31.791 4.732 1.035 7 HA ARG 8 HA ARG 8 -29.558 4.607 0.634 8 HE ARG 8 HE ARG 8 -29.510 8.400 4.021 9 1HH1 ARG 8 1HH1 ARG 8 -31.394 6.155 5.900 10 1HH2 ARG 8 1HH2 ARG 8 -30.968 9.994 4.755 11 H CYS 9 H CYS 9 -27.515 3.135 1.689 12 HA CYS 9 HA CYS 9 -28.073 0.441 0.642 13 HA PRO 10 HA PRO 10 -26.854 -1.391 4.471 14 H SER 11 H SER 11 -24.831 -2.029 5.762 15 HA SER 11 HA SER 11 -23.071 0.053 5.834 16 HG SER 11 HG SER 11 -22.229 -3.616 7.232 17 HA PRO 12 HA PRO 12 -20.727 -0.386 2.050 18 H ARG 13 H ARG 13 -19.141 -1.725 1.316 19 HA ARG 13 HA ARG 13 -18.250 -3.882 2.839 20 HE ARG 13 HE ARG 13 -19.757 -6.395 -0.080 21 1HH1 ARG 13 1HH1 ARG 13 -16.480 -7.571 -0.199 22 1HH2 ARG 13 1HH2 ARG 13 -20.341 -8.544 0.408 23 H ASP 14 H ASP 14 -15.645 -4.247 2.770 24 HA ASP 14 HA ASP 14 -14.361 -1.889 3.903 25 H ILE 15 H ILE 15 -12.076 -2.627 4.712 26 HA ILE 15 HA ILE 15 -10.844 -4.446 2.774 27 HB ILE 15 HB ILE 15 -10.622 -2.308 1.731 28 H ASP 16 H ASP 16 -8.746 -5.194 3.420 29 HA ASP 16 HA ASP 16 -8.545 -5.515 6.263 30 H ASN 17 H ASN 17 -6.021 -4.600 3.919 31 HA ASN 17 HA ASN 17 -4.699 -3.080 6.029 32 H GLY 18 H GLY 18 -7.116 -2.003 5.095 33 H GLN 19 H GLN 19 -8.107 2.100 3.848 34 HA GLN 19 HA GLN 19 -10.058 1.687 5.984 35 H LEU 20 H LEU 20 -12.036 2.452 5.459 36 HA LEU 20 HA LEU 20 -12.363 3.582 2.821 37 HG LEU 20 HG LEU 20 -14.312 2.171 1.849 38 H ASP 21 H ASP 21 -13.520 5.443 2.332 39 HA ASP 21 HA ASP 21 -13.764 7.423 4.496 40 H ILE 22 H ILE 22 -15.956 6.691 4.655 41 HA ILE 22 HA ILE 22 -17.716 6.798 2.420 42 HB ILE 22 HB ILE 22 -18.477 6.733 5.332 43 H GLY 23 H GLY 23 -18.493 8.526 1.505 44 H GLY 24 H GLY 24 -20.661 8.415 2.588 45 H VAL 25 H VAL 25 -24.898 7.803 2.092 46 HA VAL 25 HA VAL 25 -23.892 5.207 1.200 47 HB VAL 25 HB VAL 25 -24.982 3.990 2.991 48 H ASP 26 H ASP 26 -25.713 7.399 0.214 49 HA ASP 26 HA ASP 26 -28.274 5.998 0.082 50 H PHE 27 H PHE 27 -29.340 5.711 -2.004 51 HA PHE 27 HA PHE 27 -27.806 4.262 -3.817 52 HD1 PHE 27 HD1 PHE 27 -27.862 3.346 -5.525 53 HD2 PHE 27 HD2 PHE 27 -31.888 4.635 -6.042 54 HE1 PHE 27 HE1 PHE 27 -27.945 2.208 -7.706 55 HE2 PHE 27 HE2 PHE 27 -31.973 3.503 -8.224 56 HZ PHE 27 HZ PHE 27 -30.000 2.289 -9.058 57 H GLY 28 H GLY 28 -25.981 5.500 -4.355 58 H SER 29 H SER 29 -25.218 7.074 -3.269 59 HA SER 29 HA SER 29 -23.377 9.197 -3.171 60 HG SER 29 HG SER 29 -23.698 9.828 -1.255 61 H SER 30 H SER 30 -21.106 8.363 -1.932 62 HA SER 30 HA SER 30 -19.882 6.211 -3.381 63 HG SER 30 HG SER 30 -18.280 9.645 -3.537 64 H ILE 31 H ILE 31 -18.118 5.426 -2.415 65 HA ILE 31 HA ILE 31 -17.234 6.759 0.052 66 HB ILE 31 HB ILE 31 -16.293 4.009 -0.409 67 H THR 32 H THR 32 -14.814 6.049 0.564 68 HA THR 32 HA THR 32 -13.189 6.203 -1.870 69 HB THR 32 HB THR 32 -12.169 7.852 0.336 70 HG1 THR 32 HG1 THR 32 -14.621 8.437 -0.918 71 H TYR 33 H TYR 33 -11.917 4.459 -1.804 72 HA TYR 33 HA TYR 33 -11.195 3.313 0.754 73 HD1 TYR 33 HD1 TYR 33 -13.513 2.797 -1.143 74 HD2 TYR 33 HD2 TYR 33 -10.844 -0.320 -0.054 75 HE1 TYR 33 HE1 TYR 33 -15.434 1.389 -0.509 76 HE2 TYR 33 HE2 TYR 33 -12.758 -1.758 0.559 77 HH TYR 33 HH TYR 33 -15.936 -1.041 -0.272 78 H SER 34 H SER 34 -9.135 2.898 1.482 79 HA SER 34 HA SER 34 -6.842 3.989 0.103 80 HG SER 34 HG SER 34 -6.941 7.132 1.285 81 H CYS 35 H CYS 35 -4.821 3.603 1.351 82 HA CYS 35 HA CYS 35 -4.986 1.010 2.638 83 H ASN 36 H ASN 36 -3.594 0.588 4.575 84 HA ASN 36 HA ASN 36 -4.391 2.261 6.713 85 H SER 37 H SER 37 -1.039 1.388 5.877 86 HA SER 37 HA SER 37 -0.183 4.117 5.785 87 HG SER 37 HG SER 37 -0.453 4.508 9.012 88 H GLY 38 H GLY 38 1.789 4.340 4.816 89 H TYR 39 H TYR 39 0.882 2.572 2.897 90 HA TYR 39 HA TYR 39 1.724 0.104 1.512 91 HD1 TYR 39 HD1 TYR 39 1.778 -0.349 3.957 92 HD2 TYR 39 HD2 TYR 39 -1.715 -2.115 2.291 93 HE1 TYR 39 HE1 TYR 39 2.234 -2.419 5.206 94 HE2 TYR 39 HE2 TYR 39 -1.268 -4.187 3.531 95 HH TYR 39 HH TYR 39 0.098 -4.703 5.827 96 H HIS 40 H HIS 40 0.087 -0.315 -0.406 97 HA HIS 40 HA HIS 40 -0.514 2.173 -1.788 98 HD1 HIS 40 HD1 HIS 40 3.071 0.226 -4.343 99 HD2 HIS 40 HD2 HIS 40 0.592 -1.693 -1.623 100 HE1 HIS 40 HE1 HIS 40 4.120 -2.023 -3.944 101 HE2 HIS 40 HE2 HIS 40 2.602 -3.167 -2.293 102 H LEU 41 H LEU 41 -2.321 2.113 -3.015 103 HA LEU 41 HA LEU 41 -4.086 -0.111 -2.402 104 HG LEU 41 HG LEU 41 -6.318 0.406 -3.793 105 H ILE 42 H ILE 42 -5.013 -1.449 -3.864 106 HA ILE 42 HA ILE 42 -4.191 -1.072 -6.660 107 HB ILE 42 HB ILE 42 -4.952 -3.803 -5.935 108 H GLY 43 H GLY 43 -5.641 -1.008 -8.136 109 H GLU 44 H GLU 44 -10.044 -0.329 -7.486 110 HA GLU 44 HA GLU 44 -9.606 2.405 -8.362 111 H SER 45 H SER 45 -10.937 3.952 -6.618 112 HA SER 45 HA SER 45 -9.951 3.426 -3.923 113 HG SER 45 HG SER 45 -8.949 5.272 -6.703 114 H LYS 46 H LYS 46 -12.552 3.618 -5.331 115 HA LYS 46 HA LYS 46 -13.907 5.201 -3.366 116 H SER 47 H SER 47 -15.731 4.185 -2.856 117 HA SER 47 HA SER 47 -16.743 2.140 -4.689 118 HG SER 47 HG SER 47 -15.541 0.965 -2.892 119 H TYR 48 H TYR 48 -18.938 2.061 -5.274 120 HA TYR 48 HA TYR 48 -20.384 4.597 -4.887 121 HD1 TYR 48 HD1 TYR 48 -18.716 5.827 -6.088 122 HD2 TYR 48 HD2 TYR 48 -19.006 2.667 -8.920 123 HE1 TYR 48 HE1 TYR 48 -16.509 6.436 -6.982 124 HE2 TYR 48 HE2 TYR 48 -16.800 3.264 -9.822 125 HH TYR 48 HH TYR 48 -15.397 5.714 -9.785 126 H CYS 49 H CYS 49 -22.334 4.455 -4.057 127 HA CYS 49 HA CYS 49 -23.466 1.905 -3.382 128 H GLU 50 H GLU 50 -23.991 0.906 -5.285 129 HA GLU 50 HA GLU 50 -26.074 2.206 -6.908 130 H LEU 51 H LEU 51 -27.275 0.410 -8.246 131 HA LEU 51 HA LEU 51 -28.673 -1.177 -6.302 132 HG LEU 51 HG LEU 51 -30.297 0.552 -7.037 133 H GLY 52 H GLY 52 -29.106 -3.439 -6.503 134 H SER 53 H SER 53 -27.453 -7.447 -7.132 135 HA SER 53 HA SER 53 -28.072 -9.165 -5.779 136 HG SER 53 HG SER 53 -28.986 -8.638 -2.392 137 H THR 54 H THR 54 -29.620 -8.864 -7.784 138 HA THR 54 HA THR 54 -31.638 -9.523 -8.612 139 HB THR 54 HB THR 54 -33.100 -10.732 -7.293 140 HG1 THR 54 HG1 THR 54 -33.490 -10.252 -5.111 141 H GLY 55 H GLY 55 -30.976 -6.686 -7.559 142 H SER 56 H SER 56 -30.865 -5.250 -5.931 143 HA SER 56 HA SER 56 -32.535 -3.678 -4.080 144 HG SER 56 HG SER 56 -31.715 -5.253 -1.262 145 H MET 57 H MET 57 -30.644 -2.943 -2.250 146 HA MET 57 HA MET 57 -29.004 -1.115 -3.841 147 H VAL 58 H VAL 58 -26.955 -1.573 -4.175 148 HA VAL 58 HA VAL 58 -25.434 -2.952 -2.075 149 HB VAL 58 HB VAL 58 -24.195 -4.203 -3.821 150 H TRP 59 H TRP 59 -22.959 -2.953 -3.011 151 HA TRP 59 HA TRP 59 -22.416 -0.148 -3.727 152 HD1 TRP 59 HD1 TRP 59 -23.050 -1.715 -0.068 153 HE1 TRP 59 HE1 TRP 59 -23.853 0.253 1.389 154 HE3 TRP 59 HE3 TRP 59 -20.476 2.067 -2.346 155 HZ2 TRP 59 HZ2 TRP 59 -23.423 3.047 1.545 156 HZ3 TRP 59 HZ3 TRP 59 -20.728 4.354 -1.483 157 HH2 TRP 59 HH2 TRP 59 -22.165 4.830 0.412 158 H ASN 60 H ASN 60 -20.906 0.262 -5.269 159 HA ASN 60 HA ASN 60 -19.241 -1.897 -6.296 160 HA PRO 61 HA PRO 61 -17.746 -2.180 -7.901 161 H GLU 62 H GLU 62 -15.398 -3.396 -6.769 162 HA GLU 62 HA GLU 62 -16.470 -4.320 -4.339 163 H ALA 63 H ALA 63 -13.389 -4.183 -3.290 164 HA ALA 63 HA ALA 63 -13.979 -2.177 -1.416 165 HA PRO 64 HA PRO 64 -11.224 -3.399 -3.617 166 H ILE 65 H ILE 65 -8.260 -3.508 -3.921 167 HA ILE 65 HA ILE 65 -7.733 -4.146 -1.150 168 HB ILE 65 HB ILE 65 -5.522 -5.053 -2.246 169 H CYS 66 H CYS 66 -5.325 -4.056 -0.553 170 HA CYS 66 HA CYS 66 -3.862 -1.701 -1.316 171 H GLU 67 H GLU 67 -1.915 -2.581 -1.484 172 HA GLU 67 HA GLU 67 -1.129 -4.672 0.415 173 H SER 68 H SER 68 1.401 -4.701 0.693 174 HA SER 68 HA SER 68 2.090 -2.086 1.811 175 HG SER 68 HG SER 68 3.803 -5.619 2.391 176 H VAL 69 H VAL 69 3.469 -0.812 0.827 177 HA VAL 69 HA VAL 69 4.627 -1.163 -1.607 178 HB VAL 69 HB VAL 69 6.308 0.568 -0.901 179 H LYS 70 H LYS 70 5.635 -3.086 -2.014 180 HA LYS 70 HA LYS 70 7.707 -4.084 -0.262 181 H CYS 71 H CYS 71 9.718 -3.330 -0.340 182 HA CYS 71 HA CYS 71 10.737 -2.208 -2.848 183 H GLN 72 H GLN 72 11.906 -3.430 -4.120 184 HA GLN 72 HA GLN 72 12.751 -6.034 -3.369 185 H SER 73 H SER 73 15.298 -6.107 -4.734 186 HA SER 73 HA SER 73 17.043 -5.816 -2.633 187 HG SER 73 HG SER 73 19.338 -5.158 -3.742 188 HA PRO 74 HA PRO 74 17.605 -1.471 -2.070 189 HA PRO 75 HA PRO 75 19.332 0.325 -5.685 190 H SER 76 H SER 76 21.240 0.536 -6.880 191 HA SER 76 HA SER 76 23.527 -0.919 -5.753 192 HG SER 76 HG SER 76 21.562 -2.061 -7.845 193 H ILE 77 H ILE 77 24.547 0.741 -4.656 194 HA ILE 77 HA ILE 77 24.995 3.309 -5.751 195 HB ILE 77 HB ILE 77 26.540 3.669 -3.908 196 H SER 78 H SER 78 27.192 4.240 -6.062 197 HA SER 78 HA SER 78 28.570 2.709 -8.063 198 HG SER 78 HG SER 78 27.702 4.893 -9.140 199 H ASN 79 H ASN 79 30.573 1.811 -7.978 200 HA ASN 79 HA ASN 79 32.318 0.704 -7.033 201 H GLY 80 H GLY 80 29.643 0.385 -5.817 202 H ARG 81 H ARG 81 28.161 -1.485 -2.194 203 HA ARG 81 HA ARG 81 25.964 -2.040 -3.905 204 HE ARG 81 HE ARG 81 30.453 -5.761 -2.819 205 1HH1 ARG 81 1HH1 ARG 81 29.710 -6.913 -6.019 206 1HH2 ARG 81 1HH2 ARG 81 32.244 -7.169 -2.898 207 H HIS 82 H HIS 82 24.629 -3.958 -2.697 208 HA HIS 82 HA HIS 82 24.362 -2.977 0.047 209 HD1 HIS 82 HD1 HIS 82 22.643 -6.540 -1.240 210 HD2 HIS 82 HD2 HIS 82 21.609 -3.388 -3.743 211 HE1 HIS 82 HE1 HIS 82 21.893 -7.606 -3.391 212 HE2 HIS 82 HE2 HIS 82 21.270 -5.680 -4.891 213 H ASN 83 H ASN 83 23.210 -4.750 1.453 214 HA ASN 83 HA ASN 83 24.696 -7.294 1.267 215 H GLY 84 H GLY 84 21.911 -6.391 0.607 216 H TYR 85 H TYR 85 18.744 -8.508 3.193 217 HA TYR 85 HA TYR 85 20.174 -11.060 3.393 218 HD1 TYR 85 HD1 TYR 85 21.292 -9.230 4.637 219 HD2 TYR 85 HD2 TYR 85 17.731 -8.972 6.950 220 HE1 TYR 85 HE1 TYR 85 22.180 -7.237 5.769 221 HE2 TYR 85 HE2 TYR 85 18.609 -6.978 8.090 222 HH TYR 85 HH TYR 85 21.141 -6.085 8.549 223 H GLU 86 H GLU 86 16.994 -9.691 2.816 224 HA GLU 86 HA GLU 86 16.039 -12.287 1.896 225 H ASP 87 H ASP 87 14.185 -11.774 0.103 226 HA ASP 87 HA ASP 87 15.697 -10.701 -2.150 227 H PHE 88 H PHE 88 12.954 -10.038 -0.166 228 HA PHE 88 HA PHE 88 12.500 -7.564 -1.673 229 HD1 PHE 88 HD1 PHE 88 11.041 -10.607 -3.110 230 HD2 PHE 88 HD2 PHE 88 9.757 -6.576 -2.680 231 HE1 PHE 88 HE1 PHE 88 10.580 -10.500 -5.524 232 HE2 PHE 88 HE2 PHE 88 9.296 -6.458 -5.084 233 HZ PHE 88 HZ PHE 88 9.704 -8.421 -6.519 234 H TYR 89 H TYR 89 11.249 -5.940 -0.336 235 HA TYR 89 HA TYR 89 11.652 -6.251 2.538 236 HD1 TYR 89 HD1 TYR 89 13.992 -5.857 -0.401 237 HD2 TYR 89 HD2 TYR 89 14.684 -5.165 3.739 238 HE1 TYR 89 HE1 TYR 89 16.115 -7.079 -0.558 239 HE2 TYR 89 HE2 TYR 89 16.820 -6.378 3.587 240 HH TYR 89 HH TYR 89 17.600 -8.433 1.371 241 H THR 90 H THR 90 10.708 -4.405 3.768 242 HA THR 90 HA THR 90 8.688 -2.878 2.330 243 HB THR 90 HB THR 90 6.988 -3.636 4.110 244 HG1 THR 90 HG1 THR 90 8.644 -5.920 4.200 245 H ASP 91 H ASP 91 7.278 -1.743 4.238 246 HA ASP 91 HA ASP 91 8.891 0.234 5.274 247 H GLY 92 H GLY 92 10.626 -0.466 6.381 248 H SER 93 H SER 93 12.247 -1.555 6.250 249 HA SER 93 HA SER 93 13.758 -3.768 7.474 250 HG SER 93 HG SER 93 11.528 -4.016 5.695 251 H VAL 94 H VAL 94 16.027 -3.883 7.146 252 HA VAL 94 HA VAL 94 17.349 -1.504 6.111 253 HB VAL 94 HB VAL 94 17.746 -2.489 8.937 254 H VAL 95 H VAL 95 19.223 -1.938 5.128 255 HA VAL 95 HA VAL 95 20.500 -4.513 5.589 256 HB VAL 95 HB VAL 95 20.660 -4.975 3.320 257 H THR 96 H THR 96 22.744 -4.549 5.179 258 HA THR 96 HA THR 96 23.961 -1.918 5.429 259 HB THR 96 HB THR 96 25.808 -4.166 5.442 260 HG1 THR 96 HG1 THR 96 23.659 -4.224 7.291 261 H TYR 97 H TYR 97 25.639 -1.192 4.088 262 HA TYR 97 HA TYR 97 25.613 -2.423 1.430 263 HD1 TYR 97 HD1 TYR 97 23.490 -1.582 2.003 264 HD2 TYR 97 HD2 TYR 97 25.343 1.180 -0.652 265 HE1 TYR 97 HE1 TYR 97 21.409 -1.416 0.740 266 HE2 TYR 97 HE2 TYR 97 23.248 1.361 -1.922 267 HH TYR 97 HH TYR 97 21.221 0.348 -2.288 268 H SER 98 H SER 98 27.594 -2.414 0.188 269 HA SER 98 HA SER 98 30.059 -2.199 1.756 270 HG SER 98 HG SER 98 30.429 -5.020 -0.552 271 H CYS 99 H CYS 99 31.911 -1.816 0.582 272 HA CYS 99 HA CYS 99 31.623 -0.653 -1.957 273 H ASN 100 H ASN 100 32.828 -1.225 -3.884 274 HA ASN 100 HA ASN 100 32.143 -3.689 -4.909 275 H SER 101 H SER 101 35.547 -2.833 -4.711 276 HA SER 101 HA SER 101 36.125 -5.617 -3.993 277 HG SER 101 HG SER 101 38.766 -5.712 -6.179 278 H GLY 102 H GLY 102 36.702 -2.298 -3.086 279 H TYR 103 H TYR 103 36.032 -0.827 -2.160 280 HA TYR 103 HA TYR 103 37.460 1.603 -1.972 281 HD1 TYR 103 HD1 TYR 103 35.662 4.206 -2.551 282 HD2 TYR 103 HD2 TYR 103 36.017 0.787 -5.031 283 HE1 TYR 103 HE1 TYR 103 36.352 5.656 -4.420 284 HE2 TYR 103 HE2 TYR 103 36.692 2.217 -6.923 285 HH TYR 103 HH TYR 103 36.415 5.636 -6.826 286 H SER 104 H SER 104 35.731 3.396 -0.794 287 HA SER 104 HA SER 104 35.459 2.424 1.976 288 HG SER 104 HG SER 104 36.919 3.175 3.352 289 H LEU 105 H LEU 105 33.398 2.396 2.437 290 HA LEU 105 HA LEU 105 31.469 3.690 0.887 291 HG LEU 105 HG LEU 105 29.581 2.827 0.853 292 H ILE 106 H ILE 106 30.166 5.327 1.248 293 HA ILE 106 HA ILE 106 30.798 7.127 3.485 294 HB ILE 106 HB ILE 106 29.993 7.813 0.656 295 H GLY 107 H GLY 107 29.059 8.532 4.183 296 H ASN 108 H ASN 108 28.083 6.488 5.611 297 HA ASN 108 HA ASN 108 27.582 4.585 6.747 298 H SER 109 H SER 109 27.228 2.554 6.230 299 HA SER 109 HA SER 109 26.323 1.906 3.634 300 HG SER 109 HG SER 109 27.001 -0.477 6.649 301 H GLY 110 H GLY 110 24.818 1.750 6.776 302 H VAL 111 H VAL 111 20.780 0.029 5.340 303 HA VAL 111 HA VAL 111 19.928 2.618 4.242 304 HB VAL 111 HB VAL 111 19.690 0.053 2.721 305 H LEU 112 H LEU 112 17.966 3.101 4.985 306 HA LEU 112 HA LEU 112 16.287 1.071 6.144 307 HG LEU 112 HG LEU 112 14.096 3.802 7.492 308 H CYS 113 H CYS 113 14.512 0.143 5.317 309 HA CYS 113 HA CYS 113 13.737 0.911 2.590 310 H SER 114 H SER 114 12.107 2.351 2.748 311 HA SER 114 HA SER 114 9.676 1.506 4.098 312 HG SER 114 HG SER 114 9.227 2.601 6.412 313 H GLY 115 H GLY 115 7.905 2.013 2.985 314 H GLY 116 H GLY 116 8.468 1.028 0.886 315 H GLU 117 H GLU 117 10.258 2.551 -0.202 316 HA GLU 117 HA GLU 117 12.250 2.223 -2.342 317 H TRP 118 H TRP 118 14.362 3.412 -1.555 318 HA TRP 118 HA TRP 118 14.908 2.470 1.178 319 HD1 TRP 118 HD1 TRP 118 15.151 0.510 -2.410 320 HE1 TRP 118 HE1 TRP 118 14.888 -1.992 -1.857 321 HE3 TRP 118 HE3 TRP 118 17.163 0.503 2.282 322 HZ2 TRP 118 HZ2 TRP 118 15.467 -3.728 0.288 323 HZ3 TRP 118 HZ3 TRP 118 17.276 -1.619 3.518 324 HH2 TRP 118 HH2 TRP 118 16.443 -3.687 2.539 325 H SER 119 H SER 119 15.836 3.856 2.562 326 HA SER 119 HA SER 119 16.654 6.478 1.508 327 HG SER 119 HG SER 119 13.926 6.262 4.145 328 H ASP 120 H ASP 120 18.427 7.542 2.673 329 HA ASP 120 HA ASP 120 20.547 7.632 3.490 330 HA PRO 121 HA PRO 121 21.839 4.109 0.434 331 HA PRO 122 HA PRO 122 25.618 6.444 0.923 332 H THR 123 H THR 123 27.963 5.983 0.191 333 HA THR 123 HA THR 123 28.105 5.231 -2.637 334 HB THR 123 HB THR 123 29.551 7.654 -1.596 335 HG1 THR 123 HG1 THR 123 26.963 7.627 -2.760 336 H CYS 124 H CYS 124 30.618 5.304 -3.219 337 HA CYS 124 HA CYS 124 32.123 4.459 -0.866 338 H GLN 125 H GLN 125 33.539 6.017 -0.707 339 HA GLN 125 HA GLN 125 34.976 6.865 -3.107 340 H ILE 126 H ILE 126 37.209 7.158 -2.996 341 HA ILE 126 HA ILE 126 38.550 5.042 -1.657 342 HB ILE 126 HB ILE 126 39.680 7.399 -3.160 No H/Q in entry = 342 Start of MODEL 7 1 H ARG 7 H ARG 7 -35.232 0.998 3.047 2 HA ARG 7 HA ARG 7 -33.818 1.348 5.447 3 HE ARG 7 HE ARG 7 -37.555 -2.281 4.532 4 1HH1 ARG 7 1HH1 ARG 7 -36.173 -4.044 7.197 5 1HH2 ARG 7 1HH2 ARG 7 -39.308 -3.734 4.686 6 H ARG 8 H ARG 8 -31.649 0.466 5.933 7 HA ARG 8 HA ARG 8 -29.729 1.559 4.085 8 HE ARG 8 HE ARG 8 -28.962 0.854 9.122 9 1HH1 ARG 8 1HH1 ARG 8 -27.567 4.023 9.494 10 1HH2 ARG 8 1HH2 ARG 8 -28.161 0.429 11.215 11 H CYS 9 H CYS 9 -27.849 0.410 3.336 12 HA CYS 9 HA CYS 9 -28.485 -2.102 2.169 13 HA PRO 10 HA PRO 10 -26.963 -4.972 5.133 14 H SER 11 H SER 11 -24.998 -6.073 5.989 15 HA SER 11 HA SER 11 -22.952 -4.321 6.518 16 HG SER 11 HG SER 11 -23.242 -5.216 8.457 17 HA PRO 12 HA PRO 12 -21.088 -4.071 2.384 18 H ARG 13 H ARG 13 -19.118 -4.835 1.432 19 HA ARG 13 HA ARG 13 -18.191 -7.279 2.536 20 HE ARG 13 HE ARG 13 -17.146 -10.328 -0.742 21 1HH1 ARG 13 1HH1 ARG 13 -14.348 -9.771 1.256 22 1HH2 ARG 13 1HH2 ARG 13 -16.009 -12.130 -1.556 23 H ASP 14 H ASP 14 -15.852 -7.743 2.866 24 HA ASP 14 HA ASP 14 -14.675 -5.559 4.403 25 H ILE 15 H ILE 15 -12.249 -6.253 4.918 26 HA ILE 15 HA ILE 15 -10.875 -7.168 2.514 27 HB ILE 15 HB ILE 15 -11.047 -4.748 2.195 28 H ASP 16 H ASP 16 -8.799 -7.971 2.913 29 HA ASP 16 HA ASP 16 -8.357 -8.738 5.667 30 H ASN 17 H ASN 17 -6.237 -7.372 3.136 31 HA ASN 17 HA ASN 17 -4.495 -6.326 5.231 32 H GLY 18 H GLY 18 -7.074 -5.128 4.870 33 H GLN 19 H GLN 19 -8.239 -0.889 4.721 34 HA GLN 19 HA GLN 19 -9.910 -1.902 6.905 35 H LEU 20 H LEU 20 -11.986 -1.357 6.642 36 HA LEU 20 HA LEU 20 -12.768 0.263 4.423 37 HG LEU 20 HG LEU 20 -14.599 -1.259 3.534 38 H ASP 21 H ASP 21 -14.096 2.119 4.483 39 HA ASP 21 HA ASP 21 -14.024 3.651 6.994 40 H ILE 22 H ILE 22 -16.181 2.764 7.221 41 HA ILE 22 HA ILE 22 -18.221 3.208 5.333 42 HB ILE 22 HB ILE 22 -18.529 2.770 8.287 43 H GLY 23 H GLY 23 -18.562 5.253 4.686 44 H GLY 24 H GLY 24 -20.894 5.110 5.774 45 H VAL 25 H VAL 25 -24.755 4.415 5.789 46 HA VAL 25 HA VAL 25 -24.053 2.337 3.823 47 HB VAL 25 HB VAL 25 -25.228 0.735 5.399 48 H ASP 26 H ASP 26 -25.934 4.705 3.732 49 HA ASP 26 HA ASP 26 -28.455 3.257 3.283 50 H PHE 27 H PHE 27 -29.587 3.533 1.319 51 HA PHE 27 HA PHE 27 -28.134 3.412 -1.003 52 HD1 PHE 27 HD1 PHE 27 -29.746 5.294 -3.311 53 HD2 PHE 27 HD2 PHE 27 -30.676 1.305 -2.162 54 HE1 PHE 27 HE1 PHE 27 -29.705 4.609 -5.674 55 HE2 PHE 27 HE2 PHE 27 -30.636 0.613 -4.521 56 HZ PHE 27 HZ PHE 27 -30.151 2.263 -6.281 57 H GLY 28 H GLY 28 -26.795 4.838 -1.859 58 H SER 29 H SER 29 -25.419 5.549 -0.470 59 HA SER 29 HA SER 29 -23.646 7.786 0.203 60 HG SER 29 HG SER 29 -24.559 7.868 2.461 61 H SER 30 H SER 30 -21.490 6.268 1.175 62 HA SER 30 HA SER 30 -20.555 4.405 -0.754 63 HG SER 30 HG SER 30 -19.931 8.138 -1.842 64 H ILE 31 H ILE 31 -18.679 3.398 -0.121 65 HA ILE 31 HA ILE 31 -17.678 4.175 2.530 66 HB ILE 31 HB ILE 31 -16.770 1.590 1.468 67 H THR 32 H THR 32 -15.285 3.550 2.871 68 HA THR 32 HA THR 32 -13.726 4.181 0.460 69 HB THR 32 HB THR 32 -12.627 5.249 2.971 70 HG1 THR 32 HG1 THR 32 -14.061 7.054 2.919 71 H TYR 33 H TYR 33 -12.459 2.534 0.047 72 HA TYR 33 HA TYR 33 -11.565 0.786 2.198 73 HD1 TYR 33 HD1 TYR 33 -14.189 0.423 -0.065 74 HD2 TYR 33 HD2 TYR 33 -11.220 -2.367 1.168 75 HE1 TYR 33 HE1 TYR 33 -15.951 -1.193 0.517 76 HE2 TYR 33 HE2 TYR 33 -12.977 -3.991 1.749 77 HH TYR 33 HH TYR 33 -15.208 -4.486 1.413 78 H SER 34 H SER 34 -9.516 0.537 2.865 79 HA SER 34 HA SER 34 -7.338 1.816 1.395 80 HG SER 34 HG SER 34 -8.523 4.338 3.047 81 H CYS 35 H CYS 35 -5.174 1.204 2.378 82 HA CYS 35 HA CYS 35 -5.211 -1.633 2.928 83 H ASN 36 H ASN 36 -3.603 -2.451 4.633 84 HA ASN 36 HA ASN 36 -4.475 -1.510 7.172 85 H SER 37 H SER 37 -1.064 -2.087 6.469 86 HA SER 37 HA SER 37 -0.342 0.672 6.893 87 HG SER 37 HG SER 37 -1.161 0.003 9.982 88 H GLY 38 H GLY 38 1.495 1.141 5.840 89 H TYR 39 H TYR 39 0.757 -0.171 3.771 90 HA TYR 39 HA TYR 39 1.711 -2.057 1.717 91 HD1 TYR 39 HD1 TYR 39 1.800 -3.131 3.918 92 HD2 TYR 39 HD2 TYR 39 -1.634 -4.584 1.869 93 HE1 TYR 39 HE1 TYR 39 2.361 -5.422 4.615 94 HE2 TYR 39 HE2 TYR 39 -1.083 -6.878 2.560 95 HH TYR 39 HH TYR 39 1.519 -7.991 3.339 96 H HIS 40 H HIS 40 -0.149 -1.914 -0.170 97 HA HIS 40 HA HIS 40 -0.707 0.865 -0.799 98 HD1 HIS 40 HD1 HIS 40 1.036 -0.118 -5.018 99 HD2 HIS 40 HD2 HIS 40 0.918 -2.870 -1.908 100 HE1 HIS 40 HE1 HIS 40 1.392 -2.364 -6.093 101 HE2 HIS 40 HE2 HIS 40 1.315 -4.015 -4.191 102 H LEU 41 H LEU 41 -2.782 0.858 -1.227 103 HA LEU 41 HA LEU 41 -4.166 -1.496 -2.107 104 HG LEU 41 HG LEU 41 -6.671 -1.085 -2.395 105 H ILE 42 H ILE 42 -4.532 -2.087 -4.137 106 HA ILE 42 HA ILE 42 -3.981 -0.147 -6.265 107 HB ILE 42 HB ILE 42 -4.458 -3.022 -6.884 108 H GLY 43 H GLY 43 -5.376 0.065 -8.054 109 H GLU 44 H GLU 44 -9.895 -0.194 -7.344 110 HA GLU 44 HA GLU 44 -10.018 2.663 -6.862 111 H SER 45 H SER 45 -11.535 3.078 -4.779 112 HA SER 45 HA SER 45 -10.702 1.554 -2.471 113 HG SER 45 HG SER 45 -9.081 5.251 -2.917 114 H LYS 46 H LYS 46 -13.196 2.487 -3.907 115 HA LYS 46 HA LYS 46 -14.569 3.359 -1.495 116 H SER 47 H SER 47 -16.453 2.408 -1.235 117 HA SER 47 HA SER 47 -17.618 0.896 -3.466 118 HG SER 47 HG SER 47 -16.179 0.416 -0.673 119 H TYR 48 H TYR 48 -19.911 0.989 -3.869 120 HA TYR 48 HA TYR 48 -21.153 3.404 -2.692 121 HD1 TYR 48 HD1 TYR 48 -19.345 4.806 -3.769 122 HD2 TYR 48 HD2 TYR 48 -20.329 2.497 -7.197 123 HE1 TYR 48 HE1 TYR 48 -17.130 5.305 -4.731 124 HE2 TYR 48 HE2 TYR 48 -18.125 2.977 -8.172 125 HH TYR 48 HH TYR 48 -15.694 3.674 -6.977 126 H CYS 49 H CYS 49 -22.902 3.052 -1.650 127 HA CYS 49 HA CYS 49 -24.209 0.528 -1.632 128 H GLU 50 H GLU 50 -25.571 -0.198 -3.101 129 HA GLU 50 HA GLU 50 -27.729 1.476 -4.058 130 H LEU 51 H LEU 51 -28.927 0.020 -5.883 131 HA LEU 51 HA LEU 51 -29.483 -2.487 -4.490 132 HG LEU 51 HG LEU 51 -30.267 -0.290 -7.252 133 H GLY 52 H GLY 52 -30.049 -4.398 -5.866 134 H SER 53 H SER 53 -29.767 -7.022 -8.862 135 HA SER 53 HA SER 53 -30.733 -5.428 -11.103 136 HG SER 53 HG SER 53 -29.909 -7.748 -13.227 137 H THR 54 H THR 54 -31.939 -7.684 -8.665 138 HA THR 54 HA THR 54 -34.677 -7.271 -9.595 139 HB THR 54 HB THR 54 -35.287 -9.152 -8.346 140 HG1 THR 54 HG1 THR 54 -34.490 -9.558 -6.452 141 H GLY 55 H GLY 55 -33.550 -4.975 -8.574 142 H SER 56 H SER 56 -32.540 -5.891 -6.190 143 HA SER 56 HA SER 56 -33.078 -6.023 -3.364 144 HG SER 56 HG SER 56 -32.204 -8.588 -2.902 145 H MET 57 H MET 57 -30.657 -6.174 -2.162 146 HA MET 57 HA MET 57 -29.607 -3.444 -2.444 147 H VAL 58 H VAL 58 -27.489 -3.146 -2.771 148 HA VAL 58 HA VAL 58 -25.587 -5.282 -2.257 149 HB VAL 58 HB VAL 58 -24.639 -4.918 -4.621 150 H TRP 59 H TRP 59 -23.325 -4.476 -3.075 151 HA TRP 59 HA TRP 59 -23.097 -1.593 -2.538 152 HD1 TRP 59 HD1 TRP 59 -23.567 -4.068 0.515 153 HE1 TRP 59 HE1 TRP 59 -24.277 -2.548 2.468 154 HE3 TRP 59 HE3 TRP 59 -21.008 0.166 -0.778 155 HZ2 TRP 59 HZ2 TRP 59 -23.803 0.104 3.342 156 HZ3 TRP 59 HZ3 TRP 59 -21.196 2.146 0.669 157 HH2 TRP 59 HH2 TRP 59 -22.557 2.109 2.672 158 H ASN 60 H ASN 60 -21.973 -0.506 -4.004 159 HA ASN 60 HA ASN 60 -20.868 -1.802 -6.277 160 HA PRO 61 HA PRO 61 -16.568 -2.690 -6.132 161 H GLU 62 H GLU 62 -16.577 -3.176 -3.929 162 HA GLU 62 HA GLU 62 -15.877 -1.026 -2.084 163 H ALA 63 H ALA 63 -14.977 -4.433 -1.862 164 HA ALA 63 HA ALA 63 -12.427 -3.799 -0.798 165 HA PRO 64 HA PRO 64 -10.415 -3.763 -4.864 166 H ILE 65 H ILE 65 -7.606 -3.306 -4.843 167 HA ILE 65 HA ILE 65 -6.700 -5.830 -3.705 168 HB ILE 65 HB ILE 65 -4.981 -4.002 -5.314 169 H CYS 66 H CYS 66 -4.507 -5.868 -2.707 170 HA CYS 66 HA CYS 66 -3.382 -3.527 -1.579 171 H GLU 67 H GLU 67 -1.340 -3.913 -0.915 172 HA GLU 67 HA GLU 67 -0.508 -6.490 0.048 173 H SER 68 H SER 68 1.978 -6.495 0.299 174 HA SER 68 HA SER 68 2.681 -3.963 1.548 175 HG SER 68 HG SER 68 4.400 -6.986 0.707 176 H VAL 69 H VAL 69 3.530 -2.496 0.243 177 HA VAL 69 HA VAL 69 4.666 -2.713 -2.200 178 HB VAL 69 HB VAL 69 6.048 -0.668 -1.597 179 H LYS 70 H LYS 70 5.997 -4.485 -2.524 180 HA LYS 70 HA LYS 70 8.250 -5.035 -0.854 181 H CYS 71 H CYS 71 10.236 -4.240 -0.955 182 HA CYS 71 HA CYS 71 10.981 -2.618 -3.288 183 H GLN 72 H GLN 72 12.201 -3.630 -4.691 184 HA GLN 72 HA GLN 72 13.588 -6.032 -4.109 185 H SER 73 H SER 73 16.004 -5.633 -5.552 186 HA SER 73 HA SER 73 17.829 -5.131 -3.619 187 HG SER 73 HG SER 73 19.284 -3.307 -6.197 188 HA PRO 74 HA PRO 74 17.549 -0.826 -2.568 189 HA PRO 75 HA PRO 75 18.806 1.791 -5.864 190 H SER 76 H SER 76 20.567 2.312 -7.203 191 HA SER 76 HA SER 76 23.012 0.798 -6.599 192 HG SER 76 HG SER 76 24.089 0.645 -9.611 193 H ILE 77 H ILE 77 24.068 2.359 -5.375 194 HA ILE 77 HA ILE 77 24.330 5.065 -6.167 195 HB ILE 77 HB ILE 77 26.017 5.262 -4.432 196 H SER 78 H SER 78 26.665 6.009 -6.307 197 HA SER 78 HA SER 78 27.920 4.712 -8.603 198 HG SER 78 HG SER 78 28.710 7.725 -6.597 199 H ASN 79 H ASN 79 30.024 4.037 -8.644 200 HA ASN 79 HA ASN 79 31.965 3.182 -7.841 201 H GLY 80 H GLY 80 29.405 2.300 -6.680 202 H ARG 81 H ARG 81 28.412 -0.176 -3.222 203 HA ARG 81 HA ARG 81 26.186 -0.780 -4.938 204 HE ARG 81 HE ARG 81 28.579 -5.496 -3.886 205 1HH1 ARG 81 1HH1 ARG 81 31.031 -5.384 -6.355 206 1HH2 ARG 81 1HH2 ARG 81 29.136 -7.694 -3.654 207 H HIS 82 H HIS 82 25.067 -2.851 -3.750 208 HA HIS 82 HA HIS 82 24.878 -2.085 -0.912 209 HD1 HIS 82 HD1 HIS 82 22.558 -5.103 -2.905 210 HD2 HIS 82 HD2 HIS 82 22.297 -1.300 -4.557 211 HE1 HIS 82 HE1 HIS 82 21.788 -5.451 -5.273 212 HE2 HIS 82 HE2 HIS 82 21.635 -3.136 -6.255 213 H ASN 83 H ASN 83 23.798 -3.884 0.410 214 HA ASN 83 HA ASN 83 24.959 -6.483 -0.354 215 H GLY 84 H GLY 84 23.699 -7.824 1.919 216 H TYR 85 H TYR 85 19.955 -9.826 2.530 217 HA TYR 85 HA TYR 85 21.562 -12.143 1.704 218 HD1 TYR 85 HD1 TYR 85 22.663 -10.838 3.564 219 HD2 TYR 85 HD2 TYR 85 19.254 -11.835 5.905 220 HE1 TYR 85 HE1 TYR 85 23.479 -9.375 5.363 221 HE2 TYR 85 HE2 TYR 85 20.060 -10.375 7.712 222 HH TYR 85 HH TYR 85 22.562 -8.131 7.283 223 H GLU 86 H GLU 86 18.331 -10.792 1.824 224 HA GLU 86 HA GLU 86 17.176 -12.951 0.328 225 H ASP 87 H ASP 87 15.531 -11.986 -1.421 226 HA ASP 87 HA ASP 87 17.202 -10.583 -3.389 227 H PHE 88 H PHE 88 14.473 -10.270 -1.380 228 HA PHE 88 HA PHE 88 13.770 -7.760 -2.711 229 HD1 PHE 88 HD1 PHE 88 12.925 -10.504 -4.554 230 HD2 PHE 88 HD2 PHE 88 10.544 -7.122 -3.566 231 HE1 PHE 88 HE1 PHE 88 12.421 -10.167 -6.937 232 HE2 PHE 88 HE2 PHE 88 10.035 -6.778 -5.942 233 HZ PHE 88 HZ PHE 88 10.973 -8.301 -7.638 234 H TYR 89 H TYR 89 12.051 -6.609 -1.157 235 HA TYR 89 HA TYR 89 12.535 -7.135 1.644 236 HD1 TYR 89 HD1 TYR 89 15.034 -5.673 -1.164 237 HD2 TYR 89 HD2 TYR 89 15.238 -6.367 3.030 238 HE1 TYR 89 HE1 TYR 89 17.273 -6.643 -1.438 239 HE2 TYR 89 HE2 TYR 89 17.480 -7.342 2.764 240 HH TYR 89 HH TYR 89 18.887 -8.307 1.130 241 H THR 90 H THR 90 11.339 -5.549 3.046 242 HA THR 90 HA THR 90 9.189 -4.119 1.701 243 HB THR 90 HB THR 90 7.510 -5.281 3.232 244 HG1 THR 90 HG1 THR 90 9.325 -6.298 4.450 245 H ASP 91 H ASP 91 7.586 -3.400 3.668 246 HA ASP 91 HA ASP 91 8.896 -1.388 5.011 247 H GLY 92 H GLY 92 10.674 -1.937 6.093 248 H SER 93 H SER 93 12.308 -2.922 5.745 249 HA SER 93 HA SER 93 14.212 -4.948 6.721 250 HG SER 93 HG SER 93 11.962 -5.394 5.175 251 H VAL 94 H VAL 94 16.434 -4.628 6.440 252 HA VAL 94 HA VAL 94 17.228 -1.911 5.645 253 HB VAL 94 HB VAL 94 18.272 -3.444 8.028 254 H VAL 95 H VAL 95 19.463 -1.700 4.989 255 HA VAL 95 HA VAL 95 20.928 -4.121 4.339 256 HB VAL 95 HB VAL 95 20.210 -2.220 2.115 257 H THR 96 H THR 96 23.117 -3.747 3.920 258 HA THR 96 HA THR 96 24.014 -1.022 4.561 259 HB THR 96 HB THR 96 26.222 -2.697 4.786 260 HG1 THR 96 HG1 THR 96 25.573 -4.504 5.777 261 H TYR 97 H TYR 97 25.164 0.109 3.143 262 HA TYR 97 HA TYR 97 25.648 -1.053 0.536 263 HD1 TYR 97 HD1 TYR 97 23.201 0.057 1.410 264 HD2 TYR 97 HD2 TYR 97 25.269 2.142 -1.668 265 HE1 TYR 97 HE1 TYR 97 21.146 0.106 0.073 266 HE2 TYR 97 HE2 TYR 97 23.213 2.202 -3.013 267 HH TYR 97 HH TYR 97 21.053 0.705 -3.125 268 H SER 98 H SER 98 27.665 -0.704 -0.617 269 HA SER 98 HA SER 98 30.041 -0.229 0.979 270 HG SER 98 HG SER 98 29.983 -2.301 2.381 271 H CYS 99 H CYS 99 31.727 0.516 -0.212 272 HA CYS 99 HA CYS 99 31.200 1.336 -2.886 273 H ASN 100 H ASN 100 32.499 0.872 -4.767 274 HA ASN 100 HA ASN 100 33.205 -1.946 -4.898 275 H SER 101 H SER 101 34.683 0.912 -6.443 276 HA SER 101 HA SER 101 37.192 -0.198 -6.820 277 HG SER 101 HG SER 101 38.194 2.606 -8.285 278 H GLY 102 H GLY 102 35.743 1.009 -3.931 279 H TYR 103 H TYR 103 35.369 2.554 -2.816 280 HA TYR 103 HA TYR 103 36.584 4.812 -1.556 281 HD1 TYR 103 HD1 TYR 103 35.555 7.482 -2.460 282 HD2 TYR 103 HD2 TYR 103 34.937 4.114 -4.987 283 HE1 TYR 103 HE1 TYR 103 36.469 8.747 -4.360 284 HE2 TYR 103 HE2 TYR 103 35.849 5.370 -6.893 285 HH TYR 103 HH TYR 103 36.616 8.782 -6.650 286 H SER 104 H SER 104 34.775 5.991 -0.038 287 HA SER 104 HA SER 104 34.091 4.087 2.100 288 HG SER 104 HG SER 104 36.987 5.986 3.091 289 H LEU 105 H LEU 105 31.928 3.941 1.677 290 HA LEU 105 HA LEU 105 30.378 5.864 0.594 291 HG LEU 105 HG LEU 105 29.883 3.967 3.592 292 H ILE 106 H ILE 106 28.779 7.137 1.263 293 HA ILE 106 HA ILE 106 29.319 8.442 3.844 294 HB ILE 106 HB ILE 106 28.509 9.591 1.174 295 H GLY 107 H GLY 107 27.561 9.338 4.979 296 H ASN 108 H ASN 108 26.932 7.276 6.039 297 HA ASN 108 HA ASN 108 26.952 5.151 6.773 298 H SER 109 H SER 109 26.602 3.056 6.305 299 HA SER 109 HA SER 109 25.700 2.484 3.681 300 HG SER 109 HG SER 109 28.469 0.784 5.427 301 H GLY 110 H GLY 110 24.210 2.347 6.774 302 H VAL 111 H VAL 111 20.490 0.295 5.133 303 HA VAL 111 HA VAL 111 19.255 2.805 4.224 304 HB VAL 111 HB VAL 111 19.223 0.397 2.469 305 H LEU 112 H LEU 112 17.161 2.921 4.766 306 HA LEU 112 HA LEU 112 15.897 0.572 5.896 307 HG LEU 112 HG LEU 112 13.293 2.805 7.405 308 H CYS 113 H CYS 113 14.269 -0.590 5.049 309 HA CYS 113 HA CYS 113 13.340 0.164 2.363 310 H SER 114 H SER 114 11.472 1.269 2.626 311 HA SER 114 HA SER 114 9.178 -0.085 3.640 312 HG SER 114 HG SER 114 10.417 0.094 6.365 313 H GLY 115 H GLY 115 7.544 0.471 2.386 314 H GLY 116 H GLY 116 7.974 0.089 0.264 315 H GLU 117 H GLU 117 9.899 1.716 -0.445 316 HA GLU 117 HA GLU 117 11.787 2.069 -2.632 317 H TRP 118 H TRP 118 13.780 3.295 -1.766 318 HA TRP 118 HA TRP 118 14.376 2.246 0.917 319 HD1 TRP 118 HD1 TRP 118 14.968 0.746 -2.835 320 HE1 TRP 118 HE1 TRP 118 14.991 -1.807 -2.534 321 HE3 TRP 118 HE3 TRP 118 16.820 0.498 1.920 322 HZ2 TRP 118 HZ2 TRP 118 15.703 -3.669 -0.558 323 HZ3 TRP 118 HZ3 TRP 118 17.153 -1.714 2.943 324 HH2 TRP 118 HH2 TRP 118 16.595 -3.760 1.727 325 H SER 119 H SER 119 15.316 3.541 2.435 326 HA SER 119 HA SER 119 15.559 6.386 1.723 327 HG SER 119 HG SER 119 12.821 5.425 4.106 328 H ASP 120 H ASP 120 16.992 7.637 3.145 329 HA ASP 120 HA ASP 120 19.135 8.100 3.731 330 HA PRO 121 HA PRO 121 21.155 4.586 1.331 331 HA PRO 122 HA PRO 122 24.643 7.326 1.521 332 H THR 123 H THR 123 26.934 7.425 0.583 333 HA THR 123 HA THR 123 26.830 7.180 -2.355 334 HB THR 123 HB THR 123 28.670 9.185 -1.245 335 HG1 THR 123 HG1 THR 123 25.885 9.672 -1.058 336 H CYS 124 H CYS 124 29.604 8.012 -2.596 337 HA CYS 124 HA CYS 124 31.123 6.176 -0.995 338 H GLN 125 H GLN 125 32.208 7.993 -0.320 339 HA GLN 125 HA GLN 125 33.954 9.240 -2.330 340 H ILE 126 H ILE 126 36.021 9.997 -1.488 341 HA ILE 126 HA ILE 126 37.171 8.033 0.301 342 HB ILE 126 HB ILE 126 38.516 10.310 -1.155 No H/Q in entry = 342 Start of MODEL 8 1 H ARG 7 H ARG 7 -33.120 -4.466 0.352 2 HA ARG 7 HA ARG 7 -32.849 -2.656 -1.699 3 HE ARG 7 HE ARG 7 -36.257 -0.020 1.828 4 2HH1 ARG 7 2HH1 ARG 7 -38.475 -3.287 1.166 5 1HH2 ARG 7 1HH2 ARG 7 -38.012 -0.488 3.210 6 H ARG 8 H ARG 8 -30.982 -2.404 -2.765 7 HA ARG 8 HA ARG 8 -28.413 -2.521 -1.656 8 HE ARG 8 HE ARG 8 -28.813 -1.526 -6.401 9 1HH1 ARG 8 1HH1 ARG 8 -27.572 -4.545 -7.614 10 1HH2 ARG 8 1HH2 ARG 8 -28.653 -0.779 -8.549 11 H CYS 9 H CYS 9 -26.878 -0.927 -1.253 12 HA CYS 9 HA CYS 9 -27.829 1.402 0.087 13 HA PRO 10 HA PRO 10 -27.375 4.295 -3.272 14 H SER 11 H SER 11 -25.705 6.156 -4.114 15 HA SER 11 HA SER 11 -23.538 4.792 -5.217 16 HG SER 11 HG SER 11 -21.766 6.639 -5.741 17 HA PRO 12 HA PRO 12 -21.160 4.561 -1.371 18 H ARG 13 H ARG 13 -19.113 5.447 -0.640 19 HA ARG 13 HA ARG 13 -18.687 8.086 -1.569 20 HE ARG 13 HE ARG 13 -18.791 10.783 1.028 21 1HH1 ARG 13 1HH1 ARG 13 -19.094 9.088 4.056 22 1HH2 ARG 13 1HH2 ARG 13 -19.906 12.487 2.054 23 H ASP 14 H ASP 14 -16.133 8.627 -1.812 24 HA ASP 14 HA ASP 14 -14.975 6.805 -3.773 25 H ILE 15 H ILE 15 -12.868 8.101 -4.651 26 HA ILE 15 HA ILE 15 -11.478 9.364 -2.417 27 HB ILE 15 HB ILE 15 -11.038 6.970 -2.133 28 H ASP 16 H ASP 16 -9.439 10.358 -3.064 29 HA ASP 16 HA ASP 16 -9.605 11.313 -5.813 30 H ASN 17 H ASN 17 -7.045 10.161 -3.609 31 HA ASN 17 HA ASN 17 -5.316 9.656 -5.895 32 H GLY 18 H GLY 18 -7.495 8.033 -5.969 33 H GLN 19 H GLN 19 -8.191 3.701 -6.139 34 HA GLN 19 HA GLN 19 -10.569 4.793 -7.456 35 H LEU 20 H LEU 20 -12.425 3.711 -6.999 36 HA LEU 20 HA LEU 20 -12.310 1.727 -4.917 37 HG LEU 20 HG LEU 20 -13.926 2.856 -3.338 38 H ASP 21 H ASP 21 -13.373 -0.312 -4.989 39 HA ASP 21 HA ASP 21 -13.678 -1.444 -7.691 40 H ILE 22 H ILE 22 -15.931 -1.012 -7.493 41 HA ILE 22 HA ILE 22 -17.504 -1.929 -5.348 42 HB ILE 22 HB ILE 22 -18.360 -1.333 -8.166 43 H GLY 23 H GLY 23 -17.656 -4.001 -4.796 44 H GLY 24 H GLY 24 -20.014 -4.213 -5.385 45 H VAL 25 H VAL 25 -23.801 -4.112 -4.849 46 HA VAL 25 HA VAL 25 -23.181 -2.271 -2.635 47 HB VAL 25 HB VAL 25 -24.635 -0.618 -3.725 48 H ASP 26 H ASP 26 -24.652 -4.930 -2.727 49 HA ASP 26 HA ASP 26 -27.345 -4.130 -1.961 50 H PHE 27 H PHE 27 -28.260 -4.639 0.073 51 HA PHE 27 HA PHE 27 -26.764 -3.955 2.292 52 HD1 PHE 27 HD1 PHE 27 -26.981 -3.845 4.404 53 HD2 PHE 27 HD2 PHE 27 -30.497 -6.213 4.019 54 HE1 PHE 27 HE1 PHE 27 -27.012 -4.188 6.841 55 HE2 PHE 27 HE2 PHE 27 -30.534 -6.560 6.455 56 HZ PHE 27 HZ PHE 27 -28.789 -5.550 7.868 57 H GLY 28 H GLY 28 -24.871 -5.037 2.590 58 H SER 29 H SER 29 -23.499 -5.537 1.315 59 HA SER 29 HA SER 29 -21.557 -7.548 0.422 60 HG SER 29 HG SER 29 -23.404 -7.389 -1.720 61 H SER 30 H SER 30 -19.762 -5.771 -0.831 62 HA SER 30 HA SER 30 -18.850 -3.792 0.986 63 HG SER 30 HG SER 30 -16.817 -7.213 0.933 64 H ILE 31 H ILE 31 -17.197 -2.536 0.170 65 HA ILE 31 HA ILE 31 -16.545 -3.060 -2.647 66 HB ILE 31 HB ILE 31 -15.901 -0.410 -1.499 67 H THR 32 H THR 32 -14.350 -2.002 -3.282 68 HA THR 32 HA THR 32 -12.354 -2.480 -1.185 69 HB THR 32 HB THR 32 -11.673 -3.372 -3.937 70 HG1 THR 32 HG1 THR 32 -12.689 -5.344 -3.629 71 H TYR 33 H TYR 33 -11.248 -0.680 -0.926 72 HA TYR 33 HA TYR 33 -11.032 1.248 -3.089 73 HD1 TYR 33 HD1 TYR 33 -13.076 1.070 -0.376 74 HD2 TYR 33 HD2 TYR 33 -10.845 4.446 -1.691 75 HE1 TYR 33 HE1 TYR 33 -15.118 2.437 -0.308 76 HE2 TYR 33 HE2 TYR 33 -12.881 5.824 -1.627 77 HH TYR 33 HH TYR 33 -15.032 5.912 -0.927 78 H SER 34 H SER 34 -9.068 2.062 -3.902 79 HA SER 34 HA SER 34 -6.585 0.765 -3.141 80 HG SER 34 HG SER 34 -7.161 1.471 -6.589 81 H CYS 35 H CYS 35 -4.705 1.839 -3.996 82 HA CYS 35 HA CYS 35 -5.135 4.663 -4.329 83 H ASN 36 H ASN 36 -3.870 5.857 -6.056 84 HA ASN 36 HA ASN 36 -4.843 5.027 -8.587 85 H SER 37 H SER 37 -1.476 6.025 -8.165 86 HA SER 37 HA SER 37 -0.480 3.453 -9.033 87 HG SER 37 HG SER 37 -1.591 3.780 -11.592 88 H GLY 38 H GLY 38 1.484 3.078 -8.210 89 H TYR 39 H TYR 39 0.839 3.914 -5.927 90 HA TYR 39 HA TYR 39 1.796 5.512 -3.646 91 HD1 TYR 39 HD1 TYR 39 1.711 7.037 -5.379 92 HD2 TYR 39 HD2 TYR 39 -1.818 7.646 -3.086 93 HE1 TYR 39 HE1 TYR 39 2.048 9.452 -5.526 94 HE2 TYR 39 HE2 TYR 39 -1.491 10.076 -3.222 95 HH TYR 39 HH TYR 39 0.678 11.625 -3.588 96 H HIS 40 H HIS 40 0.293 4.877 -1.646 97 HA HIS 40 HA HIS 40 -0.100 2.003 -1.499 98 HD1 HIS 40 HD1 HIS 40 2.192 2.448 2.573 99 HD2 HIS 40 HD2 HIS 40 1.676 5.545 -0.146 100 HE1 HIS 40 HE1 HIS 40 2.722 4.553 3.844 101 HE2 HIS 40 HE2 HIS 40 2.403 6.417 2.179 102 H LEU 41 H LEU 41 -2.061 1.772 -0.739 103 HA LEU 41 HA LEU 41 -3.438 3.861 0.638 104 HG LEU 41 HG LEU 41 -5.736 3.098 1.432 105 H ILE 42 H ILE 42 -3.559 4.187 2.764 106 HA ILE 42 HA ILE 42 -2.478 2.098 4.516 107 HB ILE 42 HB ILE 42 -3.051 4.798 5.612 108 H GLY 43 H GLY 43 -3.497 1.676 6.544 109 H GLU 44 H GLU 44 -8.112 1.492 6.927 110 HA GLU 44 HA GLU 44 -8.356 -1.159 5.966 111 H SER 45 H SER 45 -10.031 -1.336 3.970 112 HA SER 45 HA SER 45 -9.447 0.392 1.762 113 HG SER 45 HG SER 45 -7.912 -1.495 -0.465 114 H LYS 46 H LYS 46 -11.726 -0.893 3.240 115 HA LYS 46 HA LYS 46 -13.183 -1.722 0.865 116 H SER 47 H SER 47 -15.177 -0.942 0.885 117 HA SER 47 HA SER 47 -16.282 0.200 3.346 118 HG SER 47 HG SER 47 -18.682 1.710 1.992 119 H TYR 48 H TYR 48 -18.234 -0.579 4.278 120 HA TYR 48 HA TYR 48 -19.174 -3.071 2.974 121 HD1 TYR 48 HD1 TYR 48 -16.952 -4.035 3.624 122 HD2 TYR 48 HD2 TYR 48 -17.895 -2.403 7.432 123 HE1 TYR 48 HE1 TYR 48 -14.572 -4.108 4.234 124 HE2 TYR 48 HE2 TYR 48 -15.518 -2.461 8.058 125 HH TYR 48 HH TYR 48 -13.133 -2.523 6.227 126 H CYS 49 H CYS 49 -21.093 -3.074 2.216 127 HA CYS 49 HA CYS 49 -22.947 -0.955 2.668 128 H GLU 50 H GLU 50 -23.745 -0.828 4.684 129 HA GLU 50 HA GLU 50 -25.151 -3.206 5.713 130 H LEU 51 H LEU 51 -26.573 -2.204 7.734 131 HA LEU 51 HA LEU 51 -28.415 -0.377 6.370 132 HG LEU 51 HG LEU 51 -28.282 -1.569 9.763 133 H GLY 52 H GLY 52 -29.325 1.412 7.457 134 H SER 53 H SER 53 -29.612 4.180 10.639 135 HA SER 53 HA SER 53 -29.674 2.356 12.906 136 HG SER 53 HG SER 53 -28.902 4.762 14.822 137 H THR 54 H THR 54 -31.893 4.071 10.771 138 HA THR 54 HA THR 54 -34.166 2.775 12.103 139 HB THR 54 HB THR 54 -35.563 4.358 10.802 140 HG1 THR 54 HG1 THR 54 -34.029 4.616 9.069 141 H GLY 55 H GLY 55 -32.614 1.045 10.663 142 H SER 56 H SER 56 -32.089 2.277 8.358 143 HA SER 56 HA SER 56 -32.892 2.478 5.591 144 HG SER 56 HG SER 56 -33.393 4.821 5.851 145 H MET 57 H MET 57 -30.495 3.462 4.482 146 HA MET 57 HA MET 57 -28.812 1.048 4.450 147 H VAL 58 H VAL 58 -26.625 1.337 4.424 148 HA VAL 58 HA VAL 58 -25.503 3.989 4.104 149 HB VAL 58 HB VAL 58 -24.220 3.655 6.321 150 H TRP 59 H TRP 59 -23.038 3.857 4.541 151 HA TRP 59 HA TRP 59 -22.042 1.253 3.596 152 HD1 TRP 59 HD1 TRP 59 -23.512 4.004 0.945 153 HE1 TRP 59 HE1 TRP 59 -24.076 2.617 -1.143 154 HE3 TRP 59 HE3 TRP 59 -20.043 0.282 1.485 155 HZ2 TRP 59 HZ2 TRP 59 -23.173 0.227 -2.390 156 HZ3 TRP 59 HZ3 TRP 59 -19.965 -1.516 -0.191 157 HH2 TRP 59 HH2 TRP 59 -21.491 -1.539 -2.078 158 H ASN 60 H ASN 60 -20.568 0.386 4.871 159 HA ASN 60 HA ASN 60 -19.475 1.746 7.124 160 HA PRO 61 HA PRO 61 -15.497 3.530 6.443 161 H GLU 62 H GLU 62 -15.812 4.088 4.298 162 HA GLU 62 HA GLU 62 -15.153 2.144 2.237 163 H ALA 63 H ALA 63 -14.415 5.610 2.292 164 HA ALA 63 HA ALA 63 -11.986 5.173 0.858 165 HA PRO 64 HA PRO 64 -9.537 5.038 4.672 166 H ILE 65 H ILE 65 -6.717 4.935 4.326 167 HA ILE 65 HA ILE 65 -6.228 7.648 3.409 168 HB ILE 65 HB ILE 65 -4.039 5.918 4.418 169 H CYS 66 H CYS 66 -4.124 8.012 2.205 170 HA CYS 66 HA CYS 66 -3.048 5.965 0.579 171 H GLU 67 H GLU 67 -1.110 6.576 -0.167 172 HA GLU 67 HA GLU 67 -0.507 9.341 -0.719 173 H SER 68 H SER 68 2.082 9.399 -1.039 174 HA SER 68 HA SER 68 2.542 7.590 -3.185 175 HG SER 68 HG SER 68 5.646 8.615 -2.078 176 H VAL 69 H VAL 69 4.124 6.105 -3.441 177 HA VAL 69 HA VAL 69 4.527 4.373 -1.296 178 HB VAL 69 HB VAL 69 5.177 4.564 -4.147 179 H LYS 70 H LYS 70 5.646 5.157 0.417 180 HA LYS 70 HA LYS 70 8.226 6.420 -0.107 181 H CYS 71 H CYS 71 10.004 5.281 0.133 182 HA CYS 71 HA CYS 71 10.024 3.022 2.025 183 H GLN 72 H GLN 72 11.104 3.422 3.847 184 HA GLN 72 HA GLN 72 12.677 5.758 4.155 185 H SER 73 H SER 73 14.810 4.701 5.783 186 HA SER 73 HA SER 73 16.846 4.561 3.939 187 HG SER 73 HG SER 73 18.087 2.260 6.296 188 HA PRO 74 HA PRO 74 16.486 0.617 1.984 189 HA PRO 75 HA PRO 75 16.854 -2.673 4.853 190 H SER 76 H SER 76 18.312 -3.698 6.268 191 HA SER 76 HA SER 76 20.966 -2.443 6.320 192 HG SER 76 HG SER 76 19.829 -4.735 9.066 193 H ILE 77 H ILE 77 22.038 -3.843 4.919 194 HA ILE 77 HA ILE 77 21.950 -6.668 5.165 195 HB ILE 77 HB ILE 77 23.827 -6.717 3.630 196 H SER 78 H SER 78 24.192 -7.849 5.382 197 HA SER 78 HA SER 78 25.166 -7.165 8.047 198 HG SER 78 HG SER 78 23.439 -9.065 7.379 199 H ASN 79 H ASN 79 27.301 -6.803 8.542 200 HA ASN 79 HA ASN 79 29.370 -5.921 8.217 201 H GLY 80 H GLY 80 27.124 -4.632 6.823 202 H ARG 81 H ARG 81 26.877 -1.595 3.712 203 HA ARG 81 HA ARG 81 24.558 -0.886 5.216 204 HE ARG 81 HE ARG 81 29.300 3.253 6.084 205 1HH1 ARG 81 1HH1 ARG 81 25.914 2.848 6.800 206 1HH2 ARG 81 1HH2 ARG 81 28.802 5.454 5.756 207 H HIS 82 H HIS 82 23.916 1.506 4.280 208 HA HIS 82 HA HIS 82 24.058 1.170 1.362 209 HD1 HIS 82 HD1 HIS 82 21.455 0.250 4.380 210 HD2 HIS 82 HD2 HIS 82 21.387 4.333 3.607 211 HE1 HIS 82 HE1 HIS 82 20.506 1.311 6.453 212 HE2 HIS 82 HE2 HIS 82 20.473 3.783 5.963 213 H ASN 83 H ASN 83 23.662 3.219 0.116 214 HA ASN 83 HA ASN 83 25.425 5.309 1.156 215 H GLY 84 H GLY 84 22.425 4.803 1.797 216 H TYR 85 H TYR 85 20.414 8.763 0.698 217 HA TYR 85 HA TYR 85 22.289 10.398 2.264 218 HD1 TYR 85 HD1 TYR 85 20.944 9.372 -1.576 219 HD2 TYR 85 HD2 TYR 85 24.367 11.239 0.125 220 HE1 TYR 85 HE1 TYR 85 22.383 8.157 -3.156 221 HE2 TYR 85 HE2 TYR 85 25.817 10.029 -1.451 222 HH TYR 85 HH TYR 85 24.782 8.609 -4.181 223 H GLU 86 H GLU 86 18.933 10.009 1.358 224 HA GLU 86 HA GLU 86 18.151 12.150 3.172 225 H ASP 87 H ASP 87 15.789 11.475 4.126 226 HA ASP 87 HA ASP 87 16.392 9.218 5.883 227 H PHE 88 H PHE 88 14.267 10.193 3.353 228 HA PHE 88 HA PHE 88 12.939 7.584 3.501 229 HD1 PHE 88 HD1 PHE 88 11.906 9.796 5.983 230 HD2 PHE 88 HD2 PHE 88 9.637 7.328 3.367 231 HE1 PHE 88 HE1 PHE 88 10.738 8.829 7.917 232 HE2 PHE 88 HE2 PHE 88 8.464 6.357 5.290 233 HZ PHE 88 HZ PHE 88 9.009 7.104 7.575 234 H TYR 89 H TYR 89 11.718 7.150 1.391 235 HA TYR 89 HA TYR 89 12.976 8.417 -0.920 236 HD1 TYR 89 HD1 TYR 89 14.317 6.242 1.712 237 HD2 TYR 89 HD2 TYR 89 15.713 6.777 -2.271 238 HE1 TYR 89 HE1 TYR 89 16.603 6.518 2.559 239 HE2 TYR 89 HE2 TYR 89 18.007 7.056 -1.432 240 HH TYR 89 HH TYR 89 18.748 7.711 1.690 241 H THR 90 H THR 90 11.871 7.793 -2.976 242 HA THR 90 HA THR 90 9.054 7.126 -2.428 243 HB THR 90 HB THR 90 8.712 8.649 -4.550 244 HG1 THR 90 HG1 THR 90 10.620 9.377 -5.121 245 H ASP 91 H ASP 91 7.867 6.667 -4.584 246 HA ASP 91 HA ASP 91 8.839 4.250 -5.582 247 H GLY 92 H GLY 92 10.810 4.348 -6.452 248 H SER 93 H SER 93 12.508 5.109 -5.905 249 HA SER 93 HA SER 93 14.793 6.815 -6.572 250 HG SER 93 HG SER 93 12.702 7.663 -5.034 251 H VAL 94 H VAL 94 16.952 6.190 -5.903 252 HA VAL 94 HA VAL 94 17.356 3.338 -5.470 253 HB VAL 94 HB VAL 94 18.538 4.837 -7.808 254 H VAL 95 H VAL 95 19.174 2.832 -4.371 255 HA VAL 95 HA VAL 95 21.155 4.878 -3.822 256 HB VAL 95 HB VAL 95 19.822 5.302 -1.989 257 H THR 96 H THR 96 23.179 4.096 -3.401 258 HA THR 96 HA THR 96 23.566 1.326 -4.185 259 HB THR 96 HB THR 96 26.079 2.356 -3.773 260 HG1 THR 96 HG1 THR 96 24.553 4.465 -4.867 261 H TYR 97 H TYR 97 24.770 -0.192 -3.031 262 HA TYR 97 HA TYR 97 24.841 0.292 -0.145 263 HD1 TYR 97 HD1 TYR 97 22.393 -0.085 -1.351 264 HD2 TYR 97 HD2 TYR 97 23.662 -3.197 1.251 265 HE1 TYR 97 HE1 TYR 97 20.237 0.013 -0.205 266 HE2 TYR 97 HE2 TYR 97 21.496 -3.114 2.410 267 HH TYR 97 HH TYR 97 19.206 -2.389 1.984 268 H SER 98 H SER 98 26.595 -0.684 1.086 269 HA SER 98 HA SER 98 29.025 -1.384 -0.312 270 HG SER 98 HG SER 98 28.363 1.281 -1.047 271 H CYS 99 H CYS 99 30.678 -2.191 1.090 272 HA CYS 99 HA CYS 99 29.604 -3.389 3.479 273 H ASN 100 H ASN 100 30.756 -3.311 5.562 274 HA ASN 100 HA ASN 100 31.404 -0.566 6.219 275 H SER 101 H SER 101 32.892 -3.618 7.310 276 HA SER 101 HA SER 101 35.369 -2.397 7.897 277 HG SER 101 HG SER 101 34.541 -4.542 9.914 278 H GLY 102 H GLY 102 34.068 -3.818 5.006 279 H TYR 103 H TYR 103 33.560 -5.123 3.675 280 HA TYR 103 HA TYR 103 34.650 -7.538 2.649 281 HD1 TYR 103 HD1 TYR 103 32.818 -6.619 5.719 282 HD2 TYR 103 HD2 TYR 103 32.845 -10.080 3.243 283 HE1 TYR 103 HE1 TYR 103 33.206 -8.025 7.699 284 HE2 TYR 103 HE2 TYR 103 33.231 -11.496 5.217 285 HH TYR 103 HH TYR 103 33.045 -11.492 7.551 286 H SER 104 H SER 104 33.011 -8.543 0.832 287 HA SER 104 HA SER 104 33.293 -6.737 -1.477 288 HG SER 104 HG SER 104 35.545 -9.081 -1.587 289 H LEU 105 H LEU 105 31.333 -5.756 -1.536 290 HA LEU 105 HA LEU 105 28.902 -6.668 -0.812 291 HG LEU 105 HG LEU 105 27.105 -5.488 -1.296 292 H ILE 106 H ILE 106 27.660 -8.237 -1.333 293 HA ILE 106 HA ILE 106 28.077 -9.775 -3.735 294 HB ILE 106 HB ILE 106 26.100 -10.071 -1.480 295 H GLY 107 H GLY 107 26.393 -10.267 -5.248 296 H ASN 108 H ASN 108 23.309 -7.000 -5.746 297 HA ASN 108 HA ASN 108 25.229 -5.306 -7.205 298 H SER 109 H SER 109 25.573 -3.261 -6.465 299 HA SER 109 HA SER 109 24.935 -2.727 -3.731 300 HG SER 109 HG SER 109 26.774 0.441 -4.543 301 H GLY 110 H GLY 110 23.647 -1.744 -6.807 302 H VAL 111 H VAL 111 20.237 0.500 -4.851 303 HA VAL 111 HA VAL 111 18.518 -1.883 -5.079 304 HB VAL 111 HB VAL 111 18.394 -0.014 -2.749 305 H LEU 112 H LEU 112 16.373 -1.538 -5.575 306 HA LEU 112 HA LEU 112 15.743 1.185 -6.431 307 HG LEU 112 HG LEU 112 12.661 0.150 -6.988 308 H CYS 113 H CYS 113 14.269 2.418 -5.515 309 HA CYS 113 HA CYS 113 12.763 1.358 -3.237 310 H SER 114 H SER 114 11.041 0.358 -4.198 311 HA SER 114 HA SER 114 9.055 2.083 -5.412 312 HG SER 114 HG SER 114 7.966 -0.166 -7.390 313 H GLY 115 H GLY 115 6.953 1.199 -5.453 314 H GLY 116 H GLY 116 7.467 1.185 -2.770 315 H GLU 117 H GLU 117 8.551 -0.437 -1.756 316 HA GLU 117 HA GLU 117 10.017 -0.629 0.751 317 H TRP 118 H TRP 118 12.041 -2.108 0.290 318 HA TRP 118 HA TRP 118 13.254 -1.044 -2.155 319 HD1 TRP 118 HD1 TRP 118 13.731 -0.088 1.889 320 HE1 TRP 118 HE1 TRP 118 14.344 2.410 1.851 321 HE3 TRP 118 HE3 TRP 118 15.925 0.133 -2.720 322 HZ2 TRP 118 HZ2 TRP 118 15.628 4.233 0.093 323 HZ3 TRP 118 HZ3 TRP 118 16.810 2.291 -3.502 324 HH2 TRP 118 HH2 TRP 118 16.670 4.294 -2.115 325 H SER 119 H SER 119 14.607 -2.409 -3.466 326 HA SER 119 HA SER 119 14.211 -5.286 -3.164 327 HG SER 119 HG SER 119 13.023 -2.690 -5.286 328 H ASP 120 H ASP 120 15.662 -6.573 -4.410 329 HA ASP 120 HA ASP 120 17.677 -7.129 -5.299 330 HA PRO 121 HA PRO 121 19.851 -4.648 -1.912 331 HA PRO 122 HA PRO 122 23.090 -7.683 -2.475 332 H THR 123 H THR 123 25.254 -8.124 -1.239 333 HA THR 123 HA THR 123 24.744 -8.225 1.654 334 HB THR 123 HB THR 123 26.241 -10.495 0.506 335 HG1 THR 123 HG1 THR 123 23.429 -10.454 0.247 336 H CYS 124 H CYS 124 27.220 -9.630 2.173 337 HA CYS 124 HA CYS 124 29.315 -8.108 0.952 338 H GLN 125 H GLN 125 30.138 -10.103 0.435 339 HA GLN 125 HA GLN 125 31.151 -11.695 2.689 340 H ILE 126 H ILE 126 33.157 -12.974 2.037 341 HA ILE 126 HA ILE 126 35.057 -11.087 0.856 342 HB ILE 126 HB ILE 126 35.563 -13.525 2.563 No H/Q in entry = 342 Start of MODEL 9 1 H ARG 7 H ARG 7 30.854 -7.669 -0.914 2 HA ARG 7 HA ARG 7 32.716 -5.429 -1.360 3 HE ARG 7 HE ARG 7 34.696 -7.857 -0.942 4 1HH1 ARG 7 1HH1 ARG 7 36.426 -5.405 -2.706 5 1HH2 ARG 7 1HH2 ARG 7 36.081 -7.356 0.801 6 H ARG 8 H ARG 8 31.436 -4.155 -3.431 7 HA ARG 8 HA ARG 8 29.989 -2.390 -3.643 8 HE ARG 8 HE ARG 8 29.334 -4.400 -7.745 9 1HH1 ARG 8 1HH1 ARG 8 28.698 -7.243 -5.837 10 1HH2 ARG 8 1HH2 ARG 8 30.648 -5.751 -9.031 11 H CYS 9 H CYS 9 27.455 -1.936 -2.582 12 HA CYS 9 HA CYS 9 28.142 -0.893 0.012 13 HA PRO 10 HA PRO 10 26.392 -4.035 2.546 14 H SER 11 H SER 11 24.348 -4.908 3.436 15 HA SER 11 HA SER 11 22.357 -5.080 1.548 16 HG SER 11 HG SER 11 20.131 -6.454 3.460 17 HA PRO 12 HA PRO 12 20.683 -0.871 1.929 18 H ARG 13 H ARG 13 18.850 -0.020 2.953 19 HA ARG 13 HA ARG 13 17.626 -1.582 4.929 20 HE ARG 13 HE ARG 13 18.850 2.582 7.248 21 1HH1 ARG 13 1HH1 ARG 13 21.109 2.275 4.616 22 1HH2 ARG 13 1HH2 ARG 13 20.228 4.223 8.030 23 H ASP 14 H ASP 14 15.326 -2.130 5.104 24 HA ASP 14 HA ASP 14 14.318 -2.989 2.482 25 H ILE 15 H ILE 15 11.830 -3.714 2.973 26 HA ILE 15 HA ILE 15 10.391 -1.635 4.388 27 HB ILE 15 HB ILE 15 10.872 -0.631 2.173 28 H ASP 16 H ASP 16 8.388 -2.292 5.023 29 HA ASP 16 HA ASP 16 7.809 -5.096 4.712 30 H ASN 17 H ASN 17 5.901 -2.125 4.178 31 HA ASN 17 HA ASN 17 4.042 -3.643 2.536 32 H GLY 18 H GLY 18 6.482 -3.575 1.369 33 H GLN 19 H GLN 19 8.101 -2.381 -2.525 34 HA GLN 19 HA GLN 19 9.898 -4.528 -1.657 35 H LEU 20 H LEU 20 12.004 -4.209 -2.142 36 HA LEU 20 HA LEU 20 12.808 -1.626 -3.061 37 HG LEU 20 HG LEU 20 14.661 -1.186 -1.338 38 H ASP 21 H ASP 21 14.144 -1.167 -4.851 39 HA ASP 21 HA ASP 21 14.060 -3.165 -7.015 40 H ILE 22 H ILE 22 16.138 -3.678 -5.880 41 HA ILE 22 HA ILE 22 18.286 -1.785 -6.105 42 HB ILE 22 HB ILE 22 18.792 -4.677 -5.570 43 H GLY 23 H GLY 23 18.558 -1.343 -8.286 44 H GLY 24 H GLY 24 20.904 -2.385 -7.725 45 H VAL 25 H VAL 25 24.728 -3.082 -6.850 46 HA VAL 25 HA VAL 25 23.980 -1.391 -4.559 47 HB VAL 25 HB VAL 25 25.080 -3.304 -3.202 48 H ASP 26 H ASP 26 26.396 -1.797 -6.797 49 HA ASP 26 HA ASP 26 28.663 -1.526 -5.057 50 H PHE 27 H PHE 27 30.140 0.348 -5.220 51 HA PHE 27 HA PHE 27 28.973 2.655 -4.265 52 HD1 PHE 27 HD1 PHE 27 29.510 4.463 -3.459 53 HD2 PHE 27 HD2 PHE 27 33.099 4.199 -5.733 54 HE1 PHE 27 HE1 PHE 27 29.917 6.867 -3.094 55 HE2 PHE 27 HE2 PHE 27 33.513 6.598 -5.368 56 HZ PHE 27 HZ PHE 27 31.921 7.933 -4.048 57 H GLY 28 H GLY 28 27.644 4.025 -5.204 58 H SER 29 H SER 29 26.304 2.627 -6.581 59 HA SER 29 HA SER 29 24.506 2.592 -8.813 60 HG SER 29 HG SER 29 26.304 0.272 -7.663 61 H SER 30 H SER 30 22.077 2.044 -8.197 62 HA SER 30 HA SER 30 21.132 3.805 -6.076 63 HG SER 30 HG SER 30 20.226 3.346 -9.544 64 H ILE 31 H ILE 31 19.009 3.401 -5.375 65 HA ILE 31 HA ILE 31 17.840 0.878 -6.365 66 HB ILE 31 HB ILE 31 17.050 1.647 -3.649 67 H THR 32 H THR 32 15.461 0.702 -5.902 68 HA THR 32 HA THR 32 14.124 3.310 -5.844 69 HB THR 32 HB THR 32 12.876 1.368 -7.664 70 HG1 THR 32 HG1 THR 32 14.370 1.469 -9.235 71 H TYR 33 H TYR 33 12.879 3.264 -4.115 72 HA TYR 33 HA TYR 33 11.820 0.769 -3.099 73 HD1 TYR 33 HD1 TYR 33 14.356 3.132 -2.016 74 HD2 TYR 33 HD2 TYR 33 11.502 0.792 0.098 75 HE1 TYR 33 HE1 TYR 33 16.150 2.253 -0.577 76 HE2 TYR 33 HE2 TYR 33 13.281 -0.096 1.542 77 HH TYR 33 HH TYR 33 16.390 -0.054 0.867 78 H SER 34 H SER 34 9.762 0.067 -3.185 79 HA SER 34 HA SER 34 7.699 1.860 -4.228 80 HG SER 34 HG SER 34 7.422 -1.711 -5.209 81 H CYS 35 H CYS 35 5.600 1.337 -3.631 82 HA CYS 35 HA CYS 35 5.352 -0.153 -1.209 83 H ASN 36 H ASN 36 3.339 -1.685 -1.037 84 HA ASN 36 HA ASN 36 3.957 -3.936 -2.691 85 H SER 37 H SER 37 0.646 -2.904 -1.994 86 HA SER 37 HA SER 37 0.051 -2.457 -4.783 87 HG SER 37 HG SER 37 -0.571 -4.366 -6.165 88 H GLY 38 H GLY 38 -1.275 -0.771 -4.802 89 H TYR 39 H TYR 39 -0.424 -0.030 -2.450 90 HA TYR 39 HA TYR 39 -1.100 1.710 -0.225 91 HD1 TYR 39 HD1 TYR 39 -1.167 -1.310 -0.222 92 HD2 TYR 39 HD2 TYR 39 1.617 0.667 2.305 93 HE1 TYR 39 HE1 TYR 39 -1.930 -2.678 1.675 94 HE2 TYR 39 HE2 TYR 39 0.865 -0.686 4.212 95 HH TYR 39 HH TYR 39 -1.046 -1.986 4.912 96 H HIS 40 H HIS 40 0.494 3.472 0.312 97 HA HIS 40 HA HIS 40 1.497 4.777 -2.120 98 HD1 HIS 40 HD1 HIS 40 -2.152 6.990 -1.297 99 HD2 HIS 40 HD2 HIS 40 -0.417 4.595 1.616 100 HE1 HIS 40 HE1 HIS 40 -4.038 6.304 0.219 101 HE2 HIS 40 HE2 HIS 40 -2.964 4.852 1.977 102 H LEU 41 H LEU 41 3.587 5.284 -2.079 103 HA LEU 41 HA LEU 41 5.099 4.663 0.315 104 HG LEU 41 HG LEU 41 7.599 5.097 -0.072 105 H ILE 42 H ILE 42 5.514 6.174 1.764 106 HA ILE 42 HA ILE 42 5.251 8.970 1.009 107 HB ILE 42 HB ILE 42 5.885 8.186 3.811 108 H GLY 43 H GLY 43 6.786 10.567 1.579 109 H GLU 44 H GLU 44 11.373 9.932 1.398 110 HA GLU 44 HA GLU 44 11.723 10.293 -1.337 111 H SER 45 H SER 45 12.636 8.313 -2.712 112 HA SER 45 HA SER 45 11.028 5.915 -2.427 113 HG SER 45 HG SER 45 10.102 8.844 -4.803 114 H LYS 46 H LYS 46 13.935 6.891 -2.651 115 HA LYS 46 HA LYS 46 14.827 4.702 -4.312 116 H SER 47 H SER 47 17.354 4.762 -4.340 117 HA SER 47 HA SER 47 18.503 5.895 -1.927 118 HG SER 47 HG SER 47 18.304 3.625 0.193 119 H TYR 48 H TYR 48 20.441 6.667 -2.450 120 HA TYR 48 HA TYR 48 21.747 5.621 -4.856 121 HD1 TYR 48 HD1 TYR 48 20.180 6.764 -6.020 122 HD2 TYR 48 HD2 TYR 48 21.153 10.113 -3.583 123 HE1 TYR 48 HE1 TYR 48 18.122 7.889 -6.757 124 HE2 TYR 48 HE2 TYR 48 19.097 11.249 -4.313 125 HH TYR 48 HH TYR 48 17.047 9.902 -6.829 126 H CYS 49 H CYS 49 23.312 4.219 -4.549 127 HA CYS 49 HA CYS 49 24.614 3.777 -2.077 128 H GLU 50 H GLU 50 25.217 5.954 -1.633 129 HA GLU 50 HA GLU 50 27.461 7.014 -3.175 130 H LEU 51 H LEU 51 29.071 8.260 -1.705 131 HA LEU 51 HA LEU 51 30.285 6.246 0.002 132 HG LEU 51 HG LEU 51 30.658 9.825 -0.441 133 H GLY 52 H GLY 52 30.624 6.412 2.161 134 H SER 53 H SER 53 30.844 8.478 5.861 135 HA SER 53 HA SER 53 31.924 11.037 4.996 136 HG SER 53 HG SER 53 29.778 11.257 6.871 137 H THR 54 H THR 54 33.029 7.961 6.328 138 HA THR 54 HA THR 54 35.798 8.867 6.295 139 HB THR 54 HB THR 54 36.227 6.527 7.186 140 HG1 THR 54 HG1 THR 54 34.423 5.386 7.891 141 H GLY 55 H GLY 55 34.604 8.787 3.758 142 H SER 56 H SER 56 33.507 6.350 3.654 143 HA SER 56 HA SER 56 33.879 3.680 2.577 144 HG SER 56 HG SER 56 32.548 2.062 3.995 145 H MET 57 H MET 57 31.189 2.833 2.592 146 HA MET 57 HA MET 57 29.961 4.412 0.463 147 H VAL 58 H VAL 58 28.001 4.979 1.064 148 HA VAL 58 HA VAL 58 26.418 3.111 2.701 149 HB VAL 58 HB VAL 58 25.354 5.285 3.618 150 H TRP 59 H TRP 59 24.024 4.165 2.775 151 HA TRP 59 HA TRP 59 23.249 4.541 -0.043 152 HD1 TRP 59 HD1 TRP 59 23.339 0.958 2.230 153 HE1 TRP 59 HE1 TRP 59 23.894 -0.848 0.478 154 HE3 TRP 59 HE3 TRP 59 21.452 3.255 -1.927 155 HZ2 TRP 59 HZ2 TRP 59 23.563 -1.240 -2.300 156 HZ3 TRP 59 HZ3 TRP 59 21.605 2.094 -4.086 157 HH2 TRP 59 HH2 TRP 59 22.636 -0.092 -4.266 158 H ASN 60 H ASN 60 22.277 6.398 -0.536 159 HA ASN 60 HA ASN 60 20.577 7.734 1.406 160 HA PRO 61 HA PRO 61 18.786 8.741 1.477 161 H GLU 62 H GLU 62 16.956 7.137 2.460 162 HA GLU 62 HA GLU 62 17.970 4.436 1.986 163 H ALA 63 H ALA 63 15.869 3.313 3.705 164 HA ALA 63 HA ALA 63 13.846 2.937 1.700 165 HA PRO 64 HA PRO 64 11.510 6.392 3.444 166 H ILE 65 H ILE 65 8.658 6.311 2.922 167 HA ILE 65 HA ILE 65 7.924 4.202 4.836 168 HB ILE 65 HB ILE 65 5.957 6.324 4.341 169 H CYS 66 H CYS 66 5.388 3.832 4.643 170 HA CYS 66 HA CYS 66 4.288 3.796 2.025 171 H GLU 67 H GLU 67 2.205 4.085 2.411 172 HA GLU 67 HA GLU 67 1.027 2.831 4.801 173 H SER 68 H SER 68 -1.360 2.393 4.571 174 HA SER 68 HA SER 68 -1.860 1.253 1.910 175 HG SER 68 HG SER 68 -3.762 -0.157 5.185 176 H VAL 69 H VAL 69 -3.298 2.211 0.688 177 HA VAL 69 HA VAL 69 -4.747 4.451 1.234 178 HB VAL 69 HB VAL 69 -6.286 3.737 -0.629 179 H LYS 70 H LYS 70 -5.806 4.478 3.197 180 HA LYS 70 HA LYS 70 -7.652 2.427 3.966 181 H CYS 71 H CYS 71 -9.723 2.240 3.431 182 HA CYS 71 HA CYS 71 -11.055 4.528 2.149 183 H GLN 72 H GLN 72 -12.628 5.536 3.171 184 HA GLN 72 HA GLN 72 -13.442 4.695 5.778 185 H SER 73 H SER 73 -16.086 5.296 5.930 186 HA SER 73 HA SER 73 -17.403 2.998 5.496 187 HG SER 73 HG SER 73 -17.541 5.911 7.101 188 HA PRO 74 HA PRO 74 -17.701 2.448 1.108 189 HA PRO 75 HA PRO 75 -20.063 5.604 -0.805 190 H SER 76 H SER 76 -22.129 6.550 -0.855 191 HA SER 76 HA SER 76 -24.081 5.240 0.913 192 HG SER 76 HG SER 76 -23.294 7.314 2.849 193 H ILE 77 H ILE 77 -25.162 4.074 -0.676 194 HA ILE 77 HA ILE 77 -26.100 5.209 -3.097 195 HB ILE 77 HB ILE 77 -27.465 3.197 -3.324 196 H SER 78 H SER 78 -28.513 5.123 -3.645 197 HA SER 78 HA SER 78 -29.895 6.788 -1.693 198 HG SER 78 HG SER 78 -29.801 7.859 -5.216 199 H ASN 79 H ASN 79 -31.641 6.184 -0.561 200 HA ASN 79 HA ASN 79 -33.303 4.904 0.306 201 H GLY 80 H GLY 80 -30.435 4.234 0.514 202 H ARG 81 H ARG 81 -28.264 0.797 2.100 203 HA ARG 81 HA ARG 81 -26.186 2.718 2.243 204 HE ARG 81 HE ARG 81 -27.572 2.539 7.922 205 1HH1 ARG 81 1HH1 ARG 81 -30.565 1.648 6.378 206 1HH2 ARG 81 1HH2 ARG 81 -28.216 1.152 9.613 207 H HIS 82 H HIS 82 -24.482 1.757 4.002 208 HA HIS 82 HA HIS 82 -24.062 -0.989 3.101 209 HD1 HIS 82 HD1 HIS 82 -22.270 0.572 6.528 210 HD2 HIS 82 HD2 HIS 82 -21.610 3.006 3.225 211 HE1 HIS 82 HE1 HIS 82 -21.643 2.820 7.464 212 HE2 HIS 82 HE2 HIS 82 -21.248 4.279 5.448 213 H ASN 83 H ASN 83 -22.775 -2.340 4.840 214 HA ASN 83 HA ASN 83 -24.256 -2.141 7.384 215 H GLY 84 H GLY 84 -21.501 -1.235 6.489 216 H TYR 85 H TYR 85 -18.359 -2.922 9.455 217 HA TYR 85 HA TYR 85 -20.007 -2.261 11.796 218 HD1 TYR 85 HD1 TYR 85 -18.341 -5.178 9.475 219 HD2 TYR 85 HD2 TYR 85 -21.099 -5.148 12.714 220 HE1 TYR 85 HE1 TYR 85 -19.712 -6.857 8.315 221 HE2 TYR 85 HE2 TYR 85 -22.478 -6.828 11.563 222 HH TYR 85 HH TYR 85 -21.509 -8.737 9.259 223 H GLU 86 H GLU 86 -16.918 -1.877 10.290 224 HA GLU 86 HA GLU 86 -15.793 -0.533 12.615 225 H ASP 87 H ASP 87 -14.240 1.403 11.575 226 HA ASP 87 HA ASP 87 -16.205 3.270 10.437 227 H PHE 88 H PHE 88 -13.182 1.732 9.890 228 HA PHE 88 HA PHE 88 -12.953 3.159 7.345 229 HD1 PHE 88 HD1 PHE 88 -12.232 5.213 10.002 230 HD2 PHE 88 HD2 PHE 88 -10.074 4.569 6.395 231 HE1 PHE 88 HE1 PHE 88 -12.241 7.632 9.571 232 HE2 PHE 88 HE2 PHE 88 -10.077 6.982 5.955 233 HZ PHE 88 HZ PHE 88 -11.160 8.525 7.542 234 H TYR 89 H TYR 89 -11.323 2.053 5.891 235 HA TYR 89 HA TYR 89 -11.064 -0.813 6.366 236 HD1 TYR 89 HD1 TYR 89 -14.035 1.402 5.656 237 HD2 TYR 89 HD2 TYR 89 -13.548 -2.797 5.169 238 HE1 TYR 89 HE1 TYR 89 -16.204 1.029 6.753 239 HE2 TYR 89 HE2 TYR 89 -15.715 -3.180 6.264 240 HH TYR 89 HH TYR 89 -17.463 -0.613 7.829 241 H THR 90 H THR 90 -9.802 -1.840 4.487 242 HA THR 90 HA THR 90 -7.883 0.078 3.359 243 HB THR 90 HB THR 90 -6.105 -1.714 3.830 244 HG1 THR 90 HG1 THR 90 -7.180 -3.442 4.529 245 H ASP 91 H ASP 91 -6.362 -1.185 1.779 246 HA ASP 91 HA ASP 91 -7.932 -2.076 -0.353 247 H GLY 92 H GLY 92 -9.224 -3.744 0.113 248 H SER 93 H SER 93 -10.765 -4.277 1.113 249 HA SER 93 HA SER 93 -11.797 -6.159 3.126 250 HG SER 93 HG SER 93 -10.124 -4.007 3.801 251 H VAL 94 H VAL 94 -14.210 -6.094 3.401 252 HA VAL 94 HA VAL 94 -15.619 -5.479 0.910 253 HB VAL 94 HB VAL 94 -15.750 -8.146 2.320 254 H VAL 95 H VAL 95 -17.902 -5.292 1.118 255 HA VAL 95 HA VAL 95 -19.068 -5.307 3.774 256 HB VAL 95 HB VAL 95 -19.090 -2.746 2.185 257 H THR 96 H THR 96 -21.326 -5.301 3.763 258 HA THR 96 HA THR 96 -22.518 -5.795 1.124 259 HB THR 96 HB THR 96 -24.380 -6.622 2.976 260 HG1 THR 96 HG1 THR 96 -21.813 -7.329 3.947 261 H TYR 97 H TYR 97 -24.370 -4.719 0.494 262 HA TYR 97 HA TYR 97 -24.970 -2.315 2.055 263 HD1 TYR 97 HD1 TYR 97 -22.622 -2.497 0.514 264 HD2 TYR 97 HD2 TYR 97 -25.521 0.295 -0.863 265 HE1 TYR 97 HE1 TYR 97 -20.876 -0.789 0.331 266 HE2 TYR 97 HE2 TYR 97 -23.776 2.014 -1.055 267 HH TYR 97 HH TYR 97 -20.976 1.755 -1.396 268 H SER 98 H SER 98 -27.145 -1.596 2.288 269 HA SER 98 HA SER 98 -29.263 -3.540 1.817 270 HG SER 98 HG SER 98 -27.551 -4.284 4.798 271 H CYS 99 H CYS 99 -31.278 -2.645 1.622 272 HA CYS 99 HA CYS 99 -31.406 0.168 1.143 273 H ASN 100 H ASN 100 -33.066 1.589 2.130 274 HA ASN 100 HA ASN 100 -32.999 1.280 5.021 275 H SER 101 H SER 101 -35.499 2.589 2.837 276 HA SER 101 HA SER 101 -37.617 2.047 4.606 277 HG SER 101 HG SER 101 -38.778 4.506 2.859 278 H GLY 102 H GLY 102 -35.980 0.061 2.308 279 H TYR 103 H TYR 103 -35.666 -0.614 0.521 280 HA TYR 103 HA TYR 103 -37.125 -1.398 -1.782 281 HD1 TYR 103 HD1 TYR 103 -36.603 0.382 -4.255 282 HD2 TYR 103 HD2 TYR 103 -35.830 1.842 -0.336 283 HE1 TYR 103 HE1 TYR 103 -37.928 2.393 -4.751 284 HE2 TYR 103 HE2 TYR 103 -37.153 3.858 -0.819 285 HH TYR 103 HH TYR 103 -38.893 4.602 -2.322 286 H SER 104 H SER 104 -35.534 -2.269 -3.657 287 HA SER 104 HA SER 104 -34.547 -4.862 -2.672 288 HG SER 104 HG SER 104 -37.030 -3.717 -4.263 289 H LEU 105 H LEU 105 -32.407 -4.558 -2.313 290 HA LEU 105 HA LEU 105 -30.691 -2.806 -3.454 291 HG LEU 105 HG LEU 105 -28.597 -2.856 -2.887 292 H ILE 106 H ILE 106 -29.875 -2.446 -5.329 293 HA ILE 106 HA ILE 106 -30.252 -4.367 -7.486 294 HB ILE 106 HB ILE 106 -29.350 -1.487 -7.479 295 H GLY 107 H GLY 107 -28.515 -5.025 -8.855 296 H ASN 108 H ASN 108 -24.456 -5.142 -6.856 297 HA ASN 108 HA ASN 108 -25.212 -7.586 -5.394 298 H SER 109 H SER 109 -25.214 -7.445 -3.223 299 HA SER 109 HA SER 109 -25.014 -4.946 -1.948 300 HG SER 109 HG SER 109 -25.501 -6.275 1.109 301 H GLY 110 H GLY 110 -22.727 -7.551 -2.404 302 H VAL 111 H VAL 111 -19.089 -5.369 -0.602 303 HA VAL 111 HA VAL 111 -18.521 -3.978 -3.120 304 HB VAL 111 HB VAL 111 -18.561 -2.458 -0.553 305 H LEU 112 H LEU 112 -16.425 -4.205 -3.573 306 HA LEU 112 HA LEU 112 -14.582 -5.085 -1.549 307 HG LEU 112 HG LEU 112 -12.105 -4.003 -3.455 308 H CYS 113 H CYS 113 -13.203 -3.911 -0.405 309 HA CYS 113 HA CYS 113 -13.011 -1.044 -0.934 310 H SER 114 H SER 114 -11.535 -0.700 -2.502 311 HA SER 114 HA SER 114 -8.813 -1.628 -2.023 312 HG SER 114 HG SER 114 -9.285 -2.018 -5.817 313 H GLY 115 H GLY 115 -7.228 -0.556 -3.434 314 H GLY 116 H GLY 116 -8.013 1.571 -1.667 315 H GLU 117 H GLU 117 -10.298 2.229 -2.621 316 HA GLU 117 HA GLU 117 -12.525 4.043 -2.104 317 H TRP 118 H TRP 118 -14.518 3.015 -3.434 318 HA TRP 118 HA TRP 118 -14.538 0.164 -2.715 319 HD1 TRP 118 HD1 TRP 118 -15.537 3.544 -0.581 320 HE1 TRP 118 HE1 TRP 118 -15.068 2.923 1.870 321 HE3 TRP 118 HE3 TRP 118 -16.401 -1.489 -0.837 322 HZ2 TRP 118 HZ2 TRP 118 -15.071 0.612 3.481 323 HZ3 TRP 118 HZ3 TRP 118 -16.140 -2.831 1.206 324 HH2 TRP 118 HH2 TRP 118 -15.493 -1.801 3.323 325 H SER 119 H SER 119 -15.439 -1.303 -4.113 326 HA SER 119 HA SER 119 -16.317 -0.256 -6.723 327 HG SER 119 HG SER 119 -13.081 -2.457 -6.375 328 H ASP 120 H ASP 120 -17.866 -1.456 -7.850 329 HA ASP 120 HA ASP 120 -19.662 -2.814 -8.150 330 HA PRO 121 HA PRO 121 -21.604 -0.953 -4.255 331 HA PRO 122 HA PRO 122 -25.413 -1.873 -6.420 332 H THR 123 H THR 123 -27.839 -1.444 -5.793 333 HA THR 123 HA THR 123 -28.179 1.370 -5.010 334 HB THR 123 HB THR 123 -30.056 0.497 -7.071 335 HG1 THR 123 HG1 THR 123 -28.575 0.514 -8.759 336 H CYS 124 H CYS 124 -30.975 1.400 -5.473 337 HA CYS 124 HA CYS 124 -32.095 -0.834 -4.038 338 H GLN 125 H GLN 125 -33.371 -1.149 -5.810 339 HA GLN 125 HA GLN 125 -35.436 0.895 -6.260 340 H ILE 126 H ILE 126 -37.514 0.070 -6.909 341 HA ILE 126 HA ILE 126 -38.171 -2.354 -5.459 342 HB ILE 126 HB ILE 126 -39.997 -0.411 -6.871 No H/Q in entry = 342 Start of MODEL 10 1 H ARG 7 H ARG 7 -35.170 -2.343 -2.187 2 HA ARG 7 HA ARG 7 -34.029 -4.055 -1.228 3 HE ARG 7 HE ARG 7 -37.755 -6.699 -3.416 4 1HH1 ARG 7 1HH1 ARG 7 -35.621 -9.447 -3.551 5 1HH2 ARG 7 1HH2 ARG 7 -39.415 -8.161 -3.973 6 H ARG 8 H ARG 8 -31.845 -5.267 -1.299 7 HA ARG 8 HA ARG 8 -29.643 -4.922 -0.833 8 HE ARG 8 HE ARG 8 -30.148 -5.935 -6.112 9 1HH1 ARG 8 1HH1 ARG 8 -27.262 -7.795 -5.529 10 1HH2 ARG 8 1HH2 ARG 8 -29.455 -5.837 -8.282 11 H CYS 9 H CYS 9 -27.724 -3.331 -2.059 12 HA CYS 9 HA CYS 9 -28.508 -0.612 -1.251 13 HA PRO 10 HA PRO 10 -26.936 0.880 -5.076 14 H SER 11 H SER 11 -24.932 1.335 -6.327 15 HA SER 11 HA SER 11 -23.099 -0.709 -6.099 16 HG SER 11 HG SER 11 -21.132 0.912 -8.622 17 HA PRO 12 HA PRO 12 -21.001 0.590 -2.291 18 H ARG 13 H ARG 13 -19.000 1.666 -1.824 19 HA ARG 13 HA ARG 13 -18.025 3.263 -4.001 20 HE ARG 13 HE ARG 13 -17.017 7.598 -2.642 21 1HH1 ARG 13 1HH1 ARG 13 -14.730 6.866 -0.121 22 1HH2 ARG 13 1HH2 ARG 13 -16.392 9.773 -2.359 23 H ASP 14 H ASP 14 -15.648 3.505 -4.350 24 HA ASP 14 HA ASP 14 -14.400 0.866 -4.338 25 H ILE 15 H ILE 15 -11.945 1.312 -5.129 26 HA ILE 15 HA ILE 15 -10.721 3.479 -3.629 27 HB ILE 15 HB ILE 15 -10.964 1.746 -1.935 28 H ASP 16 H ASP 16 -8.595 3.913 -4.280 29 HA ASP 16 HA ASP 16 -7.878 2.778 -6.854 30 H ASN 17 H ASN 17 -5.702 2.023 -7.271 31 HA ASN 17 HA ASN 17 -4.122 0.406 -6.875 32 H GLY 18 H GLY 18 -6.771 -0.072 -5.663 33 H GLN 19 H GLN 19 -8.009 -3.412 -3.071 34 HA GLN 19 HA GLN 19 -9.926 -3.580 -5.271 35 H LEU 20 H LEU 20 -11.965 -4.052 -4.638 36 HA LEU 20 HA LEU 20 -12.456 -4.282 -1.784 37 HG LEU 20 HG LEU 20 -13.448 -2.438 -4.664 38 H ASP 21 H ASP 21 -13.958 -5.875 -0.957 39 HA ASP 21 HA ASP 21 -14.017 -8.365 -2.531 40 H ILE 22 H ILE 22 -16.121 -7.332 -3.130 41 HA ILE 22 HA ILE 22 -18.157 -7.071 -1.151 42 HB ILE 22 HB ILE 22 -18.864 -7.422 -4.026 43 H GLY 23 H GLY 23 -18.499 -8.938 -0.048 44 H GLY 24 H GLY 24 -20.867 -8.785 -1.150 45 H VAL 25 H VAL 25 -24.701 -8.071 -1.752 46 HA VAL 25 HA VAL 25 -23.960 -5.432 -0.670 47 HB VAL 25 HB VAL 25 -24.735 -4.396 -2.696 48 H ASP 26 H ASP 26 -25.807 -7.299 0.573 49 HA ASP 26 HA ASP 26 -28.373 -5.950 0.130 50 H PHE 27 H PHE 27 -29.725 -5.569 2.044 51 HA PHE 27 HA PHE 27 -28.439 -3.901 3.888 52 HD1 PHE 27 HD1 PHE 27 -28.800 -2.796 5.505 53 HD2 PHE 27 HD2 PHE 27 -32.805 -4.239 5.545 54 HE1 PHE 27 HE1 PHE 27 -29.212 -1.589 7.612 55 HE2 PHE 27 HE2 PHE 27 -33.222 -3.037 7.649 56 HZ PHE 27 HZ PHE 27 -31.426 -1.714 8.686 57 H GLY 28 H GLY 28 -26.793 -4.955 4.915 58 H SER 29 H SER 29 -25.595 -6.290 4.193 59 HA SER 29 HA SER 29 -23.904 -8.602 4.655 60 HG SER 29 HG SER 29 -24.948 -9.195 1.763 61 H SER 30 H SER 30 -21.600 -7.864 3.289 62 HA SER 30 HA SER 30 -20.537 -5.425 4.344 63 HG SER 30 HG SER 30 -20.375 -8.812 5.274 64 H ILE 31 H ILE 31 -18.575 -4.869 3.505 65 HA ILE 31 HA ILE 31 -17.540 -6.628 1.376 66 HB ILE 31 HB ILE 31 -16.805 -3.779 1.249 67 H THR 32 H THR 32 -15.191 -6.415 0.958 68 HA THR 32 HA THR 32 -13.726 -5.625 3.389 69 HB THR 32 HB THR 32 -12.646 -7.802 1.663 70 HG1 THR 32 HG1 THR 32 -14.074 -9.225 2.272 71 H TYR 33 H TYR 33 -12.346 -4.042 3.050 72 HA TYR 33 HA TYR 33 -11.551 -3.408 0.333 73 HD1 TYR 33 HD1 TYR 33 -13.849 -2.614 0.956 74 HD2 TYR 33 HD2 TYR 33 -10.981 0.503 0.829 75 HE1 TYR 33 HE1 TYR 33 -15.365 -1.307 -0.484 76 HE2 TYR 33 HE2 TYR 33 -12.478 1.848 -0.583 77 HH TYR 33 HH TYR 33 -15.397 1.613 -0.894 78 H SER 34 H SER 34 -9.505 -3.308 -0.421 79 HA SER 34 HA SER 34 -7.250 -3.881 1.303 80 HG SER 34 HG SER 34 -7.116 -6.380 1.861 81 H CYS 35 H CYS 35 -5.182 -3.961 0.084 82 HA CYS 35 HA CYS 35 -5.224 -1.953 -2.012 83 H ASN 36 H ASN 36 -3.479 -2.289 -3.781 84 HA ASN 36 HA ASN 36 -4.234 -4.661 -5.217 85 H SER 37 H SER 37 -0.937 -3.405 -5.103 86 HA SER 37 HA SER 37 0.054 -5.824 -3.852 87 HG SER 37 HG SER 37 1.223 -7.351 -4.834 88 H GLY 38 H GLY 38 1.882 -5.467 -2.727 89 H TYR 39 H TYR 39 0.848 -3.352 -1.623 90 HA TYR 39 HA TYR 39 1.449 -0.544 -0.951 91 HD1 TYR 39 HD1 TYR 39 1.696 -0.764 -3.418 92 HD2 TYR 39 HD2 TYR 39 -1.943 1.240 -2.514 93 HE1 TYR 39 HE1 TYR 39 2.219 0.934 -5.115 94 HE2 TYR 39 HE2 TYR 39 -1.431 2.946 -4.209 95 HH TYR 39 HH TYR 39 0.096 2.918 -6.445 96 H HIS 40 H HIS 40 -0.173 0.311 0.732 97 HA HIS 40 HA HIS 40 -0.835 -1.743 2.707 98 HD1 HIS 40 HD1 HIS 40 0.793 1.621 5.631 99 HD2 HIS 40 HD2 HIS 40 0.551 1.963 1.501 100 HE1 HIS 40 HE1 HIS 40 1.076 4.072 5.142 101 HE2 HIS 40 HE2 HIS 40 0.926 4.256 2.634 102 H LEU 41 H LEU 41 -2.814 -1.532 3.492 103 HA LEU 41 HA LEU 41 -4.406 0.739 2.641 104 HG LEU 41 HG LEU 41 -6.772 0.468 3.755 105 H ILE 42 H ILE 42 -4.878 2.413 3.910 106 HA ILE 42 HA ILE 42 -4.343 2.130 6.788 107 HB ILE 42 HB ILE 42 -4.662 4.847 5.690 108 H GLY 43 H GLY 43 -5.860 2.382 8.190 109 H GLU 44 H GLU 44 -10.346 2.245 7.836 110 HA GLU 44 HA GLU 44 -10.166 -0.189 9.371 111 H SER 45 H SER 45 -12.055 -1.364 7.110 112 HA SER 45 HA SER 45 -10.681 -1.768 4.778 113 HG SER 45 HG SER 45 -8.515 -4.380 4.900 114 H LYS 46 H LYS 46 -13.401 -1.700 6.079 115 HA LYS 46 HA LYS 46 -14.561 -3.759 4.435 116 H SER 47 H SER 47 -16.538 -3.187 3.721 117 HA SER 47 HA SER 47 -17.827 -0.848 4.964 118 HG SER 47 HG SER 47 -19.483 -0.225 1.853 119 H TYR 48 H TYR 48 -20.045 -0.922 5.462 120 HA TYR 48 HA TYR 48 -21.217 -3.616 5.133 121 HD1 TYR 48 HD1 TYR 48 -19.564 -4.820 6.699 122 HD2 TYR 48 HD2 TYR 48 -20.208 -1.307 8.998 123 HE1 TYR 48 HE1 TYR 48 -17.359 -5.109 7.747 124 HE2 TYR 48 HE2 TYR 48 -18.006 -1.574 10.046 125 HH TYR 48 HH TYR 48 -16.389 -3.382 10.498 126 H CYS 49 H CYS 49 -22.992 -3.653 4.052 127 HA CYS 49 HA CYS 49 -24.411 -1.354 3.247 128 H GLU 50 H GLU 50 -25.243 -0.130 4.854 129 HA GLU 50 HA GLU 50 -27.255 -1.433 6.565 130 H LEU 51 H LEU 51 -28.480 0.639 7.703 131 HA LEU 51 HA LEU 51 -29.712 1.979 5.410 132 HG LEU 51 HG LEU 51 -30.111 2.486 8.944 133 H GLY 52 H GLY 52 -30.228 4.208 5.472 134 H SER 53 H SER 53 -30.657 7.843 6.763 135 HA SER 53 HA SER 53 -31.142 7.444 9.640 136 HG SER 53 HG SER 53 -30.140 9.137 10.658 137 H THR 54 H THR 54 -32.618 8.068 6.536 138 HA THR 54 HA THR 54 -35.279 8.145 7.761 139 HB THR 54 HB THR 54 -36.062 8.851 5.534 140 HG1 THR 54 HG1 THR 54 -34.828 8.702 3.842 141 H GLY 55 H GLY 55 -33.659 5.710 7.604 142 H SER 56 H SER 56 -32.876 5.340 5.232 143 HA SER 56 HA SER 56 -33.503 4.130 2.694 144 HG SER 56 HG SER 56 -32.481 5.733 0.913 145 H MET 57 H MET 57 -30.920 3.972 1.584 146 HA MET 57 HA MET 57 -29.749 1.702 3.042 147 H VAL 58 H VAL 58 -27.689 1.979 3.525 148 HA VAL 58 HA VAL 58 -26.014 3.656 1.797 149 HB VAL 58 HB VAL 58 -24.934 4.496 3.978 150 H TRP 59 H TRP 59 -23.637 3.520 2.789 151 HA TRP 59 HA TRP 59 -23.127 0.692 3.424 152 HD1 TRP 59 HD1 TRP 59 -23.630 1.828 -0.422 153 HE1 TRP 59 HE1 TRP 59 -24.239 -0.380 -1.602 154 HE3 TRP 59 HE3 TRP 59 -21.038 -1.416 2.566 155 HZ2 TRP 59 HZ2 TRP 59 -23.688 -3.138 -1.292 156 HZ3 TRP 59 HZ3 TRP 59 -21.139 -3.819 2.055 157 HH2 TRP 59 HH2 TRP 59 -22.425 -4.655 0.177 158 H ASN 60 H ASN 60 -21.924 0.322 5.159 159 HA ASN 60 HA ASN 60 -20.942 2.464 6.788 160 HA PRO 61 HA PRO 61 -16.574 3.261 6.303 161 H GLU 62 H GLU 62 -17.032 3.448 4.158 162 HA GLU 62 HA GLU 62 -17.189 1.358 2.283 163 H ALA 63 H ALA 63 -14.707 3.795 2.881 164 HA ALA 63 HA ALA 63 -12.833 2.714 1.110 165 HA PRO 64 HA PRO 64 -10.618 3.829 3.896 166 H ILE 65 H ILE 65 -7.923 4.098 3.449 167 HA ILE 65 HA ILE 65 -7.870 4.453 0.553 168 HB ILE 65 HB ILE 65 -5.681 5.486 2.267 169 H CYS 66 H CYS 66 -5.525 4.333 -0.379 170 HA CYS 66 HA CYS 66 -3.989 2.118 0.725 171 H GLU 67 H GLU 67 -1.855 2.305 0.369 172 HA GLU 67 HA GLU 67 -0.902 4.092 -1.742 173 H SER 68 H SER 68 1.615 3.997 -1.760 174 HA SER 68 HA SER 68 2.304 1.178 -1.870 175 HG SER 68 HG SER 68 3.716 4.532 -2.614 176 H VAL 69 H VAL 69 3.267 0.189 -0.265 177 HA VAL 69 HA VAL 69 4.054 1.109 2.138 178 HB VAL 69 HB VAL 69 5.939 -0.784 1.922 179 H LYS 70 H LYS 70 5.137 3.006 2.305 180 HA LYS 70 HA LYS 70 7.387 3.709 0.755 181 H CYS 71 H CYS 71 9.530 3.490 1.071 182 HA CYS 71 HA CYS 71 10.408 2.023 3.473 183 H GLN 72 H GLN 72 11.759 3.062 4.750 184 HA GLN 72 HA GLN 72 12.663 5.680 4.130 185 H SER 73 H SER 73 15.310 5.511 5.330 186 HA SER 73 HA SER 73 16.868 5.304 3.067 187 HG SER 73 HG SER 73 18.923 6.762 4.141 188 HA PRO 74 HA PRO 74 17.335 0.970 2.347 189 HA PRO 75 HA PRO 75 19.295 -1.209 5.629 190 H SER 76 H SER 76 21.225 -1.341 6.809 191 HA SER 76 HA SER 76 23.312 0.520 5.900 192 HG SER 76 HG SER 76 21.215 0.373 8.975 193 H ILE 77 H ILE 77 24.556 -0.922 4.727 194 HA ILE 77 HA ILE 77 25.339 -3.472 5.680 195 HB ILE 77 HB ILE 77 26.953 -3.498 3.864 196 H SER 78 H SER 78 27.826 -3.963 5.736 197 HA SER 78 HA SER 78 28.905 -2.293 7.873 198 HG SER 78 HG SER 78 28.710 -5.894 8.417 199 H ASN 79 H ASN 79 30.841 -1.251 7.779 200 HA ASN 79 HA ASN 79 32.560 -0.103 6.837 201 H GLY 80 H GLY 80 29.862 0.196 5.721 202 H ARG 81 H ARG 81 28.248 2.075 2.150 203 HA ARG 81 HA ARG 81 26.108 2.561 3.993 204 HE ARG 81 HE ARG 81 30.632 6.965 2.964 205 1HH1 ARG 81 1HH1 ARG 81 27.228 7.547 2.512 206 1HH2 ARG 81 1HH2 ARG 81 30.956 8.605 1.413 207 H HIS 82 H HIS 82 24.563 4.282 2.772 208 HA HIS 82 HA HIS 82 24.287 3.231 0.035 209 HD1 HIS 82 HD1 HIS 82 22.290 6.285 1.931 210 HD2 HIS 82 HD2 HIS 82 21.492 2.659 3.798 211 HE1 HIS 82 HE1 HIS 82 21.466 6.881 4.231 212 HE2 HIS 82 HE2 HIS 82 20.989 4.671 5.345 213 H ASN 83 H ASN 83 22.940 4.800 -1.387 214 HA ASN 83 HA ASN 83 24.246 7.415 -1.198 215 H GLY 84 H GLY 84 21.179 6.703 -2.790 216 H TYR 85 H TYR 85 18.062 9.531 -2.791 217 HA TYR 85 HA TYR 85 19.670 11.945 -2.317 218 HD1 TYR 85 HD1 TYR 85 18.079 9.386 -5.066 219 HD2 TYR 85 HD2 TYR 85 20.791 12.656 -5.269 220 HE1 TYR 85 HE1 TYR 85 19.479 8.119 -6.641 221 HE2 TYR 85 HE2 TYR 85 22.199 11.400 -6.846 222 HH TYR 85 HH TYR 85 22.313 8.413 -7.233 223 H GLU 86 H GLU 86 16.536 10.455 -2.017 224 HA GLU 86 HA GLU 86 15.444 12.815 -0.686 225 H ASP 87 H ASP 87 13.685 11.797 1.077 226 HA ASP 87 HA ASP 87 15.442 10.580 3.076 227 H PHE 88 H PHE 88 12.655 9.932 1.167 228 HA PHE 88 HA PHE 88 12.380 7.339 2.514 229 HD1 PHE 88 HD1 PHE 88 11.049 10.021 4.351 230 HD2 PHE 88 HD2 PHE 88 9.492 6.170 3.445 231 HE1 PHE 88 HE1 PHE 88 10.683 9.612 6.747 232 HE2 PHE 88 HE2 PHE 88 9.123 5.751 5.835 233 HZ PHE 88 HZ PHE 88 9.716 7.473 7.496 234 H TYR 89 H TYR 89 10.809 5.917 1.095 235 HA TYR 89 HA TYR 89 11.153 6.351 -1.752 236 HD1 TYR 89 HD1 TYR 89 13.771 5.469 1.019 237 HD2 TYR 89 HD2 TYR 89 13.899 5.516 -3.232 238 HE1 TYR 89 HE1 TYR 89 15.925 6.651 1.103 239 HE2 TYR 89 HE2 TYR 89 16.052 6.699 -3.161 240 HH TYR 89 HH TYR 89 17.178 8.311 -0.680 241 H THR 90 H THR 90 10.060 4.600 -3.025 242 HA THR 90 HA THR 90 7.885 3.360 -1.478 243 HB THR 90 HB THR 90 6.427 3.845 -3.517 244 HG1 THR 90 HG1 THR 90 8.224 4.461 -4.863 245 H ASP 91 H ASP 91 6.615 1.828 -3.105 246 HA ASP 91 HA ASP 91 8.390 -0.259 -3.725 247 H GLY 92 H GLY 92 9.845 0.068 -5.157 248 H SER 93 H SER 93 11.294 1.359 -5.312 249 HA SER 93 HA SER 93 12.632 3.381 -6.977 250 HG SER 93 HG SER 93 10.601 3.806 -5.207 251 H VAL 94 H VAL 94 14.971 3.698 -6.636 252 HA VAL 94 HA VAL 94 16.349 1.239 -5.826 253 HB VAL 94 HB VAL 94 16.845 2.758 -8.387 254 H VAL 95 H VAL 95 18.532 1.480 -5.219 255 HA VAL 95 HA VAL 95 19.602 4.179 -4.941 256 HB VAL 95 HB VAL 95 19.371 2.369 -2.541 257 H THR 96 H THR 96 21.845 4.237 -4.668 258 HA THR 96 HA THR 96 23.176 1.692 -5.265 259 HB THR 96 HB THR 96 25.040 3.679 -5.714 260 HG1 THR 96 HG1 THR 96 22.579 4.600 -6.758 261 H TYR 97 H TYR 97 24.648 0.857 -3.939 262 HA TYR 97 HA TYR 97 25.110 2.222 -1.406 263 HD1 TYR 97 HD1 TYR 97 22.774 0.646 -2.003 264 HD2 TYR 97 HD2 TYR 97 25.413 -0.841 0.981 265 HE1 TYR 97 HE1 TYR 97 20.871 0.340 -0.482 266 HE2 TYR 97 HE2 TYR 97 23.514 -1.156 2.512 267 HH TYR 97 HH TYR 97 20.661 -1.484 1.858 268 H SER 98 H SER 98 27.255 2.235 -0.446 269 HA SER 98 HA SER 98 29.537 1.898 -2.185 270 HG SER 98 HG SER 98 29.740 5.216 -0.447 271 H CYS 99 H CYS 99 31.457 1.711 -1.090 272 HA CYS 99 HA CYS 99 31.282 1.097 1.685 273 H ASN 100 H ASN 100 32.679 2.012 3.359 274 HA ASN 100 HA ASN 100 32.684 4.919 3.192 275 H SER 101 H SER 101 34.895 2.632 4.799 276 HA SER 101 HA SER 101 37.099 4.368 4.724 277 HG SER 101 HG SER 101 38.394 2.288 6.992 278 H GLY 102 H GLY 102 35.789 2.274 2.323 279 H TYR 103 H TYR 103 35.606 0.511 1.534 280 HA TYR 103 HA TYR 103 37.134 -1.758 0.759 281 HD1 TYR 103 HD1 TYR 103 35.531 -0.197 3.690 282 HD2 TYR 103 HD2 TYR 103 36.322 -4.251 2.668 283 HE1 TYR 103 HE1 TYR 103 36.580 -0.539 5.888 284 HE2 TYR 103 HE2 TYR 103 37.373 -4.605 4.862 285 HH TYR 103 HH TYR 103 37.233 -3.553 7.163 286 H SER 104 H SER 104 35.477 -3.513 -0.431 287 HA SER 104 HA SER 104 34.989 -2.272 -3.044 288 HG SER 104 HG SER 104 36.349 -4.116 -4.878 289 H LEU 105 H LEU 105 32.927 -1.873 -3.319 290 HA LEU 105 HA LEU 105 30.732 -2.866 -2.028 291 HG LEU 105 HG LEU 105 29.054 -0.346 -3.946 292 H ILE 106 H ILE 106 30.091 -4.877 -1.793 293 HA ILE 106 HA ILE 106 30.784 -6.904 -3.735 294 HB ILE 106 HB ILE 106 29.315 -7.073 -1.110 295 H GLY 107 H GLY 107 29.281 -8.205 -4.823 296 H ASN 108 H ASN 108 25.088 -6.533 -5.548 297 HA ASN 108 HA ASN 108 26.089 -4.578 -7.497 298 H SER 109 H SER 109 26.031 -2.457 -7.060 299 HA SER 109 HA SER 109 25.582 -1.524 -4.427 300 HG SER 109 HG SER 109 26.084 1.798 -5.987 301 H GLY 110 H GLY 110 23.583 -1.819 -7.233 302 H VAL 111 H VAL 111 19.712 -0.220 -5.329 303 HA VAL 111 HA VAL 111 19.054 -2.856 -4.216 304 HB VAL 111 HB VAL 111 18.834 -0.402 -2.535 305 H LEU 112 H LEU 112 16.981 -3.348 -4.604 306 HA LEU 112 HA LEU 112 15.212 -1.332 -5.645 307 HG LEU 112 HG LEU 112 12.659 -3.132 -4.966 308 H CYS 113 H CYS 113 13.734 -0.208 -4.601 309 HA CYS 113 HA CYS 113 13.134 -0.848 -1.812 310 H SER 114 H SER 114 11.608 -2.360 -1.674 311 HA SER 114 HA SER 114 9.023 -1.870 -2.880 312 HG SER 114 HG SER 114 10.387 -5.531 -3.537 313 H GLY 115 H GLY 115 7.404 -3.491 -2.136 314 H GLY 116 H GLY 116 7.799 -1.867 0.212 315 H GLU 117 H GLU 117 9.999 -3.000 1.140 316 HA GLU 117 HA GLU 117 12.022 -2.418 3.181 317 H TRP 118 H TRP 118 14.179 -3.571 2.364 318 HA TRP 118 HA TRP 118 14.492 -2.775 -0.450 319 HD1 TRP 118 HD1 TRP 118 15.041 -0.786 3.099 320 HE1 TRP 118 HE1 TRP 118 14.639 1.694 2.558 321 HE3 TRP 118 HE3 TRP 118 16.562 -0.752 -1.784 322 HZ2 TRP 118 HZ2 TRP 118 14.925 3.433 0.365 323 HZ3 TRP 118 HZ3 TRP 118 16.463 1.367 -3.033 324 HH2 TRP 118 HH2 TRP 118 15.661 3.418 -1.975 325 H SER 119 H SER 119 15.398 -4.168 -1.871 326 HA SER 119 HA SER 119 16.362 -6.738 -0.806 327 HG SER 119 HG SER 119 13.206 -6.527 -3.135 328 H ASP 120 H ASP 120 17.911 -7.865 -2.113 329 HA ASP 120 HA ASP 120 19.764 -8.048 -3.423 330 HA PRO 121 HA PRO 121 21.613 -4.190 -1.333 331 HA PRO 122 HA PRO 122 25.524 -6.268 -1.906 332 H THR 123 H THR 123 27.890 -5.711 -1.137 333 HA THR 123 HA THR 123 27.895 -5.170 1.752 334 HB THR 123 HB THR 123 29.810 -7.233 0.944 335 HG1 THR 123 HG1 THR 123 28.339 -8.846 0.621 336 H CYS 124 H CYS 124 30.448 -5.299 2.398 337 HA CYS 124 HA CYS 124 32.004 -3.915 0.353 338 H GLN 125 H GLN 125 33.473 -5.530 0.202 339 HA GLN 125 HA GLN 125 35.006 -6.128 2.642 340 H ILE 126 H ILE 126 37.248 -6.966 2.073 341 HA ILE 126 HA ILE 126 38.433 -5.071 0.194 342 HB ILE 126 HB ILE 126 39.768 -6.823 2.258 No H/Q in entry = 342 Start of MODEL 11 1 H ARG 7 H ARG 7 32.370 -6.794 5.048 2 HA ARG 7 HA ARG 7 32.867 -5.968 2.460 3 HE ARG 7 HE ARG 7 34.120 -10.805 4.766 4 1HH1 ARG 7 1HH1 ARG 7 36.065 -8.485 3.046 5 1HH2 ARG 7 1HH2 ARG 7 35.834 -12.268 4.408 6 H ARG 8 H ARG 8 31.076 -6.615 0.653 7 HA ARG 8 HA ARG 8 29.415 -5.588 -0.545 8 HE ARG 8 HE ARG 8 28.509 -10.059 -1.128 9 1HH1 ARG 8 1HH1 ARG 8 27.891 -10.339 2.287 10 1HH2 ARG 8 1HH2 ARG 8 29.532 -12.090 -0.949 11 H CYS 9 H CYS 9 27.056 -4.340 0.309 12 HA CYS 9 HA CYS 9 28.084 -1.711 0.984 13 HA PRO 10 HA PRO 10 26.727 -1.626 5.168 14 H SER 11 H SER 11 24.794 -1.287 6.599 15 HA SER 11 HA SER 11 22.623 -2.710 5.732 16 HG SER 11 HG SER 11 23.955 -0.953 8.623 17 HA PRO 12 HA PRO 12 20.838 0.324 2.911 18 H ARG 13 H ARG 13 18.869 1.508 2.815 19 HA ARG 13 HA ARG 13 17.684 2.119 5.265 20 HE ARG 13 HE ARG 13 15.710 6.213 5.456 21 1HH1 ARG 13 1HH1 ARG 13 16.999 7.408 2.451 22 1HH2 ARG 13 1HH2 ARG 13 15.507 8.404 6.058 23 H ASP 14 H ASP 14 15.114 2.035 5.389 24 HA ASP 14 HA ASP 14 14.230 -0.690 4.748 25 H ILE 15 H ILE 15 13.485 2.538 4.656 26 HA ILE 15 HA ILE 15 11.634 3.783 4.346 27 HB ILE 15 HB ILE 15 11.333 2.130 2.478 28 H ASP 16 H ASP 16 9.529 4.341 5.205 29 HA ASP 16 HA ASP 16 9.298 3.353 7.912 30 H ASN 17 H ASN 17 6.866 4.061 5.397 31 HA ASN 17 HA ASN 17 5.044 2.209 6.704 32 H GLY 18 H GLY 18 7.419 1.279 5.159 33 H GLN 19 H GLN 19 7.654 -2.248 2.519 34 HA GLN 19 HA GLN 19 9.836 -2.789 4.394 35 H LEU 20 H LEU 20 11.644 -3.638 3.432 36 HA LEU 20 HA LEU 20 11.572 -3.726 0.525 37 HG LEU 20 HG LEU 20 13.642 -2.831 3.546 38 H ASP 21 H ASP 21 13.219 -5.304 -0.453 39 HA ASP 21 HA ASP 21 13.082 -7.939 0.833 40 H ILE 22 H ILE 22 15.257 -7.700 1.405 41 HA ILE 22 HA ILE 22 17.264 -6.922 -0.444 42 HB ILE 22 HB ILE 22 17.626 -8.412 2.152 43 H GLY 23 H GLY 23 17.979 -8.046 -2.083 44 H GLY 24 H GLY 24 20.091 -8.507 -1.459 45 H VAL 25 H VAL 25 24.015 -8.199 -1.159 46 HA VAL 25 HA VAL 25 23.343 -5.333 -1.082 47 HB VAL 25 HB VAL 25 24.569 -5.294 1.137 48 H ASP 26 H ASP 26 25.446 -7.363 -2.479 49 HA ASP 26 HA ASP 26 27.922 -6.060 -1.837 50 H PHE 27 H PHE 27 29.270 -5.064 -3.539 51 HA PHE 27 HA PHE 27 28.091 -2.756 -4.541 52 HD1 PHE 27 HD1 PHE 27 28.493 -1.083 -5.431 53 HD2 PHE 27 HD2 PHE 27 32.278 -2.667 -6.571 54 HE1 PHE 27 HE1 PHE 27 28.930 0.930 -6.781 55 HE2 PHE 27 HE2 PHE 27 32.713 -0.660 -7.926 56 HZ PHE 27 HZ PHE 27 31.036 1.138 -8.034 57 H GLY 28 H GLY 28 26.410 -2.889 -5.906 58 H SER 29 H SER 29 24.974 -4.360 -5.690 59 HA SER 29 HA SER 29 23.131 -6.204 -6.978 60 HG SER 29 HG SER 29 23.948 -4.826 -3.590 61 H SER 30 H SER 30 20.871 -5.985 -5.452 62 HA SER 30 HA SER 30 19.946 -3.269 -5.368 63 HG SER 30 HG SER 30 19.584 -5.074 -8.763 64 H ILE 31 H ILE 31 17.897 -3.034 -4.409 65 HA ILE 31 HA ILE 31 16.885 -5.480 -3.101 66 HB ILE 31 HB ILE 31 16.201 -2.878 -1.875 67 H THR 32 H THR 32 14.520 -5.213 -2.386 68 HA THR 32 HA THR 32 13.024 -3.763 -4.467 69 HB THR 32 HB THR 32 11.732 -6.145 -3.310 70 HG1 THR 32 HG1 THR 32 13.043 -7.597 -4.152 71 H TYR 33 H TYR 33 11.978 -2.130 -3.578 72 HA TYR 33 HA TYR 33 11.187 -2.218 -0.788 73 HD1 TYR 33 HD1 TYR 33 13.806 -0.857 -2.368 74 HD2 TYR 33 HD2 TYR 33 11.259 0.971 0.500 75 HE1 TYR 33 HE1 TYR 33 15.772 -0.265 -1.014 76 HE2 TYR 33 HE2 TYR 33 13.218 1.575 1.866 77 HH TYR 33 HH TYR 33 16.281 0.253 1.355 78 H SER 34 H SER 34 9.167 -2.174 0.001 79 HA SER 34 HA SER 34 6.890 -2.050 -1.816 80 HG SER 34 HG SER 34 5.024 -4.041 -1.097 81 H CYS 35 H CYS 35 4.787 -2.129 -0.464 82 HA CYS 35 HA CYS 35 5.154 -0.263 1.732 83 H ASN 36 H ASN 36 3.730 -0.537 3.688 84 HA ASN 36 HA ASN 36 4.379 -2.956 4.979 85 H SER 37 H SER 37 1.046 -1.794 4.975 86 HA SER 37 HA SER 37 0.084 -4.148 3.600 87 HG SER 37 HG SER 37 -0.630 -6.199 5.105 88 H GLY 38 H GLY 38 -1.785 -3.744 2.559 89 H TYR 39 H TYR 39 -0.857 -1.451 1.733 90 HA TYR 39 HA TYR 39 -1.612 1.375 1.362 91 HD1 TYR 39 HD1 TYR 39 -1.765 0.920 3.712 92 HD2 TYR 39 HD2 TYR 39 1.910 2.959 3.055 93 HE1 TYR 39 HE1 TYR 39 -2.211 2.342 5.668 94 HE2 TYR 39 HE2 TYR 39 1.474 4.387 5.008 95 HH TYR 39 HH TYR 39 -0.970 3.710 7.273 96 H HIS 40 H HIS 40 -0.038 2.456 -0.285 97 HA HIS 40 HA HIS 40 0.561 0.656 -2.507 98 HD1 HIS 40 HD1 HIS 40 -1.098 4.087 -5.164 99 HD2 HIS 40 HD2 HIS 40 -0.920 4.333 -1.021 100 HE1 HIS 40 HE1 HIS 40 -1.329 6.532 -4.626 101 HE2 HIS 40 HE2 HIS 40 -1.219 6.659 -2.111 102 H LEU 41 H LEU 41 2.642 0.895 -2.873 103 HA LEU 41 HA LEU 41 4.075 3.257 -2.092 104 HG LEU 41 HG LEU 41 6.574 3.096 -2.935 105 H ILE 42 H ILE 42 4.661 4.935 -3.323 106 HA ILE 42 HA ILE 42 3.975 4.812 -6.180 107 HB ILE 42 HB ILE 42 4.566 7.410 -4.839 108 H GLY 43 H GLY 43 5.381 5.794 -7.718 109 H GLU 44 H GLU 44 9.905 5.346 -7.100 110 HA GLU 44 HA GLU 44 9.989 2.913 -8.638 111 H SER 45 H SER 45 11.359 1.114 -7.292 112 HA SER 45 HA SER 45 10.344 0.649 -4.644 113 HG SER 45 HG SER 45 9.009 -1.815 -7.551 114 H LYS 46 H LYS 46 12.920 0.794 -6.182 115 HA LYS 46 HA LYS 46 14.068 -1.619 -5.043 116 H SER 47 H SER 47 16.026 -1.292 -4.221 117 HA SER 47 HA SER 47 17.371 1.270 -4.704 118 HG SER 47 HG SER 47 18.921 1.752 -3.112 119 H TYR 48 H TYR 48 19.671 1.313 -5.196 120 HA TYR 48 HA TYR 48 20.655 -1.316 -6.116 121 HD1 TYR 48 HD1 TYR 48 18.748 -1.470 -7.783 122 HD2 TYR 48 HD2 TYR 48 19.977 2.481 -8.754 123 HE1 TYR 48 HE1 TYR 48 16.524 -1.018 -8.733 124 HE2 TYR 48 HE2 TYR 48 17.758 2.949 -9.702 125 HH TYR 48 HH TYR 48 15.798 1.178 -10.762 126 H CYS 49 H CYS 49 22.322 -1.887 -5.046 127 HA CYS 49 HA CYS 49 23.878 -0.188 -3.426 128 H GLU 50 H GLU 50 25.123 1.373 -4.212 129 HA GLU 50 HA GLU 50 27.073 0.659 -6.281 130 H LEU 51 H LEU 51 28.508 2.834 -6.567 131 HA LEU 51 HA LEU 51 29.773 3.129 -3.992 132 HG LEU 51 HG LEU 51 31.296 1.742 -5.368 133 H GLY 52 H GLY 52 30.592 5.338 -3.351 134 H SER 53 H SER 53 31.251 8.654 -2.638 135 HA SER 53 HA SER 53 31.428 9.837 -5.324 136 HG SER 53 HG SER 53 30.978 12.553 -5.228 137 H THR 54 H THR 54 33.006 9.420 -2.178 138 HA THR 54 HA THR 54 35.619 9.839 -3.427 139 HB THR 54 HB THR 54 36.502 9.981 -1.183 140 HG1 THR 54 HG1 THR 54 35.547 8.743 0.211 141 H GLY 55 H GLY 55 33.938 7.442 -3.871 142 H SER 56 H SER 56 33.020 6.416 -1.965 143 HA SER 56 HA SER 56 33.204 4.295 -0.028 144 HG SER 56 HG SER 56 32.378 7.898 0.332 145 H MET 57 H MET 57 30.933 3.445 0.729 146 HA MET 57 HA MET 57 29.626 2.324 -1.654 147 H VAL 58 H VAL 58 27.555 2.762 -2.037 148 HA VAL 58 HA VAL 58 25.862 3.772 0.127 149 HB VAL 58 HB VAL 58 24.955 5.524 -1.368 150 H TRP 59 H TRP 59 23.552 4.235 -1.077 151 HA TRP 59 HA TRP 59 22.954 1.855 -2.697 152 HD1 TRP 59 HD1 TRP 59 23.472 1.509 1.236 153 HE1 TRP 59 HE1 TRP 59 23.898 -0.999 1.632 154 HE3 TRP 59 HE3 TRP 59 20.595 -0.403 -2.534 155 HZ2 TRP 59 HZ2 TRP 59 23.113 -3.464 0.486 156 HZ3 TRP 59 HZ3 TRP 59 20.492 -2.844 -2.818 157 HH2 TRP 59 HH2 TRP 59 21.719 -4.334 -1.340 158 H ASN 60 H ASN 60 21.600 2.170 -4.382 159 HA ASN 60 HA ASN 60 20.875 4.861 -5.105 160 HA PRO 61 HA PRO 61 16.622 5.844 -4.321 161 H GLU 62 H GLU 62 16.746 4.998 -2.275 162 HA GLU 62 HA GLU 62 16.295 2.234 -1.746 163 H ALA 63 H ALA 63 14.644 4.730 0.103 164 HA ALA 63 HA ALA 63 12.223 3.123 -0.049 165 HA PRO 64 HA PRO 64 10.580 6.287 -2.862 166 H ILE 65 H ILE 65 7.705 6.128 -3.178 167 HA ILE 65 HA ILE 65 6.919 7.364 -0.669 168 HB ILE 65 HB ILE 65 5.120 7.050 -3.028 169 H CYS 66 H CYS 66 4.697 6.865 0.174 170 HA CYS 66 HA CYS 66 3.540 4.317 -0.378 171 H GLU 67 H GLU 67 1.472 4.231 0.332 172 HA GLU 67 HA GLU 67 0.552 5.823 2.548 173 H SER 68 H SER 68 -1.901 5.626 2.749 174 HA SER 68 HA SER 68 -2.575 2.841 2.441 175 HG SER 68 HG SER 68 -5.580 4.527 2.964 176 H VAL 69 H VAL 69 -3.634 1.983 0.835 177 HA VAL 69 HA VAL 69 -4.412 3.259 -1.467 178 HB VAL 69 HB VAL 69 -5.948 1.241 -1.826 179 H LYS 70 H LYS 70 -5.692 4.955 -1.462 180 HA LYS 70 HA LYS 70 -7.909 5.297 0.261 181 H CYS 71 H CYS 71 -9.880 4.497 0.114 182 HA CYS 71 HA CYS 71 -10.887 3.665 -2.527 183 H GLN 72 H GLN 72 -12.405 4.910 -3.355 184 HA GLN 72 HA GLN 72 -13.459 7.103 -1.893 185 H SER 73 H SER 73 -16.144 7.175 -2.811 186 HA SER 73 HA SER 73 -17.483 5.996 -0.701 187 HG SER 73 HG SER 73 -19.382 6.970 -0.576 188 HA PRO 74 HA PRO 74 -17.644 1.695 -1.673 189 HA PRO 75 HA PRO 75 -19.588 0.885 -5.517 190 H SER 76 H SER 76 -21.527 1.201 -6.644 191 HA SER 76 HA SER 76 -23.660 2.433 -5.038 192 HG SER 76 HG SER 76 -24.641 4.592 -6.639 193 H ILE 77 H ILE 77 -24.809 0.551 -4.590 194 HA ILE 77 HA ILE 77 -25.586 -1.316 -6.583 195 HB ILE 77 HB ILE 77 -27.050 -2.273 -4.920 196 H SER 78 H SER 78 -28.144 -1.817 -6.548 197 HA SER 78 HA SER 78 -29.393 0.625 -7.602 198 HG SER 78 HG SER 78 -28.405 -2.279 -9.058 199 H ASN 79 H ASN 79 -31.400 1.285 -6.906 200 HA ASN 79 HA ASN 79 -33.134 1.579 -5.469 201 H GLY 80 H GLY 80 -30.372 1.757 -4.524 202 H ARG 81 H ARG 81 -28.495 1.916 -0.605 203 HA ARG 81 HA ARG 81 -26.323 2.858 -2.138 204 HE ARG 81 HE ARG 81 -30.412 5.473 -2.483 205 1HH1 ARG 81 1HH1 ARG 81 -29.325 8.752 -2.038 206 1HH2 ARG 81 1HH2 ARG 81 -31.954 6.353 -3.926 207 H HIS 82 H HIS 82 -24.811 4.159 -0.411 208 HA HIS 82 HA HIS 82 -24.592 2.285 1.829 209 HD1 HIS 82 HD1 HIS 82 -23.056 5.966 0.967 210 HD2 HIS 82 HD2 HIS 82 -21.530 3.121 -1.646 211 HE1 HIS 82 HE1 HIS 82 -22.241 7.258 -1.030 212 HE2 HIS 82 HE2 HIS 82 -21.320 5.516 -2.601 213 H ASN 83 H ASN 83 -23.474 3.271 3.815 214 HA ASN 83 HA ASN 83 -24.943 5.719 4.514 215 H GLY 84 H GLY 84 -22.198 5.394 3.155 216 H TYR 85 H TYR 85 -19.378 7.992 5.723 217 HA TYR 85 HA TYR 85 -21.141 10.331 5.499 218 HD1 TYR 85 HD1 TYR 85 -19.047 7.591 7.985 219 HD2 TYR 85 HD2 TYR 85 -22.698 9.759 8.239 220 HE1 TYR 85 HE1 TYR 85 -20.110 5.660 9.074 221 HE2 TYR 85 HE2 TYR 85 -23.772 7.834 9.331 222 HH TYR 85 HH TYR 85 -22.166 5.373 10.715 223 H GLU 86 H GLU 86 -17.908 9.166 5.120 224 HA GLU 86 HA GLU 86 -16.865 11.842 4.638 225 H ASP 87 H ASP 87 -15.001 11.489 2.730 226 HA ASP 87 HA ASP 87 -16.625 10.868 0.367 227 H PHE 88 H PHE 88 -13.764 9.988 2.080 228 HA PHE 88 HA PHE 88 -13.248 7.912 0.073 229 HD1 PHE 88 HD1 PHE 88 -12.260 11.157 -0.863 230 HD2 PHE 88 HD2 PHE 88 -10.268 7.417 -1.182 231 HE1 PHE 88 HE1 PHE 88 -11.918 11.551 -3.266 232 HE2 PHE 88 HE2 PHE 88 -9.922 7.798 -3.581 233 HZ PHE 88 HZ PHE 88 -10.745 9.869 -4.633 234 H TYR 89 H TYR 89 -11.542 6.308 1.061 235 HA TYR 89 HA TYR 89 -11.890 5.937 3.921 236 HD1 TYR 89 HD1 TYR 89 -14.475 5.732 1.168 237 HD2 TYR 89 HD2 TYR 89 -14.420 4.163 5.121 238 HE1 TYR 89 HE1 TYR 89 -16.743 6.604 1.537 239 HE2 TYR 89 HE2 TYR 89 -16.691 5.029 5.502 240 HH TYR 89 HH TYR 89 -18.148 6.832 4.587 241 H THR 90 H THR 90 -10.430 4.412 4.827 242 HA THR 90 HA THR 90 -8.074 3.997 3.128 243 HB THR 90 HB THR 90 -6.939 3.602 5.384 244 HG1 THR 90 HG1 THR 90 -8.340 3.420 6.939 245 H ASP 91 H ASP 91 -6.717 2.025 3.959 246 HA ASP 91 HA ASP 91 -8.240 -0.300 3.383 247 H GLY 92 H GLY 92 -9.658 -0.900 4.779 248 H SER 93 H SER 93 -11.291 -0.106 5.465 249 HA SER 93 HA SER 93 -12.735 0.870 7.827 250 HG SER 93 HG SER 93 -11.216 3.078 6.345 251 H VAL 94 H VAL 94 -15.132 1.026 7.619 252 HA VAL 94 HA VAL 94 -16.266 -1.091 5.936 253 HB VAL 94 HB VAL 94 -16.801 -0.778 8.892 254 H VAL 95 H VAL 95 -18.572 -0.961 5.669 255 HA VAL 95 HA VAL 95 -19.912 1.488 6.446 256 HB VAL 95 HB VAL 95 -19.631 0.848 3.511 257 H THR 96 H THR 96 -22.172 1.393 6.170 258 HA THR 96 HA THR 96 -23.182 -1.320 5.641 259 HB THR 96 HB THR 96 -25.218 0.074 6.914 260 HG1 THR 96 HG1 THR 96 -22.758 0.678 8.186 261 H TYR 97 H TYR 97 -24.738 -1.636 4.133 262 HA TYR 97 HA TYR 97 -25.365 0.651 2.440 263 HD1 TYR 97 HD1 TYR 97 -22.933 -0.766 2.270 264 HD2 TYR 97 HD2 TYR 97 -25.551 -1.137 -1.063 265 HE1 TYR 97 HE1 TYR 97 -21.072 -0.245 0.764 266 HE2 TYR 97 HE2 TYR 97 -23.686 -0.622 -2.582 267 HH TYR 97 HH TYR 97 -20.827 -0.924 -2.161 268 H SER 98 H SER 98 -27.504 1.023 1.665 269 HA SER 98 HA SER 98 -29.721 -0.190 3.090 270 HG SER 98 HG SER 98 -28.473 2.610 5.243 271 H CYS 99 H CYS 99 -31.683 0.062 2.069 272 HA CYS 99 HA CYS 99 -31.631 0.731 -0.671 273 H ASN 100 H ASN 100 -33.337 2.169 -1.654 274 HA ASN 100 HA ASN 100 -33.248 4.780 -0.321 275 H SER 101 H SER 101 -35.571 3.676 -2.726 276 HA SER 101 HA SER 101 -37.777 4.904 -1.600 277 HG SER 101 HG SER 101 -39.817 3.261 -2.245 278 H GLY 102 H GLY 102 -36.463 1.694 -0.969 279 H TYR 103 H TYR 103 -35.780 -0.200 -0.603 280 HA TYR 103 HA TYR 103 -37.267 -2.594 -1.219 281 HD1 TYR 103 HD1 TYR 103 -36.398 0.066 -3.116 282 HD2 TYR 103 HD2 TYR 103 -35.816 -4.048 -4.032 283 HE1 TYR 103 HE1 TYR 103 -37.514 0.397 -5.283 284 HE2 TYR 103 HE2 TYR 103 -36.934 -3.731 -6.198 285 HH TYR 103 HH TYR 103 -38.676 -2.043 -7.143 286 H SER 104 H SER 104 -35.442 -4.601 -1.073 287 HA SER 104 HA SER 104 -34.838 -4.771 1.806 288 HG SER 104 HG SER 104 -37.472 -6.671 0.199 289 H LEU 105 H LEU 105 -32.693 -4.344 1.915 290 HA LEU 105 HA LEU 105 -30.746 -4.752 0.067 291 HG LEU 105 HG LEU 105 -28.760 -4.131 0.566 292 H ILE 106 H ILE 106 -29.503 -6.322 -0.592 293 HA ILE 106 HA ILE 106 -30.152 -9.043 0.279 294 HB ILE 106 HB ILE 106 -28.864 -8.052 -2.261 295 H GLY 107 H GLY 107 -28.370 -10.594 0.400 296 H ASN 108 H ASN 108 -24.490 -8.709 1.769 297 HA ASN 108 HA ASN 108 -25.558 -8.285 4.482 298 H SER 109 H SER 109 -25.744 -6.240 5.143 299 HA SER 109 HA SER 109 -25.447 -4.086 3.363 300 HG SER 109 HG SER 109 -25.611 -4.007 7.278 301 H GLY 110 H GLY 110 -23.304 -5.533 5.659 302 H VAL 111 H VAL 111 -19.621 -2.876 4.924 303 HA VAL 111 HA VAL 111 -18.684 -4.612 2.764 304 HB VAL 111 HB VAL 111 -18.823 -1.666 2.313 305 H LEU 112 H LEU 112 -16.534 -4.888 2.889 306 HA LEU 112 HA LEU 112 -15.048 -3.245 4.768 307 HG LEU 112 HG LEU 112 -12.278 -4.535 3.533 308 H CYS 113 H CYS 113 -13.843 -1.581 4.201 309 HA CYS 113 HA CYS 113 -13.178 -1.115 1.413 310 H SER 114 H SER 114 -11.552 -2.424 0.777 311 HA SER 114 HA SER 114 -8.983 -2.136 2.114 312 HG SER 114 HG SER 114 -8.154 -3.958 3.469 313 H GLY 115 H GLY 115 -7.223 -3.238 0.865 314 H GLY 116 H GLY 116 -7.920 -0.907 -0.700 315 H GLU 117 H GLU 117 -10.057 -1.498 -1.841 316 HA GLU 117 HA GLU 117 -12.087 -0.436 -3.609 317 H TRP 118 H TRP 118 -14.096 -2.073 -3.380 318 HA TRP 118 HA TRP 118 -14.377 -2.547 -0.493 319 HD1 TRP 118 HD1 TRP 118 -15.203 0.567 -2.995 320 HE1 TRP 118 HE1 TRP 118 -15.009 2.687 -1.553 321 HE3 TRP 118 HE3 TRP 118 -16.625 -1.381 1.513 322 HZ2 TRP 118 HZ2 TRP 118 -15.415 3.435 1.131 323 HZ3 TRP 118 HZ3 TRP 118 -16.696 0.107 3.470 324 HH2 TRP 118 HH2 TRP 118 -16.102 2.470 3.281 325 H SER 119 H SER 119 -15.133 -4.479 0.232 326 HA SER 119 HA SER 119 -15.719 -6.515 -1.815 327 HG SER 119 HG SER 119 -12.693 -6.261 -0.110 328 H ASP 120 H ASP 120 -17.299 -8.029 -1.384 329 HA ASP 120 HA ASP 120 -19.185 -8.922 -0.499 330 HA PRO 121 HA PRO 121 -21.246 -4.665 -0.696 331 HA PRO 122 HA PRO 122 -24.914 -7.165 -1.140 332 H THR 123 H THR 123 -27.273 -6.737 -1.663 333 HA THR 123 HA THR 123 -27.533 -4.869 -3.935 334 HB THR 123 HB THR 123 -29.364 -7.093 -4.125 335 HG1 THR 123 HG1 THR 123 -26.603 -7.730 -4.052 336 H CYS 124 H CYS 124 -30.282 -5.386 -4.305 337 HA CYS 124 HA CYS 124 -31.636 -5.008 -1.843 338 H GLN 125 H GLN 125 -33.038 -6.450 -2.664 339 HA GLN 125 HA GLN 125 -34.704 -5.549 -4.915 340 H ILE 126 H ILE 126 -36.891 -6.799 -4.809 341 HA ILE 126 HA ILE 126 -38.048 -6.145 -2.216 342 HB ILE 126 HB ILE 126 -39.350 -6.818 -4.853 No H/Q in entry = 342 Start of MODEL 12 1 H ARG 7 H ARG 7 -34.668 -3.239 -1.211 2 HA ARG 7 HA ARG 7 -33.239 -5.239 -2.777 3 HE ARG 7 HE ARG 7 -37.109 -4.035 -6.057 4 1HH1 ARG 7 1HH1 ARG 7 -33.678 -3.547 -6.403 5 1HH2 ARG 7 1HH2 ARG 7 -37.290 -3.096 -8.129 6 H ARG 8 H ARG 8 -30.999 -4.985 -3.324 7 HA ARG 8 HA ARG 8 -29.352 -4.460 -1.088 8 HE ARG 8 HE ARG 8 -26.691 -4.654 -6.376 9 1HH1 ARG 8 1HH1 ARG 8 -28.610 -7.493 -7.013 10 1HH2 ARG 8 1HH2 ARG 8 -25.882 -4.924 -8.492 11 H CYS 9 H CYS 9 -27.157 -3.168 -1.875 12 HA CYS 9 HA CYS 9 -28.011 -0.398 -1.907 13 HA PRO 10 HA PRO 10 -26.813 0.245 -6.140 14 H SER 11 H SER 11 -24.860 1.583 -7.440 15 HA SER 11 HA SER 11 -22.690 -0.185 -7.402 16 HG SER 11 HG SER 11 -21.462 0.251 -9.515 17 HA PRO 12 HA PRO 12 -20.841 1.501 -3.629 18 H ARG 13 H ARG 13 -19.141 2.902 -3.207 19 HA ARG 13 HA ARG 13 -18.168 4.427 -5.352 20 HE ARG 13 HE ARG 13 -18.640 8.599 -2.914 21 1HH1 ARG 13 1HH1 ARG 13 -15.187 8.760 -2.483 22 1HH2 ARG 13 1HH2 ARG 13 -18.625 10.856 -2.590 23 H ASP 14 H ASP 14 -15.700 4.863 -5.538 24 HA ASP 14 HA ASP 14 -14.313 2.274 -5.610 25 H ILE 15 H ILE 15 -11.909 2.965 -6.519 26 HA ILE 15 HA ILE 15 -10.866 5.225 -5.005 27 HB ILE 15 HB ILE 15 -10.899 3.454 -3.349 28 H ASP 16 H ASP 16 -8.812 5.889 -5.691 29 HA ASP 16 HA ASP 16 -7.989 4.826 -8.273 30 H ASN 17 H ASN 17 -5.770 4.227 -8.657 31 HA ASN 17 HA ASN 17 -4.039 2.795 -8.193 32 H GLY 18 H GLY 18 -6.713 2.134 -7.080 33 H GLN 19 H GLN 19 -7.668 -1.389 -4.595 34 HA GLN 19 HA GLN 19 -9.580 -1.662 -6.798 35 H LEU 20 H LEU 20 -11.550 -2.411 -6.214 36 HA LEU 20 HA LEU 20 -12.108 -2.603 -3.390 37 HG LEU 20 HG LEU 20 -14.346 -1.218 -3.164 38 H ASP 21 H ASP 21 -13.278 -4.346 -2.438 39 HA ASP 21 HA ASP 21 -13.016 -6.918 -3.848 40 H ILE 22 H ILE 22 -15.257 -6.231 -4.407 41 HA ILE 22 HA ILE 22 -17.243 -6.049 -2.397 42 HB ILE 22 HB ILE 22 -17.942 -6.854 -5.187 43 H GLY 23 H GLY 23 -17.299 -7.772 -1.049 44 H GLY 24 H GLY 24 -19.679 -8.101 -2.164 45 H VAL 25 H VAL 25 -23.715 -7.946 -2.574 46 HA VAL 25 HA VAL 25 -23.156 -5.108 -2.033 47 HB VAL 25 HB VAL 25 -24.817 -4.724 -3.948 48 H ASP 26 H ASP 26 -25.273 -7.652 -1.264 49 HA ASP 26 HA ASP 26 -27.688 -6.196 -0.954 50 H PHE 27 H PHE 27 -28.794 -5.756 1.086 51 HA PHE 27 HA PHE 27 -27.426 -4.033 2.759 52 HD1 PHE 27 HD1 PHE 27 -29.571 -6.382 5.472 53 HD2 PHE 27 HD2 PHE 27 -29.354 -2.254 4.460 54 HE1 PHE 27 HE1 PHE 27 -29.717 -5.793 7.856 55 HE2 PHE 27 HE2 PHE 27 -29.500 -1.659 6.843 56 HZ PHE 27 HZ PHE 27 -29.681 -3.429 8.543 57 H GLY 28 H GLY 28 -26.016 -4.280 4.349 58 H SER 29 H SER 29 -24.760 -6.014 2.997 59 HA SER 29 HA SER 29 -22.633 -7.883 3.150 60 HG SER 29 HG SER 29 -24.823 -7.646 1.466 61 H SER 30 H SER 30 -20.474 -6.912 1.867 62 HA SER 30 HA SER 30 -19.623 -4.400 2.944 63 HG SER 30 HG SER 30 -17.958 -7.614 3.574 64 H ILE 31 H ILE 31 -17.726 -3.645 2.088 65 HA ILE 31 HA ILE 31 -16.495 -5.314 -0.009 66 HB ILE 31 HB ILE 31 -16.145 -2.433 -0.363 67 H THR 32 H THR 32 -14.216 -5.049 -0.318 68 HA THR 32 HA THR 32 -12.885 -3.846 2.016 69 HB THR 32 HB THR 32 -11.703 -6.062 0.359 70 HG1 THR 32 HG1 THR 32 -13.714 -6.770 1.198 71 H TYR 33 H TYR 33 -11.880 -2.043 1.542 72 HA TYR 33 HA TYR 33 -11.073 -1.437 -1.140 73 HD1 TYR 33 HD1 TYR 33 -13.360 -0.881 -0.468 74 HD2 TYR 33 HD2 TYR 33 -10.832 2.489 -0.761 75 HE1 TYR 33 HE1 TYR 33 -15.012 0.190 -1.943 76 HE2 TYR 33 HE2 TYR 33 -12.451 3.606 -2.223 77 HH TYR 33 HH TYR 33 -14.728 3.518 -2.860 78 H SER 34 H SER 34 -9.117 -1.379 -2.000 79 HA SER 34 HA SER 34 -6.777 -1.839 -0.314 80 HG SER 34 HG SER 34 -6.539 -4.558 -3.151 81 H CYS 35 H CYS 35 -4.774 -2.142 -1.825 82 HA CYS 35 HA CYS 35 -4.756 0.167 -3.593 83 H ASN 36 H ASN 36 -3.262 -0.005 -5.533 84 HA ASN 36 HA ASN 36 -4.251 -2.110 -7.230 85 H SER 37 H SER 37 -0.916 -0.927 -7.059 86 HA SER 37 HA SER 37 0.103 -3.531 -6.339 87 HG SER 37 HG SER 37 0.544 -4.849 -9.407 88 H GLY 38 H GLY 38 2.079 -3.413 -5.383 89 H TYR 39 H TYR 39 1.126 -1.379 -3.878 90 HA TYR 39 HA TYR 39 1.822 1.352 -3.011 91 HD1 TYR 39 HD1 TYR 39 1.876 1.443 -5.553 92 HD2 TYR 39 HD2 TYR 39 -1.606 3.349 -4.028 93 HE1 TYR 39 HE1 TYR 39 2.304 3.378 -7.011 94 HE2 TYR 39 HE2 TYR 39 -1.190 5.289 -5.479 95 HH TYR 39 HH TYR 39 1.721 5.837 -7.026 96 H HIS 40 H HIS 40 0.560 2.110 -1.119 97 HA HIS 40 HA HIS 40 -0.233 -0.072 0.658 98 HD1 HIS 40 HD1 HIS 40 0.747 2.385 4.100 99 HD2 HIS 40 HD2 HIS 40 1.938 3.892 0.417 100 HE1 HIS 40 HE1 HIS 40 1.085 4.850 4.460 101 HE2 HIS 40 HE2 HIS 40 1.806 5.743 2.216 102 H LEU 41 H LEU 41 -2.063 0.280 1.766 103 HA LEU 41 HA LEU 41 -3.679 2.460 0.840 104 HG LEU 41 HG LEU 41 -5.968 2.363 1.610 105 H ILE 42 H ILE 42 -4.456 4.166 1.961 106 HA ILE 42 HA ILE 42 -3.549 4.423 4.751 107 HB ILE 42 HB ILE 42 -4.283 6.933 3.450 108 H GLY 43 H GLY 43 -4.985 4.552 6.209 109 H GLU 44 H GLU 44 -9.518 4.401 6.091 110 HA GLU 44 HA GLU 44 -9.621 2.015 7.586 111 H SER 45 H SER 45 -11.185 0.723 5.215 112 HA SER 45 HA SER 45 -9.733 0.064 3.061 113 HG SER 45 HG SER 45 -10.012 -1.833 5.996 114 H LYS 46 H LYS 46 -12.514 0.152 4.387 115 HA LYS 46 HA LYS 46 -13.580 -2.073 2.886 116 H SER 47 H SER 47 -15.764 -1.941 2.465 117 HA SER 47 HA SER 47 -17.215 0.368 3.577 118 HG SER 47 HG SER 47 -18.508 1.674 1.117 119 H TYR 48 H TYR 48 -19.523 0.069 3.927 120 HA TYR 48 HA TYR 48 -20.277 -2.782 3.806 121 HD1 TYR 48 HD1 TYR 48 -18.434 -3.707 5.308 122 HD2 TYR 48 HD2 TYR 48 -19.400 -0.205 7.497 123 HE1 TYR 48 HE1 TYR 48 -16.148 -3.644 6.208 124 HE2 TYR 48 HE2 TYR 48 -17.123 -0.112 8.392 125 HH TYR 48 HH TYR 48 -14.966 -0.925 8.035 126 H CYS 49 H CYS 49 -22.025 -3.122 2.791 127 HA CYS 49 HA CYS 49 -23.822 -1.101 1.991 128 H GLU 50 H GLU 50 -25.352 -0.160 3.126 129 HA GLU 50 HA GLU 50 -27.117 -1.672 4.797 130 H LEU 51 H LEU 51 -28.684 -0.211 5.883 131 HA LEU 51 HA LEU 51 -29.811 1.516 3.899 132 HG LEU 51 HG LEU 51 -29.744 0.804 7.430 133 H GLY 52 H GLY 52 -30.447 3.725 4.237 134 H SER 53 H SER 53 -30.834 7.229 5.835 135 HA SER 53 HA SER 53 -31.171 6.535 8.677 136 HG SER 53 HG SER 53 -31.257 9.937 9.607 137 H THR 54 H THR 54 -32.793 7.544 5.740 138 HA THR 54 HA THR 54 -35.383 7.519 7.105 139 HB THR 54 HB THR 54 -36.273 8.435 4.995 140 HG1 THR 54 HG1 THR 54 -34.913 8.863 3.298 141 H GLY 55 H GLY 55 -33.911 5.061 6.719 142 H SER 56 H SER 56 -33.227 4.908 4.264 143 HA SER 56 HA SER 56 -33.849 3.702 1.702 144 HG SER 56 HG SER 56 -33.692 5.664 0.210 145 H MET 57 H MET 57 -31.277 3.821 0.545 146 HA MET 57 HA MET 57 -29.854 1.703 1.979 147 H VAL 58 H VAL 58 -27.631 1.775 1.940 148 HA VAL 58 HA VAL 58 -26.226 3.666 0.286 149 HB VAL 58 HB VAL 58 -25.224 4.848 2.288 150 H TRP 59 H TRP 59 -23.848 3.859 1.340 151 HA TRP 59 HA TRP 59 -23.052 1.141 2.146 152 HD1 TRP 59 HD1 TRP 59 -23.653 2.112 -1.749 153 HE1 TRP 59 HE1 TRP 59 -23.978 -0.131 -2.955 154 HE3 TRP 59 HE3 TRP 59 -20.714 -0.842 1.222 155 HZ2 TRP 59 HZ2 TRP 59 -23.115 -2.814 -2.673 156 HZ3 TRP 59 HZ3 TRP 59 -20.522 -3.234 0.686 157 HH2 TRP 59 HH2 TRP 59 -21.686 -4.191 -1.213 158 H ASN 60 H ASN 60 -21.604 0.994 3.764 159 HA ASN 60 HA ASN 60 -20.946 3.312 5.325 160 HA PRO 61 HA PRO 61 -16.909 4.914 4.524 161 H GLU 62 H GLU 62 -16.375 5.292 2.579 162 HA GLU 62 HA GLU 62 -16.812 3.328 0.510 163 H ALA 63 H ALA 63 -14.289 5.748 1.104 164 HA ALA 63 HA ALA 63 -12.398 4.494 -0.538 165 HA PRO 64 HA PRO 64 -10.120 5.795 2.007 166 H ILE 65 H ILE 65 -7.383 5.880 1.488 167 HA ILE 65 HA ILE 65 -7.396 5.837 -1.443 168 HB ILE 65 HB ILE 65 -5.194 7.235 -0.085 169 H CYS 66 H CYS 66 -4.711 5.981 -1.995 170 HA CYS 66 HA CYS 66 -3.238 3.915 -0.670 171 H GLU 67 H GLU 67 -1.096 4.096 -1.060 172 HA GLU 67 HA GLU 67 -0.195 5.625 -3.390 173 H SER 68 H SER 68 1.952 5.248 -4.020 174 HA SER 68 HA SER 68 2.932 2.696 -3.879 175 HG SER 68 HG SER 68 5.927 3.594 -5.265 176 H VAL 69 H VAL 69 4.281 1.557 -2.612 177 HA VAL 69 HA VAL 69 4.536 2.254 0.107 178 HB VAL 69 HB VAL 69 6.187 0.245 0.107 179 H LYS 70 H LYS 70 5.780 3.841 0.745 180 HA LYS 70 HA LYS 70 8.203 4.597 -0.575 181 H CYS 71 H CYS 71 10.213 3.946 -0.200 182 HA CYS 71 HA CYS 71 10.766 2.355 2.212 183 H GLN 72 H GLN 72 11.866 3.368 3.737 184 HA GLN 72 HA GLN 72 13.026 5.913 3.305 185 H SER 73 H SER 73 15.390 5.637 4.950 186 HA SER 73 HA SER 73 17.341 5.424 3.051 187 HG SER 73 HG SER 73 19.255 4.246 6.025 188 HA PRO 74 HA PRO 74 17.688 1.136 2.000 189 HA PRO 75 HA PRO 75 18.999 -1.251 5.441 190 H SER 76 H SER 76 20.718 -1.535 6.866 191 HA SER 76 HA SER 76 23.097 0.070 6.223 192 HG SER 76 HG SER 76 24.222 0.663 8.684 193 H ILE 77 H ILE 77 24.326 -1.519 5.244 194 HA ILE 77 HA ILE 77 24.712 -4.105 6.332 195 HB ILE 77 HB ILE 77 26.537 -4.343 4.742 196 H SER 78 H SER 78 26.916 -4.931 6.929 197 HA SER 78 HA SER 78 27.933 -3.299 9.096 198 HG SER 78 HG SER 78 28.741 -6.151 7.206 199 H ASN 79 H ASN 79 29.945 -2.426 9.256 200 HA ASN 79 HA ASN 79 31.886 -1.486 8.563 201 H GLY 80 H GLY 80 29.401 -0.972 7.052 202 H ARG 81 H ARG 81 28.414 0.869 3.274 203 HA ARG 81 HA ARG 81 26.100 1.593 4.719 204 HE ARG 81 HE ARG 81 29.280 6.915 4.567 205 1HH1 ARG 81 1HH1 ARG 81 31.199 4.010 4.516 206 2HH2 ARG 81 2HH2 ARG 81 32.375 6.923 2.980 207 H HIS 82 H HIS 82 24.978 3.515 3.305 208 HA HIS 82 HA HIS 82 25.047 2.482 0.549 209 HD1 HIS 82 HD1 HIS 82 23.385 5.802 2.034 210 HD2 HIS 82 HD2 HIS 82 21.384 2.572 3.709 211 HE1 HIS 82 HE1 HIS 82 22.186 6.723 4.042 212 HE2 HIS 82 HE2 HIS 82 20.980 4.750 5.042 213 H ASN 83 H ASN 83 24.254 4.046 -1.120 214 HA ASN 83 HA ASN 83 25.597 6.633 -0.767 215 H GLY 84 H GLY 84 22.806 5.760 0.183 216 H TYR 85 H TYR 85 20.089 8.564 -2.090 217 HA TYR 85 HA TYR 85 21.623 10.979 -1.468 218 HD1 TYR 85 HD1 TYR 85 20.337 8.189 -4.079 219 HD2 TYR 85 HD2 TYR 85 23.203 11.323 -4.306 220 HE1 TYR 85 HE1 TYR 85 21.884 6.679 -5.249 221 HE2 TYR 85 HE2 TYR 85 24.760 9.822 -5.481 222 HH TYR 85 HH TYR 85 24.060 7.288 -7.025 223 H GLU 86 H GLU 86 18.341 9.780 -1.692 224 HA GLU 86 HA GLU 86 17.330 12.305 -0.677 225 H ASP 87 H ASP 87 15.306 11.875 0.817 226 HA ASP 87 HA ASP 87 16.358 10.485 3.153 227 H PHE 88 H PHE 88 13.938 10.196 0.719 228 HA PHE 88 HA PHE 88 13.076 7.663 1.903 229 HD1 PHE 88 HD1 PHE 88 11.954 10.421 3.656 230 HD2 PHE 88 HD2 PHE 88 9.882 6.957 2.328 231 HE1 PHE 88 HE1 PHE 88 11.178 10.011 5.953 232 HE2 PHE 88 HE2 PHE 88 9.101 6.537 4.612 233 HZ PHE 88 HZ PHE 88 9.746 8.064 6.438 234 H TYR 89 H TYR 89 11.950 6.263 0.311 235 HA TYR 89 HA TYR 89 12.623 6.829 -2.478 236 HD1 TYR 89 HD1 TYR 89 14.501 5.972 0.640 237 HD2 TYR 89 HD2 TYR 89 15.755 5.512 -3.397 238 HE1 TYR 89 HE1 TYR 89 16.687 6.936 1.218 239 HE2 TYR 89 HE2 TYR 89 17.954 6.467 -2.828 240 HH TYR 89 HH TYR 89 18.588 7.847 0.336 241 H THR 90 H THR 90 11.752 4.943 -3.901 242 HA THR 90 HA THR 90 9.439 3.590 -2.793 243 HB THR 90 HB THR 90 7.975 4.598 -4.639 244 HG1 THR 90 HG1 THR 90 8.663 6.356 -5.638 245 H ASP 91 H ASP 91 8.134 2.694 -4.894 246 HA ASP 91 HA ASP 91 9.730 0.684 -5.960 247 H GLY 92 H GLY 92 11.514 1.308 -6.963 248 H SER 93 H SER 93 13.010 2.411 -6.526 249 HA SER 93 HA SER 93 14.940 4.423 -7.456 250 HG SER 93 HG SER 93 12.611 4.966 -5.741 251 H VAL 94 H VAL 94 17.161 4.186 -6.978 252 HA VAL 94 HA VAL 94 18.066 1.609 -5.990 253 HB VAL 94 HB VAL 94 18.654 2.568 -8.786 254 H VAL 95 H VAL 95 19.863 1.799 -4.820 255 HA VAL 95 HA VAL 95 21.543 4.151 -5.189 256 HB VAL 95 HB VAL 95 21.590 4.613 -2.930 257 H THR 96 H THR 96 23.742 3.898 -4.666 258 HA THR 96 HA THR 96 24.654 1.134 -4.830 259 HB THR 96 HB THR 96 26.916 2.702 -4.852 260 HG1 THR 96 HG1 THR 96 24.962 4.111 -6.331 261 H TYR 97 H TYR 97 26.140 0.232 -3.372 262 HA TYR 97 HA TYR 97 26.139 1.534 -0.747 263 HD1 TYR 97 HD1 TYR 97 23.840 0.705 -1.541 264 HD2 TYR 97 HD2 TYR 97 25.462 -1.770 1.518 265 HE1 TYR 97 HE1 TYR 97 21.702 0.774 -0.367 266 HE2 TYR 97 HE2 TYR 97 23.313 -1.707 2.709 267 HH TYR 97 HH TYR 97 21.132 -1.122 2.563 268 H SER 98 H SER 98 28.051 1.230 0.602 269 HA SER 98 HA SER 98 30.536 0.568 -0.728 270 HG SER 98 HG SER 98 30.819 2.714 -2.393 271 H CYS 99 H CYS 99 32.315 0.369 0.683 272 HA CYS 99 HA CYS 99 31.577 -0.289 3.376 273 H ASN 100 H ASN 100 32.809 0.470 5.270 274 HA ASN 100 HA ASN 100 33.042 3.365 5.181 275 H SER 101 H SER 101 34.929 0.918 6.965 276 HA SER 101 HA SER 101 37.226 2.536 7.144 277 HG SER 101 HG SER 101 37.405 1.113 9.645 278 H GLY 102 H GLY 102 36.049 0.520 4.619 279 H TYR 103 H TYR 103 35.821 -1.228 3.816 280 HA TYR 103 HA TYR 103 37.238 -3.624 3.270 281 HD1 TYR 103 HD1 TYR 103 35.292 -2.163 6.141 282 HD2 TYR 103 HD2 TYR 103 36.053 -6.103 4.723 283 HE1 TYR 103 HE1 TYR 103 36.004 -2.832 8.398 284 HE2 TYR 103 HE2 TYR 103 36.767 -6.782 6.975 285 HH TYR 103 HH TYR 103 37.546 -5.858 9.017 286 H SER 104 H SER 104 35.668 -5.269 1.876 287 HA SER 104 HA SER 104 35.658 -4.071 -0.805 288 HG SER 104 HG SER 104 38.096 -6.535 -0.522 289 H LEU 105 H LEU 105 33.645 -3.382 -1.209 290 HA LEU 105 HA LEU 105 31.237 -4.159 -0.264 291 HG LEU 105 HG LEU 105 30.034 -1.558 -2.417 292 H ILE 106 H ILE 106 30.360 -6.078 -0.077 293 HA ILE 106 HA ILE 106 31.043 -8.216 -1.908 294 HB ILE 106 HB ILE 106 29.281 -8.208 0.534 295 H GLY 107 H GLY 107 29.425 -9.504 -2.961 296 H ASN 108 H ASN 108 25.617 -7.305 -4.105 297 HA ASN 108 HA ASN 108 26.996 -5.666 -6.113 298 H SER 109 H SER 109 27.159 -3.533 -5.852 299 HA SER 109 HA SER 109 26.612 -2.357 -3.309 300 HG SER 109 HG SER 109 27.882 0.695 -5.025 301 H GLY 110 H GLY 110 24.997 -2.467 -6.382 302 H VAL 111 H VAL 111 21.222 -0.278 -4.994 303 HA VAL 111 HA VAL 111 20.052 -2.829 -4.108 304 HB VAL 111 HB VAL 111 19.883 -0.305 -2.506 305 H LEU 112 H LEU 112 18.089 -3.105 -4.983 306 HA LEU 112 HA LEU 112 16.758 -0.890 -6.249 307 HG LEU 112 HG LEU 112 14.392 -3.341 -7.824 308 H CYS 113 H CYS 113 15.065 0.252 -5.553 309 HA CYS 113 HA CYS 113 13.928 -0.453 -2.940 310 H SER 114 H SER 114 12.154 -1.663 -3.257 311 HA SER 114 HA SER 114 9.879 -0.560 -4.541 312 HG SER 114 HG SER 114 8.950 -2.273 -6.993 313 H GLY 115 H GLY 115 8.231 -1.167 -3.345 314 H GLY 116 H GLY 116 8.304 -0.602 -1.327 315 H GLU 117 H GLU 117 10.271 -1.951 -0.261 316 HA GLU 117 HA GLU 117 12.011 -1.732 2.050 317 H TRP 118 H TRP 118 14.090 -3.176 1.430 318 HA TRP 118 HA TRP 118 14.824 -2.360 -1.301 319 HD1 TRP 118 HD1 TRP 118 15.079 -0.476 2.304 320 HE1 TRP 118 HE1 TRP 118 15.072 2.047 1.793 321 HE3 TRP 118 HE3 TRP 118 17.346 -0.576 -2.269 322 HZ2 TRP 118 HZ2 TRP 118 15.940 3.764 -0.275 323 HZ3 TRP 118 HZ3 TRP 118 17.724 1.549 -3.445 324 HH2 TRP 118 HH2 TRP 118 17.040 3.671 -2.471 325 H SER 119 H SER 119 16.210 -3.730 -2.492 326 HA SER 119 HA SER 119 16.549 -6.441 -1.421 327 HG SER 119 HG SER 119 13.768 -5.863 -3.931 328 H ASP 120 H ASP 120 18.216 -7.684 -2.444 329 HA ASP 120 HA ASP 120 20.258 -8.030 -3.390 330 HA PRO 121 HA PRO 121 21.992 -4.501 -0.693 331 HA PRO 122 HA PRO 122 25.725 -6.974 -0.795 332 H THR 123 H THR 123 27.997 -6.645 0.308 333 HA THR 123 HA THR 123 27.642 -6.090 3.172 334 HB THR 123 HB THR 123 29.459 -8.323 2.579 335 HG1 THR 123 HG1 THR 123 26.662 -8.666 2.267 336 H CYS 124 H CYS 124 30.249 -6.807 3.941 337 HA CYS 124 HA CYS 124 32.071 -5.384 2.201 338 H GLN 125 H GLN 125 33.266 -7.222 2.092 339 HA GLN 125 HA GLN 125 34.579 -8.066 4.585 340 H ILE 126 H ILE 126 36.779 -8.969 4.225 341 HA ILE 126 HA ILE 126 38.246 -7.205 2.419 342 HB ILE 126 HB ILE 126 39.271 -9.014 4.608 No H/Q in entry = 342 Start of MODEL 13 1 H ARG 7 H ARG 7 -33.370 4.360 1.459 2 HA ARG 7 HA ARG 7 -32.562 2.463 3.564 3 HE ARG 7 HE ARG 7 -33.170 0.249 3.838 4 1HH1 ARG 7 1HH1 ARG 7 -35.902 -1.900 4.018 5 1HH2 ARG 7 1HH2 ARG 7 -32.272 -1.009 5.518 6 H ARG 8 H ARG 8 -30.448 2.185 3.753 7 HA ARG 8 HA ARG 8 -28.637 3.382 1.858 8 HE ARG 8 HE ARG 8 -28.546 2.075 6.919 9 1HH1 ARG 8 1HH1 ARG 8 -25.809 4.117 7.605 10 1HH2 ARG 8 1HH2 ARG 8 -28.075 1.050 8.903 11 H CYS 9 H CYS 9 -26.478 1.734 1.840 12 HA CYS 9 HA CYS 9 -27.349 -0.343 0.004 13 HA PRO 10 HA PRO 10 -26.713 -3.776 2.688 14 H SER 11 H SER 11 -25.039 -5.271 3.606 15 HA SER 11 HA SER 11 -22.886 -3.874 4.624 16 HG SER 11 HG SER 11 -21.686 -6.968 5.998 17 HA PRO 12 HA PRO 12 -20.389 -3.623 0.845 18 H ARG 13 H ARG 13 -18.615 -4.783 0.026 19 HA ARG 13 HA ARG 13 -18.180 -7.340 1.207 20 HE ARG 13 HE ARG 13 -17.979 -10.598 -2.806 21 1HH1 ARG 13 1HH1 ARG 13 -17.881 -7.344 -4.058 22 1HH2 ARG 13 1HH2 ARG 13 -19.237 -11.093 -4.640 23 H ASP 14 H ASP 14 -16.013 -8.196 1.687 24 HA ASP 14 HA ASP 14 -14.506 -6.195 3.175 25 H ILE 15 H ILE 15 -12.220 -7.185 3.725 26 HA ILE 15 HA ILE 15 -10.971 -8.165 1.250 27 HB ILE 15 HB ILE 15 -10.568 -5.776 1.308 28 H ASP 16 H ASP 16 -9.006 -9.336 1.558 29 HA ASP 16 HA ASP 16 -9.026 -10.848 3.996 30 H ASN 17 H ASN 17 -6.383 -9.139 2.317 31 HA ASN 17 HA ASN 17 -4.925 -9.010 4.844 32 H GLY 18 H GLY 18 -7.285 -7.348 4.391 33 H GLN 19 H GLN 19 -7.883 -3.083 5.315 34 HA GLN 19 HA GLN 19 -10.196 -4.262 6.661 35 H LEU 20 H LEU 20 -12.043 -3.105 6.330 36 HA LEU 20 HA LEU 20 -11.911 -0.919 4.474 37 HG LEU 20 HG LEU 20 -13.737 -3.882 5.327 38 H ASP 21 H ASP 21 -13.142 1.072 4.784 39 HA ASP 21 HA ASP 21 -13.230 2.011 7.566 40 H ILE 22 H ILE 22 -15.503 1.483 7.265 41 HA ILE 22 HA ILE 22 -17.074 2.723 5.266 42 HB ILE 22 HB ILE 22 -17.979 1.561 7.898 43 H GLY 23 H GLY 23 -17.158 4.855 5.117 44 H GLY 24 H GLY 24 -19.580 4.865 5.669 45 H VAL 25 H VAL 25 -23.409 4.844 5.009 46 HA VAL 25 HA VAL 25 -22.653 3.046 2.803 47 HB VAL 25 HB VAL 25 -24.417 1.487 3.941 48 H ASP 26 H ASP 26 -24.628 5.574 3.477 49 HA ASP 26 HA ASP 26 -27.092 4.637 2.371 50 H PHE 27 H PHE 27 -28.052 5.557 0.394 51 HA PHE 27 HA PHE 27 -26.596 4.939 -1.875 52 HD1 PHE 27 HD1 PHE 27 -26.804 4.859 -3.913 53 HD2 PHE 27 HD2 PHE 27 -30.042 7.598 -3.552 54 HE1 PHE 27 HE1 PHE 27 -26.751 5.237 -6.346 55 HE2 PHE 27 HE2 PHE 27 -29.993 7.982 -5.981 56 HZ PHE 27 HZ PHE 27 -28.346 6.802 -7.381 57 H GLY 28 H GLY 28 -24.715 5.846 -2.382 58 H SER 29 H SER 29 -23.534 6.408 -0.603 59 HA SER 29 HA SER 29 -21.521 8.133 0.494 60 HG SER 29 HG SER 29 -21.340 4.580 1.119 61 H SER 30 H SER 30 -19.437 6.844 1.302 62 HA SER 30 HA SER 30 -18.362 5.116 -0.769 63 HG SER 30 HG SER 30 -17.032 8.117 0.782 64 H ILE 31 H ILE 31 -16.673 3.835 -0.088 65 HA ILE 31 HA ILE 31 -16.045 4.010 2.786 66 HB ILE 31 HB ILE 31 -15.435 1.483 1.384 67 H THR 32 H THR 32 -13.861 2.950 3.320 68 HA THR 32 HA THR 32 -11.887 3.608 1.244 69 HB THR 32 HB THR 32 -10.904 4.064 3.944 70 HG1 THR 32 HG1 THR 32 -12.131 5.895 4.356 71 H TYR 33 H TYR 33 -10.885 1.815 0.692 72 HA TYR 33 HA TYR 33 -10.616 -0.378 2.577 73 HD1 TYR 33 HD1 TYR 33 -12.778 0.121 -0.016 74 HD2 TYR 33 HD2 TYR 33 -10.492 -3.354 0.871 75 HE1 TYR 33 HE1 TYR 33 -14.822 -1.244 -0.104 76 HE2 TYR 33 HE2 TYR 33 -12.531 -4.728 0.778 77 HH TYR 33 HH TYR 33 -14.710 -4.741 0.072 78 H SER 34 H SER 34 -8.736 -1.155 3.411 79 HA SER 34 HA SER 34 -6.205 0.068 2.623 80 HG SER 34 HG SER 34 -7.598 2.254 4.595 81 H CYS 35 H CYS 35 -4.333 -1.093 3.462 82 HA CYS 35 HA CYS 35 -4.846 -3.929 3.574 83 H ASN 36 H ASN 36 -3.536 -5.247 5.217 84 HA ASN 36 HA ASN 36 -4.475 -4.574 7.812 85 H SER 37 H SER 37 -1.114 -5.391 7.020 86 HA SER 37 HA SER 37 -0.098 -2.920 8.073 87 HG SER 37 HG SER 37 1.758 -3.485 10.446 88 H GLY 38 H GLY 38 1.957 -2.517 7.382 89 H TYR 39 H TYR 39 1.141 -3.322 4.946 90 HA TYR 39 HA TYR 39 2.004 -4.971 2.661 91 HD1 TYR 39 HD1 TYR 39 1.960 -6.433 4.524 92 HD2 TYR 39 HD2 TYR 39 -1.586 -7.126 2.282 93 HE1 TYR 39 HE1 TYR 39 2.309 -8.851 4.738 94 HE2 TYR 39 HE2 TYR 39 -1.248 -9.553 2.488 95 HH TYR 39 HH TYR 39 1.182 -11.039 2.957 96 H HIS 40 H HIS 40 0.709 -4.399 0.619 97 HA HIS 40 HA HIS 40 0.277 -1.508 0.432 98 HD1 HIS 40 HD1 HIS 40 2.342 -2.056 -3.757 99 HD2 HIS 40 HD2 HIS 40 1.366 -5.187 -1.207 100 HE1 HIS 40 HE1 HIS 40 2.442 -4.133 -5.172 101 HE2 HIS 40 HE2 HIS 40 1.848 -6.016 -3.608 102 H LEU 41 H LEU 41 -1.630 -1.052 -0.401 103 HA LEU 41 HA LEU 41 -3.211 -3.166 -1.597 104 HG LEU 41 HG LEU 41 -5.596 -2.261 -2.203 105 H ILE 42 H ILE 42 -3.744 -3.321 -3.707 106 HA ILE 42 HA ILE 42 -2.688 -1.225 -5.486 107 HB ILE 42 HB ILE 42 -3.272 -3.947 -6.545 108 H GLY 43 H GLY 43 -3.847 -0.805 -7.454 109 H GLU 44 H GLU 44 -8.350 -0.806 -6.908 110 HA GLU 44 HA GLU 44 -8.457 2.051 -6.457 111 H SER 45 H SER 45 -9.896 2.461 -4.278 112 HA SER 45 HA SER 45 -8.992 0.971 -1.998 113 HG SER 45 HG SER 45 -8.352 4.680 -2.482 114 H LYS 46 H LYS 46 -11.479 2.051 -3.322 115 HA LYS 46 HA LYS 46 -12.808 2.896 -0.927 116 H SER 47 H SER 47 -14.815 2.109 -0.975 117 HA SER 47 HA SER 47 -15.967 1.244 -3.527 118 HG SER 47 HG SER 47 -17.214 -0.435 -3.395 119 H TYR 48 H TYR 48 -17.839 2.171 -4.360 120 HA TYR 48 HA TYR 48 -18.846 4.433 -2.735 121 HD1 TYR 48 HD1 TYR 48 -16.742 5.694 -3.175 122 HD2 TYR 48 HD2 TYR 48 -17.413 4.432 -7.179 123 HE1 TYR 48 HE1 TYR 48 -14.359 6.045 -3.679 124 HE2 TYR 48 HE2 TYR 48 -15.033 4.773 -7.696 125 HH TYR 48 HH TYR 48 -13.120 5.892 -6.918 126 H CYS 49 H CYS 49 -20.767 4.223 -1.982 127 HA CYS 49 HA CYS 49 -22.511 2.112 -2.693 128 H GLU 50 H GLU 50 -23.007 2.207 -4.834 129 HA GLU 50 HA GLU 50 -24.736 4.454 -5.626 130 H LEU 51 H LEU 51 -26.057 3.804 -7.613 131 HA LEU 51 HA LEU 51 -27.347 1.236 -6.985 132 HG LEU 51 HG LEU 51 -27.628 4.466 -8.767 133 H GLY 52 H GLY 52 -28.010 -0.154 -8.702 134 H SER 53 H SER 53 -27.926 -2.083 -8.972 135 HA SER 53 HA SER 53 -28.615 -4.149 -10.763 136 HG SER 53 HG SER 53 -27.701 -5.744 -8.419 137 H THR 54 H THR 54 -29.907 -2.764 -12.236 138 HA THR 54 HA THR 54 -31.874 -2.026 -13.122 139 HB THR 54 HB THR 54 -33.593 -3.597 -13.092 140 HG1 THR 54 HG1 THR 54 -34.342 -3.765 -11.107 141 H GLY 55 H GLY 55 -31.011 -0.775 -10.590 142 H SER 56 H SER 56 -31.106 -1.602 -8.631 143 HA SER 56 HA SER 56 -31.927 -1.252 -5.882 144 HG SER 56 HG SER 56 -31.840 -3.558 -4.992 145 H MET 57 H MET 57 -29.443 -1.921 -4.654 146 HA MET 57 HA MET 57 -27.825 0.469 -5.169 147 H VAL 58 H VAL 58 -25.929 -0.180 -5.772 148 HA VAL 58 HA VAL 58 -24.778 -2.627 -4.619 149 HB VAL 58 HB VAL 58 -23.258 -2.415 -6.731 150 H TRP 59 H TRP 59 -22.184 -2.412 -5.127 151 HA TRP 59 HA TRP 59 -21.367 0.161 -3.953 152 HD1 TRP 59 HD1 TRP 59 -22.667 -2.868 -1.581 153 HE1 TRP 59 HE1 TRP 59 -23.361 -1.676 0.593 154 HE3 TRP 59 HE3 TRP 59 -19.403 1.063 -1.736 155 HZ2 TRP 59 HZ2 TRP 59 -22.614 0.628 2.050 156 HZ3 TRP 59 HZ3 TRP 59 -19.455 2.712 0.091 157 HH2 TRP 59 HH2 TRP 59 -21.024 2.498 1.931 158 H ASN 60 H ASN 60 -19.937 1.239 -5.117 159 HA ASN 60 HA ASN 60 -18.740 0.152 -7.469 160 HA PRO 61 HA PRO 61 -14.591 -1.391 -6.981 161 H GLU 62 H GLU 62 -15.310 -2.580 -5.201 162 HA GLU 62 HA GLU 62 -15.186 -1.491 -2.552 163 H ALA 63 H ALA 63 -13.945 -4.713 -3.139 164 HA ALA 63 HA ALA 63 -11.609 -4.047 -1.567 165 HA PRO 64 HA PRO 64 -9.172 -3.963 -5.390 166 H ILE 65 H ILE 65 -6.331 -3.971 -4.969 167 HA ILE 65 HA ILE 65 -6.000 -6.745 -4.122 168 HB ILE 65 HB ILE 65 -3.693 -5.220 -5.172 169 H CYS 66 H CYS 66 -3.881 -7.239 -2.990 170 HA CYS 66 HA CYS 66 -2.646 -5.278 -1.370 171 H GLU 67 H GLU 67 -0.774 -6.032 -0.523 172 HA GLU 67 HA GLU 67 -0.333 -8.805 0.035 173 H SER 68 H SER 68 2.140 -9.140 0.477 174 HA SER 68 HA SER 68 2.877 -7.057 2.319 175 HG SER 68 HG SER 68 5.560 -9.284 1.314 176 H VAL 69 H VAL 69 3.864 -5.319 1.711 177 HA VAL 69 HA VAL 69 4.894 -4.565 -0.630 178 HB VAL 69 HB VAL 69 6.389 -3.011 0.568 179 H LYS 70 H LYS 70 6.127 -5.915 -1.866 180 HA LYS 70 HA LYS 70 8.589 -6.991 -0.710 181 H CYS 71 H CYS 71 10.157 -5.499 -0.687 182 HA CYS 71 HA CYS 71 10.498 -3.718 -2.975 183 H GLN 72 H GLN 72 11.875 -4.216 -4.526 184 HA GLN 72 HA GLN 72 13.555 -6.497 -4.359 185 H SER 73 H SER 73 15.871 -5.395 -5.760 186 HA SER 73 HA SER 73 17.607 -5.027 -3.671 187 HG SER 73 HG SER 73 20.022 -5.257 -5.781 188 HA PRO 74 HA PRO 74 16.837 -0.986 -2.051 189 HA PRO 75 HA PRO 75 17.454 2.259 -4.971 190 H SER 76 H SER 76 19.047 3.221 -6.326 191 HA SER 76 HA SER 76 21.675 1.911 -6.144 192 HG SER 76 HG SER 76 20.834 4.015 -8.990 193 H ILE 77 H ILE 77 22.622 3.472 -4.804 194 HA ILE 77 HA ILE 77 22.535 6.252 -5.361 195 HB ILE 77 HB ILE 77 24.273 6.505 -3.694 196 H SER 78 H SER 78 24.636 7.513 -5.639 197 HA SER 78 HA SER 78 25.913 6.527 -8.064 198 HG SER 78 HG SER 78 24.630 8.740 -8.980 199 H ASN 79 H ASN 79 28.091 6.174 -8.301 200 HA ASN 79 HA ASN 79 30.163 5.480 -7.682 201 H GLY 80 H GLY 80 27.827 4.197 -6.453 202 H ARG 81 H ARG 81 27.384 1.356 -3.167 203 HA ARG 81 HA ARG 81 25.269 0.447 -4.859 204 HE ARG 81 HE ARG 81 30.772 -1.675 -4.565 205 1HH1 ARG 81 1HH1 ARG 81 30.096 -2.638 -7.841 206 1HH2 ARG 81 1HH2 ARG 81 32.959 -2.093 -5.061 207 H HIS 82 H HIS 82 24.633 -1.910 -3.896 208 HA HIS 82 HA HIS 82 24.548 -1.546 -0.979 209 HD1 HIS 82 HD1 HIS 82 21.437 -0.503 -3.799 210 HD2 HIS 82 HD2 HIS 82 22.621 -4.487 -3.765 211 HE1 HIS 82 HE1 HIS 82 20.755 -1.426 -6.036 212 HE2 HIS 82 HE2 HIS 82 21.482 -3.838 -5.995 213 H ASN 83 H ASN 83 23.970 -3.642 0.191 214 HA ASN 83 HA ASN 83 25.752 -5.732 -0.839 215 H GLY 84 H GLY 84 23.059 -6.134 1.410 216 H TYR 85 H TYR 85 20.620 -9.628 1.277 217 HA TYR 85 HA TYR 85 22.691 -11.460 0.283 218 HD1 TYR 85 HD1 TYR 85 20.460 -10.070 3.574 219 HD2 TYR 85 HD2 TYR 85 24.237 -11.954 3.039 220 HE1 TYR 85 HE1 TYR 85 21.413 -8.645 5.335 221 HE2 TYR 85 HE2 TYR 85 25.201 -10.534 4.799 222 HH TYR 85 HH TYR 85 24.490 -9.230 6.710 223 H GLU 86 H GLU 86 19.264 -10.825 0.491 224 HA GLU 86 HA GLU 86 18.651 -13.116 -1.208 225 H ASP 87 H ASP 87 16.509 -12.339 -2.619 226 HA ASP 87 HA ASP 87 17.645 -10.380 -4.475 227 H PHE 88 H PHE 88 15.006 -10.881 -2.319 228 HA PHE 88 HA PHE 88 13.898 -8.282 -3.125 229 HD1 PHE 88 HD1 PHE 88 13.167 -10.845 -5.304 230 HD2 PHE 88 HD2 PHE 88 10.603 -7.933 -3.563 231 HE1 PHE 88 HE1 PHE 88 12.372 -10.213 -7.542 232 HE2 PHE 88 HE2 PHE 88 9.802 -7.297 -5.792 233 HZ PHE 88 HZ PHE 88 10.685 -8.434 -7.793 234 H TYR 89 H TYR 89 12.155 -7.675 -1.287 235 HA TYR 89 HA TYR 89 13.031 -8.408 1.370 236 HD1 TYR 89 HD1 TYR 89 14.960 -6.298 -1.409 237 HD2 TYR 89 HD2 TYR 89 15.681 -7.235 2.676 238 HE1 TYR 89 HE1 TYR 89 17.304 -6.810 -1.946 239 HE2 TYR 89 HE2 TYR 89 18.028 -7.750 2.149 240 HH TYR 89 HH TYR 89 19.160 -8.025 -1.090 241 H THR 90 H THR 90 11.701 -7.390 3.058 242 HA THR 90 HA THR 90 9.259 -6.136 2.070 243 HB THR 90 HB THR 90 7.994 -7.733 3.666 244 HG1 THR 90 HG1 THR 90 9.955 -8.657 4.516 245 H ASP 91 H ASP 91 7.738 -5.867 4.153 246 HA ASP 91 HA ASP 91 8.755 -3.783 5.601 247 H GLY 92 H GLY 92 10.718 -4.079 6.473 248 H SER 93 H SER 93 12.524 -4.711 5.959 249 HA SER 93 HA SER 93 14.733 -6.551 6.598 250 HG SER 93 HG SER 93 12.244 -6.072 4.381 251 H VAL 94 H VAL 94 16.864 -5.908 6.234 252 HA VAL 94 HA VAL 94 17.256 -3.042 5.728 253 HB VAL 94 HB VAL 94 18.609 -4.680 7.875 254 H VAL 95 H VAL 95 19.433 -2.475 5.037 255 HA VAL 95 HA VAL 95 21.125 -4.604 4.032 256 HB VAL 95 HB VAL 95 20.045 -2.553 2.104 257 H THR 96 H THR 96 23.229 -3.905 3.552 258 HA THR 96 HA THR 96 23.816 -1.200 4.536 259 HB THR 96 HB THR 96 26.221 -2.566 4.500 260 HG1 THR 96 HG1 THR 96 24.176 -4.309 5.406 261 H TYR 97 H TYR 97 24.578 0.246 3.205 262 HA TYR 97 HA TYR 97 25.121 -0.455 0.468 263 HD1 TYR 97 HD1 TYR 97 22.648 0.125 1.587 264 HD2 TYR 97 HD2 TYR 97 24.145 3.043 -1.127 265 HE1 TYR 97 HE1 TYR 97 20.500 0.120 0.407 266 HE2 TYR 97 HE2 TYR 97 21.991 3.045 -2.309 267 HH TYR 97 HH TYR 97 20.040 1.201 -2.564 268 H SER 98 H SER 98 26.997 0.397 -0.701 269 HA SER 98 HA SER 98 29.379 0.979 0.840 270 HG SER 98 HG SER 98 28.722 -2.111 -1.324 271 H CYS 99 H CYS 99 30.878 2.112 -0.303 272 HA CYS 99 HA CYS 99 30.118 3.186 -2.818 273 H ASN 100 H ASN 100 31.392 3.093 -4.800 274 HA ASN 100 HA ASN 100 32.296 0.379 -5.312 275 H SER 101 H SER 101 33.496 3.524 -6.496 276 HA SER 101 HA SER 101 36.094 2.580 -7.001 277 HG SER 101 HG SER 101 36.961 4.940 -8.577 278 H GLY 102 H GLY 102 34.589 3.669 -4.096 279 H TYR 103 H TYR 103 34.040 5.102 -2.919 280 HA TYR 103 HA TYR 103 34.932 7.543 -1.800 281 HD1 TYR 103 HD1 TYR 103 33.261 9.970 -2.578 282 HD2 TYR 103 HD2 TYR 103 33.141 6.462 -4.985 283 HE1 TYR 103 HE1 TYR 103 33.713 11.331 -4.576 284 HE2 TYR 103 HE2 TYR 103 33.592 7.814 -6.988 285 HH TYR 103 HH TYR 103 34.785 10.168 -7.389 286 H SER 104 H SER 104 33.163 8.487 -0.107 287 HA SER 104 HA SER 104 33.322 6.701 2.228 288 HG SER 104 HG SER 104 34.784 9.700 1.312 289 H LEU 105 H LEU 105 31.377 5.690 2.159 290 HA LEU 105 HA LEU 105 28.988 6.615 1.261 291 HG LEU 105 HG LEU 105 27.266 5.345 1.388 292 H ILE 106 H ILE 106 27.475 7.917 1.865 293 HA ILE 106 HA ILE 106 27.697 9.246 4.478 294 HB ILE 106 HB ILE 106 26.566 10.255 1.867 295 H GLY 107 H GLY 107 25.717 9.881 5.533 296 H ASN 108 H ASN 108 25.597 7.457 6.374 297 HA ASN 108 HA ASN 108 25.835 5.344 7.164 298 H SER 109 H SER 109 25.883 3.369 6.338 299 HA SER 109 HA SER 109 24.748 2.878 3.806 300 HG SER 109 HG SER 109 26.418 0.276 6.261 301 H GLY 110 H GLY 110 23.704 2.179 7.009 302 H VAL 111 H VAL 111 20.281 -0.232 5.333 303 HA VAL 111 HA VAL 111 18.546 2.126 4.989 304 HB VAL 111 HB VAL 111 18.684 -0.032 2.933 305 H LEU 112 H LEU 112 16.346 1.794 5.209 306 HA LEU 112 HA LEU 112 15.615 -0.829 6.302 307 HG LEU 112 HG LEU 112 12.879 0.780 8.315 308 H CYS 113 H CYS 113 14.170 -2.119 5.352 309 HA CYS 113 HA CYS 113 12.836 -1.129 2.928 310 H SER 114 H SER 114 10.864 -0.349 3.526 311 HA SER 114 HA SER 114 8.909 -2.174 4.523 312 HG SER 114 HG SER 114 8.485 0.809 6.621 313 H GLY 115 H GLY 115 7.156 -1.698 3.410 314 H GLY 116 H GLY 116 7.453 -1.581 1.305 315 H GLU 117 H GLU 117 8.865 0.443 0.699 316 HA GLU 117 HA GLU 117 10.696 1.013 -1.499 317 H TRP 118 H TRP 118 12.599 2.327 -0.670 318 HA TRP 118 HA TRP 118 13.418 1.246 1.933 319 HD1 TRP 118 HD1 TRP 118 13.984 0.307 -1.993 320 HE1 TRP 118 HE1 TRP 118 14.427 -2.225 -2.093 321 HE3 TRP 118 HE3 TRP 118 16.245 -0.308 2.548 322 HZ2 TRP 118 HZ2 TRP 118 15.582 -4.211 -0.470 323 HZ3 TRP 118 HZ3 TRP 118 17.000 -2.559 3.196 324 HH2 TRP 118 HH2 TRP 118 16.671 -4.473 1.715 325 H SER 119 H SER 119 14.313 2.589 3.500 326 HA SER 119 HA SER 119 14.054 5.474 2.968 327 HG SER 119 HG SER 119 11.561 3.832 4.797 328 H ASP 120 H ASP 120 15.491 6.869 3.988 329 HA ASP 120 HA ASP 120 17.479 7.592 4.796 330 HA PRO 121 HA PRO 121 19.733 4.655 1.781 331 HA PRO 122 HA PRO 122 23.083 7.503 2.420 332 H THR 123 H THR 123 25.342 7.799 1.300 333 HA THR 123 HA THR 123 25.029 8.007 -1.609 334 HB THR 123 HB THR 123 26.412 10.281 -0.332 335 HG1 THR 123 HG1 THR 123 24.782 10.364 1.083 336 H CYS 124 H CYS 124 27.503 9.442 -1.932 337 HA CYS 124 HA CYS 124 29.530 7.938 -0.561 338 H GLN 125 H GLN 125 30.258 9.941 0.082 339 HA GLN 125 HA GLN 125 31.387 11.642 -2.031 340 H ILE 126 H ILE 126 33.383 12.751 -1.467 341 HA ILE 126 HA ILE 126 35.221 10.926 -0.153 342 HB ILE 126 HB ILE 126 35.761 13.458 -1.705 No H/Q in entry = 342 Start of MODEL 14 1 H ARG 7 H ARG 7 -33.555 -2.886 -1.422 2 HA ARG 7 HA ARG 7 -33.768 -4.778 0.802 3 HE ARG 7 HE ARG 7 -37.562 -4.850 -1.799 4 1HH1 ARG 7 1HH1 ARG 7 -36.375 -8.028 -2.584 5 1HH2 ARG 7 1HH2 ARG 7 -39.614 -5.834 -1.624 6 H ARG 8 H ARG 8 -31.867 -5.156 1.835 7 HA ARG 8 HA ARG 8 -29.793 -4.549 2.588 8 HE ARG 8 HE ARG 8 -30.315 -9.079 2.012 9 1HH1 ARG 8 1HH1 ARG 8 -26.967 -9.658 1.253 10 1HH2 ARG 8 1HH2 ARG 8 -30.249 -11.078 3.106 11 H CYS 9 H CYS 9 -27.515 -3.726 1.182 12 HA CYS 9 HA CYS 9 -28.155 -0.913 0.779 13 HA PRO 10 HA PRO 10 -27.532 -0.890 -3.570 14 H SER 11 H SER 11 -25.836 -0.905 -5.305 15 HA SER 11 HA SER 11 -23.962 -2.855 -4.889 16 HG SER 11 HG SER 11 -23.846 -2.768 -8.250 17 HA PRO 12 HA PRO 12 -21.205 -0.810 -1.918 18 H ARG 13 H ARG 13 -19.482 0.568 -2.130 19 HA ARG 13 HA ARG 13 -18.852 1.550 -4.703 20 HE ARG 13 HE ARG 13 -18.741 5.535 -5.304 21 1HH1 ARG 13 1HH1 ARG 13 -15.315 5.045 -5.692 22 1HH2 ARG 13 1HH2 ARG 13 -18.504 7.246 -6.797 23 H ASP 14 H ASP 14 -16.847 1.572 -5.762 24 HA ASP 14 HA ASP 14 -15.354 -0.912 -5.365 25 H ILE 15 H ILE 15 -13.015 -0.345 -6.668 26 HA ILE 15 HA ILE 15 -11.770 2.044 -5.721 27 HB ILE 15 HB ILE 15 -11.933 0.832 -3.593 28 H ASP 16 H ASP 16 -9.743 2.358 -6.599 29 HA ASP 16 HA ASP 16 -8.922 0.386 -8.597 30 H ASN 17 H ASN 17 -6.590 -0.069 -8.805 31 HA ASN 17 HA ASN 17 -4.762 -1.092 -7.879 32 H GLY 18 H GLY 18 -7.396 -1.581 -6.592 33 H GLN 19 H GLN 19 -8.529 -3.743 -2.962 34 HA GLN 19 HA GLN 19 -10.356 -4.807 -4.984 35 H LEU 20 H LEU 20 -11.994 -6.293 -3.522 36 HA LEU 20 HA LEU 20 -12.959 -4.711 -1.273 37 HG LEU 20 HG LEU 20 -13.126 -3.901 -4.204 38 H ASP 21 H ASP 21 -13.924 -5.905 0.312 39 HA ASP 21 HA ASP 21 -14.157 -8.807 -0.173 40 H ILE 22 H ILE 22 -16.349 -8.137 -0.827 41 HA ILE 22 HA ILE 22 -18.101 -7.095 1.190 42 HB ILE 22 HB ILE 22 -19.143 -8.271 -1.338 43 H GLY 23 H GLY 23 -18.273 -8.538 2.856 44 H GLY 24 H GLY 24 -20.758 -8.606 2.005 45 H VAL 25 H VAL 25 -24.850 -7.995 1.760 46 HA VAL 25 HA VAL 25 -23.906 -5.209 1.919 47 HB VAL 25 HB VAL 25 -25.362 -4.728 -0.029 48 H ASP 26 H ASP 26 -26.065 -7.297 3.294 49 HA ASP 26 HA ASP 26 -28.438 -5.738 3.322 50 H PHE 27 H PHE 27 -29.366 -4.568 5.067 51 HA PHE 27 HA PHE 27 -27.802 -2.590 6.147 52 HD1 PHE 27 HD1 PHE 27 -28.391 -0.843 8.051 53 HD2 PHE 27 HD2 PHE 27 -31.488 -1.658 5.247 54 HE1 PHE 27 HE1 PHE 27 -28.642 1.572 7.635 55 HE2 PHE 27 HE2 PHE 27 -31.744 0.754 4.825 56 HZ PHE 27 HZ PHE 27 -30.323 2.363 6.011 57 H GLY 28 H GLY 28 -26.089 -2.812 7.386 58 H SER 29 H SER 29 -25.046 -4.708 6.743 59 HA SER 29 HA SER 29 -22.988 -6.552 7.473 60 HG SER 29 HG SER 29 -24.683 -7.681 4.944 61 H SER 30 H SER 30 -20.826 -6.297 6.088 62 HA SER 30 HA SER 30 -19.830 -3.583 6.064 63 HG SER 30 HG SER 30 -17.939 -6.153 8.445 64 H ILE 31 H ILE 31 -18.135 -3.310 4.677 65 HA ILE 31 HA ILE 31 -17.217 -5.718 3.256 66 HB ILE 31 HB ILE 31 -16.407 -3.175 2.067 67 H THR 32 H THR 32 -14.935 -5.611 2.430 68 HA THR 32 HA THR 32 -13.159 -4.192 4.290 69 HB THR 32 HB THR 32 -12.203 -6.825 3.365 70 HG1 THR 32 HG1 THR 32 -13.439 -7.900 4.982 71 H TYR 33 H TYR 33 -12.099 -2.772 3.100 72 HA TYR 33 HA TYR 33 -11.589 -3.247 0.297 73 HD1 TYR 33 HD1 TYR 33 -13.733 -1.461 2.222 74 HD2 TYR 33 HD2 TYR 33 -11.622 -0.094 -1.207 75 HE1 TYR 33 HE1 TYR 33 -15.847 -0.663 1.242 76 HE2 TYR 33 HE2 TYR 33 -13.731 0.728 -2.188 77 HH TYR 33 HH TYR 33 -16.281 0.049 -1.894 78 H SER 34 H SER 34 -9.572 -3.384 -0.705 79 HA SER 34 HA SER 34 -7.210 -3.584 0.998 80 HG SER 34 HG SER 34 -6.497 -6.578 1.281 81 H CYS 35 H CYS 35 -5.226 -4.114 -0.418 82 HA CYS 35 HA CYS 35 -5.357 -2.359 -2.747 83 H ASN 36 H ASN 36 -4.267 -2.979 -4.730 84 HA ASN 36 HA ASN 36 -5.076 -5.452 -5.705 85 H SER 37 H SER 37 -1.634 -4.695 -5.888 86 HA SER 37 HA SER 37 -0.918 -6.978 -4.262 87 HG SER 37 HG SER 37 0.061 -9.294 -5.946 88 H GLY 38 H GLY 38 1.017 -6.708 -3.313 89 H TYR 39 H TYR 39 0.364 -4.250 -2.725 90 HA TYR 39 HA TYR 39 1.412 -1.497 -2.689 91 HD1 TYR 39 HD1 TYR 39 1.504 -2.172 -4.966 92 HD2 TYR 39 HD2 TYR 39 -1.977 0.232 -4.521 93 HE1 TYR 39 HE1 TYR 39 2.061 -0.990 -7.050 94 HE2 TYR 39 HE2 TYR 39 -1.432 1.420 -6.601 95 HH TYR 39 HH TYR 39 -0.040 0.802 -8.763 96 H HIS 40 H HIS 40 -0.037 -0.089 -1.166 97 HA HIS 40 HA HIS 40 -0.761 -1.566 1.249 98 HD1 HIS 40 HD1 HIS 40 1.300 2.095 3.331 99 HD2 HIS 40 HD2 HIS 40 1.136 1.566 -0.782 100 HE1 HIS 40 HE1 HIS 40 1.868 4.337 2.343 101 HE2 HIS 40 HE2 HIS 40 1.762 3.994 -0.151 102 H LEU 41 H LEU 41 -2.768 -1.068 1.711 103 HA LEU 41 HA LEU 41 -4.052 1.244 0.608 104 HG LEU 41 HG LEU 41 -6.439 1.477 1.659 105 H ILE 42 H ILE 42 -4.226 3.173 1.524 106 HA ILE 42 HA ILE 42 -3.391 3.465 4.308 107 HB ILE 42 HB ILE 42 -4.003 5.826 2.589 108 H GLY 43 H GLY 43 -4.571 4.722 5.803 109 H GLU 44 H GLU 44 -9.191 4.791 5.997 110 HA GLU 44 HA GLU 44 -9.437 2.487 7.589 111 H SER 45 H SER 45 -10.809 0.553 6.609 112 HA SER 45 HA SER 45 -9.884 -0.281 3.989 113 HG SER 45 HG SER 45 -9.956 -1.627 7.222 114 H LYS 46 H LYS 46 -12.441 0.220 5.568 115 HA LYS 46 HA LYS 46 -13.758 -2.251 4.734 116 H SER 47 H SER 47 -16.262 -1.861 5.402 117 HA SER 47 HA SER 47 -17.212 0.797 4.923 118 HG SER 47 HG SER 47 -17.386 1.603 2.532 119 H TYR 48 H TYR 48 -18.738 0.784 6.467 120 HA TYR 48 HA TYR 48 -20.234 -1.651 6.963 121 HD1 TYR 48 HD1 TYR 48 -17.677 0.886 8.591 122 HD2 TYR 48 HD2 TYR 48 -20.064 -2.387 9.889 123 HE1 TYR 48 HE1 TYR 48 -15.734 -0.056 9.765 124 HE2 TYR 48 HE2 TYR 48 -18.128 -3.338 11.070 125 HH TYR 48 HH TYR 48 -15.910 -2.316 12.092 126 H CYS 49 H CYS 49 -22.078 -2.051 6.038 127 HA CYS 49 HA CYS 49 -23.518 -0.186 4.484 128 H GLU 50 H GLU 50 -24.008 1.578 5.738 129 HA GLU 50 HA GLU 50 -25.987 1.107 7.864 130 H LEU 51 H LEU 51 -27.281 3.243 8.230 131 HA LEU 51 HA LEU 51 -28.617 3.721 5.707 132 HG LEU 51 HG LEU 51 -28.931 5.827 8.589 133 H GLY 52 H GLY 52 -29.007 5.724 4.780 134 H SER 53 H SER 53 -29.739 9.302 4.488 135 HA SER 53 HA SER 53 -29.984 10.231 7.271 136 HG SER 53 HG SER 53 -31.229 12.829 6.584 137 H THR 54 H THR 54 -31.522 9.980 4.093 138 HA THR 54 HA THR 54 -34.134 10.545 5.258 139 HB THR 54 HB THR 54 -34.960 10.553 2.978 140 HG1 THR 54 HG1 THR 54 -32.350 9.791 2.181 141 H GLY 55 H GLY 55 -33.184 8.291 6.376 142 H SER 56 H SER 56 -32.002 6.676 4.483 143 HA SER 56 HA SER 56 -32.735 4.498 2.651 144 HG SER 56 HG SER 56 -31.683 4.892 0.374 145 H MET 57 H MET 57 -30.426 3.731 1.590 146 HA MET 57 HA MET 57 -28.840 2.763 3.868 147 H VAL 58 H VAL 58 -26.611 2.695 3.658 148 HA VAL 58 HA VAL 58 -25.361 3.677 1.232 149 HB VAL 58 HB VAL 58 -24.052 5.376 2.680 150 H TRP 59 H TRP 59 -22.866 4.061 1.874 151 HA TRP 59 HA TRP 59 -22.024 1.789 3.542 152 HD1 TRP 59 HD1 TRP 59 -23.178 1.427 -0.463 153 HE1 TRP 59 HE1 TRP 59 -24.065 -0.987 -0.620 154 HE3 TRP 59 HE3 TRP 59 -20.411 -0.693 3.273 155 HZ2 TRP 59 HZ2 TRP 59 -23.636 -3.461 0.677 156 HZ3 TRP 59 HZ3 TRP 59 -20.707 -3.086 3.745 157 HH2 TRP 59 HH2 TRP 59 -22.277 -4.429 2.483 158 H ASN 60 H ASN 60 -20.609 2.363 5.079 159 HA ASN 60 HA ASN 60 -18.735 4.544 4.552 160 HA PRO 61 HA PRO 61 -16.801 5.244 5.062 161 H GLU 62 H GLU 62 -15.194 5.009 2.822 162 HA GLU 62 HA GLU 62 -16.867 3.369 1.067 163 H ALA 63 H ALA 63 -14.253 4.762 -0.597 164 HA ALA 63 HA ALA 63 -12.725 2.282 -0.450 165 HA PRO 64 HA PRO 64 -10.004 5.586 1.373 166 H ILE 65 H ILE 65 -7.309 4.997 1.391 167 HA ILE 65 HA ILE 65 -6.674 5.413 -1.416 168 HB ILE 65 HB ILE 65 -4.673 5.573 0.789 169 H CYS 66 H CYS 66 -4.631 4.526 -2.271 170 HA CYS 66 HA CYS 66 -3.563 2.110 -1.164 171 H GLU 67 H GLU 67 -1.543 1.707 -1.969 172 HA GLU 67 HA GLU 67 -0.691 2.692 -4.522 173 H SER 68 H SER 68 1.931 2.616 -4.452 174 HA SER 68 HA SER 68 2.500 -0.140 -3.791 175 HG SER 68 HG SER 68 5.123 -0.208 -4.195 176 H VAL 69 H VAL 69 3.674 -0.866 -2.163 177 HA VAL 69 HA VAL 69 4.158 0.483 0.145 178 HB VAL 69 HB VAL 69 6.133 -1.262 0.408 179 H LYS 70 H LYS 70 5.116 2.418 0.151 180 HA LYS 70 HA LYS 70 7.445 3.057 -1.354 181 H CYS 71 H CYS 71 9.492 2.604 -0.913 182 HA CYS 71 HA CYS 71 10.221 1.824 1.825 183 H GLN 72 H GLN 72 11.356 3.195 2.986 184 HA GLN 72 HA GLN 72 12.233 5.676 1.927 185 H SER 73 H SER 73 14.731 5.916 3.410 186 HA SER 73 HA SER 73 16.548 5.337 1.421 187 HG SER 73 HG SER 73 18.770 7.057 2.999 188 HA PRO 74 HA PRO 74 17.216 0.988 1.608 189 HA PRO 75 HA PRO 75 18.724 -0.508 5.448 190 H SER 76 H SER 76 20.497 -0.422 6.921 191 HA SER 76 HA SER 76 22.584 1.476 6.086 192 HG SER 76 HG SER 76 22.335 0.424 9.620 193 H ILE 77 H ILE 77 24.035 -0.052 5.287 194 HA ILE 77 HA ILE 77 24.808 -2.376 6.704 195 HB ILE 77 HB ILE 77 26.627 -2.578 5.118 196 H SER 78 H SER 78 27.273 -2.708 7.139 197 HA SER 78 HA SER 78 28.031 -0.653 9.078 198 HG SER 78 HG SER 78 29.700 -3.788 8.030 199 H ASN 79 H ASN 79 30.007 0.373 9.062 200 HA ASN 79 HA ASN 79 31.801 1.397 8.118 201 H GLY 80 H GLY 80 29.263 1.444 6.673 202 H ARG 81 H ARG 81 28.057 2.665 2.667 203 HA ARG 81 HA ARG 81 25.649 3.166 4.112 204 HE ARG 81 HE ARG 81 27.875 8.874 3.481 205 1HH1 ARG 81 1HH1 ARG 81 30.150 6.299 2.916 206 1HH2 ARG 81 1HH2 ARG 81 29.081 10.061 1.952 207 H HIS 82 H HIS 82 24.202 4.673 2.539 208 HA HIS 82 HA HIS 82 24.346 3.322 -0.069 209 HD1 HIS 82 HD1 HIS 82 22.179 6.529 1.123 210 HD2 HIS 82 HD2 HIS 82 20.945 3.201 3.284 211 HE1 HIS 82 HE1 HIS 82 21.000 7.442 3.147 212 HE2 HIS 82 HE2 HIS 82 20.260 5.411 4.442 213 H ASN 83 H ASN 83 23.132 4.638 -1.836 214 HA ASN 83 HA ASN 83 24.260 7.352 -1.790 215 H GLY 84 H GLY 84 21.684 6.143 -3.878 216 H TYR 85 H TYR 85 18.492 8.630 -4.989 217 HA TYR 85 HA TYR 85 19.809 11.220 -4.553 218 HD1 TYR 85 HD1 TYR 85 19.141 8.180 -7.074 219 HD2 TYR 85 HD2 TYR 85 21.380 11.784 -7.358 220 HE1 TYR 85 HE1 TYR 85 20.982 6.943 -8.133 221 HE2 TYR 85 HE2 TYR 85 23.230 10.558 -8.420 222 HH TYR 85 HH TYR 85 23.234 7.071 -8.647 223 H GLU 86 H GLU 86 16.792 9.499 -4.579 224 HA GLU 86 HA GLU 86 15.284 11.906 -3.924 225 H ASP 87 H ASP 87 13.347 11.036 -2.276 226 HA ASP 87 HA ASP 87 14.837 10.404 0.172 227 H PHE 88 H PHE 88 12.554 9.091 -1.993 228 HA PHE 88 HA PHE 88 12.067 6.898 -0.120 229 HD1 PHE 88 HD1 PHE 88 9.325 5.738 0.679 230 HD2 PHE 88 HD2 PHE 88 10.179 9.902 0.764 231 HE1 PHE 88 HE1 PHE 88 8.589 5.835 3.016 232 HE2 PHE 88 HE2 PHE 88 9.443 10.011 3.106 233 HZ PHE 88 HZ PHE 88 8.642 7.974 4.240 234 H TYR 89 H TYR 89 10.757 5.113 -1.398 235 HA TYR 89 HA TYR 89 11.476 4.896 -4.188 236 HD1 TYR 89 HD1 TYR 89 13.838 4.797 -0.935 237 HD2 TYR 89 HD2 TYR 89 14.412 4.237 -5.112 238 HE1 TYR 89 HE1 TYR 89 15.863 6.191 -0.839 239 HE2 TYR 89 HE2 TYR 89 16.436 5.629 -5.028 240 HH TYR 89 HH TYR 89 17.322 7.494 -3.511 241 H THR 90 H THR 90 10.724 2.764 -5.104 242 HA THR 90 HA THR 90 8.722 1.381 -3.512 243 HB THR 90 HB THR 90 7.037 1.708 -5.403 244 HG1 THR 90 HG1 THR 90 8.292 2.606 -6.980 245 H ASP 91 H ASP 91 7.487 -0.168 -5.243 246 HA ASP 91 HA ASP 91 9.263 -2.174 -5.864 247 H GLY 92 H GLY 92 11.022 -1.569 -6.971 248 H SER 93 H SER 93 12.421 -0.229 -6.883 249 HA SER 93 HA SER 93 13.934 1.837 -8.343 250 HG SER 93 HG SER 93 11.526 2.688 -7.007 251 H VAL 94 H VAL 94 16.141 2.082 -7.961 252 HA VAL 94 HA VAL 94 17.402 -0.050 -6.378 253 HB VAL 94 HB VAL 94 18.296 0.929 -9.091 254 H VAL 95 H VAL 95 19.518 0.424 -5.581 255 HA VAL 95 HA VAL 95 20.411 3.200 -5.687 256 HB VAL 95 HB VAL 95 19.975 1.851 -3.032 257 H THR 96 H THR 96 22.574 3.484 -5.223 258 HA THR 96 HA THR 96 24.146 1.010 -5.173 259 HB THR 96 HB THR 96 25.891 3.128 -5.648 260 HG1 THR 96 HG1 THR 96 24.814 4.244 -7.355 261 H TYR 97 H TYR 97 25.502 0.530 -3.551 262 HA TYR 97 HA TYR 97 25.491 2.302 -1.231 263 HD1 TYR 97 HD1 TYR 97 23.368 0.529 -1.886 264 HD2 TYR 97 HD2 TYR 97 25.555 -0.422 1.635 265 HE1 TYR 97 HE1 TYR 97 21.263 0.276 -0.658 266 HE2 TYR 97 HE2 TYR 97 23.447 -0.685 2.875 267 HH TYR 97 HH TYR 97 21.219 -0.523 2.798 268 H SER 98 H SER 98 27.475 2.646 -0.019 269 HA SER 98 HA SER 98 29.982 2.231 -1.418 270 HG SER 98 HG SER 98 28.231 4.946 -0.117 271 H CYS 99 H CYS 99 31.731 2.198 -0.088 272 HA CYS 99 HA CYS 99 31.261 1.993 2.712 273 H ASN 100 H ASN 100 32.153 3.269 4.397 274 HA ASN 100 HA ASN 100 32.253 6.081 3.716 275 H SER 101 H SER 101 34.118 3.868 5.710 276 HA SER 101 HA SER 101 36.308 5.661 6.042 277 HG SER 101 HG SER 101 38.334 3.737 6.600 278 H GLY 102 H GLY 102 35.425 3.573 3.498 279 H TYR 103 H TYR 103 35.577 1.647 3.173 280 HA TYR 103 HA TYR 103 37.227 -0.634 2.912 281 HD1 TYR 103 HD1 TYR 103 36.508 -2.878 4.750 282 HD2 TYR 103 HD2 TYR 103 34.980 1.003 5.592 283 HE1 TYR 103 HE1 TYR 103 37.305 -3.073 7.068 284 HE2 TYR 103 HE2 TYR 103 35.774 0.819 7.912 285 HH TYR 103 HH TYR 103 37.992 -1.248 8.940 286 H SER 104 H SER 104 35.814 -2.621 1.818 287 HA SER 104 HA SER 104 35.647 -1.848 -1.010 288 HG SER 104 HG SER 104 38.335 -3.237 -0.412 289 H LEU 105 H LEU 105 33.580 -1.552 -1.515 290 HA LEU 105 HA LEU 105 31.299 -2.501 -0.389 291 HG LEU 105 HG LEU 105 29.732 -0.448 -2.874 292 H ILE 106 H ILE 106 30.709 -4.488 0.086 293 HA ILE 106 HA ILE 106 31.684 -6.744 -1.453 294 HB ILE 106 HB ILE 106 30.015 -6.605 1.055 295 H GLY 107 H GLY 107 30.230 -8.397 -2.246 296 H ASN 108 H ASN 108 26.156 -6.935 -3.685 297 HA ASN 108 HA ASN 108 27.379 -5.442 -5.910 298 H SER 109 H SER 109 27.383 -3.298 -5.757 299 HA SER 109 HA SER 109 26.498 -1.911 -3.494 300 HG SER 109 HG SER 109 27.075 1.098 -4.880 301 H GLY 110 H GLY 110 24.909 -2.773 -6.447 302 H VAL 111 H VAL 111 20.870 -1.126 -5.125 303 HA VAL 111 HA VAL 111 20.177 -3.716 -3.910 304 HB VAL 111 HB VAL 111 19.564 -1.097 -2.613 305 H LEU 112 H LEU 112 18.199 -4.424 -4.441 306 HA LEU 112 HA LEU 112 16.515 -2.740 -6.062 307 HG LEU 112 HG LEU 112 14.475 -5.798 -6.890 308 H CYS 113 H CYS 113 14.658 -1.768 -5.536 309 HA CYS 113 HA CYS 113 13.727 -2.018 -2.760 310 H SER 114 H SER 114 12.077 -3.447 -2.693 311 HA SER 114 HA SER 114 9.681 -2.926 -4.154 312 HG SER 114 HG SER 114 9.565 -5.150 -6.711 313 H GLY 115 H GLY 115 7.997 -3.509 -2.960 314 H GLY 116 H GLY 116 8.178 -2.375 -0.957 315 H GLU 117 H GLU 117 10.396 -3.276 0.090 316 HA GLU 117 HA GLU 117 12.160 -2.890 2.378 317 H TRP 118 H TRP 118 14.338 -4.064 1.822 318 HA TRP 118 HA TRP 118 14.992 -3.462 -0.982 319 HD1 TRP 118 HD1 TRP 118 14.912 -1.022 2.291 320 HE1 TRP 118 HE1 TRP 118 14.499 1.345 1.369 321 HE3 TRP 118 HE3 TRP 118 17.169 -1.516 -2.263 322 HZ2 TRP 118 HZ2 TRP 118 15.061 2.808 -0.971 323 HZ3 TRP 118 HZ3 TRP 118 17.194 0.417 -3.785 324 HH2 TRP 118 HH2 TRP 118 16.154 2.535 -3.150 325 H SER 119 H SER 119 16.422 -4.840 -2.041 326 HA SER 119 HA SER 119 17.159 -7.278 -0.573 327 HG SER 119 HG SER 119 14.321 -7.780 -2.661 328 H ASP 120 H ASP 120 18.861 -8.556 -1.701 329 HA ASP 120 HA ASP 120 21.073 -8.700 -2.187 330 HA PRO 121 HA PRO 121 22.256 -4.425 -0.667 331 HA PRO 122 HA PRO 122 26.367 -6.118 -0.387 332 H THR 123 H THR 123 28.540 -5.226 0.589 333 HA THR 123 HA THR 123 28.155 -4.307 3.344 334 HB THR 123 HB THR 123 30.159 -6.453 3.046 335 HG1 THR 123 HG1 THR 123 28.847 -7.944 2.414 336 H CYS 124 H CYS 124 30.643 -4.311 4.294 337 HA CYS 124 HA CYS 124 32.374 -3.133 2.255 338 H GLN 125 H GLN 125 33.878 -4.701 2.409 339 HA GLN 125 HA GLN 125 35.211 -5.001 5.014 340 H ILE 126 H ILE 126 37.505 -5.762 4.770 341 HA ILE 126 HA ILE 126 38.810 -4.121 2.741 342 HB ILE 126 HB ILE 126 39.963 -5.511 5.159 No H/Q in entry = 342 Start of MODEL 15 1 H ARG 7 H ARG 7 -34.401 1.562 3.546 2 HA ARG 7 HA ARG 7 -33.627 -0.523 3.077 3 HE ARG 7 HE ARG 7 -36.249 -0.169 3.846 4 1HH1 ARG 7 1HH1 ARG 7 -39.335 -1.439 2.849 5 2HH2 ARG 7 2HH2 ARG 7 -39.082 0.495 5.751 6 H ARG 8 H ARG 8 -31.519 0.497 3.233 7 HA ARG 8 HA ARG 8 -30.125 0.801 0.667 8 HE ARG 8 HE ARG 8 -30.187 2.780 5.297 9 1HH1 ARG 8 1HH1 ARG 8 -28.004 5.412 4.644 10 1HH2 ARG 8 1HH2 ARG 8 -29.329 2.803 7.412 11 H CYS 9 H CYS 9 -27.596 0.287 1.161 12 HA CYS 9 HA CYS 9 -27.515 -2.564 1.558 13 HA PRO 10 HA PRO 10 -25.969 -2.336 5.711 14 H SER 11 H SER 11 -23.936 -2.403 7.150 15 HA SER 11 HA SER 11 -22.263 -0.283 6.518 16 HG SER 11 HG SER 11 -19.901 -1.412 8.704 17 HA PRO 12 HA PRO 12 -19.943 -2.392 3.244 18 H ARG 13 H ARG 13 -18.095 -3.562 3.315 19 HA ARG 13 HA ARG 13 -16.855 -4.142 5.688 20 HE ARG 13 HE ARG 13 -14.062 -7.352 6.036 21 1HH1 ARG 13 1HH1 ARG 13 -16.769 -8.920 4.505 22 1HH2 ARG 13 1HH2 ARG 13 -14.362 -8.845 7.734 23 H ASP 14 H ASP 14 -15.676 -3.165 6.955 24 HA ASP 14 HA ASP 14 -14.702 -0.595 6.721 25 H ILE 15 H ILE 15 -13.211 -3.606 6.099 26 HA ILE 15 HA ILE 15 -11.205 -4.312 5.319 27 HB ILE 15 HB ILE 15 -11.770 -2.707 3.452 28 H ASP 16 H ASP 16 -9.101 -4.514 5.990 29 HA ASP 16 HA ASP 16 -8.379 -2.830 8.262 30 H ASN 17 H ASN 17 -6.132 -2.123 8.456 31 HA ASN 17 HA ASN 17 -4.479 -0.761 7.695 32 H GLY 18 H GLY 18 -7.242 -0.337 6.607 33 H GLN 19 H GLN 19 -8.603 2.638 3.658 34 HA GLN 19 HA GLN 19 -10.575 2.939 5.797 35 H LEU 20 H LEU 20 -12.624 3.409 5.093 36 HA LEU 20 HA LEU 20 -13.082 3.075 2.254 37 HG LEU 20 HG LEU 20 -14.477 0.939 2.612 38 H ASP 21 H ASP 21 -14.514 4.403 1.050 39 HA ASP 21 HA ASP 21 -14.761 7.171 2.027 40 H ILE 22 H ILE 22 -16.845 6.232 2.700 41 HA ILE 22 HA ILE 22 -18.706 5.353 0.726 42 HB ILE 22 HB ILE 22 -19.618 6.301 3.404 43 H GLY 23 H GLY 23 -19.408 6.731 -0.759 44 H GLY 24 H GLY 24 -21.640 6.621 0.199 45 H VAL 25 H VAL 25 -25.385 5.618 0.972 46 HA VAL 25 HA VAL 25 -24.309 2.945 0.364 47 HB VAL 25 HB VAL 25 -25.493 2.235 2.466 48 H ASP 26 H ASP 26 -26.649 4.801 -0.794 49 HA ASP 26 HA ASP 26 -28.974 3.184 -0.481 50 H PHE 27 H PHE 27 -30.060 1.993 -2.153 51 HA PHE 27 HA PHE 27 -28.515 0.044 -3.387 52 HD1 PHE 27 HD1 PHE 27 -28.713 -1.588 -4.652 53 HD2 PHE 27 HD2 PHE 27 -32.672 -0.275 -5.514 54 HE1 PHE 27 HE1 PHE 27 -28.879 -3.267 -6.448 55 HE2 PHE 27 HE2 PHE 27 -32.839 -1.946 -7.311 56 HZ PHE 27 HZ PHE 27 -30.943 -3.439 -7.780 57 H GLY 28 H GLY 28 -26.842 0.925 -4.581 58 H SER 29 H SER 29 -26.202 3.001 -4.295 59 HA SER 29 HA SER 29 -24.520 5.030 -5.202 60 HG SER 29 HG SER 29 -25.481 2.968 -2.364 61 H SER 30 H SER 30 -22.117 4.978 -4.023 62 HA SER 30 HA SER 30 -20.751 2.508 -4.672 63 HG SER 30 HG SER 30 -19.316 5.734 -5.693 64 H ILE 31 H ILE 31 -18.629 2.373 -3.828 65 HA ILE 31 HA ILE 31 -17.931 4.525 -1.933 66 HB ILE 31 HB ILE 31 -16.836 1.899 -1.242 67 H THR 32 H THR 32 -15.583 4.469 -1.300 68 HA THR 32 HA THR 32 -13.877 3.521 -3.503 69 HB THR 32 HB THR 32 -13.111 6.049 -2.140 70 HG1 THR 32 HG1 THR 32 -15.335 6.344 -2.642 71 H TYR 33 H TYR 33 -12.681 1.957 -2.621 72 HA TYR 33 HA TYR 33 -11.930 2.058 0.172 73 HD1 TYR 33 HD1 TYR 33 -14.206 0.213 -1.792 74 HD2 TYR 33 HD2 TYR 33 -11.679 -1.058 1.385 75 HE1 TYR 33 HE1 TYR 33 -16.143 -0.805 -0.665 76 HE2 TYR 33 HE2 TYR 33 -13.608 -2.083 2.520 77 HH TYR 33 HH TYR 33 -16.741 -2.308 0.976 78 H SER 34 H SER 34 -9.877 2.250 0.999 79 HA SER 34 HA SER 34 -7.622 2.580 -0.795 80 HG SER 34 HG SER 34 -6.623 4.976 -1.123 81 H CYS 35 H CYS 35 -5.579 2.688 0.316 82 HA CYS 35 HA CYS 35 -5.598 1.107 2.741 83 H ASN 36 H ASN 36 -4.232 1.683 4.582 84 HA ASN 36 HA ASN 36 -4.960 4.114 5.705 85 H SER 37 H SER 37 -1.495 3.536 5.539 86 HA SER 37 HA SER 37 -1.047 5.821 3.829 87 HG SER 37 HG SER 37 1.491 6.241 6.227 88 H GLY 38 H GLY 38 0.829 5.647 2.725 89 H TYR 39 H TYR 39 0.201 3.148 2.296 90 HA TYR 39 HA TYR 39 1.368 0.463 2.050 91 HD1 TYR 39 HD1 TYR 39 1.465 1.081 4.346 92 HD2 TYR 39 HD2 TYR 39 -1.891 -1.483 3.838 93 HE1 TYR 39 HE1 TYR 39 2.129 -0.177 6.354 94 HE2 TYR 39 HE2 TYR 39 -1.238 -2.748 5.841 95 HH TYR 39 HH TYR 39 0.069 -2.564 7.793 96 H HIS 40 H HIS 40 -0.457 -0.865 0.605 97 HA HIS 40 HA HIS 40 -1.065 0.637 -1.802 98 HD1 HIS 40 HD1 HIS 40 1.036 -2.863 -4.109 99 HD2 HIS 40 HD2 HIS 40 0.623 -2.737 0.022 100 HE1 HIS 40 HE1 HIS 40 1.480 -5.208 -3.316 101 HE2 HIS 40 HE2 HIS 40 1.224 -5.109 -0.812 102 H LEU 41 H LEU 41 -3.111 0.199 -2.137 103 HA LEU 41 HA LEU 41 -4.331 -2.228 -1.195 104 HG LEU 41 HG LEU 41 -6.760 -2.348 -2.346 105 H ILE 42 H ILE 42 -4.588 -4.043 -2.314 106 HA ILE 42 HA ILE 42 -3.898 -4.017 -5.160 107 HB ILE 42 HB ILE 42 -4.374 -6.557 -3.664 108 H GLY 43 H GLY 43 -5.112 -5.618 -6.540 109 H GLU 44 H GLU 44 -9.621 -5.324 -5.922 110 HA GLU 44 HA GLU 44 -10.012 -3.058 -7.676 111 H SER 45 H SER 45 -11.452 -1.239 -6.503 112 HA SER 45 HA SER 45 -10.435 -0.496 -3.900 113 HG SER 45 HG SER 45 -9.804 1.884 -3.718 114 H LYS 46 H LYS 46 -13.004 -0.998 -5.331 115 HA LYS 46 HA LYS 46 -14.387 1.337 -4.308 116 H SER 47 H SER 47 -16.803 1.003 -4.436 117 HA SER 47 HA SER 47 -17.659 -1.770 -4.513 118 HG SER 47 HG SER 47 -16.174 -2.128 -2.633 119 H TYR 48 H TYR 48 -19.515 -1.776 -5.606 120 HA TYR 48 HA TYR 48 -21.134 0.662 -5.582 121 HD1 TYR 48 HD1 TYR 48 -18.549 -0.999 -7.738 122 HD2 TYR 48 HD2 TYR 48 -21.657 1.789 -8.541 123 HE1 TYR 48 HE1 TYR 48 -16.947 0.427 -8.936 124 HE2 TYR 48 HE2 TYR 48 -20.064 3.225 -9.749 125 HH TYR 48 HH TYR 48 -16.872 3.070 -9.471 126 H CYS 49 H CYS 49 -22.834 0.700 -4.350 127 HA CYS 49 HA CYS 49 -23.870 -1.508 -2.967 128 H GLU 50 H GLU 50 -24.553 -3.197 -4.121 129 HA GLU 50 HA GLU 50 -26.628 -2.701 -6.151 130 H LEU 51 H LEU 51 -27.542 -5.185 -6.599 131 HA LEU 51 HA LEU 51 -28.820 -5.849 -4.047 132 HG LEU 51 HG LEU 51 -28.773 -7.164 -7.420 133 H GLY 52 H GLY 52 -28.960 -7.973 -3.309 134 H SER 53 H SER 53 -28.342 -12.120 -3.451 135 HA SER 53 HA SER 53 -29.024 -12.661 -6.230 136 HG SER 53 HG SER 53 -26.775 -15.046 -4.741 137 H THR 54 H THR 54 -30.493 -12.674 -3.025 138 HA THR 54 HA THR 54 -33.059 -13.492 -4.157 139 HB THR 54 HB THR 54 -33.721 -13.330 -1.645 140 HG1 THR 54 HG1 THR 54 -32.162 -12.597 -0.463 141 H GLY 55 H GLY 55 -32.188 -10.986 -5.005 142 H SER 56 H SER 56 -31.464 -9.695 -2.773 143 HA SER 56 HA SER 56 -32.344 -7.721 -0.839 144 HG SER 56 HG SER 56 -32.171 -8.713 0.952 145 H MET 57 H MET 57 -29.823 -6.887 0.112 146 HA MET 57 HA MET 57 -28.826 -5.253 -2.127 147 H VAL 58 H VAL 58 -26.665 -5.181 -2.386 148 HA VAL 58 HA VAL 58 -24.924 -6.025 -0.200 149 HB VAL 58 HB VAL 58 -23.636 -7.419 -1.976 150 H TRP 59 H TRP 59 -22.530 -6.020 -1.204 151 HA TRP 59 HA TRP 59 -22.247 -3.482 -2.676 152 HD1 TRP 59 HD1 TRP 59 -22.447 -3.904 1.487 153 HE1 TRP 59 HE1 TRP 59 -23.419 -1.659 2.264 154 HE3 TRP 59 HE3 TRP 59 -20.786 -0.918 -2.323 155 HZ2 TRP 59 HZ2 TRP 59 -23.497 1.018 1.378 156 HZ3 TRP 59 HZ3 TRP 59 -21.350 1.469 -2.276 157 HH2 TRP 59 HH2 TRP 59 -22.671 2.410 -0.475 158 H ASN 60 H ASN 60 -21.250 -3.695 -4.591 159 HA ASN 60 HA ASN 60 -19.245 -5.810 -4.905 160 HA PRO 61 HA PRO 61 -17.375 -6.149 -5.593 161 H GLU 62 H GLU 62 -15.653 -6.264 -3.582 162 HA GLU 62 HA GLU 62 -16.948 -4.777 -1.422 163 H ALA 63 H ALA 63 -14.941 -5.644 0.495 164 HA ALA 63 HA ALA 63 -13.076 -3.510 0.199 165 HA PRO 64 HA PRO 64 -10.309 -6.106 -2.260 166 H ILE 65 H ILE 65 -7.531 -5.308 -2.233 167 HA ILE 65 HA ILE 65 -6.802 -6.411 0.375 168 HB ILE 65 HB ILE 65 -4.874 -6.070 -1.869 169 H CYS 66 H CYS 66 -4.716 -5.671 1.312 170 HA CYS 66 HA CYS 66 -3.743 -3.058 0.657 171 H GLU 67 H GLU 67 -1.691 -2.787 1.394 172 HA GLU 67 HA GLU 67 -0.687 -4.156 3.696 173 H SER 68 H SER 68 1.852 -3.948 3.674 174 HA SER 68 HA SER 68 2.383 -1.144 3.053 175 HG SER 68 HG SER 68 4.049 -4.021 4.710 176 H VAL 69 H VAL 69 3.376 -0.647 1.244 177 HA VAL 69 HA VAL 69 4.370 -2.225 -0.697 178 HB VAL 69 HB VAL 69 5.946 -0.310 -1.282 179 H LYS 70 H LYS 70 5.516 -4.019 -0.037 180 HA LYS 70 HA LYS 70 7.761 -3.911 1.692 181 H CYS 71 H CYS 71 9.751 -3.254 1.271 182 HA CYS 71 HA CYS 71 10.666 -3.183 -1.522 183 H GLN 72 H GLN 72 11.919 -4.842 -2.071 184 HA GLN 72 HA GLN 72 13.079 -6.553 -0.132 185 H SER 73 H SER 73 15.590 -7.104 -1.408 186 HA SER 73 HA SER 73 17.338 -5.687 0.123 187 HG SER 73 HG SER 73 19.555 -6.518 -2.845 188 HA PRO 74 HA PRO 74 17.430 -1.546 -1.480 189 HA PRO 75 HA PRO 75 19.100 -1.325 -5.537 190 H SER 76 H SER 76 20.960 -1.825 -6.764 191 HA SER 76 HA SER 76 23.153 -2.979 -5.176 192 HG SER 76 HG SER 76 23.554 -5.306 -5.942 193 H ILE 77 H ILE 77 24.382 -1.095 -5.021 194 HA ILE 77 HA ILE 77 25.058 0.519 -7.253 195 HB ILE 77 HB ILE 77 26.686 1.582 -5.812 196 H SER 78 H SER 78 27.496 0.934 -7.692 197 HA SER 78 HA SER 78 28.637 -1.636 -8.501 198 HG SER 78 HG SER 78 29.624 2.017 -9.873 199 H ASN 79 H ASN 79 30.604 -2.343 -7.860 200 HA ASN 79 HA ASN 79 32.512 -2.536 -6.645 201 H GLY 80 H GLY 80 29.833 -2.468 -5.409 202 H ARG 81 H ARG 81 28.367 -2.181 -1.336 203 HA ARG 81 HA ARG 81 26.072 -3.319 -2.570 204 HE ARG 81 HE ARG 81 30.542 -6.279 -0.197 205 1HH1 ARG 81 1HH1 ARG 81 28.860 -9.149 -1.224 206 1HH2 ARG 81 1HH2 ARG 81 32.244 -7.678 0.393 207 H HIS 82 H HIS 82 24.625 -4.229 -0.567 208 HA HIS 82 HA HIS 82 24.588 -1.984 1.325 209 HD1 HIS 82 HD1 HIS 82 21.681 -5.381 1.553 210 HD2 HIS 82 HD2 HIS 82 22.507 -3.614 -2.116 211 HE1 HIS 82 HE1 HIS 82 21.015 -7.079 -0.178 212 HE2 HIS 82 HE2 HIS 82 21.522 -5.989 -2.391 213 H ASN 83 H ASN 83 23.450 -2.615 3.472 214 HA ASN 83 HA ASN 83 24.892 -4.938 4.536 215 H GLY 84 H GLY 84 21.981 -3.430 5.844 216 H TYR 85 H TYR 85 18.880 -5.902 7.514 217 HA TYR 85 HA TYR 85 20.622 -8.098 8.396 218 HD1 TYR 85 HD1 TYR 85 18.316 -4.716 9.474 219 HD2 TYR 85 HD2 TYR 85 21.738 -6.692 11.049 220 HE1 TYR 85 HE1 TYR 85 19.298 -2.538 10.056 221 HE2 TYR 85 HE2 TYR 85 22.730 -4.519 11.637 222 HH TYR 85 HH TYR 85 22.334 -1.974 10.592 223 H GLU 86 H GLU 86 17.426 -7.190 7.346 224 HA GLU 86 HA GLU 86 16.507 -9.960 7.447 225 H ASP 87 H ASP 87 14.764 -10.145 5.418 226 HA ASP 87 HA ASP 87 16.497 -10.001 3.053 227 H PHE 88 H PHE 88 13.556 -8.819 4.393 228 HA PHE 88 HA PHE 88 13.020 -7.367 1.891 229 HD1 PHE 88 HD1 PHE 88 12.176 -10.637 1.802 230 HD2 PHE 88 HD2 PHE 88 9.782 -7.277 0.773 231 HE1 PHE 88 HE1 PHE 88 11.712 -11.646 -0.391 232 HE2 PHE 88 HE2 PHE 88 9.311 -8.274 -1.416 233 HZ PHE 88 HZ PHE 88 10.276 -10.465 -2.010 234 H TYR 89 H TYR 89 11.359 -5.502 2.424 235 HA TYR 89 HA TYR 89 11.752 -4.372 5.068 236 HD1 TYR 89 HD1 TYR 89 14.257 -4.861 2.073 237 HD2 TYR 89 HD2 TYR 89 14.460 -2.771 5.774 238 HE1 TYR 89 HE1 TYR 89 16.494 -5.794 2.470 239 HE2 TYR 89 HE2 TYR 89 16.700 -3.701 6.180 240 HH TYR 89 HH TYR 89 17.974 -6.269 4.383 241 H THR 90 H THR 90 10.546 -2.304 5.330 242 HA THR 90 HA THR 90 8.280 -2.108 3.465 243 HB THR 90 HB THR 90 6.898 -1.588 5.584 244 HG1 THR 90 HG1 THR 90 7.807 -1.935 7.437 245 H ASP 91 H ASP 91 7.002 -0.055 3.858 246 HA ASP 91 HA ASP 91 8.603 2.166 3.457 247 H GLY 92 H GLY 92 10.153 2.477 4.923 248 H SER 93 H SER 93 11.785 1.779 5.593 249 HA SER 93 HA SER 93 13.228 0.875 7.993 250 HG SER 93 HG SER 93 11.253 -0.607 6.805 251 H VAL 94 H VAL 94 15.592 0.570 7.713 252 HA VAL 94 HA VAL 94 16.756 2.383 5.729 253 HB VAL 94 HB VAL 94 17.404 2.413 8.677 254 H VAL 95 H VAL 95 18.982 2.026 5.279 255 HA VAL 95 HA VAL 95 20.244 -0.373 6.324 256 HB VAL 95 HB VAL 95 19.812 -0.105 3.352 257 H THR 96 H THR 96 22.469 -0.422 5.992 258 HA THR 96 HA THR 96 23.607 2.101 5.017 259 HB THR 96 HB THR 96 25.636 0.762 6.347 260 HG1 THR 96 HG1 THR 96 24.620 0.179 8.335 261 H TYR 97 H TYR 97 24.976 2.139 3.347 262 HA TYR 97 HA TYR 97 25.419 -0.357 1.926 263 HD1 TYR 97 HD1 TYR 97 23.042 1.166 1.728 264 HD2 TYR 97 HD2 TYR 97 25.470 0.968 -1.759 265 HE1 TYR 97 HE1 TYR 97 21.077 0.527 0.404 266 HE2 TYR 97 HE2 TYR 97 23.506 0.332 -3.093 267 HH TYR 97 HH TYR 97 21.164 -0.878 -2.464 268 H SER 98 H SER 98 27.507 -0.839 0.967 269 HA SER 98 HA SER 98 29.861 0.391 2.096 270 HG SER 98 HG SER 98 29.601 -1.382 4.982 271 H CYS 99 H CYS 99 31.782 -0.213 1.047 272 HA CYS 99 HA CYS 99 31.389 -1.191 -1.627 273 H ASN 100 H ASN 100 32.693 -2.898 -2.596 274 HA ASN 100 HA ASN 100 32.676 -5.243 -0.944 275 H SER 101 H SER 101 35.149 -4.044 -3.214 276 HA SER 101 HA SER 101 37.217 -5.530 -1.942 277 HG SER 101 HG SER 101 38.551 -6.019 -3.821 278 H GLY 102 H GLY 102 35.960 -2.319 -1.565 279 H TYR 103 H TYR 103 35.622 -0.414 -1.796 280 HA TYR 103 HA TYR 103 37.210 1.781 -2.647 281 HD1 TYR 103 HD1 TYR 103 36.287 3.127 -5.292 282 HD2 TYR 103 HD2 TYR 103 35.453 -0.965 -4.466 283 HE1 TYR 103 HE1 TYR 103 37.241 2.496 -7.472 284 HE2 TYR 103 HE2 TYR 103 36.406 -1.604 -6.640 285 HH TYR 103 HH TYR 103 38.332 -0.208 -8.289 286 H SER 104 H SER 104 35.690 3.971 -2.691 287 HA SER 104 HA SER 104 35.334 4.622 0.159 288 HG SER 104 HG SER 104 37.964 6.584 -1.450 289 H LEU 105 H LEU 105 33.198 4.213 0.492 290 HA LEU 105 HA LEU 105 31.129 4.404 -1.235 291 HG LEU 105 HG LEU 105 29.124 4.035 -0.558 292 H ILE 106 H ILE 106 30.083 5.873 -2.249 293 HA ILE 106 HA ILE 106 30.721 8.680 -1.797 294 HB ILE 106 HB ILE 106 29.262 7.244 -4.004 295 H GLY 107 H GLY 107 29.085 10.273 -1.531 296 H ASN 108 H ASN 108 25.081 9.086 0.395 297 HA ASN 108 HA ASN 108 26.390 8.623 2.986 298 H SER 109 H SER 109 26.356 6.652 3.914 299 HA SER 109 HA SER 109 25.869 4.372 2.309 300 HG SER 109 HG SER 109 26.134 4.867 6.093 301 H GLY 110 H GLY 110 23.984 6.159 4.593 302 H VAL 111 H VAL 111 20.145 3.635 4.283 303 HA VAL 111 HA VAL 111 19.207 5.220 1.999 304 HB VAL 111 HB VAL 111 19.030 2.245 1.892 305 H LEU 112 H LEU 112 17.097 5.694 2.156 306 HA LEU 112 HA LEU 112 15.573 4.484 4.305 307 HG LEU 112 HG LEU 112 12.861 5.749 2.943 308 H CYS 113 H CYS 113 14.120 2.931 4.096 309 HA CYS 113 HA CYS 113 13.324 2.047 1.432 310 H SER 114 H SER 114 11.748 3.357 0.681 311 HA SER 114 HA SER 114 9.273 3.498 2.219 312 HG SER 114 HG SER 114 8.386 6.219 2.576 313 H GLY 115 H GLY 115 7.432 4.220 0.943 314 H GLY 116 H GLY 116 7.928 1.641 -0.232 315 H GLU 117 H GLU 117 10.034 2.104 -1.607 316 HA GLU 117 HA GLU 117 11.934 0.814 -3.401 317 H TRP 118 H TRP 118 13.993 2.377 -3.460 318 HA TRP 118 HA TRP 118 14.517 3.117 -0.663 319 HD1 TRP 118 HD1 TRP 118 15.037 -0.347 -2.810 320 HE1 TRP 118 HE1 TRP 118 14.810 -2.243 -1.087 321 HE3 TRP 118 HE3 TRP 118 16.760 2.103 1.334 322 HZ2 TRP 118 HZ2 TRP 118 15.301 -2.650 1.651 323 HZ3 TRP 118 HZ3 TRP 118 16.850 0.883 3.470 324 HH2 TRP 118 HH2 TRP 118 16.132 -1.448 3.623 325 H SER 119 H SER 119 15.888 4.908 -0.262 326 HA SER 119 HA SER 119 16.295 6.718 -2.539 327 HG SER 119 HG SER 119 13.574 7.593 0.161 328 H ASP 120 H ASP 120 17.893 8.360 -2.195 329 HA ASP 120 HA ASP 120 19.941 9.102 -1.579 330 HA PRO 121 HA PRO 121 21.690 4.705 -1.563 331 HA PRO 122 HA PRO 122 25.495 6.837 -2.541 332 H THR 123 H THR 123 27.830 5.997 -3.027 333 HA THR 123 HA THR 123 27.735 3.897 -5.091 334 HB THR 123 HB THR 123 29.654 6.067 -5.618 335 HG1 THR 123 HG1 THR 123 26.868 6.564 -5.813 336 H CYS 124 H CYS 124 30.355 3.787 -5.768 337 HA CYS 124 HA CYS 124 31.921 3.748 -3.319 338 H GLN 125 H GLN 125 33.125 5.368 -4.274 339 HA GLN 125 HA GLN 125 34.713 4.548 -6.610 340 H ILE 126 H ILE 126 36.705 6.133 -6.712 341 HA ILE 126 HA ILE 126 38.144 5.714 -4.189 342 HB ILE 126 HB ILE 126 39.227 6.097 -6.976 No H/Q in entry = 342 Start of MODEL 16 1 H ARG 7 H ARG 7 34.383 3.525 -0.673 2 HA ARG 7 HA ARG 7 33.510 2.810 -3.353 3 HE ARG 7 HE ARG 7 36.393 3.030 -0.626 4 1HH1 ARG 7 1HH1 ARG 7 37.441 -0.100 -1.738 5 1HH2 ARG 7 1HH2 ARG 7 36.898 2.280 1.466 6 H ARG 8 H ARG 8 31.418 3.748 -3.313 7 HA ARG 8 HA ARG 8 29.457 3.242 -1.380 8 HE ARG 8 HE ARG 8 29.905 6.966 -4.685 9 1HH1 ARG 8 1HH1 ARG 8 26.741 8.320 -4.141 10 1HH2 ARG 8 1HH2 ARG 8 30.309 8.827 -5.943 11 H CYS 9 H CYS 9 27.299 2.116 -2.132 12 HA CYS 9 HA CYS 9 28.009 -0.669 -2.581 13 HA PRO 10 HA PRO 10 26.476 -0.939 -6.696 14 H SER 11 H SER 11 24.500 -1.275 -8.027 15 HA SER 11 HA SER 11 22.377 0.273 -7.230 16 HG SER 11 HG SER 11 20.694 -0.538 -10.168 17 HA PRO 12 HA PRO 12 20.744 -2.591 -4.108 18 H ARG 13 H ARG 13 18.711 -3.614 -3.792 19 HA ARG 13 HA ARG 13 17.282 -4.250 -6.081 20 HE ARG 13 HE ARG 13 14.090 -7.743 -4.209 21 1HH1 ARG 13 1HH1 ARG 13 17.025 -9.547 -3.701 22 2HH2 ARG 13 2HH2 ARG 13 13.928 -11.169 -3.634 23 H ASP 14 H ASP 14 14.723 -3.959 -6.041 24 HA ASP 14 HA ASP 14 14.106 -1.136 -5.538 25 H ILE 15 H ILE 15 13.091 -4.321 -5.271 26 HA ILE 15 HA ILE 15 11.176 -5.375 -4.736 27 HB ILE 15 HB ILE 15 11.236 -3.656 -2.896 28 H ASP 16 H ASP 16 9.248 -6.006 -5.613 29 HA ASP 16 HA ASP 16 8.625 -4.819 -8.159 30 H ASN 17 H ASN 17 6.749 -5.484 -5.197 31 HA ASN 17 HA ASN 17 4.612 -3.768 -6.188 32 H GLY 18 H GLY 18 6.870 -2.324 -5.718 33 H GLN 19 H GLN 19 7.915 1.148 -3.239 34 HA GLN 19 HA GLN 19 10.087 1.132 -5.193 35 H LEU 20 H LEU 20 12.009 1.954 -4.389 36 HA LEU 20 HA LEU 20 12.043 2.329 -1.505 37 HG LEU 20 HG LEU 20 13.909 0.893 -4.445 38 H ASP 21 H ASP 21 13.677 3.924 -0.652 39 HA ASP 21 HA ASP 21 13.667 6.410 -2.227 40 H ILE 22 H ILE 22 15.785 6.105 -2.896 41 HA ILE 22 HA ILE 22 17.884 5.318 -1.203 42 HB ILE 22 HB ILE 22 18.041 6.815 -3.807 43 H GLY 23 H GLY 23 18.457 6.447 0.532 44 H GLY 24 H GLY 24 20.676 6.976 -0.323 45 H VAL 25 H VAL 25 24.370 6.459 -0.951 46 HA VAL 25 HA VAL 25 23.783 3.590 -0.606 47 HB VAL 25 HB VAL 25 24.574 3.240 -2.919 48 H ASP 26 H ASP 26 25.613 5.012 1.009 49 HA ASP 26 HA ASP 26 28.198 3.987 0.038 50 H PHE 27 H PHE 27 29.541 2.840 1.491 51 HA PHE 27 HA PHE 27 28.354 0.893 3.023 52 HD1 PHE 27 HD1 PHE 27 28.828 -0.634 4.331 53 HD2 PHE 27 HD2 PHE 27 32.756 0.981 4.631 54 HE1 PHE 27 HE1 PHE 27 29.331 -2.200 6.165 55 HE2 PHE 27 HE2 PHE 27 33.261 -0.578 6.465 56 HZ PHE 27 HZ PHE 27 31.549 -2.167 7.235 57 H GLY 28 H GLY 28 26.771 1.672 4.398 58 H SER 29 H SER 29 25.556 3.174 4.139 59 HA SER 29 HA SER 29 23.789 5.092 5.448 60 HG SER 29 HG SER 29 24.397 6.801 2.644 61 H SER 30 H SER 30 21.469 4.807 4.009 62 HA SER 30 HA SER 30 20.573 2.089 4.035 63 HG SER 30 HG SER 30 19.659 4.082 7.417 64 H ILE 31 H ILE 31 18.584 1.794 3.053 65 HA ILE 31 HA ILE 31 17.531 4.172 1.674 66 HB ILE 31 HB ILE 31 16.605 1.523 0.763 67 H THR 32 H THR 32 15.105 3.949 1.127 68 HA THR 32 HA THR 32 13.682 2.812 3.441 69 HB THR 32 HB THR 32 12.433 5.147 2.154 70 HG1 THR 32 HG1 THR 32 13.855 6.608 2.816 71 H TYR 33 H TYR 33 12.503 1.159 2.777 72 HA TYR 33 HA TYR 33 11.547 1.034 0.040 73 HD1 TYR 33 HD1 TYR 33 14.163 -0.321 1.480 74 HD2 TYR 33 HD2 TYR 33 11.240 -2.364 -0.833 75 HE1 TYR 33 HE1 TYR 33 15.946 -1.251 0.063 76 HE2 TYR 33 HE2 TYR 33 13.019 -3.304 -2.255 77 HH TYR 33 HH TYR 33 16.337 -2.259 -1.979 78 H SER 34 H SER 34 9.452 1.018 -0.640 79 HA SER 34 HA SER 34 7.289 1.223 1.292 80 HG SER 34 HG SER 34 7.637 4.656 1.379 81 H CYS 35 H CYS 35 5.157 1.075 0.263 82 HA CYS 35 HA CYS 35 5.224 -0.788 -1.924 83 H ASN 36 H ASN 36 3.487 -0.466 -3.703 84 HA ASN 36 HA ASN 36 4.268 1.862 -5.170 85 H SER 37 H SER 37 0.921 0.750 -4.995 86 HA SER 37 HA SER 37 0.053 3.233 -3.777 87 HG SER 37 HG SER 37 -1.336 4.948 -6.291 88 H GLY 38 H GLY 38 -1.815 3.007 -2.664 89 H TYR 39 H TYR 39 -0.827 0.798 -1.587 90 HA TYR 39 HA TYR 39 -1.536 -1.986 -0.933 91 HD1 TYR 39 HD1 TYR 39 -1.658 -1.711 -3.499 92 HD2 TYR 39 HD2 TYR 39 1.813 -3.876 -2.340 93 HE1 TYR 39 HE1 TYR 39 -2.148 -3.403 -5.215 94 HE2 TYR 39 HE2 TYR 39 1.337 -5.574 -4.051 95 HH TYR 39 HH TYR 39 -1.109 -5.121 -6.459 96 H HIS 40 H HIS 40 -0.047 -2.928 0.781 97 HA HIS 40 HA HIS 40 0.757 -0.929 2.754 98 HD1 HIS 40 HD1 HIS 40 -0.616 -3.981 5.861 99 HD2 HIS 40 HD2 HIS 40 -1.229 -4.661 1.809 100 HE1 HIS 40 HE1 HIS 40 -1.061 -6.447 5.653 101 HE2 HIS 40 HE2 HIS 40 -1.430 -6.837 3.193 102 H LEU 41 H LEU 41 2.823 -1.208 3.093 103 HA LEU 41 HA LEU 41 4.180 -3.628 2.388 104 HG LEU 41 HG LEU 41 6.675 -3.492 2.879 105 H ILE 42 H ILE 42 4.946 -5.201 3.697 106 HA ILE 42 HA ILE 42 4.370 -4.894 6.568 107 HB ILE 42 HB ILE 42 4.695 -7.618 5.422 108 H GLY 43 H GLY 43 5.793 -5.851 8.070 109 H GLU 44 H GLU 44 10.286 -5.816 7.130 110 HA GLU 44 HA GLU 44 10.636 -3.245 8.383 111 H SER 45 H SER 45 11.963 -1.652 6.847 112 HA SER 45 HA SER 45 10.878 -1.415 4.189 113 HG SER 45 HG SER 45 10.297 1.403 6.855 114 H LYS 46 H LYS 46 13.503 -1.541 5.660 115 HA LYS 46 HA LYS 46 14.726 0.712 4.276 116 H SER 47 H SER 47 16.489 0.082 3.258 117 HA SER 47 HA SER 47 17.809 -2.436 3.958 118 HG SER 47 HG SER 47 18.664 -3.414 2.311 119 H TYR 48 H TYR 48 20.069 -2.533 4.493 120 HA TYR 48 HA TYR 48 21.208 0.156 4.988 121 HD1 TYR 48 HD1 TYR 48 19.427 0.460 6.777 122 HD2 TYR 48 HD2 TYR 48 20.735 -3.393 8.001 123 HE1 TYR 48 HE1 TYR 48 17.288 0.115 7.943 124 HE2 TYR 48 HE2 TYR 48 18.601 -3.761 9.167 125 HH TYR 48 HH TYR 48 15.968 -2.388 8.660 126 H CYS 49 H CYS 49 22.771 0.591 3.711 127 HA CYS 49 HA CYS 49 24.181 -1.308 2.163 128 H GLU 50 H GLU 50 25.167 -2.839 3.388 129 HA GLU 50 HA GLU 50 27.276 -1.894 5.218 130 H LEU 51 H LEU 51 28.685 -4.142 5.637 131 HA LEU 51 HA LEU 51 29.917 -4.577 3.027 132 HG LEU 51 HG LEU 51 30.322 -6.221 6.188 133 H GLY 52 H GLY 52 30.435 -6.634 2.240 134 H SER 53 H SER 53 30.496 -10.794 2.124 135 HA SER 53 HA SER 53 31.486 -11.426 4.771 136 HG SER 53 HG SER 53 29.581 -12.930 2.528 137 H THR 54 H THR 54 32.830 -10.994 1.514 138 HA THR 54 HA THR 54 35.540 -11.065 2.578 139 HB THR 54 HB THR 54 36.282 -11.228 0.349 140 HG1 THR 54 HG1 THR 54 35.238 -9.558 -0.635 141 H GLY 55 H GLY 55 34.210 -8.953 3.642 142 H SER 56 H SER 56 32.962 -7.730 1.456 143 HA SER 56 HA SER 56 33.511 -5.687 -0.541 144 HG SER 56 HG SER 56 33.302 -6.935 -2.638 145 H MET 57 H MET 57 31.050 -5.239 -1.634 146 HA MET 57 HA MET 57 29.716 -3.690 0.470 147 H VAL 58 H VAL 58 27.622 -4.012 0.914 148 HA VAL 58 HA VAL 58 25.930 -5.490 -0.934 149 HB VAL 58 HB VAL 58 25.152 -6.893 1.119 150 H TRP 59 H TRP 59 23.681 -5.832 0.316 151 HA TRP 59 HA TRP 59 23.068 -3.311 1.704 152 HD1 TRP 59 HD1 TRP 59 23.283 -3.477 -2.369 153 HE1 TRP 59 HE1 TRP 59 23.777 -1.039 -3.035 154 HE3 TRP 59 HE3 TRP 59 20.947 -1.085 1.504 155 HZ2 TRP 59 HZ2 TRP 59 23.241 1.554 -2.050 156 HZ3 TRP 59 HZ3 TRP 59 20.988 1.374 1.567 157 HH2 TRP 59 HH2 TRP 59 22.110 2.658 -0.172 158 H ASN 60 H ASN 60 22.196 -3.618 3.617 159 HA ASN 60 HA ASN 60 21.376 -6.171 4.571 160 HA PRO 61 HA PRO 61 17.036 -6.987 4.220 161 H GLU 62 H GLU 62 16.886 -5.930 2.222 162 HA GLU 62 HA GLU 62 16.124 -3.115 2.221 163 H ALA 63 H ALA 63 15.015 -5.703 0.080 164 HA ALA 63 HA ALA 63 12.437 -4.536 -0.155 165 HA PRO 64 HA PRO 64 10.699 -7.000 3.232 166 H ILE 65 H ILE 65 7.898 -6.758 3.632 167 HA ILE 65 HA ILE 65 6.937 -8.182 1.284 168 HB ILE 65 HB ILE 65 5.108 -7.659 3.544 169 H CYS 66 H CYS 66 4.497 -7.714 0.806 170 HA CYS 66 HA CYS 66 3.531 -5.085 1.108 171 H GLU 67 H GLU 67 1.437 -4.860 0.353 172 HA GLU 67 HA GLU 67 0.275 -6.768 -1.451 173 H SER 68 H SER 68 -2.054 -6.342 -1.799 174 HA SER 68 HA SER 68 -2.544 -3.476 -1.651 175 HG SER 68 HG SER 68 -4.497 -6.389 -2.978 176 H VAL 69 H VAL 69 -3.744 -2.640 -0.107 177 HA VAL 69 HA VAL 69 -5.119 -4.054 1.846 178 HB VAL 69 HB VAL 69 -6.430 -1.826 2.113 179 H LYS 70 H LYS 70 -6.516 -5.611 0.999 180 HA LYS 70 HA LYS 70 -8.518 -4.912 -0.929 181 H CYS 71 H CYS 71 -10.613 -4.400 -0.632 182 HA CYS 71 HA CYS 71 -11.537 -4.118 2.150 183 H GLN 72 H GLN 72 -13.009 -5.488 2.827 184 HA GLN 72 HA GLN 72 -14.178 -7.408 1.098 185 H SER 73 H SER 73 -16.807 -7.604 2.133 186 HA SER 73 HA SER 73 -18.267 -6.166 0.306 187 HG SER 73 HG SER 73 -20.638 -6.186 3.049 188 HA PRO 74 HA PRO 74 -18.178 -1.961 1.667 189 HA PRO 75 HA PRO 75 -20.018 -1.475 5.619 190 H SER 76 H SER 76 -21.995 -1.659 6.741 191 HA SER 76 HA SER 76 -24.240 -2.510 5.042 192 HG SER 76 HG SER 76 -24.017 -3.627 8.880 193 H ILE 77 H ILE 77 -25.159 -0.469 4.752 194 HA ILE 77 HA ILE 77 -25.735 1.305 6.892 195 HB ILE 77 HB ILE 77 -27.137 2.511 5.308 196 H SER 78 H SER 78 -28.047 2.044 7.294 197 HA SER 78 HA SER 78 -29.603 -0.310 8.033 198 HG SER 78 HG SER 78 -28.909 2.160 10.584 199 H ASN 79 H ASN 79 -31.589 -0.785 7.255 200 HA ASN 79 HA ASN 79 -33.392 -0.788 5.873 201 H GLY 80 H GLY 80 -30.660 -1.079 4.857 202 H ARG 81 H ARG 81 -28.858 -1.087 0.897 203 HA ARG 81 HA ARG 81 -26.911 -2.614 2.257 204 HE ARG 81 HE ARG 81 -31.880 -6.021 -0.191 205 1HH1 ARG 81 1HH1 ARG 81 -28.502 -5.862 -1.019 206 1HH2 ARG 81 1HH2 ARG 81 -32.209 -6.728 -2.334 207 H HIS 82 H HIS 82 -25.624 -3.874 0.340 208 HA HIS 82 HA HIS 82 -25.084 -1.791 -1.653 209 HD1 HIS 82 HD1 HIS 82 -22.937 -5.649 -1.516 210 HD2 HIS 82 HD2 HIS 82 -23.226 -3.454 2.001 211 HE1 HIS 82 HE1 HIS 82 -22.548 -7.299 0.342 212 HE2 HIS 82 HE2 HIS 82 -22.727 -5.949 2.461 213 H ASN 83 H ASN 83 -23.990 -2.738 -3.695 214 HA ASN 83 HA ASN 83 -25.671 -4.968 -4.626 215 H GLY 84 H GLY 84 -22.730 -4.692 -3.390 216 H TYR 85 H TYR 85 -20.371 -7.355 -6.278 217 HA TYR 85 HA TYR 85 -22.143 -9.662 -5.886 218 HD1 TYR 85 HD1 TYR 85 -20.511 -6.776 -8.393 219 HD2 TYR 85 HD2 TYR 85 -23.997 -9.211 -8.486 220 HE1 TYR 85 HE1 TYR 85 -21.808 -4.875 -9.261 221 HE2 TYR 85 HE2 TYR 85 -25.305 -7.317 -9.355 222 HH TYR 85 HH TYR 85 -24.953 -5.225 -10.539 223 H GLU 86 H GLU 86 -18.864 -8.582 -5.842 224 HA GLU 86 HA GLU 86 -17.763 -11.250 -5.702 225 H ASP 87 H ASP 87 -15.841 -11.136 -3.838 226 HA ASP 87 HA ASP 87 -17.358 -10.842 -1.337 227 H PHE 88 H PHE 88 -14.553 -9.837 -3.060 228 HA PHE 88 HA PHE 88 -13.831 -8.110 -0.808 229 HD1 PHE 88 HD1 PHE 88 -12.943 -11.593 -0.428 230 HD2 PHE 88 HD2 PHE 88 -10.924 -7.959 0.464 231 HE1 PHE 88 HE1 PHE 88 -12.584 -12.364 1.878 232 HE2 PHE 88 HE2 PHE 88 -10.561 -8.719 2.767 233 HZ PHE 88 HZ PHE 88 -11.389 -10.927 3.485 234 H TYR 89 H TYR 89 -12.215 -6.412 -1.536 235 HA TYR 89 HA TYR 89 -12.437 -5.651 -4.334 236 HD1 TYR 89 HD1 TYR 89 -15.052 -5.791 -1.595 237 HD2 TYR 89 HD2 TYR 89 -15.001 -3.651 -5.274 238 HE1 TYR 89 HE1 TYR 89 -17.346 -6.542 -2.058 239 HE2 TYR 89 HE2 TYR 89 -17.295 -4.396 -5.745 240 HH TYR 89 HH TYR 89 -18.959 -6.688 -3.637 241 H THR 90 H THR 90 -11.094 -3.570 -4.698 242 HA THR 90 HA THR 90 -8.877 -3.461 -2.774 243 HB THR 90 HB THR 90 -7.350 -3.281 -4.835 244 HG1 THR 90 HG1 THR 90 -8.623 -3.198 -6.553 245 H ASP 91 H ASP 91 -7.300 -1.627 -3.489 246 HA ASP 91 HA ASP 91 -8.668 0.789 -3.229 247 H GLY 92 H GLY 92 -10.101 1.281 -4.709 248 H SER 93 H SER 93 -11.736 0.542 -5.388 249 HA SER 93 HA SER 93 -13.249 -0.305 -7.767 250 HG SER 93 HG SER 93 -11.729 -2.700 -6.389 251 H VAL 94 H VAL 94 -15.624 -0.379 -7.509 252 HA VAL 94 HA VAL 94 -16.653 1.560 -5.578 253 HB VAL 94 HB VAL 94 -17.202 1.689 -8.545 254 H VAL 95 H VAL 95 -18.955 1.480 -5.293 255 HA VAL 95 HA VAL 95 -20.391 -0.786 -6.395 256 HB VAL 95 HB VAL 95 -20.140 -0.525 -3.401 257 H THR 96 H THR 96 -22.638 -0.604 -6.168 258 HA THR 96 HA THR 96 -23.521 2.067 -5.322 259 HB THR 96 HB THR 96 -25.617 0.882 -6.733 260 HG1 THR 96 HG1 THR 96 -23.172 0.398 -8.084 261 H TYR 97 H TYR 97 -24.926 2.299 -3.714 262 HA TYR 97 HA TYR 97 -25.687 -0.087 -2.251 263 HD1 TYR 97 HD1 TYR 97 -23.253 0.990 -2.027 264 HD2 TYR 97 HD2 TYR 97 -25.695 1.613 1.404 265 HE1 TYR 97 HE1 TYR 97 -21.412 0.244 -0.587 266 HE2 TYR 97 HE2 TYR 97 -23.850 0.874 2.853 267 HH TYR 97 HH TYR 97 -21.179 0.833 2.555 268 H SER 98 H SER 98 -27.869 -0.338 -1.391 269 HA SER 98 HA SER 98 -29.982 1.042 -2.844 270 HG SER 98 HG SER 98 -28.339 -1.669 -4.342 271 H CYS 99 H CYS 99 -31.767 1.295 -1.658 272 HA CYS 99 HA CYS 99 -31.810 0.453 1.052 273 H ASN 100 H ASN 100 -33.650 -0.739 2.045 274 HA ASN 100 HA ASN 100 -34.234 -3.121 0.439 275 H SER 101 H SER 101 -36.131 -1.892 3.137 276 HA SER 101 HA SER 101 -38.605 -2.563 2.231 277 HG SER 101 HG SER 101 -39.331 -2.371 4.780 278 H GLY 102 H GLY 102 -36.660 0.109 1.146 279 H TYR 103 H TYR 103 -35.938 1.905 1.099 280 HA TYR 103 HA TYR 103 -36.933 4.543 1.547 281 HD1 TYR 103 HD1 TYR 103 -35.976 5.928 3.997 282 HD2 TYR 103 HD2 TYR 103 -35.801 1.679 3.839 283 HE1 TYR 103 HE1 TYR 103 -37.133 5.805 6.164 284 HE2 TYR 103 HE2 TYR 103 -36.958 1.544 6.005 285 HH TYR 103 HH TYR 103 -37.174 3.215 8.084 286 H SER 104 H SER 104 -34.906 6.248 1.346 287 HA SER 104 HA SER 104 -34.316 6.305 -1.533 288 HG SER 104 HG SER 104 -36.675 8.445 -1.030 289 H LEU 105 H LEU 105 -32.287 5.669 -1.827 290 HA LEU 105 HA LEU 105 -30.186 5.584 -0.105 291 HG LEU 105 HG LEU 105 -28.627 3.922 -2.895 292 H ILE 106 H ILE 106 -29.182 7.062 1.023 293 HA ILE 106 HA ILE 106 -29.162 9.842 0.103 294 HB ILE 106 HB ILE 106 -28.606 8.713 2.845 295 H GLY 107 H GLY 107 -27.179 11.104 0.536 296 H ASN 108 H ASN 108 -26.245 10.067 -1.823 297 HA ASN 108 HA ASN 108 -26.005 8.808 -3.685 298 H SER 109 H SER 109 -26.224 6.764 -4.043 299 HA SER 109 HA SER 109 -25.543 4.746 -2.286 300 HG SER 109 HG SER 109 -26.037 3.102 -5.789 301 H GLY 110 H GLY 110 -23.681 6.174 -4.838 302 H VAL 111 H VAL 111 -20.044 3.402 -4.365 303 HA VAL 111 HA VAL 111 -18.965 4.872 -2.068 304 HB VAL 111 HB VAL 111 -19.152 1.904 -1.918 305 H LEU 112 H LEU 112 -16.791 5.014 -2.126 306 HA LEU 112 HA LEU 112 -15.405 3.559 -4.235 307 HG LEU 112 HG LEU 112 -12.595 4.499 -2.964 308 H CYS 113 H CYS 113 -14.169 1.850 -3.900 309 HA CYS 113 HA CYS 113 -13.513 1.033 -1.183 310 H SER 114 H SER 114 -11.776 2.010 -0.349 311 HA SER 114 HA SER 114 -9.254 1.874 -1.742 312 HG SER 114 HG SER 114 -8.325 5.219 -1.634 313 H GLY 115 H GLY 115 -7.469 2.760 -0.357 314 H GLY 116 H GLY 116 -8.062 0.240 0.947 315 H GLU 117 H GLU 117 -10.330 0.884 2.140 316 HA GLU 117 HA GLU 117 -12.425 -0.281 3.778 317 H TRP 118 H TRP 118 -14.340 1.482 3.755 318 HA TRP 118 HA TRP 118 -14.671 2.214 0.927 319 HD1 TRP 118 HD1 TRP 118 -15.711 -1.122 3.108 320 HE1 TRP 118 HE1 TRP 118 -15.639 -3.049 1.409 321 HE3 TRP 118 HE3 TRP 118 -16.904 1.482 -1.128 322 HZ2 TRP 118 HZ2 TRP 118 -16.035 -3.420 -1.357 323 HZ3 TRP 118 HZ3 TRP 118 -17.033 0.263 -3.262 324 HH2 TRP 118 HH2 TRP 118 -16.607 -2.140 -3.372 325 H SER 119 H SER 119 -14.921 4.290 0.453 326 HA SER 119 HA SER 119 -15.469 6.153 2.659 327 HG SER 119 HG SER 119 -13.408 6.283 -0.641 328 H ASP 120 H ASP 120 -16.958 7.790 2.431 329 HA ASP 120 HA ASP 120 -18.805 8.882 1.694 330 HA PRO 121 HA PRO 121 -21.056 4.683 1.510 331 HA PRO 122 HA PRO 122 -24.634 7.301 1.835 332 H THR 123 H THR 123 -27.119 6.748 2.119 333 HA THR 123 HA THR 123 -27.547 4.986 4.413 334 HB THR 123 HB THR 123 -28.948 7.554 4.666 335 HG1 THR 123 HG1 THR 123 -26.127 7.443 4.921 336 H CYS 124 H CYS 124 -30.132 5.492 4.969 337 HA CYS 124 HA CYS 124 -31.583 5.514 2.437 338 H GLN 125 H GLN 125 -32.629 7.368 2.938 339 HA GLN 125 HA GLN 125 -34.490 7.223 5.206 340 H ILE 126 H ILE 126 -36.426 8.464 4.960 341 HA ILE 126 HA ILE 126 -37.421 8.359 2.251 342 HB ILE 126 HB ILE 126 -38.832 9.177 4.788 No H/Q in entry = 342 Start of MODEL 17 1 H ARG 7 H ARG 7 34.366 3.716 -4.465 2 HA ARG 7 HA ARG 7 33.153 1.868 -4.990 3 HE ARG 7 HE ARG 7 37.224 0.147 -1.890 4 1HH1 ARG 7 1HH1 ARG 7 37.320 -1.002 -5.180 5 1HH2 ARG 7 1HH2 ARG 7 39.441 0.607 -2.155 6 H ARG 8 H ARG 8 31.033 2.014 -5.268 7 HA ARG 8 HA ARG 8 29.304 2.697 -3.017 8 HE ARG 8 HE ARG 8 27.094 -0.001 -7.532 9 1HH1 ARG 8 1HH1 ARG 8 27.960 2.998 -9.081 10 1HH2 ARG 8 1HH2 ARG 8 27.410 -0.962 -9.576 11 H CYS 9 H CYS 9 27.110 1.511 -3.043 12 HA CYS 9 HA CYS 9 27.685 -1.277 -2.669 13 HA PRO 10 HA PRO 10 26.238 -2.911 -6.492 14 H SER 11 H SER 11 24.238 -3.976 -7.531 15 HA SER 11 HA SER 11 22.120 -2.249 -7.556 16 HG SER 11 HG SER 11 21.458 -6.077 -8.685 17 HA PRO 12 HA PRO 12 20.539 -2.873 -3.342 18 H ARG 13 H ARG 13 19.124 -4.332 -2.482 19 HA ARG 13 HA ARG 13 18.085 -6.387 -4.099 20 HE ARG 13 HE ARG 13 19.478 -9.831 -1.153 21 1HH1 ARG 13 1HH1 ARG 13 16.695 -9.741 0.939 22 1HH2 ARG 13 1HH2 ARG 13 20.085 -11.705 0.000 23 H ASP 14 H ASP 14 15.939 -6.930 -4.601 24 HA ASP 14 HA ASP 14 14.303 -4.567 -5.013 25 H ILE 15 H ILE 15 11.909 -5.261 -5.416 26 HA ILE 15 HA ILE 15 10.957 -7.055 -3.308 27 HB ILE 15 HB ILE 15 10.907 -4.866 -2.268 28 H ASP 16 H ASP 16 8.913 -7.952 -3.721 29 HA ASP 16 HA ASP 16 8.268 -8.072 -6.525 30 H ASN 17 H ASN 17 6.364 -7.369 -3.592 31 HA ASN 17 HA ASN 17 4.292 -6.176 -5.259 32 H GLY 18 H GLY 18 6.920 -4.867 -4.798 33 H GLN 19 H GLN 19 7.779 -0.617 -4.039 34 HA GLN 19 HA GLN 19 9.514 -1.140 -6.338 35 H LEU 20 H LEU 20 11.530 -0.371 -6.039 36 HA LEU 20 HA LEU 20 12.181 0.814 -3.522 37 HG LEU 20 HG LEU 20 13.272 -1.575 -5.949 38 H ASP 21 H ASP 21 13.517 2.719 -3.273 39 HA ASP 21 HA ASP 21 13.117 4.772 -5.337 40 H ILE 22 H ILE 22 15.322 4.013 -5.834 41 HA ILE 22 HA ILE 22 17.424 4.337 -3.945 42 HB ILE 22 HB ILE 22 17.612 4.102 -6.947 43 H GLY 23 H GLY 23 17.736 6.337 -3.148 44 H GLY 24 H GLY 24 19.967 6.319 -4.445 45 H VAL 25 H VAL 25 24.047 5.967 -4.829 46 HA VAL 25 HA VAL 25 23.435 3.424 -3.469 47 HB VAL 25 HB VAL 25 24.680 2.291 -5.324 48 H ASP 26 H ASP 26 25.608 5.975 -3.636 49 HA ASP 26 HA ASP 26 28.065 4.601 -3.342 50 H PHE 27 H PHE 27 29.416 4.475 -1.458 51 HA PHE 27 HA PHE 27 28.330 3.238 0.743 52 HD1 PHE 27 HD1 PHE 27 28.823 3.581 3.104 53 HD2 PHE 27 HD2 PHE 27 32.509 2.459 1.289 54 HE1 PHE 27 HE1 PHE 27 29.335 2.165 5.034 55 HE2 PHE 27 HE2 PHE 27 33.023 1.031 3.228 56 HZ PHE 27 HZ PHE 27 31.433 0.887 5.101 57 H GLY 28 H GLY 28 26.635 4.117 1.791 58 H SER 29 H SER 29 25.504 5.638 0.494 59 HA SER 29 HA SER 29 23.428 7.554 0.563 60 HG SER 29 HG SER 29 25.516 6.489 -1.383 61 H SER 30 H SER 30 21.072 6.952 0.192 62 HA SER 30 HA SER 30 20.323 4.571 1.723 63 HG SER 30 HG SER 30 18.487 7.994 2.197 64 H ILE 31 H ILE 31 18.343 3.669 1.246 65 HA ILE 31 HA ILE 31 17.060 4.688 -1.208 66 HB ILE 31 HB ILE 31 16.456 1.916 -0.457 67 H THR 32 H THR 32 14.714 3.821 -1.394 68 HA THR 32 HA THR 32 13.363 3.756 1.193 69 HB THR 32 HB THR 32 11.940 5.427 -0.739 70 HG1 THR 32 HG1 THR 32 13.375 6.932 -1.040 71 H TYR 33 H TYR 33 12.407 1.844 1.095 72 HA TYR 33 HA TYR 33 11.433 0.707 -1.349 73 HD1 TYR 33 HD1 TYR 33 14.005 -0.054 0.901 74 HD2 TYR 33 HD2 TYR 33 11.194 -2.657 -0.958 75 HE1 TYR 33 HE1 TYR 33 15.844 -1.490 0.127 76 HE2 TYR 33 HE2 TYR 33 13.031 -4.096 -1.735 77 HH TYR 33 HH TYR 33 15.851 -4.261 -0.561 78 H SER 34 H SER 34 9.335 0.431 -2.021 79 HA SER 34 HA SER 34 7.183 1.526 -0.370 80 HG SER 34 HG SER 34 8.179 4.298 -2.531 81 H CYS 35 H CYS 35 5.001 0.982 -1.318 82 HA CYS 35 HA CYS 35 5.077 -1.772 -2.236 83 H ASN 36 H ASN 36 3.462 -2.453 -3.921 84 HA ASN 36 HA ASN 36 3.990 -1.086 -6.333 85 H SER 37 H SER 37 0.673 -1.891 -5.437 86 HA SER 37 HA SER 37 -0.138 0.884 -5.404 87 HG SER 37 HG SER 37 0.093 0.684 -8.775 88 H GLY 38 H GLY 38 -1.873 1.170 -4.131 89 H TYR 39 H TYR 39 -0.873 -0.412 -2.338 90 HA TYR 39 HA TYR 39 -1.560 -2.627 -0.519 91 HD1 TYR 39 HD1 TYR 39 -1.936 -3.375 -2.847 92 HD2 TYR 39 HD2 TYR 39 1.704 -5.065 -1.442 93 HE1 TYR 39 HE1 TYR 39 -2.596 -5.554 -3.778 94 HE2 TYR 39 HE2 TYR 39 1.058 -7.249 -2.368 95 HH TYR 39 HH TYR 39 -1.760 -7.621 -4.399 96 H HIS 40 H HIS 40 0.103 -2.804 1.317 97 HA HIS 40 HA HIS 40 0.974 -0.161 2.228 98 HD1 HIS 40 HD1 HIS 40 -0.354 -1.919 6.347 99 HD2 HIS 40 HD2 HIS 40 -0.910 -3.894 2.738 100 HE1 HIS 40 HE1 HIS 40 -0.831 -4.312 6.957 101 HE2 HIS 40 HE2 HIS 40 -1.165 -5.490 4.756 102 H LEU 41 H LEU 41 3.070 -0.245 2.580 103 HA LEU 41 HA LEU 41 4.481 -2.717 2.849 104 HG LEU 41 HG LEU 41 6.995 -2.234 3.487 105 H ILE 42 H ILE 42 5.028 -3.750 4.653 106 HA ILE 42 HA ILE 42 4.477 -2.422 7.209 107 HB ILE 42 HB ILE 42 5.106 -5.335 7.037 108 H GLY 43 H GLY 43 5.951 -2.551 8.933 109 H GLU 44 H GLU 44 10.465 -2.626 8.118 110 HA GLU 44 HA GLU 44 10.814 0.197 8.178 111 H SER 45 H SER 45 11.844 1.244 6.132 112 HA SER 45 HA SER 45 10.704 0.440 3.612 113 HG SER 45 HG SER 45 8.288 2.775 2.962 114 H LYS 46 H LYS 46 13.305 1.035 4.886 115 HA LYS 46 HA LYS 46 14.334 2.760 2.793 116 H SER 47 H SER 47 16.568 2.522 2.434 117 HA SER 47 HA SER 47 17.886 0.339 3.894 118 HG SER 47 HG SER 47 16.919 0.104 0.060 119 H TYR 48 H TYR 48 20.102 0.581 4.172 120 HA TYR 48 HA TYR 48 21.179 3.165 3.285 121 HD1 TYR 48 HD1 TYR 48 19.500 3.989 4.450 122 HD2 TYR 48 HD2 TYR 48 21.035 1.952 7.854 123 HE1 TYR 48 HE1 TYR 48 17.476 4.584 5.709 124 HE2 TYR 48 HE2 TYR 48 19.014 2.541 9.125 125 HH TYR 48 HH TYR 48 16.933 4.888 8.286 126 H CYS 49 H CYS 49 22.882 3.169 2.047 127 HA CYS 49 HA CYS 49 24.173 0.736 1.281 128 H GLU 50 H GLU 50 25.707 -0.232 2.417 129 HA GLU 50 HA GLU 50 27.964 1.240 3.372 130 H LEU 51 H LEU 51 29.511 -0.204 4.486 131 HA LEU 51 HA LEU 51 29.780 -2.592 2.889 132 HG LEU 51 HG LEU 51 31.381 -2.087 6.061 133 H GLY 52 H GLY 52 29.787 -4.679 3.536 134 H SER 53 H SER 53 31.182 -6.985 4.686 135 HA SER 53 HA SER 53 29.943 -9.480 4.319 136 HG SER 53 HG SER 53 30.506 -9.977 1.006 137 H THR 54 H THR 54 32.086 -9.114 5.666 138 HA THR 54 HA THR 54 34.245 -9.757 5.964 139 HB THR 54 HB THR 54 35.089 -11.495 4.663 140 HG1 THR 54 HG1 THR 54 33.531 -10.715 2.441 141 H GLY 55 H GLY 55 33.383 -7.293 4.223 142 H SER 56 H SER 56 32.650 -6.270 2.725 143 HA SER 56 HA SER 56 33.214 -5.041 0.114 144 HG SER 56 HG SER 56 31.365 -6.977 -1.863 145 H MET 57 H MET 57 30.801 -4.616 -0.866 146 HA MET 57 HA MET 57 29.637 -2.724 1.004 147 H VAL 58 H VAL 58 27.344 -2.547 1.209 148 HA VAL 58 HA VAL 58 25.649 -4.712 0.359 149 HB VAL 58 HB VAL 58 25.012 -5.205 2.811 150 H TRP 59 H TRP 59 23.494 -4.513 1.830 151 HA TRP 59 HA TRP 59 22.870 -1.657 2.122 152 HD1 TRP 59 HD1 TRP 59 23.003 -3.603 -1.511 153 HE1 TRP 59 HE1 TRP 59 23.545 -1.734 -3.199 154 HE3 TRP 59 HE3 TRP 59 20.863 0.344 0.929 155 HZ2 TRP 59 HZ2 TRP 59 23.118 1.047 -3.456 156 HZ3 TRP 59 HZ3 TRP 59 20.972 2.568 -0.107 157 HH2 TRP 59 HH2 TRP 59 22.069 2.910 -2.238 158 H ASN 60 H ASN 60 21.931 -1.196 4.007 159 HA ASN 60 HA ASN 60 20.152 -3.117 5.272 160 HA PRO 61 HA PRO 61 18.412 -3.148 6.616 161 H GLU 62 H GLU 62 16.573 -4.209 5.141 162 HA GLU 62 HA GLU 62 17.497 -3.936 2.374 163 H ALA 63 H ALA 63 15.247 -5.942 1.716 164 HA ALA 63 HA ALA 63 13.247 -3.945 1.144 165 HA PRO 64 HA PRO 64 10.982 -5.260 4.817 166 H ILE 65 H ILE 65 8.134 -4.781 4.790 167 HA ILE 65 HA ILE 65 7.329 -7.028 3.099 168 HB ILE 65 HB ILE 65 5.627 -5.818 5.231 169 H CYS 66 H CYS 66 5.074 -6.957 2.252 170 HA CYS 66 HA CYS 66 3.812 -4.435 1.815 171 H GLU 67 H GLU 67 1.717 -4.907 1.860 172 HA GLU 67 HA GLU 67 0.784 -7.347 0.518 173 H SER 68 H SER 68 -1.684 -7.361 0.426 174 HA SER 68 HA SER 68 -2.536 -4.750 -0.556 175 HG SER 68 HG SER 68 -5.286 -7.383 -1.050 176 H VAL 69 H VAL 69 -3.290 -3.500 1.038 177 HA VAL 69 HA VAL 69 -4.523 -4.329 3.382 178 HB VAL 69 HB VAL 69 -3.513 -2.181 3.240 179 H LYS 70 H LYS 70 -6.120 -5.830 2.865 180 HA LYS 70 HA LYS 70 -8.171 -5.476 0.992 181 H CYS 71 H CYS 71 -10.410 -5.104 1.285 182 HA CYS 71 HA CYS 71 -11.095 -3.477 3.644 183 H GLN 72 H GLN 72 -12.729 -4.233 4.833 184 HA GLN 72 HA GLN 72 -14.026 -6.659 4.056 185 H SER 73 H SER 73 -16.621 -6.211 5.136 186 HA SER 73 HA SER 73 -18.072 -5.542 2.897 187 HG SER 73 HG SER 73 -20.429 -4.426 5.527 188 HA PRO 74 HA PRO 74 -17.626 -1.169 2.409 189 HA PRO 75 HA PRO 75 -19.218 1.107 5.808 190 H SER 76 H SER 76 -21.117 1.426 7.037 191 HA SER 76 HA SER 76 -23.437 -0.073 6.027 192 HG SER 76 HG SER 76 -22.556 -1.967 8.750 193 H ILE 77 H ILE 77 -24.436 1.653 4.969 194 HA ILE 77 HA ILE 77 -24.942 4.157 6.210 195 HB ILE 77 HB ILE 77 -26.471 4.592 4.367 196 H SER 78 H SER 78 -27.328 4.944 6.314 197 HA SER 78 HA SER 78 -28.706 3.115 8.129 198 HG SER 78 HG SER 78 -27.405 4.876 9.215 199 H ASN 79 H ASN 79 -30.728 2.344 7.795 200 HA ASN 79 HA ASN 79 -32.566 1.660 6.656 201 H GLY 80 H GLY 80 -29.887 1.161 5.553 202 H ARG 81 H ARG 81 -28.493 -0.444 1.740 203 HA ARG 81 HA ARG 81 -26.538 -1.597 3.468 204 HE ARG 81 HE ARG 81 -29.392 -6.491 2.129 205 1HH1 ARG 81 1HH1 ARG 81 -31.583 -3.943 1.216 206 1HH2 ARG 81 1HH2 ARG 81 -30.167 -7.599 0.293 207 H HIS 82 H HIS 82 -25.401 -3.464 2.014 208 HA HIS 82 HA HIS 82 -24.893 -2.183 -0.587 209 HD1 HIS 82 HD1 HIS 82 -23.580 -2.963 3.233 210 HD2 HIS 82 HD2 HIS 82 -21.932 -5.711 0.586 211 HE1 HIS 82 HE1 HIS 82 -22.821 -4.895 4.654 212 HE2 HIS 82 HE2 HIS 82 -21.828 -6.546 3.032 213 H ASN 83 H ASN 83 -23.951 -3.754 -2.231 214 HA ASN 83 HA ASN 83 -25.442 -6.299 -2.104 215 H GLY 84 H GLY 84 -23.235 -6.771 -0.970 216 H TYR 85 H TYR 85 -20.147 -9.282 -3.251 217 HA TYR 85 HA TYR 85 -21.965 -11.537 -2.754 218 HD1 TYR 85 HD1 TYR 85 -23.010 -9.937 -4.298 219 HD2 TYR 85 HD2 TYR 85 -19.765 -10.726 -6.934 220 HE1 TYR 85 HE1 TYR 85 -23.813 -8.170 -5.806 221 HE2 TYR 85 HE2 TYR 85 -20.559 -8.961 -8.450 222 HH TYR 85 HH TYR 85 -22.885 -7.850 -8.924 223 H GLU 86 H GLU 86 -18.717 -10.369 -2.447 224 HA GLU 86 HA GLU 86 -17.785 -12.911 -1.365 225 H ASP 87 H ASP 87 -15.951 -12.215 0.466 226 HA ASP 87 HA ASP 87 -17.577 -11.001 2.588 227 H PHE 88 H PHE 88 -14.645 -10.700 0.802 228 HA PHE 88 HA PHE 88 -14.005 -8.275 2.326 229 HD1 PHE 88 HD1 PHE 88 -13.341 -11.273 3.934 230 HD2 PHE 88 HD2 PHE 88 -10.912 -7.808 3.511 231 HE1 PHE 88 HE1 PHE 88 -13.029 -11.198 6.371 232 HE2 PHE 88 HE2 PHE 88 -10.596 -7.725 5.942 233 HZ PHE 88 HZ PHE 88 -11.654 -9.422 7.383 234 H TYR 89 H TYR 89 -12.236 -7.003 1.049 235 HA TYR 89 HA TYR 89 -12.552 -7.225 -1.837 236 HD1 TYR 89 HD1 TYR 89 -14.992 -6.232 0.904 237 HD2 TYR 89 HD2 TYR 89 -15.080 -5.554 -3.295 238 HE1 TYR 89 HE1 TYR 89 -17.337 -6.964 0.841 239 HE2 TYR 89 HE2 TYR 89 -17.426 -6.284 -3.369 240 HH TYR 89 HH TYR 89 -18.873 -8.026 -1.446 241 H THR 90 H THR 90 -11.104 -5.630 -2.983 242 HA THR 90 HA THR 90 -8.776 -4.952 -1.315 243 HB THR 90 HB THR 90 -7.386 -5.583 -3.371 244 HG1 THR 90 HG1 THR 90 -9.352 -5.783 -4.701 245 H ASP 91 H ASP 91 -7.205 -3.523 -2.606 246 HA ASP 91 HA ASP 91 -8.463 -1.103 -3.163 247 H GLY 92 H GLY 92 -9.969 -1.126 -4.686 248 H SER 93 H SER 93 -11.516 -2.201 -4.982 249 HA SER 93 HA SER 93 -13.194 -3.685 -6.872 250 HG SER 93 HG SER 93 -11.708 -5.412 -4.836 251 H VAL 94 H VAL 94 -15.544 -3.491 -6.691 252 HA VAL 94 HA VAL 94 -16.419 -0.906 -5.618 253 HB VAL 94 HB VAL 94 -17.004 -1.955 -8.388 254 H VAL 95 H VAL 95 -18.693 -0.737 -5.224 255 HA VAL 95 HA VAL 95 -20.280 -3.172 -5.290 256 HB VAL 95 HB VAL 95 -19.816 -1.729 -2.680 257 H THR 96 H THR 96 -22.521 -2.785 -5.032 258 HA THR 96 HA THR 96 -23.254 0.047 -5.328 259 HB THR 96 HB THR 96 -25.449 -1.507 -6.100 260 HG1 THR 96 HG1 THR 96 -24.614 -2.994 -7.510 261 H TYR 97 H TYR 97 -24.629 0.964 -3.939 262 HA TYR 97 HA TYR 97 -25.456 -0.614 -1.635 263 HD1 TYR 97 HD1 TYR 97 -22.811 0.596 -1.979 264 HD2 TYR 97 HD2 TYR 97 -25.280 2.049 1.165 265 HE1 TYR 97 HE1 TYR 97 -20.955 0.316 -0.405 266 HE2 TYR 97 HE2 TYR 97 -23.423 1.778 2.751 267 HH TYR 97 HH TYR 97 -21.275 0.207 2.802 268 H SER 98 H SER 98 -27.587 -0.450 -0.764 269 HA SER 98 HA SER 98 -29.688 0.608 -2.460 270 HG SER 98 HG SER 98 -29.415 -3.345 -1.873 271 H CYS 99 H CYS 99 -31.596 0.996 -1.382 272 HA CYS 99 HA CYS 99 -31.417 1.167 1.455 273 H ASN 100 H ASN 100 -32.983 0.286 2.978 274 HA ASN 100 HA ASN 100 -33.441 -2.520 2.447 275 H SER 101 H SER 101 -35.528 -0.126 4.076 276 HA SER 101 HA SER 101 -37.891 -1.572 3.502 277 HG SER 101 HG SER 101 -39.832 -0.337 4.403 278 H GLY 102 H GLY 102 -36.098 0.747 1.700 279 H TYR 103 H TYR 103 -35.544 2.531 1.230 280 HA TYR 103 HA TYR 103 -36.616 5.131 0.876 281 HD1 TYR 103 HD1 TYR 103 -35.637 7.144 2.945 282 HD2 TYR 103 HD2 TYR 103 -35.266 2.981 3.742 283 HE1 TYR 103 HE1 TYR 103 -36.701 7.475 5.138 284 HE2 TYR 103 HE2 TYR 103 -36.328 3.300 5.936 285 HH TYR 103 HH TYR 103 -36.497 5.744 7.561 286 H SER 104 H SER 104 -34.616 6.760 0.088 287 HA SER 104 HA SER 104 -34.267 6.019 -2.728 288 HG SER 104 HG SER 104 -33.082 9.362 -2.123 289 H LEU 105 H LEU 105 -32.316 5.171 -3.014 290 HA LEU 105 HA LEU 105 -30.022 5.446 -1.555 291 HG LEU 105 HG LEU 105 -28.747 3.031 -3.877 292 H ILE 106 H ILE 106 -29.121 7.275 -0.911 293 HA ILE 106 HA ILE 106 -29.219 9.666 -2.533 294 HB ILE 106 HB ILE 106 -27.958 9.165 0.157 295 H GLY 107 H GLY 107 -27.280 10.906 -3.030 296 H ASN 108 H ASN 108 -23.735 8.244 -3.788 297 HA ASN 108 HA ASN 108 -24.912 7.212 -6.284 298 H SER 109 H SER 109 -25.331 5.078 -6.337 299 HA SER 109 HA SER 109 -25.206 3.551 -3.963 300 HG SER 109 HG SER 109 -26.147 1.681 -7.418 301 H GLY 110 H GLY 110 -23.162 3.840 -6.774 302 H VAL 111 H VAL 111 -19.761 1.242 -5.127 303 HA VAL 111 HA VAL 111 -18.587 3.603 -3.820 304 HB VAL 111 HB VAL 111 -18.641 0.942 -2.468 305 H LEU 112 H LEU 112 -16.307 3.443 -3.372 306 HA LEU 112 HA LEU 112 -14.988 1.480 -5.125 307 HG LEU 112 HG LEU 112 -12.175 2.776 -4.351 308 H CYS 113 H CYS 113 -13.931 -0.084 -4.142 309 HA CYS 113 HA CYS 113 -13.121 0.181 -1.367 310 H SER 114 H SER 114 -11.397 1.535 -1.277 311 HA SER 114 HA SER 114 -8.979 0.698 -2.720 312 HG SER 114 HG SER 114 -10.550 4.357 -3.198 313 H GLY 115 H GLY 115 -6.997 1.148 -1.709 314 H GLY 116 H GLY 116 -8.046 -0.540 0.352 315 H GLU 117 H GLU 117 -9.560 1.226 1.677 316 HA GLU 117 HA GLU 117 -11.851 0.915 3.496 317 H TRP 118 H TRP 118 -13.649 2.542 2.803 318 HA TRP 118 HA TRP 118 -14.048 2.215 -0.090 319 HD1 TRP 118 HD1 TRP 118 -15.045 0.125 3.289 320 HE1 TRP 118 HE1 TRP 118 -15.147 -2.349 2.592 321 HE3 TRP 118 HE3 TRP 118 -16.510 0.711 -1.575 322 HZ2 TRP 118 HZ2 TRP 118 -15.775 -3.852 0.293 323 HZ3 TRP 118 HZ3 TRP 118 -16.840 -1.301 -2.955 324 HH2 TRP 118 HH2 TRP 118 -16.479 -3.536 -2.038 325 H SER 119 H SER 119 -15.106 3.894 -1.248 326 HA SER 119 HA SER 119 -15.226 6.488 0.123 327 HG SER 119 HG SER 119 -12.201 5.727 -1.932 328 H ASP 120 H ASP 120 -16.677 7.976 -0.704 329 HA ASP 120 HA ASP 120 -18.504 8.768 -1.786 330 HA PRO 121 HA PRO 121 -20.925 4.953 -0.338 331 HA PRO 122 HA PRO 122 -24.407 7.718 -0.705 332 H THR 123 H THR 123 -26.847 7.521 -0.061 333 HA THR 123 HA THR 123 -27.087 6.581 2.714 334 HB THR 123 HB THR 123 -28.607 9.015 2.254 335 HG1 THR 123 HG1 THR 123 -25.782 9.230 2.159 336 H CYS 124 H CYS 124 -29.661 7.233 3.240 337 HA CYS 124 HA CYS 124 -31.277 6.383 0.974 338 H GLN 125 H GLN 125 -32.359 8.308 1.004 339 HA GLN 125 HA GLN 125 -33.986 8.825 3.400 340 H ILE 126 H ILE 126 -35.983 10.127 2.844 341 HA ILE 126 HA ILE 126 -37.332 8.776 0.633 342 HB ILE 126 HB ILE 126 -38.469 10.426 2.891 No H/Q in entry = 342 Start of MODEL 18 1 H ARG 7 H ARG 7 35.455 1.411 -0.771 2 HA ARG 7 HA ARG 7 33.914 1.553 -3.110 3 HE ARG 7 HE ARG 7 38.404 -2.195 -2.836 4 1HH1 ARG 7 1HH1 ARG 7 36.636 -0.130 -5.013 5 1HH2 ARG 7 1HH2 ARG 7 40.267 -1.528 -3.969 6 H ARG 8 H ARG 8 31.884 2.282 -3.127 7 HA ARG 8 HA ARG 8 30.071 1.998 -0.951 8 HE ARG 8 HE ARG 8 31.062 6.389 -2.098 9 1HH1 ARG 8 1HH1 ARG 8 28.303 7.335 -4.000 10 1HH2 ARG 8 1HH2 ARG 8 31.517 8.617 -1.939 11 H CYS 9 H CYS 9 27.814 1.045 -1.397 12 HA CYS 9 HA CYS 9 28.177 -1.749 -1.953 13 HA PRO 10 HA PRO 10 26.823 -1.917 -6.128 14 H SER 11 H SER 11 24.886 -2.025 -7.567 15 HA SER 11 HA SER 11 23.026 -0.107 -6.946 16 HG SER 11 HG SER 11 22.218 -2.998 -9.626 17 HA PRO 12 HA PRO 12 20.781 -2.234 -3.632 18 H ARG 13 H ARG 13 18.895 -3.485 -3.533 19 HA ARG 13 HA ARG 13 17.947 -4.497 -6.026 20 HE ARG 13 HE ARG 13 15.575 -8.694 -5.906 21 1HH1 ARG 13 1HH1 ARG 13 18.823 -8.887 -4.666 22 1HH2 ARG 13 1HH2 ARG 13 16.206 -10.330 -7.366 23 H ASP 14 H ASP 14 15.798 -4.487 -6.776 24 HA ASP 14 HA ASP 14 14.531 -1.933 -6.300 25 H ILE 15 H ILE 15 12.021 -2.183 -6.950 26 HA ILE 15 HA ILE 15 10.761 -4.398 -5.554 27 HB ILE 15 HB ILE 15 11.201 -2.818 -3.734 28 H ASP 16 H ASP 16 8.629 -4.714 -6.143 29 HA ASP 16 HA ASP 16 7.772 -3.276 -8.516 30 H ASN 17 H ASN 17 5.544 -2.486 -8.673 31 HA ASN 17 HA ASN 17 4.066 -0.869 -7.977 32 H GLY 18 H GLY 18 6.786 -0.520 -6.981 33 H GLN 19 H GLN 19 8.274 2.497 -4.135 34 HA GLN 19 HA GLN 19 10.241 2.648 -6.301 35 H LEU 20 H LEU 20 12.295 2.890 -5.616 36 HA LEU 20 HA LEU 20 12.815 2.716 -2.801 37 HG LEU 20 HG LEU 20 14.598 0.856 -2.832 38 H ASP 21 H ASP 21 14.350 4.093 -1.684 39 HA ASP 21 HA ASP 21 14.476 6.847 -2.709 40 H ILE 22 H ILE 22 16.635 6.052 -3.325 41 HA ILE 22 HA ILE 22 18.523 5.274 -1.358 42 HB ILE 22 HB ILE 22 19.026 6.356 -4.127 43 H GLY 23 H GLY 23 19.438 6.466 0.119 44 H GLY 24 H GLY 24 21.562 6.577 -0.403 45 H VAL 25 H VAL 25 25.152 5.793 -0.790 46 HA VAL 25 HA VAL 25 24.294 3.007 -0.383 47 HB VAL 25 HB VAL 25 25.398 2.540 -2.576 48 H ASP 26 H ASP 26 26.249 4.635 1.200 49 HA ASP 26 HA ASP 26 28.716 3.142 0.657 50 H PHE 27 H PHE 27 29.707 1.884 2.232 51 HA PHE 27 HA PHE 27 28.148 0.268 3.799 52 HD1 PHE 27 HD1 PHE 27 28.259 -1.116 5.282 53 HD2 PHE 27 HD2 PHE 27 32.430 -0.340 5.620 54 HE1 PHE 27 HE1 PHE 27 28.381 -2.629 7.217 55 HE2 PHE 27 HE2 PHE 27 32.558 -1.851 7.557 56 HZ PHE 27 HZ PHE 27 30.532 -2.997 8.358 57 H GLY 28 H GLY 28 26.656 1.186 5.125 58 H SER 29 H SER 29 25.490 2.688 4.738 59 HA SER 29 HA SER 29 23.923 4.901 5.850 60 HG SER 29 HG SER 29 24.675 6.628 3.489 61 H SER 30 H SER 30 21.756 4.648 3.977 62 HA SER 30 HA SER 30 20.554 2.086 4.181 63 HG SER 30 HG SER 30 20.364 4.151 7.375 64 H ILE 31 H ILE 31 18.646 1.916 3.045 65 HA ILE 31 HA ILE 31 17.924 4.293 1.465 66 HB ILE 31 HB ILE 31 16.856 1.680 0.606 67 H THR 32 H THR 32 15.569 4.320 0.766 68 HA THR 32 HA THR 32 13.830 3.308 2.913 69 HB THR 32 HB THR 32 12.850 5.778 1.744 70 HG1 THR 32 HG1 THR 32 15.247 5.979 3.236 71 H TYR 33 H TYR 33 12.297 2.022 2.156 72 HA TYR 33 HA TYR 33 11.683 2.096 -0.699 73 HD1 TYR 33 HD1 TYR 33 13.942 0.412 0.954 74 HD2 TYR 33 HD2 TYR 33 11.119 -1.314 -1.718 75 HE1 TYR 33 HE1 TYR 33 15.771 -0.728 -0.229 76 HE2 TYR 33 HE2 TYR 33 12.941 -2.463 -2.909 77 HH TYR 33 HH TYR 33 16.052 -1.654 -2.725 78 H SER 34 H SER 34 9.591 2.191 -1.525 79 HA SER 34 HA SER 34 7.374 2.740 0.272 80 HG SER 34 HG SER 34 6.168 5.026 0.086 81 H CYS 35 H CYS 35 5.301 2.718 -0.813 82 HA CYS 35 HA CYS 35 5.305 0.908 -3.062 83 H ASN 36 H ASN 36 3.679 1.345 -4.861 84 HA ASN 36 HA ASN 36 4.501 3.704 -6.219 85 H SER 37 H SER 37 1.097 2.778 -6.074 86 HA SER 37 HA SER 37 0.368 5.201 -4.669 87 HG SER 37 HG SER 37 0.236 7.142 -7.476 88 H GLY 38 H GLY 38 -1.425 4.895 -3.496 89 H TYR 39 H TYR 39 -0.642 2.595 -2.715 90 HA TYR 39 HA TYR 39 -1.572 -0.148 -2.181 91 HD1 TYR 39 HD1 TYR 39 -1.779 0.250 -4.523 92 HD2 TYR 39 HD2 TYR 39 1.750 -2.047 -3.925 93 HE1 TYR 39 HE1 TYR 39 -2.418 -1.207 -6.398 94 HE2 TYR 39 HE2 TYR 39 1.122 -3.513 -5.797 95 HH TYR 39 HH TYR 39 -0.621 -2.955 -8.065 96 H HIS 40 H HIS 40 0.044 -1.250 -0.548 97 HA HIS 40 HA HIS 40 0.789 0.604 1.579 98 HD1 HIS 40 HD1 HIS 40 -1.146 -2.658 4.334 99 HD2 HIS 40 HD2 HIS 40 -1.069 -2.892 0.188 100 HE1 HIS 40 HE1 HIS 40 -1.668 -5.056 3.786 101 HE2 HIS 40 HE2 HIS 40 -1.615 -5.176 1.270 102 H LEU 41 H LEU 41 2.845 0.225 1.944 103 HA LEU 41 HA LEU 41 4.063 -2.288 1.266 104 HG LEU 41 HG LEU 41 6.556 -2.303 1.959 105 H ILE 42 H ILE 42 4.236 -3.977 2.575 106 HA ILE 42 HA ILE 42 3.792 -3.580 5.446 107 HB ILE 42 HB ILE 42 4.000 -6.314 4.278 108 H GLY 43 H GLY 43 5.016 -5.112 6.896 109 H GLU 44 H GLU 44 9.528 -5.167 6.057 110 HA GLU 44 HA GLU 44 10.103 -2.777 7.563 111 H SER 45 H SER 45 11.630 -1.236 6.031 112 HA SER 45 HA SER 45 10.558 -0.662 3.457 113 HG SER 45 HG SER 45 9.194 2.364 3.725 114 H LYS 46 H LYS 46 13.125 -1.038 4.871 115 HA LYS 46 HA LYS 46 14.518 1.190 3.685 116 H SER 47 H SER 47 16.386 0.480 2.858 117 HA SER 47 HA SER 47 17.381 -2.163 3.633 118 HG SER 47 HG SER 47 18.786 -3.068 1.933 119 H TYR 48 H TYR 48 19.487 -2.499 4.448 120 HA TYR 48 HA TYR 48 20.880 0.035 5.091 121 HD1 TYR 48 HD1 TYR 48 19.006 0.599 6.684 122 HD2 TYR 48 HD2 TYR 48 19.612 -3.398 7.996 123 HE1 TYR 48 HE1 TYR 48 16.734 0.573 7.631 124 HE2 TYR 48 HE2 TYR 48 17.344 -3.444 8.943 125 HH TYR 48 HH TYR 48 15.497 -0.678 9.419 126 H CYS 49 H CYS 49 22.640 0.287 4.017 127 HA CYS 49 HA CYS 49 23.959 -1.823 2.635 128 H GLU 50 H GLU 50 24.817 -3.357 3.918 129 HA GLU 50 HA GLU 50 26.830 -2.471 5.881 130 H LEU 51 H LEU 51 28.098 -4.765 6.448 131 HA LEU 51 HA LEU 51 29.488 -5.319 3.945 132 HG LEU 51 HG LEU 51 29.557 -7.098 7.089 133 H GLY 52 H GLY 52 29.832 -7.380 3.127 134 H SER 53 H SER 53 29.814 -11.471 3.087 135 HA SER 53 HA SER 53 30.104 -12.171 5.901 136 HG SER 53 HG SER 53 28.716 -14.324 5.536 137 H THR 54 H THR 54 32.096 -11.837 2.988 138 HA THR 54 HA THR 54 34.514 -12.082 4.625 139 HB THR 54 HB THR 54 35.709 -12.259 2.480 140 HG1 THR 54 HG1 THR 54 34.446 -11.039 1.129 141 H GLY 55 H GLY 55 33.080 -9.766 5.067 142 H SER 56 H SER 56 32.417 -8.845 2.687 143 HA SER 56 HA SER 56 33.109 -6.948 0.633 144 HG SER 56 HG SER 56 32.640 -9.092 -1.465 145 H MET 57 H MET 57 30.583 -6.603 -0.572 146 HA MET 57 HA MET 57 29.317 -4.754 1.331 147 H VAL 58 H VAL 58 27.123 -4.724 1.500 148 HA VAL 58 HA VAL 58 25.455 -6.289 -0.261 149 HB VAL 58 HB VAL 58 24.462 -7.493 1.812 150 H TRP 59 H TRP 59 23.112 -6.291 0.703 151 HA TRP 59 HA TRP 59 22.638 -3.696 2.008 152 HD1 TRP 59 HD1 TRP 59 23.219 -3.951 -2.052 153 HE1 TRP 59 HE1 TRP 59 24.024 -1.588 -2.685 154 HE3 TRP 59 HE3 TRP 59 20.861 -1.278 1.612 155 HZ2 TRP 59 HZ2 TRP 59 23.708 1.056 -1.745 156 HZ3 TRP 59 HZ3 TRP 59 21.159 1.160 1.673 157 HH2 TRP 59 HH2 TRP 59 22.551 2.296 0.034 158 H ASN 60 H ASN 60 21.531 -3.876 3.823 159 HA ASN 60 HA ASN 60 20.268 -6.302 4.637 160 HA PRO 61 HA PRO 61 15.921 -6.540 3.818 161 H GLU 62 H GLU 62 16.201 -5.651 1.754 162 HA GLU 62 HA GLU 62 15.963 -2.788 1.409 163 H ALA 63 H ALA 63 14.345 -5.361 -0.444 164 HA ALA 63 HA ALA 63 12.058 -3.610 -0.764 165 HA PRO 64 HA PRO 64 9.874 -6.064 2.376 166 H ILE 65 H ILE 65 7.071 -5.498 2.577 167 HA ILE 65 HA ILE 65 6.143 -6.798 0.147 168 HB ILE 65 HB ILE 65 4.349 -6.056 2.408 169 H CYS 66 H CYS 66 4.033 -6.040 -0.782 170 HA CYS 66 HA CYS 66 3.193 -3.357 -0.428 171 H GLU 67 H GLU 67 1.139 -3.228 -1.085 172 HA GLU 67 HA GLU 67 0.206 -4.700 -3.390 173 H SER 68 H SER 68 -2.273 -4.396 -3.573 174 HA SER 68 HA SER 68 -2.770 -1.555 -3.285 175 HG SER 68 HG SER 68 -5.837 -3.210 -4.101 176 H VAL 69 H VAL 69 -3.694 -0.750 -1.545 177 HA VAL 69 HA VAL 69 -4.650 -2.025 0.642 178 HB VAL 69 HB VAL 69 -6.257 0.045 0.847 179 H LYS 70 H LYS 70 -5.889 -3.826 0.301 180 HA LYS 70 HA LYS 70 -8.246 -3.749 -1.328 181 H CYS 71 H CYS 71 -10.286 -3.437 -0.756 182 HA CYS 71 HA CYS 71 -10.856 -2.951 2.089 183 H GLN 72 H GLN 72 -12.256 -4.198 3.145 184 HA GLN 72 HA GLN 72 -13.384 -6.483 1.856 185 H SER 73 H SER 73 -15.881 -6.620 3.268 186 HA SER 73 HA SER 73 -17.648 -5.643 1.413 187 HG SER 73 HG SER 73 -19.841 -5.075 2.772 188 HA PRO 74 HA PRO 74 -17.667 -1.235 1.912 189 HA PRO 75 HA PRO 75 -19.191 0.024 5.828 190 H SER 76 H SER 76 -20.999 -0.095 7.202 191 HA SER 76 HA SER 76 -23.285 -1.534 6.041 192 HG SER 76 HG SER 76 -21.462 -1.461 9.467 193 H ILE 77 H ILE 77 -24.480 0.267 5.408 194 HA ILE 77 HA ILE 77 -25.003 2.477 7.097 195 HB ILE 77 HB ILE 77 -26.692 3.130 5.487 196 H SER 78 H SER 78 -27.364 3.108 7.554 197 HA SER 78 HA SER 78 -28.544 0.938 9.120 198 HG SER 78 HG SER 78 -29.292 4.900 9.499 199 H ASN 79 H ASN 79 -30.667 0.273 8.877 200 HA ASN 79 HA ASN 79 -32.572 -0.243 7.754 201 H GLY 80 H GLY 80 -29.971 -0.601 6.433 202 H ARG 81 H ARG 81 -28.678 -1.473 2.371 203 HA ARG 81 HA ARG 81 -26.405 -2.368 3.829 204 HE ARG 81 HE ARG 81 -31.322 -6.171 3.341 205 1HH1 ARG 81 1HH1 ARG 81 -28.628 -6.973 1.286 206 1HH2 ARG 81 1HH2 ARG 81 -32.620 -7.204 1.777 207 H HIS 82 H HIS 82 -25.053 -3.869 2.165 208 HA HIS 82 HA HIS 82 -24.913 -2.253 -0.280 209 HD1 HIS 82 HD1 HIS 82 -23.007 -3.292 3.291 210 HD2 HIS 82 HD2 HIS 82 -21.985 -5.871 0.197 211 HE1 HIS 82 HE1 HIS 82 -22.133 -5.368 4.408 212 HE2 HIS 82 HE2 HIS 82 -21.519 -6.917 2.517 213 H ASN 83 H ASN 83 -23.831 -3.574 -2.159 214 HA ASN 83 HA ASN 83 -25.420 -6.034 -2.466 215 H GLY 84 H GLY 84 -22.663 -5.008 -4.416 216 H TYR 85 H TYR 85 -19.640 -7.985 -5.409 217 HA TYR 85 HA TYR 85 -21.435 -10.312 -5.363 218 HD1 TYR 85 HD1 TYR 85 -20.097 -7.330 -7.608 219 HD2 TYR 85 HD2 TYR 85 -22.596 -10.682 -8.385 220 HE1 TYR 85 HE1 TYR 85 -21.639 -5.881 -8.859 221 HE2 TYR 85 HE2 TYR 85 -24.146 -9.243 -9.640 222 HH TYR 85 HH TYR 85 -23.578 -6.623 -10.945 223 H GLU 86 H GLU 86 -18.171 -9.166 -4.931 224 HA GLU 86 HA GLU 86 -17.231 -11.820 -4.177 225 H ASP 87 H ASP 87 -15.376 -11.342 -2.283 226 HA ASP 87 HA ASP 87 -17.018 -10.504 -0.005 227 H PHE 88 H PHE 88 -14.095 -9.788 -1.711 228 HA PHE 88 HA PHE 88 -13.593 -7.579 0.162 229 HD1 PHE 88 HD1 PHE 88 -12.824 -10.789 1.009 230 HD2 PHE 88 HD2 PHE 88 -10.376 -7.335 1.425 231 HE1 PHE 88 HE1 PHE 88 -12.446 -11.343 3.374 232 HE2 PHE 88 HE2 PHE 88 -9.993 -7.882 3.781 233 HZ PHE 88 HZ PHE 88 -11.029 -9.889 4.769 234 H TYR 89 H TYR 89 -11.752 -6.114 -1.053 235 HA TYR 89 HA TYR 89 -12.295 -5.806 -3.872 236 HD1 TYR 89 HD1 TYR 89 -14.805 -5.272 -0.851 237 HD2 TYR 89 HD2 TYR 89 -14.897 -4.474 -5.028 238 HE1 TYR 89 HE1 TYR 89 -17.066 -6.234 -0.978 239 HE2 TYR 89 HE2 TYR 89 -17.156 -5.436 -5.169 240 HH TYR 89 HH TYR 89 -18.448 -7.341 -3.468 241 H THR 90 H THR 90 -11.152 -3.772 -4.711 242 HA THR 90 HA THR 90 -8.792 -3.165 -3.076 243 HB THR 90 HB THR 90 -7.482 -3.267 -5.287 244 HG1 THR 90 HG1 THR 90 -9.791 -4.767 -5.959 245 H ASP 91 H ASP 91 -7.434 -1.422 -4.383 246 HA ASP 91 HA ASP 91 -8.975 0.923 -4.376 247 H GLY 92 H GLY 92 -10.638 0.881 -5.754 248 H SER 93 H SER 93 -12.337 0.067 -6.119 249 HA SER 93 HA SER 93 -13.864 -1.508 -8.082 250 HG SER 93 HG SER 93 -11.916 -3.043 -6.475 251 H VAL 94 H VAL 94 -16.215 -1.743 -7.566 252 HA VAL 94 HA VAL 94 -17.312 0.565 -6.144 253 HB VAL 94 HB VAL 94 -18.062 -0.204 -8.964 254 H VAL 95 H VAL 95 -19.435 0.331 -5.413 255 HA VAL 95 HA VAL 95 -20.754 -2.248 -5.763 256 HB VAL 95 HB VAL 95 -20.229 -1.177 -2.997 257 H THR 96 H THR 96 -22.966 -2.192 -5.369 258 HA THR 96 HA THR 96 -24.072 0.517 -5.110 259 HB THR 96 HB THR 96 -26.122 -1.168 -5.968 260 HG1 THR 96 HG1 THR 96 -23.691 -1.795 -7.284 261 H TYR 97 H TYR 97 -25.325 1.038 -3.447 262 HA TYR 97 HA TYR 97 -25.794 -0.972 -1.406 263 HD1 TYR 97 HD1 TYR 97 -23.393 0.531 -1.748 264 HD2 TYR 97 HD2 TYR 97 -25.647 1.349 1.765 265 HE1 TYR 97 HE1 TYR 97 -21.359 0.298 -0.398 266 HE2 TYR 97 HE2 TYR 97 -23.612 1.121 3.126 267 HH TYR 97 HH TYR 97 -20.925 1.429 2.490 268 H SER 98 H SER 98 -27.880 -1.085 -0.295 269 HA SER 98 HA SER 98 -30.222 -0.169 -1.713 270 HG SER 98 HG SER 98 -29.049 -3.934 -1.807 271 H CYS 99 H CYS 99 -31.986 -0.034 -0.415 272 HA CYS 99 HA CYS 99 -31.605 -0.298 2.391 273 H ASN 100 H ASN 100 -33.012 -1.523 3.841 274 HA ASN 100 HA ASN 100 -33.203 -4.262 2.982 275 H SER 101 H SER 101 -35.606 -2.616 4.991 276 HA SER 101 HA SER 101 -37.757 -4.113 4.005 277 HG SER 101 HG SER 101 -39.618 -2.825 6.498 278 H GLY 102 H GLY 102 -36.357 -1.100 2.918 279 H TYR 103 H TYR 103 -35.808 0.730 2.559 280 HA TYR 103 HA TYR 103 -37.221 3.168 2.818 281 HD1 TYR 103 HD1 TYR 103 -35.393 0.597 4.856 282 HD2 TYR 103 HD2 TYR 103 -36.254 4.742 5.354 283 HE1 TYR 103 HE1 TYR 103 -36.286 0.130 7.097 284 HE2 TYR 103 HE2 TYR 103 -37.155 4.270 7.603 285 HH TYR 103 HH TYR 103 -38.033 2.479 8.905 286 H SER 104 H SER 104 -35.602 5.210 2.269 287 HA SER 104 HA SER 104 -35.408 5.101 -0.667 288 HG SER 104 HG SER 104 -37.485 6.417 -0.797 289 H LEU 105 H LEU 105 -33.352 4.486 -1.114 290 HA LEU 105 HA LEU 105 -31.103 4.946 0.343 291 HG LEU 105 HG LEU 105 -29.209 4.250 -0.358 292 H ILE 106 H ILE 106 -30.018 6.611 0.925 293 HA ILE 106 HA ILE 106 -30.501 9.200 -0.323 294 HB ILE 106 HB ILE 106 -29.059 8.411 2.210 295 H GLY 107 H GLY 107 -28.708 10.576 -0.933 296 H ASN 108 H ASN 108 -25.074 8.297 -2.420 297 HA ASN 108 HA ASN 108 -26.528 7.470 -4.846 298 H SER 109 H SER 109 -26.616 5.316 -5.279 299 HA SER 109 HA SER 109 -26.165 3.474 -3.195 300 HG SER 109 HG SER 109 -26.430 3.268 -6.949 301 H GLY 110 H GLY 110 -24.307 4.462 -5.982 302 H VAL 111 H VAL 111 -20.520 2.083 -4.934 303 HA VAL 111 HA VAL 111 -19.487 4.302 -3.311 304 HB VAL 111 HB VAL 111 -19.338 1.505 -2.288 305 H LEU 112 H LEU 112 -17.469 4.744 -3.921 306 HA LEU 112 HA LEU 112 -15.985 2.892 -5.541 307 HG LEU 112 HG LEU 112 -13.234 4.400 -4.751 308 H CYS 113 H CYS 113 -14.537 1.456 -4.899 309 HA CYS 113 HA CYS 113 -13.667 1.440 -2.115 310 H SER 114 H SER 114 -12.037 2.854 -1.815 311 HA SER 114 HA SER 114 -9.616 2.483 -3.398 312 HG SER 114 HG SER 114 -8.987 4.737 -4.974 313 H GLY 115 H GLY 115 -7.734 3.521 -2.442 314 H GLY 116 H GLY 116 -8.168 1.387 -0.490 315 H GLU 117 H GLU 117 -10.234 2.399 0.784 316 HA GLU 117 HA GLU 117 -12.066 1.759 2.968 317 H TRP 118 H TRP 118 -14.136 3.229 2.611 318 HA TRP 118 HA TRP 118 -14.803 3.035 -0.246 319 HD1 TRP 118 HD1 TRP 118 -15.199 0.325 2.827 320 HE1 TRP 118 HE1 TRP 118 -15.039 -1.972 1.684 321 HE3 TRP 118 HE3 TRP 118 -17.099 1.559 -1.756 322 HZ2 TRP 118 HZ2 TRP 118 -15.633 -3.110 -0.825 323 HZ3 TRP 118 HZ3 TRP 118 -17.271 -0.198 -3.471 324 HH2 TRP 118 HH2 TRP 118 -16.552 -2.485 -3.012 325 H SER 119 H SER 119 -15.782 4.731 -1.236 326 HA SER 119 HA SER 119 -16.302 7.111 0.420 327 HG SER 119 HG SER 119 -14.214 6.788 -2.936 328 H ASP 120 H ASP 120 -18.029 8.421 -0.130 329 HA ASP 120 HA ASP 120 -20.042 9.015 -0.995 330 HA PRO 121 HA PRO 121 -21.787 4.829 0.338 331 HA PRO 122 HA PRO 122 -25.525 7.243 0.700 332 H THR 123 H THR 123 -27.813 6.764 1.583 333 HA THR 123 HA THR 123 -27.698 5.334 4.145 334 HB THR 123 HB THR 123 -29.219 7.870 4.144 335 HG1 THR 123 HG1 THR 123 -27.385 9.123 4.460 336 H CYS 124 H CYS 124 -30.091 5.438 5.093 337 HA CYS 124 HA CYS 124 -31.940 5.046 2.857 338 H GLN 125 H GLN 125 -33.351 6.584 3.130 339 HA GLN 125 HA GLN 125 -34.436 7.072 5.815 340 H ILE 126 H ILE 126 -36.621 8.402 5.422 341 HA ILE 126 HA ILE 126 -38.311 6.617 3.807 342 HB ILE 126 HB ILE 126 -39.136 8.059 6.316 No H/Q in entry = 342 Start of MODEL 19 1 H ARG 7 H ARG 7 -34.488 -1.532 2.619 2 HA ARG 7 HA ARG 7 -34.225 -0.734 -0.192 3 HE ARG 7 HE ARG 7 -38.492 0.841 1.849 4 1HH1 ARG 7 1HH1 ARG 7 -37.126 2.944 -0.567 5 1HH2 ARG 7 1HH2 ARG 7 -40.361 0.815 0.541 6 H ARG 8 H ARG 8 -32.340 -2.024 -0.558 7 HA ARG 8 HA ARG 8 -29.965 -1.824 0.934 8 HE ARG 8 HE ARG 8 -31.015 -5.506 -3.069 9 1HH1 ARG 8 1HH1 ARG 8 -31.470 -2.666 -5.034 10 1HH2 ARG 8 1HH2 ARG 8 -32.869 -6.329 -4.111 11 H CYS 9 H CYS 9 -27.897 -1.113 -0.567 12 HA CYS 9 HA CYS 9 -28.325 1.761 -0.997 13 HA PRO 10 HA PRO 10 -27.361 1.476 -5.295 14 H SER 11 H SER 11 -25.443 1.444 -6.853 15 HA SER 11 HA SER 11 -23.545 -0.346 -5.992 16 HG SER 11 HG SER 11 -22.429 1.778 -9.216 17 HA PRO 12 HA PRO 12 -20.985 2.174 -3.340 18 H ARG 13 H ARG 13 -19.012 3.330 -3.449 19 HA ARG 13 HA ARG 13 -18.275 4.141 -6.086 20 HE ARG 13 HE ARG 13 -17.777 8.070 -6.710 21 1HH1 ARG 13 1HH1 ARG 13 -15.984 9.590 -4.140 22 1HH2 ARG 13 1HH2 ARG 13 -17.476 10.020 -7.857 23 H ASP 14 H ASP 14 -16.452 3.776 -7.208 24 HA ASP 14 HA ASP 14 -15.125 1.316 -6.617 25 H ILE 15 H ILE 15 -12.637 1.568 -7.597 26 HA ILE 15 HA ILE 15 -11.249 3.771 -6.331 27 HB ILE 15 HB ILE 15 -11.595 2.237 -4.443 28 H ASP 16 H ASP 16 -9.178 4.056 -7.095 29 HA ASP 16 HA ASP 16 -8.449 2.430 -9.402 30 H ASN 17 H ASN 17 -6.210 1.701 -9.622 31 HA ASN 17 HA ASN 17 -4.559 0.308 -8.863 32 H GLY 18 H GLY 18 -7.285 -0.081 -7.742 33 H GLN 19 H GLN 19 -8.731 -2.795 -4.608 34 HA GLN 19 HA GLN 19 -10.797 -3.051 -6.651 35 H LEU 20 H LEU 20 -12.802 -3.238 -5.800 36 HA LEU 20 HA LEU 20 -13.096 -3.044 -2.956 37 HG LEU 20 HG LEU 20 -14.702 -1.066 -2.996 38 H ASP 21 H ASP 21 -14.416 -4.421 -1.658 39 HA ASP 21 HA ASP 21 -14.679 -7.179 -2.657 40 H ILE 22 H ILE 22 -16.815 -6.272 -3.195 41 HA ILE 22 HA ILE 22 -18.586 -5.384 -1.173 42 HB ILE 22 HB ILE 22 -19.655 -6.591 -3.682 43 H GLY 23 H GLY 23 -18.976 -6.721 0.491 44 H GLY 24 H GLY 24 -21.364 -6.802 -0.316 45 H VAL 25 H VAL 25 -25.451 -5.875 -0.135 46 HA VAL 25 HA VAL 25 -24.317 -3.161 -0.031 47 HB VAL 25 HB VAL 25 -25.441 -2.544 -2.092 48 H ASP 26 H ASP 26 -26.397 -4.962 1.493 49 HA ASP 26 HA ASP 26 -28.786 -3.340 1.247 50 H PHE 27 H PHE 27 -29.774 -2.265 3.070 51 HA PHE 27 HA PHE 27 -28.155 -0.409 4.308 52 HD1 PHE 27 HD1 PHE 27 -28.192 1.127 5.506 53 HD2 PHE 27 HD2 PHE 27 -32.060 -0.064 6.825 54 HE1 PHE 27 HE1 PHE 27 -28.133 2.868 7.245 55 HE2 PHE 27 HE2 PHE 27 -32.005 1.673 8.567 56 HZ PHE 27 HZ PHE 27 -30.040 3.140 8.778 57 H GLY 28 H GLY 28 -26.429 -0.982 5.477 58 H SER 29 H SER 29 -25.462 -2.803 4.845 59 HA SER 29 HA SER 29 -23.759 -4.994 5.612 60 HG SER 29 HG SER 29 -25.059 -3.116 2.613 61 H SER 30 H SER 30 -21.553 -4.931 4.160 62 HA SER 30 HA SER 30 -20.244 -2.360 4.393 63 HG SER 30 HG SER 30 -19.549 -4.957 7.335 64 H ILE 31 H ILE 31 -18.143 -2.302 3.419 65 HA ILE 31 HA ILE 31 -17.662 -4.538 1.554 66 HB ILE 31 HB ILE 31 -16.688 -1.879 0.729 67 H THR 32 H THR 32 -15.384 -4.552 0.693 68 HA THR 32 HA THR 32 -13.464 -3.577 2.698 69 HB THR 32 HB THR 32 -12.834 -6.132 1.333 70 HG1 THR 32 HG1 THR 32 -15.034 -6.397 1.971 71 H TYR 33 H TYR 33 -12.163 -2.161 1.752 72 HA TYR 33 HA TYR 33 -11.710 -2.269 -1.116 73 HD1 TYR 33 HD1 TYR 33 -13.727 -0.289 1.015 74 HD2 TYR 33 HD2 TYR 33 -11.390 0.847 -2.355 75 HE1 TYR 33 HE1 TYR 33 -15.678 0.847 0.051 76 HE2 TYR 33 HE2 TYR 33 -13.341 1.990 -3.327 77 HH TYR 33 HH TYR 33 -16.334 1.466 -2.576 78 H SER 34 H SER 34 -9.709 -2.513 -2.107 79 HA SER 34 HA SER 34 -7.374 -3.060 -0.456 80 HG SER 34 HG SER 34 -8.546 -6.116 -0.123 81 H CYS 35 H CYS 35 -5.410 -3.441 -1.834 82 HA CYS 35 HA CYS 35 -5.446 -1.538 -4.029 83 H ASN 36 H ASN 36 -4.348 -2.027 -6.061 84 HA ASN 36 HA ASN 36 -5.391 -4.298 -7.293 85 H SER 37 H SER 37 -1.902 -3.852 -7.539 86 HA SER 37 HA SER 37 -1.364 -6.330 -6.142 87 HG SER 37 HG SER 37 0.429 -7.858 -7.693 88 H GLY 38 H GLY 38 0.584 -6.296 -5.209 89 H TYR 39 H TYR 39 0.183 -3.909 -4.407 90 HA TYR 39 HA TYR 39 1.541 -1.343 -3.914 91 HD1 TYR 39 HD1 TYR 39 1.517 -1.638 -6.215 92 HD2 TYR 39 HD2 TYR 39 -1.759 0.946 -5.370 93 HE1 TYR 39 HE1 TYR 39 2.121 -0.250 -8.152 94 HE2 TYR 39 HE2 TYR 39 -1.160 2.342 -7.306 95 HH TYR 39 HH TYR 39 0.081 2.394 -9.227 96 H HIS 40 H HIS 40 0.049 -0.104 -2.169 97 HA HIS 40 HA HIS 40 -0.678 -1.896 -0.002 98 HD1 HIS 40 HD1 HIS 40 1.984 0.971 2.673 99 HD2 HIS 40 HD2 HIS 40 1.155 1.578 -1.348 100 HE1 HIS 40 HE1 HIS 40 2.644 3.351 2.203 101 HE2 HIS 40 HE2 HIS 40 2.133 3.698 -0.240 102 H LEU 41 H LEU 41 -2.671 -1.346 0.425 103 HA LEU 41 HA LEU 41 -3.761 1.206 -0.247 104 HG LEU 41 HG LEU 41 -6.090 1.448 0.951 105 H ILE 42 H ILE 42 -3.830 2.970 0.980 106 HA ILE 42 HA ILE 42 -3.112 2.668 3.814 107 HB ILE 42 HB ILE 42 -3.079 5.359 2.555 108 H GLY 43 H GLY 43 -4.035 4.321 5.286 109 H GLU 44 H GLU 44 -8.456 4.746 4.480 110 HA GLU 44 HA GLU 44 -9.343 2.694 6.273 111 H SER 45 H SER 45 -10.736 0.911 5.314 112 HA SER 45 HA SER 45 -9.806 -0.220 2.822 113 HG SER 45 HG SER 45 -10.075 -1.565 6.147 114 H LYS 46 H LYS 46 -12.356 0.620 4.357 115 HA LYS 46 HA LYS 46 -13.968 -1.575 3.411 116 H SER 47 H SER 47 -16.187 -1.117 3.313 117 HA SER 47 HA SER 47 -16.947 1.687 3.825 118 HG SER 47 HG SER 47 -17.972 2.783 2.041 119 H TYR 48 H TYR 48 -19.161 2.052 4.468 120 HA TYR 48 HA TYR 48 -20.523 -0.459 5.225 121 HD1 TYR 48 HD1 TYR 48 -18.560 -1.162 6.706 122 HD2 TYR 48 HD2 TYR 48 -18.905 2.846 8.066 123 HE1 TYR 48 HE1 TYR 48 -16.210 -1.213 7.433 124 HE2 TYR 48 HE2 TYR 48 -16.559 2.820 8.789 125 HH TYR 48 HH TYR 48 -14.519 1.630 8.388 126 H CYS 49 H CYS 49 -22.355 -0.610 4.295 127 HA CYS 49 HA CYS 49 -23.732 1.535 3.065 128 H GLU 50 H GLU 50 -24.644 3.125 4.202 129 HA GLU 50 HA GLU 50 -26.456 2.369 6.389 130 H LEU 51 H LEU 51 -27.530 4.709 7.073 131 HA LEU 51 HA LEU 51 -29.091 5.375 4.732 132 HG LEU 51 HG LEU 51 -30.580 3.988 6.260 133 H GLY 52 H GLY 52 -29.629 7.619 4.210 134 H SER 53 H SER 53 -28.917 11.686 3.933 135 HA SER 53 HA SER 53 -28.703 12.275 6.798 136 HG SER 53 HG SER 53 -29.095 15.710 5.334 137 H THR 54 H THR 54 -30.933 12.251 4.113 138 HA THR 54 HA THR 54 -33.075 13.167 5.916 139 HB THR 54 HB THR 54 -34.283 13.944 3.990 140 HG1 THR 54 HG1 THR 54 -33.986 12.943 2.188 141 H GLY 55 H GLY 55 -31.941 10.431 5.570 142 H SER 56 H SER 56 -31.399 9.270 3.632 143 HA SER 56 HA SER 56 -32.544 7.698 1.435 144 HG SER 56 HG SER 56 -31.226 9.784 -0.869 145 H MET 57 H MET 57 -30.394 6.884 0.068 146 HA MET 57 HA MET 57 -29.103 4.998 1.917 147 H VAL 58 H VAL 58 -26.978 5.135 2.226 148 HA VAL 58 HA VAL 58 -25.281 6.256 0.130 149 HB VAL 58 HB VAL 58 -24.020 7.576 1.827 150 H TRP 59 H TRP 59 -22.866 6.167 1.146 151 HA TRP 59 HA TRP 59 -22.557 3.520 2.395 152 HD1 TRP 59 HD1 TRP 59 -23.384 3.763 -1.516 153 HE1 TRP 59 HE1 TRP 59 -24.255 1.415 -2.119 154 HE3 TRP 59 HE3 TRP 59 -20.673 1.011 1.834 155 HZ2 TRP 59 HZ2 TRP 59 -23.841 -1.253 -1.272 156 HZ3 TRP 59 HZ3 TRP 59 -20.974 -1.429 1.875 157 HH2 TRP 59 HH2 TRP 59 -22.519 -2.526 0.359 158 H ASN 60 H ASN 60 -21.122 3.412 4.019 159 HA ASN 60 HA ASN 60 -19.791 5.777 4.933 160 HA PRO 61 HA PRO 61 -15.636 6.268 3.595 161 H GLU 62 H GLU 62 -15.579 5.817 1.522 162 HA GLU 62 HA GLU 62 -15.716 3.070 0.601 163 H ALA 63 H ALA 63 -14.127 4.968 -1.709 164 HA ALA 63 HA ALA 63 -11.888 3.279 -1.703 165 HA PRO 64 HA PRO 64 -9.506 5.794 1.223 166 H ILE 65 H ILE 65 -6.716 5.020 1.429 167 HA ILE 65 HA ILE 65 -5.832 6.098 -1.106 168 HB ILE 65 HB ILE 65 -3.765 5.280 0.803 169 H CYS 66 H CYS 66 -3.699 5.212 -1.959 170 HA CYS 66 HA CYS 66 -3.084 2.484 -1.749 171 H GLU 67 H GLU 67 -1.152 2.057 -2.782 172 HA GLU 67 HA GLU 67 -0.205 3.575 -5.000 173 H SER 68 H SER 68 2.177 3.107 -5.418 174 HA SER 68 HA SER 68 2.618 0.284 -5.065 175 HG SER 68 HG SER 68 4.756 3.172 -6.243 176 H VAL 69 H VAL 69 3.649 -0.609 -3.425 177 HA VAL 69 HA VAL 69 4.557 0.550 -1.170 178 HB VAL 69 HB VAL 69 6.210 -1.421 -1.016 179 H LYS 70 H LYS 70 5.696 2.407 -1.313 180 HA LYS 70 HA LYS 70 8.150 2.491 -2.857 181 H CYS 71 H CYS 71 10.103 2.263 -2.051 182 HA CYS 71 HA CYS 71 10.408 2.014 0.858 183 H GLN 72 H GLN 72 11.582 3.374 2.030 184 HA GLN 72 HA GLN 72 12.576 5.768 0.817 185 H SER 73 H SER 73 14.843 6.240 2.488 186 HA SER 73 HA SER 73 16.926 5.447 0.910 187 HG SER 73 HG SER 73 18.971 6.141 3.977 188 HA PRO 74 HA PRO 74 17.410 1.086 1.556 189 HA PRO 75 HA PRO 75 18.716 0.180 5.647 190 H SER 76 H SER 76 20.472 0.298 7.111 191 HA SER 76 HA SER 76 22.796 1.734 6.018 192 HG SER 76 HG SER 76 22.230 3.792 6.713 193 H ILE 77 H ILE 77 24.095 -0.025 5.570 194 HA ILE 77 HA ILE 77 24.523 -2.179 7.347 195 HB ILE 77 HB ILE 77 26.392 -2.810 5.944 196 H SER 78 H SER 78 26.894 -2.715 8.007 197 HA SER 78 HA SER 78 27.769 -0.521 9.720 198 HG SER 78 HG SER 78 28.610 -3.872 8.837 199 H ASN 79 H ASN 79 29.714 0.441 9.595 200 HA ASN 79 HA ASN 79 31.740 1.080 8.801 201 H GLY 80 H GLY 80 29.235 1.354 7.259 202 H ARG 81 H ARG 81 28.300 2.426 3.158 203 HA ARG 81 HA ARG 81 25.836 3.145 4.441 204 HE ARG 81 HE ARG 81 30.714 6.704 4.304 205 1HH1 ARG 81 1HH1 ARG 81 28.548 7.560 1.716 206 1HH2 ARG 81 1HH2 ARG 81 32.392 7.373 2.909 207 H HIS 82 H HIS 82 24.547 4.521 2.615 208 HA HIS 82 HA HIS 82 24.810 2.917 0.161 209 HD1 HIS 82 HD1 HIS 82 22.236 3.344 3.542 210 HD2 HIS 82 HD2 HIS 82 21.469 6.057 0.490 211 HE1 HIS 82 HE1 HIS 82 20.961 5.226 4.620 212 HE2 HIS 82 HE2 HIS 82 20.507 6.857 2.754 213 H ASN 83 H ASN 83 23.840 4.061 -1.803 214 HA ASN 83 HA ASN 83 24.978 6.764 -1.891 215 H GLY 84 H GLY 84 22.512 5.393 -4.013 216 H TYR 85 H TYR 85 19.325 7.877 -5.423 217 HA TYR 85 HA TYR 85 20.786 10.425 -5.289 218 HD1 TYR 85 HD1 TYR 85 22.671 9.439 -7.445 219 HD2 TYR 85 HD2 TYR 85 18.922 7.574 -8.196 220 HE1 TYR 85 HE1 TYR 85 23.837 7.470 -8.345 221 HE2 TYR 85 HE2 TYR 85 20.078 5.600 -9.097 222 HH TYR 85 HH TYR 85 22.285 4.516 -8.918 223 H GLU 86 H GLU 86 17.657 8.883 -5.351 224 HA GLU 86 HA GLU 86 16.285 11.416 -4.914 225 H ASP 87 H ASP 87 14.211 10.760 -3.311 226 HA ASP 87 HA ASP 87 15.551 10.257 -0.755 227 H PHE 88 H PHE 88 13.130 9.016 -2.881 228 HA PHE 88 HA PHE 88 12.660 6.819 -0.988 229 HD1 PHE 88 HD1 PHE 88 10.769 10.034 -0.660 230 HD2 PHE 88 HD2 PHE 88 9.866 5.926 -0.021 231 HE1 PHE 88 HE1 PHE 88 9.924 10.572 1.586 232 HE2 PHE 88 HE2 PHE 88 9.020 6.456 2.217 233 HZ PHE 88 HZ PHE 88 9.049 8.781 3.033 234 H TYR 89 H TYR 89 11.283 5.054 -2.397 235 HA TYR 89 HA TYR 89 12.343 4.727 -5.066 236 HD1 TYR 89 HD1 TYR 89 14.379 4.805 -1.721 237 HD2 TYR 89 HD2 TYR 89 15.271 3.630 -5.711 238 HE1 TYR 89 HE1 TYR 89 16.486 6.073 -1.615 239 HE2 TYR 89 HE2 TYR 89 17.379 4.894 -5.619 240 HH TYR 89 HH TYR 89 18.090 7.160 -3.876 241 H THR 90 H THR 90 11.574 2.615 -6.028 242 HA THR 90 HA THR 90 9.166 1.609 -4.683 243 HB THR 90 HB THR 90 8.066 1.649 -7.005 244 HG1 THR 90 HG1 THR 90 10.147 3.533 -7.404 245 H ASP 91 H ASP 91 8.196 -0.168 -6.345 246 HA ASP 91 HA ASP 91 9.960 -2.336 -6.180 247 H GLY 92 H GLY 92 11.814 -2.100 -7.241 248 H SER 93 H SER 93 13.395 -1.006 -7.271 249 HA SER 93 HA SER 93 15.113 0.738 -8.904 250 HG SER 93 HG SER 93 12.753 0.895 -6.270 251 H VAL 94 H VAL 94 17.275 1.206 -7.968 252 HA VAL 94 HA VAL 94 18.330 -0.889 -6.238 253 HB VAL 94 HB VAL 94 19.415 -0.343 -9.003 254 H VAL 95 H VAL 95 20.258 -0.372 -5.208 255 HA VAL 95 HA VAL 95 21.363 2.305 -5.638 256 HB VAL 95 HB VAL 95 20.638 1.328 -2.881 257 H THR 96 H THR 96 23.510 2.529 -4.995 258 HA THR 96 HA THR 96 24.884 -0.016 -4.513 259 HB THR 96 HB THR 96 26.843 1.837 -5.102 260 HG1 THR 96 HG1 THR 96 24.719 2.330 -6.895 261 H TYR 97 H TYR 97 26.150 -0.346 -2.769 262 HA TYR 97 HA TYR 97 26.049 1.707 -0.687 263 HD1 TYR 97 HD1 TYR 97 23.857 -0.110 -1.371 264 HD2 TYR 97 HD2 TYR 97 25.582 -0.470 2.497 265 HE1 TYR 97 HE1 TYR 97 21.619 -0.037 -0.378 266 HE2 TYR 97 HE2 TYR 97 23.341 -0.399 3.506 267 HH TYR 97 HH TYR 97 21.105 -0.579 3.047 268 H SER 98 H SER 98 27.917 2.146 0.622 269 HA SER 98 HA SER 98 30.509 1.391 -0.487 270 HG SER 98 HG SER 98 30.977 5.121 0.076 271 H CYS 99 H CYS 99 32.156 1.377 0.990 272 HA CYS 99 HA CYS 99 31.484 1.415 3.731 273 H ASN 100 H ASN 100 32.607 2.700 5.395 274 HA ASN 100 HA ASN 100 32.668 5.512 4.614 275 H SER 101 H SER 101 34.466 3.607 7.033 276 HA SER 101 HA SER 101 36.714 5.315 6.998 277 HG SER 101 HG SER 101 37.322 4.371 9.755 278 H GLY 102 H GLY 102 35.823 2.532 5.110 279 H TYR 103 H TYR 103 35.607 0.689 4.549 280 HA TYR 103 HA TYR 103 37.159 -1.690 4.784 281 HD1 TYR 103 HD1 TYR 103 35.424 0.387 6.993 282 HD2 TYR 103 HD2 TYR 103 35.502 -3.862 6.781 283 HE1 TYR 103 HE1 TYR 103 36.004 0.285 9.380 284 HE2 TYR 103 HE2 TYR 103 36.088 -3.977 9.167 285 HH TYR 103 HH TYR 103 36.964 -2.674 10.916 286 H SER 104 H SER 104 35.696 -3.700 3.756 287 HA SER 104 HA SER 104 35.700 -3.171 0.858 288 HG SER 104 HG SER 104 38.509 -5.232 1.391 289 H LEU 105 H LEU 105 33.572 -2.909 0.414 290 HA LEU 105 HA LEU 105 31.399 -3.998 1.639 291 HG LEU 105 HG LEU 105 29.435 -3.530 0.859 292 H ILE 106 H ILE 106 30.390 -5.829 1.679 293 HA ILE 106 HA ILE 106 31.540 -8.094 0.222 294 HB ILE 106 HB ILE 106 29.795 -8.002 2.677 295 H GLY 107 H GLY 107 30.095 -9.704 -0.668 296 H ASN 108 H ASN 108 26.231 -7.966 -2.235 297 HA ASN 108 HA ASN 108 27.677 -6.763 -4.500 298 H SER 109 H SER 109 27.729 -4.641 -4.502 299 HA SER 109 HA SER 109 26.727 -3.065 -2.422 300 HG SER 109 HG SER 109 27.915 -1.881 -6.044 301 H GLY 110 H GLY 110 25.367 -4.040 -5.455 302 H VAL 111 H VAL 111 21.576 -1.888 -4.393 303 HA VAL 111 HA VAL 111 20.472 -4.291 -3.092 304 HB VAL 111 HB VAL 111 20.041 -1.474 -2.179 305 H LEU 112 H LEU 112 18.653 -4.965 -4.054 306 HA LEU 112 HA LEU 112 17.225 -3.261 -5.855 307 HG LEU 112 HG LEU 112 14.578 -4.943 -5.648 308 H CYS 113 H CYS 113 15.531 -2.018 -5.491 309 HA CYS 113 HA CYS 113 14.200 -2.119 -2.895 310 H SER 114 H SER 114 12.681 -3.683 -2.851 311 HA SER 114 HA SER 114 10.607 -3.624 -4.908 312 HG SER 114 HG SER 114 10.217 -5.782 -6.224 313 H GLY 115 H GLY 115 8.600 -4.440 -4.273 314 H GLY 116 H GLY 116 8.388 -2.283 -2.270 315 H GLU 117 H GLU 117 10.339 -3.326 -0.717 316 HA GLU 117 HA GLU 117 11.826 -2.653 1.713 317 H TRP 118 H TRP 118 14.033 -3.785 1.628 318 HA TRP 118 HA TRP 118 15.110 -3.468 -1.096 319 HD1 TRP 118 HD1 TRP 118 14.842 -0.780 2.083 320 HE1 TRP 118 HE1 TRP 118 14.705 1.534 0.961 321 HE3 TRP 118 HE3 TRP 118 17.417 -1.809 -2.203 322 HZ2 TRP 118 HZ2 TRP 118 15.572 2.753 -1.432 323 HZ3 TRP 118 HZ3 TRP 118 17.716 -0.017 -3.856 324 HH2 TRP 118 HH2 TRP 118 16.820 2.220 -3.478 325 H SER 119 H SER 119 16.130 -5.186 -2.005 326 HA SER 119 HA SER 119 16.667 -7.486 -0.282 327 HG SER 119 HG SER 119 14.678 -7.287 -2.452 328 H ASP 120 H ASP 120 18.505 -7.877 0.404 329 HA ASP 120 HA ASP 120 20.893 -8.218 0.325 330 HA PRO 121 HA PRO 121 21.920 -4.539 0.557 331 HA PRO 122 HA PRO 122 25.621 -7.006 1.173 332 H THR 123 H THR 123 27.923 -6.791 2.169 333 HA THR 123 HA THR 123 27.656 -5.514 4.820 334 HB THR 123 HB THR 123 29.779 -7.457 4.741 335 HG1 THR 123 HG1 THR 123 27.225 -8.347 3.899 336 H CYS 124 H CYS 124 30.335 -5.729 5.533 337 HA CYS 124 HA CYS 124 31.969 -4.518 3.544 338 H GLN 125 H GLN 125 33.359 -6.093 4.316 339 HA GLN 125 HA GLN 125 34.481 -5.607 6.989 340 H ILE 126 H ILE 126 36.813 -6.558 7.048 341 HA ILE 126 HA ILE 126 38.293 -5.129 4.980 342 HB ILE 126 HB ILE 126 39.178 -6.273 7.630 No H/Q in entry = 342 Start of MODEL 20 1 H ARG 7 H ARG 7 35.298 -1.027 3.688 2 HA ARG 7 HA ARG 7 33.491 -1.751 5.643 3 HE ARG 7 HE ARG 7 36.115 2.403 5.361 4 1HH1 ARG 7 1HH1 ARG 7 33.586 2.796 7.722 5 1HH2 ARG 7 1HH2 ARG 7 35.458 4.434 4.554 6 H ARG 8 H ARG 8 31.322 -1.922 5.805 7 HA ARG 8 HA ARG 8 29.784 -2.082 3.396 8 HE ARG 8 HE ARG 8 27.549 -4.799 8.026 9 1HH1 ARG 8 1HH1 ARG 8 29.335 -2.104 9.316 10 1HH2 ARG 8 1HH2 ARG 8 28.413 -5.999 9.762 11 H CYS 9 H CYS 9 27.469 -1.065 3.518 12 HA CYS 9 HA CYS 9 27.879 1.789 3.519 13 HA PRO 10 HA PRO 10 26.067 2.781 7.400 14 H SER 11 H SER 11 23.908 3.326 8.482 15 HA SER 11 HA SER 11 22.088 1.312 8.070 16 HG SER 11 HG SER 11 21.794 4.798 9.964 17 HA PRO 12 HA PRO 12 20.357 2.760 4.149 18 H ARG 13 H ARG 13 18.228 3.428 3.428 19 HA ARG 13 HA ARG 13 16.821 4.959 5.264 20 HE ARG 13 HE ARG 13 16.905 8.466 3.777 21 1HH1 ARG 13 1HH1 ARG 13 19.606 7.259 1.940 22 1HH2 ARG 13 1HH2 ARG 13 18.007 10.463 3.785 23 H ASP 14 H ASP 14 14.238 4.565 5.268 24 HA ASP 14 HA ASP 14 13.752 1.829 6.225 25 H ILE 15 H ILE 15 12.785 4.059 4.133 26 HA ILE 15 HA ILE 15 10.896 4.521 2.961 27 HB ILE 15 HB ILE 15 9.070 2.521 3.834 28 H ASP 16 H ASP 16 8.190 4.227 3.570 29 HA ASP 16 HA ASP 16 7.942 5.619 6.144 30 H ASN 17 H ASN 17 5.700 4.431 3.664 31 HA ASN 17 HA ASN 17 4.205 3.055 5.777 32 H GLY 18 H GLY 18 6.748 2.110 4.668 33 H GLN 19 H GLN 19 7.950 -1.957 3.472 34 HA GLN 19 HA GLN 19 9.569 -1.616 5.902 35 H LEU 20 H LEU 20 11.680 -2.383 5.779 36 HA LEU 20 HA LEU 20 12.731 -2.652 3.114 37 HG LEU 20 HG LEU 20 15.040 -1.392 3.206 38 H ASP 21 H ASP 21 14.113 -4.327 2.422 39 HA ASP 21 HA ASP 21 13.907 -6.881 3.857 40 H ILE 22 H ILE 22 15.988 -5.841 4.565 41 HA ILE 22 HA ILE 22 18.108 -5.565 2.688 42 HB ILE 22 HB ILE 22 18.697 -5.898 5.588 43 H GLY 23 H GLY 23 19.197 -7.096 1.765 44 H GLY 24 H GLY 24 21.182 -6.899 2.961 45 H VAL 25 H VAL 25 24.750 -5.888 3.983 46 HA VAL 25 HA VAL 25 23.865 -3.280 2.947 47 HB VAL 25 HB VAL 25 24.779 -2.392 5.141 48 H ASP 26 H ASP 26 26.340 -5.306 2.456 49 HA ASP 26 HA ASP 26 28.501 -3.390 2.764 50 H PHE 27 H PHE 27 29.992 -3.056 0.888 51 HA PHE 27 HA PHE 27 28.652 -1.801 -1.215 52 HD1 PHE 27 HD1 PHE 27 30.729 -2.778 -3.893 53 HD2 PHE 27 HD2 PHE 27 31.062 0.666 -1.415 54 HE1 PHE 27 HE1 PHE 27 30.903 -1.359 -5.895 55 HE2 PHE 27 HE2 PHE 27 31.236 2.091 -3.413 56 HZ PHE 27 HZ PHE 27 31.156 1.079 -5.657 57 H GLY 28 H GLY 28 27.520 -2.673 -2.802 58 H SER 29 H SER 29 26.123 -4.106 -1.920 59 HA SER 29 HA SER 29 24.596 -6.551 -2.390 60 HG SER 29 HG SER 29 23.688 -3.855 -0.193 61 H SER 30 H SER 30 22.148 -5.904 -1.365 62 HA SER 30 HA SER 30 21.095 -3.498 -2.458 63 HG SER 30 HG SER 30 21.936 -6.395 -4.212 64 H ILE 31 H ILE 31 19.081 -3.058 -1.729 65 HA ILE 31 HA ILE 31 17.917 -5.028 0.121 66 HB ILE 31 HB ILE 31 16.901 -2.261 0.229 67 H THR 32 H THR 32 15.492 -4.928 0.312 68 HA THR 32 HA THR 32 14.275 -4.343 -2.305 69 HB THR 32 HB THR 32 13.031 -6.468 -0.664 70 HG1 THR 32 HG1 THR 32 15.299 -6.936 -0.540 71 H TYR 33 H TYR 33 12.840 -2.786 -2.187 72 HA TYR 33 HA TYR 33 11.702 -2.059 0.390 73 HD1 TYR 33 HD1 TYR 33 14.371 -0.785 -0.964 74 HD2 TYR 33 HD2 TYR 33 10.937 1.308 0.394 75 HE1 TYR 33 HE1 TYR 33 15.801 0.612 0.470 76 HE2 TYR 33 HE2 TYR 33 12.342 2.714 1.840 77 HH TYR 33 HH TYR 33 15.849 2.547 1.690 78 H SER 34 H SER 34 9.637 -2.241 0.982 79 HA SER 34 HA SER 34 7.588 -2.891 -0.990 80 HG SER 34 HG SER 34 8.973 -5.772 -0.588 81 H CYS 35 H CYS 35 5.402 -2.683 -0.128 82 HA CYS 35 HA CYS 35 5.247 -0.519 1.762 83 H ASN 36 H ASN 36 3.534 -0.605 3.507 84 HA ASN 36 HA ASN 36 4.213 -2.655 5.338 85 H SER 37 H SER 37 0.837 -1.850 4.691 86 HA SER 37 HA SER 37 0.240 -4.481 3.670 87 HG SER 37 HG SER 37 -1.037 -5.953 4.614 88 H GLY 38 H GLY 38 -1.527 -4.440 2.394 89 H TYR 39 H TYR 39 -0.695 -2.365 1.172 90 HA TYR 39 HA TYR 39 -1.554 0.239 0.095 91 HD1 TYR 39 HD1 TYR 39 -1.980 0.343 2.485 92 HD2 TYR 39 HD2 TYR 39 1.635 2.465 1.775 93 HE1 TYR 39 HE1 TYR 39 -2.723 2.101 4.022 94 HE2 TYR 39 HE2 TYR 39 0.896 4.239 3.310 95 HH TYR 39 HH TYR 39 -0.779 4.312 5.371 96 H HIS 40 H HIS 40 0.157 1.044 -1.565 97 HA HIS 40 HA HIS 40 1.132 -1.175 -3.207 98 HD1 HIS 40 HD1 HIS 40 -0.204 1.642 -6.679 99 HD2 HIS 40 HD2 HIS 40 -0.761 2.550 -2.665 100 HE1 HIS 40 HE1 HIS 40 -0.668 4.113 -6.607 101 HE2 HIS 40 HE2 HIS 40 -1.002 4.641 -4.167 102 H LEU 41 H LEU 41 3.232 -0.920 -3.506 103 HA LEU 41 HA LEU 41 4.493 1.638 -3.038 104 HG LEU 41 HG LEU 41 7.045 1.480 -3.519 105 H ILE 42 H ILE 42 5.067 3.047 -4.553 106 HA ILE 42 HA ILE 42 4.802 2.202 -7.352 107 HB ILE 42 HB ILE 42 4.977 5.085 -6.641 108 H GLY 43 H GLY 43 6.316 2.811 -8.895 109 H GLU 44 H GLU 44 10.773 3.178 -7.858 110 HA GLU 44 HA GLU 44 11.318 0.481 -8.639 111 H SER 45 H SER 45 12.640 -0.733 -6.698 112 HA SER 45 HA SER 45 11.267 -0.691 -4.176 113 HG SER 45 HG SER 45 10.049 -3.061 -7.032 114 H LYS 46 H LYS 46 14.051 -0.634 -5.418 115 HA LYS 46 HA LYS 46 15.232 -2.471 -3.512 116 H SER 47 H SER 47 16.882 -1.560 -2.534 117 HA SER 47 HA SER 47 18.161 0.813 -3.675 118 HG SER 47 HG SER 47 19.328 1.973 -2.126 119 H TYR 48 H TYR 48 20.433 0.936 -4.044 120 HA TYR 48 HA TYR 48 21.779 -1.686 -3.755 121 HD1 TYR 48 HD1 TYR 48 20.282 -2.660 -5.518 122 HD2 TYR 48 HD2 TYR 48 21.304 0.890 -7.617 123 HE1 TYR 48 HE1 TYR 48 18.256 -2.901 -6.896 124 HE2 TYR 48 HE2 TYR 48 19.283 0.670 -8.999 125 HH TYR 48 HH TYR 48 16.798 -0.754 -8.410 126 H CYS 49 H CYS 49 23.382 -1.724 -2.455 127 HA CYS 49 HA CYS 49 24.434 0.603 -1.227 128 H GLU 50 H GLU 50 25.854 1.960 -2.047 129 HA GLU 50 HA GLU 50 28.257 0.996 -3.321 130 H LEU 51 H LEU 51 29.469 3.107 -4.212 131 HA LEU 51 HA LEU 51 29.589 4.895 -1.904 132 HG LEU 51 HG LEU 51 31.009 3.864 -5.139 133 H GLY 52 H GLY 52 29.832 7.221 -2.235 134 H SER 53 H SER 53 29.193 9.235 -1.364 135 HA SER 53 HA SER 53 29.839 11.915 -1.896 136 HG SER 53 HG SER 53 28.703 12.548 -0.055 137 H THR 54 H THR 54 31.420 11.605 -3.607 138 HA THR 54 HA THR 54 33.536 11.552 -4.454 139 HB THR 54 HB THR 54 35.076 12.892 -3.329 140 HG1 THR 54 HG1 THR 54 33.919 12.227 -0.835 141 H GLY 55 H GLY 55 32.536 9.104 -3.110 142 H SER 56 H SER 56 32.712 8.910 -0.822 143 HA SER 56 HA SER 56 32.919 7.121 1.303 144 HG SER 56 HG SER 56 31.802 8.740 3.254 145 H MET 57 H MET 57 30.215 6.701 2.068 146 HA MET 57 HA MET 57 29.450 4.581 0.181 147 H VAL 58 H VAL 58 27.360 4.377 -0.394 148 HA VAL 58 HA VAL 58 25.306 6.003 0.872 149 HB VAL 58 HB VAL 58 24.601 6.731 -1.527 150 H TRP 59 H TRP 59 23.206 5.673 -0.699 151 HA TRP 59 HA TRP 59 23.115 2.822 -1.398 152 HD1 TRP 59 HD1 TRP 59 22.972 3.923 2.427 153 HE1 TRP 59 HE1 TRP 59 23.624 1.798 3.728 154 HE3 TRP 59 HE3 TRP 59 21.052 0.404 -0.752 155 HZ2 TRP 59 HZ2 TRP 59 23.354 -0.998 3.440 156 HZ3 TRP 59 HZ3 TRP 59 21.295 -1.974 -0.162 157 HH2 TRP 59 HH2 TRP 59 22.412 -2.651 1.881 158 H ASN 60 H ASN 60 22.379 2.470 -3.368 159 HA ASN 60 HA ASN 60 21.405 4.548 -5.043 160 HA PRO 61 HA PRO 61 16.994 4.958 -5.302 161 H GLU 62 H GLU 62 16.974 4.649 -3.012 162 HA GLU 62 HA GLU 62 16.479 1.987 -2.004 163 H ALA 63 H ALA 63 14.829 4.987 -1.084 164 HA ALA 63 HA ALA 63 12.431 3.434 -0.655 165 HA PRO 64 HA PRO 64 10.615 5.225 -4.409 166 H ILE 65 H ILE 65 7.798 4.696 -4.678 167 HA ILE 65 HA ILE 65 6.815 6.392 -2.513 168 HB ILE 65 HB ILE 65 4.946 5.549 -4.633 169 H CYS 66 H CYS 66 4.408 5.867 -1.965 170 HA CYS 66 HA CYS 66 3.570 3.185 -1.900 171 H GLU 67 H GLU 67 1.481 2.999 -1.139 172 HA GLU 67 HA GLU 67 0.254 4.970 0.518 173 H SER 68 H SER 68 -2.251 4.638 0.409 174 HA SER 68 HA SER 68 -2.687 1.741 0.448 175 HG SER 68 HG SER 68 -4.805 1.935 3.087 176 H VAL 69 H VAL 69 -3.798 0.808 -1.083 177 HA VAL 69 HA VAL 69 -4.719 1.929 -3.384 178 HB VAL 69 HB VAL 69 -6.331 -0.087 -3.467 179 H LYS 70 H LYS 70 -5.839 3.832 -3.112 180 HA LYS 70 HA LYS 70 -7.994 4.230 -1.371 181 H CYS 71 H CYS 71 -10.101 3.845 -1.477 182 HA CYS 71 HA CYS 71 -11.235 2.883 -4.019 183 H GLN 72 H GLN 72 -12.684 4.226 -4.864 184 HA GLN 72 HA GLN 72 -13.562 6.527 -3.462 185 H SER 73 H SER 73 -16.273 6.694 -4.351 186 HA SER 73 HA SER 73 -17.640 5.794 -2.141 187 HG SER 73 HG SER 73 -20.459 5.873 -4.622 188 HA PRO 74 HA PRO 74 -17.969 1.416 -2.608 189 HA PRO 75 HA PRO 75 -20.154 0.222 -6.213 190 H SER 76 H SER 76 -22.166 0.377 -7.257 191 HA SER 76 HA SER 76 -24.189 1.863 -5.723 192 HG SER 76 HG SER 76 -24.638 4.178 -7.703 193 H ILE 77 H ILE 77 -25.340 0.105 -4.946 194 HA ILE 77 HA ILE 77 -26.230 -2.044 -6.566 195 HB ILE 77 HB ILE 77 -27.670 -2.655 -4.711 196 H SER 78 H SER 78 -28.803 -2.471 -6.319 197 HA SER 78 HA SER 78 -30.056 -0.233 -7.755 198 HG SER 78 HG SER 78 -29.014 -3.194 -8.575 199 H ASN 79 H ASN 79 -32.097 0.508 -7.171 200 HA ASN 79 HA ASN 79 -33.720 1.142 -5.714 201 H GLY 80 H GLY 80 -30.914 1.262 -4.849 202 H ARG 81 H ARG 81 -28.822 1.849 -1.114 203 HA ARG 81 HA ARG 81 -26.879 2.858 -2.906 204 HE ARG 81 HE ARG 81 -30.320 6.564 0.282 205 1HH1 ARG 81 1HH1 ARG 81 -30.661 8.160 -2.794 206 1HH2 ARG 81 1HH2 ARG 81 -31.818 8.097 1.064 207 H HIS 82 H HIS 82 -25.220 4.245 -1.430 208 HA HIS 82 HA HIS 82 -24.737 2.554 0.926 209 HD1 HIS 82 HD1 HIS 82 -22.595 2.547 -2.883 210 HD2 HIS 82 HD2 HIS 82 -22.701 6.118 -0.762 211 HE1 HIS 82 HE1 HIS 82 -22.138 4.349 -4.577 212 HE2 HIS 82 HE2 HIS 82 -22.207 6.503 -3.271 213 H ASN 83 H ASN 83 -23.371 3.671 2.646 214 HA ASN 83 HA ASN 83 -24.642 6.232 3.234 215 H GLY 84 H GLY 84 -21.455 5.235 4.380 216 H TYR 85 H TYR 85 -18.395 8.102 4.869 217 HA TYR 85 HA TYR 85 -20.086 10.498 5.088 218 HD1 TYR 85 HD1 TYR 85 -21.084 8.728 6.362 219 HD2 TYR 85 HD2 TYR 85 -17.604 8.793 8.807 220 HE1 TYR 85 HE1 TYR 85 -21.941 6.798 7.621 221 HE2 TYR 85 HE2 TYR 85 -18.451 6.864 10.075 222 HH TYR 85 HH TYR 85 -20.100 4.909 9.569 223 H GLU 86 H GLU 86 -16.922 9.255 4.314 224 HA GLU 86 HA GLU 86 -15.932 11.881 3.552 225 H ASP 87 H ASP 87 -14.351 11.407 1.422 226 HA ASP 87 HA ASP 87 -16.296 10.774 -0.682 227 H PHE 88 H PHE 88 -13.317 9.764 0.706 228 HA PHE 88 HA PHE 88 -13.090 7.693 -1.361 229 HD1 PHE 88 HD1 PHE 88 -11.928 10.923 -2.380 230 HD2 PHE 88 HD2 PHE 88 -10.341 7.006 -2.851 231 HE1 PHE 88 HE1 PHE 88 -11.756 11.290 -4.805 232 HE2 PHE 88 HE2 PHE 88 -10.165 7.363 -5.272 233 HZ PHE 88 HZ PHE 88 -10.872 9.507 -6.259 234 H TYR 89 H TYR 89 -11.499 5.932 -0.581 235 HA TYR 89 HA TYR 89 -11.526 5.546 2.302 236 HD1 TYR 89 HD1 TYR 89 -14.344 5.467 -0.367 237 HD2 TYR 89 HD2 TYR 89 -14.178 4.193 3.691 238 HE1 TYR 89 HE1 TYR 89 -16.501 6.561 0.060 239 HE2 TYR 89 HE2 TYR 89 -16.338 5.285 4.126 240 HH TYR 89 HH TYR 89 -17.671 7.185 3.120 241 H THR 90 H THR 90 -10.315 3.533 2.921 242 HA THR 90 HA THR 90 -8.323 2.780 0.895 243 HB THR 90 HB THR 90 -6.624 2.879 2.831 244 HG1 THR 90 HG1 THR 90 -8.429 3.285 4.371 245 H ASP 91 H ASP 91 -6.767 1.066 2.183 246 HA ASP 91 HA ASP 91 -8.341 -1.251 2.423 247 H GLY 92 H GLY 92 -9.803 -1.236 3.976 248 H SER 93 H SER 93 -11.323 -0.147 4.477 249 HA SER 93 HA SER 93 -12.642 1.395 6.604 250 HG SER 93 HG SER 93 -10.836 2.725 4.623 251 H VAL 94 H VAL 94 -14.984 1.557 6.575 252 HA VAL 94 HA VAL 94 -16.329 -0.675 5.240 253 HB VAL 94 HB VAL 94 -16.536 -0.038 8.182 254 H VAL 95 H VAL 95 -18.522 -0.387 4.833 255 HA VAL 95 HA VAL 95 -19.737 2.178 5.527 256 HB VAL 95 HB VAL 95 -19.679 1.215 2.672 257 H THR 96 H THR 96 -21.987 2.162 5.491 258 HA THR 96 HA THR 96 -23.173 -0.521 5.319 259 HB THR 96 HB THR 96 -24.986 1.243 6.570 260 HG1 THR 96 HG1 THR 96 -22.410 1.468 7.721 261 H TYR 97 H TYR 97 -24.671 -0.950 3.839 262 HA TYR 97 HA TYR 97 -25.436 1.159 2.005 263 HD1 TYR 97 HD1 TYR 97 -23.038 -0.448 1.889 264 HD2 TYR 97 HD2 TYR 97 -25.868 -0.964 -1.247 265 HE1 TYR 97 HE1 TYR 97 -21.246 -0.187 0.236 266 HE2 TYR 97 HE2 TYR 97 -24.074 -0.710 -2.909 267 HH TYR 97 HH TYR 97 -21.226 -1.156 -2.617 268 H SER 98 H SER 98 -27.641 1.468 1.314 269 HA SER 98 HA SER 98 -29.740 0.507 3.078 270 HG SER 98 HG SER 98 -28.769 3.310 5.053 271 H CYS 99 H CYS 99 -31.740 0.490 2.147 272 HA CYS 99 HA CYS 99 -31.865 0.757 -0.686 273 H ASN 100 H ASN 100 -33.551 2.035 -1.820 274 HA ASN 100 HA ASN 100 -33.587 4.751 -0.759 275 H SER 101 H SER 101 -35.929 2.948 -2.762 276 HA SER 101 HA SER 101 -38.144 4.441 -1.910 277 HG SER 101 HG SER 101 -40.295 2.363 -2.548 278 H GLY 102 H GLY 102 -36.494 1.798 -0.439 279 H TYR 103 H TYR 103 -36.147 -0.087 -0.236 280 HA TYR 103 HA TYR 103 -37.497 -2.580 -0.068 281 HD1 TYR 103 HD1 TYR 103 -36.371 -0.303 -2.741 282 HD2 TYR 103 HD2 TYR 103 -36.690 -4.536 -2.452 283 HE1 TYR 103 HE1 TYR 103 -37.644 -0.345 -4.845 284 HE2 TYR 103 HE2 TYR 103 -37.964 -4.589 -4.555 285 HH TYR 103 HH TYR 103 -39.207 -1.757 -6.023 286 H SER 104 H SER 104 -35.719 -4.504 0.368 287 HA SER 104 HA SER 104 -34.872 -4.095 3.158 288 HG SER 104 HG SER 104 -37.593 -6.443 2.926 289 H LEU 105 H LEU 105 -32.733 -3.707 3.105 290 HA LEU 105 HA LEU 105 -30.916 -4.325 1.188 291 HG LEU 105 HG LEU 105 -28.857 -3.754 1.472 292 H ILE 106 H ILE 106 -30.106 -6.051 0.357 293 HA ILE 106 HA ILE 106 -30.555 -8.635 1.629 294 HB ILE 106 HB ILE 106 -29.559 -7.911 -1.125 295 H GLY 107 H GLY 107 -28.860 -10.164 1.920 296 H ASN 108 H ASN 108 -24.694 -8.461 2.581 297 HA ASN 108 HA ASN 108 -25.412 -7.591 5.303 298 H SER 109 H SER 109 -25.321 -5.453 5.804 299 HA SER 109 HA SER 109 -25.305 -3.598 3.624 300 HG SER 109 HG SER 109 -27.518 -3.579 6.471 301 H GLY 110 H GLY 110 -23.111 -4.566 6.129 302 H VAL 111 H VAL 111 -19.806 -2.007 4.369 303 HA VAL 111 HA VAL 111 -18.982 -4.253 2.647 304 HB VAL 111 HB VAL 111 -18.930 -1.423 1.705 305 H LEU 112 H LEU 112 -16.901 -4.754 2.827 306 HA LEU 112 HA LEU 112 -15.123 -3.026 4.284 307 HG LEU 112 HG LEU 112 -12.586 -4.559 2.967 308 H CYS 113 H CYS 113 -13.840 -1.532 3.467 309 HA CYS 113 HA CYS 113 -13.371 -1.425 0.593 310 H SER 114 H SER 114 -11.804 -2.799 -0.011 311 HA SER 114 HA SER 114 -9.187 -2.529 1.229 312 HG SER 114 HG SER 114 -9.219 -6.314 0.935 313 H GLY 115 H GLY 115 -7.479 -3.639 -0.042 314 H GLY 116 H GLY 116 -8.178 -1.399 -1.774 315 H GLU 117 H GLU 117 -10.427 -2.206 -2.772 316 HA GLU 117 HA GLU 117 -12.507 -1.429 -4.664 317 H TRP 118 H TRP 118 -14.564 -2.818 -4.120 318 HA TRP 118 HA TRP 118 -14.816 -2.823 -1.191 319 HD1 TRP 118 HD1 TRP 118 -15.676 0.073 -4.022 320 HE1 TRP 118 HE1 TRP 118 -15.324 2.291 -2.769 321 HE3 TRP 118 HE3 TRP 118 -16.805 -1.480 0.719 322 HZ2 TRP 118 HZ2 TRP 118 -15.509 3.255 -0.129 323 HZ3 TRP 118 HZ3 TRP 118 -16.692 0.158 2.553 324 HH2 TRP 118 HH2 TRP 118 -16.055 2.479 2.133 325 H SER 119 H SER 119 -15.815 -4.518 -0.161 326 HA SER 119 HA SER 119 -16.584 -6.808 -1.840 327 HG SER 119 HG SER 119 -13.534 -6.335 -0.623 328 H ASP 120 H ASP 120 -18.186 -8.161 -1.039 329 HA ASP 120 HA ASP 120 -20.012 -8.796 0.147 330 HA PRO 121 HA PRO 121 -21.957 -4.583 -0.731 331 HA PRO 122 HA PRO 122 -25.716 -6.990 -0.436 332 H THR 123 H THR 123 -28.151 -6.367 -0.752 333 HA THR 123 HA THR 123 -28.480 -4.923 -3.293 334 HB THR 123 HB THR 123 -30.335 -7.153 -2.987 335 HG1 THR 123 HG1 THR 123 -27.649 -7.851 -3.510 336 H CYS 124 H CYS 124 -31.256 -5.323 -3.500 337 HA CYS 124 HA CYS 124 -32.419 -4.514 -0.984 338 H GLN 125 H GLN 125 -33.717 -6.289 -1.136 339 HA GLN 125 HA GLN 125 -35.728 -6.220 -3.282 340 H ILE 126 H ILE 126 -37.826 -7.038 -2.703 341 HA ILE 126 HA ILE 126 -38.571 -6.233 -0.011 342 HB ILE 126 HB ILE 126 -40.291 -7.030 -2.356 No H/Q in entry = 342 Start of MODEL 21 1 H ARG 7 H ARG 7 34.198 5.625 -1.461 2 HA ARG 7 HA ARG 7 32.476 6.315 -3.537 3 HE ARG 7 HE ARG 7 34.506 4.690 -6.928 4 1HH1 ARG 7 1HH1 ARG 7 35.153 1.300 -6.466 5 1HH2 ARG 7 1HH2 ARG 7 35.698 4.492 -8.861 6 H ARG 8 H ARG 8 30.344 6.112 -3.897 7 HA ARG 8 HA ARG 8 28.625 5.560 -1.665 8 HE ARG 8 HE ARG 8 28.279 9.227 -1.425 9 1HH1 ARG 8 1HH1 ARG 8 25.132 9.957 -2.725 10 1HH2 ARG 8 1HH2 ARG 8 27.673 10.528 0.348 11 H CYS 9 H CYS 9 26.473 4.298 -2.507 12 HA CYS 9 HA CYS 9 27.407 1.582 -2.996 13 HA PRO 10 HA PRO 10 25.931 1.149 -7.097 14 H SER 11 H SER 11 23.547 0.238 -8.128 15 HA SER 11 HA SER 11 21.818 2.451 -7.537 16 HG SER 11 HG SER 11 20.942 2.679 -10.345 17 HA PRO 12 HA PRO 12 19.819 0.037 -4.239 18 H ARG 13 H ARG 13 17.993 -1.199 -4.259 19 HA ARG 13 HA ARG 13 16.649 -1.674 -6.632 20 HE ARG 13 HE ARG 13 14.986 -6.210 -6.158 21 1HH1 ARG 13 1HH1 ARG 13 18.000 -6.674 -4.477 22 1HH2 ARG 13 1HH2 ARG 13 15.113 -8.427 -6.672 23 H ASP 14 H ASP 14 14.205 -1.495 -6.916 24 HA ASP 14 HA ASP 14 13.331 1.174 -6.064 25 H ILE 15 H ILE 15 12.569 -2.030 -6.031 26 HA ILE 15 HA ILE 15 10.751 -3.296 -5.707 27 HB ILE 15 HB ILE 15 10.665 -1.666 -3.765 28 H ASP 16 H ASP 16 8.551 -3.780 -6.365 29 HA ASP 16 HA ASP 16 7.946 -2.438 -8.899 30 H ASN 17 H ASN 17 6.311 -3.693 -6.003 31 HA ASN 17 HA ASN 17 3.885 -2.252 -6.744 32 H GLY 18 H GLY 18 6.109 -0.657 -6.106 33 H GLN 19 H GLN 19 7.114 2.383 -3.151 34 HA GLN 19 HA GLN 19 9.036 2.878 -5.300 35 H LEU 20 H LEU 20 10.725 4.558 -4.348 36 HA LEU 20 HA LEU 20 11.329 3.739 -1.590 37 HG LEU 20 HG LEU 20 13.800 2.053 -4.250 38 H ASP 21 H ASP 21 12.526 5.171 -0.339 39 HA ASP 21 HA ASP 21 12.572 7.952 -1.315 40 H ILE 22 H ILE 22 14.707 7.573 -2.106 41 HA ILE 22 HA ILE 22 16.774 6.664 -0.368 42 HB ILE 22 HB ILE 22 17.166 8.089 -2.975 43 H GLY 23 H GLY 23 17.276 7.904 1.334 44 H GLY 24 H GLY 24 19.501 8.442 0.119 45 H VAL 25 H VAL 25 23.486 8.204 -0.678 46 HA VAL 25 HA VAL 25 22.883 5.323 -0.692 47 HB VAL 25 HB VAL 25 23.817 5.286 -3.039 48 H ASP 26 H ASP 26 24.764 6.878 0.948 49 HA ASP 26 HA ASP 26 27.323 5.841 -0.063 50 H PHE 27 H PHE 27 28.828 5.023 1.631 51 HA PHE 27 HA PHE 27 27.712 2.826 2.956 52 HD1 PHE 27 HD1 PHE 27 28.125 1.737 4.707 53 HD2 PHE 27 HD2 PHE 27 32.067 1.865 3.103 54 HE1 PHE 27 HE1 PHE 27 28.597 -0.463 5.699 55 HE2 PHE 27 HE2 PHE 27 32.542 -0.337 4.092 56 HZ PHE 27 HZ PHE 27 30.806 -1.501 5.393 57 H GLY 28 H GLY 28 26.041 3.478 4.312 58 H SER 29 H SER 29 24.677 4.836 4.126 59 HA SER 29 HA SER 29 22.667 6.383 5.571 60 HG SER 29 HG SER 29 22.237 8.077 4.525 61 H SER 30 H SER 30 20.386 5.983 4.264 62 HA SER 30 HA SER 30 19.819 3.176 3.934 63 HG SER 30 HG SER 30 18.295 5.464 6.555 64 H ILE 31 H ILE 31 17.895 2.781 2.891 65 HA ILE 31 HA ILE 31 16.583 5.164 1.787 66 HB ILE 31 HB ILE 31 15.829 2.566 0.637 67 H THR 32 H THR 32 14.180 4.897 1.345 68 HA THR 32 HA THR 32 12.889 3.350 3.490 69 HB THR 32 HB THR 32 11.479 5.805 2.756 70 HG1 THR 32 HG1 THR 32 12.904 7.226 3.579 71 H TYR 33 H TYR 33 11.651 1.839 2.606 72 HA TYR 33 HA TYR 33 10.602 2.252 -0.083 73 HD1 TYR 33 HD1 TYR 33 13.302 0.873 1.076 74 HD2 TYR 33 HD2 TYR 33 10.609 -0.973 -1.646 75 HE1 TYR 33 HE1 TYR 33 15.177 0.388 -0.437 76 HE2 TYR 33 HE2 TYR 33 12.483 -1.467 -3.170 77 HH TYR 33 HH TYR 33 15.392 -0.020 -3.032 78 H SER 34 H SER 34 8.471 2.032 -0.682 79 HA SER 34 HA SER 34 6.401 1.819 1.337 80 HG SER 34 HG SER 34 6.777 3.671 2.454 81 H CYS 35 H CYS 35 4.388 1.234 0.468 82 HA CYS 35 HA CYS 35 4.505 -0.124 -2.016 83 H ASN 36 H ASN 36 2.788 0.194 -3.721 84 HA ASN 36 HA ASN 36 3.128 2.771 -4.841 85 H SER 37 H SER 37 -0.078 1.310 -4.707 86 HA SER 37 HA SER 37 -1.110 3.437 -3.039 87 HG SER 37 HG SER 37 -2.225 5.639 -4.882 88 H GLY 38 H GLY 38 -2.842 2.780 -1.894 89 H TYR 39 H TYR 39 -1.648 0.639 -1.166 90 HA TYR 39 HA TYR 39 -2.031 -2.266 -0.855 91 HD1 TYR 39 HD1 TYR 39 -2.453 -1.903 -3.173 92 HD2 TYR 39 HD2 TYR 39 1.482 -3.478 -2.823 93 HE1 TYR 39 HE1 TYR 39 -2.909 -3.444 -5.034 94 HE2 TYR 39 HE2 TYR 39 1.037 -5.023 -4.682 95 HH TYR 39 HH TYR 39 -2.111 -5.531 -5.936 96 H HIS 40 H HIS 40 -0.261 -3.210 0.615 97 HA HIS 40 HA HIS 40 0.463 -1.399 2.784 98 HD1 HIS 40 HD1 HIS 40 -0.702 -4.963 5.530 99 HD2 HIS 40 HD2 HIS 40 -1.097 -5.085 1.398 100 HE1 HIS 40 HE1 HIS 40 -0.938 -7.398 4.949 101 HE2 HIS 40 HE2 HIS 40 -1.176 -7.449 2.441 102 H LEU 41 H LEU 41 2.578 -1.546 2.923 103 HA LEU 41 HA LEU 41 4.036 -3.786 1.909 104 HG LEU 41 HG LEU 41 6.536 -3.566 2.431 105 H ILE 42 H ILE 42 4.802 -5.500 2.980 106 HA ILE 42 HA ILE 42 4.406 -5.564 5.890 107 HB ILE 42 HB ILE 42 4.983 -8.042 4.330 108 H GLY 43 H GLY 43 5.983 -6.652 7.210 109 H GLU 44 H GLU 44 10.471 -6.067 6.309 110 HA GLU 44 HA GLU 44 10.649 -3.589 7.723 111 H SER 45 H SER 45 11.834 -1.806 6.137 112 HA SER 45 HA SER 45 10.590 -1.400 3.612 113 HG SER 45 HG SER 45 8.741 1.063 3.636 114 H LYS 46 H LYS 46 13.217 -1.325 4.924 115 HA LYS 46 HA LYS 46 14.074 1.231 3.850 116 H SER 47 H SER 47 15.877 0.979 2.714 117 HA SER 47 HA SER 47 17.403 -1.506 2.959 118 HG SER 47 HG SER 47 18.177 -1.555 -0.223 119 H TYR 48 H TYR 48 19.538 -1.570 3.633 120 HA TYR 48 HA TYR 48 20.609 1.076 4.429 121 HD1 TYR 48 HD1 TYR 48 18.778 1.034 6.146 122 HD2 TYR 48 HD2 TYR 48 20.320 -2.826 7.034 123 HE1 TYR 48 HE1 TYR 48 16.668 0.457 7.272 124 HE2 TYR 48 HE2 TYR 48 18.216 -3.420 8.159 125 HH TYR 48 HH TYR 48 15.960 -2.782 8.302 126 H CYS 49 H CYS 49 22.306 1.762 3.460 127 HA CYS 49 HA CYS 49 23.717 0.182 1.557 128 H GLU 50 H GLU 50 25.262 -1.214 2.001 129 HA GLU 50 HA GLU 50 27.306 -0.513 3.953 130 H LEU 51 H LEU 51 28.922 -2.534 4.001 131 HA LEU 51 HA LEU 51 29.705 -2.874 1.209 132 HG LEU 51 HG LEU 51 30.778 -4.334 4.391 133 H GLY 52 H GLY 52 30.063 -4.852 0.241 134 H SER 53 H SER 53 31.028 -8.684 0.170 135 HA SER 53 HA SER 53 31.965 -9.125 2.929 136 HG SER 53 HG SER 53 31.712 -12.536 2.852 137 H THR 54 H THR 54 32.782 -9.085 -0.487 138 HA THR 54 HA THR 54 35.591 -9.587 0.097 139 HB THR 54 HB THR 54 35.038 -8.922 -2.660 140 HG1 THR 54 HG1 THR 54 33.146 -9.795 -2.825 141 H GLY 55 H GLY 55 34.160 -7.082 0.888 142 H SER 56 H SER 56 32.974 -5.968 -0.875 143 HA SER 56 HA SER 56 32.999 -3.702 -2.722 144 HG SER 56 HG SER 56 31.114 -5.440 -4.998 145 H MET 57 H MET 57 30.216 -3.543 -3.157 146 HA MET 57 HA MET 57 29.298 -2.372 -0.621 147 H VAL 58 H VAL 58 26.960 -2.277 -0.366 148 HA VAL 58 HA VAL 58 25.268 -3.858 -2.050 149 HB VAL 58 HB VAL 58 24.660 -5.426 -0.104 150 H TRP 59 H TRP 59 23.074 -4.219 -0.889 151 HA TRP 59 HA TRP 59 22.498 -1.925 0.864 152 HD1 TRP 59 HD1 TRP 59 22.723 -1.420 -3.170 153 HE1 TRP 59 HE1 TRP 59 23.168 1.098 -3.458 154 HE3 TRP 59 HE3 TRP 59 20.324 0.310 0.999 155 HZ2 TRP 59 HZ2 TRP 59 22.566 3.501 -2.097 156 HZ3 TRP 59 HZ3 TRP 59 20.303 2.733 1.430 157 HH2 TRP 59 HH2 TRP 59 21.398 4.284 -0.082 158 H ASN 60 H ASN 60 21.512 -2.477 2.687 159 HA ASN 60 HA ASN 60 20.671 -5.147 3.216 160 HA PRO 61 HA PRO 61 16.362 -5.993 2.651 161 H GLU 62 H GLU 62 16.067 -4.982 0.733 162 HA GLU 62 HA GLU 62 15.496 -2.128 0.696 163 H ALA 63 H ALA 63 14.155 -4.825 -1.185 164 HA ALA 63 HA ALA 63 11.606 -3.422 -1.254 165 HA PRO 64 HA PRO 64 10.666 -6.905 1.737 166 H ILE 65 H ILE 65 7.883 -6.848 2.383 167 HA ILE 65 HA ILE 65 6.792 -7.841 -0.109 168 HB ILE 65 HB ILE 65 5.275 -7.721 2.457 169 H CYS 66 H CYS 66 4.502 -7.326 -0.647 170 HA CYS 66 HA CYS 66 3.345 -4.880 0.242 171 H GLU 67 H GLU 67 1.216 -5.110 0.064 172 HA GLU 67 HA GLU 67 0.099 -6.568 -2.210 173 H SER 68 H SER 68 -2.381 -6.422 -2.128 174 HA SER 68 HA SER 68 -3.056 -3.632 -1.795 175 HG SER 68 HG SER 68 -4.261 -6.891 -2.791 176 H VAL 69 H VAL 69 -3.867 -2.834 -0.008 177 HA VAL 69 HA VAL 69 -4.607 -4.181 2.267 178 HB VAL 69 HB VAL 69 -6.130 -2.063 2.651 179 H LYS 70 H LYS 70 -5.976 -5.878 2.097 180 HA LYS 70 HA LYS 70 -8.302 -5.970 0.526 181 H CYS 71 H CYS 71 -10.413 -5.509 0.914 182 HA CYS 71 HA CYS 71 -11.077 -4.291 3.515 183 H GLN 72 H GLN 72 -12.705 -5.181 4.552 184 HA GLN 72 HA GLN 72 -14.139 -7.386 3.422 185 H SER 73 H SER 73 -16.648 -7.192 4.435 186 HA SER 73 HA SER 73 -18.168 -6.126 2.519 187 HG SER 73 HG SER 73 -19.011 -7.453 6.167 188 HA PRO 74 HA PRO 74 -17.625 -1.719 2.671 189 HA PRO 75 HA PRO 75 -19.321 0.125 6.277 190 H SER 76 H SER 76 -21.275 0.483 7.431 191 HA SER 76 HA SER 76 -23.603 -0.827 6.204 192 HG SER 76 HG SER 76 -21.790 -2.381 8.017 193 H ILE 77 H ILE 77 -24.475 1.030 5.269 194 HA ILE 77 HA ILE 77 -24.876 3.456 6.674 195 HB ILE 77 HB ILE 77 -26.319 4.114 4.832 196 H SER 78 H SER 78 -27.164 4.409 6.825 197 HA SER 78 HA SER 78 -28.708 2.633 8.532 198 HG SER 78 HG SER 78 -27.853 4.845 10.179 199 H ASN 79 H ASN 79 -30.791 1.980 8.156 200 HA ASN 79 HA ASN 79 -32.585 1.317 6.933 201 H GLY 80 H GLY 80 -29.888 0.709 5.959 202 H ARG 81 H ARG 81 -28.342 -0.931 2.214 203 HA ARG 81 HA ARG 81 -26.216 -1.673 3.940 204 HE ARG 81 HE ARG 81 -30.956 -5.025 2.779 205 1HH1 ARG 81 1HH1 ARG 81 -30.057 -6.558 5.773 206 1HH2 ARG 81 1HH2 ARG 81 -32.914 -6.189 2.957 207 H HIS 82 H HIS 82 -24.931 -3.565 2.642 208 HA HIS 82 HA HIS 82 -24.650 -2.478 -0.072 209 HD1 HIS 82 HD1 HIS 82 -22.503 -5.890 1.248 210 HD2 HIS 82 HD2 HIS 82 -22.131 -2.619 3.781 211 HE1 HIS 82 HE1 HIS 82 -21.776 -6.833 3.463 212 HE2 HIS 82 HE2 HIS 82 -21.555 -4.835 4.981 213 H ASN 83 H ASN 83 -23.682 -4.024 -1.668 214 HA ASN 83 HA ASN 83 -24.789 -6.730 -1.315 215 H GLY 84 H GLY 84 -23.755 -7.652 -3.850 216 H TYR 85 H TYR 85 -19.857 -9.418 -4.824 217 HA TYR 85 HA TYR 85 -21.536 -11.835 -4.758 218 HD1 TYR 85 HD1 TYR 85 -22.343 -10.147 -6.888 219 HD2 TYR 85 HD2 TYR 85 -18.224 -10.486 -7.897 220 HE1 TYR 85 HE1 TYR 85 -22.548 -8.183 -8.354 221 HE2 TYR 85 HE2 TYR 85 -18.417 -8.523 -9.366 222 HH TYR 85 HH TYR 85 -20.450 -6.337 -9.260 223 H GLU 86 H GLU 86 -18.539 -10.409 -3.798 224 HA GLU 86 HA GLU 86 -17.581 -12.951 -2.717 225 H ASP 87 H ASP 87 -16.092 -12.322 -0.652 226 HA ASP 87 HA ASP 87 -17.958 -11.119 1.274 227 H PHE 88 H PHE 88 -14.794 -10.973 -0.086 228 HA PHE 88 HA PHE 88 -14.176 -8.673 1.641 229 HD1 PHE 88 HD1 PHE 88 -13.982 -11.438 3.097 230 HD2 PHE 88 HD2 PHE 88 -10.735 -8.707 2.820 231 HE1 PHE 88 HE1 PHE 88 -13.711 -11.521 5.538 232 HE2 PHE 88 HE2 PHE 88 -10.457 -8.783 5.257 233 HZ PHE 88 HZ PHE 88 -11.946 -10.191 6.627 234 H TYR 89 H TYR 89 -12.221 -7.432 0.495 235 HA TYR 89 HA TYR 89 -12.493 -7.353 -2.388 236 HD1 TYR 89 HD1 TYR 89 -15.153 -6.380 0.345 237 HD2 TYR 89 HD2 TYR 89 -14.839 -5.811 -3.860 238 HE1 TYR 89 HE1 TYR 89 -17.485 -7.108 0.081 239 HE2 TYR 89 HE2 TYR 89 -17.171 -6.540 -4.137 240 HH TYR 89 HH TYR 89 -19.320 -6.874 -1.520 241 H THR 90 H THR 90 -11.068 -5.547 -3.311 242 HA THR 90 HA THR 90 -8.748 -5.082 -1.561 243 HB THR 90 HB THR 90 -7.351 -5.442 -3.693 244 HG1 THR 90 HG1 THR 90 -9.719 -6.818 -4.425 245 H ASP 91 H ASP 91 -7.128 -3.588 -2.900 246 HA ASP 91 HA ASP 91 -8.383 -1.082 -3.093 247 H GLY 92 H GLY 92 -9.966 -1.008 -4.558 248 H SER 93 H SER 93 -11.674 -1.789 -4.985 249 HA SER 93 HA SER 93 -13.209 -3.324 -6.972 250 HG SER 93 HG SER 93 -11.529 -3.641 -4.031 251 H VAL 94 H VAL 94 -15.584 -3.305 -6.700 252 HA VAL 94 HA VAL 94 -16.569 -0.838 -5.462 253 HB VAL 94 HB VAL 94 -17.230 -1.767 -8.258 254 H VAL 95 H VAL 95 -18.823 -0.814 -4.997 255 HA VAL 95 HA VAL 95 -20.285 -3.324 -5.152 256 HB VAL 95 HB VAL 95 -19.889 -1.991 -2.478 257 H THR 96 H THR 96 -22.527 -3.064 -4.907 258 HA THR 96 HA THR 96 -23.396 -0.260 -5.053 259 HB THR 96 HB THR 96 -25.481 -1.940 -5.943 260 HG1 THR 96 HG1 THR 96 -22.965 -2.661 -7.035 261 H TYR 97 H TYR 97 -24.411 0.511 -3.382 262 HA TYR 97 HA TYR 97 -25.309 -1.165 -1.260 263 HD1 TYR 97 HD1 TYR 97 -22.923 -0.148 -1.620 264 HD2 TYR 97 HD2 TYR 97 -25.057 1.768 1.521 265 HE1 TYR 97 HE1 TYR 97 -20.959 -0.370 -0.163 266 HE2 TYR 97 HE2 TYR 97 -23.092 1.561 2.988 267 HH TYR 97 HH TYR 97 -20.525 1.332 2.610 268 H SER 98 H SER 98 -27.458 -0.890 -0.229 269 HA SER 98 HA SER 98 -29.650 -0.174 -1.987 270 HG SER 98 HG SER 98 -27.943 -3.274 -1.954 271 H CYS 99 H CYS 99 -31.411 0.469 -0.883 272 HA CYS 99 HA CYS 99 -31.294 0.716 1.946 273 H ASN 100 H ASN 100 -32.861 -0.122 3.477 274 HA ASN 100 HA ASN 100 -33.391 -2.923 2.996 275 H SER 101 H SER 101 -35.470 -0.575 4.682 276 HA SER 101 HA SER 101 -37.851 -1.903 4.081 277 HG SER 101 HG SER 101 -39.774 -0.397 4.519 278 H GLY 102 H GLY 102 -35.992 0.357 2.223 279 H TYR 103 H TYR 103 -35.385 2.091 1.604 280 HA TYR 103 HA TYR 103 -36.534 4.638 1.149 281 HD1 TYR 103 HD1 TYR 103 -35.400 2.811 4.132 282 HD2 TYR 103 HD2 TYR 103 -35.339 6.911 2.988 283 HE1 TYR 103 HE1 TYR 103 -36.489 3.415 6.253 284 HE2 TYR 103 HE2 TYR 103 -36.427 7.525 5.106 285 HH TYR 103 HH TYR 103 -36.482 6.218 7.593 286 H SER 104 H SER 104 -34.652 6.315 0.298 287 HA SER 104 HA SER 104 -34.122 5.439 -2.464 288 HG SER 104 HG SER 104 -36.391 8.158 -1.428 289 H LEU 105 H LEU 105 -32.047 4.737 -2.335 290 HA LEU 105 HA LEU 105 -30.069 5.546 -0.711 291 HG LEU 105 HG LEU 105 -28.860 3.926 -0.584 292 H ILE 106 H ILE 106 -28.454 6.955 -0.700 293 HA ILE 106 HA ILE 106 -28.724 9.295 -2.462 294 HB ILE 106 HB ILE 106 -27.827 9.104 0.412 295 H GLY 107 H GLY 107 -26.715 10.521 -2.843 296 H ASN 108 H ASN 108 -26.285 8.332 -4.444 297 HA ASN 108 HA ASN 108 -26.222 6.466 -5.716 298 H SER 109 H SER 109 -26.090 4.352 -5.377 299 HA SER 109 HA SER 109 -25.107 3.335 -2.977 300 HG SER 109 HG SER 109 -26.060 0.552 -5.716 301 H GLY 110 H GLY 110 -23.608 3.599 -6.106 302 H VAL 111 H VAL 111 -19.942 1.289 -4.737 303 HA VAL 111 HA VAL 111 -18.744 3.521 -3.240 304 HB VAL 111 HB VAL 111 -18.860 0.766 -2.093 305 H LEU 112 H LEU 112 -16.476 3.355 -2.878 306 HA LEU 112 HA LEU 112 -15.167 1.494 -4.744 307 HG LEU 112 HG LEU 112 -12.316 2.765 -3.737 308 H CYS 113 H CYS 113 -13.830 -0.019 -4.027 309 HA CYS 113 HA CYS 113 -13.185 -0.098 -1.176 310 H SER 114 H SER 114 -11.414 1.088 -0.707 311 HA SER 114 HA SER 114 -8.930 0.464 -2.045 312 HG SER 114 HG SER 114 -8.103 3.448 -3.578 313 H GLY 115 H GLY 115 -7.077 1.580 -1.018 314 H GLY 116 H GLY 116 -7.788 -0.358 1.049 315 H GLU 117 H GLU 117 -9.942 0.791 2.001 316 HA GLU 117 HA GLU 117 -12.032 0.409 3.988 317 H TRP 118 H TRP 118 -13.844 2.185 3.353 318 HA TRP 118 HA TRP 118 -14.215 1.914 0.451 319 HD1 TRP 118 HD1 TRP 118 -15.132 -0.475 3.608 320 HE1 TRP 118 HE1 TRP 118 -15.102 -2.872 2.685 321 HE3 TRP 118 HE3 TRP 118 -16.591 0.481 -1.198 322 HZ2 TRP 118 HZ2 TRP 118 -15.624 -4.185 0.251 323 HZ3 TRP 118 HZ3 TRP 118 -16.806 -1.407 -2.761 324 HH2 TRP 118 HH2 TRP 118 -16.331 -3.695 -2.049 325 H SER 119 H SER 119 -14.348 3.748 -0.636 326 HA SER 119 HA SER 119 -14.911 6.214 0.856 327 HG SER 119 HG SER 119 -11.840 5.537 -0.998 328 H ASP 120 H ASP 120 -16.351 7.732 0.081 329 HA ASP 120 HA ASP 120 -18.156 8.576 -1.006 330 HA PRO 121 HA PRO 121 -20.576 4.684 0.370 331 HA PRO 122 HA PRO 122 -24.018 7.465 -0.018 332 H THR 123 H THR 123 -26.482 7.285 0.494 333 HA THR 123 HA THR 123 -26.908 6.423 3.273 334 HB THR 123 HB THR 123 -28.287 8.920 2.511 335 HG1 THR 123 HG1 THR 123 -26.470 10.209 2.738 336 H CYS 124 H CYS 124 -29.383 6.606 3.743 337 HA CYS 124 HA CYS 124 -30.881 5.961 1.302 338 H GLN 125 H GLN 125 -31.864 7.937 1.278 339 HA GLN 125 HA GLN 125 -33.605 8.556 3.567 340 H ILE 126 H ILE 126 -35.342 10.218 2.727 341 HA ILE 126 HA ILE 126 -36.781 8.801 0.604 342 HB ILE 126 HB ILE 126 -37.811 10.651 2.751 No H/Q in entry = 342 Start of MODEL 22 1 H ARG 7 H ARG 7 34.063 4.230 0.968 2 HA ARG 7 HA ARG 7 33.589 2.625 -1.420 3 HE ARG 7 HE ARG 7 36.683 0.155 -1.754 4 1HH1 ARG 7 1HH1 ARG 7 37.699 -1.505 1.133 5 1HH2 ARG 7 1HH2 ARG 7 38.130 -1.215 -2.862 6 H ARG 8 H ARG 8 31.507 2.992 -2.051 7 HA ARG 8 HA ARG 8 29.358 2.779 -0.093 8 HE ARG 8 HE ARG 8 28.830 1.900 -5.520 9 1HH1 ARG 8 1HH1 ARG 8 25.906 3.792 -5.578 10 1HH2 ARG 8 1HH2 ARG 8 28.098 1.000 -7.481 11 H CYS 9 H CYS 9 27.375 1.568 -0.846 12 HA CYS 9 HA CYS 9 28.111 -1.163 -1.378 13 HA PRO 10 HA PRO 10 26.890 -1.112 -5.650 14 H SER 11 H SER 11 25.068 -1.709 -7.276 15 HA SER 11 HA SER 11 22.862 -0.133 -6.881 16 HG SER 11 HG SER 11 21.750 -0.818 -9.912 17 HA PRO 12 HA PRO 12 20.988 -2.472 -3.478 18 H ARG 13 H ARG 13 19.090 -3.749 -3.218 19 HA ARG 13 HA ARG 13 18.220 -5.079 -5.588 20 HE ARG 13 HE ARG 13 19.225 -7.998 -1.572 21 1HH1 ARG 13 1HH1 ARG 13 16.296 -9.802 -2.108 22 1HH2 ARG 13 1HH2 ARG 13 19.426 -9.203 0.355 23 H ASP 14 H ASP 14 15.675 -5.429 -5.645 24 HA ASP 14 HA ASP 14 14.393 -2.804 -5.547 25 H ILE 15 H ILE 15 12.057 -2.958 -6.120 26 HA ILE 15 HA ILE 15 10.899 -5.462 -5.086 27 HB ILE 15 HB ILE 15 10.724 -3.563 -3.495 28 H ASP 16 H ASP 16 8.961 -6.176 -6.021 29 HA ASP 16 HA ASP 16 8.695 -5.512 -8.786 30 H ASN 17 H ASN 17 6.323 -5.427 -6.116 31 HA ASN 17 HA ASN 17 4.637 -3.678 -7.725 32 H GLY 18 H GLY 18 7.119 -2.635 -6.653 33 H GLN 19 H GLN 19 8.124 1.021 -4.484 34 HA GLN 19 HA GLN 19 10.232 0.965 -6.491 35 H LEU 20 H LEU 20 12.175 1.757 -5.728 36 HA LEU 20 HA LEU 20 12.293 2.161 -2.862 37 HG LEU 20 HG LEU 20 13.968 0.775 -5.848 38 H ASP 21 H ASP 21 13.796 3.795 -1.987 39 HA ASP 21 HA ASP 21 13.891 6.282 -3.548 40 H ILE 22 H ILE 22 16.099 5.790 -3.910 41 HA ILE 22 HA ILE 22 17.894 5.219 -1.780 42 HB ILE 22 HB ILE 22 18.589 6.214 -4.539 43 H GLY 23 H GLY 23 18.218 6.663 -0.231 44 H GLY 24 H GLY 24 20.568 7.001 -1.089 45 H VAL 25 H VAL 25 24.563 6.513 -1.160 46 HA VAL 25 HA VAL 25 23.764 3.686 -0.925 47 HB VAL 25 HB VAL 25 25.240 3.286 -2.917 48 H ASP 26 H ASP 26 25.994 5.982 0.119 49 HA ASP 26 HA ASP 26 28.354 4.428 0.162 50 H PHE 27 H PHE 27 29.475 3.782 2.164 51 HA PHE 27 HA PHE 27 28.116 1.768 3.495 52 HD1 PHE 27 HD1 PHE 27 28.950 0.731 6.041 53 HD2 PHE 27 HD2 PHE 27 31.709 0.771 2.801 54 HE1 PHE 27 HE1 PHE 27 29.370 -1.673 6.376 55 HE2 PHE 27 HE2 PHE 27 32.134 -1.629 3.127 56 HZ PHE 27 HZ PHE 27 30.966 -2.854 4.912 57 H GLY 28 H GLY 28 26.543 1.843 4.921 58 H SER 29 H SER 29 25.310 3.673 3.954 59 HA SER 29 HA SER 29 23.338 5.674 4.432 60 HG SER 29 HG SER 29 24.230 6.864 2.564 61 H SER 30 H SER 30 21.090 5.338 3.325 62 HA SER 30 HA SER 30 20.011 2.679 3.791 63 HG SER 30 HG SER 30 18.617 5.872 5.677 64 H ILE 31 H ILE 31 18.019 2.294 2.785 65 HA ILE 31 HA ILE 31 17.210 4.381 0.864 66 HB ILE 31 HB ILE 31 16.393 1.633 0.227 67 H THR 32 H THR 32 14.870 3.992 0.066 68 HA THR 32 HA THR 32 13.170 3.139 2.309 69 HB THR 32 HB THR 32 12.408 5.512 0.642 70 HG1 THR 32 HG1 THR 32 14.220 5.453 2.800 71 H TYR 33 H TYR 33 11.869 1.573 1.677 72 HA TYR 33 HA TYR 33 11.231 1.278 -1.150 73 HD1 TYR 33 HD1 TYR 33 13.754 -0.125 0.492 74 HD2 TYR 33 HD2 TYR 33 10.848 -2.108 -1.900 75 HE1 TYR 33 HE1 TYR 33 15.555 -1.188 -0.813 76 HE2 TYR 33 HE2 TYR 33 12.638 -3.182 -3.204 77 HH TYR 33 HH TYR 33 16.037 -2.383 -2.670 78 H SER 34 H SER 34 9.229 1.362 -2.002 79 HA SER 34 HA SER 34 6.923 1.660 -0.222 80 HG SER 34 HG SER 34 8.286 4.665 -0.451 81 H CYS 35 H CYS 35 4.861 1.362 -1.325 82 HA CYS 35 HA CYS 35 5.046 -0.673 -3.342 83 H ASN 36 H ASN 36 3.483 -0.537 -5.270 84 HA ASN 36 HA ASN 36 4.342 1.583 -6.929 85 H SER 37 H SER 37 0.905 0.827 -6.637 86 HA SER 37 HA SER 37 0.256 3.405 -5.534 87 HG SER 37 HG SER 37 -1.802 4.528 -6.969 88 H GLY 38 H GLY 38 -1.615 3.317 -4.445 89 H TYR 39 H TYR 39 -0.971 1.099 -3.344 90 HA TYR 39 HA TYR 39 -2.022 -1.562 -2.636 91 HD1 TYR 39 HD1 TYR 39 -2.118 -1.419 -4.989 92 HD2 TYR 39 HD2 TYR 39 1.339 -3.710 -4.038 93 HE1 TYR 39 HE1 TYR 39 -2.709 -3.024 -6.747 94 HE2 TYR 39 HE2 TYR 39 0.756 -5.326 -5.797 95 HH TYR 39 HH TYR 39 -1.006 -6.044 -7.130 96 H HIS 40 H HIS 40 -0.333 -2.529 -0.906 97 HA HIS 40 HA HIS 40 0.306 -0.533 1.108 98 HD1 HIS 40 HD1 HIS 40 -1.514 -3.530 4.151 99 HD2 HIS 40 HD2 HIS 40 -1.496 -4.220 0.058 100 HE1 HIS 40 HE1 HIS 40 -1.948 -5.993 3.884 101 HE2 HIS 40 HE2 HIS 40 -1.932 -6.390 1.395 102 H LEU 41 H LEU 41 2.365 -0.864 1.474 103 HA LEU 41 HA LEU 41 3.620 -3.393 0.954 104 HG LEU 41 HG LEU 41 6.115 -3.310 1.716 105 H ILE 42 H ILE 42 4.023 -4.958 2.370 106 HA ILE 42 HA ILE 42 3.494 -4.395 5.202 107 HB ILE 42 HB ILE 42 3.789 -7.189 4.213 108 H GLY 43 H GLY 43 4.876 -5.148 6.814 109 H GLU 44 H GLU 44 9.318 -5.100 5.907 110 HA GLU 44 HA GLU 44 9.558 -2.535 7.260 111 H SER 45 H SER 45 11.028 -0.967 5.794 112 HA SER 45 HA SER 45 10.204 -0.780 3.036 113 HG SER 45 HG SER 45 8.422 0.581 5.991 114 H LYS 46 H LYS 46 12.650 -0.808 4.764 115 HA LYS 46 HA LYS 46 13.975 1.375 3.421 116 H SER 47 H SER 47 15.917 0.796 2.768 117 HA SER 47 HA SER 47 17.070 -1.686 3.828 118 HG SER 47 HG SER 47 16.968 -0.278 0.098 119 H TYR 48 H TYR 48 19.318 -1.802 4.309 120 HA TYR 48 HA TYR 48 20.487 0.896 4.687 121 HD1 TYR 48 HD1 TYR 48 18.636 1.561 6.286 122 HD2 TYR 48 HD2 TYR 48 19.450 -2.265 7.941 123 HE1 TYR 48 HE1 TYR 48 16.374 1.503 7.256 124 HE2 TYR 48 HE2 TYR 48 17.195 -2.352 8.898 125 HH TYR 48 HH TYR 48 15.274 0.262 9.298 126 H CYS 49 H CYS 49 22.317 1.212 3.777 127 HA CYS 49 HA CYS 49 23.871 -0.874 2.608 128 H GLU 50 H GLU 50 24.672 -2.288 4.087 129 HA GLU 50 HA GLU 50 26.613 -1.178 5.991 130 H LEU 51 H LEU 51 27.976 -2.990 6.927 131 HA LEU 51 HA LEU 51 29.347 -4.213 4.739 132 HG LEU 51 HG LEU 51 29.018 -5.403 8.113 133 H GLY 52 H GLY 52 29.814 -6.439 4.470 134 H SER 53 H SER 53 29.862 -10.294 4.797 135 HA SER 53 HA SER 53 30.074 -10.633 7.711 136 HG SER 53 HG SER 53 31.482 -13.585 6.681 137 H THR 54 H THR 54 31.907 -10.824 4.693 138 HA THR 54 HA THR 54 34.387 -11.208 6.184 139 HB THR 54 HB THR 54 35.428 -11.526 3.989 140 HG1 THR 54 HG1 THR 54 34.174 -10.105 2.765 141 H GLY 55 H GLY 55 33.033 -8.721 6.522 142 H SER 56 H SER 56 32.517 -7.810 4.136 143 HA SER 56 HA SER 56 33.395 -5.934 2.101 144 HG SER 56 HG SER 56 33.392 -7.735 0.089 145 H MET 57 H MET 57 30.952 -5.627 0.731 146 HA MET 57 HA MET 57 29.460 -3.884 2.571 147 H VAL 58 H VAL 58 27.244 -3.878 2.437 148 HA VAL 58 HA VAL 58 25.889 -5.443 0.410 149 HB VAL 58 HB VAL 58 24.635 -6.698 2.289 150 H TRP 59 H TRP 59 23.419 -5.610 1.239 151 HA TRP 59 HA TRP 59 22.685 -2.952 2.273 152 HD1 TRP 59 HD1 TRP 59 23.573 -3.493 -1.719 153 HE1 TRP 59 HE1 TRP 59 24.170 -1.135 -2.539 154 HE3 TRP 59 HE3 TRP 59 20.745 -0.748 1.546 155 HZ2 TRP 59 HZ2 TRP 59 23.556 1.545 -1.868 156 HZ3 TRP 59 HZ3 TRP 59 20.814 1.705 1.390 157 HH2 TRP 59 HH2 TRP 59 22.184 2.819 -0.274 158 H ASN 60 H ASN 60 21.348 -2.992 3.955 159 HA ASN 60 HA ASN 60 20.229 -5.417 4.959 160 HA PRO 61 HA PRO 61 16.147 -6.347 3.700 161 H GLU 62 H GLU 62 15.661 -6.020 1.721 162 HA GLU 62 HA GLU 62 15.647 -3.300 0.658 163 H ALA 63 H ALA 63 14.083 -6.202 -0.648 164 HA ALA 63 HA ALA 63 11.762 -4.554 -1.250 165 HA PRO 64 HA PRO 64 10.075 -7.117 2.281 166 H ILE 65 H ILE 65 7.265 -6.647 2.512 167 HA ILE 65 HA ILE 65 6.346 -8.073 0.155 168 HB ILE 65 HB ILE 65 4.615 -7.379 2.482 169 H CYS 66 H CYS 66 4.158 -7.512 -0.713 170 HA CYS 66 HA CYS 66 3.105 -4.899 -0.410 171 H GLU 67 H GLU 67 1.038 -4.861 -1.121 172 HA GLU 67 HA GLU 67 0.165 -6.643 -3.229 173 H SER 68 H SER 68 -2.280 -6.395 -3.550 174 HA SER 68 HA SER 68 -2.819 -3.564 -3.645 175 HG SER 68 HG SER 68 -4.951 -6.294 -3.774 176 H VAL 69 H VAL 69 -4.141 -2.441 -2.416 177 HA VAL 69 HA VAL 69 -5.012 -3.185 0.050 178 HB VAL 69 HB VAL 69 -6.743 -1.332 -0.199 179 H LYS 70 H LYS 70 -6.094 -5.073 0.318 180 HA LYS 70 HA LYS 70 -8.413 -5.668 -1.306 181 H CYS 71 H CYS 71 -10.115 -4.376 -0.819 182 HA CYS 71 HA CYS 71 -10.827 -3.879 1.966 183 H GLN 72 H GLN 72 -12.120 -5.218 3.039 184 HA GLN 72 HA GLN 72 -13.363 -7.412 1.750 185 H SER 73 H SER 73 -15.862 -7.387 3.289 186 HA SER 73 HA SER 73 -17.586 -6.462 1.377 187 HG SER 73 HG SER 73 -19.900 -7.942 2.734 188 HA PRO 74 HA PRO 74 -17.695 -2.057 1.781 189 HA PRO 75 HA PRO 75 -19.182 -0.749 5.722 190 H SER 76 H SER 76 -21.114 -0.472 6.983 191 HA SER 76 HA SER 76 -23.513 -1.565 5.669 192 HG SER 76 HG SER 76 -22.323 -4.092 7.873 193 H ILE 77 H ILE 77 -24.366 0.468 5.193 194 HA ILE 77 HA ILE 77 -24.640 2.545 7.098 195 HB ILE 77 HB ILE 77 -26.136 3.609 5.515 196 H SER 78 H SER 78 -26.990 3.473 7.430 197 HA SER 78 HA SER 78 -28.439 1.406 8.882 198 HG SER 78 HG SER 78 -29.255 3.302 11.224 199 H ASN 79 H ASN 79 -30.674 1.034 8.618 200 HA ASN 79 HA ASN 79 -32.478 0.514 7.320 201 H GLY 80 H GLY 80 -29.828 0.127 6.078 202 H ARG 81 H ARG 81 -28.395 -0.640 2.067 203 HA ARG 81 HA ARG 81 -26.327 -1.896 3.523 204 HE ARG 81 HE ARG 81 -31.058 -4.871 1.428 205 1HH1 ARG 81 1HH1 ARG 81 -29.845 -7.348 3.552 206 1HH2 ARG 81 1HH2 ARG 81 -32.576 -6.429 0.738 207 H HIS 82 H HIS 82 -25.129 -3.465 1.772 208 HA HIS 82 HA HIS 82 -24.749 -1.714 -0.548 209 HD1 HIS 82 HD1 HIS 82 -23.262 -5.493 -0.406 210 HD2 HIS 82 HD2 HIS 82 -21.904 -3.379 2.903 211 HE1 HIS 82 HE1 HIS 82 -22.514 -7.236 1.245 212 HE2 HIS 82 HE2 HIS 82 -21.695 -5.935 3.241 213 H ASN 83 H ASN 83 -23.935 -2.812 -2.545 214 HA ASN 83 HA ASN 83 -25.622 -5.128 -3.114 215 H GLY 84 H GLY 84 -22.542 -4.541 -4.717 216 H TYR 85 H TYR 85 -21.619 -7.528 -2.091 217 HA TYR 85 HA TYR 85 -22.188 -9.555 -1.409 218 HD1 TYR 85 HD1 TYR 85 -23.917 -8.965 -0.793 219 HD2 TYR 85 HD2 TYR 85 -25.290 -9.247 -4.808 220 HE1 TYR 85 HE1 TYR 85 -25.901 -7.666 -0.195 221 HE2 TYR 85 HE2 TYR 85 -27.292 -7.947 -4.218 222 HH TYR 85 HH TYR 85 -28.117 -6.472 -2.586 223 H GLU 86 H GLU 86 -19.608 -8.799 -2.442 224 HA GLU 86 HA GLU 86 -18.606 -11.333 -3.423 225 H ASP 87 H ASP 87 -16.044 -11.342 -2.466 226 HA ASP 87 HA ASP 87 -16.483 -11.509 0.434 227 H PHE 88 H PHE 88 -14.505 -10.205 -2.074 228 HA PHE 88 HA PHE 88 -13.259 -8.428 -0.173 229 HD1 PHE 88 HD1 PHE 88 -10.490 -8.073 0.711 230 HD2 PHE 88 HD2 PHE 88 -12.087 -11.992 0.305 231 HE1 PHE 88 HE1 PHE 88 -9.795 -8.584 3.005 232 HE2 PHE 88 HE2 PHE 88 -11.395 -12.518 2.604 233 HZ PHE 88 HZ PHE 88 -10.242 -10.813 3.964 234 H TYR 89 H TYR 89 -11.977 -6.732 -1.279 235 HA TYR 89 HA TYR 89 -12.712 -6.335 -4.083 236 HD1 TYR 89 HD1 TYR 89 -14.609 -6.434 -0.978 237 HD2 TYR 89 HD2 TYR 89 -15.574 -4.274 -4.513 238 HE1 TYR 89 HE1 TYR 89 -16.915 -7.273 -0.845 239 HE2 TYR 89 HE2 TYR 89 -17.890 -5.090 -4.387 240 HH TYR 89 HH TYR 89 -19.311 -6.215 -1.855 241 H THR 90 H THR 90 -11.534 -4.384 -4.997 242 HA THR 90 HA THR 90 -8.968 -4.005 -3.603 243 HB THR 90 HB THR 90 -7.921 -4.051 -5.941 244 HG1 THR 90 HG1 THR 90 -9.071 -5.151 -7.500 245 H ASP 91 H ASP 91 -7.633 -2.258 -4.856 246 HA ASP 91 HA ASP 91 -9.031 0.162 -4.600 247 H GLY 92 H GLY 92 -10.696 0.446 -5.835 248 H SER 93 H SER 93 -12.250 -0.677 -6.126 249 HA SER 93 HA SER 93 -14.142 -1.835 -8.029 250 HG SER 93 HG SER 93 -12.313 -2.416 -5.136 251 H VAL 94 H VAL 94 -16.470 -1.774 -7.509 252 HA VAL 94 HA VAL 94 -17.354 0.478 -5.930 253 HB VAL 94 HB VAL 94 -17.709 0.416 -8.919 254 H VAL 95 H VAL 95 -19.230 0.055 -4.990 255 HA VAL 95 HA VAL 95 -20.965 -1.976 -6.163 256 HB VAL 95 HB VAL 95 -21.225 -3.072 -4.153 257 H THR 96 H THR 96 -23.171 -1.665 -5.919 258 HA THR 96 HA THR 96 -23.912 1.057 -5.188 259 HB THR 96 HB THR 96 -26.195 -0.191 -6.154 260 HG1 THR 96 HG1 THR 96 -24.035 -1.010 -7.780 261 H TYR 97 H TYR 97 -24.978 1.573 -3.442 262 HA TYR 97 HA TYR 97 -25.697 -0.488 -1.572 263 HD1 TYR 97 HD1 TYR 97 -23.310 0.319 -1.792 264 HD2 TYR 97 HD2 TYR 97 -25.147 2.003 1.667 265 HE1 TYR 97 HE1 TYR 97 -21.318 -0.221 -0.468 266 HE2 TYR 97 HE2 TYR 97 -23.148 1.467 2.991 267 HH TYR 97 HH TYR 97 -21.123 -0.563 2.521 268 H SER 98 H SER 98 -27.765 -0.375 -0.374 269 HA SER 98 HA SER 98 -30.014 0.727 -1.843 270 HG SER 98 HG SER 98 -29.871 -3.344 -1.841 271 H CYS 99 H CYS 99 -31.650 1.262 -0.541 272 HA CYS 99 HA CYS 99 -31.409 0.934 2.274 273 H ASN 100 H ASN 100 -33.030 -0.078 3.679 274 HA ASN 100 HA ASN 100 -33.811 -2.668 2.606 275 H SER 101 H SER 101 -35.448 -0.759 5.116 276 HA SER 101 HA SER 101 -37.989 -1.697 4.621 277 HG SER 101 HG SER 101 -39.466 0.542 6.581 278 H GLY 102 H GLY 102 -36.245 0.845 2.983 279 H TYR 103 H TYR 103 -35.469 2.516 2.407 280 HA TYR 103 HA TYR 103 -36.410 5.224 2.493 281 HD1 TYR 103 HD1 TYR 103 -35.073 6.981 4.628 282 HD2 TYR 103 HD2 TYR 103 -35.175 2.750 5.070 283 HE1 TYR 103 HE1 TYR 103 -35.986 7.246 6.896 284 HE2 TYR 103 HE2 TYR 103 -36.088 3.003 7.339 285 HH TYR 103 HH TYR 103 -36.044 4.821 9.151 286 H SER 104 H SER 104 -34.356 6.784 1.765 287 HA SER 104 HA SER 104 -34.090 6.287 -1.115 288 HG SER 104 HG SER 104 -35.921 8.017 -1.671 289 H LEU 105 H LEU 105 -32.141 5.668 -1.638 290 HA LEU 105 HA LEU 105 -29.866 5.708 -0.074 291 HG LEU 105 HG LEU 105 -28.671 3.473 -2.636 292 H ILE 106 H ILE 106 -28.794 7.374 0.700 293 HA ILE 106 HA ILE 106 -28.760 9.910 -0.757 294 HB ILE 106 HB ILE 106 -27.965 9.250 2.082 295 H GLY 107 H GLY 107 -26.692 11.144 -0.760 296 H ASN 108 H ASN 108 -26.195 9.463 -2.851 297 HA ASN 108 HA ASN 108 -26.120 7.949 -4.530 298 H SER 109 H SER 109 -26.296 5.845 -4.524 299 HA SER 109 HA SER 109 -25.518 4.251 -2.393 300 HG SER 109 HG SER 109 -26.603 2.151 -5.628 301 H GLY 110 H GLY 110 -23.882 4.963 -5.381 302 H VAL 111 H VAL 111 -20.258 2.262 -4.569 303 HA VAL 111 HA VAL 111 -18.989 4.176 -2.740 304 HB VAL 111 HB VAL 111 -19.211 1.277 -2.048 305 H LEU 112 H LEU 112 -16.942 4.473 -3.337 306 HA LEU 112 HA LEU 112 -15.689 2.615 -5.151 307 HG LEU 112 HG LEU 112 -12.808 3.819 -4.270 308 H CYS 113 H CYS 113 -14.415 0.996 -4.624 309 HA CYS 113 HA CYS 113 -13.436 0.732 -1.890 310 H SER 114 H SER 114 -11.615 1.847 -1.513 311 HA SER 114 HA SER 114 -9.288 1.379 -3.154 312 HG SER 114 HG SER 114 -9.640 5.232 -2.671 313 H GLY 115 H GLY 115 -7.350 2.511 -2.270 314 H GLY 116 H GLY 116 -7.734 0.362 -0.319 315 H GLU 117 H GLU 117 -9.716 1.332 1.039 316 HA GLU 117 HA GLU 117 -11.586 0.527 3.118 317 H TRP 118 H TRP 118 -13.649 1.897 2.914 318 HA TRP 118 HA TRP 118 -14.270 2.117 0.053 319 HD1 TRP 118 HD1 TRP 118 -14.900 -0.810 2.809 320 HE1 TRP 118 HE1 TRP 118 -15.066 -2.986 1.445 321 HE3 TRP 118 HE3 TRP 118 -16.858 1.098 -1.502 322 HZ2 TRP 118 HZ2 TRP 118 -15.935 -3.783 -1.125 323 HZ3 TRP 118 HZ3 TRP 118 -17.333 -0.434 -3.363 324 HH2 TRP 118 HH2 TRP 118 -16.877 -2.820 -3.177 325 H SER 119 H SER 119 -14.699 4.037 -0.813 326 HA SER 119 HA SER 119 -15.103 6.306 1.017 327 HG SER 119 HG SER 119 -12.861 5.062 -0.963 328 H ASP 120 H ASP 120 -16.581 7.931 0.468 329 HA ASP 120 HA ASP 120 -18.498 8.828 -0.352 330 HA PRO 121 HA PRO 121 -20.757 4.807 0.831 331 HA PRO 122 HA PRO 122 -24.257 7.543 1.035 332 H THR 123 H THR 123 -26.691 7.108 1.711 333 HA THR 123 HA THR 123 -26.815 5.919 4.383 334 HB THR 123 HB THR 123 -28.329 8.411 4.191 335 HG1 THR 123 HG1 THR 123 -26.796 9.681 3.582 336 H CYS 124 H CYS 124 -29.449 6.865 4.908 337 HA CYS 124 HA CYS 124 -31.095 6.173 2.655 338 H GLN 125 H GLN 125 -31.987 8.182 2.975 339 HA GLN 125 HA GLN 125 -33.643 8.450 5.393 340 H ILE 126 H ILE 126 -35.597 9.682 5.126 341 HA ILE 126 HA ILE 126 -36.865 9.113 2.573 342 HB ILE 126 HB ILE 126 -38.066 10.178 5.123 No H/Q in entry = 342 Start of MODEL 23 1 H ARG 7 H ARG 7 35.062 3.834 -0.976 2 HA ARG 7 HA ARG 7 34.075 2.039 -1.962 3 HE ARG 7 HE ARG 7 37.108 1.305 -1.102 4 1HH1 ARG 7 1HH1 ARG 7 38.536 -1.818 -0.530 5 1HH2 ARG 7 1HH2 ARG 7 39.244 2.103 -1.122 6 H ARG 8 H ARG 8 32.029 1.249 -2.407 7 HA ARG 8 HA ARG 8 29.901 2.175 -0.590 8 HE ARG 8 HE ARG 8 30.267 5.258 -5.531 9 1HH1 ARG 8 1HH1 ARG 8 31.538 2.053 -6.022 10 1HH2 ARG 8 1HH2 ARG 8 32.087 5.987 -6.697 11 H CYS 9 H CYS 9 27.741 0.934 -1.481 12 HA CYS 9 HA CYS 9 28.299 -1.862 -0.876 13 HA PRO 10 HA PRO 10 27.446 -3.447 -4.877 14 H SER 11 H SER 11 25.365 -4.605 -6.071 15 HA SER 11 HA SER 11 23.606 -2.453 -6.562 16 HG SER 11 HG SER 11 22.139 -4.269 -9.133 17 HA PRO 12 HA PRO 12 20.961 -3.212 -2.977 18 H ARG 13 H ARG 13 19.485 -4.769 -2.730 19 HA ARG 13 HA ARG 13 18.504 -6.319 -4.812 20 HE ARG 13 HE ARG 13 18.325 -10.035 -4.203 21 1HH1 ARG 13 1HH1 ARG 13 15.335 -10.187 -2.415 22 1HH2 ARG 13 1HH2 ARG 13 17.449 -11.689 -5.499 23 H ASP 14 H ASP 14 16.251 -6.645 -5.451 24 HA ASP 14 HA ASP 14 14.946 -4.042 -5.804 25 H ILE 15 H ILE 15 12.504 -4.563 -6.521 26 HA ILE 15 HA ILE 15 11.259 -6.429 -4.651 27 HB ILE 15 HB ILE 15 11.422 -4.376 -3.353 28 H ASP 16 H ASP 16 9.145 -7.020 -5.220 29 HA ASP 16 HA ASP 16 8.444 -6.418 -7.987 30 H ASN 17 H ASN 17 6.169 -5.964 -8.510 31 HA ASN 17 HA ASN 17 4.460 -4.442 -8.402 32 H GLY 18 H GLY 18 7.123 -3.510 -7.475 33 H GLN 19 H GLN 19 8.539 0.072 -5.477 34 HA GLN 19 HA GLN 19 10.446 -0.166 -7.610 35 H LEU 20 H LEU 20 12.471 0.385 -6.991 36 HA LEU 20 HA LEU 20 12.912 1.016 -4.244 37 HG LEU 20 HG LEU 20 15.019 -0.392 -3.721 38 H ASP 21 H ASP 21 14.276 2.771 -3.492 39 HA ASP 21 HA ASP 21 14.260 5.175 -5.170 40 H ILE 22 H ILE 22 16.502 4.314 -5.347 41 HA ILE 22 HA ILE 22 18.200 4.324 -3.057 42 HB ILE 22 HB ILE 22 19.049 4.427 -5.945 43 H GLY 23 H GLY 23 18.803 6.076 -2.023 44 H GLY 24 H GLY 24 21.053 6.010 -2.845 45 H VAL 25 H VAL 25 24.985 5.283 -2.905 46 HA VAL 25 HA VAL 25 24.093 2.814 -1.560 47 HB VAL 25 HB VAL 25 25.274 1.554 -3.324 48 H ASP 26 H ASP 26 25.853 4.917 -0.483 49 HA ASP 26 HA ASP 26 28.435 3.529 -0.397 50 H PHE 27 H PHE 27 29.477 3.121 1.629 51 HA PHE 27 HA PHE 27 27.992 1.743 3.480 52 HD1 PHE 27 HD1 PHE 27 28.222 0.731 5.272 53 HD2 PHE 27 HD2 PHE 27 31.881 2.828 5.846 54 HE1 PHE 27 HE1 PHE 27 28.304 -0.056 7.603 55 HE2 PHE 27 HE2 PHE 27 31.969 2.045 8.176 56 HZ PHE 27 HZ PHE 27 30.179 0.602 9.058 57 H GLY 28 H GLY 28 26.311 2.487 4.586 58 H SER 29 H SER 29 25.324 4.091 3.289 59 HA SER 29 HA SER 29 23.568 6.325 3.207 60 HG SER 29 HG SER 29 24.100 3.524 0.326 61 H SER 30 H SER 30 21.390 5.396 1.735 62 HA SER 30 HA SER 30 20.039 3.271 3.057 63 HG SER 30 HG SER 30 19.017 6.949 3.648 64 H ILE 31 H ILE 31 18.190 2.659 2.018 65 HA ILE 31 HA ILE 31 17.508 4.211 -0.393 66 HB ILE 31 HB ILE 31 16.634 1.390 -0.255 67 H THR 32 H THR 32 15.178 3.609 -1.160 68 HA THR 32 HA THR 32 13.369 3.409 1.133 69 HB THR 32 HB THR 32 12.400 5.264 -0.900 70 HG1 THR 32 HG1 THR 32 13.881 6.802 -0.721 71 H TYR 33 H TYR 33 12.164 1.693 0.795 72 HA TYR 33 HA TYR 33 11.620 0.800 -1.919 73 HD1 TYR 33 HD1 TYR 33 13.867 -0.370 0.607 74 HD2 TYR 33 HD2 TYR 33 11.392 -2.454 -2.157 75 HE1 TYR 33 HE1 TYR 33 15.812 -1.675 -0.141 76 HE2 TYR 33 HE2 TYR 33 13.333 -3.765 -2.915 77 HH TYR 33 HH TYR 33 15.610 -4.465 -1.852 78 H SER 34 H SER 34 9.669 0.818 -2.916 79 HA SER 34 HA SER 34 7.306 1.632 -1.398 80 HG SER 34 HG SER 34 8.589 4.704 -2.182 81 H CYS 35 H CYS 35 5.302 1.289 -2.524 82 HA CYS 35 HA CYS 35 5.414 -1.044 -4.230 83 H ASN 36 H ASN 36 3.934 -1.156 -6.149 84 HA ASN 36 HA ASN 36 4.709 0.792 -8.033 85 H SER 37 H SER 37 1.302 -0.086 -7.766 86 HA SER 37 HA SER 37 0.542 2.615 -7.050 87 HG SER 37 HG SER 37 -0.158 4.121 -8.456 88 H GLY 38 H GLY 38 -1.336 2.658 -5.953 89 H TYR 39 H TYR 39 -0.570 0.667 -4.495 90 HA TYR 39 HA TYR 39 -1.524 -1.834 -3.264 91 HD1 TYR 39 HD1 TYR 39 -1.698 -2.162 -5.548 92 HD2 TYR 39 HD2 TYR 39 1.913 -4.074 -4.366 93 HE1 TYR 39 HE1 TYR 39 -2.265 -4.092 -6.962 94 HE2 TYR 39 HE2 TYR 39 1.356 -6.010 -5.775 95 HH TYR 39 HH TYR 39 -0.014 -6.550 -7.704 96 H HIS 40 H HIS 40 0.256 -2.390 -1.410 97 HA HIS 40 HA HIS 40 0.856 -0.033 0.174 98 HD1 HIS 40 HD1 HIS 40 -1.380 -2.351 3.635 99 HD2 HIS 40 HD2 HIS 40 -0.796 -3.818 -0.206 100 HE1 HIS 40 HE1 HIS 40 -1.855 -4.817 3.777 101 HE2 HIS 40 HE2 HIS 40 -1.496 -5.685 1.439 102 H LEU 41 H LEU 41 2.910 -0.311 0.677 103 HA LEU 41 HA LEU 41 4.135 -2.888 0.736 104 HG LEU 41 HG LEU 41 6.601 -2.667 1.740 105 H ILE 42 H ILE 42 4.547 -4.175 2.425 106 HA ILE 42 HA ILE 42 3.654 -3.240 5.063 107 HB ILE 42 HB ILE 42 4.245 -6.115 4.496 108 H GLY 43 H GLY 43 4.881 -3.765 6.940 109 H GLU 44 H GLU 44 9.423 -3.740 6.478 110 HA GLU 44 HA GLU 44 9.675 -0.949 7.169 111 H SER 45 H SER 45 10.956 0.421 5.480 112 HA SER 45 HA SER 45 10.225 -0.049 2.729 113 HG SER 45 HG SER 45 8.896 1.703 1.487 114 H LYS 46 H LYS 46 12.607 0.359 4.428 115 HA LYS 46 HA LYS 46 13.997 2.195 2.700 116 H SER 47 H SER 47 15.903 1.251 2.284 117 HA SER 47 HA SER 47 16.928 -0.757 4.138 118 HG SER 47 HG SER 47 18.549 -2.477 2.091 119 H TYR 48 H TYR 48 19.176 -0.770 4.754 120 HA TYR 48 HA TYR 48 20.423 1.889 4.650 121 HD1 TYR 48 HD1 TYR 48 18.589 2.908 5.720 122 HD2 TYR 48 HD2 TYR 48 18.890 -0.298 8.496 123 HE1 TYR 48 HE1 TYR 48 16.271 3.313 6.429 124 HE2 TYR 48 HE2 TYR 48 16.572 0.095 9.211 125 HH TYR 48 HH TYR 48 14.876 2.877 8.511 126 H CYS 49 H CYS 49 22.185 1.742 3.504 127 HA CYS 49 HA CYS 49 23.619 -0.606 2.957 128 H GLU 50 H GLU 50 23.952 -1.581 4.952 129 HA GLU 50 HA GLU 50 25.774 -0.255 6.815 130 H LEU 51 H LEU 51 27.073 -2.295 7.996 131 HA LEU 51 HA LEU 51 28.758 -3.311 5.814 132 HG LEU 51 HG LEU 51 28.719 -3.529 9.417 133 H GLY 52 H GLY 52 29.190 -5.432 5.608 134 H SER 53 H SER 53 28.928 -9.635 6.823 135 HA SER 53 HA SER 53 30.742 -11.013 7.057 136 HG SER 53 HG SER 53 32.058 -11.847 4.605 137 H THR 54 H THR 54 30.639 -8.671 8.821 138 HA THR 54 HA THR 54 31.895 -7.947 10.586 139 HB THR 54 HB THR 54 33.910 -8.923 11.142 140 HG1 THR 54 HG1 THR 54 35.400 -8.508 9.719 141 H GLY 55 H GLY 55 33.789 -7.800 7.555 142 H SER 56 H SER 56 32.119 -6.062 6.381 143 HA SER 56 HA SER 56 33.074 -5.171 3.739 144 HG SER 56 HG SER 56 31.306 -7.665 1.992 145 H MET 57 H MET 57 30.699 -5.161 2.383 146 HA MET 57 HA MET 57 29.062 -3.232 3.886 147 H VAL 58 H VAL 58 26.845 -3.341 3.643 148 HA VAL 58 HA VAL 58 25.673 -5.279 1.839 149 HB VAL 58 HB VAL 58 24.363 -6.270 3.846 150 H TRP 59 H TRP 59 23.181 -5.435 2.475 151 HA TRP 59 HA TRP 59 22.252 -2.695 3.026 152 HD1 TRP 59 HD1 TRP 59 23.320 -4.221 -0.729 153 HE1 TRP 59 HE1 TRP 59 24.182 -2.142 -1.979 154 HE3 TRP 59 HE3 TRP 59 20.603 -0.633 1.702 155 HZ2 TRP 59 HZ2 TRP 59 23.759 0.652 -1.937 156 HZ3 TRP 59 HZ3 TRP 59 20.895 1.716 1.033 157 HH2 TRP 59 HH2 TRP 59 22.432 2.336 -0.739 158 H ASN 60 H ASN 60 20.908 -2.548 4.704 159 HA ASN 60 HA ASN 60 19.055 -4.725 5.257 160 HA PRO 61 HA PRO 61 17.233 -5.117 6.064 161 H GLU 62 H GLU 62 15.479 -5.867 4.175 162 HA GLU 62 HA GLU 62 16.692 -4.918 1.688 163 H ALA 63 H ALA 63 14.756 -6.384 0.086 164 HA ALA 63 HA ALA 63 12.803 -4.366 -0.238 165 HA PRO 64 HA PRO 64 10.119 -6.118 2.946 166 H ILE 65 H ILE 65 7.320 -5.398 2.696 167 HA ILE 65 HA ILE 65 6.594 -7.290 0.590 168 HB ILE 65 HB ILE 65 4.683 -6.208 2.610 169 H CYS 66 H CYS 66 4.498 -6.883 -0.541 170 HA CYS 66 HA CYS 66 3.524 -4.213 -0.791 171 H GLU 67 H GLU 67 1.433 -4.361 -1.316 172 HA GLU 67 HA GLU 67 0.508 -6.376 -3.186 173 H SER 68 H SER 68 -2.049 -6.239 -3.209 174 HA SER 68 HA SER 68 -2.659 -3.423 -3.647 175 HG SER 68 HG SER 68 -4.200 -6.634 -3.654 176 H VAL 69 H VAL 69 -3.552 -2.282 -2.088 177 HA VAL 69 HA VAL 69 -4.411 -3.055 0.358 178 HB VAL 69 HB VAL 69 -5.944 -1.012 0.290 179 H LYS 70 H LYS 70 -5.634 -4.888 0.500 180 HA LYS 70 HA LYS 70 -8.025 -5.263 -1.033 181 H CYS 71 H CYS 71 -9.954 -4.435 -0.607 182 HA CYS 71 HA CYS 71 -10.551 -3.541 2.130 183 H GLN 72 H GLN 72 -11.955 -4.652 3.299 184 HA GLN 72 HA GLN 72 -13.184 -6.994 2.271 185 H SER 73 H SER 73 -15.725 -6.852 3.615 186 HA SER 73 HA SER 73 -17.352 -5.972 1.561 187 HG SER 73 HG SER 73 -19.358 -7.280 2.092 188 HA PRO 74 HA PRO 74 -17.363 -1.575 1.856 189 HA PRO 75 HA PRO 75 -18.737 -0.154 5.770 190 H SER 76 H SER 76 -20.542 0.002 7.132 191 HA SER 76 HA SER 76 -23.024 -1.065 5.966 192 HG SER 76 HG SER 76 -24.102 -2.693 8.459 193 H ILE 77 H ILE 77 -23.954 0.895 5.397 194 HA ILE 77 HA ILE 77 -24.092 3.134 7.121 195 HB ILE 77 HB ILE 77 -25.743 4.040 5.579 196 H SER 78 H SER 78 -26.298 4.106 7.699 197 HA SER 78 HA SER 78 -27.673 2.148 9.351 198 HG SER 78 HG SER 78 -26.472 5.474 9.206 199 H ASN 79 H ASN 79 -29.701 1.456 9.076 200 HA ASN 79 HA ASN 79 -31.740 1.098 8.148 201 H GLY 80 H GLY 80 -29.199 0.512 6.756 202 H ARG 81 H ARG 81 -28.092 -0.666 2.744 203 HA ARG 81 HA ARG 81 -25.940 -1.843 4.156 204 HE ARG 81 HE ARG 81 -31.201 -5.437 3.302 205 1HH1 ARG 81 1HH1 ARG 81 -28.003 -6.135 2.116 206 1HH2 ARG 81 1HH2 ARG 81 -31.951 -6.696 1.553 207 H HIS 82 H HIS 82 -24.870 -3.564 2.487 208 HA HIS 82 HA HIS 82 -24.800 -2.167 -0.105 209 HD1 HIS 82 HD1 HIS 82 -22.192 -2.320 3.357 210 HD2 HIS 82 HD2 HIS 82 -22.175 -5.701 0.941 211 HE1 HIS 82 HE1 HIS 82 -21.297 -4.174 4.801 212 HE2 HIS 82 HE2 HIS 82 -21.295 -6.211 3.319 213 H ASN 83 H ASN 83 -23.938 -3.595 -1.916 214 HA ASN 83 HA ASN 83 -25.436 -6.101 -1.833 215 H GLY 84 H GLY 84 -22.584 -5.567 -3.838 216 H TYR 85 H TYR 85 -20.046 -8.701 -4.759 217 HA TYR 85 HA TYR 85 -21.812 -10.956 -4.098 218 HD1 TYR 85 HD1 TYR 85 -20.652 -8.283 -6.903 219 HD2 TYR 85 HD2 TYR 85 -23.631 -11.316 -6.754 220 HE1 TYR 85 HE1 TYR 85 -22.252 -6.756 -7.977 221 HE2 TYR 85 HE2 TYR 85 -25.239 -9.798 -7.830 222 HH TYR 85 HH TYR 85 -25.352 -6.994 -7.913 223 H GLU 86 H GLU 86 -18.555 -9.811 -4.199 224 HA GLU 86 HA GLU 86 -17.445 -12.438 -3.618 225 H ASP 87 H ASP 87 -15.408 -11.942 -1.935 226 HA ASP 87 HA ASP 87 -16.787 -11.155 0.536 227 H PHE 88 H PHE 88 -14.150 -10.384 -1.535 228 HA PHE 88 HA PHE 88 -13.392 -8.213 0.279 229 HD1 PHE 88 HD1 PHE 88 -12.443 -11.316 1.510 230 HD2 PHE 88 HD2 PHE 88 -10.238 -7.697 1.158 231 HE1 PHE 88 HE1 PHE 88 -11.880 -11.432 3.900 232 HE2 PHE 88 HE2 PHE 88 -9.671 -7.804 3.541 233 HZ PHE 88 HZ PHE 88 -10.490 -9.674 4.924 234 H TYR 89 H TYR 89 -11.884 -6.635 -0.891 235 HA TYR 89 HA TYR 89 -12.358 -6.517 -3.768 236 HD1 TYR 89 HD1 TYR 89 -14.558 -6.073 -0.731 237 HD2 TYR 89 HD2 TYR 89 -15.143 -4.844 -4.761 238 HE1 TYR 89 HE1 TYR 89 -16.849 -6.961 -0.661 239 HE2 TYR 89 HE2 TYR 89 -17.438 -5.729 -4.703 240 HH TYR 89 HH TYR 89 -18.587 -7.757 -3.066 241 H THR 90 H THR 90 -11.127 -4.689 -4.782 242 HA THR 90 HA THR 90 -8.672 -4.115 -3.257 243 HB THR 90 HB THR 90 -7.515 -4.220 -5.539 244 HG1 THR 90 HG1 THR 90 -8.585 -5.005 -7.186 245 H ASP 91 H ASP 91 -7.344 -2.400 -4.680 246 HA ASP 91 HA ASP 91 -8.836 -0.005 -4.517 247 H GLY 92 H GLY 92 -10.534 0.033 -5.840 248 H SER 93 H SER 93 -12.313 -0.606 -6.145 249 HA SER 93 HA SER 93 -13.973 -2.141 -8.028 250 HG SER 93 HG SER 93 -12.111 -2.459 -5.118 251 H VAL 94 H VAL 94 -16.319 -2.236 -7.448 252 HA VAL 94 HA VAL 94 -17.268 0.145 -6.041 253 HB VAL 94 HB VAL 94 -18.049 -0.580 -8.866 254 H VAL 95 H VAL 95 -19.343 0.002 -5.211 255 HA VAL 95 HA VAL 95 -20.850 -2.471 -5.594 256 HB VAL 95 HB VAL 95 -20.157 -1.508 -2.825 257 H THR 96 H THR 96 -23.041 -2.287 -5.108 258 HA THR 96 HA THR 96 -23.970 0.481 -4.863 259 HB THR 96 HB THR 96 -26.187 -1.029 -5.493 260 HG1 THR 96 HG1 THR 96 -25.625 -2.634 -6.772 261 H TYR 97 H TYR 97 -25.273 1.150 -3.252 262 HA TYR 97 HA TYR 97 -25.656 -0.715 -1.032 263 HD1 TYR 97 HD1 TYR 97 -23.221 0.378 -1.512 264 HD2 TYR 97 HD2 TYR 97 -25.114 1.946 1.958 265 HE1 TYR 97 HE1 TYR 97 -21.143 0.063 -0.243 266 HE2 TYR 97 HE2 TYR 97 -23.036 1.641 3.235 267 HH TYR 97 HH TYR 97 -20.379 1.504 2.432 268 H SER 98 H SER 98 -27.658 -0.728 0.156 269 HA SER 98 HA SER 98 -30.013 0.331 -1.191 270 HG SER 98 HG SER 98 -30.274 -3.368 -0.095 271 H CYS 99 H CYS 99 -31.726 0.708 0.159 272 HA CYS 99 HA CYS 99 -31.211 0.746 2.955 273 H ASN 100 H ASN 100 -32.566 -0.252 4.608 274 HA ASN 100 HA ASN 100 -33.098 -3.029 3.934 275 H SER 101 H SER 101 -34.765 -0.783 6.146 276 HA SER 101 HA SER 101 -37.224 -2.135 6.005 277 HG SER 101 HG SER 101 -37.981 -0.327 8.734 278 H GLY 102 H GLY 102 -35.775 0.171 3.895 279 H TYR 103 H TYR 103 -35.385 2.010 3.436 280 HA TYR 103 HA TYR 103 -36.563 4.584 3.298 281 HD1 TYR 103 HD1 TYR 103 -35.290 6.643 5.137 282 HD2 TYR 103 HD2 TYR 103 -34.739 2.499 5.935 283 HE1 TYR 103 HE1 TYR 103 -35.991 7.003 7.468 284 HE2 TYR 103 HE2 TYR 103 -35.439 2.848 8.266 285 HH TYR 103 HH TYR 103 -35.703 5.919 9.666 286 H SER 104 H SER 104 -34.867 6.315 2.275 287 HA SER 104 HA SER 104 -34.645 5.567 -0.568 288 HG SER 104 HG SER 104 -36.874 6.617 -0.582 289 H LEU 105 H LEU 105 -32.587 4.977 -0.851 290 HA LEU 105 HA LEU 105 -30.409 5.603 0.626 291 HG LEU 105 HG LEU 105 -28.482 4.784 0.060 292 H ILE 106 H ILE 106 -29.133 7.214 0.945 293 HA ILE 106 HA ILE 106 -29.573 9.705 -0.510 294 HB ILE 106 HB ILE 106 -28.074 9.095 2.038 295 H GLY 107 H GLY 107 -27.680 10.962 -1.212 296 H ASN 108 H ASN 108 -24.293 8.337 -2.642 297 HA ASN 108 HA ASN 108 -25.868 7.465 -4.969 298 H SER 109 H SER 109 -26.158 5.315 -5.179 299 HA SER 109 HA SER 109 -25.667 3.585 -3.036 300 HG SER 109 HG SER 109 -25.869 3.291 -6.666 301 H GLY 110 H GLY 110 -23.886 4.300 -5.936 302 H VAL 111 H VAL 111 -20.384 1.744 -4.607 303 HA VAL 111 HA VAL 111 -19.152 4.016 -3.194 304 HB VAL 111 HB VAL 111 -19.183 1.216 -2.149 305 H LEU 112 H LEU 112 -17.091 4.355 -3.722 306 HA LEU 112 HA LEU 112 -15.749 2.461 -5.428 307 HG LEU 112 HG LEU 112 -12.898 3.904 -4.750 308 H CYS 113 H CYS 113 -14.339 0.972 -4.868 309 HA CYS 113 HA CYS 113 -13.339 0.895 -2.120 310 H SER 114 H SER 114 -11.708 2.434 -2.195 311 HA SER 114 HA SER 114 -9.416 1.746 -3.903 312 HG SER 114 HG SER 114 -9.402 4.438 -5.712 313 H GLY 115 H GLY 115 -7.346 2.424 -3.123 314 H GLY 116 H GLY 116 -8.030 0.452 -1.134 315 H GLU 117 H GLU 117 -9.469 1.913 0.535 316 HA GLU 117 HA GLU 117 -11.397 1.282 2.658 317 H TRP 118 H TRP 118 -13.495 2.253 2.388 318 HA TRP 118 HA TRP 118 -14.252 2.379 -0.430 319 HD1 TRP 118 HD1 TRP 118 -14.670 -0.300 2.663 320 HE1 TRP 118 HE1 TRP 118 -14.757 -2.608 1.532 321 HE3 TRP 118 HE3 TRP 118 -16.753 1.057 -1.801 322 HZ2 TRP 118 HZ2 TRP 118 -15.598 -3.709 -0.919 323 HZ3 TRP 118 HZ3 TRP 118 -17.168 -0.686 -3.486 324 HH2 TRP 118 HH2 TRP 118 -16.599 -3.023 -3.053 325 H SER 119 H SER 119 -15.170 4.141 -1.379 326 HA SER 119 HA SER 119 -15.535 6.512 0.327 327 HG SER 119 HG SER 119 -14.334 8.717 -0.876 328 H ASP 120 H ASP 120 -16.727 8.242 -1.045 329 HA ASP 120 HA ASP 120 -18.863 8.898 -1.543 330 HA PRO 121 HA PRO 121 -21.024 5.003 -0.034 331 HA PRO 122 HA PRO 122 -24.609 7.625 0.425 332 H THR 123 H THR 123 -26.933 7.141 1.380 333 HA THR 123 HA THR 123 -26.705 5.994 4.070 334 HB THR 123 HB THR 123 -28.340 8.421 3.989 335 HG1 THR 123 HG1 THR 123 -26.422 9.775 4.047 336 H CYS 124 H CYS 124 -29.333 6.894 4.844 337 HA CYS 124 HA CYS 124 -31.153 6.000 2.812 338 H GLN 125 H GLN 125 -32.113 7.979 3.114 339 HA GLN 125 HA GLN 125 -33.545 8.303 5.660 340 H ILE 126 H ILE 126 -35.583 9.460 5.500 341 HA ILE 126 HA ILE 126 -37.108 8.524 3.225 342 HB ILE 126 HB ILE 126 -38.016 10.019 5.683 No H/Q in entry = 342 Start of MODEL 24 1 H ARG 7 H ARG 7 -34.326 0.299 3.893 2 HA ARG 7 HA ARG 7 -33.606 2.906 2.780 3 HE ARG 7 HE ARG 7 -37.653 3.402 4.797 4 1HH1 ARG 7 1HH1 ARG 7 -37.295 1.415 7.633 5 1HH2 ARG 7 1HH2 ARG 7 -39.901 3.236 5.160 6 H ARG 8 H ARG 8 -31.473 3.810 3.300 7 HA ARG 8 HA ARG 8 -29.246 3.711 2.823 8 HE ARG 8 HE ARG 8 -29.187 6.286 6.705 9 1HH1 ARG 8 1HH1 ARG 8 -30.576 3.568 8.379 10 1HH2 ARG 8 1HH2 ARG 8 -30.588 7.575 7.963 11 H CYS 9 H CYS 9 -27.336 1.741 3.187 12 HA CYS 9 HA CYS 9 -28.095 -0.225 1.128 13 HA PRO 10 HA PRO 10 -27.064 -3.516 3.866 14 H SER 11 H SER 11 -25.214 -4.817 4.736 15 HA SER 11 HA SER 11 -23.118 -3.215 5.484 16 HG SER 11 HG SER 11 -21.620 -6.415 5.022 17 HA PRO 12 HA PRO 12 -20.766 -2.958 1.665 18 H ARG 13 H ARG 13 -19.069 -4.086 0.720 19 HA ARG 13 HA ARG 13 -18.351 -6.557 1.947 20 HE ARG 13 HE ARG 13 -16.383 -9.733 -0.427 21 1HH1 ARG 13 1HH1 ARG 13 -19.619 -9.383 -1.664 22 1HH2 ARG 13 1HH2 ARG 13 -16.985 -11.869 0.097 23 H ASP 14 H ASP 14 -16.566 -7.164 2.930 24 HA ASP 14 HA ASP 14 -14.887 -5.134 3.969 25 H ILE 15 H ILE 15 -12.454 -5.972 4.240 26 HA ILE 15 HA ILE 15 -11.347 -6.774 1.656 27 HB ILE 15 HB ILE 15 -11.468 -4.335 1.524 28 H ASP 16 H ASP 16 -9.238 -7.600 1.771 29 HA ASP 16 HA ASP 16 -8.414 -8.392 4.459 30 H ASN 17 H ASN 17 -6.066 -8.330 4.960 31 HA ASN 17 HA ASN 17 -4.276 -6.989 5.455 32 H GLY 18 H GLY 18 -6.916 -5.692 5.348 33 H GLN 19 H GLN 19 -8.096 -1.493 5.769 34 HA GLN 19 HA GLN 19 -10.493 -2.963 6.606 35 H LEU 20 H LEU 20 -12.435 -1.646 6.666 36 HA LEU 20 HA LEU 20 -12.349 0.438 4.634 37 HG LEU 20 HG LEU 20 -14.224 -2.474 5.896 38 H ASP 21 H ASP 21 -13.760 2.361 4.969 39 HA ASP 21 HA ASP 21 -13.777 3.277 7.766 40 H ILE 22 H ILE 22 -16.019 2.604 7.625 41 HA ILE 22 HA ILE 22 -17.815 3.711 5.754 42 HB ILE 22 HB ILE 22 -18.419 2.551 8.472 43 H GLY 23 H GLY 23 -18.502 5.694 5.583 44 H GLY 24 H GLY 24 -20.625 5.690 5.930 45 H VAL 25 H VAL 25 -24.240 5.310 5.569 46 HA VAL 25 HA VAL 25 -23.558 3.611 3.262 47 HB VAL 25 HB VAL 25 -24.669 1.769 4.363 48 H ASP 26 H ASP 26 -25.165 6.063 3.173 49 HA ASP 26 HA ASP 26 -27.827 4.985 2.593 50 H PHE 27 H PHE 27 -28.932 5.837 0.657 51 HA PHE 27 HA PHE 27 -27.497 5.225 -1.669 52 HD1 PHE 27 HD1 PHE 27 -27.723 5.172 -3.682 53 HD2 PHE 27 HD2 PHE 27 -31.488 7.108 -3.238 54 HE1 PHE 27 HE1 PHE 27 -27.867 5.443 -6.123 55 HE2 PHE 27 HE2 PHE 27 -31.637 7.385 -5.679 56 HZ PHE 27 HZ PHE 27 -29.825 6.552 -7.124 57 H GLY 28 H GLY 28 -25.653 6.485 -1.773 58 H SER 29 H SER 29 -24.341 7.072 -0.514 59 HA SER 29 HA SER 29 -22.565 9.194 0.428 60 HG SER 29 HG SER 29 -24.353 7.917 3.056 61 H SER 30 H SER 30 -20.567 7.488 1.517 62 HA SER 30 HA SER 30 -19.473 5.789 -0.467 63 HG SER 30 HG SER 30 -17.907 9.028 0.486 64 H ILE 31 H ILE 31 -17.807 4.585 0.287 65 HA ILE 31 HA ILE 31 -17.051 5.049 3.085 66 HB ILE 31 HB ILE 31 -16.229 2.521 1.789 67 H THR 32 H THR 32 -14.750 4.229 3.609 68 HA THR 32 HA THR 32 -12.897 4.933 1.450 69 HB THR 32 HB THR 32 -11.888 5.796 4.019 70 HG1 THR 32 HG1 THR 32 -14.361 6.850 3.137 71 H TYR 33 H TYR 33 -11.788 3.154 1.052 72 HA TYR 33 HA TYR 33 -11.269 1.246 3.172 73 HD1 TYR 33 HD1 TYR 33 -13.404 1.720 0.834 74 HD2 TYR 33 HD2 TYR 33 -11.308 -1.944 1.332 75 HE1 TYR 33 HE1 TYR 33 -15.534 0.504 0.762 76 HE2 TYR 33 HE2 TYR 33 -13.440 -3.179 1.254 77 HH TYR 33 HH TYR 33 -16.480 -1.591 1.433 78 H SER 34 H SER 34 -9.191 0.369 3.621 79 HA SER 34 HA SER 34 -6.839 1.861 2.844 80 HG SER 34 HG SER 34 -7.449 4.209 5.299 81 H CYS 35 H CYS 35 -4.883 0.805 3.378 82 HA CYS 35 HA CYS 35 -5.145 -2.041 3.608 83 H ASN 36 H ASN 36 -3.569 -3.225 5.115 84 HA ASN 36 HA ASN 36 -4.356 -2.713 7.776 85 H SER 37 H SER 37 -0.958 -2.993 6.775 86 HA SER 37 HA SER 37 -0.264 -0.392 7.752 87 HG SER 37 HG SER 37 0.464 -0.014 10.153 88 H GLY 38 H GLY 38 1.628 0.282 6.885 89 H TYR 39 H TYR 39 0.882 -0.763 4.577 90 HA TYR 39 HA TYR 39 1.871 -2.383 2.326 91 HD1 TYR 39 HD1 TYR 39 1.933 -3.753 4.319 92 HD2 TYR 39 HD2 TYR 39 -1.520 -4.834 2.084 93 HE1 TYR 39 HE1 TYR 39 2.465 -6.130 4.660 94 HE2 TYR 39 HE2 TYR 39 -1.000 -7.213 2.417 95 HH TYR 39 HH TYR 39 0.286 -8.598 4.099 96 H HIS 40 H HIS 40 0.103 -2.014 0.406 97 HA HIS 40 HA HIS 40 -0.403 0.835 0.088 98 HD1 HIS 40 HD1 HIS 40 1.461 0.219 -4.178 99 HD2 HIS 40 HD2 HIS 40 1.030 -2.816 -1.378 100 HE1 HIS 40 HE1 HIS 40 1.742 -1.924 -5.462 101 HE2 HIS 40 HE2 HIS 40 1.477 -3.750 -3.747 102 H LEU 41 H LEU 41 -2.461 0.960 -0.377 103 HA LEU 41 HA LEU 41 -3.900 -1.242 -1.534 104 HG LEU 41 HG LEU 41 -6.365 -0.627 -1.930 105 H ILE 42 H ILE 42 -4.131 -1.583 -3.634 106 HA ILE 42 HA ILE 42 -3.549 0.601 -5.491 107 HB ILE 42 HB ILE 42 -4.029 -2.199 -6.413 108 H GLY 43 H GLY 43 -4.851 0.765 -7.474 109 H GLU 44 H GLU 44 -9.429 0.551 -7.004 110 HA GLU 44 HA GLU 44 -9.757 3.303 -6.313 111 H SER 45 H SER 45 -11.179 3.462 -4.092 112 HA SER 45 HA SER 45 -10.219 1.981 -1.873 113 HG SER 45 HG SER 45 -8.852 3.805 0.107 114 H LYS 46 H LYS 46 -12.697 3.026 -3.080 115 HA LYS 46 HA LYS 46 -13.951 3.984 -0.677 116 H SER 47 H SER 47 -15.807 2.863 -0.628 117 HA SER 47 HA SER 47 -17.023 1.861 -3.074 118 HG SER 47 HG SER 47 -18.702 -0.523 -1.255 119 H TYR 48 H TYR 48 -18.861 2.699 -4.020 120 HA TYR 48 HA TYR 48 -20.039 4.983 -2.552 121 HD1 TYR 48 HD1 TYR 48 -17.997 6.358 -3.217 122 HD2 TYR 48 HD2 TYR 48 -18.728 4.571 -7.004 123 HE1 TYR 48 HE1 TYR 48 -15.651 6.754 -3.850 124 HE2 TYR 48 HE2 TYR 48 -16.387 4.951 -7.649 125 HH TYR 48 HH TYR 48 -14.020 5.372 -5.823 126 H CYS 49 H CYS 49 -21.925 4.680 -1.730 127 HA CYS 49 HA CYS 49 -23.543 2.412 -2.358 128 H GLU 50 H GLU 50 -24.440 2.386 -4.327 129 HA GLU 50 HA GLU 50 -26.107 4.700 -5.073 130 H LEU 51 H LEU 51 -27.541 3.786 -7.099 131 HA LEU 51 HA LEU 51 -29.346 1.950 -5.822 132 HG LEU 51 HG LEU 51 -30.544 4.131 -5.910 133 H GLY 52 H GLY 52 -29.847 -0.111 -6.396 134 H SER 53 H SER 53 -31.004 -2.836 -8.113 135 HA SER 53 HA SER 53 -30.962 -2.614 -11.011 136 HG SER 53 HG SER 53 -31.720 -4.999 -11.716 137 H THR 54 H THR 54 -31.345 -0.163 -10.051 138 HA THR 54 HA THR 54 -32.661 1.650 -10.491 139 HB THR 54 HB THR 54 -34.595 1.518 -11.740 140 HG1 THR 54 HG1 THR 54 -36.017 -0.275 -11.636 141 H GLY 55 H GLY 55 -34.475 -0.945 -8.832 142 H SER 56 H SER 56 -32.787 -0.439 -6.779 143 HA SER 56 HA SER 56 -33.206 -1.724 -4.174 144 HG SER 56 HG SER 56 -30.901 -4.061 -4.479 145 H MET 57 H MET 57 -30.713 -2.370 -3.461 146 HA MET 57 HA MET 57 -29.217 0.154 -3.666 147 H VAL 58 H VAL 58 -26.907 -0.023 -3.387 148 HA VAL 58 HA VAL 58 -25.581 -2.540 -3.531 149 HB VAL 58 HB VAL 58 -24.537 -1.989 -5.819 150 H TRP 59 H TRP 59 -23.179 -2.156 -4.149 151 HA TRP 59 HA TRP 59 -22.345 0.493 -3.171 152 HD1 TRP 59 HD1 TRP 59 -23.367 -2.486 -0.539 153 HE1 TRP 59 HE1 TRP 59 -23.976 -1.211 1.613 154 HE3 TRP 59 HE3 TRP 59 -20.367 1.605 -1.148 155 HZ2 TRP 59 HZ2 TRP 59 -23.273 1.218 2.880 156 HZ3 TRP 59 HZ3 TRP 59 -20.388 3.355 0.581 157 HH2 TRP 59 HH2 TRP 59 -21.813 3.166 2.540 158 H ASN 60 H ASN 60 -21.048 1.518 -4.523 159 HA ASN 60 HA ASN 60 -19.909 0.268 -6.831 160 HA PRO 61 HA PRO 61 -15.694 -1.017 -6.302 161 H GLU 62 H GLU 62 -16.010 -1.786 -4.216 162 HA GLU 62 HA GLU 62 -15.589 0.039 -1.985 163 H ALA 63 H ALA 63 -14.596 -3.351 -2.262 164 HA ALA 63 HA ALA 63 -12.157 -2.734 -0.835 165 HA PRO 64 HA PRO 64 -9.944 -2.793 -4.798 166 H ILE 65 H ILE 65 -7.119 -2.573 -4.646 167 HA ILE 65 HA ILE 65 -6.466 -5.215 -3.622 168 HB ILE 65 HB ILE 65 -4.511 -3.420 -4.983 169 H CYS 66 H CYS 66 -4.346 -5.486 -2.497 170 HA CYS 66 HA CYS 66 -3.251 -3.271 -1.057 171 H GLU 67 H GLU 67 -1.176 -3.696 -0.657 172 HA GLU 67 HA GLU 67 -0.305 -6.382 -0.005 173 H SER 68 H SER 68 2.258 -6.307 0.091 174 HA SER 68 HA SER 68 2.878 -4.093 1.875 175 HG SER 68 HG SER 68 5.301 -6.373 0.472 176 H VAL 69 H VAL 69 3.809 -2.326 1.136 177 HA VAL 69 HA VAL 69 4.681 -1.764 -1.366 178 HB VAL 69 HB VAL 69 6.179 -0.017 -0.312 179 H LYS 70 H LYS 70 5.928 -3.134 -2.467 180 HA LYS 70 HA LYS 70 8.244 -4.379 -1.318 181 H CYS 71 H CYS 71 10.263 -3.656 -1.312 182 HA CYS 71 HA CYS 71 10.993 -1.473 -3.147 183 H GLN 72 H GLN 72 12.232 -1.989 -4.773 184 HA GLN 72 HA GLN 72 13.348 -4.603 -5.024 185 H SER 73 H SER 73 15.791 -3.952 -6.357 186 HA SER 73 HA SER 73 17.594 -4.135 -4.277 187 HG SER 73 HG SER 73 19.654 -2.501 -6.920 188 HA PRO 74 HA PRO 74 17.832 -0.087 -2.495 189 HA PRO 75 HA PRO 75 19.243 2.950 -5.329 190 H SER 76 H SER 76 21.023 3.544 -6.630 191 HA SER 76 HA SER 76 23.273 1.664 -6.454 192 HG SER 76 HG SER 76 24.394 1.652 -8.985 193 H ILE 77 H ILE 77 24.545 2.795 -4.982 194 HA ILE 77 HA ILE 77 25.165 5.548 -5.244 195 HB ILE 77 HB ILE 77 26.910 5.157 -3.587 196 H SER 78 H SER 78 27.479 6.305 -5.450 197 HA SER 78 HA SER 78 28.568 5.170 -7.910 198 HG SER 78 HG SER 78 27.983 8.865 -7.179 199 H ASN 79 H ASN 79 30.474 4.176 -8.043 200 HA ASN 79 HA ASN 79 32.480 3.283 -7.474 201 H GLY 80 H GLY 80 29.886 2.349 -6.428 202 H ARG 81 H ARG 81 28.746 -0.559 -3.395 203 HA ARG 81 HA ARG 81 26.412 -0.675 -5.028 204 HE ARG 81 HE ARG 81 28.962 -5.951 -6.491 205 1HH1 ARG 81 1HH1 ARG 81 31.152 -3.804 -4.841 206 1HH2 ARG 81 1HH2 ARG 81 30.005 -7.631 -5.356 207 H HIS 82 H HIS 82 25.187 -2.878 -4.270 208 HA HIS 82 HA HIS 82 25.296 -2.820 -1.328 209 HD1 HIS 82 HD1 HIS 82 22.587 -0.886 -4.058 210 HD2 HIS 82 HD2 HIS 82 22.553 -5.041 -4.130 211 HE1 HIS 82 HE1 HIS 82 21.636 -1.512 -6.300 212 HE2 HIS 82 HE2 HIS 82 21.623 -4.032 -6.322 213 H ASN 83 H ASN 83 24.366 -4.828 -0.278 214 HA ASN 83 HA ASN 83 25.381 -7.183 -1.725 215 H GLY 84 H GLY 84 23.016 -6.712 0.898 216 H TYR 85 H TYR 85 19.388 -9.155 1.035 217 HA TYR 85 HA TYR 85 20.875 -11.684 0.821 218 HD1 TYR 85 HD1 TYR 85 19.231 -8.964 3.355 219 HD2 TYR 85 HD2 TYR 85 21.521 -12.514 3.859 220 HE1 TYR 85 HE1 TYR 85 20.565 -7.849 5.095 221 HE2 TYR 85 HE2 TYR 85 22.862 -11.409 5.600 222 HH TYR 85 HH TYR 85 21.960 -8.480 7.034 223 H GLU 86 H GLU 86 17.802 -10.108 0.238 224 HA GLU 86 HA GLU 86 16.929 -12.378 -1.398 225 H ASP 87 H ASP 87 15.203 -11.340 -3.100 226 HA ASP 87 HA ASP 87 16.847 -9.719 -4.880 227 H PHE 88 H PHE 88 13.838 -9.691 -3.147 228 HA PHE 88 HA PHE 88 13.544 -6.824 -3.750 229 HD1 PHE 88 HD1 PHE 88 12.705 -8.859 -6.028 230 HD2 PHE 88 HD2 PHE 88 10.130 -5.904 -4.380 231 HE1 PHE 88 HE1 PHE 88 12.248 -8.007 -8.286 232 HE2 PHE 88 HE2 PHE 88 9.667 -5.044 -6.630 233 HZ PHE 88 HZ PHE 88 10.723 -6.094 -8.596 234 H TYR 89 H TYR 89 11.989 -5.828 -1.966 235 HA TYR 89 HA TYR 89 12.633 -6.872 0.678 236 HD1 TYR 89 HD1 TYR 89 14.713 -5.160 -2.095 237 HD2 TYR 89 HD2 TYR 89 15.516 -5.941 2.010 238 HE1 TYR 89 HE1 TYR 89 16.942 -5.997 -2.696 239 HE2 TYR 89 HE2 TYR 89 17.748 -6.784 1.416 240 HH TYR 89 HH TYR 89 18.830 -7.809 -0.691 241 H THR 90 H THR 90 11.506 -5.679 2.418 242 HA THR 90 HA THR 90 9.127 -4.235 1.484 243 HB THR 90 HB THR 90 7.820 -5.575 3.238 244 HG1 THR 90 HG1 THR 90 8.721 -7.305 4.065 245 H ASP 91 H ASP 91 7.811 -3.645 3.658 246 HA ASP 91 HA ASP 91 9.321 -1.675 4.929 247 H GLY 92 H GLY 92 11.157 -2.444 5.818 248 H SER 93 H SER 93 12.782 -3.421 5.390 249 HA SER 93 HA SER 93 14.400 -5.806 5.995 250 HG SER 93 HG SER 93 12.158 -5.814 4.352 251 H VAL 94 H VAL 94 16.676 -5.763 5.519 252 HA VAL 94 HA VAL 94 17.832 -3.097 5.228 253 HB VAL 94 HB VAL 94 18.406 -4.976 7.514 254 H VAL 95 H VAL 95 19.673 -3.009 4.108 255 HA VAL 95 HA VAL 95 21.132 -5.454 3.484 256 HB VAL 95 HB VAL 95 19.861 -5.400 1.573 257 H THR 96 H THR 96 23.304 -5.191 3.186 258 HA THR 96 HA THR 96 24.338 -2.629 4.117 259 HB THR 96 HB THR 96 26.371 -4.630 3.660 260 HG1 THR 96 HG1 THR 96 25.489 -6.343 4.472 261 H TYR 97 H TYR 97 25.756 -1.364 3.036 262 HA TYR 97 HA TYR 97 25.973 -1.855 0.167 263 HD1 TYR 97 HD1 TYR 97 23.597 -0.767 1.320 264 HD2 TYR 97 HD2 TYR 97 25.862 1.811 -1.201 265 HE1 TYR 97 HE1 TYR 97 21.561 -0.201 0.078 266 HE2 TYR 97 HE2 TYR 97 23.822 2.384 -2.446 267 HH TYR 97 HH TYR 97 21.636 2.004 -2.705 268 H SER 98 H SER 98 28.034 -1.316 -0.909 269 HA SER 98 HA SER 98 30.440 -1.316 0.670 270 HG SER 98 HG SER 98 29.536 -3.773 1.601 271 H CYS 99 H CYS 99 32.164 -0.533 -0.447 272 HA CYS 99 HA CYS 99 31.687 0.692 -2.958 273 H ASN 100 H ASN 100 33.165 0.406 -4.858 274 HA ASN 100 HA ASN 100 33.377 -2.452 -5.441 275 H SER 101 H SER 101 35.221 0.110 -6.984 276 HA SER 101 HA SER 101 37.569 -1.247 -7.288 277 HG SER 101 HG SER 101 39.417 0.971 -6.597 278 H GLY 102 H GLY 102 36.344 0.192 -4.378 279 H TYR 103 H TYR 103 35.889 1.373 -2.579 280 HA TYR 103 HA TYR 103 37.491 3.641 -1.726 281 HD1 TYR 103 HD1 TYR 103 36.761 6.303 -2.448 282 HD2 TYR 103 HD2 TYR 103 35.466 3.160 -5.000 283 HE1 TYR 103 HE1 TYR 103 37.698 7.501 -4.377 284 HE2 TYR 103 HE2 TYR 103 36.399 4.345 -6.943 285 HH TYR 103 HH TYR 103 37.554 7.608 -6.726 286 H SER 104 H SER 104 35.898 5.040 -0.087 287 HA SER 104 HA SER 104 35.694 3.302 2.285 288 HG SER 104 HG SER 104 38.170 4.698 2.095 289 H LEU 105 H LEU 105 33.598 2.726 2.418 290 HA LEU 105 HA LEU 105 31.427 4.023 1.434 291 HG LEU 105 HG LEU 105 29.501 3.146 1.657 292 H ILE 106 H ILE 106 30.277 5.695 1.889 293 HA ILE 106 HA ILE 106 30.959 7.310 4.229 294 HB ILE 106 HB ILE 106 29.305 7.968 1.794 295 H GLY 107 H GLY 107 29.228 8.279 5.490 296 H ASN 108 H ASN 108 25.439 5.792 5.800 297 HA ASN 108 HA ASN 108 26.771 3.766 7.477 298 H SER 109 H SER 109 26.977 1.760 6.666 299 HA SER 109 HA SER 109 26.414 1.253 3.942 300 HG SER 109 HG SER 109 26.837 -0.869 6.955 301 H GLY 110 H GLY 110 24.788 0.482 6.942 302 H VAL 111 H VAL 111 21.270 -0.888 4.549 303 HA VAL 111 HA VAL 111 20.016 1.760 4.844 304 HB VAL 111 HB VAL 111 19.553 -0.010 2.487 305 H LEU 112 H LEU 112 17.804 1.881 5.184 306 HA LEU 112 HA LEU 112 16.569 -0.657 5.978 307 HG LEU 112 HG LEU 112 13.825 0.792 6.421 308 H CYS 113 H CYS 113 14.957 -1.529 4.882 309 HA CYS 113 HA CYS 113 13.843 -0.088 2.601 310 H SER 114 H SER 114 12.231 1.233 3.166 311 HA SER 114 HA SER 114 9.994 0.117 4.669 312 HG SER 114 HG SER 114 11.629 3.274 4.618 313 H GLY 115 H GLY 115 8.015 1.025 4.231 314 H GLY 116 H GLY 116 8.326 0.283 1.539 315 H GLU 117 H GLU 117 10.183 2.031 0.817 316 HA GLU 117 HA GLU 117 11.902 2.574 -1.485 317 H TRP 118 H TRP 118 13.988 3.632 -0.728 318 HA TRP 118 HA TRP 118 14.866 2.246 1.710 319 HD1 TRP 118 HD1 TRP 118 15.231 1.255 -2.321 320 HE1 TRP 118 HE1 TRP 118 15.267 -1.322 -2.299 321 HE3 TRP 118 HE3 TRP 118 17.204 0.525 2.329 322 HZ2 TRP 118 HZ2 TRP 118 16.072 -3.387 -0.527 323 HZ3 TRP 118 HZ3 TRP 118 17.569 -1.776 3.111 324 HH2 TRP 118 HH2 TRP 118 17.020 -3.689 1.706 325 H SER 119 H SER 119 16.300 3.264 3.155 326 HA SER 119 HA SER 119 16.604 6.164 2.877 327 HG SER 119 HG SER 119 14.193 4.687 5.697 328 H ASP 120 H ASP 120 18.337 7.059 4.004 329 HA ASP 120 HA ASP 120 20.369 7.163 5.009 330 HA PRO 121 HA PRO 121 22.059 4.203 1.737 331 HA PRO 122 HA PRO 122 25.872 6.382 2.561 332 H THR 123 H THR 123 28.150 6.302 1.473 333 HA THR 123 HA THR 123 27.930 6.503 -1.449 334 HB THR 123 HB THR 123 29.593 8.527 -0.024 335 HG1 THR 123 HG1 THR 123 27.693 9.919 -0.085 336 H CYS 124 H CYS 124 30.334 6.892 -2.303 337 HA CYS 124 HA CYS 124 32.147 5.347 -0.631 338 H GLN 125 H GLN 125 33.668 6.700 -0.255 339 HA GLN 125 HA GLN 125 35.197 7.768 -2.483 340 H ILE 126 H ILE 126 37.048 9.150 -1.406 341 HA ILE 126 HA ILE 126 38.341 7.290 0.451 342 HB ILE 126 HB ILE 126 39.634 9.395 -1.278 No H/Q in entry = 342 Start of MODEL 25 1 H ARG 7 H ARG 7 34.752 -4.645 -1.204 2 HA ARG 7 HA ARG 7 33.548 -4.804 -3.125 3 HE ARG 7 HE ARG 7 37.188 -8.415 -3.042 4 1HH1 ARG 7 1HH1 ARG 7 34.893 -9.273 -5.518 5 1HH2 ARG 7 1HH2 ARG 7 38.794 -8.872 -4.596 6 H ARG 8 H ARG 8 31.413 -4.646 -3.996 7 HA ARG 8 HA ARG 8 29.322 -3.772 -3.919 8 HE ARG 8 HE ARG 8 28.513 -9.101 -3.096 9 2HH1 ARG 8 2HH1 ARG 8 25.674 -9.944 -5.791 10 1HH2 ARG 8 1HH2 ARG 8 27.547 -11.167 -3.102 11 H CYS 9 H CYS 9 27.412 -3.297 -2.240 12 HA CYS 9 HA CYS 9 28.595 -1.506 -0.248 13 HA PRO 10 HA PRO 10 27.108 -3.860 3.162 14 H SER 11 H SER 11 25.140 -4.392 4.483 15 HA SER 11 HA SER 11 23.012 -5.088 2.885 16 HG SER 11 HG SER 11 21.204 -6.155 5.653 17 HA PRO 12 HA PRO 12 21.346 -0.905 2.273 18 H ARG 13 H ARG 13 19.584 0.161 3.144 19 HA ARG 13 HA ARG 13 18.336 -0.950 5.377 20 HE ARG 13 HE ARG 13 16.809 1.754 8.494 21 1HH1 ARG 13 1HH1 ARG 13 19.441 3.915 7.767 22 1HH2 ARG 13 1HH2 ARG 13 16.846 2.663 10.582 23 H ASP 14 H ASP 14 15.827 -0.895 5.578 24 HA ASP 14 HA ASP 14 14.650 -2.197 3.228 25 H ILE 15 H ILE 15 12.169 -2.723 4.114 26 HA ILE 15 HA ILE 15 11.078 -0.284 5.293 27 HB ILE 15 HB ILE 15 11.086 0.162 2.886 28 H ASP 16 H ASP 16 9.084 -0.570 6.285 29 HA ASP 16 HA ASP 16 8.458 -3.296 6.966 30 H ASN 17 H ASN 17 6.503 -0.596 5.687 31 HA ASN 17 HA ASN 17 4.546 -2.525 4.707 32 H GLY 18 H GLY 18 7.049 -2.539 3.415 33 H GLN 19 H GLN 19 8.216 -2.435 -0.813 34 HA GLN 19 HA GLN 19 9.842 -4.641 0.229 35 H LEU 20 H LEU 20 11.901 -4.737 -0.612 36 HA LEU 20 HA LEU 20 12.752 -2.405 -2.091 37 HG LEU 20 HG LEU 20 13.415 -4.129 0.825 38 H ASP 21 H ASP 21 14.070 -2.481 -3.963 39 HA ASP 21 HA ASP 21 13.790 -4.922 -5.582 40 H ILE 22 H ILE 22 15.911 -5.253 -4.502 41 HA ILE 22 HA ILE 22 18.106 -3.559 -5.197 42 HB ILE 22 HB ILE 22 18.226 -6.358 -4.097 43 H GLY 23 H GLY 23 18.681 -3.425 -7.260 44 H GLY 24 H GLY 24 20.666 -3.321 -7.324 45 H VAL 25 H VAL 25 24.194 -4.575 -6.365 46 HA VAL 25 HA VAL 25 24.014 -2.353 -4.433 47 HB VAL 25 HB VAL 25 24.657 -3.985 -2.697 48 H ASP 26 H ASP 26 25.821 -1.873 -6.375 49 HA ASP 26 HA ASP 26 28.404 -2.590 -5.152 50 H PHE 27 H PHE 27 30.091 -0.898 -5.322 51 HA PHE 27 HA PHE 27 29.361 1.394 -3.958 52 HD1 PHE 27 HD1 PHE 27 29.916 3.393 -3.831 53 HD2 PHE 27 HD2 PHE 27 33.854 2.209 -4.951 54 HE1 PHE 27 HE1 PHE 27 30.755 5.630 -3.247 55 HE2 PHE 27 HE2 PHE 27 34.692 4.447 -4.370 56 HZ PHE 27 HZ PHE 27 33.144 6.160 -3.518 57 H GLY 28 H GLY 28 27.683 2.528 -4.830 58 H SER 29 H SER 29 25.931 1.957 -5.833 59 HA SER 29 HA SER 29 24.652 1.736 -8.470 60 HG SER 29 HG SER 29 26.149 -0.138 -8.253 61 H SER 30 H SER 30 22.186 0.601 -7.443 62 HA SER 30 HA SER 30 21.045 2.452 -5.615 63 HG SER 30 HG SER 30 21.471 2.968 -9.171 64 H ILE 31 H ILE 31 19.144 1.793 -4.795 65 HA ILE 31 HA ILE 31 18.025 -0.715 -5.862 66 HB ILE 31 HB ILE 31 17.110 0.234 -3.216 67 H THR 32 H THR 32 15.587 -0.936 -5.388 68 HA THR 32 HA THR 32 14.247 1.647 -5.796 69 HB THR 32 HB THR 32 12.846 -0.533 -7.094 70 HG1 THR 32 HG1 THR 32 14.320 -0.991 -8.661 71 H TYR 33 H TYR 33 13.044 2.026 -4.086 72 HA TYR 33 HA TYR 33 11.977 -0.149 -2.492 73 HD1 TYR 33 HD1 TYR 33 14.622 1.852 -2.033 74 HD2 TYR 33 HD2 TYR 33 11.551 1.031 0.794 75 HE1 TYR 33 HE1 TYR 33 16.325 1.231 -0.370 76 HE2 TYR 33 HE2 TYR 33 13.247 0.411 2.466 77 HH TYR 33 HH TYR 33 16.624 0.108 1.634 78 H SER 34 H SER 34 9.787 -0.501 -2.033 79 HA SER 34 HA SER 34 7.767 0.978 -3.497 80 HG SER 34 HG SER 34 8.547 -2.818 -4.040 81 H CYS 35 H CYS 35 5.533 0.153 -2.947 82 HA CYS 35 HA CYS 35 5.448 -0.399 -0.104 83 H ASN 36 H ASN 36 3.710 -1.954 0.680 84 HA ASN 36 HA ASN 36 4.369 -4.552 -0.219 85 H SER 37 H SER 37 1.006 -3.541 0.121 86 HA SER 37 HA SER 37 0.432 -3.943 -2.675 87 HG SER 37 HG SER 37 0.252 -7.298 -2.414 88 H GLY 38 H GLY 38 -1.346 -2.823 -3.290 89 H TYR 39 H TYR 39 -0.481 -0.710 -1.994 90 HA TYR 39 HA TYR 39 -1.321 1.332 -0.035 91 HD1 TYR 39 HD1 TYR 39 -1.587 -1.060 1.043 92 HD2 TYR 39 HD2 TYR 39 1.770 1.009 2.637 93 HE1 TYR 39 HE1 TYR 39 -2.296 -1.670 3.319 94 HE2 TYR 39 HE2 TYR 39 1.074 0.408 4.913 95 HH TYR 39 HH TYR 39 -2.005 -1.025 5.573 96 H HIS 40 H HIS 40 0.385 3.180 0.018 97 HA HIS 40 HA HIS 40 1.377 3.739 -2.673 98 HD1 HIS 40 HD1 HIS 40 -2.358 6.424 -2.265 99 HD2 HIS 40 HD2 HIS 40 -0.354 4.696 0.934 100 HE1 HIS 40 HE1 HIS 40 -3.991 6.444 -0.356 101 HE2 HIS 40 HE2 HIS 40 -2.756 5.393 1.570 102 H LEU 41 H LEU 41 3.379 4.522 -2.741 103 HA LEU 41 HA LEU 41 4.753 4.847 -0.179 104 HG LEU 41 HG LEU 41 7.312 4.974 -0.497 105 H ILE 42 H ILE 42 5.198 6.811 0.546 106 HA ILE 42 HA ILE 42 5.069 9.061 -1.324 107 HB ILE 42 HB ILE 42 5.351 9.535 1.596 108 H GLY 43 H GLY 43 6.655 10.660 -1.393 109 H GLU 44 H GLU 44 11.022 9.475 -0.776 110 HA GLU 44 HA GLU 44 11.408 9.246 -3.637 111 H SER 45 H SER 45 12.705 6.996 -4.087 112 HA SER 45 HA SER 45 11.398 4.697 -2.939 113 HG SER 45 HG SER 45 10.231 6.694 -5.837 114 H LYS 46 H LYS 46 14.154 5.859 -3.546 115 HA LYS 46 HA LYS 46 15.293 3.365 -4.499 116 H SER 47 H SER 47 17.036 2.894 -3.364 117 HA SER 47 HA SER 47 18.381 4.947 -1.766 118 HG SER 47 HG SER 47 19.866 2.671 0.202 119 H TYR 48 H TYR 48 20.581 5.510 -2.070 120 HA TYR 48 HA TYR 48 21.830 4.166 -4.409 121 HD1 TYR 48 HD1 TYR 48 20.111 5.346 -5.986 122 HD2 TYR 48 HD2 TYR 48 21.086 8.663 -3.528 123 HE1 TYR 48 HE1 TYR 48 17.943 6.391 -6.541 124 HE2 TYR 48 HE2 TYR 48 18.928 9.715 -4.046 125 HH TYR 48 HH TYR 48 16.605 8.871 -4.816 126 H CYS 49 H CYS 49 23.513 2.962 -3.735 127 HA CYS 49 HA CYS 49 24.791 3.686 -1.298 128 H GLU 50 H GLU 50 26.311 5.043 -1.064 129 HA GLU 50 HA GLU 50 28.304 5.375 -3.196 130 H LEU 51 H LEU 51 29.927 7.225 -2.071 131 HA LEU 51 HA LEU 51 31.115 5.697 0.085 132 HG LEU 51 HG LEU 51 31.329 9.096 -1.216 133 H GLY 52 H GLY 52 30.948 6.156 2.176 134 H SER 53 H SER 53 32.405 6.805 4.151 135 HA SER 53 HA SER 53 33.404 9.230 5.407 136 HG SER 53 HG SER 53 34.773 8.850 7.029 137 H THR 54 H THR 54 33.378 9.604 2.732 138 HA THR 54 HA THR 54 34.660 10.242 0.963 139 HB THR 54 HB THR 54 36.737 11.228 1.425 140 HG1 THR 54 HG1 THR 54 38.201 10.336 2.651 141 H GLY 55 H GLY 55 34.300 7.384 1.578 142 H SER 56 H SER 56 34.535 5.866 2.818 143 HA SER 56 HA SER 56 34.323 3.057 2.929 144 HG SER 56 HG SER 56 34.283 2.759 5.117 145 H MET 57 H MET 57 31.645 2.599 3.639 146 HA MET 57 HA MET 57 30.274 2.992 1.070 147 H VAL 58 H VAL 58 28.114 3.422 1.103 148 HA VAL 58 HA VAL 58 26.602 3.481 3.551 149 HB VAL 58 HB VAL 58 26.012 5.965 3.118 150 H TRP 59 H TRP 59 24.344 4.454 3.045 151 HA TRP 59 HA TRP 59 23.666 3.949 0.230 152 HD1 TRP 59 HD1 TRP 59 24.265 0.828 2.695 153 HE1 TRP 59 HE1 TRP 59 24.697 -1.170 1.134 154 HE3 TRP 59 HE3 TRP 59 21.425 2.285 -1.302 155 HZ2 TRP 59 HZ2 TRP 59 23.943 -2.010 -1.454 156 HZ3 TRP 59 HZ3 TRP 59 21.355 0.819 -3.281 157 HH2 TRP 59 HH2 TRP 59 22.580 -1.266 -3.347 158 H ASN 60 H ASN 60 22.674 5.600 -0.661 159 HA ASN 60 HA ASN 60 21.715 7.840 0.802 160 HA PRO 61 HA PRO 61 17.390 7.810 1.664 161 H GLU 62 H GLU 62 17.267 5.610 2.064 162 HA GLU 62 HA GLU 62 16.637 3.832 -0.154 163 H ALA 63 H ALA 63 15.358 3.787 3.148 164 HA ALA 63 HA ALA 63 12.804 2.911 2.176 165 HA PRO 64 HA PRO 64 11.196 7.148 2.295 166 H ILE 65 H ILE 65 8.379 7.369 1.822 167 HA ILE 65 HA ILE 65 7.383 6.146 4.284 168 HB ILE 65 HB ILE 65 5.692 8.014 2.728 169 H CYS 66 H CYS 66 5.223 5.232 4.295 170 HA CYS 66 HA CYS 66 4.039 4.416 1.800 171 H GLU 67 H GLU 67 1.929 3.946 2.017 172 HA GLU 67 HA GLU 67 0.828 3.282 4.618 173 H SER 68 H SER 68 -1.701 3.207 4.329 174 HA SER 68 HA SER 68 -2.174 1.704 1.853 175 HG SER 68 HG SER 68 -4.208 2.395 4.772 176 H VAL 69 H VAL 69 -3.876 2.160 0.538 177 HA VAL 69 HA VAL 69 -4.854 4.821 0.527 178 HB VAL 69 HB VAL 69 -6.373 3.937 -1.312 179 H LYS 70 H LYS 70 -5.612 4.529 2.837 180 HA LYS 70 HA LYS 70 -7.712 3.033 3.702 181 H CYS 71 H CYS 71 -9.633 2.693 2.822 182 HA CYS 71 HA CYS 71 -11.037 4.896 1.485 183 H GLN 72 H GLN 72 -12.622 5.915 2.505 184 HA GLN 72 HA GLN 72 -13.346 5.058 5.142 185 H SER 73 H SER 73 -15.988 5.848 5.356 186 HA SER 73 HA SER 73 -17.416 3.599 4.973 187 HG SER 73 HG SER 73 -19.725 5.742 3.687 188 HA PRO 74 HA PRO 74 -17.769 2.919 0.605 189 HA PRO 75 HA PRO 75 -20.286 5.909 -1.400 190 H SER 76 H SER 76 -22.342 6.828 -1.361 191 HA SER 76 HA SER 76 -24.184 5.571 0.553 192 HG SER 76 HG SER 76 -24.139 9.539 -0.205 193 H ILE 77 H ILE 77 -25.344 4.286 -0.874 194 HA ILE 77 HA ILE 77 -26.463 5.244 -3.302 195 HB ILE 77 HB ILE 77 -27.784 3.203 -3.329 196 H SER 78 H SER 78 -28.965 4.935 -3.593 197 HA SER 78 HA SER 78 -30.217 6.768 -1.696 198 HG SER 78 HG SER 78 -31.448 8.408 -3.220 199 H ASN 79 H ASN 79 -32.193 6.320 -0.686 200 HA ASN 79 HA ASN 79 -33.581 5.001 0.555 201 H GLY 80 H GLY 80 -30.723 4.293 0.595 202 H ARG 81 H ARG 81 -28.389 0.946 1.998 203 HA ARG 81 HA ARG 81 -26.640 3.044 2.737 204 HE ARG 81 HE ARG 81 -30.774 0.715 6.234 205 1HH1 ARG 81 1HH1 ARG 81 -29.370 2.638 8.774 206 1HH2 ARG 81 1HH2 ARG 81 -32.246 -0.016 7.817 207 H HIS 82 H HIS 82 -24.929 1.965 4.395 208 HA HIS 82 HA HIS 82 -24.289 -0.694 3.302 209 HD1 HIS 82 HD1 HIS 82 -22.183 1.727 5.932 210 HD2 HIS 82 HD2 HIS 82 -22.361 3.405 2.136 211 HE1 HIS 82 HE1 HIS 82 -21.732 4.180 6.259 212 HE2 HIS 82 HE2 HIS 82 -21.845 5.176 3.947 213 H ASN 83 H ASN 83 -22.694 -1.898 4.691 214 HA ASN 83 HA ASN 83 -23.246 -1.373 7.536 215 H GLY 84 H GLY 84 -21.435 -3.424 8.452 216 H TYR 85 H TYR 85 -17.216 -3.449 9.434 217 HA TYR 85 HA TYR 85 -18.397 -3.373 12.126 218 HD1 TYR 85 HD1 TYR 85 -18.968 -6.428 12.411 219 HD2 TYR 85 HD2 TYR 85 -16.172 -5.695 9.289 220 HE1 TYR 85 HE1 TYR 85 -19.988 -8.228 11.082 221 HE2 TYR 85 HE2 TYR 85 -17.185 -7.493 7.952 222 HH TYR 85 HH TYR 85 -20.156 -9.029 8.888 223 H GLU 86 H GLU 86 -15.796 -2.276 10.101 224 HA GLU 86 HA GLU 86 -14.571 -0.838 12.329 225 H ASP 87 H ASP 87 -13.483 1.320 11.225 226 HA ASP 87 HA ASP 87 -15.807 2.907 10.387 227 H PHE 88 H PHE 88 -12.635 1.884 9.491 228 HA PHE 88 HA PHE 88 -12.886 3.390 6.976 229 HD1 PHE 88 HD1 PHE 88 -11.621 5.073 9.866 230 HD2 PHE 88 HD2 PHE 88 -10.354 5.074 5.805 231 HE1 PHE 88 HE1 PHE 88 -11.701 7.530 9.845 232 HE2 PHE 88 HE2 PHE 88 -10.429 7.525 5.777 233 HZ PHE 88 HZ PHE 88 -11.105 8.764 7.797 234 H TYR 89 H TYR 89 -11.112 2.344 5.381 235 HA TYR 89 HA TYR 89 -11.008 -0.541 5.610 236 HD1 TYR 89 HD1 TYR 89 -14.092 1.841 4.997 237 HD2 TYR 89 HD2 TYR 89 -13.534 -2.376 4.803 238 HE1 TYR 89 HE1 TYR 89 -16.180 1.512 6.247 239 HE2 TYR 89 HE2 TYR 89 -15.624 -2.713 6.053 240 HH TYR 89 HH TYR 89 -17.070 -0.547 7.842 241 H THR 90 H THR 90 -9.883 -1.501 3.643 242 HA THR 90 HA THR 90 -8.101 0.411 2.324 243 HB THR 90 HB THR 90 -6.169 -1.154 2.834 244 HG1 THR 90 HG1 THR 90 -6.442 -2.738 4.219 245 H ASP 91 H ASP 91 -6.481 -1.119 0.917 246 HA ASP 91 HA ASP 91 -8.082 -2.148 -1.136 247 H GLY 92 H GLY 92 -9.429 -3.710 -0.562 248 H SER 93 H SER 93 -10.809 -3.949 0.765 249 HA SER 93 HA SER 93 -11.927 -5.648 2.885 250 HG SER 93 HG SER 93 -10.175 -3.425 3.252 251 H VAL 94 H VAL 94 -14.232 -5.815 3.128 252 HA VAL 94 HA VAL 94 -15.757 -5.206 0.695 253 HB VAL 94 HB VAL 94 -15.717 -7.866 2.124 254 H VAL 95 H VAL 95 -17.962 -4.869 0.986 255 HA VAL 95 HA VAL 95 -19.034 -4.904 3.700 256 HB VAL 95 HB VAL 95 -19.185 -2.403 2.025 257 H THR 96 H THR 96 -21.286 -4.974 3.786 258 HA THR 96 HA THR 96 -22.563 -5.570 1.207 259 HB THR 96 HB THR 96 -24.207 -6.415 3.363 260 HG1 THR 96 HG1 THR 96 -21.581 -7.435 3.609 261 H TYR 97 H TYR 97 -24.090 -4.281 0.467 262 HA TYR 97 HA TYR 97 -24.950 -2.032 2.069 263 HD1 TYR 97 HD1 TYR 97 -22.630 -2.197 0.508 264 HD2 TYR 97 HD2 TYR 97 -25.610 0.482 -0.920 265 HE1 TYR 97 HE1 TYR 97 -20.931 -0.447 0.272 266 HE2 TYR 97 HE2 TYR 97 -23.911 2.241 -1.171 267 HH TYR 97 HH TYR 97 -21.175 2.115 -1.536 268 H SER 98 H SER 98 -27.188 -1.429 2.300 269 HA SER 98 HA SER 98 -29.176 -3.521 1.928 270 HG SER 98 HG SER 98 -28.563 -4.983 4.793 271 H CYS 99 H CYS 99 -31.286 -2.777 1.881 272 HA CYS 99 HA CYS 99 -31.600 0.004 1.308 273 H ASN 100 H ASN 100 -33.105 1.448 2.354 274 HA ASN 100 HA ASN 100 -32.954 1.221 5.229 275 H SER 101 H SER 101 -35.703 2.439 3.331 276 HA SER 101 HA SER 101 -37.618 1.714 5.229 277 HG SER 101 HG SER 101 -38.455 3.706 4.711 278 H GLY 102 H GLY 102 -36.085 -0.161 2.772 279 H TYR 103 H TYR 103 -35.827 -0.835 0.980 280 HA TYR 103 HA TYR 103 -37.380 -1.667 -1.237 281 HD1 TYR 103 HD1 TYR 103 -36.054 1.480 0.323 282 HD2 TYR 103 HD2 TYR 103 -37.057 0.349 -3.654 283 HE1 TYR 103 HE1 TYR 103 -37.424 3.509 0.099 284 HE2 TYR 103 HE2 TYR 103 -38.432 2.374 -3.889 285 HH TYR 103 HH TYR 103 -39.615 3.974 -2.449 286 H SER 104 H SER 104 -35.825 -2.459 -3.203 287 HA SER 104 HA SER 104 -34.762 -5.048 -2.294 288 HG SER 104 HG SER 104 -37.594 -5.411 -4.554 289 H LEU 105 H LEU 105 -32.621 -4.716 -1.994 290 HA LEU 105 HA LEU 105 -30.956 -2.942 -3.192 291 HG LEU 105 HG LEU 105 -28.847 -2.986 -2.723 292 H ILE 106 H ILE 106 -30.146 -2.618 -5.084 293 HA ILE 106 HA ILE 106 -30.581 -4.595 -7.190 294 HB ILE 106 HB ILE 106 -29.828 -1.675 -7.298 295 H GLY 107 H GLY 107 -28.873 -5.129 -8.675 296 H ASN 108 H ASN 108 -24.774 -5.012 -6.800 297 HA ASN 108 HA ASN 108 -25.370 -7.458 -5.275 298 H SER 109 H SER 109 -25.254 -7.294 -3.116 299 HA SER 109 HA SER 109 -25.080 -4.741 -1.903 300 HG SER 109 HG SER 109 -26.064 -8.314 -1.040 301 H GLY 110 H GLY 110 -22.813 -7.332 -2.407 302 H VAL 111 H VAL 111 -19.290 -4.979 -0.687 303 HA VAL 111 HA VAL 111 -18.763 -3.750 -3.309 304 HB VAL 111 HB VAL 111 -18.603 -2.125 -0.817 305 H LEU 112 H LEU 112 -16.699 -3.959 -3.876 306 HA LEU 112 HA LEU 112 -14.766 -4.841 -1.924 307 HG LEU 112 HG LEU 112 -12.346 -4.022 -3.787 308 H CYS 113 H CYS 113 -13.610 -3.527 -0.734 309 HA CYS 113 HA CYS 113 -13.233 -0.748 -1.453 310 H SER 114 H SER 114 -11.782 -0.453 -3.035 311 HA SER 114 HA SER 114 -9.075 -1.438 -2.622 312 HG SER 114 HG SER 114 -11.090 -1.211 -5.612 313 H GLY 115 H GLY 115 -7.518 -0.445 -4.124 314 H GLY 116 H GLY 116 -8.197 1.769 -2.393 315 H GLU 117 H GLU 117 -10.512 2.438 -3.322 316 HA GLU 117 HA GLU 117 -12.690 4.314 -2.806 317 H TRP 118 H TRP 118 -14.734 3.276 -4.061 318 HA TRP 118 HA TRP 118 -14.780 0.450 -3.250 319 HD1 TRP 118 HD1 TRP 118 -15.596 3.892 -1.204 320 HE1 TRP 118 HE1 TRP 118 -15.049 3.336 1.247 321 HE3 TRP 118 HE3 TRP 118 -16.660 -1.112 -1.240 322 HZ2 TRP 118 HZ2 TRP 118 -15.068 1.086 2.933 323 HZ3 TRP 118 HZ3 TRP 118 -16.366 -2.392 0.843 324 HH2 TRP 118 HH2 TRP 118 -15.584 -1.309 2.888 325 H SER 119 H SER 119 -15.843 -1.031 -4.538 326 HA SER 119 HA SER 119 -16.791 -0.047 -7.142 327 HG SER 119 HG SER 119 -14.542 -2.191 -5.581 328 H ASP 120 H ASP 120 -18.420 -1.215 -8.128 329 HA ASP 120 HA ASP 120 -20.190 -2.616 -8.350 330 HA PRO 121 HA PRO 121 -22.004 -0.712 -4.408 331 HA PRO 122 HA PRO 122 -25.840 -1.857 -6.397 332 H THR 123 H THR 123 -28.264 -1.523 -5.726 333 HA THR 123 HA THR 123 -28.714 1.298 -5.029 334 HB THR 123 HB THR 123 -30.648 0.254 -6.953 335 HG1 THR 123 HG1 THR 123 -27.967 0.606 -7.809 336 H CYS 124 H CYS 124 -31.517 1.203 -5.296 337 HA CYS 124 HA CYS 124 -32.484 -1.047 -3.788 338 H GLN 125 H GLN 125 -33.901 -1.329 -5.469 339 HA GLN 125 HA GLN 125 -35.964 0.744 -5.770 340 H ILE 126 H ILE 126 -38.104 -0.052 -6.300 341 HA ILE 126 HA ILE 126 -38.763 -2.374 -4.683 342 HB ILE 126 HB ILE 126 -40.573 -0.394 -6.067 No H/Q in entry = 342 Start of MODEL 26 1 H ARG 7 H ARG 7 34.942 -4.971 1.352 2 HA ARG 7 HA ARG 7 32.836 -5.511 3.092 3 HE ARG 7 HE ARG 7 34.712 -1.975 6.133 4 1HH1 ARG 7 1HH1 ARG 7 37.865 -2.698 4.843 5 1HH2 ARG 7 1HH2 ARG 7 35.751 -0.326 7.318 6 H ARG 8 H ARG 8 30.694 -5.148 3.074 7 HA ARG 8 HA ARG 8 29.472 -4.378 0.561 8 HE ARG 8 HE ARG 8 26.958 -6.976 4.494 9 1HH1 ARG 8 1HH1 ARG 8 29.797 -8.800 3.634 10 1HH2 ARG 8 1HH2 ARG 8 27.695 -7.146 6.646 11 H CYS 9 H CYS 9 27.119 -3.249 1.312 12 HA CYS 9 HA CYS 9 27.965 -0.570 2.087 13 HA PRO 10 HA PRO 10 26.152 -0.666 6.097 14 H SER 11 H SER 11 24.096 -0.437 7.338 15 HA SER 11 HA SER 11 22.027 -1.802 6.162 16 HG SER 11 HG SER 11 20.382 0.339 8.875 17 HA PRO 12 HA PRO 12 20.566 1.348 3.268 18 H ARG 13 H ARG 13 18.770 2.777 3.177 19 HA ARG 13 HA ARG 13 17.742 3.657 5.622 20 HE ARG 13 HE ARG 13 18.371 8.081 3.416 21 1HH1 ARG 13 1HH1 ARG 13 14.997 8.687 4.026 22 1HH2 ARG 13 1HH2 ARG 13 18.562 10.337 3.137 23 H ASP 14 H ASP 14 15.207 3.873 5.851 24 HA ASP 14 HA ASP 14 14.107 1.171 5.480 25 H ILE 15 H ILE 15 11.628 1.349 6.239 26 HA ILE 15 HA ILE 15 10.390 3.662 4.932 27 HB ILE 15 HB ILE 15 10.552 2.005 3.183 28 H ASP 16 H ASP 16 8.208 4.045 5.546 29 HA ASP 16 HA ASP 16 7.634 3.068 8.217 30 H ASN 17 H ASN 17 5.569 3.623 5.350 31 HA ASN 17 HA ASN 17 3.739 1.579 6.335 32 H GLY 18 H GLY 18 6.393 0.913 5.191 33 H GLN 19 H GLN 19 7.915 -2.023 2.495 34 HA GLN 19 HA GLN 19 9.437 -2.684 4.816 35 H LEU 20 H LEU 20 11.519 -3.112 4.291 36 HA LEU 20 HA LEU 20 12.309 -2.803 1.586 37 HG LEU 20 HG LEU 20 14.233 -1.216 2.067 38 H ASP 21 H ASP 21 13.437 -4.228 0.259 39 HA ASP 21 HA ASP 21 13.169 -7.087 0.910 40 H ILE 22 H ILE 22 15.362 -6.498 1.754 41 HA ILE 22 HA ILE 22 17.417 -5.869 -0.138 42 HB ILE 22 HB ILE 22 18.093 -6.958 2.551 43 H GLY 23 H GLY 23 17.796 -7.381 -1.641 44 H GLY 24 H GLY 24 20.073 -7.683 -0.510 45 H VAL 25 H VAL 25 24.108 -7.460 0.093 46 HA VAL 25 HA VAL 25 23.455 -4.590 0.028 47 HB VAL 25 HB VAL 25 24.601 -4.449 2.288 48 H ASP 26 H ASP 26 25.678 -6.879 -0.913 49 HA ASP 26 HA ASP 26 28.111 -5.520 -0.355 50 H PHE 27 H PHE 27 29.507 -4.464 -1.902 51 HA PHE 27 HA PHE 27 28.369 -2.316 -3.168 52 HD1 PHE 27 HD1 PHE 27 29.498 -0.777 -5.157 53 HD2 PHE 27 HD2 PHE 27 31.814 -1.561 -1.674 54 HE1 PHE 27 HE1 PHE 27 29.873 1.638 -4.868 55 HE2 PHE 27 HE2 PHE 27 32.194 0.851 -1.378 56 HZ PHE 27 HZ PHE 27 31.222 2.452 -2.973 57 H GLY 28 H GLY 28 27.018 -2.181 -4.798 58 H SER 29 H SER 29 25.653 -4.066 -4.397 59 HA SER 29 HA SER 29 23.720 -5.833 -5.477 60 HG SER 29 HG SER 29 23.942 -7.244 -3.967 61 H SER 30 H SER 30 21.323 -5.363 -4.405 62 HA SER 30 HA SER 30 20.429 -2.667 -4.846 63 HG SER 30 HG SER 30 19.514 -5.456 -7.554 64 H ILE 31 H ILE 31 18.491 -2.271 -3.866 65 HA ILE 31 HA ILE 31 17.207 -4.581 -2.564 66 HB ILE 31 HB ILE 31 16.459 -1.899 -1.605 67 H THR 32 H THR 32 14.832 -4.257 -2.116 68 HA THR 32 HA THR 32 13.509 -2.750 -4.256 69 HB THR 32 HB THR 32 12.339 -5.378 -3.486 70 HG1 THR 32 HG1 THR 32 13.772 -6.538 -4.544 71 H TYR 33 H TYR 33 12.362 -1.264 -3.270 72 HA TYR 33 HA TYR 33 11.338 -1.676 -0.600 73 HD1 TYR 33 HD1 TYR 33 13.948 0.368 -1.975 74 HD2 TYR 33 HD2 TYR 33 11.053 1.052 1.067 75 HE1 TYR 33 HE1 TYR 33 15.741 1.034 -0.423 76 HE2 TYR 33 HE2 TYR 33 12.832 1.718 2.626 77 HH TYR 33 HH TYR 33 16.153 2.102 1.567 78 H SER 34 H SER 34 9.336 -2.145 -0.014 79 HA SER 34 HA SER 34 7.189 -2.027 -2.005 80 HG SER 34 HG SER 34 7.747 -3.903 -3.094 81 H CYS 35 H CYS 35 5.026 -2.117 -1.021 82 HA CYS 35 HA CYS 35 4.996 -0.592 1.432 83 H ASN 36 H ASN 36 3.012 -1.212 2.943 84 HA ASN 36 HA ASN 36 3.656 -3.866 3.920 85 H SER 37 H SER 37 0.470 -2.361 4.012 86 HA SER 37 HA SER 37 -0.660 -4.292 2.192 87 HG SER 37 HG SER 37 -1.161 -6.746 4.333 88 H GLY 38 H GLY 38 -2.291 -3.394 1.121 89 H TYR 39 H TYR 39 -1.173 -1.344 0.428 90 HA TYR 39 HA TYR 39 -1.475 1.577 0.200 91 HD1 TYR 39 HD1 TYR 39 -0.870 -0.017 3.396 92 HD2 TYR 39 HD2 TYR 39 0.721 3.588 1.799 93 HE1 TYR 39 HE1 TYR 39 -1.454 1.155 5.477 94 HE2 TYR 39 HE2 TYR 39 0.157 4.765 3.874 95 HH TYR 39 HH TYR 39 -0.277 4.249 6.234 96 H HIS 40 H HIS 40 -0.047 2.552 -1.362 97 HA HIS 40 HA HIS 40 0.944 0.678 -3.395 98 HD1 HIS 40 HD1 HIS 40 -1.855 0.509 -4.929 99 HD2 HIS 40 HD2 HIS 40 -2.097 4.215 -3.067 100 HE1 HIS 40 HE1 HIS 40 -4.304 0.882 -4.496 101 HE2 HIS 40 HE2 HIS 40 -4.429 3.134 -3.374 102 H LEU 41 H LEU 41 3.081 0.945 -3.955 103 HA LEU 41 HA LEU 41 4.586 2.739 -2.260 104 HG LEU 41 HG LEU 41 7.020 2.709 -2.748 105 H ILE 42 H ILE 42 4.651 4.779 -2.840 106 HA ILE 42 HA ILE 42 4.598 5.480 -5.663 107 HB ILE 42 HB ILE 42 4.729 7.629 -3.623 108 H GLY 43 H GLY 43 6.133 6.717 -6.680 109 H GLU 44 H GLU 44 10.664 6.738 -5.751 110 HA GLU 44 HA GLU 44 11.351 4.670 -7.469 111 H SER 45 H SER 45 12.189 2.451 -6.619 112 HA SER 45 HA SER 45 10.536 1.269 -4.554 113 HG SER 45 HG SER 45 9.813 1.213 -8.300 114 H LYS 46 H LYS 46 13.426 1.696 -5.245 115 HA LYS 46 HA LYS 46 14.328 -0.951 -4.522 116 H SER 47 H SER 47 16.997 -0.729 -4.865 117 HA SER 47 HA SER 47 18.030 1.828 -4.154 118 HG SER 47 HG SER 47 16.539 2.125 -2.404 119 H TYR 48 H TYR 48 19.600 1.577 -5.657 120 HA TYR 48 HA TYR 48 21.147 -0.861 -5.774 121 HD1 TYR 48 HD1 TYR 48 19.152 -0.829 -6.843 122 HD2 TYR 48 HD2 TYR 48 20.770 2.069 -9.505 123 HE1 TYR 48 HE1 TYR 48 17.075 -0.885 -8.161 124 HE2 TYR 48 HE2 TYR 48 18.696 2.024 -10.824 125 HH TYR 48 HH TYR 48 15.856 0.771 -9.744 126 H CYS 49 H CYS 49 22.841 -1.234 -4.565 127 HA CYS 49 HA CYS 49 24.046 0.752 -2.918 128 H GLU 50 H GLU 50 25.413 2.246 -3.623 129 HA GLU 50 HA GLU 50 27.526 1.465 -5.475 130 H LEU 51 H LEU 51 29.022 3.378 -5.840 131 HA LEU 51 HA LEU 51 30.214 4.049 -3.405 132 HG LEU 51 HG LEU 51 32.004 3.107 -4.616 133 H GLY 52 H GLY 52 30.518 6.071 -2.390 134 H SER 53 H SER 53 30.853 9.232 -1.185 135 HA SER 53 HA SER 53 31.175 10.889 -3.598 136 HG SER 53 HG SER 53 30.413 13.814 -2.319 137 H THR 54 H THR 54 32.670 10.435 -0.386 138 HA THR 54 HA THR 54 35.302 10.816 -1.566 139 HB THR 54 HB THR 54 36.114 11.097 0.616 140 HG1 THR 54 HG1 THR 54 35.451 9.376 1.735 141 H GLY 55 H GLY 55 34.357 8.603 -2.666 142 H SER 56 H SER 56 32.822 6.949 -1.108 143 HA SER 56 HA SER 56 33.235 4.808 0.866 144 HG SER 56 HG SER 56 31.468 6.320 3.288 145 H MET 57 H MET 57 30.684 4.197 1.548 146 HA MET 57 HA MET 57 29.550 3.140 -0.957 147 H VAL 58 H VAL 58 27.427 3.419 -1.341 148 HA VAL 58 HA VAL 58 25.662 4.345 0.780 149 HB VAL 58 HB VAL 58 24.820 6.216 -0.643 150 H TRP 59 H TRP 59 23.415 4.904 -0.484 151 HA TRP 59 HA TRP 59 22.921 2.658 -2.319 152 HD1 TRP 59 HD1 TRP 59 23.168 2.450 1.701 153 HE1 TRP 59 HE1 TRP 59 23.716 -0.004 2.246 154 HE3 TRP 59 HE3 TRP 59 20.781 0.202 -2.216 155 HZ2 TRP 59 HZ2 TRP 59 23.211 -2.561 1.140 156 HZ3 TRP 59 HZ3 TRP 59 20.856 -2.248 -2.400 157 HH2 TRP 59 HH2 TRP 59 22.045 -3.591 -0.764 158 H ASN 60 H ASN 60 21.658 3.082 -4.066 159 HA ASN 60 HA ASN 60 20.038 5.485 -4.155 160 HA PRO 61 HA PRO 61 18.292 6.189 -4.987 161 H GLU 62 H GLU 62 16.378 6.261 -3.094 162 HA GLU 62 HA GLU 62 17.443 4.532 -0.988 163 H ALA 63 H ALA 63 15.393 5.327 0.869 164 HA ALA 63 HA ALA 63 13.396 3.389 0.226 165 HA PRO 64 HA PRO 64 10.921 6.507 -1.896 166 H ILE 65 H ILE 65 8.074 5.943 -1.946 167 HA ILE 65 HA ILE 65 7.337 6.176 0.886 168 HB ILE 65 HB ILE 65 5.658 7.976 0.077 169 H CYS 66 H CYS 66 4.729 6.450 0.850 170 HA CYS 66 HA CYS 66 3.541 4.743 -1.164 171 H GLU 67 H GLU 67 1.258 4.673 -1.095 172 HA GLU 67 HA GLU 67 -0.007 6.736 0.566 173 H SER 68 H SER 68 -1.266 5.675 1.882 174 HA SER 68 HA SER 68 -2.188 3.097 1.676 175 HG SER 68 HG SER 68 -4.842 5.129 3.631 176 H VAL 69 H VAL 69 -3.741 2.069 0.668 177 HA VAL 69 HA VAL 69 -5.011 3.041 -1.553 178 HB VAL 69 HB VAL 69 -6.526 1.059 -1.352 179 H LYS 70 H LYS 70 -6.270 4.769 -1.529 180 HA LYS 70 HA LYS 70 -8.339 5.097 0.489 181 H CYS 71 H CYS 71 -10.241 4.106 0.209 182 HA CYS 71 HA CYS 71 -11.131 3.451 -2.494 183 H GLN 72 H GLN 72 -12.606 4.574 -3.493 184 HA GLN 72 HA GLN 72 -13.788 6.872 -2.278 185 H SER 73 H SER 73 -16.390 6.674 -3.584 186 HA SER 73 HA SER 73 -17.921 5.719 -1.504 187 HG SER 73 HG SER 73 -20.096 7.143 -2.257 188 HA PRO 74 HA PRO 74 -17.751 1.313 -1.766 189 HA PRO 75 HA PRO 75 -19.192 -0.431 -5.539 190 H SER 76 H SER 76 -21.098 -0.730 -6.885 191 HA SER 76 HA SER 76 -23.377 0.886 -5.953 192 HG SER 76 HG SER 76 -21.746 2.743 -8.502 193 H ILE 77 H ILE 77 -24.490 -0.922 -5.142 194 HA ILE 77 HA ILE 77 -25.007 -3.248 -6.683 195 HB ILE 77 HB ILE 77 -26.625 -3.845 -4.989 196 H SER 78 H SER 78 -27.620 -3.798 -6.666 197 HA SER 78 HA SER 78 -28.703 -1.846 -8.565 198 HG SER 78 HG SER 78 -29.615 -2.735 -10.272 199 H ASN 79 H ASN 79 -30.833 -1.102 -8.416 200 HA ASN 79 HA ASN 79 -32.556 -0.147 -7.249 201 H GLY 80 H GLY 80 -29.936 -0.013 -5.945 202 H ARG 81 H ARG 81 -28.646 1.153 -1.944 203 HA ARG 81 HA ARG 81 -26.404 2.100 -3.389 204 HE ARG 81 HE ARG 81 -30.363 6.126 -1.607 205 1HH1 ARG 81 1HH1 ARG 81 -29.882 7.338 -4.836 206 1HH2 ARG 81 1HH2 ARG 81 -31.345 8.137 -1.169 207 H HIS 82 H HIS 82 -25.265 3.862 -1.803 208 HA HIS 82 HA HIS 82 -25.293 2.627 0.874 209 HD1 HIS 82 HD1 HIS 82 -22.707 1.823 -2.375 210 HD2 HIS 82 HD2 HIS 82 -22.579 5.758 -1.046 211 HE1 HIS 82 HE1 HIS 82 -21.820 3.159 -4.312 212 HE2 HIS 82 HE2 HIS 82 -21.751 5.537 -3.486 213 H ASN 83 H ASN 83 -24.215 4.164 2.547 214 HA ASN 83 HA ASN 83 -25.383 6.839 2.139 215 H GLY 84 H GLY 84 -22.953 5.620 4.447 216 H TYR 85 H TYR 85 -19.595 8.097 5.611 217 HA TYR 85 HA TYR 85 -21.250 10.491 6.016 218 HD1 TYR 85 HD1 TYR 85 -22.297 8.596 7.154 219 HD2 TYR 85 HD2 TYR 85 -18.757 8.354 9.502 220 HE1 TYR 85 HE1 TYR 85 -23.130 6.527 8.188 221 HE2 TYR 85 HE2 TYR 85 -19.581 6.285 10.542 222 HH TYR 85 HH TYR 85 -21.179 4.455 9.988 223 H GLU 86 H GLU 86 -18.078 9.304 5.177 224 HA GLU 86 HA GLU 86 -17.130 12.008 4.621 225 H ASP 87 H ASP 87 -15.389 11.695 2.610 226 HA ASP 87 HA ASP 87 -17.120 11.007 0.346 227 H PHE 88 H PHE 88 -14.187 10.150 1.936 228 HA PHE 88 HA PHE 88 -13.716 8.099 -0.115 229 HD1 PHE 88 HD1 PHE 88 -12.649 11.322 -1.001 230 HD2 PHE 88 HD2 PHE 88 -10.732 7.539 -1.291 231 HE1 PHE 88 HE1 PHE 88 -12.261 11.709 -3.396 232 HE2 PHE 88 HE2 PHE 88 -10.340 7.913 -3.683 233 HZ PHE 88 HZ PHE 88 -11.101 10.003 -4.747 234 H TYR 89 H TYR 89 -11.988 6.467 0.875 235 HA TYR 89 HA TYR 89 -12.416 5.991 3.704 236 HD1 TYR 89 HD1 TYR 89 -14.845 5.713 0.613 237 HD2 TYR 89 HD2 TYR 89 -15.170 4.554 4.693 238 HE1 TYR 89 HE1 TYR 89 -17.111 6.663 0.698 239 HE2 TYR 89 HE2 TYR 89 -17.437 5.501 4.786 240 HH TYR 89 HH TYR 89 -18.693 7.402 3.421 241 H THR 90 H THR 90 -11.188 4.061 4.463 242 HA THR 90 HA THR 90 -9.063 3.161 2.693 243 HB THR 90 HB THR 90 -7.361 3.763 4.513 244 HG1 THR 90 HG1 THR 90 -9.035 4.345 6.055 245 H ASP 91 H ASP 91 -7.430 1.850 4.304 246 HA ASP 91 HA ASP 91 -8.726 -0.493 4.921 247 H GLY 92 H GLY 92 -10.523 -0.274 6.130 248 H SER 93 H SER 93 -12.265 0.687 6.220 249 HA SER 93 HA SER 93 -13.966 2.436 7.872 250 HG SER 93 HG SER 93 -11.780 3.139 6.284 251 H VAL 94 H VAL 94 -16.247 2.386 7.536 252 HA VAL 94 HA VAL 94 -17.246 0.017 6.123 253 HB VAL 94 HB VAL 94 -18.002 0.802 8.940 254 H VAL 95 H VAL 95 -19.437 0.109 5.497 255 HA VAL 95 HA VAL 95 -20.855 2.636 5.786 256 HB VAL 95 HB VAL 95 -20.316 1.499 3.047 257 H THR 96 H THR 96 -23.072 2.468 5.416 258 HA THR 96 HA THR 96 -24.054 -0.297 5.317 259 HB THR 96 HB THR 96 -26.190 1.248 6.112 260 HG1 THR 96 HG1 THR 96 -25.228 2.534 7.817 261 H TYR 97 H TYR 97 -25.411 -0.952 3.757 262 HA TYR 97 HA TYR 97 -25.935 0.934 1.596 263 HD1 TYR 97 HD1 TYR 97 -23.506 -0.385 1.932 264 HD2 TYR 97 HD2 TYR 97 -25.778 -1.612 -1.451 265 HE1 TYR 97 HE1 TYR 97 -21.516 -0.149 0.519 266 HE2 TYR 97 HE2 TYR 97 -23.785 -1.386 -2.873 267 HH TYR 97 HH TYR 97 -20.950 -1.458 -2.096 268 H SER 98 H SER 98 -27.980 1.182 0.655 269 HA SER 98 HA SER 98 -30.300 0.200 2.122 270 HG SER 98 HG SER 98 -30.257 2.833 4.144 271 H CYS 99 H CYS 99 -32.103 -0.042 0.861 272 HA CYS 99 HA CYS 99 -31.733 -0.033 -1.947 273 H ASN 100 H ASN 100 -33.110 1.071 -3.515 274 HA ASN 100 HA ASN 100 -33.448 3.869 -2.747 275 H SER 101 H SER 101 -35.296 2.267 -5.277 276 HA SER 101 HA SER 101 -37.653 3.557 -4.925 277 HG SER 101 HG SER 101 -38.791 2.771 -7.068 278 H GLY 102 H GLY 102 -36.474 0.859 -3.019 279 H TYR 103 H TYR 103 -35.990 -0.832 -2.189 280 HA TYR 103 HA TYR 103 -37.388 -3.347 -2.064 281 HD1 TYR 103 HD1 TYR 103 -35.694 -1.298 -4.747 282 HD2 TYR 103 HD2 TYR 103 -36.369 -5.448 -4.087 283 HE1 TYR 103 HE1 TYR 103 -36.612 -1.504 -7.019 284 HE2 TYR 103 HE2 TYR 103 -37.290 -5.666 -6.356 285 HH TYR 103 HH TYR 103 -36.978 -3.215 -8.710 286 H SER 104 H SER 104 -35.648 -5.143 -1.109 287 HA SER 104 HA SER 104 -35.352 -4.374 1.710 288 HG SER 104 HG SER 104 -37.599 -5.931 0.257 289 H LEU 105 H LEU 105 -33.316 -3.955 2.152 290 HA LEU 105 HA LEU 105 -31.034 -4.556 0.801 291 HG LEU 105 HG LEU 105 -29.538 -2.471 3.324 292 H ILE 106 H ILE 106 -30.268 -6.430 0.145 293 HA ILE 106 HA ILE 106 -30.821 -8.855 1.665 294 HB ILE 106 HB ILE 106 -29.658 -8.422 -1.084 295 H GLY 107 H GLY 107 -29.107 -10.337 2.209 296 H ASN 108 H ASN 108 -25.199 -8.262 3.083 297 HA ASN 108 HA ASN 108 -26.266 -7.241 5.633 298 H SER 109 H SER 109 -26.430 -5.083 5.827 299 HA SER 109 HA SER 109 -26.063 -3.434 3.539 300 HG SER 109 HG SER 109 -27.140 -0.728 4.927 301 H GLY 110 H GLY 110 -24.189 -4.138 6.384 302 H VAL 111 H VAL 111 -20.542 -1.678 5.088 303 HA VAL 111 HA VAL 111 -19.470 -3.962 3.576 304 HB VAL 111 HB VAL 111 -19.410 -1.196 2.460 305 H LEU 112 H LEU 112 -17.425 -4.348 4.130 306 HA LEU 112 HA LEU 112 -15.940 -2.413 5.655 307 HG LEU 112 HG LEU 112 -13.421 -5.081 6.405 308 H CYS 113 H CYS 113 -14.414 -1.057 4.974 309 HA CYS 113 HA CYS 113 -13.588 -1.198 2.162 310 H SER 114 H SER 114 -11.788 -2.453 2.051 311 HA SER 114 HA SER 114 -9.431 -1.549 3.472 312 HG SER 114 HG SER 114 -10.851 -4.852 3.080 313 H GLY 115 H GLY 115 -7.799 -1.509 2.099 314 H GLY 116 H GLY 116 -8.530 -0.430 0.238 315 H GLU 117 H GLU 117 -10.148 -1.876 -1.114 316 HA GLU 117 HA GLU 117 -12.273 -1.233 -3.030 317 H TRP 118 H TRP 118 -14.161 -2.949 -2.480 318 HA TRP 118 HA TRP 118 -14.596 -2.745 0.424 319 HD1 TRP 118 HD1 TRP 118 -15.215 -0.202 -2.645 320 HE1 TRP 118 HE1 TRP 118 -15.172 2.170 -1.650 321 HE3 TRP 118 HE3 TRP 118 -17.084 -1.234 1.996 322 HZ2 TRP 118 HZ2 TRP 118 -15.852 3.431 0.770 323 HZ3 TRP 118 HZ3 TRP 118 -17.363 0.618 3.594 324 HH2 TRP 118 HH2 TRP 118 -16.756 2.906 2.990 325 H SER 119 H SER 119 -16.006 -4.354 1.366 326 HA SER 119 HA SER 119 -16.312 -6.808 -0.198 327 HG SER 119 HG SER 119 -13.658 -5.946 1.041 328 H ASP 120 H ASP 120 -17.871 -8.263 0.586 329 HA ASP 120 HA ASP 120 -19.813 -8.909 1.567 330 HA PRO 121 HA PRO 121 -21.842 -4.910 0.039 331 HA PRO 122 HA PRO 122 -25.528 -7.444 -0.021 332 H THR 123 H THR 123 -27.915 -6.909 -0.749 333 HA THR 123 HA THR 123 -27.893 -5.784 -3.461 334 HB THR 123 HB THR 123 -29.683 -8.087 -3.112 335 HG1 THR 123 HG1 THR 123 -28.212 -9.601 -2.849 336 H CYS 124 H CYS 124 -30.546 -6.221 -4.081 337 HA CYS 124 HA CYS 124 -32.137 -5.251 -1.858 338 H GLN 125 H GLN 125 -33.372 -7.067 -2.002 339 HA GLN 125 HA GLN 125 -34.931 -7.380 -4.477 340 H ILE 126 H ILE 126 -37.099 -8.325 -4.119 341 HA ILE 126 HA ILE 126 -38.363 -6.975 -1.874 342 HB ILE 126 HB ILE 126 -39.596 -8.362 -4.255 No H/Q in entry = 342 Start of MODEL 27 1 H ARG 7 H ARG 7 34.820 -3.008 0.426 2 HA ARG 7 HA ARG 7 33.773 -2.664 3.082 3 HE ARG 7 HE ARG 7 35.077 -1.183 -1.904 4 1HH1 ARG 7 1HH1 ARG 7 37.694 0.766 -0.694 5 1HH2 ARG 7 1HH2 ARG 7 36.216 -1.205 -3.881 6 H ARG 8 H ARG 8 31.667 -2.199 3.665 7 HA ARG 8 HA ARG 8 29.664 -3.017 1.745 8 HE ARG 8 HE ARG 8 30.019 -2.840 7.162 9 1HH1 ARG 8 1HH1 ARG 8 26.611 -3.311 7.699 10 1HH2 ARG 8 1HH2 ARG 8 30.310 -3.778 9.225 11 H CYS 9 H CYS 9 27.475 -1.482 2.840 12 HA CYS 9 HA CYS 9 28.146 1.139 1.657 13 HA PRO 10 HA PRO 10 26.742 3.206 5.273 14 H SER 11 H SER 11 24.741 4.211 6.319 15 HA SER 11 HA SER 11 22.722 2.331 6.491 16 HG SER 11 HG SER 11 21.266 3.813 8.915 17 HA PRO 12 HA PRO 12 20.770 2.976 2.454 18 H ARG 13 H ARG 13 18.705 3.888 1.745 19 HA ARG 13 HA ARG 13 17.893 6.086 3.413 20 HE ARG 13 HE ARG 13 15.639 9.564 0.808 21 1HH1 ARG 13 1HH1 ARG 13 17.853 9.146 -1.848 22 1HH2 ARG 13 1HH2 ARG 13 15.134 11.576 -0.138 23 H ASP 14 H ASP 14 15.650 6.485 4.007 24 HA ASP 14 HA ASP 14 14.349 3.962 4.754 25 H ILE 15 H ILE 15 11.909 4.626 5.400 26 HA ILE 15 HA ILE 15 10.657 6.204 3.300 27 HB ILE 15 HB ILE 15 10.910 3.982 2.277 28 H ASP 16 H ASP 16 8.564 6.859 3.801 29 HA ASP 16 HA ASP 16 7.819 6.576 6.588 30 H ASN 17 H ASN 17 5.604 6.002 7.180 31 HA ASN 17 HA ASN 17 4.019 4.351 7.293 32 H GLY 18 H GLY 18 6.690 3.442 6.568 33 H GLN 19 H GLN 19 8.049 -0.557 5.320 34 HA GLN 19 HA GLN 19 10.119 0.225 7.229 35 H LEU 20 H LEU 20 12.127 -0.501 6.689 36 HA LEU 20 HA LEU 20 12.416 -1.750 4.113 37 HG LEU 20 HG LEU 20 14.007 -0.002 3.160 38 H ASP 21 H ASP 21 13.792 -3.569 3.722 39 HA ASP 21 HA ASP 21 13.995 -5.460 5.971 40 H ILE 22 H ILE 22 16.150 -4.491 6.089 41 HA ILE 22 HA ILE 22 17.983 -4.714 3.935 42 HB ILE 22 HB ILE 22 18.953 -4.569 6.751 43 H GLY 23 H GLY 23 18.448 -6.652 3.132 44 H GLY 24 H GLY 24 20.772 -6.371 3.903 45 H VAL 25 H VAL 25 24.583 -5.469 4.054 46 HA VAL 25 HA VAL 25 23.709 -3.237 2.388 47 HB VAL 25 HB VAL 25 24.569 -3.519 5.144 48 H ASP 26 H ASP 26 25.863 -5.658 2.262 49 HA ASP 26 HA ASP 26 28.320 -4.345 1.845 50 H PHE 27 H PHE 27 29.508 -4.087 -0.127 51 HA PHE 27 HA PHE 27 28.195 -2.671 -2.113 52 HD1 PHE 27 HD1 PHE 27 28.484 -1.925 -3.999 53 HD2 PHE 27 HD2 PHE 27 32.340 -3.727 -4.044 54 HE1 PHE 27 HE1 PHE 27 28.765 -1.254 -6.352 55 HE2 PHE 27 HE2 PHE 27 32.629 -3.060 -6.394 56 HZ PHE 27 HZ PHE 27 30.841 -1.822 -7.551 57 H GLY 28 H GLY 28 26.375 -3.769 -2.829 58 H SER 29 H SER 29 25.382 -5.210 -1.742 59 HA SER 29 HA SER 29 23.532 -7.387 -1.806 60 HG SER 29 HG SER 29 24.980 -4.669 0.083 61 H SER 30 H SER 30 21.206 -6.970 -1.006 62 HA SER 30 HA SER 30 20.083 -4.565 -2.240 63 HG SER 30 HG SER 30 19.260 -8.166 -3.817 64 H ILE 31 H ILE 31 18.025 -3.958 -1.464 65 HA ILE 31 HA ILE 31 17.343 -5.180 1.132 66 HB ILE 31 HB ILE 31 16.419 -2.421 0.554 67 H THR 32 H THR 32 14.987 -4.690 1.765 68 HA THR 32 HA THR 32 13.221 -4.815 -0.575 69 HB THR 32 HB THR 32 12.500 -6.518 1.748 70 HG1 THR 32 HG1 THR 32 14.527 -7.200 -0.110 71 H TYR 33 H TYR 33 11.871 -3.162 -0.442 72 HA TYR 33 HA TYR 33 11.283 -1.984 2.148 73 HD1 TYR 33 HD1 TYR 33 13.483 -1.395 -0.191 74 HD2 TYR 33 HD2 TYR 33 10.929 1.556 1.493 75 HE1 TYR 33 HE1 TYR 33 15.436 0.033 0.253 76 HE2 TYR 33 HE2 TYR 33 12.873 2.995 1.941 77 HH TYR 33 HH TYR 33 16.122 1.855 1.575 78 H SER 34 H SER 34 9.159 -1.506 2.878 79 HA SER 34 HA SER 34 6.896 -2.783 1.613 80 HG SER 34 HG SER 34 7.791 -5.609 2.604 81 H CYS 35 H CYS 35 4.858 -2.179 2.609 82 HA CYS 35 HA CYS 35 4.998 0.468 3.755 83 H ASN 36 H ASN 36 3.487 1.013 5.594 84 HA ASN 36 HA ASN 36 4.272 -0.477 7.874 85 H SER 37 H SER 37 0.885 0.405 7.401 86 HA SER 37 HA SER 37 0.048 -2.364 7.303 87 HG SER 37 HG SER 37 0.024 -3.149 10.270 88 H GLY 38 H GLY 38 -1.800 -2.577 6.189 89 H TYR 39 H TYR 39 -1.005 -0.965 4.380 90 HA TYR 39 HA TYR 39 -1.897 1.235 2.636 91 HD1 TYR 39 HD1 TYR 39 -2.025 2.013 4.901 92 HD2 TYR 39 HD2 TYR 39 1.540 3.607 3.222 93 HE1 TYR 39 HE1 TYR 39 -2.544 4.201 5.898 94 HE2 TYR 39 HE2 TYR 39 1.033 5.801 4.211 95 HH TYR 39 HH TYR 39 -2.024 6.464 5.744 96 H HIS 40 H HIS 40 -0.367 1.377 0.629 97 HA HIS 40 HA HIS 40 0.310 -1.284 -0.363 98 HD1 HIS 40 HD1 HIS 40 -1.642 0.292 -4.329 99 HD2 HIS 40 HD2 HIS 40 -1.402 2.515 -0.830 100 HE1 HIS 40 HE1 HIS 40 -2.088 2.672 -5.011 101 HE2 HIS 40 HE2 HIS 40 -1.937 4.000 -2.876 102 H LEU 41 H LEU 41 2.344 -1.207 -0.932 103 HA LEU 41 HA LEU 41 3.676 1.277 -1.497 104 HG LEU 41 HG LEU 41 6.100 0.851 -2.232 105 H ILE 42 H ILE 42 3.966 2.162 -3.441 106 HA ILE 42 HA ILE 42 3.277 0.544 -5.793 107 HB ILE 42 HB ILE 42 3.672 3.489 -6.018 108 H GLY 43 H GLY 43 4.503 0.911 -7.774 109 H GLU 44 H GLU 44 9.057 1.202 -7.256 110 HA GLU 44 HA GLU 44 9.485 -1.645 -7.282 111 H SER 45 H SER 45 11.076 -2.247 -5.267 112 HA SER 45 HA SER 45 10.229 -1.334 -2.706 113 HG SER 45 HG SER 45 8.854 -3.678 -1.157 114 H LYS 46 H LYS 46 12.658 -1.903 -4.278 115 HA LYS 46 HA LYS 46 14.067 -3.369 -2.215 116 H SER 47 H SER 47 15.972 -2.465 -1.853 117 HA SER 47 HA SER 47 17.039 -0.515 -3.759 118 HG SER 47 HG SER 47 18.553 1.249 -1.394 119 H TYR 48 H TYR 48 19.202 -0.641 -4.557 120 HA TYR 48 HA TYR 48 20.483 -3.247 -3.982 121 HD1 TYR 48 HD1 TYR 48 18.585 -4.489 -5.116 122 HD2 TYR 48 HD2 TYR 48 19.175 -1.530 -8.106 123 HE1 TYR 48 HE1 TYR 48 16.279 -4.833 -5.897 124 HE2 TYR 48 HE2 TYR 48 16.872 -1.846 -8.897 125 HH TYR 48 HH TYR 48 14.912 -4.479 -7.827 126 H CYS 49 H CYS 49 22.257 -3.021 -2.973 127 HA CYS 49 HA CYS 49 23.661 -0.581 -2.711 128 H GLU 50 H GLU 50 24.399 0.241 -4.568 129 HA GLU 50 HA GLU 50 26.337 -1.392 -6.062 130 H LEU 51 H LEU 51 27.716 0.137 -7.499 131 HA LEU 51 HA LEU 51 29.124 1.862 -5.652 132 HG LEU 51 HG LEU 51 28.850 1.462 -9.258 133 H GLY 52 H GLY 52 29.569 4.051 -5.951 134 H SER 53 H SER 53 29.768 7.620 -7.673 135 HA SER 53 HA SER 53 30.076 6.879 -10.504 136 HG SER 53 HG SER 53 30.307 10.381 -11.295 137 H THR 54 H THR 54 31.759 7.892 -7.617 138 HA THR 54 HA THR 54 34.309 7.901 -9.070 139 HB THR 54 HB THR 54 35.245 8.992 -7.095 140 HG1 THR 54 HG1 THR 54 33.991 8.057 -5.484 141 H GLY 55 H GLY 55 32.978 5.431 -8.588 142 H SER 56 H SER 56 32.301 5.379 -6.086 143 HA SER 56 HA SER 56 33.063 4.366 -3.470 144 HG SER 56 HG SER 56 31.498 6.203 -1.703 145 H MET 57 H MET 57 30.572 4.522 -2.196 146 HA MET 57 HA MET 57 29.139 2.249 -3.392 147 H VAL 58 H VAL 58 26.959 2.346 -3.501 148 HA VAL 58 HA VAL 58 25.537 4.526 -2.188 149 HB VAL 58 HB VAL 58 24.323 4.860 -4.487 150 H TRP 59 H TRP 59 23.072 4.299 -3.129 151 HA TRP 59 HA TRP 59 22.430 1.433 -3.010 152 HD1 TRP 59 HD1 TRP 59 23.241 3.518 0.403 153 HE1 TRP 59 HE1 TRP 59 23.958 1.674 2.052 154 HE3 TRP 59 HE3 TRP 59 20.529 -0.382 -1.497 155 HZ2 TRP 59 HZ2 TRP 59 23.465 -1.064 2.460 156 HZ3 TRP 59 HZ3 TRP 59 20.707 -2.583 -0.411 157 HH2 TRP 59 HH2 TRP 59 22.139 -2.909 1.533 158 H ASN 60 H ASN 60 21.294 0.778 -4.666 159 HA ASN 60 HA ASN 60 20.090 2.533 -6.555 160 HA PRO 61 HA PRO 61 15.817 3.415 -5.842 161 H GLU 62 H GLU 62 16.074 3.517 -3.598 162 HA GLU 62 HA GLU 62 15.676 1.115 -2.028 163 H ALA 63 H ALA 63 14.278 4.343 -1.488 164 HA ALA 63 HA ALA 63 11.911 3.102 -0.399 165 HA PRO 64 HA PRO 64 9.724 3.851 -4.300 166 H ILE 65 H ILE 65 6.913 3.376 -4.218 167 HA ILE 65 HA ILE 65 6.067 5.709 -2.715 168 HB ILE 65 HB ILE 65 4.146 4.041 -4.248 169 H CYS 66 H CYS 66 3.976 5.604 -1.526 170 HA CYS 66 HA CYS 66 3.054 3.117 -0.492 171 H GLU 67 H GLU 67 0.998 3.354 0.138 172 HA GLU 67 HA GLU 67 0.055 5.846 1.267 173 H SER 68 H SER 68 -2.338 5.709 1.740 174 HA SER 68 HA SER 68 -2.880 3.101 2.892 175 HG SER 68 HG SER 68 -4.990 6.491 3.542 176 H VAL 69 H VAL 69 -3.844 1.641 1.689 177 HA VAL 69 HA VAL 69 -5.123 1.887 -0.693 178 HB VAL 69 HB VAL 69 -6.340 -0.213 -0.123 179 H LYS 70 H LYS 70 -6.601 3.414 -1.073 180 HA LYS 70 HA LYS 70 -8.811 3.755 0.809 181 H CYS 71 H CYS 71 -10.887 3.407 0.325 182 HA CYS 71 HA CYS 71 -11.538 2.135 -2.221 183 H GLN 72 H GLN 72 -12.864 3.018 -3.715 184 HA GLN 72 HA GLN 72 -13.236 5.837 -3.627 185 H SER 73 H SER 73 -15.718 6.308 -4.597 186 HA SER 73 HA SER 73 -17.268 6.068 -2.251 187 HG SER 73 HG SER 73 -19.741 7.503 -4.698 188 HA PRO 74 HA PRO 74 -19.076 1.873 -2.764 189 HA PRO 75 HA PRO 75 -21.186 0.688 -2.207 190 H SER 76 H SER 76 -21.370 -1.727 -3.155 191 HA SER 76 HA SER 76 -19.752 -2.073 -5.550 192 HG SER 76 HG SER 76 -18.457 -4.666 -4.973 193 H ILE 77 H ILE 77 -22.627 -2.272 -4.587 194 HA ILE 77 HA ILE 77 -23.148 -5.105 -5.114 195 HB ILE 77 HB ILE 77 -25.106 -4.959 -3.820 196 H SER 78 H SER 78 -25.899 -4.779 -5.670 197 HA SER 78 HA SER 78 -25.948 -3.143 -8.100 198 HG SER 78 HG SER 78 -27.110 -7.036 -8.373 199 H ASN 79 H ASN 79 -28.006 -2.459 -8.756 200 HA ASN 79 HA ASN 79 -30.058 -1.552 -8.380 201 H GLY 80 H GLY 80 -27.983 -0.909 -6.429 202 H ARG 81 H ARG 81 -27.817 0.871 -2.521 203 HA ARG 81 HA ARG 81 -25.855 2.489 -3.826 204 HE ARG 81 HE ARG 81 -30.056 5.671 -1.862 205 2HH1 ARG 81 2HH1 ARG 81 -32.599 7.164 -4.570 206 1HH2 ARG 81 1HH2 ARG 81 -31.567 7.258 -1.231 207 H HIS 82 H HIS 82 -25.278 4.363 -2.023 208 HA HIS 82 HA HIS 82 -24.820 2.826 0.458 209 HD1 HIS 82 HD1 HIS 82 -23.021 6.620 0.234 210 HD2 HIS 82 HD2 HIS 82 -22.797 4.477 -3.310 211 HE1 HIS 82 HE1 HIS 82 -22.688 8.328 -1.571 212 HE2 HIS 82 HE2 HIS 82 -22.543 7.015 -3.709 213 H ASN 83 H ASN 83 -24.001 4.295 2.247 214 HA ASN 83 HA ASN 83 -25.578 6.777 2.339 215 H GLY 84 H GLY 84 -23.041 6.146 4.679 216 H TYR 85 H TYR 85 -21.688 8.919 2.135 217 HA TYR 85 HA TYR 85 -22.511 10.993 1.706 218 HD1 TYR 85 HD1 TYR 85 -23.972 9.640 2.619 219 HD2 TYR 85 HD2 TYR 85 -23.808 12.167 6.035 220 HE1 TYR 85 HE1 TYR 85 -25.966 8.535 3.515 221 HE2 TYR 85 HE2 TYR 85 -25.816 11.074 6.942 222 HH TYR 85 HH TYR 85 -26.900 8.594 6.550 223 H GLU 86 H GLU 86 -19.651 9.749 2.079 224 HA GLU 86 HA GLU 86 -18.165 12.239 1.765 225 H ASP 87 H ASP 87 -16.076 11.542 0.263 226 HA ASP 87 HA ASP 87 -17.291 10.683 -2.275 227 H PHE 88 H PHE 88 -14.780 10.122 0.013 228 HA PHE 88 HA PHE 88 -14.011 7.726 -1.430 229 HD1 PHE 88 HD1 PHE 88 -13.240 10.575 -3.224 230 HD2 PHE 88 HD2 PHE 88 -10.900 7.097 -2.493 231 HE1 PHE 88 HE1 PHE 88 -12.875 10.312 -5.641 232 HE2 PHE 88 HE2 PHE 88 -10.537 6.827 -4.897 233 HZ PHE 88 HZ PHE 88 -11.521 8.435 -6.485 234 H TYR 89 H TYR 89 -12.380 6.440 0.000 235 HA TYR 89 HA TYR 89 -12.832 6.871 2.849 236 HD1 TYR 89 HD1 TYR 89 -15.023 5.809 -0.111 237 HD2 TYR 89 HD2 TYR 89 -15.727 5.495 4.075 238 HE1 TYR 89 HE1 TYR 89 -17.317 6.631 -0.439 239 HE2 TYR 89 HE2 TYR 89 -18.026 6.329 3.751 240 HH TYR 89 HH TYR 89 -19.714 6.312 1.692 241 H THR 90 H THR 90 -11.720 4.942 4.095 242 HA THR 90 HA THR 90 -9.373 3.984 2.647 243 HB THR 90 HB THR 90 -7.949 4.754 4.634 244 HG1 THR 90 HG1 THR 90 -9.416 5.456 6.086 245 H ASP 91 H ASP 91 -7.988 2.567 4.085 246 HA ASP 91 HA ASP 91 -9.379 0.345 4.884 247 H GLY 92 H GLY 92 -11.071 0.703 6.195 248 H SER 93 H SER 93 -12.797 1.559 6.331 249 HA SER 93 HA SER 93 -14.402 3.485 7.882 250 HG SER 93 HG SER 93 -12.440 3.317 5.241 251 H VAL 94 H VAL 94 -16.720 3.473 7.529 252 HA VAL 94 HA VAL 94 -17.809 0.954 6.527 253 HB VAL 94 HB VAL 94 -18.396 2.052 9.277 254 H VAL 95 H VAL 95 -19.900 1.063 5.766 255 HA VAL 95 HA VAL 95 -21.320 3.615 5.921 256 HB VAL 95 HB VAL 95 -20.823 2.356 3.240 257 H THR 96 H THR 96 -23.519 3.437 5.643 258 HA THR 96 HA THR 96 -24.549 0.695 5.532 259 HB THR 96 HB THR 96 -26.676 2.396 6.145 260 HG1 THR 96 HG1 THR 96 -25.866 3.669 7.810 261 H TYR 97 H TYR 97 -25.566 -0.007 3.809 262 HA TYR 97 HA TYR 97 -25.983 1.833 1.620 263 HD1 TYR 97 HD1 TYR 97 -23.738 0.895 2.611 264 HD2 TYR 97 HD2 TYR 97 -24.629 -1.126 -1.030 265 HE1 TYR 97 HE1 TYR 97 -21.397 1.075 1.944 266 HE2 TYR 97 HE2 TYR 97 -22.284 -0.937 -1.676 267 HH TYR 97 HH TYR 97 -19.827 0.299 0.499 268 H SER 98 H SER 98 -27.791 1.485 0.141 269 HA SER 98 HA SER 98 -30.265 0.472 1.268 270 HG SER 98 HG SER 98 -30.889 2.274 2.993 271 H CYS 99 H CYS 99 -31.816 -0.009 -0.311 272 HA CYS 99 HA CYS 99 -30.827 -0.422 -2.912 273 H ASN 100 H ASN 100 -31.678 0.385 -4.916 274 HA ASN 100 HA ASN 100 -32.285 3.228 -4.753 275 H SER 101 H SER 101 -33.443 1.095 -7.292 276 HA SER 101 HA SER 101 -35.869 2.273 -7.698 277 HG SER 101 HG SER 101 -36.464 0.771 -10.039 278 H GLY 102 H GLY 102 -34.997 0.139 -5.100 279 H TYR 103 H TYR 103 -34.775 -1.587 -4.281 280 HA TYR 103 HA TYR 103 -36.077 -4.097 -4.061 281 HD1 TYR 103 HD1 TYR 103 -33.913 -2.362 -6.557 282 HD2 TYR 103 HD2 TYR 103 -34.416 -6.407 -5.332 283 HE1 TYR 103 HE1 TYR 103 -34.213 -3.029 -8.905 284 HE2 TYR 103 HE2 TYR 103 -34.720 -7.086 -7.675 285 HH TYR 103 HH TYR 103 -35.328 -4.926 -10.152 286 H SER 104 H SER 104 -34.543 -5.675 -2.524 287 HA SER 104 HA SER 104 -34.808 -4.571 0.195 288 HG SER 104 HG SER 104 -36.705 -6.498 -1.573 289 H LEU 105 H LEU 105 -32.720 -3.962 0.519 290 HA LEU 105 HA LEU 105 -30.417 -5.071 -0.367 291 HG LEU 105 HG LEU 105 -28.632 -4.043 0.114 292 H ILE 106 H ILE 106 -29.084 -6.634 0.154 293 HA ILE 106 HA ILE 106 -29.855 -8.488 2.300 294 HB ILE 106 HB ILE 106 -28.601 -9.191 -0.344 295 H GLY 107 H GLY 107 -28.080 -9.835 3.104 296 H ASN 108 H ASN 108 -27.484 -7.743 4.611 297 HA ASN 108 HA ASN 108 -27.286 -5.966 6.006 298 H SER 109 H SER 109 -27.193 -3.940 5.610 299 HA SER 109 HA SER 109 -26.037 -2.828 3.316 300 HG SER 109 HG SER 109 -27.234 -0.049 5.918 301 H GLY 110 H GLY 110 -24.818 -3.291 6.513 302 H VAL 111 H VAL 111 -20.973 -1.029 5.569 303 HA VAL 111 HA VAL 111 -19.760 -3.320 4.181 304 HB VAL 111 HB VAL 111 -20.004 -0.591 2.974 305 H LEU 112 H LEU 112 -17.682 -3.551 4.709 306 HA LEU 112 HA LEU 112 -16.362 -1.415 6.161 307 HG LEU 112 HG LEU 112 -13.546 -2.951 5.725 308 H CYS 113 H CYS 113 -14.873 -0.094 5.380 309 HA CYS 113 HA CYS 113 -13.924 -0.464 2.644 310 H SER 114 H SER 114 -12.388 -2.002 2.681 311 HA SER 114 HA SER 114 -9.968 -1.429 4.234 312 HG SER 114 HG SER 114 -11.143 -5.313 4.349 313 H GLY 115 H GLY 115 -8.045 -2.511 3.377 314 H GLY 116 H GLY 116 -8.451 -0.574 1.463 315 H GLU 117 H GLU 117 -10.478 -1.558 0.106 316 HA GLU 117 HA GLU 117 -12.330 -0.763 -1.994 317 H TRP 118 H TRP 118 -14.396 -2.236 -1.700 318 HA TRP 118 HA TRP 118 -15.055 -2.038 1.138 319 HD1 TRP 118 HD1 TRP 118 -16.225 0.148 -2.323 320 HE1 TRP 118 HE1 TRP 118 -16.246 2.537 -1.426 321 HE3 TRP 118 HE3 TRP 118 -17.055 -0.835 2.629 322 HZ2 TRP 118 HZ2 TRP 118 -16.612 3.843 1.022 323 HZ3 TRP 118 HZ3 TRP 118 -17.229 1.068 4.184 324 HH2 TRP 118 HH2 TRP 118 -17.002 3.366 3.391 325 H SER 119 H SER 119 -15.346 -3.732 2.365 326 HA SER 119 HA SER 119 -15.416 -6.380 1.105 327 HG SER 119 HG SER 119 -14.272 -4.542 4.075 328 H ASP 120 H ASP 120 -16.815 -7.979 1.851 329 HA ASP 120 HA ASP 120 -18.859 -8.791 2.403 330 HA PRO 121 HA PRO 121 -20.987 -4.689 1.095 331 HA PRO 122 HA PRO 122 -24.649 -7.158 1.163 332 H THR 123 H THR 123 -26.854 -7.105 -0.088 333 HA THR 123 HA THR 123 -26.366 -6.982 -2.979 334 HB THR 123 HB THR 123 -28.379 -8.956 -2.306 335 HG1 THR 123 HG1 THR 123 -27.198 -10.395 -1.204 336 H CYS 124 H CYS 124 -29.023 -7.605 -3.643 337 HA CYS 124 HA CYS 124 -30.766 -5.896 -2.190 338 H GLN 125 H GLN 125 -31.990 -7.759 -2.438 339 HA GLN 125 HA GLN 125 -33.013 -8.291 -5.134 340 H ILE 126 H ILE 126 -35.235 -9.253 -5.119 341 HA ILE 126 HA ILE 126 -37.005 -7.527 -3.588 342 HB ILE 126 HB ILE 126 -37.574 -9.450 -5.847 No H/Q in entry = 342 Start of MODEL 28 1 H ARG 7 H ARG 7 35.740 -2.703 2.518 2 HA ARG 7 HA ARG 7 34.332 -1.802 4.059 3 HE ARG 7 HE ARG 7 38.315 1.632 3.699 4 1HH1 ARG 7 1HH1 ARG 7 36.481 3.254 6.175 5 1HH2 ARG 7 1HH2 ARG 7 40.083 2.887 4.410 6 H ARG 8 H ARG 8 32.094 -1.095 4.404 7 HA ARG 8 HA ARG 8 30.400 -2.060 2.241 8 HE ARG 8 HE ARG 8 29.965 -1.712 7.337 9 1HH1 ARG 8 1HH1 ARG 8 28.464 -4.775 8.039 10 1HH2 ARG 8 1HH2 ARG 8 29.462 -1.152 9.491 11 H CYS 9 H CYS 9 28.024 -0.718 3.031 12 HA CYS 9 HA CYS 9 28.590 1.931 1.910 13 HA PRO 10 HA PRO 10 27.275 4.101 5.501 14 H SER 11 H SER 11 25.287 4.958 6.665 15 HA SER 11 HA SER 11 23.442 2.932 7.063 16 HG SER 11 HG SER 11 21.332 5.676 8.084 17 HA PRO 12 HA PRO 12 21.195 3.289 3.145 18 H ARG 13 H ARG 13 19.127 4.126 2.496 19 HA ARG 13 HA ARG 13 18.179 6.223 4.219 20 HE ARG 13 HE ARG 13 16.810 9.731 0.999 21 1HH1 ARG 13 1HH1 ARG 13 13.636 8.307 0.831 22 1HH2 ARG 13 1HH2 ARG 13 15.832 11.620 0.174 23 H ASP 14 H ASP 14 15.672 6.463 4.323 24 HA ASP 14 HA ASP 14 14.543 3.854 5.077 25 H ILE 15 H ILE 15 12.089 4.356 5.715 26 HA ILE 15 HA ILE 15 10.821 6.052 3.699 27 HB ILE 15 HB ILE 15 11.076 3.889 2.581 28 H ASP 16 H ASP 16 8.768 6.731 4.277 29 HA ASP 16 HA ASP 16 8.030 6.315 7.044 30 H ASN 17 H ASN 17 5.860 5.618 7.634 31 HA ASN 17 HA ASN 17 4.299 3.941 7.650 32 H GLY 18 H GLY 18 7.065 3.245 6.812 33 H GLN 19 H GLN 19 8.498 -0.741 5.574 34 HA GLN 19 HA GLN 19 10.563 0.068 7.484 35 H LEU 20 H LEU 20 12.594 -0.776 7.056 36 HA LEU 20 HA LEU 20 12.894 -1.933 4.407 37 HG LEU 20 HG LEU 20 14.107 0.668 6.623 38 H ASP 21 H ASP 21 14.505 -3.618 4.052 39 HA ASP 21 HA ASP 21 14.754 -5.506 6.297 40 H ILE 22 H ILE 22 16.827 -4.291 6.418 41 HA ILE 22 HA ILE 22 18.736 -4.516 4.320 42 HB ILE 22 HB ILE 22 19.599 -4.074 7.142 43 H GLY 23 H GLY 23 19.186 -6.579 3.719 44 H GLY 24 H GLY 24 21.542 -6.040 4.608 45 H VAL 25 H VAL 25 25.661 -5.179 4.321 46 HA VAL 25 HA VAL 25 24.508 -2.891 2.885 47 HB VAL 25 HB VAL 25 25.665 -1.362 4.492 48 H ASP 26 H ASP 26 26.762 -5.107 2.579 49 HA ASP 26 HA ASP 26 29.020 -3.362 2.040 50 H PHE 27 H PHE 27 30.192 -3.573 -0.020 51 HA PHE 27 HA PHE 27 28.706 -2.707 -2.171 52 HD1 PHE 27 HD1 PHE 27 28.984 -2.969 -4.539 53 HD2 PHE 27 HD2 PHE 27 32.659 -1.504 -2.961 54 HE1 PHE 27 HE1 PHE 27 29.139 -1.364 -6.391 55 HE2 PHE 27 HE2 PHE 27 32.812 0.111 -4.812 56 HZ PHE 27 HZ PHE 27 31.051 0.183 -6.529 57 H GLY 28 H GLY 28 26.883 -3.983 -2.499 58 H SER 29 H SER 29 25.943 -5.121 -1.091 59 HA SER 29 HA SER 29 23.994 -7.200 -0.698 60 HG SER 29 HG SER 29 25.376 -6.461 2.379 61 H SER 30 H SER 30 21.711 -6.789 -0.274 62 HA SER 30 HA SER 30 20.681 -4.374 -1.584 63 HG SER 30 HG SER 30 21.014 -7.728 -2.756 64 H ILE 31 H ILE 31 18.817 -3.548 -0.755 65 HA ILE 31 HA ILE 31 17.901 -4.769 1.760 66 HB ILE 31 HB ILE 31 17.006 -2.027 1.237 67 H THR 32 H THR 32 15.635 -4.734 2.246 68 HA THR 32 HA THR 32 13.954 -4.640 -0.173 69 HB THR 32 HB THR 32 13.109 -6.250 2.191 70 HG1 THR 32 HG1 THR 32 15.193 -6.968 0.421 71 H TYR 33 H TYR 33 12.537 -3.062 -0.188 72 HA TYR 33 HA TYR 33 11.836 -1.739 2.311 73 HD1 TYR 33 HD1 TYR 33 14.307 -0.770 0.037 74 HD2 TYR 33 HD2 TYR 33 11.243 1.504 1.935 75 HE1 TYR 33 HE1 TYR 33 15.994 0.828 0.857 76 HE2 TYR 33 HE2 TYR 33 12.922 3.101 2.752 77 HH TYR 33 HH TYR 33 15.135 3.843 2.285 78 H SER 34 H SER 34 9.820 -1.648 3.157 79 HA SER 34 HA SER 34 7.563 -2.683 1.621 80 HG SER 34 HG SER 34 8.445 -5.652 2.529 81 H CYS 35 H CYS 35 5.474 -2.263 2.666 82 HA CYS 35 HA CYS 35 5.505 0.302 3.992 83 H ASN 36 H ASN 36 3.789 0.562 5.828 84 HA ASN 36 HA ASN 36 4.706 -1.074 7.995 85 H SER 37 H SER 37 1.315 -0.243 7.399 86 HA SER 37 HA SER 37 0.537 -3.006 7.127 87 HG SER 37 HG SER 37 -0.699 -4.059 9.861 88 H GLY 38 H GLY 38 -1.319 -3.182 6.003 89 H TYR 39 H TYR 39 -0.514 -1.475 4.294 90 HA TYR 39 HA TYR 39 -1.371 0.850 2.700 91 HD1 TYR 39 HD1 TYR 39 -1.568 1.534 5.039 92 HD2 TYR 39 HD2 TYR 39 1.974 3.237 3.417 93 HE1 TYR 39 HE1 TYR 39 -2.150 3.695 6.058 94 HE2 TYR 39 HE2 TYR 39 1.402 5.405 4.427 95 HH TYR 39 HH TYR 39 0.068 6.327 6.177 96 H HIS 40 H HIS 40 0.017 1.155 0.706 97 HA HIS 40 HA HIS 40 0.911 -1.400 -0.407 98 HD1 HIS 40 HD1 HIS 40 -1.107 0.299 -4.304 99 HD2 HIS 40 HD2 HIS 40 -0.911 2.343 -0.697 100 HE1 HIS 40 HE1 HIS 40 -1.645 2.692 -4.859 101 HE2 HIS 40 HE2 HIS 40 -1.521 3.913 -2.658 102 H LEU 41 H LEU 41 2.886 -1.257 -1.150 103 HA LEU 41 HA LEU 41 4.171 1.317 -1.371 104 HG LEU 41 HG LEU 41 6.625 1.110 -1.917 105 H ILE 42 H ILE 42 4.549 2.392 -3.195 106 HA ILE 42 HA ILE 42 3.976 1.018 -5.729 107 HB ILE 42 HB ILE 42 4.202 3.979 -5.668 108 H GLY 43 H GLY 43 5.321 1.294 -7.511 109 H GLU 44 H GLU 44 9.866 1.794 -7.025 110 HA GLU 44 HA GLU 44 10.327 -1.019 -7.247 111 H SER 45 H SER 45 11.751 -1.864 -5.229 112 HA SER 45 HA SER 45 10.790 -1.185 -2.637 113 HG SER 45 HG SER 45 9.492 -3.471 -1.324 114 H LYS 46 H LYS 46 13.274 -1.705 -4.128 115 HA LYS 46 HA LYS 46 14.543 -3.336 -2.127 116 H SER 47 H SER 47 16.451 -2.487 -1.655 117 HA SER 47 HA SER 47 17.622 -0.547 -3.520 118 HG SER 47 HG SER 47 16.100 -0.490 -0.805 119 H TYR 48 H TYR 48 19.895 -0.533 -3.917 120 HA TYR 48 HA TYR 48 21.197 -3.097 -3.243 121 HD1 TYR 48 HD1 TYR 48 19.348 -4.232 -4.443 122 HD2 TYR 48 HD2 TYR 48 20.307 -1.544 -7.591 123 HE1 TYR 48 HE1 TYR 48 17.139 -4.631 -5.443 124 HE2 TYR 48 HE2 TYR 48 18.099 -1.924 -8.603 125 HH TYR 48 HH TYR 48 15.586 -3.590 -6.955 126 H CYS 49 H CYS 49 23.045 -2.943 -2.302 127 HA CYS 49 HA CYS 49 24.249 -0.409 -1.798 128 H GLU 50 H GLU 50 25.553 0.624 -3.096 129 HA GLU 50 HA GLU 50 27.760 -0.693 -4.356 130 H LEU 51 H LEU 51 29.033 0.919 -5.640 131 HA LEU 51 HA LEU 51 29.072 3.399 -4.091 132 HG LEU 51 HG LEU 51 31.131 2.869 -7.076 133 H GLY 52 H GLY 52 28.638 5.322 -4.916 134 H SER 53 H SER 53 29.722 7.928 -6.739 135 HA SER 53 HA SER 53 27.954 10.044 -6.362 136 HG SER 53 HG SER 53 28.458 11.460 -4.342 137 H THR 54 H THR 54 30.184 9.468 -7.837 138 HA THR 54 HA THR 54 31.981 10.609 -8.642 139 HB THR 54 HB THR 54 32.425 12.244 -6.225 140 HG1 THR 54 HG1 THR 54 30.668 13.629 -6.923 141 H GLY 55 H GLY 55 32.004 8.240 -6.926 142 H SER 56 H SER 56 31.706 8.052 -4.899 143 HA SER 56 HA SER 56 32.840 7.353 -2.280 144 HG SER 56 HG SER 56 31.531 10.006 -0.963 145 H MET 57 H MET 57 30.339 6.730 -1.092 146 HA MET 57 HA MET 57 29.699 4.231 -2.491 147 H VAL 58 H VAL 58 27.569 3.789 -2.866 148 HA VAL 58 HA VAL 58 25.603 5.554 -1.616 149 HB VAL 58 HB VAL 58 26.531 5.686 -4.248 150 H TRP 59 H TRP 59 23.376 4.835 -2.676 151 HA TRP 59 HA TRP 59 23.104 1.924 -2.414 152 HD1 TRP 59 HD1 TRP 59 23.663 3.963 0.941 153 HE1 TRP 59 HE1 TRP 59 24.453 2.159 2.611 154 HE3 TRP 59 HE3 TRP 59 21.117 -0.050 -0.937 155 HZ2 TRP 59 HZ2 TRP 59 24.047 -0.612 3.052 156 HZ3 TRP 59 HZ3 TRP 59 21.371 -2.235 0.157 157 HH2 TRP 59 HH2 TRP 59 22.798 -2.508 2.102 158 H ASN 60 H ASN 60 21.729 0.996 -3.807 159 HA ASN 60 HA ASN 60 20.564 2.603 -5.898 160 HA PRO 61 HA PRO 61 16.230 3.266 -5.426 161 H GLU 62 H GLU 62 16.486 3.595 -3.198 162 HA GLU 62 HA GLU 62 16.103 1.360 -1.405 163 H ALA 63 H ALA 63 14.712 4.467 -0.627 164 HA ALA 63 HA ALA 63 12.269 3.190 0.118 165 HA PRO 64 HA PRO 64 10.289 4.304 -3.809 166 H ILE 65 H ILE 65 7.453 3.867 -3.873 167 HA ILE 65 HA ILE 65 6.613 6.011 -2.083 168 HB ILE 65 HB ILE 65 4.699 4.785 -3.979 169 H CYS 66 H CYS 66 4.601 5.827 -0.896 170 HA CYS 66 HA CYS 66 3.403 3.273 -0.463 171 H GLU 67 H GLU 67 1.468 3.420 0.592 172 HA GLU 67 HA GLU 67 0.698 5.619 2.213 173 H SER 68 H SER 68 -1.761 5.564 2.577 174 HA SER 68 HA SER 68 -2.489 2.846 3.122 175 HG SER 68 HG SER 68 -4.047 6.288 3.201 176 H VAL 69 H VAL 69 -2.880 1.672 1.340 177 HA VAL 69 HA VAL 69 -3.863 2.351 -1.077 178 HB VAL 69 HB VAL 69 -2.986 0.172 -0.587 179 H LYS 70 H LYS 70 -5.494 3.864 -1.063 180 HA LYS 70 HA LYS 70 -7.828 3.670 0.520 181 H CYS 71 H CYS 71 -10.038 3.646 -0.378 182 HA CYS 71 HA CYS 71 -10.311 1.696 -2.568 183 H GLN 72 H GLN 72 -11.587 2.255 -4.201 184 HA GLN 72 HA GLN 72 -12.642 4.883 -4.339 185 H SER 73 H SER 73 -15.123 4.302 -5.732 186 HA SER 73 HA SER 73 -16.934 4.508 -3.661 187 HG SER 73 HG SER 73 -18.996 5.509 -5.435 188 HA PRO 74 HA PRO 74 -17.251 0.494 -1.885 189 HA PRO 75 HA PRO 75 -18.354 -2.673 -4.709 190 H SER 76 H SER 76 -19.995 -3.357 -6.162 191 HA SER 76 HA SER 76 -22.269 -1.495 -6.313 192 HG SER 76 HG SER 76 -20.881 -3.263 -9.689 193 H ILE 77 H ILE 77 -23.656 -2.713 -5.003 194 HA ILE 77 HA ILE 77 -24.162 -5.475 -5.415 195 HB ILE 77 HB ILE 77 -26.066 -5.196 -3.932 196 H SER 78 H SER 78 -26.542 -6.181 -5.773 197 HA SER 78 HA SER 78 -27.360 -5.063 -8.352 198 HG SER 78 HG SER 78 -26.433 -8.308 -7.370 199 H ASN 79 H ASN 79 -29.382 -4.241 -8.726 200 HA ASN 79 HA ASN 79 -31.342 -3.192 -8.258 201 H GLY 80 H GLY 80 -28.876 -2.348 -6.931 202 H ARG 81 H ARG 81 -27.950 0.364 -3.645 203 HA ARG 81 HA ARG 81 -25.417 0.318 -4.907 204 HE ARG 81 HE ARG 81 -29.940 3.608 -6.575 205 1HH1 ARG 81 1HH1 ARG 81 -27.938 3.876 -9.413 206 1HH2 ARG 81 1HH2 ARG 81 -31.701 3.971 -7.979 207 H HIS 82 H HIS 82 -24.198 2.505 -4.103 208 HA HIS 82 HA HIS 82 -24.577 2.460 -1.199 209 HD1 HIS 82 HD1 HIS 82 -20.987 1.162 -3.464 210 HD2 HIS 82 HD2 HIS 82 -22.516 4.972 -4.107 211 HE1 HIS 82 HE1 HIS 82 -20.122 1.862 -5.719 212 HE2 HIS 82 HE2 HIS 82 -21.060 4.171 -6.088 213 H ASN 83 H ASN 83 -23.675 4.653 -0.182 214 HA ASN 83 HA ASN 83 -25.086 6.854 -1.549 215 H GLY 84 H GLY 84 -22.144 5.971 -1.294 216 H TYR 85 H TYR 85 -19.622 9.687 -0.105 217 HA TYR 85 HA TYR 85 -21.117 11.438 -1.927 218 HD1 TYR 85 HD1 TYR 85 -22.562 10.742 -0.191 219 HD2 TYR 85 HD2 TYR 85 -19.941 12.699 2.529 220 HE1 TYR 85 HE1 TYR 85 -23.907 9.912 1.692 221 HE2 TYR 85 HE2 TYR 85 -21.279 11.875 4.421 222 HH TYR 85 HH TYR 85 -22.844 10.012 4.896 223 H GLU 86 H GLU 86 -17.974 10.292 -1.024 224 HA GLU 86 HA GLU 86 -16.688 12.012 -3.004 225 H ASP 87 H ASP 87 -14.590 10.597 -3.839 226 HA ASP 87 HA ASP 87 -15.817 8.341 -5.270 227 H PHE 88 H PHE 88 -13.480 9.128 -2.919 228 HA PHE 88 HA PHE 88 -12.405 6.404 -3.103 229 HD1 PHE 88 HD1 PHE 88 -11.752 7.603 -5.524 230 HD2 PHE 88 HD2 PHE 88 -8.561 6.590 -2.908 231 HE1 PHE 88 HE1 PHE 88 -10.656 6.382 -7.347 232 HE2 PHE 88 HE2 PHE 88 -7.456 5.366 -4.717 233 HZ PHE 88 HZ PHE 88 -8.496 5.255 -6.952 234 H TYR 89 H TYR 89 -11.269 5.723 -1.094 235 HA TYR 89 HA TYR 89 -12.090 7.056 1.349 236 HD1 TYR 89 HD1 TYR 89 -14.247 5.284 -1.297 237 HD2 TYR 89 HD2 TYR 89 -14.986 6.432 2.730 238 HE1 TYR 89 HE1 TYR 89 -16.400 6.249 -1.978 239 HE2 TYR 89 HE2 TYR 89 -17.147 7.402 2.063 240 HH TYR 89 HH TYR 89 -18.764 7.268 0.313 241 H THR 90 H THR 90 -11.020 6.252 3.236 242 HA THR 90 HA THR 90 -8.577 4.756 2.580 243 HB THR 90 HB THR 90 -7.978 5.926 4.936 244 HG1 THR 90 HG1 THR 90 -9.574 7.859 3.636 245 H ASP 91 H ASP 91 -7.603 4.025 4.923 246 HA ASP 91 HA ASP 91 -9.182 1.786 5.639 247 H GLY 92 H GLY 92 -11.064 2.316 6.540 248 H SER 93 H SER 93 -12.621 3.322 6.087 249 HA SER 93 HA SER 93 -14.387 5.553 6.762 250 HG SER 93 HG SER 93 -12.116 5.739 5.114 251 H VAL 94 H VAL 94 -16.643 5.472 6.155 252 HA VAL 94 HA VAL 94 -17.742 2.764 5.905 253 HB VAL 94 HB VAL 94 -18.653 4.814 7.929 254 H VAL 95 H VAL 95 -19.799 2.629 4.984 255 HA VAL 95 HA VAL 95 -21.043 5.050 3.951 256 HB VAL 95 HB VAL 95 -20.299 2.841 2.044 257 H THR 96 H THR 96 -23.205 4.781 3.395 258 HA THR 96 HA THR 96 -24.390 2.264 4.324 259 HB THR 96 HB THR 96 -26.484 4.007 3.943 260 HG1 THR 96 HG1 THR 96 -24.413 5.534 5.106 261 H TYR 97 H TYR 97 -25.769 1.080 3.038 262 HA TYR 97 HA TYR 97 -25.674 1.760 0.194 263 HD1 TYR 97 HD1 TYR 97 -23.443 0.744 1.424 264 HD2 TYR 97 HD2 TYR 97 -25.298 -1.899 -1.342 265 HE1 TYR 97 HE1 TYR 97 -21.265 0.316 0.390 266 HE2 TYR 97 HE2 TYR 97 -23.116 -2.340 -2.385 267 HH TYR 97 HH TYR 97 -20.812 -0.874 -2.519 268 H SER 98 H SER 98 -27.536 1.439 -1.136 269 HA SER 98 HA SER 98 -30.127 1.318 0.176 270 HG SER 98 HG SER 98 -29.071 4.755 0.360 271 H CYS 99 H CYS 99 -31.754 0.600 -1.141 272 HA CYS 99 HA CYS 99 -30.988 -0.693 -3.561 273 H ASN 100 H ASN 100 -32.269 -0.414 -5.608 274 HA ASN 100 HA ASN 100 -32.393 2.445 -6.232 275 H SER 101 H SER 101 -34.103 -0.103 -7.956 276 HA SER 101 HA SER 101 -36.395 1.276 -8.477 277 HG SER 101 HG SER 101 -36.687 -1.158 -10.468 278 H GLY 102 H GLY 102 -35.504 -0.252 -5.470 279 H TYR 103 H TYR 103 -35.239 -1.496 -3.950 280 HA TYR 103 HA TYR 103 -36.824 -3.691 -2.980 281 HD1 TYR 103 HD1 TYR 103 -34.758 -2.879 -5.952 282 HD2 TYR 103 HD2 TYR 103 -35.564 -6.509 -3.882 283 HE1 TYR 103 HE1 TYR 103 -35.355 -3.954 -8.082 284 HE2 TYR 103 HE2 TYR 103 -36.163 -7.593 -6.007 285 HH TYR 103 HH TYR 103 -37.028 -6.774 -8.314 286 H SER 104 H SER 104 -35.407 -4.961 -1.135 287 HA SER 104 HA SER 104 -35.287 -3.075 1.123 288 HG SER 104 HG SER 104 -38.010 -4.890 2.021 289 H LEU 105 H LEU 105 -33.213 -2.636 1.479 290 HA LEU 105 HA LEU 105 -31.012 -4.018 0.706 291 HG LEU 105 HG LEU 105 -29.071 -3.182 1.138 292 H ILE 106 H ILE 106 -29.933 -5.711 1.280 293 HA ILE 106 HA ILE 106 -30.893 -7.302 3.541 294 HB ILE 106 HB ILE 106 -29.159 -8.020 1.178 295 H GLY 107 H GLY 107 -29.334 -8.302 4.978 296 H ASN 108 H ASN 108 -25.540 -5.888 5.668 297 HA ASN 108 HA ASN 108 -27.015 -3.900 7.271 298 H SER 109 H SER 109 -27.173 -1.906 6.455 299 HA SER 109 HA SER 109 -26.353 -1.289 3.849 300 HG SER 109 HG SER 109 -26.389 0.758 6.739 301 H GLY 110 H GLY 110 -24.857 -0.767 6.953 302 H VAL 111 H VAL 111 -20.933 0.838 5.229 303 HA VAL 111 HA VAL 111 -19.823 -1.878 5.043 304 HB VAL 111 HB VAL 111 -19.526 0.094 2.821 305 H LEU 112 H LEU 112 -17.890 -1.947 5.984 306 HA LEU 112 HA LEU 112 -16.472 0.490 6.584 307 HG LEU 112 HG LEU 112 -14.275 -1.484 8.890 308 H CYS 113 H CYS 113 -14.684 1.270 5.638 309 HA CYS 113 HA CYS 113 -13.612 -0.215 3.337 310 H SER 114 H SER 114 -11.957 -1.438 4.112 311 HA SER 114 HA SER 114 -9.802 -0.019 5.508 312 HG SER 114 HG SER 114 -10.149 -0.253 7.720 313 H GLY 115 H GLY 115 -8.075 -0.089 4.226 314 H GLY 116 H GLY 116 -8.158 0.281 1.726 315 H GLU 117 H GLU 117 -9.982 -1.681 1.291 316 HA GLU 117 HA GLU 117 -11.692 -2.642 -0.880 317 H TRP 118 H TRP 118 -13.674 -3.764 0.131 318 HA TRP 118 HA TRP 118 -14.597 -2.164 2.419 319 HD1 TRP 118 HD1 TRP 118 -14.682 -1.399 -1.620 320 HE1 TRP 118 HE1 TRP 118 -14.610 1.165 -1.818 321 HE3 TRP 118 HE3 TRP 118 -17.029 -0.184 2.755 322 HZ2 TRP 118 HZ2 TRP 118 -15.439 3.405 -0.315 323 HZ3 TRP 118 HZ3 TRP 118 -17.356 2.196 3.296 324 HH2 TRP 118 HH2 TRP 118 -16.575 3.952 1.790 325 H SER 119 H SER 119 -16.227 -3.154 3.767 326 HA SER 119 HA SER 119 -16.417 -6.068 3.544 327 HG SER 119 HG SER 119 -13.685 -5.066 5.163 328 H ASP 120 H ASP 120 -18.200 -7.008 4.550 329 HA ASP 120 HA ASP 120 -20.340 -7.167 5.291 330 HA PRO 121 HA PRO 121 -21.717 -4.174 1.892 331 HA PRO 122 HA PRO 122 -25.566 -6.413 2.324 332 H THR 123 H THR 123 -27.764 -6.254 1.067 333 HA THR 123 HA THR 123 -27.255 -6.335 -1.828 334 HB THR 123 HB THR 123 -29.245 -8.283 -0.977 335 HG1 THR 123 HG1 THR 123 -27.672 -9.739 -0.113 336 H CYS 124 H CYS 124 -29.919 -7.150 -2.470 337 HA CYS 124 HA CYS 124 -31.729 -5.327 -1.202 338 H GLN 125 H GLN 125 -32.983 -7.115 -0.878 339 HA GLN 125 HA GLN 125 -34.211 -8.259 -3.291 340 H ILE 126 H ILE 126 -36.423 -8.949 -3.048 341 HA ILE 126 HA ILE 126 -37.954 -7.023 -1.526 342 HB ILE 126 HB ILE 126 -38.907 -9.203 -3.384 No H/Q in entry = 342 Start of MODEL 29 1 H ARG 7 H ARG 7 34.729 -4.446 1.338 2 HA ARG 7 HA ARG 7 33.894 -2.366 1.750 3 HE ARG 7 HE ARG 7 36.927 -2.398 2.323 4 1HH1 ARG 7 1HH1 ARG 7 39.257 -2.611 -0.256 5 1HH2 ARG 7 1HH2 ARG 7 38.465 -3.506 3.591 6 H ARG 8 H ARG 8 31.796 -3.707 1.944 7 HA ARG 8 HA ARG 8 29.842 -2.999 -0.100 8 HE ARG 8 HE ARG 8 27.423 -7.406 1.348 9 1HH1 ARG 8 1HH1 ARG 8 30.576 -8.109 0.045 10 1HH2 ARG 8 1HH2 ARG 8 27.703 -9.282 2.615 11 H CYS 9 H CYS 9 27.523 -2.663 1.127 12 HA CYS 9 HA CYS 9 27.984 -0.301 2.829 13 HA PRO 10 HA PRO 10 25.832 -2.087 6.208 14 H SER 11 H SER 11 23.620 -2.490 7.130 15 HA SER 11 HA SER 11 21.943 -3.619 5.274 16 HG SER 11 HG SER 11 22.286 -3.139 8.933 17 HA PRO 12 HA PRO 12 20.328 0.230 3.512 18 H ARG 13 H ARG 13 18.203 1.127 3.289 19 HA ARG 13 HA ARG 13 16.468 0.651 5.377 20 HE ARG 13 HE ARG 13 15.973 5.017 6.198 21 1HH1 ARG 13 1HH1 ARG 13 19.143 3.593 6.397 22 1HH2 ARG 13 1HH2 ARG 13 16.837 6.729 7.433 23 H ASP 14 H ASP 14 14.019 0.108 4.935 24 HA ASP 14 HA ASP 14 13.820 -2.266 3.233 25 H ILE 15 H ILE 15 12.375 0.578 4.287 26 HA ILE 15 HA ILE 15 10.323 1.506 4.136 27 HB ILE 15 HB ILE 15 10.759 0.897 1.724 28 H ASP 16 H ASP 16 7.934 1.138 4.378 29 HA ASP 16 HA ASP 16 7.562 -1.146 6.182 30 H ASN 17 H ASN 17 5.632 0.712 3.814 31 HA ASN 17 HA ASN 17 3.843 -1.579 3.547 32 H GLY 18 H GLY 18 6.548 -1.690 2.496 33 H GLN 19 H GLN 19 8.071 -3.302 -1.291 34 HA GLN 19 HA GLN 19 9.857 -4.519 0.687 35 H LEU 20 H LEU 20 11.973 -4.586 0.086 36 HA LEU 20 HA LEU 20 12.687 -3.063 -2.260 37 HG LEU 20 HG LEU 20 14.008 -1.328 -0.970 38 H ASP 21 H ASP 21 14.377 -3.709 -3.687 39 HA ASP 21 HA ASP 21 14.621 -6.619 -4.070 40 H ILE 22 H ILE 22 16.567 -6.484 -2.860 41 HA ILE 22 HA ILE 22 18.664 -4.702 -3.633 42 HB ILE 22 HB ILE 22 19.156 -7.117 -1.942 43 H GLY 23 H GLY 23 19.650 -4.947 -5.503 44 H GLY 24 H GLY 24 21.735 -5.657 -4.361 45 H VAL 25 H VAL 25 25.295 -5.349 -2.720 46 HA VAL 25 HA VAL 25 24.225 -2.802 -1.778 47 HB VAL 25 HB VAL 25 24.695 -5.386 -0.526 48 H ASP 26 H ASP 26 26.810 -3.924 -3.376 49 HA ASP 26 HA ASP 26 28.959 -2.928 -1.793 50 H PHE 27 H PHE 27 30.315 -1.135 -2.269 51 HA PHE 27 HA PHE 27 29.035 1.291 -2.621 52 HD1 PHE 27 HD1 PHE 27 29.420 3.249 -3.031 53 HD2 PHE 27 HD2 PHE 27 33.584 2.363 -3.041 54 HE1 PHE 27 HE1 PHE 27 29.916 5.595 -3.583 55 HE2 PHE 27 HE2 PHE 27 34.085 4.706 -3.594 56 HZ PHE 27 HZ PHE 27 32.251 6.323 -3.869 57 H GLY 28 H GLY 28 27.729 1.437 -4.393 58 H SER 29 H SER 29 26.507 0.140 -5.138 59 HA SER 29 HA SER 29 25.233 -0.968 -7.529 60 HG SER 29 HG SER 29 25.352 -2.379 -3.766 61 H SER 30 H SER 30 22.728 -1.507 -6.766 62 HA SER 30 HA SER 30 21.513 0.761 -5.491 63 HG SER 30 HG SER 30 21.378 -0.601 -8.759 64 H ILE 31 H ILE 31 19.398 0.419 -4.862 65 HA ILE 31 HA ILE 31 18.488 -2.368 -5.117 66 HB ILE 31 HB ILE 31 17.198 -0.646 -3.091 67 H THR 32 H THR 32 15.989 -2.536 -4.844 68 HA THR 32 HA THR 32 14.691 -0.393 -6.378 69 HB THR 32 HB THR 32 13.702 -3.137 -6.850 70 HG1 THR 32 HG1 THR 32 15.991 -3.391 -6.946 71 H TYR 33 H TYR 33 13.097 0.472 -5.271 72 HA TYR 33 HA TYR 33 11.858 -1.076 -3.122 73 HD1 TYR 33 HD1 TYR 33 14.429 0.969 -3.172 74 HD2 TYR 33 HD2 TYR 33 11.169 1.094 -0.454 75 HE1 TYR 33 HE1 TYR 33 16.011 0.942 -1.287 76 HE2 TYR 33 HE2 TYR 33 12.740 1.079 1.446 77 HH TYR 33 HH TYR 33 16.166 0.562 0.979 78 H SER 34 H SER 34 9.758 -1.557 -2.968 79 HA SER 34 HA SER 34 7.892 -0.645 -5.002 80 HG SER 34 HG SER 34 10.021 -3.063 -5.849 81 H CYS 35 H CYS 35 5.683 -1.043 -4.441 82 HA CYS 35 HA CYS 35 5.245 -0.960 -1.617 83 H ASN 36 H ASN 36 3.457 -2.316 -0.615 84 HA ASN 36 HA ASN 36 4.196 -5.076 -0.903 85 H SER 37 H SER 37 0.868 -3.938 -0.593 86 HA SER 37 HA SER 37 0.136 -4.965 -3.190 87 HG SER 37 HG SER 37 -0.865 -7.566 -3.196 88 H GLY 38 H GLY 38 -1.274 -3.588 -3.998 89 H TYR 39 H TYR 39 -0.310 -1.552 -2.923 90 HA TYR 39 HA TYR 39 -1.079 1.095 -1.870 91 HD1 TYR 39 HD1 TYR 39 -0.676 -1.846 -0.166 92 HD2 TYR 39 HD2 TYR 39 1.022 1.881 0.966 93 HE1 TYR 39 HE1 TYR 39 -1.515 -2.168 2.124 94 HE2 TYR 39 HE2 TYR 39 0.206 1.571 3.256 95 HH TYR 39 HH TYR 39 -2.131 -0.583 4.097 96 H HIS 40 H HIS 40 0.156 2.927 -2.567 97 HA HIS 40 HA HIS 40 1.518 2.537 -5.145 98 HD1 HIS 40 HD1 HIS 40 -1.422 3.008 -6.659 99 HD2 HIS 40 HD2 HIS 40 -1.798 5.083 -3.081 100 HE1 HIS 40 HE1 HIS 40 -3.871 2.930 -6.095 101 HE2 HIS 40 HE2 HIS 40 -4.078 4.195 -3.927 102 H LEU 41 H LEU 41 3.643 2.832 -5.040 103 HA LEU 41 HA LEU 41 4.797 4.080 -2.702 104 HG LEU 41 HG LEU 41 7.415 4.221 -3.001 105 H ILE 42 H ILE 42 4.873 6.213 -2.661 106 HA ILE 42 HA ILE 42 5.119 7.705 -5.146 107 HB ILE 42 HB ILE 42 4.962 9.102 -2.523 108 H GLY 43 H GLY 43 6.697 9.234 -5.553 109 H GLU 44 H GLU 44 10.938 8.436 -4.128 110 HA GLU 44 HA GLU 44 11.662 7.546 -6.787 111 H SER 45 H SER 45 12.991 5.265 -6.507 112 HA SER 45 HA SER 45 11.527 3.281 -5.021 113 HG SER 45 HG SER 45 12.188 3.401 -8.640 114 H LYS 46 H LYS 46 14.327 4.312 -5.533 115 HA LYS 46 HA LYS 46 15.591 1.728 -5.665 116 H SER 47 H SER 47 17.168 1.734 -4.206 117 HA SER 47 HA SER 47 18.258 4.261 -3.221 118 HG SER 47 HG SER 47 19.371 3.987 -1.240 119 H TYR 48 H TYR 48 20.477 4.781 -3.272 120 HA TYR 48 HA TYR 48 22.041 2.916 -4.960 121 HD1 TYR 48 HD1 TYR 48 20.321 3.534 -6.587 122 HD2 TYR 48 HD2 TYR 48 21.519 7.542 -5.850 123 HE1 TYR 48 HE1 TYR 48 18.293 4.335 -7.710 124 HE2 TYR 48 HE2 TYR 48 19.485 8.366 -6.960 125 HH TYR 48 HH TYR 48 16.872 6.318 -7.760 126 H CYS 49 H CYS 49 23.577 1.978 -3.942 127 HA CYS 49 HA CYS 49 24.535 2.810 -1.400 128 H GLU 50 H GLU 50 25.483 4.788 -1.474 129 HA GLU 50 HA GLU 50 27.919 5.012 -3.118 130 H LEU 51 H LEU 51 29.009 7.271 -2.014 131 HA LEU 51 HA LEU 51 29.680 6.321 0.677 132 HG LEU 51 HG LEU 51 30.736 9.312 -1.018 133 H GLY 52 H GLY 52 29.662 7.655 2.429 134 H SER 53 H SER 53 28.671 11.369 4.495 135 HA SER 53 HA SER 53 30.149 12.542 5.797 136 HG SER 53 HG SER 53 30.528 11.491 8.335 137 H THR 54 H THR 54 30.982 12.191 2.999 138 HA THR 54 HA THR 54 32.740 12.789 1.690 139 HB THR 54 HB THR 54 34.370 14.183 2.570 140 HG1 THR 54 HG1 THR 54 35.479 12.873 3.921 141 H GLY 55 H GLY 55 32.506 10.024 3.009 142 H SER 56 H SER 56 32.482 8.722 4.457 143 HA SER 56 HA SER 56 32.691 5.939 4.994 144 HG SER 56 HG SER 56 29.773 6.230 6.971 145 H MET 57 H MET 57 30.331 4.785 5.057 146 HA MET 57 HA MET 57 29.523 4.653 2.256 147 H VAL 58 H VAL 58 27.311 4.556 1.722 148 HA VAL 58 HA VAL 58 25.284 5.016 3.696 149 HB VAL 58 HB VAL 58 24.586 7.213 2.485 150 H TRP 59 H TRP 59 23.159 5.698 2.485 151 HA TRP 59 HA TRP 59 23.057 4.257 -0.077 152 HD1 TRP 59 HD1 TRP 59 23.021 2.201 3.406 153 HE1 TRP 59 HE1 TRP 59 23.753 -0.170 2.719 154 HE3 TRP 59 HE3 TRP 59 21.169 2.127 -1.362 155 HZ2 TRP 59 HZ2 TRP 59 23.586 -1.833 0.448 156 HZ3 TRP 59 HZ3 TRP 59 21.500 0.107 -2.725 157 HH2 TRP 59 HH2 TRP 59 22.665 -1.829 -1.834 158 H ASN 60 H ASN 60 22.321 5.479 -1.657 159 HA ASN 60 HA ASN 60 21.129 8.031 -1.251 160 HA PRO 61 HA PRO 61 16.681 8.128 -1.303 161 H GLU 62 H GLU 62 16.657 6.247 -0.007 162 HA GLU 62 HA GLU 62 16.449 3.671 -1.320 163 H ALA 63 H ALA 63 14.583 4.884 1.434 164 HA ALA 63 HA ALA 63 12.326 3.339 0.526 165 HA PRO 64 HA PRO 64 10.731 7.453 -1.006 166 H ILE 65 H ILE 65 7.971 7.303 -1.512 167 HA ILE 65 HA ILE 65 6.939 6.955 1.208 168 HB ILE 65 HB ILE 65 5.198 8.204 -0.813 169 H CYS 66 H CYS 66 4.423 6.495 1.098 170 HA CYS 66 HA CYS 66 3.475 4.761 -0.912 171 H GLU 67 H GLU 67 1.305 4.641 -0.782 172 HA GLU 67 HA GLU 67 0.036 5.081 1.818 173 H SER 68 H SER 68 -1.184 3.374 2.160 174 HA SER 68 HA SER 68 -1.988 1.490 0.311 175 HG SER 68 HG SER 68 -4.071 2.552 3.438 176 H VAL 69 H VAL 69 -3.444 1.429 -1.235 177 HA VAL 69 HA VAL 69 -4.809 3.474 -2.309 178 HB VAL 69 HB VAL 69 -6.498 1.759 -3.148 179 H LYS 70 H LYS 70 -5.822 4.907 -0.979 180 HA LYS 70 HA LYS 70 -7.701 4.140 1.028 181 H CYS 71 H CYS 71 -9.661 3.347 0.602 182 HA CYS 71 HA CYS 71 -11.015 4.071 -1.887 183 H GLN 72 H GLN 72 -12.458 5.624 -1.952 184 HA GLN 72 HA GLN 72 -13.254 7.028 0.379 185 H SER 73 H SER 73 -16.012 7.535 -0.233 186 HA SER 73 HA SER 73 -17.249 5.639 1.351 187 HG SER 73 HG SER 73 -19.682 7.567 1.667 188 HA PRO 74 HA PRO 74 -17.778 2.106 -1.247 189 HA PRO 75 HA PRO 75 -20.192 2.850 -4.845 190 H SER 76 H SER 76 -22.249 3.540 -5.533 191 HA SER 76 HA SER 76 -24.110 4.114 -3.326 192 HG SER 76 HG SER 76 -24.603 7.324 -4.305 193 H ILE 77 H ILE 77 -25.311 2.213 -3.493 194 HA ILE 77 HA ILE 77 -26.385 1.253 -5.936 195 HB ILE 77 HB ILE 77 -27.762 -0.220 -4.600 196 H SER 78 H SER 78 -28.925 0.868 -5.928 197 HA SER 78 HA SER 78 -30.093 3.554 -5.879 198 HG SER 78 HG SER 78 -30.337 2.748 -9.004 199 H ASN 79 H ASN 79 -31.974 4.034 -4.815 200 HA ASN 79 HA ASN 79 -33.529 3.933 -3.165 201 H GLY 80 H GLY 80 -30.699 3.474 -2.513 202 H ARG 81 H ARG 81 -28.581 2.094 1.024 203 HA ARG 81 HA ARG 81 -26.633 3.875 -0.094 204 HE ARG 81 HE ARG 81 -30.633 4.895 4.003 205 1HH1 ARG 81 1HH1 ARG 81 -29.608 8.222 3.900 206 1HH2 ARG 81 1HH2 ARG 81 -32.335 5.628 5.336 207 H HIS 82 H HIS 82 -24.846 4.157 1.796 208 HA HIS 82 HA HIS 82 -24.279 1.410 2.678 209 HD1 HIS 82 HD1 HIS 82 -22.599 4.327 -0.161 210 HD2 HIS 82 HD2 HIS 82 -21.762 4.879 3.872 211 HE1 HIS 82 HE1 HIS 82 -21.946 6.745 0.066 212 HE2 HIS 82 HE2 HIS 82 -21.443 7.057 2.515 213 H ASN 83 H ASN 83 -22.740 1.365 4.635 214 HA ASN 83 HA ASN 83 -23.813 3.216 6.651 215 H GLY 84 H GLY 84 -20.980 1.248 7.299 216 H TYR 85 H TYR 85 -19.809 5.088 7.146 217 HA TYR 85 HA TYR 85 -20.390 6.837 8.458 218 HD1 TYR 85 HD1 TYR 85 -21.889 5.263 8.370 219 HD2 TYR 85 HD2 TYR 85 -21.057 4.600 12.489 220 HE1 TYR 85 HE1 TYR 85 -23.935 3.925 8.559 221 HE2 TYR 85 HE2 TYR 85 -23.107 3.259 12.691 222 HH TYR 85 HH TYR 85 -25.465 3.110 10.153 223 H GLU 86 H GLU 86 -17.652 5.702 7.372 224 HA GLU 86 HA GLU 86 -15.963 7.689 8.673 225 H ASP 87 H ASP 87 -14.129 8.265 6.829 226 HA ASP 87 HA ASP 87 -15.691 9.456 4.640 227 H PHE 88 H PHE 88 -13.012 7.454 5.471 228 HA PHE 88 HA PHE 88 -12.653 6.783 2.666 229 HD1 PHE 88 HD1 PHE 88 -10.301 7.042 0.913 230 HD2 PHE 88 HD2 PHE 88 -11.221 10.179 3.631 231 HE1 PHE 88 HE1 PHE 88 -10.201 8.658 -0.929 232 HE2 PHE 88 HE2 PHE 88 -11.121 11.808 1.792 233 HZ PHE 88 HZ PHE 88 -10.610 11.050 -0.497 234 H TYR 89 H TYR 89 -11.219 4.824 2.444 235 HA TYR 89 HA TYR 89 -11.173 3.115 4.806 236 HD1 TYR 89 HD1 TYR 89 -13.957 4.478 2.607 237 HD2 TYR 89 HD2 TYR 89 -13.919 1.230 5.356 238 HE1 TYR 89 HE1 TYR 89 -16.074 5.282 3.576 239 HE2 TYR 89 HE2 TYR 89 -16.038 2.025 6.330 240 HH TYR 89 HH TYR 89 -17.454 5.089 5.398 241 H THR 90 H THR 90 -10.030 1.014 4.331 242 HA THR 90 HA THR 90 -8.009 1.392 2.220 243 HB THR 90 HB THR 90 -6.403 0.278 3.890 244 HG1 THR 90 HG1 THR 90 -7.223 -0.188 5.745 245 H ASP 91 H ASP 91 -6.613 -0.738 2.120 246 HA ASP 91 HA ASP 91 -8.276 -2.740 1.086 247 H GLY 92 H GLY 92 -9.716 -3.529 2.489 248 H SER 93 H SER 93 -11.102 -2.854 3.638 249 HA SER 93 HA SER 93 -12.231 -2.753 6.342 250 HG SER 93 HG SER 93 -10.487 -0.727 5.345 251 H VAL 94 H VAL 94 -14.583 -2.536 6.575 252 HA VAL 94 HA VAL 94 -16.089 -3.770 4.383 253 HB VAL 94 HB VAL 94 -16.132 -4.675 7.263 254 H VAL 95 H VAL 95 -18.246 -3.204 4.246 255 HA VAL 95 HA VAL 95 -19.315 -1.309 6.207 256 HB VAL 95 HB VAL 95 -19.385 -0.747 3.247 257 H THR 96 H THR 96 -21.567 -1.214 6.280 258 HA THR 96 HA THR 96 -22.908 -3.418 4.872 259 HB THR 96 HB THR 96 -24.592 -2.478 6.917 260 HG1 THR 96 HG1 THR 96 -21.943 -2.819 7.867 261 H TYR 97 H TYR 97 -24.512 -3.017 3.494 262 HA TYR 97 HA TYR 97 -25.196 -0.241 2.976 263 HD1 TYR 97 HD1 TYR 97 -22.879 -1.699 1.890 264 HD2 TYR 97 HD2 TYR 97 -25.873 -0.368 -0.823 265 HE1 TYR 97 HE1 TYR 97 -21.146 -0.679 0.491 266 HE2 TYR 97 HE2 TYR 97 -24.141 0.651 -2.239 267 HH TYR 97 HH TYR 97 -21.135 -0.062 -2.268 268 H SER 98 H SER 98 -27.381 0.461 2.685 269 HA SER 98 HA SER 98 -29.481 -1.192 3.841 270 HG SER 98 HG SER 98 -30.271 2.049 5.347 271 H CYS 99 H CYS 99 -31.458 -0.776 3.016 272 HA CYS 99 HA CYS 99 -31.677 0.951 0.768 273 H ASN 100 H ASN 100 -33.267 2.689 0.523 274 HA ASN 100 HA ASN 100 -33.246 4.417 2.864 275 H SER 101 H SER 101 -35.715 4.108 0.324 276 HA SER 101 HA SER 101 -37.853 4.865 1.925 277 HG SER 101 HG SER 101 -39.851 4.702 -0.756 278 H GLY 102 H GLY 102 -36.224 1.830 1.726 279 H TYR 103 H TYR 103 -35.933 0.091 0.913 280 HA TYR 103 HA TYR 103 -37.400 -2.091 -0.155 281 HD1 TYR 103 HD1 TYR 103 -36.107 1.261 -1.131 282 HD2 TYR 103 HD2 TYR 103 -36.924 -2.314 -3.290 283 HE1 TYR 103 HE1 TYR 103 -37.438 2.549 -2.749 284 HE2 TYR 103 HE2 TYR 103 -38.257 -1.037 -4.913 285 HH TYR 103 HH TYR 103 -38.291 2.425 -4.948 286 H SER 104 H SER 104 -35.630 -3.999 -0.885 287 HA SER 104 HA SER 104 -34.864 -5.164 1.695 288 HG SER 104 HG SER 104 -37.353 -6.698 1.078 289 H LEU 105 H LEU 105 -32.767 -4.930 2.026 290 HA LEU 105 HA LEU 105 -30.730 -4.482 0.240 291 HG LEU 105 HG LEU 105 -28.981 -3.961 3.321 292 H ILE 106 H ILE 106 -30.375 -5.621 -1.537 293 HA ILE 106 HA ILE 106 -30.799 -8.477 -1.612 294 HB ILE 106 HB ILE 106 -29.832 -6.586 -3.751 295 H GLY 107 H GLY 107 -29.169 -9.952 -2.446 296 H ASN 108 H ASN 108 -24.936 -8.867 -1.273 297 HA ASN 108 HA ASN 108 -25.450 -9.500 1.559 298 H SER 109 H SER 109 -25.384 -7.872 2.984 299 HA SER 109 HA SER 109 -25.319 -5.185 2.064 300 HG SER 109 HG SER 109 -26.359 -6.965 5.384 301 H GLY 110 H GLY 110 -23.020 -7.348 3.483 302 H VAL 111 H VAL 111 -19.567 -4.392 3.119 303 HA VAL 111 HA VAL 111 -18.954 -5.387 0.414 304 HB VAL 111 HB VAL 111 -18.797 -2.488 1.099 305 H LEU 112 H LEU 112 -16.892 -5.963 0.193 306 HA LEU 112 HA LEU 112 -14.986 -5.298 2.246 307 HG LEU 112 HG LEU 112 -12.579 -5.924 0.210 308 H CYS 113 H CYS 113 -13.713 -3.595 2.259 309 HA CYS 113 HA CYS 113 -13.359 -1.992 -0.138 310 H SER 114 H SER 114 -11.880 -2.795 -1.514 311 HA SER 114 HA SER 114 -9.193 -3.293 -0.524 312 HG SER 114 HG SER 114 -9.360 -6.581 -0.281 313 H GLY 115 H GLY 115 -7.606 -3.477 -2.237 314 H GLY 116 H GLY 116 -8.239 -0.657 -2.514 315 H GLU 117 H GLU 117 -10.555 -0.923 -3.785 316 HA GLU 117 HA GLU 117 -12.763 0.754 -4.726 317 H TRP 118 H TRP 118 -14.788 -0.858 -4.915 318 HA TRP 118 HA TRP 118 -14.868 -2.348 -2.379 319 HD1 TRP 118 HD1 TRP 118 -15.612 1.575 -3.240 320 HE1 TRP 118 HE1 TRP 118 -15.081 2.846 -1.068 321 HE3 TRP 118 HE3 TRP 118 -16.799 -2.070 0.145 322 HZ2 TRP 118 HZ2 TRP 118 -15.162 2.373 1.709 323 HZ3 TRP 118 HZ3 TRP 118 -16.538 -1.579 2.541 324 HH2 TRP 118 HH2 TRP 118 -15.736 0.601 3.305 325 H SER 119 H SER 119 -15.848 -4.339 -2.342 326 HA SER 119 HA SER 119 -16.873 -5.355 -4.904 327 HG SER 119 HG SER 119 -13.888 -6.744 -2.742 328 H ASP 120 H ASP 120 -18.427 -6.992 -4.805 329 HA ASP 120 HA ASP 120 -20.166 -8.194 -3.979 330 HA PRO 121 HA PRO 121 -22.046 -4.186 -2.315 331 HA PRO 122 HA PRO 122 -25.919 -6.289 -2.987 332 H THR 123 H THR 123 -28.338 -5.507 -2.840 333 HA THR 123 HA THR 123 -28.709 -3.064 -4.427 334 HB THR 123 HB THR 123 -30.566 -5.178 -5.187 335 HG1 THR 123 HG1 THR 123 -29.199 -6.597 -6.016 336 H CYS 124 H CYS 124 -31.310 -2.853 -4.665 337 HA CYS 124 HA CYS 124 -32.524 -3.508 -2.087 338 H GLN 125 H GLN 125 -34.009 -4.868 -2.924 339 HA GLN 125 HA GLN 125 -35.916 -3.704 -4.835 340 H ILE 126 H ILE 126 -38.087 -4.429 -4.656 341 HA ILE 126 HA ILE 126 -38.891 -4.829 -1.906 342 HB ILE 126 HB ILE 126 -40.553 -4.444 -4.395 No H/Q in entry = 342 Start of MODEL 30 1 H ARG 7 H ARG 7 34.588 -2.938 3.208 2 HA ARG 7 HA ARG 7 33.275 -2.846 5.789 3 HE ARG 7 HE ARG 7 35.573 -2.740 6.878 4 1HH1 ARG 7 1HH1 ARG 7 38.207 -0.462 6.807 5 1HH2 ARG 7 1HH2 ARG 7 37.005 -4.118 7.995 6 H ARG 8 H ARG 8 31.142 -2.216 6.145 7 HA ARG 8 HA ARG 8 29.261 -3.189 4.237 8 HE ARG 8 HE ARG 8 28.879 -6.131 6.951 9 1HH1 ARG 8 1HH1 ARG 8 26.205 -5.378 9.049 10 1HH2 ARG 8 1HH2 ARG 8 28.398 -8.318 7.385 11 H CYS 9 H CYS 9 27.190 -1.742 3.907 12 HA CYS 9 HA CYS 9 28.076 0.552 2.384 13 HA PRO 10 HA PRO 10 26.918 3.707 5.231 14 H SER 11 H SER 11 25.021 4.984 6.069 15 HA SER 11 HA SER 11 22.904 3.339 6.639 16 HG SER 11 HG SER 11 24.384 6.462 7.313 17 HA PRO 12 HA PRO 12 20.782 3.248 2.676 18 H ARG 13 H ARG 13 18.902 4.191 1.751 19 HA ARG 13 HA ARG 13 18.152 6.678 2.886 20 HE ARG 13 HE ARG 13 18.127 8.633 -2.371 21 1HH1 ARG 13 1HH1 ARG 13 17.436 9.759 0.851 22 1HH2 ARG 13 1HH2 ARG 13 19.155 10.644 -2.682 23 H ASP 14 H ASP 14 15.665 7.204 2.936 24 HA ASP 14 HA ASP 14 14.315 5.070 4.438 25 H ILE 15 H ILE 15 11.976 6.196 5.036 26 HA ILE 15 HA ILE 15 10.829 7.362 2.619 27 HB ILE 15 HB ILE 15 10.656 4.931 2.284 28 H ASP 16 H ASP 16 8.788 8.359 2.960 29 HA ASP 16 HA ASP 16 8.451 9.321 5.645 30 H ASN 17 H ASN 17 5.966 8.117 3.393 31 HA ASN 17 HA ASN 17 4.431 7.177 5.678 32 H GLY 18 H GLY 18 6.754 5.734 5.313 33 H GLN 19 H GLN 19 7.691 1.475 4.938 34 HA GLN 19 HA GLN 19 9.504 2.284 7.073 35 H LEU 20 H LEU 20 11.476 1.353 6.886 36 HA LEU 20 HA LEU 20 11.946 -0.289 4.560 37 HG LEU 20 HG LEU 20 13.224 2.461 6.568 38 H ASP 21 H ASP 21 13.170 -2.239 4.596 39 HA ASP 21 HA ASP 21 13.027 -3.760 7.108 40 H ILE 22 H ILE 22 15.250 -2.915 7.177 41 HA ILE 22 HA ILE 22 17.133 -3.811 5.206 42 HB ILE 22 HB ILE 22 18.062 -2.799 7.844 43 H GLY 23 H GLY 23 17.250 -6.012 5.164 44 H GLY 24 H GLY 24 19.696 -5.573 6.010 45 H VAL 25 H VAL 25 23.884 -5.388 5.934 46 HA VAL 25 HA VAL 25 23.261 -3.294 3.971 47 HB VAL 25 HB VAL 25 24.553 -1.674 5.423 48 H ASP 26 H ASP 26 24.822 -5.723 3.737 49 HA ASP 26 HA ASP 26 27.556 -4.672 3.539 50 H PHE 27 H PHE 27 28.805 -5.081 1.623 51 HA PHE 27 HA PHE 27 27.634 -4.264 -0.734 52 HD1 PHE 27 HD1 PHE 27 27.982 -4.038 -2.673 53 HD2 PHE 27 HD2 PHE 27 31.728 -6.002 -2.189 54 HE1 PHE 27 HE1 PHE 27 28.355 -3.919 -5.102 55 HE2 PHE 27 HE2 PHE 27 32.106 -5.887 -4.617 56 HZ PHE 27 HZ PHE 27 30.419 -4.843 -6.077 57 H GLY 28 H GLY 28 25.738 -5.371 -1.176 58 H SER 29 H SER 29 24.627 -6.381 0.284 59 HA SER 29 HA SER 29 22.466 -8.184 0.720 60 HG SER 29 HG SER 29 23.435 -4.785 2.595 61 H SER 30 H SER 30 20.242 -7.074 1.349 62 HA SER 30 HA SER 30 19.488 -5.013 -0.555 63 HG SER 30 HG SER 30 17.734 -8.545 -0.478 64 H ILE 31 H ILE 31 17.698 -3.850 0.038 65 HA ILE 31 HA ILE 31 16.629 -4.457 2.710 66 HB ILE 31 HB ILE 31 15.997 -1.826 1.544 67 H THR 32 H THR 32 14.306 -3.583 3.018 68 HA THR 32 HA THR 32 12.698 -4.032 0.609 69 HB THR 32 HB THR 32 11.566 -5.141 3.100 70 HG1 THR 32 HG1 THR 32 12.815 -7.054 2.888 71 H TYR 33 H TYR 33 11.653 -2.205 0.300 72 HA TYR 33 HA TYR 33 10.881 -0.515 2.518 73 HD1 TYR 33 HD1 TYR 33 13.413 -0.302 0.018 74 HD2 TYR 33 HD2 TYR 33 10.846 2.649 1.695 75 HE1 TYR 33 HE1 TYR 33 15.372 1.101 0.549 76 HE2 TYR 33 HE2 TYR 33 12.790 4.055 2.228 77 HH TYR 33 HH TYR 33 15.096 4.362 1.501 78 H SER 34 H SER 34 8.824 0.014 3.128 79 HA SER 34 HA SER 34 6.563 -1.175 1.725 80 HG SER 34 HG SER 34 6.050 -3.711 2.985 81 H CYS 35 H CYS 35 4.450 -0.449 2.779 82 HA CYS 35 HA CYS 35 4.671 2.396 3.308 83 H ASN 36 H ASN 36 3.212 3.345 5.014 84 HA ASN 36 HA ASN 36 3.909 2.271 7.538 85 H SER 37 H SER 37 0.569 3.167 6.813 86 HA SER 37 HA SER 37 -0.377 0.463 7.210 87 HG SER 37 HG SER 37 -0.817 -0.302 9.382 88 H GLY 38 H GLY 38 -2.175 0.116 6.069 89 H TYR 39 H TYR 39 -1.277 1.493 4.078 90 HA TYR 39 HA TYR 39 -2.108 3.392 1.984 91 HD1 TYR 39 HD1 TYR 39 -2.265 4.417 4.129 92 HD2 TYR 39 HD2 TYR 39 1.399 5.764 2.443 93 HE1 TYR 39 HE1 TYR 39 -2.740 6.690 4.934 94 HE2 TYR 39 HE2 TYR 39 0.936 8.044 3.243 95 HH TYR 39 HH TYR 39 -1.304 9.367 3.836 96 H HIS 40 H HIS 40 -0.422 3.210 0.054 97 HA HIS 40 HA HIS 40 0.124 0.403 -0.544 98 HD1 HIS 40 HD1 HIS 40 -1.543 1.634 -4.774 99 HD2 HIS 40 HD2 HIS 40 -1.321 4.185 -1.505 100 HE1 HIS 40 HE1 HIS 40 -1.831 3.950 -5.709 101 HE2 HIS 40 HE2 HIS 40 -1.693 5.480 -3.712 102 H LEU 41 H LEU 41 2.193 0.310 -0.932 103 HA LEU 41 HA LEU 41 3.718 2.598 -1.732 104 HG LEU 41 HG LEU 41 6.207 1.966 -2.079 105 H ILE 42 H ILE 42 4.043 3.240 -3.754 106 HA ILE 42 HA ILE 42 3.508 1.360 -5.934 107 HB ILE 42 HB ILE 42 4.133 4.229 -6.459 108 H GLY 43 H GLY 43 4.959 1.139 -7.698 109 H GLU 44 H GLU 44 9.441 1.036 -6.781 110 HA GLU 44 HA GLU 44 9.284 -1.847 -6.481 111 H SER 45 H SER 45 10.660 -2.546 -4.460 112 HA SER 45 HA SER 45 10.019 -1.106 -2.038 113 HG SER 45 HG SER 45 8.363 -4.755 -2.562 114 H LYS 46 H LYS 46 12.356 -2.179 -3.611 115 HA LYS 46 HA LYS 46 13.677 -3.371 -1.317 116 H SER 47 H SER 47 15.652 -2.632 -1.073 117 HA SER 47 HA SER 47 16.965 -1.282 -3.335 118 HG SER 47 HG SER 47 15.548 -0.559 -0.473 119 H TYR 48 H TYR 48 19.223 -1.605 -3.665 120 HA TYR 48 HA TYR 48 20.177 -4.066 -2.319 121 HD1 TYR 48 HD1 TYR 48 18.224 -5.310 -3.337 122 HD2 TYR 48 HD2 TYR 48 19.517 -3.398 -6.901 123 HE1 TYR 48 HE1 TYR 48 15.993 -5.649 -4.324 124 HE2 TYR 48 HE2 TYR 48 17.295 -3.715 -7.898 125 HH TYR 48 HH TYR 48 14.868 -4.037 -6.926 126 H CYS 49 H CYS 49 21.988 -3.904 -1.309 127 HA CYS 49 HA CYS 49 23.629 -1.575 -1.457 128 H GLU 50 H GLU 50 24.683 -1.261 -3.332 129 HA GLU 50 HA GLU 50 26.488 -3.411 -4.214 130 H LEU 51 H LEU 51 27.965 -2.280 -6.075 131 HA LEU 51 HA LEU 51 29.512 -0.357 -4.584 132 HG LEU 51 HG LEU 51 30.838 -2.515 -4.622 133 H GLY 52 H GLY 52 30.321 1.625 -5.496 134 H SER 53 H SER 53 29.842 5.033 -8.101 135 HA SER 53 HA SER 53 30.184 3.673 -10.629 136 HG SER 53 HG SER 53 28.263 6.245 -10.880 137 H THR 54 H THR 54 32.190 5.122 -8.155 138 HA THR 54 HA THR 54 34.583 4.517 -9.757 139 HB THR 54 HB THR 54 35.747 6.000 -8.057 140 HG1 THR 54 HG1 THR 54 34.347 6.120 -6.394 141 H GLY 55 H GLY 55 32.922 2.637 -8.121 142 H SER 56 H SER 56 32.325 3.164 -5.882 143 HA SER 56 HA SER 56 33.152 2.999 -3.088 144 HG SER 56 HG SER 56 32.340 6.248 -2.724 145 H MET 57 H MET 57 30.747 3.585 -1.831 146 HA MET 57 HA MET 57 29.273 1.066 -2.210 147 H VAL 58 H VAL 58 27.186 1.139 -2.741 148 HA VAL 58 HA VAL 58 25.635 3.558 -2.228 149 HB VAL 58 HB VAL 58 24.718 3.556 -4.515 150 H TRP 59 H TRP 59 23.281 3.120 -3.109 151 HA TRP 59 HA TRP 59 22.533 0.346 -2.469 152 HD1 TRP 59 HD1 TRP 59 23.380 2.966 0.512 153 HE1 TRP 59 HE1 TRP 59 23.895 1.473 2.548 154 HE3 TRP 59 HE3 TRP 59 20.374 -1.012 -0.620 155 HZ2 TRP 59 HZ2 TRP 59 23.134 -1.065 3.528 156 HZ3 TRP 59 HZ3 TRP 59 20.332 -2.932 0.920 157 HH2 TRP 59 HH2 TRP 59 21.677 -2.952 2.939 158 H ASN 60 H ASN 60 21.168 -0.555 -3.898 159 HA ASN 60 HA ASN 60 20.208 0.928 -6.146 160 HA PRO 61 HA PRO 61 16.183 2.560 -5.743 161 H GLU 62 H GLU 62 15.891 3.361 -3.862 162 HA GLU 62 HA GLU 62 15.540 1.610 -1.554 163 H ALA 63 H ALA 63 14.487 4.924 -1.414 164 HA ALA 63 HA ALA 63 11.951 4.114 -0.394 165 HA PRO 64 HA PRO 64 9.975 4.522 -4.457 166 H ILE 65 H ILE 65 7.127 4.211 -4.458 167 HA ILE 65 HA ILE 65 6.380 6.720 -3.194 168 HB ILE 65 HB ILE 65 4.475 5.042 -4.749 169 H CYS 66 H CYS 66 4.261 6.855 -2.079 170 HA CYS 66 HA CYS 66 3.038 4.557 -0.971 171 H GLU 67 H GLU 67 1.005 5.128 -0.575 172 HA GLU 67 HA GLU 67 0.379 7.685 0.641 173 H SER 68 H SER 68 -2.132 7.871 0.783 174 HA SER 68 HA SER 68 -3.064 5.403 1.974 175 HG SER 68 HG SER 68 -5.666 8.310 1.739 176 H VAL 69 H VAL 69 -3.467 3.976 0.362 177 HA VAL 69 HA VAL 69 -4.510 4.335 -2.107 178 HB VAL 69 HB VAL 69 -3.587 2.250 -1.371 179 H LYS 70 H LYS 70 -6.169 5.632 -2.458 180 HA LYS 70 HA LYS 70 -8.420 5.898 -0.778 181 H CYS 71 H CYS 71 -10.634 5.511 -1.290 182 HA CYS 71 HA CYS 71 -11.153 3.341 -3.197 183 H GLN 72 H GLN 72 -12.517 4.082 -4.647 184 HA GLN 72 HA GLN 72 -14.054 6.429 -4.249 185 H SER 73 H SER 73 -16.466 5.853 -5.526 186 HA SER 73 HA SER 73 -18.186 5.338 -3.481 187 HG SER 73 HG SER 73 -20.205 4.056 -6.421 188 HA PRO 74 HA PRO 74 -17.821 1.054 -2.500 189 HA PRO 75 HA PRO 75 -19.987 -1.075 -5.847 190 H SER 76 H SER 76 -19.673 -3.694 -6.343 191 HA SER 76 HA SER 76 -19.870 -5.876 -5.734 192 HG SER 76 HG SER 76 -21.686 -6.016 -2.438 193 H ILE 77 H ILE 77 -22.655 -4.253 -4.150 194 HA ILE 77 HA ILE 77 -24.309 -6.381 -5.024 195 HB ILE 77 HB ILE 77 -25.894 -5.688 -3.610 196 H SER 78 H SER 78 -26.560 -5.781 -5.781 197 HA SER 78 HA SER 78 -26.565 -3.922 -8.021 198 HG SER 78 HG SER 78 -25.163 -5.953 -9.523 199 H ASN 79 H ASN 79 -28.633 -3.088 -8.408 200 HA ASN 79 HA ASN 79 -30.835 -2.633 -8.050 201 H GLY 80 H GLY 80 -28.516 -1.915 -6.287 202 H ARG 81 H ARG 81 -28.061 0.275 -2.662 203 HA ARG 81 HA ARG 81 -26.167 1.670 -4.282 204 HE ARG 81 HE ARG 81 -31.657 4.717 -2.903 205 1HH1 ARG 81 1HH1 ARG 81 -28.437 5.924 -3.478 206 1HH2 ARG 81 1HH2 ARG 81 -31.942 6.558 -1.595 207 H HIS 82 H HIS 82 -25.369 3.646 -2.705 208 HA HIS 82 HA HIS 82 -25.091 2.492 -0.022 209 HD1 HIS 82 HD1 HIS 82 -22.931 5.295 -2.319 210 HD2 HIS 82 HD2 HIS 82 -22.258 1.335 -3.385 211 HE1 HIS 82 HE1 HIS 82 -22.100 5.369 -4.692 212 HE2 HIS 82 HE2 HIS 82 -21.699 2.961 -5.317 213 H ASN 83 H ASN 83 -24.574 3.906 1.648 214 HA ASN 83 HA ASN 83 -25.598 6.565 1.300 215 H GLY 84 H GLY 84 -23.648 7.652 3.396 216 H TYR 85 H TYR 85 -22.373 8.486 0.026 217 HA TYR 85 HA TYR 85 -22.935 9.987 -1.506 218 HD1 TYR 85 HD1 TYR 85 -24.619 8.731 0.203 219 HD2 TYR 85 HD2 TYR 85 -25.994 12.553 -1.063 220 HE1 TYR 85 HE1 TYR 85 -26.809 7.759 -0.319 221 HE2 TYR 85 HE2 TYR 85 -28.196 11.590 -1.590 222 HH TYR 85 HH TYR 85 -29.489 9.294 -0.582 223 H GLU 86 H GLU 86 -20.294 9.640 -0.376 224 HA GLU 86 HA GLU 86 -19.140 12.269 -0.721 225 H ASP 87 H ASP 87 -16.721 11.778 -1.795 226 HA ASP 87 HA ASP 87 -17.389 10.623 -4.414 227 H PHE 88 H PHE 88 -15.258 10.500 -1.715 228 HA PHE 88 HA PHE 88 -14.037 8.111 -2.799 229 HD1 PHE 88 HD1 PHE 88 -11.093 7.558 -3.437 230 HD2 PHE 88 HD2 PHE 88 -13.068 11.095 -4.719 231 HE1 PHE 88 HE1 PHE 88 -10.391 7.104 -5.745 232 HE2 PHE 88 HE2 PHE 88 -12.372 10.653 -7.035 233 HZ PHE 88 HZ PHE 88 -11.029 8.652 -7.555 234 H TYR 89 H TYR 89 -12.707 6.988 -1.169 235 HA TYR 89 HA TYR 89 -13.312 7.707 1.597 236 HD1 TYR 89 HD1 TYR 89 -15.396 6.378 -1.229 237 HD2 TYR 89 HD2 TYR 89 -16.012 6.211 2.977 238 HE1 TYR 89 HE1 TYR 89 -17.724 7.127 -1.548 239 HE2 TYR 89 HE2 TYR 89 -18.341 6.953 2.669 240 HH TYR 89 HH TYR 89 -19.971 6.812 -0.072 241 H THR 90 H THR 90 -11.970 6.520 3.156 242 HA THR 90 HA THR 90 -9.438 5.652 1.916 243 HB THR 90 HB THR 90 -8.410 6.592 4.094 244 HG1 THR 90 HG1 THR 90 -9.607 7.959 5.239 245 H ASP 91 H ASP 91 -7.993 4.598 3.713 246 HA ASP 91 HA ASP 91 -9.181 2.145 4.374 247 H GLY 92 H GLY 92 -10.909 2.284 5.646 248 H SER 93 H SER 93 -12.483 3.378 5.568 249 HA SER 93 HA SER 93 -14.453 5.014 6.976 250 HG SER 93 HG SER 93 -12.467 4.817 4.172 251 H VAL 94 H VAL 94 -16.738 4.671 6.642 252 HA VAL 94 HA VAL 94 -17.426 1.923 5.883 253 HB VAL 94 HB VAL 94 -18.399 3.359 8.356 254 H VAL 95 H VAL 95 -19.665 1.612 5.301 255 HA VAL 95 HA VAL 95 -21.294 3.963 4.822 256 HB VAL 95 HB VAL 95 -20.414 2.268 2.487 257 H THR 96 H THR 96 -23.461 3.465 4.290 258 HA THR 96 HA THR 96 -24.182 0.667 4.820 259 HB THR 96 HB THR 96 -26.428 2.370 5.149 260 HG1 THR 96 HG1 THR 96 -25.550 3.693 6.853 261 H TYR 97 H TYR 97 -25.023 -0.423 3.202 262 HA TYR 97 HA TYR 97 -25.707 0.889 0.745 263 HD1 TYR 97 HD1 TYR 97 -23.165 -0.245 1.693 264 HD2 TYR 97 HD2 TYR 97 -25.012 -2.074 -1.671 265 HE1 TYR 97 HE1 TYR 97 -21.029 -0.156 0.478 266 HE2 TYR 97 HE2 TYR 97 -22.877 -1.994 -2.890 267 HH TYR 97 HH TYR 97 -20.135 -1.826 -1.790 268 H SER 98 H SER 98 -27.705 0.606 -0.410 269 HA SER 98 HA SER 98 -30.030 -0.206 1.163 270 HG SER 98 HG SER 98 -31.333 2.480 -0.728 271 H CYS 99 H CYS 99 -31.596 -1.140 -0.055 272 HA CYS 99 HA CYS 99 -31.077 -1.659 -2.801 273 H ASN 100 H ASN 100 -32.284 -1.070 -4.634 274 HA ASN 100 HA ASN 100 -33.609 1.528 -4.366 275 H SER 101 H SER 101 -34.199 -0.933 -6.808 276 HA SER 101 HA SER 101 -36.810 -0.566 -7.293 277 HG SER 101 HG SER 101 -37.089 -3.310 -9.064 278 H GLY 102 H GLY 102 -35.525 -2.096 -4.425 279 H TYR 103 H TYR 103 -34.928 -3.545 -3.328 280 HA TYR 103 HA TYR 103 -35.711 -6.201 -2.579 281 HD1 TYR 103 HD1 TYR 103 -34.315 -8.302 -3.870 282 HD2 TYR 103 HD2 TYR 103 -33.683 -4.441 -5.547 283 HE1 TYR 103 HE1 TYR 103 -34.754 -9.211 -6.111 284 HE2 TYR 103 HE2 TYR 103 -34.118 -5.339 -7.794 285 HH TYR 103 HH TYR 103 -35.403 -8.495 -8.296 286 H SER 104 H SER 104 -33.755 -7.127 -0.960 287 HA SER 104 HA SER 104 -34.078 -5.560 1.504 288 HG SER 104 HG SER 104 -36.243 -7.302 2.048 289 H LEU 105 H LEU 105 -32.229 -4.729 2.116 290 HA LEU 105 HA LEU 105 -29.713 -5.280 1.142 291 HG LEU 105 HG LEU 105 -29.258 -2.114 2.806 292 H ILE 106 H ILE 106 -28.924 -7.309 1.083 293 HA ILE 106 HA ILE 106 -29.053 -8.997 3.461 294 HB ILE 106 HB ILE 106 -28.087 -9.612 0.663 295 H GLY 107 H GLY 107 -27.147 -9.948 4.362 296 H ASN 108 H ASN 108 -26.702 -7.732 5.550 297 HA ASN 108 HA ASN 108 -26.662 -5.750 6.651 298 H SER 109 H SER 109 -26.525 -3.705 6.135 299 HA SER 109 HA SER 109 -25.455 -2.922 3.653 300 HG SER 109 HG SER 109 -28.402 -1.426 5.455 301 H GLY 110 H GLY 110 -24.152 -2.934 6.824 302 H VAL 111 H VAL 111 -20.625 -0.521 5.386 303 HA VAL 111 HA VAL 111 -19.159 -2.897 4.446 304 HB VAL 111 HB VAL 111 -19.265 -0.354 2.884 305 H LEU 112 H LEU 112 -16.885 -2.716 4.364 306 HA LEU 112 HA LEU 112 -15.848 -0.435 5.910 307 HG LEU 112 HG LEU 112 -12.909 -1.734 5.749 308 H CYS 113 H CYS 113 -14.792 1.006 4.768 309 HA CYS 113 HA CYS 113 -13.609 0.354 2.205 310 H SER 114 H SER 114 -11.837 -0.897 2.509 311 HA SER 114 HA SER 114 -9.608 0.305 3.979 312 HG SER 114 HG SER 114 -9.161 -1.966 6.372 313 H GLY 115 H GLY 115 -7.511 -0.607 3.411 314 H GLY 116 H GLY 116 -8.273 0.736 1.000 315 H GLU 117 H GLU 117 -9.712 -1.102 -0.260 316 HA GLU 117 HA GLU 117 -11.812 -0.830 -2.298 317 H TRP 118 H TRP 118 -13.677 -2.463 -1.594 318 HA TRP 118 HA TRP 118 -14.285 -1.794 1.200 319 HD1 TRP 118 HD1 TRP 118 -14.954 -0.238 -2.469 320 HE1 TRP 118 HE1 TRP 118 -15.202 2.306 -2.173 321 HE3 TRP 118 HE3 TRP 118 -17.019 -0.165 2.202 322 HZ2 TRP 118 HZ2 TRP 118 -16.147 4.101 -0.221 323 HZ3 TRP 118 HZ3 TRP 118 -17.569 2.010 3.215 324 HH2 TRP 118 HH2 TRP 118 -17.135 4.101 2.025 325 H SER 119 H SER 119 -15.088 -3.355 2.578 326 HA SER 119 HA SER 119 -15.048 -6.112 1.544 327 HG SER 119 HG SER 119 -12.276 -4.931 3.727 328 H ASP 120 H ASP 120 -16.233 -7.669 2.874 329 HA ASP 120 HA ASP 120 -18.259 -8.410 3.592 330 HA PRO 121 HA PRO 121 -20.680 -4.757 1.820 331 HA PRO 122 HA PRO 122 -24.267 -7.366 1.833 332 H THR 123 H THR 123 -26.549 -7.232 0.580 333 HA THR 123 HA THR 123 -26.214 -7.185 -2.302 334 HB THR 123 HB THR 123 -27.610 -9.613 -1.501 335 HG1 THR 123 HG1 THR 123 -25.864 -10.725 -0.706 336 H CYS 124 H CYS 124 -28.425 -7.707 -3.342 337 HA CYS 124 HA CYS 124 -30.539 -6.675 -1.578 338 H GLN 125 H GLN 125 -31.414 -8.667 -1.130 339 HA GLN 125 HA GLN 125 -32.569 -10.106 -3.418 340 H ILE 126 H ILE 126 -34.658 -11.089 -3.025 341 HA ILE 126 HA ILE 126 -36.346 -9.294 -1.480 342 HB ILE 126 HB ILE 126 -37.113 -11.463 -3.435 No H/Q in entry = 342 Start of MODEL 31 1 H ARG 7 H ARG 7 -33.612 3.974 1.494 2 HA ARG 7 HA ARG 7 -32.746 4.846 4.164 3 HE ARG 7 HE ARG 7 -33.471 2.418 6.947 4 1HH1 ARG 7 1HH1 ARG 7 -36.253 0.967 5.440 5 1HH2 ARG 7 1HH2 ARG 7 -33.170 0.400 7.968 6 H ARG 8 H ARG 8 -30.769 3.175 4.775 7 HA ARG 8 HA ARG 8 -28.664 3.888 2.850 8 HE ARG 8 HE ARG 8 -28.775 2.542 8.529 9 1HH1 ARG 8 1HH1 ARG 8 -26.287 4.951 8.902 10 1HH2 ARG 8 1HH2 ARG 8 -28.101 1.761 10.562 11 H CYS 9 H CYS 9 -26.794 2.361 2.775 12 HA CYS 9 HA CYS 9 -27.701 -0.263 2.093 13 HA PRO 10 HA PRO 10 -26.717 -2.239 5.960 14 H SER 11 H SER 11 -24.875 -3.286 7.305 15 HA SER 11 HA SER 11 -22.800 -1.506 7.554 16 HG SER 11 HG SER 11 -21.785 -5.063 9.024 17 HA PRO 12 HA PRO 12 -20.699 -2.211 3.604 18 H ARG 13 H ARG 13 -18.940 -3.496 2.902 19 HA ARG 13 HA ARG 13 -18.216 -5.621 4.720 20 HE ARG 13 HE ARG 13 -15.765 -9.060 1.719 21 1HH1 ARG 13 1HH1 ARG 13 -18.802 -9.538 3.357 22 1HH2 ARG 13 1HH2 ARG 13 -16.222 -11.015 0.639 23 H ASP 14 H ASP 14 -15.949 -6.347 4.848 24 HA ASP 14 HA ASP 14 -14.194 -4.034 5.134 25 H ILE 15 H ILE 15 -11.797 -5.112 5.482 26 HA ILE 15 HA ILE 15 -11.266 -6.827 3.154 27 HB ILE 15 HB ILE 15 -10.763 -4.563 2.445 28 H ASP 16 H ASP 16 -9.402 -8.134 3.325 29 HA ASP 16 HA ASP 16 -8.828 -8.925 6.007 30 H ASN 17 H ASN 17 -6.530 -8.167 3.392 31 HA ASN 17 HA ASN 17 -4.587 -7.390 5.415 32 H GLY 18 H GLY 18 -6.732 -5.636 5.218 33 H GLN 19 H GLN 19 -7.141 -1.315 4.632 34 HA GLN 19 HA GLN 19 -8.956 -1.853 6.880 35 H LEU 20 H LEU 20 -10.620 -0.035 7.080 36 HA LEU 20 HA LEU 20 -11.402 0.840 4.377 37 HG LEU 20 HG LEU 20 -13.913 -1.859 5.403 38 H ASP 21 H ASP 21 -12.671 2.769 4.237 39 HA ASP 21 HA ASP 21 -12.416 4.578 6.542 40 H ILE 22 H ILE 22 -14.641 3.840 6.866 41 HA ILE 22 HA ILE 22 -16.668 4.315 4.960 42 HB ILE 22 HB ILE 22 -17.002 4.109 7.935 43 H GLY 23 H GLY 23 -17.161 6.269 4.214 44 H GLY 24 H GLY 24 -19.357 6.364 5.093 45 H VAL 25 H VAL 25 -23.373 6.151 5.176 46 HA VAL 25 HA VAL 25 -22.879 3.933 3.293 47 HB VAL 25 HB VAL 25 -24.125 2.463 4.855 48 H ASP 26 H ASP 26 -24.469 6.452 2.995 49 HA ASP 26 HA ASP 26 -27.189 5.387 2.860 50 H PHE 27 H PHE 27 -28.442 5.464 0.958 51 HA PHE 27 HA PHE 27 -27.340 4.364 -1.287 52 HD1 PHE 27 HD1 PHE 27 -27.669 3.929 -3.157 53 HD2 PHE 27 HD2 PHE 27 -31.547 5.655 -2.842 54 HE1 PHE 27 HE1 PHE 27 -28.139 3.296 -5.488 55 HE2 PHE 27 HE2 PHE 27 -32.021 5.026 -5.171 56 HZ PHE 27 HZ PHE 27 -30.316 3.844 -6.497 57 H GLY 28 H GLY 28 -25.451 5.339 -1.960 58 H SER 29 H SER 29 -24.131 6.280 -0.815 59 HA SER 29 HA SER 29 -22.058 8.279 -0.617 60 HG SER 29 HG SER 29 -23.541 8.200 1.954 61 H SER 30 H SER 30 -19.853 7.189 0.254 62 HA SER 30 HA SER 30 -19.079 4.882 -1.306 63 HG SER 30 HG SER 30 -18.769 8.357 -2.718 64 H ILE 31 H ILE 31 -17.242 3.914 -0.596 65 HA ILE 31 HA ILE 31 -16.138 4.973 1.922 66 HB ILE 31 HB ILE 31 -15.674 2.135 1.210 67 H THR 32 H THR 32 -13.826 4.320 2.336 68 HA THR 32 HA THR 32 -12.309 4.219 -0.178 69 HB THR 32 HB THR 32 -10.927 5.553 2.029 70 HG1 THR 32 HG1 THR 32 -12.154 7.380 2.033 71 H TYR 33 H TYR 33 -11.471 2.273 -0.285 72 HA TYR 33 HA TYR 33 -10.710 0.805 2.073 73 HD1 TYR 33 HD1 TYR 33 -13.297 0.589 0.431 74 HD2 TYR 33 HD2 TYR 33 -10.645 -2.685 0.948 75 HE1 TYR 33 HE1 TYR 33 -15.172 -0.778 1.256 76 HE2 TYR 33 HE2 TYR 33 -12.512 -4.073 1.779 77 HH TYR 33 HH TYR 33 -15.691 -2.713 2.366 78 H SER 34 H SER 34 -8.672 0.098 2.625 79 HA SER 34 HA SER 34 -6.378 1.116 1.146 80 HG SER 34 HG SER 34 -5.231 2.806 1.780 81 H CYS 35 H CYS 35 -4.301 0.292 2.171 82 HA CYS 35 HA CYS 35 -4.722 -2.506 2.888 83 H ASN 36 H ASN 36 -3.094 -3.453 4.471 84 HA ASN 36 HA ASN 36 -3.497 -2.332 6.976 85 H SER 37 H SER 37 -0.157 -2.813 5.963 86 HA SER 37 HA SER 37 0.502 -0.024 6.077 87 HG SER 37 HG SER 37 2.145 0.756 8.422 88 H GLY 38 H GLY 38 2.121 0.282 4.687 89 H TYR 39 H TYR 39 1.262 -1.402 3.060 90 HA TYR 39 HA TYR 39 2.085 -3.482 1.152 91 HD1 TYR 39 HD1 TYR 39 2.347 -4.383 3.368 92 HD2 TYR 39 HD2 TYR 39 -1.303 -5.884 1.782 93 HE1 TYR 39 HE1 TYR 39 2.928 -6.631 4.179 94 HE2 TYR 39 HE2 TYR 39 -0.732 -8.137 2.586 95 HH TYR 39 HH TYR 39 1.452 -9.394 3.148 96 H HIS 40 H HIS 40 0.038 -3.543 -0.586 97 HA HIS 40 HA HIS 40 -0.560 -0.868 -1.505 98 HD1 HIS 40 HD1 HIS 40 0.910 -2.169 -5.699 99 HD2 HIS 40 HD2 HIS 40 1.085 -4.684 -2.397 100 HE1 HIS 40 HE1 HIS 40 1.207 -4.485 -6.633 101 HE2 HIS 40 HE2 HIS 40 1.310 -5.992 -4.617 102 H LEU 41 H LEU 41 -2.661 -0.979 -1.790 103 HA LEU 41 HA LEU 41 -3.949 -3.443 -2.509 104 HG LEU 41 HG LEU 41 -5.971 -0.633 -3.489 105 H ILE 42 H ILE 42 -4.676 -4.031 -4.434 106 HA ILE 42 HA ILE 42 -3.945 -2.324 -6.690 107 HB ILE 42 HB ILE 42 -4.884 -5.141 -7.035 108 H GLY 43 H GLY 43 -5.346 -2.331 -8.614 109 H GLU 44 H GLU 44 -9.922 -1.627 -8.241 110 HA GLU 44 HA GLU 44 -9.790 1.095 -7.546 111 H SER 45 H SER 45 -11.054 1.529 -5.239 112 HA SER 45 HA SER 45 -10.155 0.035 -3.016 113 HG SER 45 HG SER 45 -7.802 3.279 -3.658 114 H LYS 46 H LYS 46 -12.534 1.174 -4.065 115 HA LYS 46 HA LYS 46 -13.405 2.655 -1.724 116 H SER 47 H SER 47 -15.387 2.002 -1.124 117 HA SER 47 HA SER 47 -16.920 0.290 -2.948 118 HG SER 47 HG SER 47 -18.206 -1.509 -0.373 119 H TYR 48 H TYR 48 -18.961 0.880 -3.697 120 HA TYR 48 HA TYR 48 -19.817 3.561 -2.765 121 HD1 TYR 48 HD1 TYR 48 -17.844 4.577 -4.014 122 HD2 TYR 48 HD2 TYR 48 -19.158 1.948 -7.083 123 HE1 TYR 48 HE1 TYR 48 -15.595 4.625 -5.009 124 HE2 TYR 48 HE2 TYR 48 -16.916 1.977 -8.087 125 HH TYR 48 HH TYR 48 -14.199 3.232 -6.478 126 H CYS 49 H CYS 49 -21.653 3.729 -1.794 127 HA CYS 49 HA CYS 49 -23.409 1.499 -1.482 128 H GLU 50 H GLU 50 -24.648 0.868 -3.131 129 HA GLU 50 HA GLU 50 -26.384 2.879 -4.374 130 H LEU 51 H LEU 51 -27.895 1.443 -6.007 131 HA LEU 51 HA LEU 51 -29.355 -0.279 -4.184 132 HG LEU 51 HG LEU 51 -30.667 1.973 -4.482 133 H GLY 52 H GLY 52 -30.228 -2.364 -4.939 134 H SER 53 H SER 53 -31.413 -4.951 -5.937 135 HA SER 53 HA SER 53 -31.642 -5.401 -8.806 136 HG SER 53 HG SER 53 -33.459 -8.172 -8.335 137 H THR 54 H THR 54 -31.847 -2.751 -8.295 138 HA THR 54 HA THR 54 -33.145 -0.957 -8.830 139 HB THR 54 HB THR 54 -34.940 -1.249 -10.255 140 HG1 THR 54 HG1 THR 54 -35.601 -3.754 -9.136 141 H GLY 55 H GLY 55 -33.135 -2.208 -6.155 142 H SER 56 H SER 56 -33.165 -3.543 -4.771 143 HA SER 56 HA SER 56 -33.066 -3.625 -1.895 144 HG SER 56 HG SER 56 -30.691 -6.376 -2.440 145 H MET 57 H MET 57 -30.899 -3.735 -0.782 146 HA MET 57 HA MET 57 -29.317 -1.426 -1.629 147 H VAL 58 H VAL 58 -27.215 -1.566 -2.115 148 HA VAL 58 HA VAL 58 -25.698 -3.964 -1.482 149 HB VAL 58 HB VAL 58 -24.920 -4.219 -3.814 150 H TRP 59 H TRP 59 -23.384 -3.728 -2.114 151 HA TRP 59 HA TRP 59 -22.560 -0.900 -2.055 152 HD1 TRP 59 HD1 TRP 59 -23.393 -2.800 1.392 153 HE1 TRP 59 HE1 TRP 59 -23.716 -0.893 3.076 154 HE3 TRP 59 HE3 TRP 59 -20.199 0.649 -0.646 155 HZ2 TRP 59 HZ2 TRP 59 -22.757 1.728 3.488 156 HZ3 TRP 59 HZ3 TRP 59 -19.961 2.830 0.467 157 HH2 TRP 59 HH2 TRP 59 -21.215 3.349 2.481 158 H ASN 60 H ASN 60 -21.267 -0.259 -3.647 159 HA ASN 60 HA ASN 60 -20.450 -2.033 -5.722 160 HA PRO 61 HA PRO 61 -16.318 -3.579 -5.455 161 H GLU 62 H GLU 62 -16.398 -3.946 -3.267 162 HA GLU 62 HA GLU 62 -15.707 -1.833 -1.428 163 H ALA 63 H ALA 63 -14.555 -5.208 -1.553 164 HA ALA 63 HA ALA 63 -12.018 -4.250 -0.471 165 HA PRO 64 HA PRO 64 -10.756 -5.400 -4.818 166 H ILE 65 H ILE 65 -7.739 -4.691 -4.701 167 HA ILE 65 HA ILE 65 -7.027 -7.229 -3.439 168 HB ILE 65 HB ILE 65 -5.181 -5.716 -5.218 169 H CYS 66 H CYS 66 -4.803 -7.416 -2.533 170 HA CYS 66 HA CYS 66 -3.547 -5.039 -1.522 171 H GLU 67 H GLU 67 -1.423 -5.364 -1.146 172 HA GLU 67 HA GLU 67 -0.385 -8.000 -0.563 173 H SER 68 H SER 68 2.048 -7.933 -0.370 174 HA SER 68 HA SER 68 2.797 -5.432 0.943 175 HG SER 68 HG SER 68 5.550 -7.590 0.705 176 H VAL 69 H VAL 69 3.779 -3.997 -0.294 177 HA VAL 69 HA VAL 69 4.983 -4.378 -2.740 178 HB VAL 69 HB VAL 69 6.331 -2.250 -2.082 179 H LYS 70 H LYS 70 6.465 -5.934 -3.003 180 HA LYS 70 HA LYS 70 8.591 -6.391 -1.119 181 H CYS 71 H CYS 71 10.396 -5.226 -1.028 182 HA CYS 71 HA CYS 71 11.298 -3.785 -3.420 183 H GLN 72 H GLN 72 12.768 -4.763 -4.609 184 HA GLN 72 HA GLN 72 14.192 -7.033 -3.707 185 H SER 73 H SER 73 16.746 -6.677 -4.788 186 HA SER 73 HA SER 73 18.257 -5.883 -2.676 187 HG SER 73 HG SER 73 20.419 -4.775 -3.662 188 HA PRO 74 HA PRO 74 17.764 -1.519 -2.198 189 HA PRO 75 HA PRO 75 19.130 0.719 -5.709 190 H SER 76 H SER 76 20.944 1.135 -7.004 191 HA SER 76 HA SER 76 23.422 -0.124 -6.039 192 HG SER 76 HG SER 76 24.107 -1.547 -9.095 193 H ILE 77 H ILE 77 24.314 1.690 -5.069 194 HA ILE 77 HA ILE 77 24.485 4.226 -6.324 195 HB ILE 77 HB ILE 77 26.086 4.803 -4.571 196 H SER 78 H SER 78 26.677 5.297 -6.655 197 HA SER 78 HA SER 78 28.166 3.663 -8.547 198 HG SER 78 HG SER 78 26.558 5.406 -9.351 199 H ASN 79 H ASN 79 30.267 3.075 -8.340 200 HA ASN 79 HA ASN 79 32.222 2.544 -7.322 201 H GLY 80 H GLY 80 29.650 1.763 -6.108 202 H ARG 81 H ARG 81 28.477 0.060 -2.290 203 HA ARG 81 HA ARG 81 26.520 -1.158 -3.957 204 HE ARG 81 HE ARG 81 29.993 -4.926 -1.551 205 1HH1 ARG 81 1HH1 ARG 81 31.213 -5.795 -4.695 206 1HH2 ARG 81 1HH2 ARG 81 30.861 -6.909 -0.840 207 H HIS 82 H HIS 82 25.500 -3.054 -2.464 208 HA HIS 82 HA HIS 82 24.957 -1.758 0.110 209 HD1 HIS 82 HD1 HIS 82 23.238 -2.327 -3.605 210 HD2 HIS 82 HD2 HIS 82 22.808 -5.718 -1.242 211 HE1 HIS 82 HE1 HIS 82 22.780 -4.210 -5.208 212 HE2 HIS 82 HE2 HIS 82 22.523 -6.254 -3.757 213 H ASN 83 H ASN 83 23.999 -3.514 1.719 214 HA ASN 83 HA ASN 83 26.048 -5.617 1.899 215 H GLY 84 H GLY 84 22.718 -5.126 1.385 216 H TYR 85 H TYR 85 21.187 -9.308 2.524 217 HA TYR 85 HA TYR 85 22.983 -10.718 0.675 218 HD1 TYR 85 HD1 TYR 85 21.817 -9.894 4.579 219 HD2 TYR 85 HD2 TYR 85 25.362 -11.374 2.754 220 HE1 TYR 85 HE1 TYR 85 23.168 -8.533 6.117 221 HE2 TYR 85 HE2 TYR 85 26.726 -10.018 4.288 222 HH TYR 85 HH TYR 85 25.678 -8.757 7.053 223 H GLU 86 H GLU 86 19.715 -10.345 1.714 224 HA GLU 86 HA GLU 86 18.741 -12.758 0.501 225 H ASP 87 H ASP 87 16.535 -12.053 -0.889 226 HA ASP 87 HA ASP 87 17.668 -10.651 -3.210 227 H PHE 88 H PHE 88 15.117 -10.631 -0.906 228 HA PHE 88 HA PHE 88 14.020 -8.239 -2.174 229 HD1 PHE 88 HD1 PHE 88 11.302 -7.791 -3.281 230 HD2 PHE 88 HD2 PHE 88 13.138 -11.593 -3.798 231 HE1 PHE 88 HE1 PHE 88 10.828 -7.687 -5.686 232 HE2 PHE 88 HE2 PHE 88 12.668 -11.496 -6.209 233 HZ PHE 88 HZ PHE 88 11.511 -9.540 -7.160 234 H TYR 89 H TYR 89 12.525 -7.058 -0.734 235 HA TYR 89 HA TYR 89 12.794 -7.596 2.114 236 HD1 TYR 89 HD1 TYR 89 15.274 -6.464 -0.484 237 HD2 TYR 89 HD2 TYR 89 15.404 -6.056 3.751 238 HE1 TYR 89 HE1 TYR 89 17.608 -7.233 -0.486 239 HE2 TYR 89 HE2 TYR 89 17.740 -6.823 3.758 240 HH TYR 89 HH TYR 89 19.203 -8.282 2.198 241 H THR 90 H THR 90 11.438 -5.947 3.383 242 HA THR 90 HA THR 90 9.134 -5.063 1.786 243 HB THR 90 HB THR 90 7.746 -5.866 3.829 244 HG1 THR 90 HG1 THR 90 9.607 -6.397 5.098 245 H ASP 91 H ASP 91 7.530 -3.976 3.597 246 HA ASP 91 HA ASP 91 8.804 -1.567 4.265 247 H GLY 92 H GLY 92 10.331 -1.545 5.668 248 H SER 93 H SER 93 11.980 -2.534 5.659 249 HA SER 93 HA SER 93 13.894 -4.164 7.183 250 HG SER 93 HG SER 93 11.942 -4.225 4.289 251 H VAL 94 H VAL 94 16.119 -3.782 7.036 252 HA VAL 94 HA VAL 94 16.877 -1.167 5.933 253 HB VAL 94 HB VAL 94 17.689 -2.283 8.619 254 H VAL 95 H VAL 95 19.127 -0.939 5.397 255 HA VAL 95 HA VAL 95 20.772 -3.331 5.329 256 HB VAL 95 HB VAL 95 20.132 -1.918 2.745 257 H THR 96 H THR 96 22.963 -2.904 4.975 258 HA THR 96 HA THR 96 23.673 -0.073 5.238 259 HB THR 96 HB THR 96 25.965 -1.472 5.796 260 HG1 THR 96 HG1 THR 96 23.783 -2.954 6.832 261 H TYR 97 H TYR 97 25.044 0.918 3.853 262 HA TYR 97 HA TYR 97 25.680 -0.552 1.411 263 HD1 TYR 97 HD1 TYR 97 23.092 0.398 1.876 264 HD2 TYR 97 HD2 TYR 97 25.235 2.309 -1.257 265 HE1 TYR 97 HE1 TYR 97 21.178 0.069 0.381 266 HE2 TYR 97 HE2 TYR 97 23.321 1.990 -2.766 267 HH TYR 97 HH TYR 97 21.251 0.104 -2.728 268 H SER 98 H SER 98 27.722 -0.289 0.372 269 HA SER 98 HA SER 98 29.930 0.741 1.957 270 HG SER 98 HG SER 98 29.986 -0.835 3.699 271 H CYS 99 H CYS 99 31.723 1.276 0.751 272 HA CYS 99 HA CYS 99 31.311 1.607 -2.047 273 H ASN 100 H ASN 100 32.804 0.851 -3.725 274 HA ASN 100 HA ASN 100 33.315 -1.975 -3.394 275 H SER 101 H SER 101 35.296 0.545 -4.964 276 HA SER 101 HA SER 101 37.702 -0.899 -4.583 277 HG SER 101 HG SER 101 39.585 1.650 -5.190 278 H GLY 102 H GLY 102 35.962 1.331 -2.603 279 H TYR 103 H TYR 103 35.378 3.063 -1.954 280 HA TYR 103 HA TYR 103 36.486 5.641 -1.556 281 HD1 TYR 103 HD1 TYR 103 35.180 3.794 -4.484 282 HD2 TYR 103 HD2 TYR 103 35.123 7.885 -3.312 283 HE1 TYR 103 HE1 TYR 103 36.089 4.429 -6.678 284 HE2 TYR 103 HE2 TYR 103 36.033 8.531 -5.504 285 HH TYR 103 HH TYR 103 37.482 6.462 -7.577 286 H SER 104 H SER 104 34.639 7.261 -0.573 287 HA SER 104 HA SER 104 34.339 6.380 2.217 288 HG SER 104 HG SER 104 36.563 9.094 1.789 289 H LEU 105 H LEU 105 32.337 5.498 2.320 290 HA LEU 105 HA LEU 105 30.117 6.043 0.871 291 HG LEU 105 HG LEU 105 28.248 5.056 1.376 292 H ILE 106 H ILE 106 28.800 7.630 0.612 293 HA ILE 106 HA ILE 106 29.019 9.988 2.306 294 HB ILE 106 HB ILE 106 27.589 9.505 -0.303 295 H GLY 107 H GLY 107 27.157 10.991 3.242 296 H ASN 108 H ASN 108 23.660 8.258 4.342 297 HA ASN 108 HA ASN 108 25.254 6.960 6.449 298 H SER 109 H SER 109 25.633 4.823 6.346 299 HA SER 109 HA SER 109 25.376 3.477 3.871 300 HG SER 109 HG SER 109 27.788 2.776 6.757 301 H GLY 110 H GLY 110 23.437 3.649 6.734 302 H VAL 111 H VAL 111 20.016 1.007 5.177 303 HA VAL 111 HA VAL 111 18.768 3.316 3.857 304 HB VAL 111 HB VAL 111 18.959 0.684 2.465 305 H LEU 112 H LEU 112 16.609 3.390 4.103 306 HA LEU 112 HA LEU 112 15.352 1.200 5.542 307 HG LEU 112 HG LEU 112 12.591 3.487 6.533 308 H CYS 113 H CYS 113 14.033 -0.259 4.696 309 HA CYS 113 HA CYS 113 13.178 0.064 1.908 310 H SER 114 H SER 114 11.300 1.183 1.908 311 HA SER 114 HA SER 114 9.030 0.022 3.302 312 HG SER 114 HG SER 114 8.979 3.924 3.964 313 H GLY 115 H GLY 115 7.643 -0.337 1.711 314 H GLY 116 H GLY 116 8.044 -1.409 -0.250 315 H GLU 117 H GLU 117 10.020 0.221 -1.081 316 HA GLU 117 HA GLU 117 11.989 0.488 -3.214 317 H TRP 118 H TRP 118 13.590 2.367 -2.406 318 HA TRP 118 HA TRP 118 14.183 1.808 0.418 319 HD1 TRP 118 HD1 TRP 118 15.111 -0.293 -2.975 320 HE1 TRP 118 HE1 TRP 118 15.268 -2.742 -2.205 321 HE3 TRP 118 HE3 TRP 118 16.645 0.465 1.838 322 HZ2 TRP 118 HZ2 TRP 118 15.955 -4.161 0.125 323 HZ3 TRP 118 HZ3 TRP 118 17.037 -1.495 3.274 324 HH2 TRP 118 HH2 TRP 118 16.690 -3.764 2.432 325 H SER 119 H SER 119 14.984 3.472 1.659 326 HA SER 119 HA SER 119 15.049 6.118 0.376 327 HG SER 119 HG SER 119 12.141 5.614 1.639 328 H ASP 120 H ASP 120 16.201 7.766 1.698 329 HA ASP 120 HA ASP 120 18.230 8.532 2.377 330 HA PRO 121 HA PRO 121 20.751 4.861 0.873 331 HA PRO 122 HA PRO 122 24.141 7.771 0.852 332 H THR 123 H THR 123 26.540 7.645 0.014 333 HA THR 123 HA THR 123 26.575 6.733 -2.782 334 HB THR 123 HB THR 123 28.060 9.217 -2.340 335 HG1 THR 123 HG1 THR 123 26.504 10.425 -1.641 336 H CYS 124 H CYS 124 29.165 7.751 -3.341 337 HA CYS 124 HA CYS 124 30.928 6.798 -1.272 338 H GLN 125 H GLN 125 31.781 8.850 -1.352 339 HA GLN 125 HA GLN 125 33.338 9.466 -3.770 340 H ILE 126 H ILE 126 35.232 10.955 -3.208 341 HA ILE 126 HA ILE 126 36.693 9.676 -1.029 342 HB ILE 126 HB ILE 126 37.679 11.489 -3.233 No H/Q in entry = 342 Start of MODEL 32 1 H ARG 7 H ARG 7 33.011 -5.997 -1.085 2 HA ARG 7 HA ARG 7 33.181 -3.399 0.225 3 HE ARG 7 HE ARG 7 35.068 -3.800 -4.590 4 1HH1 ARG 7 1HH1 ARG 7 36.969 -1.065 -3.575 5 1HH2 ARG 7 1HH2 ARG 7 35.564 -3.153 -6.720 6 H ARG 8 H ARG 8 31.045 -4.397 1.263 7 HA ARG 8 HA ARG 8 28.658 -4.173 -0.267 8 HE ARG 8 HE ARG 8 28.070 -7.882 0.778 9 1HH1 ARG 8 1HH1 ARG 8 27.146 -8.570 4.065 10 1HH2 ARG 8 1HH2 ARG 8 27.287 -9.970 0.290 11 H CYS 9 H CYS 9 26.862 -2.706 0.975 12 HA CYS 9 HA CYS 9 27.899 0.039 0.768 13 HA PRO 10 HA PRO 10 26.847 0.959 4.936 14 H SER 11 H SER 11 25.014 1.668 6.405 15 HA SER 11 HA SER 11 22.847 0.002 6.154 16 HG SER 11 HG SER 11 20.894 1.098 7.813 17 HA PRO 12 HA PRO 12 20.705 2.039 2.740 18 H ARG 13 H ARG 13 19.113 3.574 2.650 19 HA ARG 13 HA ARG 13 18.247 4.851 4.952 20 HE ARG 13 HE ARG 13 17.169 9.552 4.073 21 1HH1 ARG 13 1HH1 ARG 13 18.516 8.430 1.063 22 1HH2 ARG 13 1HH2 ARG 13 18.418 11.432 3.748 23 H ASP 14 H ASP 14 16.054 5.068 5.803 24 HA ASP 14 HA ASP 14 14.705 2.462 5.747 25 H ILE 15 H ILE 15 12.373 2.925 6.878 26 HA ILE 15 HA ILE 15 11.051 5.140 5.510 27 HB ILE 15 HB ILE 15 10.983 3.207 3.953 28 H ASP 16 H ASP 16 9.267 5.893 6.582 29 HA ASP 16 HA ASP 16 8.882 4.875 9.267 30 H ASN 17 H ASN 17 6.851 5.480 6.413 31 HA ASN 17 HA ASN 17 4.642 4.058 7.677 32 H GLY 18 H GLY 18 7.115 2.708 6.722 33 H GLN 19 H GLN 19 7.823 -0.965 4.485 34 HA GLN 19 HA GLN 19 9.737 -1.204 6.685 35 H LEU 20 H LEU 20 11.728 -1.716 5.976 36 HA LEU 20 HA LEU 20 12.204 -1.998 3.190 37 HG LEU 20 HG LEU 20 14.296 -0.630 2.931 38 H ASP 21 H ASP 21 13.353 -3.702 2.157 39 HA ASP 21 HA ASP 21 13.161 -6.334 3.441 40 H ILE 22 H ILE 22 15.444 -5.702 3.789 41 HA ILE 22 HA ILE 22 17.223 -5.349 1.623 42 HB ILE 22 HB ILE 22 17.844 -6.250 4.435 43 H GLY 23 H GLY 23 17.305 -6.891 0.103 44 H GLY 24 H GLY 24 19.702 -7.279 0.695 45 H VAL 25 H VAL 25 23.540 -7.117 0.866 46 HA VAL 25 HA VAL 25 23.098 -4.284 0.187 47 HB VAL 25 HB VAL 25 24.306 -3.685 2.224 48 H ASP 26 H ASP 26 24.710 -6.534 -1.152 49 HA ASP 26 HA ASP 26 27.416 -5.506 -0.924 50 H PHE 27 H PHE 27 28.631 -5.036 -2.944 51 HA PHE 27 HA PHE 27 27.447 -2.901 -4.328 52 HD1 PHE 27 HD1 PHE 27 27.775 -1.606 -5.753 53 HD2 PHE 27 HD2 PHE 27 31.529 -3.456 -6.532 54 HE1 PHE 27 HE1 PHE 27 28.135 -0.073 -7.645 55 HE2 PHE 27 HE2 PHE 27 31.894 -1.927 -8.424 56 HZ PHE 27 HZ PHE 27 30.197 -0.234 -8.983 57 H GLY 28 H GLY 28 25.556 -3.526 -5.320 58 H SER 29 H SER 29 24.090 -4.638 -4.763 59 HA SER 29 HA SER 29 22.117 -6.690 -5.433 60 HG SER 29 HG SER 29 24.125 -7.290 -3.906 61 H SER 30 H SER 30 20.000 -6.081 -3.873 62 HA SER 30 HA SER 30 19.211 -3.336 -4.268 63 HG SER 30 HG SER 30 16.938 -6.065 -5.940 64 H ILE 31 H ILE 31 17.404 -2.731 -3.101 65 HA ILE 31 HA ILE 31 16.490 -4.728 -1.141 66 HB ILE 31 HB ILE 31 15.890 -1.865 -0.672 67 H THR 32 H THR 32 14.211 -4.206 -0.274 68 HA THR 32 HA THR 32 12.468 -3.321 -2.462 69 HB THR 32 HB THR 32 11.245 -5.435 -0.909 70 HG1 THR 32 HG1 THR 32 12.605 -7.095 -1.851 71 H TYR 33 H TYR 33 11.403 -1.616 -1.800 72 HA TYR 33 HA TYR 33 10.845 -1.249 1.031 73 HD1 TYR 33 HD1 TYR 33 13.262 0.197 -1.106 74 HD2 TYR 33 HD2 TYR 33 10.785 1.937 1.886 75 HE1 TYR 33 HE1 TYR 33 15.245 1.196 -0.047 76 HE2 TYR 33 HE2 TYR 33 12.763 2.939 2.952 77 HH TYR 33 HH TYR 33 14.966 3.323 2.773 78 H SER 34 H SER 34 8.889 -1.335 1.986 79 HA SER 34 HA SER 34 6.508 -1.644 0.306 80 HG SER 34 HG SER 34 7.068 -4.751 0.280 81 H CYS 35 H CYS 35 4.496 -1.303 1.477 82 HA CYS 35 HA CYS 35 4.826 0.728 3.523 83 H ASN 36 H ASN 36 3.564 0.723 5.476 84 HA ASN 36 HA ASN 36 3.916 -1.561 7.010 85 H SER 37 H SER 37 0.613 -0.422 6.963 86 HA SER 37 HA SER 37 -0.333 -2.849 5.669 87 HG SER 37 HG SER 37 -2.697 -2.743 8.559 88 H GLY 38 H GLY 38 -2.086 -2.471 4.460 89 H TYR 39 H TYR 39 -1.122 -0.364 3.464 90 HA TYR 39 HA TYR 39 -1.776 2.414 2.733 91 HD1 TYR 39 HD1 TYR 39 -2.025 2.358 5.093 92 HD2 TYR 39 HD2 TYR 39 1.766 4.094 4.262 93 HE1 TYR 39 HE1 TYR 39 -2.469 4.110 6.762 94 HE2 TYR 39 HE2 TYR 39 1.335 5.854 5.928 95 HH TYR 39 HH TYR 39 -0.912 5.674 8.250 96 H HIS 40 H HIS 40 -0.301 3.276 0.967 97 HA HIS 40 HA HIS 40 0.356 1.195 -0.992 98 HD1 HIS 40 HD1 HIS 40 -1.250 4.471 -3.972 99 HD2 HIS 40 HD2 HIS 40 -0.929 4.991 0.135 100 HE1 HIS 40 HE1 HIS 40 -1.433 6.950 -3.592 101 HE2 HIS 40 HE2 HIS 40 -1.235 7.243 -1.097 102 H LEU 41 H LEU 41 2.357 1.353 -1.705 103 HA LEU 41 HA LEU 41 3.922 3.702 -1.041 104 HG LEU 41 HG LEU 41 6.412 3.358 -1.743 105 H ILE 42 H ILE 42 4.357 5.280 -2.433 106 HA ILE 42 HA ILE 42 3.762 4.826 -5.271 107 HB ILE 42 HB ILE 42 4.304 7.561 -4.217 108 H GLY 43 H GLY 43 5.142 6.028 -6.836 109 H GLU 44 H GLU 44 9.653 5.527 -6.137 110 HA GLU 44 HA GLU 44 9.870 3.088 -7.626 111 H SER 45 H SER 45 11.067 1.271 -6.131 112 HA SER 45 HA SER 45 9.805 0.824 -3.595 113 HG SER 45 HG SER 45 8.798 -1.626 -6.602 114 H LYS 46 H LYS 46 12.500 0.863 -4.951 115 HA LYS 46 HA LYS 46 13.606 -1.402 -3.596 116 H SER 47 H SER 47 15.547 -0.820 -2.881 117 HA SER 47 HA SER 47 16.918 1.476 -4.070 118 HG SER 47 HG SER 47 18.596 2.243 -2.732 119 H TYR 48 H TYR 48 18.933 1.300 -5.087 120 HA TYR 48 HA TYR 48 19.901 -1.489 -5.300 121 HD1 TYR 48 HD1 TYR 48 17.914 -2.103 -6.775 122 HD2 TYR 48 HD2 TYR 48 18.918 1.563 -8.678 123 HE1 TYR 48 HE1 TYR 48 15.619 -1.936 -7.652 124 HE2 TYR 48 HE2 TYR 48 16.627 1.749 -9.554 125 HH TYR 48 HH TYR 48 14.104 0.267 -8.435 126 H CYS 49 H CYS 49 21.741 -1.885 -4.431 127 HA CYS 49 HA CYS 49 23.449 0.154 -3.419 128 H GLU 50 H GLU 50 24.717 1.361 -4.649 129 HA GLU 50 HA GLU 50 26.376 0.042 -6.667 130 H LEU 51 H LEU 51 27.754 2.139 -7.657 131 HA LEU 51 HA LEU 51 29.172 3.102 -5.282 132 HG LEU 51 HG LEU 51 29.763 4.171 -8.690 133 H GLY 52 H GLY 52 29.644 5.248 -4.947 134 H SER 53 H SER 53 29.786 9.324 -6.195 135 HA SER 53 HA SER 53 30.239 9.030 -9.057 136 HG SER 53 HG SER 53 28.562 10.703 -9.168 137 H THR 54 H THR 54 32.046 9.538 -6.075 138 HA THR 54 HA THR 54 34.569 9.474 -7.561 139 HB THR 54 HB THR 54 35.615 10.343 -5.630 140 HG1 THR 54 HG1 THR 54 33.271 9.679 -4.178 141 H GLY 55 H GLY 55 32.771 7.128 -7.115 142 H SER 56 H SER 56 32.146 6.767 -4.823 143 HA SER 56 HA SER 56 32.797 5.516 -2.326 144 HG SER 56 HG SER 56 30.616 8.670 -3.389 145 H MET 57 H MET 57 30.573 5.205 -0.947 146 HA MET 57 HA MET 57 29.134 3.060 -2.348 147 H VAL 58 H VAL 58 27.020 3.275 -2.722 148 HA VAL 58 HA VAL 58 25.423 5.128 -1.147 149 HB VAL 58 HB VAL 58 24.482 6.049 -3.371 150 H TRP 59 H TRP 59 23.091 5.134 -2.126 151 HA TRP 59 HA TRP 59 22.412 2.429 -3.050 152 HD1 TRP 59 HD1 TRP 59 23.332 2.983 0.780 153 HE1 TRP 59 HE1 TRP 59 23.861 0.629 1.681 154 HE3 TRP 59 HE3 TRP 59 20.151 0.258 -2.153 155 HZ2 TRP 59 HZ2 TRP 59 23.036 -2.032 1.200 156 HZ3 TRP 59 HZ3 TRP 59 20.084 -2.183 -1.868 157 HH2 TRP 59 HH2 TRP 59 21.493 -3.297 -0.235 158 H ASN 60 H ASN 60 21.157 2.440 -4.786 159 HA ASN 60 HA ASN 60 20.141 4.847 -5.916 160 HA PRO 61 HA PRO 61 15.884 5.788 -5.026 161 H GLU 62 H GLU 62 16.354 5.326 -2.836 162 HA GLU 62 HA GLU 62 15.874 2.706 -1.791 163 H ALA 63 H ALA 63 14.621 5.353 0.100 164 HA ALA 63 HA ALA 63 12.150 3.930 0.394 165 HA PRO 64 HA PRO 64 10.132 6.605 -2.661 166 H ILE 65 H ILE 65 7.265 6.465 -2.625 167 HA ILE 65 HA ILE 65 6.741 7.933 -0.155 168 HB ILE 65 HB ILE 65 4.737 7.598 -2.339 169 H CYS 66 H CYS 66 4.531 7.573 0.834 170 HA CYS 66 HA CYS 66 3.278 5.032 0.496 171 H GLU 67 H GLU 67 1.236 5.087 1.251 172 HA GLU 67 HA GLU 67 0.476 6.823 3.430 173 H SER 68 H SER 68 -2.089 6.795 3.520 174 HA SER 68 HA SER 68 -2.800 3.987 3.591 175 HG SER 68 HG SER 68 -4.223 7.371 4.647 176 H VAL 69 H VAL 69 -3.611 3.059 1.857 177 HA VAL 69 HA VAL 69 -4.488 4.136 -0.462 178 HB VAL 69 HB VAL 69 -6.158 2.053 -0.449 179 H LYS 70 H LYS 70 -5.764 5.907 -0.432 180 HA LYS 70 HA LYS 70 -8.122 6.147 1.147 181 H CYS 71 H CYS 71 -9.834 4.860 0.792 182 HA CYS 71 HA CYS 71 -10.538 4.121 -1.949 183 H GLN 72 H GLN 72 -12.082 5.128 -3.028 184 HA GLN 72 HA GLN 72 -13.526 7.279 -1.799 185 H SER 73 H SER 73 -15.981 6.987 -3.325 186 HA SER 73 HA SER 73 -17.653 5.876 -1.475 187 HG SER 73 HG SER 73 -19.636 4.818 -2.901 188 HA PRO 74 HA PRO 74 -17.044 1.486 -1.679 189 HA PRO 75 HA PRO 75 -18.321 -0.333 -5.467 190 H SER 76 H SER 76 -20.093 -0.511 -6.878 191 HA SER 76 HA SER 76 -22.553 0.767 -5.889 192 HG SER 76 HG SER 76 -21.104 2.960 -8.188 193 H ILE 77 H ILE 77 -23.572 -1.131 -5.228 194 HA ILE 77 HA ILE 77 -23.793 -3.440 -6.857 195 HB ILE 77 HB ILE 77 -25.480 -4.214 -5.300 196 H SER 78 H SER 78 -26.117 -4.301 -7.318 197 HA SER 78 HA SER 78 -27.395 -2.307 -9.033 198 HG SER 78 HG SER 78 -29.192 -3.913 -10.588 199 H ASN 79 H ASN 79 -29.593 -1.847 -8.916 200 HA ASN 79 HA ASN 79 -31.583 -1.471 -7.888 201 H GLY 80 H GLY 80 -29.093 -0.724 -6.508 202 H ARG 81 H ARG 81 -27.977 0.411 -2.492 203 HA ARG 81 HA ARG 81 -25.856 1.649 -3.913 204 HE ARG 81 HE ARG 81 -31.118 5.204 -2.752 205 1HH1 ARG 81 1HH1 ARG 81 -27.762 6.051 -2.353 206 1HH2 ARG 81 1HH2 ARG 81 -31.542 6.793 -1.173 207 H HIS 82 H HIS 82 -24.811 3.364 -2.222 208 HA HIS 82 HA HIS 82 -24.501 1.819 0.259 209 HD1 HIS 82 HD1 HIS 82 -23.119 5.694 -0.178 210 HD2 HIS 82 HD2 HIS 82 -21.638 3.268 -3.210 211 HE1 HIS 82 HE1 HIS 82 -22.403 7.265 -2.006 212 HE2 HIS 82 HE2 HIS 82 -21.510 5.776 -3.831 213 H ASN 83 H ASN 83 -23.643 3.343 2.117 214 HA ASN 83 HA ASN 83 -25.266 5.797 2.191 215 H GLY 84 H GLY 84 -23.219 6.835 1.728 216 H TYR 85 H TYR 85 -20.545 8.759 4.839 217 HA TYR 85 HA TYR 85 -22.251 11.086 4.294 218 HD1 TYR 85 HD1 TYR 85 -20.881 8.297 7.010 219 HD2 TYR 85 HD2 TYR 85 -24.081 11.099 6.933 220 HE1 TYR 85 HE1 TYR 85 -22.363 6.623 8.034 221 HE2 TYR 85 HE2 TYR 85 -25.572 9.434 7.957 222 HH TYR 85 HH TYR 85 -25.588 6.763 8.013 223 H GLU 86 H GLU 86 -19.003 9.904 4.339 224 HA GLU 86 HA GLU 86 -17.889 12.550 3.853 225 H ASP 87 H ASP 87 -15.831 12.105 2.188 226 HA ASP 87 HA ASP 87 -17.144 11.255 -0.304 227 H PHE 88 H PHE 88 -14.502 10.705 1.812 228 HA PHE 88 HA PHE 88 -13.472 8.680 -0.036 229 HD1 PHE 88 HD1 PHE 88 -12.628 12.026 -1.017 230 HD2 PHE 88 HD2 PHE 88 -10.397 8.408 -0.854 231 HE1 PHE 88 HE1 PHE 88 -11.981 12.323 -3.370 232 HE2 PHE 88 HE2 PHE 88 -9.747 8.697 -3.201 233 HZ PHE 88 HZ PHE 88 -10.536 10.657 -4.470 234 H TYR 89 H TYR 89 -11.950 7.159 1.105 235 HA TYR 89 HA TYR 89 -12.466 6.878 3.963 236 HD1 TYR 89 HD1 TYR 89 -14.680 6.207 0.795 237 HD2 TYR 89 HD2 TYR 89 -15.066 5.181 4.908 238 HE1 TYR 89 HE1 TYR 89 -17.030 6.922 0.748 239 HE2 TYR 89 HE2 TYR 89 -17.419 5.894 4.869 240 HH TYR 89 HH TYR 89 -19.238 6.142 3.113 241 H THR 90 H THR 90 -11.087 5.147 4.938 242 HA THR 90 HA THR 90 -8.623 4.737 3.380 243 HB THR 90 HB THR 90 -7.425 4.991 5.633 244 HG1 THR 90 HG1 THR 90 -9.876 6.270 6.261 245 H ASP 91 H ASP 91 -7.137 3.168 4.801 246 HA ASP 91 HA ASP 91 -8.421 0.664 4.736 247 H GLY 92 H GLY 92 -10.130 0.538 6.053 248 H SER 93 H SER 93 -11.895 1.227 6.346 249 HA SER 93 HA SER 93 -13.632 2.669 8.231 250 HG SER 93 HG SER 93 -11.731 4.071 6.619 251 H VAL 94 H VAL 94 -15.980 2.596 7.764 252 HA VAL 94 HA VAL 94 -16.800 0.100 6.459 253 HB VAL 94 HB VAL 94 -17.690 1.016 9.195 254 H VAL 95 H VAL 95 -18.936 0.029 5.719 255 HA VAL 95 HA VAL 95 -20.563 2.430 5.825 256 HB VAL 95 HB VAL 95 -19.751 1.327 3.140 257 H THR 96 H THR 96 -22.720 2.055 5.313 258 HA THR 96 HA THR 96 -23.444 -0.783 5.112 259 HB THR 96 HB THR 96 -25.769 0.576 5.707 260 HG1 THR 96 HG1 THR 96 -25.298 2.104 7.199 261 H TYR 97 H TYR 97 -24.919 -1.472 3.572 262 HA TYR 97 HA TYR 97 -25.252 0.376 1.322 263 HD1 TYR 97 HD1 TYR 97 -22.780 -0.836 1.834 264 HD2 TYR 97 HD2 TYR 97 -24.757 -2.091 -1.713 265 HE1 TYR 97 HE1 TYR 97 -20.718 -0.455 0.567 266 HE2 TYR 97 HE2 TYR 97 -22.691 -1.724 -2.997 267 HH TYR 97 HH TYR 97 -19.863 -1.634 -1.949 268 H SER 98 H SER 98 -27.277 0.384 0.154 269 HA SER 98 HA SER 98 -29.615 -0.646 1.523 270 HG SER 98 HG SER 98 -30.228 2.951 0.571 271 H CYS 99 H CYS 99 -31.388 -0.847 0.220 272 HA CYS 99 HA CYS 99 -30.956 -0.873 -2.554 273 H ASN 100 H ASN 100 -32.424 0.128 -4.156 274 HA ASN 100 HA ASN 100 -32.702 2.983 -3.582 275 H SER 101 H SER 101 -34.599 1.136 -5.903 276 HA SER 101 HA SER 101 -36.979 2.485 -5.418 277 HG SER 101 HG SER 101 -38.919 1.002 -6.819 278 H GLY 102 H GLY 102 -35.792 -0.542 -4.012 279 H TYR 103 H TYR 103 -35.018 -2.086 -3.126 280 HA TYR 103 HA TYR 103 -36.077 -4.746 -3.337 281 HD1 TYR 103 HD1 TYR 103 -34.895 -2.308 -5.599 282 HD2 TYR 103 HD2 TYR 103 -34.193 -6.501 -5.461 283 HE1 TYR 103 HE1 TYR 103 -35.592 -2.495 -7.950 284 HE2 TYR 103 HE2 TYR 103 -34.895 -6.704 -7.808 285 HH TYR 103 HH TYR 103 -34.912 -4.575 -9.909 286 H SER 104 H SER 104 -34.007 -6.331 -2.353 287 HA SER 104 HA SER 104 -34.104 -5.772 0.535 288 HG SER 104 HG SER 104 -36.373 -8.158 0.286 289 H LEU 105 H LEU 105 -32.146 -5.109 1.128 290 HA LEU 105 HA LEU 105 -29.699 -5.517 -0.032 291 HG LEU 105 HG LEU 105 -28.751 -3.128 2.477 292 H ILE 106 H ILE 106 -28.644 -7.300 -0.472 293 HA ILE 106 HA ILE 106 -29.239 -9.753 0.965 294 HB ILE 106 HB ILE 106 -27.528 -9.270 -1.462 295 H GLY 107 H GLY 107 -27.586 -11.111 1.803 296 H ASN 108 H ASN 108 -23.810 -9.006 3.210 297 HA ASN 108 HA ASN 108 -25.188 -7.845 5.543 298 H SER 109 H SER 109 -25.642 -5.745 5.491 299 HA SER 109 HA SER 109 -25.181 -4.165 3.205 300 HG SER 109 HG SER 109 -27.340 -3.694 6.433 301 H GLY 110 H GLY 110 -23.428 -4.618 6.162 302 H VAL 111 H VAL 111 -19.780 -1.918 5.286 303 HA VAL 111 HA VAL 111 -18.467 -4.032 3.743 304 HB VAL 111 HB VAL 111 -18.671 -1.275 2.619 305 H LEU 112 H LEU 112 -16.349 -4.130 4.198 306 HA LEU 112 HA LEU 112 -15.174 -2.055 5.834 307 HG LEU 112 HG LEU 112 -12.213 -3.269 5.067 308 H CYS 113 H CYS 113 -13.848 -0.500 5.192 309 HA CYS 113 HA CYS 113 -13.005 -0.418 2.396 310 H SER 114 H SER 114 -11.188 -1.587 2.095 311 HA SER 114 HA SER 114 -8.830 -0.877 3.629 312 HG SER 114 HG SER 114 -7.787 -2.979 5.236 313 H GLY 115 H GLY 115 -6.860 -1.898 2.768 314 H GLY 116 H GLY 116 -7.478 0.035 0.659 315 H GLU 117 H GLU 117 -9.380 -1.270 -0.583 316 HA GLU 117 HA GLU 117 -11.335 -0.825 -2.693 317 H TRP 118 H TRP 118 -13.286 -2.308 -2.282 318 HA TRP 118 HA TRP 118 -13.813 -2.276 0.607 319 HD1 TRP 118 HD1 TRP 118 -14.439 0.277 -2.465 320 HE1 TRP 118 HE1 TRP 118 -14.549 2.631 -1.434 321 HE3 TRP 118 HE3 TRP 118 -16.418 -0.924 2.087 322 HZ2 TRP 118 HZ2 TRP 118 -15.369 3.820 0.987 323 HZ3 TRP 118 HZ3 TRP 118 -16.839 0.878 3.705 324 HH2 TRP 118 HH2 TRP 118 -16.323 3.206 3.166 325 H SER 119 H SER 119 -14.337 -4.105 1.640 326 HA SER 119 HA SER 119 -14.700 -6.525 0.003 327 HG SER 119 HG SER 119 -12.329 -5.957 3.123 328 H ASP 120 H ASP 120 -16.184 -8.090 0.672 329 HA ASP 120 HA ASP 120 -18.085 -8.928 1.582 330 HA PRO 121 HA PRO 121 -20.428 -5.086 0.098 331 HA PRO 122 HA PRO 122 -23.802 -7.995 -0.172 332 H THR 123 H THR 123 -26.098 -7.950 -1.091 333 HA THR 123 HA THR 123 -26.098 -6.757 -3.793 334 HB THR 123 HB THR 123 -27.804 -9.068 -3.637 335 HG1 THR 123 HG1 THR 123 -26.226 -10.642 -3.318 336 H CYS 124 H CYS 124 -28.705 -7.494 -4.412 337 HA CYS 124 HA CYS 124 -30.467 -6.629 -2.364 338 H GLN 125 H GLN 125 -31.683 -8.314 -3.006 339 HA GLN 125 HA GLN 125 -32.904 -8.130 -5.676 340 H ILE 126 H ILE 126 -35.092 -9.350 -5.665 341 HA ILE 126 HA ILE 126 -36.745 -8.039 -3.664 342 HB ILE 126 HB ILE 126 -37.477 -9.562 -6.163 No H/Q in entry = 342 Start of MODEL 33 1 H ARG 7 H ARG 7 -34.514 2.905 0.495 2 HA ARG 7 HA ARG 7 -34.287 0.535 2.229 3 HE ARG 7 HE ARG 7 -37.906 1.772 1.689 4 1HH1 ARG 7 1HH1 ARG 7 -38.167 -1.461 2.955 5 1HH2 ARG 7 1HH2 ARG 7 -39.311 2.377 3.385 6 H ARG 8 H ARG 8 -32.198 1.574 2.831 7 HA ARG 8 HA ARG 8 -30.126 1.549 0.807 8 HE ARG 8 HE ARG 8 -31.605 5.609 1.989 9 1HH1 ARG 8 1HH1 ARG 8 -28.527 6.859 3.035 10 1HH2 ARG 8 1HH2 ARG 8 -31.994 7.700 1.164 11 H CYS 9 H CYS 9 -27.980 0.535 1.455 12 HA CYS 9 HA CYS 9 -28.425 -2.282 1.872 13 HA PRO 10 HA PRO 10 -27.249 -2.554 6.119 14 H SER 11 H SER 11 -25.274 -2.752 7.599 15 HA SER 11 HA SER 11 -23.448 -0.803 7.023 16 HG SER 11 HG SER 11 -21.454 -3.181 9.068 17 HA PRO 12 HA PRO 12 -21.024 -2.757 3.783 18 H ARG 13 H ARG 13 -18.867 -3.623 3.550 19 HA ARG 13 HA ARG 13 -17.899 -4.880 5.886 20 HE ARG 13 HE ARG 13 -16.915 -9.559 4.720 21 1HH1 ARG 13 1HH1 ARG 13 -18.776 -6.675 5.305 22 1HH2 ARG 13 1HH2 ARG 13 -18.058 -10.461 6.479 23 H ASP 14 H ASP 14 -15.345 -4.736 6.206 24 HA ASP 14 HA ASP 14 -14.608 -1.903 6.372 25 H ILE 15 H ILE 15 -12.229 -2.054 7.615 26 HA ILE 15 HA ILE 15 -10.589 -4.111 6.393 27 HB ILE 15 HB ILE 15 -10.786 -2.440 4.601 28 H ASP 16 H ASP 16 -8.493 -4.240 7.289 29 HA ASP 16 HA ASP 16 -8.279 -2.938 9.895 30 H ASN 17 H ASN 17 -6.204 -3.608 7.075 31 HA ASN 17 HA ASN 17 -4.343 -1.543 7.968 32 H GLY 18 H GLY 18 -6.811 -0.573 7.223 33 H GLN 19 H GLN 19 -8.422 2.329 4.395 34 HA GLN 19 HA GLN 19 -10.234 2.558 6.665 35 H LEU 20 H LEU 20 -12.297 2.697 5.994 36 HA LEU 20 HA LEU 20 -12.851 2.780 3.189 37 HG LEU 20 HG LEU 20 -14.299 0.754 3.201 38 H ASP 21 H ASP 21 -14.484 4.162 2.247 39 HA ASP 21 HA ASP 21 -14.710 6.821 3.468 40 H ILE 22 H ILE 22 -16.768 5.807 4.061 41 HA ILE 22 HA ILE 22 -18.633 5.131 1.983 42 HB ILE 22 HB ILE 22 -19.632 5.605 4.735 43 H GLY 23 H GLY 23 -19.455 6.691 0.766 44 H GLY 24 H GLY 24 -21.679 6.415 1.815 45 H VAL 25 H VAL 25 -25.791 5.386 1.917 46 HA VAL 25 HA VAL 25 -24.609 2.787 1.208 47 HB VAL 25 HB VAL 25 -25.621 1.745 3.168 48 H ASP 26 H ASP 26 -26.913 4.840 0.336 49 HA ASP 26 HA ASP 26 -29.254 3.215 0.395 50 H PHE 27 H PHE 27 -30.328 2.256 -1.425 51 HA PHE 27 HA PHE 27 -28.806 0.493 -2.891 52 HD1 PHE 27 HD1 PHE 27 -28.909 -0.909 -4.257 53 HD2 PHE 27 HD2 PHE 27 -32.846 0.394 -5.221 54 HE1 PHE 27 HE1 PHE 27 -28.958 -2.471 -6.161 55 HE2 PHE 27 HE2 PHE 27 -32.899 -1.162 -7.126 56 HZ PHE 27 HZ PHE 27 -30.953 -2.593 -7.599 57 H GLY 28 H GLY 28 -27.048 1.416 -3.876 58 H SER 29 H SER 29 -26.099 3.084 -3.223 59 HA SER 29 HA SER 29 -24.409 5.296 -3.769 60 HG SER 29 HG SER 29 -24.154 6.385 -1.858 61 H SER 30 H SER 30 -22.056 5.004 -2.592 62 HA SER 30 HA SER 30 -20.718 2.585 -3.398 63 HG SER 30 HG SER 30 -20.629 5.493 -6.082 64 H ILE 31 H ILE 31 -18.836 2.269 -2.331 65 HA ILE 31 HA ILE 31 -18.041 4.382 -0.442 66 HB ILE 31 HB ILE 31 -16.948 1.692 0.017 67 H THR 32 H THR 32 -15.641 4.219 0.196 68 HA THR 32 HA THR 32 -13.980 3.516 -2.122 69 HB THR 32 HB THR 32 -13.073 5.923 -0.724 70 HG1 THR 32 HG1 THR 32 -15.440 6.093 -2.273 71 H TYR 33 H TYR 33 -12.529 2.084 -1.484 72 HA TYR 33 HA TYR 33 -11.725 2.003 1.317 73 HD1 TYR 33 HD1 TYR 33 -14.083 0.061 -0.501 74 HD2 TYR 33 HD2 TYR 33 -11.158 -1.079 2.375 75 HE1 TYR 33 HE1 TYR 33 -15.813 -1.125 0.785 76 HE2 TYR 33 HE2 TYR 33 -12.881 -2.266 3.667 77 HH TYR 33 HH TYR 33 -16.282 -2.068 2.814 78 H SER 34 H SER 34 -9.705 2.378 2.074 79 HA SER 34 HA SER 34 -7.529 2.862 0.182 80 HG SER 34 HG SER 34 -7.317 6.014 0.107 81 H CYS 35 H CYS 35 -5.418 3.257 1.437 82 HA CYS 35 HA CYS 35 -5.255 1.206 3.491 83 H ASN 36 H ASN 36 -3.849 1.584 5.392 84 HA ASN 36 HA ASN 36 -4.778 3.756 6.911 85 H SER 37 H SER 37 -1.309 3.177 6.566 86 HA SER 37 HA SER 37 -0.842 5.774 5.393 87 HG SER 37 HG SER 37 -1.496 7.234 7.994 88 H GLY 38 H GLY 38 1.035 5.826 4.273 89 H TYR 39 H TYR 39 0.445 3.486 3.250 90 HA TYR 39 HA TYR 39 1.644 0.892 2.528 91 HD1 TYR 39 HD1 TYR 39 1.954 1.075 4.813 92 HD2 TYR 39 HD2 TYR 39 -1.470 -1.398 4.318 93 HE1 TYR 39 HE1 TYR 39 2.797 -0.429 6.567 94 HE2 TYR 39 HE2 TYR 39 -0.641 -2.909 6.072 95 HH TYR 39 HH TYR 39 1.129 -2.430 8.229 96 H HIS 40 H HIS 40 0.157 -0.281 0.883 97 HA HIS 40 HA HIS 40 -0.902 1.583 -1.101 98 HD1 HIS 40 HD1 HIS 40 1.242 -1.295 -4.151 99 HD2 HIS 40 HD2 HIS 40 1.026 -1.953 -0.056 100 HE1 HIS 40 HE1 HIS 40 1.850 -3.714 -3.826 101 HE2 HIS 40 HE2 HIS 40 1.713 -4.091 -1.339 102 H LEU 41 H LEU 41 -2.869 1.007 -1.713 103 HA LEU 41 HA LEU 41 -3.981 -1.482 -0.787 104 HG LEU 41 HG LEU 41 -6.395 -1.688 -1.094 105 H ILE 42 H ILE 42 -4.776 -3.149 -2.031 106 HA ILE 42 HA ILE 42 -4.067 -3.061 -4.887 107 HB ILE 42 HB ILE 42 -4.023 -5.691 -3.499 108 H GLY 43 H GLY 43 -5.359 -4.297 -6.302 109 H GLU 44 H GLU 44 -9.689 -4.603 -5.039 110 HA GLU 44 HA GLU 44 -10.449 -2.367 -6.721 111 H SER 45 H SER 45 -11.530 -0.470 -5.630 112 HA SER 45 HA SER 45 -10.510 0.223 -3.007 113 HG SER 45 HG SER 45 -8.803 1.764 -6.253 114 H LYS 46 H LYS 46 -13.091 -0.162 -4.536 115 HA LYS 46 HA LYS 46 -14.524 1.981 -3.328 116 H SER 47 H SER 47 -16.371 1.130 -2.636 117 HA SER 47 HA SER 47 -17.320 -1.348 -3.887 118 HG SER 47 HG SER 47 -17.297 -0.221 -0.069 119 H TYR 48 H TYR 48 -19.614 -1.675 -4.171 120 HA TYR 48 HA TYR 48 -21.078 0.881 -4.405 121 HD1 TYR 48 HD1 TYR 48 -19.328 1.827 -6.003 122 HD2 TYR 48 HD2 TYR 48 -19.763 -1.980 -7.838 123 HE1 TYR 48 HE1 TYR 48 -17.088 2.057 -7.000 124 HE2 TYR 48 HE2 TYR 48 -17.529 -1.772 -8.835 125 HH TYR 48 HH TYR 48 -15.770 1.194 -8.792 126 H CYS 49 H CYS 49 -22.954 0.893 -3.482 127 HA CYS 49 HA CYS 49 -24.123 -1.450 -2.358 128 H GLU 50 H GLU 50 -24.670 -2.912 -3.900 129 HA GLU 50 HA GLU 50 -26.824 -2.088 -5.728 130 H LEU 51 H LEU 51 -27.933 -4.053 -6.659 131 HA LEU 51 HA LEU 51 -29.166 -5.450 -4.537 132 HG LEU 51 HG LEU 51 -30.985 -4.347 -5.581 133 H GLY 52 H GLY 52 -29.373 -7.797 -4.373 134 H SER 53 H SER 53 -29.012 -11.367 -4.037 135 HA SER 53 HA SER 53 -29.315 -12.111 -6.873 136 HG SER 53 HG SER 53 -28.249 -15.215 -6.705 137 H THR 54 H THR 54 -30.646 -12.512 -3.605 138 HA THR 54 HA THR 54 -33.214 -13.321 -4.729 139 HB THR 54 HB THR 54 -33.843 -13.932 -2.506 140 HG1 THR 54 HG1 THR 54 -32.681 -13.318 -0.718 141 H GLY 55 H GLY 55 -32.753 -10.816 -5.511 142 H SER 56 H SER 56 -31.638 -9.198 -3.463 143 HA SER 56 HA SER 56 -32.626 -7.486 -1.277 144 HG SER 56 HG SER 56 -31.098 -8.609 1.175 145 H MET 57 H MET 57 -30.753 -6.299 -0.165 146 HA MET 57 HA MET 57 -29.203 -4.986 -2.265 147 H VAL 58 H VAL 58 -27.104 -5.285 -2.472 148 HA VAL 58 HA VAL 58 -25.565 -6.293 -0.176 149 HB VAL 58 HB VAL 58 -24.226 -7.676 -1.630 150 H TRP 59 H TRP 59 -23.040 -6.205 -1.206 151 HA TRP 59 HA TRP 59 -22.706 -3.418 -2.089 152 HD1 TRP 59 HD1 TRP 59 -23.374 -4.247 1.830 153 HE1 TRP 59 HE1 TRP 59 -24.283 -2.024 2.765 154 HE3 TRP 59 HE3 TRP 59 -20.956 -1.015 -1.296 155 HZ2 TRP 59 HZ2 TRP 59 -23.993 0.741 2.238 156 HZ3 TRP 59 HZ3 TRP 59 -21.317 1.401 -1.015 157 HH2 TRP 59 HH2 TRP 59 -22.806 2.255 0.709 158 H ASN 60 H ASN 60 -21.353 -3.108 -3.726 159 HA ASN 60 HA ASN 60 -20.018 -5.340 -4.963 160 HA PRO 61 HA PRO 61 -15.718 -5.533 -4.095 161 H GLU 62 H GLU 62 -15.919 -5.166 -1.926 162 HA GLU 62 HA GLU 62 -15.732 -2.424 -0.950 163 H ALA 63 H ALA 63 -14.559 -5.004 1.058 164 HA ALA 63 HA ALA 63 -12.151 -3.638 1.589 165 HA PRO 64 HA PRO 64 -9.817 -5.713 -1.701 166 H ILE 65 H ILE 65 -7.063 -5.083 -1.856 167 HA ILE 65 HA ILE 65 -6.110 -6.371 0.585 168 HB ILE 65 HB ILE 65 -4.204 -5.732 -1.579 169 H CYS 66 H CYS 66 -3.806 -5.615 1.213 170 HA CYS 66 HA CYS 66 -3.098 -2.914 0.852 171 H GLU 67 H GLU 67 -1.091 -2.471 1.672 172 HA GLU 67 HA GLU 67 0.113 -3.923 3.787 173 H SER 68 H SER 68 2.575 -3.484 3.801 174 HA SER 68 HA SER 68 2.907 -0.645 3.402 175 HG SER 68 HG SER 68 5.284 -3.387 5.080 176 H VAL 69 H VAL 69 3.835 0.305 1.728 177 HA VAL 69 HA VAL 69 4.418 -0.785 -0.662 178 HB VAL 69 HB VAL 69 6.127 1.143 -0.934 179 H LYS 70 H LYS 70 5.497 -2.669 -0.760 180 HA LYS 70 HA LYS 70 7.866 -3.265 0.635 181 H CYS 71 H CYS 71 9.933 -2.866 0.236 182 HA CYS 71 HA CYS 71 10.680 -1.840 -2.420 183 H GLN 72 H GLN 72 11.815 -3.271 -3.500 184 HA GLN 72 HA GLN 72 12.926 -5.572 -2.291 185 H SER 73 H SER 73 15.349 -5.915 -3.646 186 HA SER 73 HA SER 73 17.217 -5.088 -1.863 187 HG SER 73 HG SER 73 19.013 -4.481 -4.835 188 HA PRO 74 HA PRO 74 17.570 -0.680 -2.255 189 HA PRO 75 HA PRO 75 19.273 0.537 -6.111 190 H SER 76 H SER 76 21.106 0.326 -7.436 191 HA SER 76 HA SER 76 23.274 -1.257 -6.231 192 HG SER 76 HG SER 76 21.211 -2.857 -8.909 193 H ILE 77 H ILE 77 24.578 0.486 -5.646 194 HA ILE 77 HA ILE 77 25.276 2.591 -7.408 195 HB ILE 77 HB ILE 77 26.984 3.186 -5.796 196 H SER 78 H SER 78 27.794 2.999 -7.678 197 HA SER 78 HA SER 78 28.788 0.712 -9.221 198 HG SER 78 HG SER 78 27.756 3.689 -10.234 199 H ASN 79 H ASN 79 30.867 -0.084 -8.951 200 HA ASN 79 HA ASN 79 32.706 -0.727 -7.788 201 H GLY 80 H GLY 80 30.040 -0.839 -6.528 202 H ARG 81 H ARG 81 28.528 -1.611 -2.554 203 HA ARG 81 HA ARG 81 26.348 -2.585 -4.115 204 HE ARG 81 HE ARG 81 31.170 -6.433 -2.521 205 1HH1 ARG 81 1HH1 ARG 81 27.931 -6.936 -1.343 206 1HH2 ARG 81 1HH2 ARG 81 31.854 -7.531 -0.646 207 H HIS 82 H HIS 82 24.905 -3.996 -2.458 208 HA HIS 82 HA HIS 82 24.715 -2.353 -0.026 209 HD1 HIS 82 HD1 HIS 82 22.352 -5.741 -0.689 210 HD2 HIS 82 HD2 HIS 82 22.009 -2.985 -3.781 211 HE1 HIS 82 HE1 HIS 82 21.461 -7.038 -2.650 212 HE2 HIS 82 HE2 HIS 82 21.261 -5.351 -4.511 213 H ASN 83 H ASN 83 23.658 -3.498 1.839 214 HA ASN 83 HA ASN 83 24.951 -6.095 2.168 215 H GLY 84 H GLY 84 21.981 -5.076 3.775 216 H TYR 85 H TYR 85 18.999 -7.835 4.696 217 HA TYR 85 HA TYR 85 20.571 -10.314 4.545 218 HD1 TYR 85 HD1 TYR 85 19.747 -7.196 6.695 219 HD2 TYR 85 HD2 TYR 85 21.823 -10.797 7.585 220 HE1 TYR 85 HE1 TYR 85 21.516 -5.893 7.798 221 HE2 TYR 85 HE2 TYR 85 23.600 -9.508 8.694 222 HH TYR 85 HH TYR 85 23.375 -6.659 9.820 223 H GLU 86 H GLU 86 17.444 -8.862 4.179 224 HA GLU 86 HA GLU 86 16.221 -11.438 3.540 225 H ASP 87 H ASP 87 14.317 -10.808 1.750 226 HA ASP 87 HA ASP 87 15.888 -10.061 -0.609 227 H PHE 88 H PHE 88 13.260 -9.045 1.352 228 HA PHE 88 HA PHE 88 12.761 -6.837 -0.515 229 HD1 PHE 88 HD1 PHE 88 11.348 -9.914 -1.491 230 HD2 PHE 88 HD2 PHE 88 9.739 -5.979 -1.399 231 HE1 PHE 88 HE1 PHE 88 10.712 -10.124 -3.856 232 HE2 PHE 88 HE2 PHE 88 9.102 -6.178 -3.759 233 HZ PHE 88 HZ PHE 88 9.585 -8.254 -4.999 234 H TYR 89 H TYR 89 11.311 -5.135 0.703 235 HA TYR 89 HA TYR 89 11.956 -4.908 3.522 236 HD1 TYR 89 HD1 TYR 89 14.262 -4.717 0.398 237 HD2 TYR 89 HD2 TYR 89 14.812 -3.675 4.488 238 HE1 TYR 89 HE1 TYR 89 16.433 -5.867 0.393 239 HE2 TYR 89 HE2 TYR 89 16.987 -4.824 4.491 240 HH TYR 89 HH TYR 89 18.023 -6.798 1.831 241 H THR 90 H THR 90 10.872 -3.039 4.532 242 HA THR 90 HA THR 90 8.552 -2.136 2.958 243 HB THR 90 HB THR 90 7.233 -2.267 5.103 244 HG1 THR 90 HG1 THR 90 8.956 -2.392 6.561 245 H ASP 91 H ASP 91 7.342 -0.407 4.499 246 HA ASP 91 HA ASP 91 9.017 1.864 4.459 247 H GLY 92 H GLY 92 10.752 1.643 5.742 248 H SER 93 H SER 93 12.437 0.745 5.995 249 HA SER 93 HA SER 93 13.937 -1.016 7.816 250 HG SER 93 HG SER 93 11.724 -1.640 6.150 251 H VAL 94 H VAL 94 16.242 -1.309 7.320 252 HA VAL 94 HA VAL 94 17.449 0.976 5.938 253 HB VAL 94 HB VAL 94 18.187 0.043 8.713 254 H VAL 95 H VAL 95 19.544 0.648 5.158 255 HA VAL 95 HA VAL 95 20.700 -2.025 5.365 256 HB VAL 95 HB VAL 95 20.186 -0.775 2.671 257 H THR 96 H THR 96 22.907 -2.104 4.891 258 HA THR 96 HA THR 96 24.190 0.535 4.707 259 HB THR 96 HB THR 96 26.111 -1.279 5.599 260 HG1 THR 96 HG1 THR 96 23.711 -1.689 7.046 261 H TYR 97 H TYR 97 25.287 0.979 2.937 262 HA TYR 97 HA TYR 97 25.696 -1.047 0.937 263 HD1 TYR 97 HD1 TYR 97 23.467 0.761 1.353 264 HD2 TYR 97 HD2 TYR 97 25.737 1.262 -2.209 265 HE1 TYR 97 HE1 TYR 97 21.396 0.758 0.044 266 HE2 TYR 97 HE2 TYR 97 23.664 1.267 -3.530 267 HH TYR 97 HH TYR 97 20.912 1.912 -2.637 268 H SER 98 H SER 98 27.765 -1.483 -0.088 269 HA SER 98 HA SER 98 30.139 -0.872 1.487 270 HG SER 98 HG SER 98 28.784 -4.193 0.383 271 H CYS 99 H CYS 99 32.076 -1.121 0.397 272 HA CYS 99 HA CYS 99 32.018 -0.903 -2.396 273 H ASN 100 H ASN 100 32.990 -2.255 -3.988 274 HA ASN 100 HA ASN 100 32.290 -4.989 -3.647 275 H SER 101 H SER 101 35.357 -4.161 -5.174 276 HA SER 101 HA SER 101 36.591 -6.417 -3.918 277 HG SER 101 HG SER 101 37.572 -6.631 -6.906 278 H GLY 102 H GLY 102 37.023 -2.896 -3.716 279 H TYR 103 H TYR 103 36.259 -1.363 -2.875 280 HA TYR 103 HA TYR 103 37.567 1.116 -3.353 281 HD1 TYR 103 HD1 TYR 103 36.646 -0.671 -5.736 282 HD2 TYR 103 HD2 TYR 103 35.064 3.182 -4.965 283 HE1 TYR 103 HE1 TYR 103 37.178 0.000 -8.046 284 HE2 TYR 103 HE2 TYR 103 35.584 3.879 -7.267 285 HH TYR 103 HH TYR 103 37.637 2.208 -9.258 286 H SER 104 H SER 104 35.606 2.959 -2.443 287 HA SER 104 HA SER 104 35.486 2.599 0.455 288 HG SER 104 HG SER 104 36.417 3.881 1.865 289 H LEU 105 H LEU 105 33.474 2.913 1.011 290 HA LEU 105 HA LEU 105 31.483 3.916 -0.604 291 HG LEU 105 HG LEU 105 29.501 3.464 -0.038 292 H ILE 106 H ILE 106 30.466 5.736 -0.800 293 HA ILE 106 HA ILE 106 31.600 8.123 0.465 294 HB ILE 106 HB ILE 106 30.132 7.783 -2.147 295 H GLY 107 H GLY 107 30.076 9.848 0.978 296 H ASN 108 H ASN 108 26.012 8.298 2.175 297 HA ASN 108 HA ASN 108 27.071 7.287 4.732 298 H SER 109 H SER 109 27.041 5.148 5.004 299 HA SER 109 HA SER 109 26.375 3.424 2.867 300 HG SER 109 HG SER 109 27.117 0.701 4.330 301 H GLY 110 H GLY 110 24.664 4.474 5.717 302 H VAL 111 H VAL 111 20.702 2.356 4.732 303 HA VAL 111 HA VAL 111 19.783 4.614 3.097 304 HB VAL 111 HB VAL 111 19.496 1.820 2.094 305 H LEU 112 H LEU 112 17.799 5.170 3.732 306 HA LEU 112 HA LEU 112 16.217 3.398 5.350 307 HG LEU 112 HG LEU 112 13.551 5.066 4.593 308 H CYS 113 H CYS 113 14.688 2.054 4.710 309 HA CYS 113 HA CYS 113 13.760 2.139 1.942 310 H SER 114 H SER 114 12.151 3.558 1.681 311 HA SER 114 HA SER 114 9.767 3.257 3.317 312 HG SER 114 HG SER 114 10.224 5.551 5.478 313 H GLY 115 H GLY 115 7.935 4.500 2.466 314 H GLY 116 H GLY 116 8.219 2.426 0.471 315 H GLU 117 H GLU 117 10.284 3.300 -0.838 316 HA GLU 117 HA GLU 117 12.044 2.525 -3.037 317 H TRP 118 H TRP 118 14.188 3.946 -2.708 318 HA TRP 118 HA TRP 118 14.889 3.684 0.137 319 HD1 TRP 118 HD1 TRP 118 15.142 1.048 -3.029 320 HE1 TRP 118 HE1 TRP 118 14.896 -1.282 -1.964 321 HE3 TRP 118 HE3 TRP 118 17.139 2.039 1.572 322 HZ2 TRP 118 HZ2 TRP 118 15.476 -2.534 0.493 323 HZ3 TRP 118 HZ3 TRP 118 17.252 0.221 3.224 324 HH2 TRP 118 HH2 TRP 118 16.439 -2.022 2.692 325 H SER 119 H SER 119 16.086 5.284 1.104 326 HA SER 119 HA SER 119 16.640 7.668 -0.530 327 HG SER 119 HG SER 119 13.802 7.378 1.581 328 H ASP 120 H ASP 120 18.439 8.892 0.016 329 HA ASP 120 HA ASP 120 20.502 9.361 0.841 330 HA PRO 121 HA PRO 121 21.987 5.091 -0.564 331 HA PRO 122 HA PRO 122 25.825 7.336 -1.022 332 H THR 123 H THR 123 28.123 6.565 -1.683 333 HA THR 123 HA THR 123 28.061 4.996 -4.172 334 HB THR 123 HB THR 123 30.007 7.170 -4.214 335 HG1 THR 123 HG1 THR 123 27.252 7.818 -4.106 336 H CYS 124 H CYS 124 30.646 5.081 -4.792 337 HA CYS 124 HA CYS 124 32.187 4.554 -2.456 338 H GLN 125 H GLN 125 33.849 5.541 -3.013 339 HA GLN 125 HA GLN 125 35.039 5.127 -5.668 340 H ILE 126 H ILE 126 37.305 4.966 -5.788 341 HA ILE 126 HA ILE 126 38.430 3.323 -3.779 342 HB ILE 126 HB ILE 126 39.510 4.566 -6.282 No H/Q in entry = 342 Start of MODEL 34 1 H ARG 7 H ARG 7 -34.601 1.801 1.280 2 HA ARG 7 HA ARG 7 -33.654 4.394 2.196 3 HE ARG 7 HE ARG 7 -36.243 4.238 5.622 4 1HH1 ARG 7 1HH1 ARG 7 -34.553 2.297 7.968 5 1HH2 ARG 7 1HH2 ARG 7 -37.102 5.366 7.411 6 H ARG 8 H ARG 8 -31.325 4.412 3.044 7 HA ARG 8 HA ARG 8 -29.587 3.931 0.809 8 HE ARG 8 HE ARG 8 -28.750 6.572 4.822 9 1HH1 ARG 8 1HH1 ARG 8 -28.234 9.781 3.572 10 1HH2 ARG 8 1HH2 ARG 8 -28.275 7.464 6.867 11 H CYS 9 H CYS 9 -27.340 2.976 1.304 12 HA CYS 9 HA CYS 9 -27.758 0.286 2.284 13 HA PRO 10 HA PRO 10 -25.902 0.729 6.235 14 H SER 11 H SER 11 -23.820 0.759 7.448 15 HA SER 11 HA SER 11 -21.962 2.444 6.312 16 HG SER 11 HG SER 11 -19.642 1.923 8.608 17 HA PRO 12 HA PRO 12 -20.117 -0.563 3.457 18 H ARG 13 H ARG 13 -18.261 -1.743 3.570 19 HA ARG 13 HA ARG 13 -16.801 -1.922 5.868 20 HE ARG 13 HE ARG 13 -15.816 -6.234 6.238 21 1HH1 ARG 13 1HH1 ARG 13 -12.990 -6.178 4.203 22 1HH2 ARG 13 1HH2 ARG 13 -14.747 -7.877 7.405 23 H ASP 14 H ASP 14 -15.436 -0.743 6.860 24 HA ASP 14 HA ASP 14 -14.410 1.678 5.780 25 H ILE 15 H ILE 15 -13.332 -1.458 5.512 26 HA ILE 15 HA ILE 15 -11.388 -2.495 4.982 27 HB ILE 15 HB ILE 15 -11.675 -0.989 3.015 28 H ASP 16 H ASP 16 -9.049 -2.636 5.315 29 HA ASP 16 HA ASP 16 -8.251 -1.152 7.715 30 H ASN 17 H ASN 17 -5.987 -0.449 7.826 31 HA ASN 17 HA ASN 17 -4.434 1.023 6.989 32 H GLY 18 H GLY 18 -7.132 1.388 5.900 33 H GLN 19 H GLN 19 -8.476 4.107 2.694 34 HA GLN 19 HA GLN 19 -10.390 4.696 4.821 35 H LEU 20 H LEU 20 -12.416 5.194 4.083 36 HA LEU 20 HA LEU 20 -12.870 4.781 1.258 37 HG LEU 20 HG LEU 20 -14.403 2.765 1.621 38 H ASP 21 H ASP 21 -14.213 6.104 -0.017 39 HA ASP 21 HA ASP 21 -14.368 8.926 0.813 40 H ILE 22 H ILE 22 -16.503 8.314 1.524 41 HA ILE 22 HA ILE 22 -18.404 7.243 -0.303 42 HB ILE 22 HB ILE 22 -19.266 8.685 2.159 43 H GLY 23 H GLY 23 -19.070 8.334 -1.991 44 H GLY 24 H GLY 24 -21.311 8.532 -1.079 45 H VAL 25 H VAL 25 -24.935 7.656 -0.308 46 HA VAL 25 HA VAL 25 -23.979 4.876 -0.514 47 HB VAL 25 HB VAL 25 -24.708 4.560 1.828 48 H ASP 26 H ASP 26 -26.090 6.090 -2.098 49 HA ASP 26 HA ASP 26 -28.478 4.777 -1.011 50 H PHE 27 H PHE 27 -29.703 3.328 -2.271 51 HA PHE 27 HA PHE 27 -28.328 1.317 -3.540 52 HD1 PHE 27 HD1 PHE 27 -28.714 -0.445 -4.667 53 HD2 PHE 27 HD2 PHE 27 -32.744 0.865 -5.069 54 HE1 PHE 27 HE1 PHE 27 -29.123 -2.216 -6.328 55 HE2 PHE 27 HE2 PHE 27 -33.157 -0.901 -6.732 56 HZ PHE 27 HZ PHE 27 -31.345 -2.441 -7.364 57 H GLY 28 H GLY 28 -26.850 2.057 -5.046 58 H SER 29 H SER 29 -25.783 3.678 -5.035 59 HA SER 29 HA SER 29 -24.289 5.607 -6.636 60 HG SER 29 HG SER 29 -25.398 7.447 -4.864 61 H SER 30 H SER 30 -21.958 5.770 -5.097 62 HA SER 30 HA SER 30 -20.728 3.186 -4.915 63 HG SER 30 HG SER 30 -20.387 5.961 -6.996 64 H ILE 31 H ILE 31 -18.615 3.249 -4.031 65 HA ILE 31 HA ILE 31 -17.946 5.831 -2.771 66 HB ILE 31 HB ILE 31 -16.822 3.368 -1.583 67 H THR 32 H THR 32 -15.508 5.789 -2.039 68 HA THR 32 HA THR 32 -13.874 4.595 -4.171 69 HB THR 32 HB THR 32 -12.932 7.199 -3.175 70 HG1 THR 32 HG1 THR 32 -15.297 6.971 -4.714 71 H TYR 33 H TYR 33 -12.376 3.315 -3.332 72 HA TYR 33 HA TYR 33 -11.660 3.645 -0.524 73 HD1 TYR 33 HD1 TYR 33 -14.019 1.899 -2.088 74 HD2 TYR 33 HD2 TYR 33 -11.383 0.504 0.936 75 HE1 TYR 33 HE1 TYR 33 -15.949 1.124 -0.775 76 HE2 TYR 33 HE2 TYR 33 -13.307 -0.285 2.258 77 HH TYR 33 HH TYR 33 -15.558 -0.811 2.099 78 H SER 34 H SER 34 -9.621 3.820 0.260 79 HA SER 34 HA SER 34 -7.363 3.996 -1.566 80 HG SER 34 HG SER 34 -6.450 6.701 -1.957 81 H CYS 35 H CYS 35 -5.284 4.273 -0.317 82 HA CYS 35 HA CYS 35 -5.388 2.540 1.997 83 H ASN 36 H ASN 36 -4.195 3.045 3.968 84 HA ASN 36 HA ASN 36 -5.075 5.429 5.131 85 H SER 37 H SER 37 -1.628 4.698 5.307 86 HA SER 37 HA SER 37 -0.919 7.079 3.828 87 HG SER 37 HG SER 37 0.865 8.696 6.517 88 H GLY 38 H GLY 38 0.979 6.834 2.844 89 H TYR 39 H TYR 39 0.414 4.456 2.101 90 HA TYR 39 HA TYR 39 1.542 1.747 1.832 91 HD1 TYR 39 HD1 TYR 39 1.569 2.201 4.107 92 HD2 TYR 39 HD2 TYR 39 -1.906 -0.164 3.445 93 HE1 TYR 39 HE1 TYR 39 2.084 0.892 6.123 94 HE2 TYR 39 HE2 TYR 39 -1.401 -1.480 5.458 95 HH TYR 39 HH TYR 39 0.541 -0.559 7.820 96 H HIS 40 H HIS 40 -0.178 0.532 0.221 97 HA HIS 40 HA HIS 40 -0.706 2.187 -2.102 98 HD1 HIS 40 HD1 HIS 40 1.441 -1.195 -4.548 99 HD2 HIS 40 HD2 HIS 40 0.851 -1.325 -0.440 100 HE1 HIS 40 HE1 HIS 40 1.819 -3.592 -3.890 101 HE2 HIS 40 HE2 HIS 40 1.457 -3.648 -1.398 102 H LEU 41 H LEU 41 -2.747 1.784 -2.553 103 HA LEU 41 HA LEU 41 -4.026 -0.638 -1.671 104 HG LEU 41 HG LEU 41 -6.499 -0.706 -2.442 105 H ILE 42 H ILE 42 -4.101 -2.445 -2.802 106 HA ILE 42 HA ILE 42 -3.706 -2.295 -5.711 107 HB ILE 42 HB ILE 42 -3.610 -4.914 -4.295 108 H GLY 43 H GLY 43 -5.006 -3.599 -7.085 109 H GLU 44 H GLU 44 -9.312 -3.980 -5.773 110 HA GLU 44 HA GLU 44 -10.311 -2.011 -7.578 111 H SER 45 H SER 45 -11.696 -0.237 -6.515 112 HA SER 45 HA SER 45 -10.638 1.065 -4.197 113 HG SER 45 HG SER 45 -9.122 1.767 -7.689 114 H LYS 46 H LYS 46 -13.217 0.163 -5.410 115 HA LYS 46 HA LYS 46 -14.754 2.466 -4.708 116 H SER 47 H SER 47 -16.522 1.753 -3.728 117 HA SER 47 HA SER 47 -17.499 -0.968 -4.206 118 HG SER 47 HG SER 47 -19.490 -1.219 -2.660 119 H TYR 48 H TYR 48 -19.756 -1.379 -4.712 120 HA TYR 48 HA TYR 48 -21.141 1.076 -5.616 121 HD1 TYR 48 HD1 TYR 48 -19.281 1.381 -7.199 122 HD2 TYR 48 HD2 TYR 48 -20.116 -2.633 -8.320 123 HE1 TYR 48 HE1 TYR 48 -17.047 1.209 -8.215 124 HE2 TYR 48 HE2 TYR 48 -17.884 -2.826 -9.337 125 HH TYR 48 HH TYR 48 -15.449 -0.416 -8.885 126 H CYS 49 H CYS 49 -22.647 1.439 -4.230 127 HA CYS 49 HA CYS 49 -23.949 -0.431 -2.608 128 H GLU 50 H GLU 50 -24.908 -2.131 -3.552 129 HA GLU 50 HA GLU 50 -27.034 -1.549 -5.505 130 H LEU 51 H LEU 51 -28.267 -3.941 -5.665 131 HA LEU 51 HA LEU 51 -29.476 -4.162 -3.017 132 HG LEU 51 HG LEU 51 -29.683 -6.183 -5.961 133 H GLY 52 H GLY 52 -29.922 -6.188 -2.045 134 H SER 53 H SER 53 -29.688 -10.312 -1.596 135 HA SER 53 HA SER 53 -30.273 -11.169 -4.327 136 HG SER 53 HG SER 53 -31.045 -14.290 -2.948 137 H THR 54 H THR 54 -31.851 -10.723 -1.199 138 HA THR 54 HA THR 54 -34.449 -11.297 -2.438 139 HB THR 54 HB THR 54 -35.229 -11.137 0.011 140 HG1 THR 54 HG1 THR 54 -33.595 -10.291 1.114 141 H GLY 55 H GLY 55 -33.097 -8.881 -3.096 142 H SER 56 H SER 56 -32.150 -7.702 -1.066 143 HA SER 56 HA SER 56 -32.714 -5.754 1.001 144 HG SER 56 HG SER 56 -30.573 -7.020 3.136 145 H MET 57 H MET 57 -30.082 -5.186 1.814 146 HA MET 57 HA MET 57 -29.169 -3.434 -0.369 147 H VAL 58 H VAL 58 -27.071 -3.521 -0.925 148 HA VAL 58 HA VAL 58 -25.129 -4.760 0.851 149 HB VAL 58 HB VAL 58 -24.312 -6.158 -1.156 150 H TRP 59 H TRP 59 -22.908 -4.778 -0.311 151 HA TRP 59 HA TRP 59 -22.657 -2.332 -1.931 152 HD1 TRP 59 HD1 TRP 59 -22.796 -2.131 2.152 153 HE1 TRP 59 HE1 TRP 59 -23.543 0.292 2.602 154 HE3 TRP 59 HE3 TRP 59 -20.819 0.115 -1.993 155 HZ2 TRP 59 HZ2 TRP 59 -23.319 2.820 1.361 156 HZ3 TRP 59 HZ3 TRP 59 -21.123 2.538 -2.285 157 HH2 TRP 59 HH2 TRP 59 -22.347 3.853 -0.646 158 H ASN 60 H ASN 60 -21.675 -2.631 -3.813 159 HA ASN 60 HA ASN 60 -20.531 -5.138 -4.555 160 HA PRO 61 HA PRO 61 -16.132 -5.390 -4.042 161 H GLU 62 H GLU 62 -16.366 -4.260 -2.062 162 HA GLU 62 HA GLU 62 -15.951 -1.399 -2.088 163 H ALA 63 H ALA 63 -14.642 -3.359 0.502 164 HA ALA 63 HA ALA 63 -12.222 -1.911 0.500 165 HA PRO 64 HA PRO 64 -10.236 -4.684 -2.481 166 H ILE 65 H ILE 65 -7.418 -4.133 -2.896 167 HA ILE 65 HA ILE 65 -6.417 -5.251 -0.419 168 HB ILE 65 HB ILE 65 -4.624 -4.623 -2.698 169 H CYS 66 H CYS 66 -4.399 -4.462 0.534 170 HA CYS 66 HA CYS 66 -3.422 -1.858 -0.003 171 H GLU 67 H GLU 67 -1.411 -1.717 0.757 172 HA GLU 67 HA GLU 67 -0.643 -2.998 3.232 173 H SER 68 H SER 68 1.870 -2.720 3.474 174 HA SER 68 HA SER 68 2.398 0.094 2.970 175 HG SER 68 HG SER 68 4.542 -2.559 4.995 176 H VAL 69 H VAL 69 3.543 0.773 1.292 177 HA VAL 69 HA VAL 69 4.502 -0.674 -0.780 178 HB VAL 69 HB VAL 69 6.214 1.209 -1.100 179 H LYS 70 H LYS 70 5.553 -2.567 -0.270 180 HA LYS 70 HA LYS 70 7.815 -2.613 1.487 181 H CYS 71 H CYS 71 9.944 -2.788 1.021 182 HA CYS 71 HA CYS 71 10.729 -2.532 -1.808 183 H GLN 72 H GLN 72 11.832 -4.210 -2.566 184 HA GLN 72 HA GLN 72 12.609 -6.349 -0.889 185 H SER 73 H SER 73 15.056 -7.185 -1.935 186 HA SER 73 HA SER 73 16.878 -6.128 -0.183 187 HG SER 73 HG SER 73 19.524 -7.616 -1.839 188 HA PRO 74 HA PRO 74 17.797 -2.070 -1.701 189 HA PRO 75 HA PRO 75 19.787 -2.326 -5.596 190 H SER 76 H SER 76 21.840 -2.688 -6.656 191 HA SER 76 HA SER 76 23.832 -3.845 -4.824 192 HG SER 76 HG SER 76 23.535 -5.381 -8.551 193 H ILE 77 H ILE 77 25.057 -1.971 -4.615 194 HA ILE 77 HA ILE 77 25.947 -0.420 -6.810 195 HB ILE 77 HB ILE 77 27.511 0.621 -5.278 196 H SER 78 H SER 78 28.404 -0.083 -7.133 197 HA SER 78 HA SER 78 29.487 -2.690 -7.864 198 HG SER 78 HG SER 78 29.245 0.670 -9.470 199 H ASN 79 H ASN 79 31.236 -3.591 -6.996 200 HA ASN 79 HA ASN 79 33.000 -3.973 -5.624 201 H GLY 80 H GLY 80 30.260 -3.582 -4.623 202 H ARG 81 H ARG 81 28.718 -3.440 -0.517 203 HA ARG 81 HA ARG 81 26.519 -4.752 -1.877 204 HE ARG 81 HE ARG 81 29.766 -7.435 2.368 205 1HH1 ARG 81 1HH1 ARG 81 29.185 -10.106 0.207 206 1HH2 ARG 81 1HH2 ARG 81 30.260 -9.018 3.934 207 H HIS 82 H HIS 82 24.908 -5.440 0.093 208 HA HIS 82 HA HIS 82 24.754 -3.050 1.807 209 HD1 HIS 82 HD1 HIS 82 22.252 -4.130 -1.786 210 HD2 HIS 82 HD2 HIS 82 21.870 -6.322 1.724 211 HE1 HIS 82 HE1 HIS 82 21.169 -6.297 -2.460 212 HE2 HIS 82 HE2 HIS 82 20.946 -7.609 -0.321 213 H ASN 83 H ASN 83 23.502 -3.310 3.785 214 HA ASN 83 HA ASN 83 24.153 -5.855 5.054 215 H GLY 84 H GLY 84 22.349 -6.104 7.056 216 H TYR 85 H TYR 85 20.517 -7.535 4.245 217 HA TYR 85 HA TYR 85 20.611 -9.508 3.227 218 HD1 TYR 85 HD1 TYR 85 22.719 -8.158 4.596 219 HD2 TYR 85 HD2 TYR 85 23.178 -12.366 4.182 220 HE1 TYR 85 HE1 TYR 85 25.006 -7.820 3.779 221 HE2 TYR 85 HE2 TYR 85 25.474 -12.039 3.361 222 HH TYR 85 HH TYR 85 26.719 -8.885 2.592 223 H GLU 86 H GLU 86 18.225 -8.296 4.268 224 HA GLU 86 HA GLU 86 16.574 -10.512 5.062 225 H ASP 87 H ASP 87 14.222 -10.129 3.798 226 HA ASP 87 HA ASP 87 14.931 -10.541 0.977 227 H PHE 88 H PHE 88 13.040 -8.702 3.183 228 HA PHE 88 HA PHE 88 12.239 -6.944 1.035 229 HD1 PHE 88 HD1 PHE 88 9.540 -6.200 -0.020 230 HD2 PHE 88 HD2 PHE 88 10.515 -10.267 0.746 231 HE1 PHE 88 HE1 PHE 88 8.851 -6.789 -2.300 232 HE2 PHE 88 HE2 PHE 88 9.827 -10.867 -1.535 233 HZ PHE 88 HZ PHE 88 8.991 -9.127 -3.067 234 H TYR 89 H TYR 89 11.274 -4.949 1.832 235 HA TYR 89 HA TYR 89 11.734 -4.358 4.654 236 HD1 TYR 89 HD1 TYR 89 14.023 -5.138 1.909 237 HD2 TYR 89 HD2 TYR 89 14.766 -2.830 5.405 238 HE1 TYR 89 HE1 TYR 89 16.113 -6.394 2.286 239 HE2 TYR 89 HE2 TYR 89 16.856 -4.074 5.788 240 HH TYR 89 HH TYR 89 18.460 -5.667 3.690 241 H THR 90 H THR 90 10.787 -2.204 5.248 242 HA THR 90 HA THR 90 8.479 -1.622 3.508 243 HB THR 90 HB THR 90 7.345 -1.023 5.764 244 HG1 THR 90 HG1 THR 90 8.270 -1.732 7.535 245 H ASP 91 H ASP 91 7.457 0.510 3.947 246 HA ASP 91 HA ASP 91 9.245 2.590 3.538 247 H GLY 92 H GLY 92 10.797 2.866 4.972 248 H SER 93 H SER 93 12.091 1.687 5.685 249 HA SER 93 HA SER 93 13.646 0.811 8.006 250 HG SER 93 HG SER 93 11.848 -1.557 6.970 251 H VAL 94 H VAL 94 15.954 0.333 7.645 252 HA VAL 94 HA VAL 94 17.205 1.934 5.550 253 HB VAL 94 HB VAL 94 17.752 2.285 8.498 254 H VAL 95 H VAL 95 19.267 1.283 4.982 255 HA VAL 95 HA VAL 95 20.356 -1.083 6.327 256 HB VAL 95 HB VAL 95 20.069 -0.862 3.331 257 H THR 96 H THR 96 22.599 -1.377 6.040 258 HA THR 96 HA THR 96 23.978 1.070 5.183 259 HB THR 96 HB THR 96 25.810 -0.400 6.646 260 HG1 THR 96 HG1 THR 96 24.560 -0.851 8.580 261 H TYR 97 H TYR 97 25.347 1.017 3.553 262 HA TYR 97 HA TYR 97 25.822 -1.532 2.230 263 HD1 TYR 97 HD1 TYR 97 23.426 0.135 1.905 264 HD2 TYR 97 HD2 TYR 97 25.949 -0.439 -1.472 265 HE1 TYR 97 HE1 TYR 97 21.474 -0.491 0.561 266 HE2 TYR 97 HE2 TYR 97 23.996 -1.067 -2.828 267 HH TYR 97 HH TYR 97 21.370 -0.502 -2.644 268 H SER 98 H SER 98 27.908 -2.128 1.458 269 HA SER 98 HA SER 98 30.205 -0.821 2.685 270 HG SER 98 HG SER 98 29.772 -4.726 3.595 271 H CYS 99 H CYS 99 32.072 -1.060 1.550 272 HA CYS 99 HA CYS 99 31.910 -2.066 -1.103 273 H ASN 100 H ASN 100 33.127 -3.782 -2.046 274 HA ASN 100 HA ASN 100 33.396 -6.055 -0.249 275 H SER 101 H SER 101 35.288 -5.041 -3.098 276 HA SER 101 HA SER 101 37.621 -6.375 -2.404 277 HG SER 101 HG SER 101 38.152 -6.077 -5.343 278 H GLY 102 H GLY 102 36.329 -3.421 -1.171 279 H TYR 103 H TYR 103 36.181 -1.496 -1.374 280 HA TYR 103 HA TYR 103 37.716 0.833 -1.910 281 HD1 TYR 103 HD1 TYR 103 36.929 2.351 -4.425 282 HD2 TYR 103 HD2 TYR 103 35.975 -1.772 -4.020 283 HE1 TYR 103 HE1 TYR 103 37.957 1.909 -6.612 284 HE2 TYR 103 HE2 TYR 103 37.000 -2.229 -6.208 285 HH TYR 103 HH TYR 103 38.938 0.049 -7.842 286 H SER 104 H SER 104 36.126 2.970 -1.715 287 HA SER 104 HA SER 104 35.705 3.240 1.183 288 HG SER 104 HG SER 104 38.423 4.567 0.574 289 H LEU 105 H LEU 105 33.584 2.994 1.521 290 HA LEU 105 HA LEU 105 31.433 3.384 -0.056 291 HG LEU 105 HG LEU 105 29.640 2.278 2.848 292 H ILE 106 H ILE 106 30.793 5.025 -1.236 293 HA ILE 106 HA ILE 106 31.525 7.749 -0.520 294 HB ILE 106 HB ILE 106 30.206 6.623 -2.984 295 H GLY 107 H GLY 107 29.946 9.442 -0.414 296 H ASN 108 H ASN 108 25.956 7.903 0.949 297 HA ASN 108 HA ASN 108 27.044 7.423 3.629 298 H SER 109 H SER 109 27.098 5.359 4.032 299 HA SER 109 HA SER 109 26.166 3.317 2.439 300 HG SER 109 HG SER 109 26.402 3.564 6.213 301 H GLY 110 H GLY 110 24.497 5.154 4.841 302 H VAL 111 H VAL 111 20.842 2.689 4.033 303 HA VAL 111 HA VAL 111 19.964 4.450 1.838 304 HB VAL 111 HB VAL 111 19.506 1.504 1.813 305 H LEU 112 H LEU 112 18.037 5.330 2.217 306 HA LEU 112 HA LEU 112 16.334 4.269 4.275 307 HG LEU 112 HG LEU 112 13.837 5.950 2.865 308 H CYS 113 H CYS 113 14.832 2.795 4.020 309 HA CYS 113 HA CYS 113 13.814 2.163 1.361 310 H SER 114 H SER 114 12.427 3.816 0.863 311 HA SER 114 HA SER 114 10.019 4.030 2.519 312 HG SER 114 HG SER 114 9.434 6.285 3.359 313 H GLY 115 H GLY 115 8.167 4.934 1.390 314 H GLY 116 H GLY 116 8.441 2.395 0.051 315 H GLU 117 H GLU 117 10.507 2.738 -1.376 316 HA GLU 117 HA GLU 117 12.169 1.437 -3.383 317 H TRP 118 H TRP 118 14.408 2.487 -3.371 318 HA TRP 118 HA TRP 118 15.137 3.043 -0.574 319 HD1 TRP 118 HD1 TRP 118 15.269 -0.479 -2.876 320 HE1 TRP 118 HE1 TRP 118 14.960 -2.393 -1.184 321 HE3 TRP 118 HE3 TRP 118 17.214 1.782 1.271 322 HZ2 TRP 118 HZ2 TRP 118 15.470 -2.879 1.547 323 HZ3 TRP 118 HZ3 TRP 118 17.268 0.525 3.383 324 HH2 TRP 118 HH2 TRP 118 16.409 -1.758 3.517 325 H SER 119 H SER 119 16.033 4.986 -0.112 326 HA SER 119 HA SER 119 16.887 6.645 -2.367 327 HG SER 119 HG SER 119 14.759 6.851 0.066 328 H ASP 120 H ASP 120 18.829 6.884 -2.816 329 HA ASP 120 HA ASP 120 21.181 7.289 -2.439 330 HA PRO 121 HA PRO 121 22.214 3.751 -1.479 331 HA PRO 122 HA PRO 122 26.012 6.077 -2.111 332 H THR 123 H THR 123 28.510 5.557 -2.433 333 HA THR 123 HA THR 123 28.701 3.538 -4.573 334 HB THR 123 HB THR 123 30.674 5.602 -4.892 335 HG1 THR 123 HG1 THR 123 29.438 7.371 -5.080 336 H CYS 124 H CYS 124 31.243 3.285 -5.073 337 HA CYS 124 HA CYS 124 32.705 3.071 -2.550 338 H GLN 125 H GLN 125 34.165 4.609 -3.171 339 HA GLN 125 HA GLN 125 35.838 3.931 -5.493 340 H ILE 126 H ILE 126 38.048 4.816 -5.351 341 HA ILE 126 HA ILE 126 39.128 4.307 -2.699 342 HB ILE 126 HB ILE 126 40.553 4.744 -5.326 No H/Q in entry = 342 Start of MODEL 35 1 H ARG 7 H ARG 7 33.399 -6.424 -0.006 2 HA ARG 7 HA ARG 7 33.342 -3.677 -1.007 3 HE ARG 7 HE ARG 7 36.981 -4.669 -3.281 4 1HH1 ARG 7 1HH1 ARG 7 35.719 -5.756 -6.339 5 1HH2 ARG 7 1HH2 ARG 7 38.968 -4.412 -4.374 6 H ARG 8 H ARG 8 31.560 -4.223 1.075 7 HA ARG 8 HA ARG 8 28.948 -4.665 -0.121 8 HE ARG 8 HE ARG 8 30.350 -5.296 4.269 9 1HH1 ARG 8 1HH1 ARG 8 27.934 -7.400 5.638 10 1HH2 ARG 8 1HH2 ARG 8 30.919 -4.811 6.425 11 H CYS 9 H CYS 9 27.167 -3.121 0.558 12 HA CYS 9 HA CYS 9 28.010 -0.424 -0.145 13 HA PRO 10 HA PRO 10 27.514 1.354 3.834 14 H SER 11 H SER 11 25.852 2.332 5.365 15 HA SER 11 HA SER 11 23.816 0.581 5.859 16 HG SER 11 HG SER 11 24.851 3.893 7.714 17 HA PRO 12 HA PRO 12 21.127 1.533 2.323 18 H ARG 13 H ARG 13 19.157 2.664 2.073 19 HA ARG 13 HA ARG 13 18.537 4.391 4.290 20 HE ARG 13 HE ARG 13 19.850 8.099 1.401 21 1HH1 ARG 13 1HH1 ARG 13 16.592 8.775 0.369 22 1HH2 ARG 13 1HH2 ARG 13 20.431 9.995 0.274 23 H ASP 14 H ASP 14 16.305 4.890 4.883 24 HA ASP 14 HA ASP 14 14.687 2.464 5.033 25 H ILE 15 H ILE 15 12.407 3.553 6.140 26 HA ILE 15 HA ILE 15 11.519 5.688 4.357 27 HB ILE 15 HB ILE 15 10.995 3.561 3.199 28 H ASP 16 H ASP 16 9.543 6.711 5.055 29 HA ASP 16 HA ASP 16 9.382 6.758 7.934 30 H ASN 17 H ASN 17 6.953 6.410 5.331 31 HA ASN 17 HA ASN 17 5.024 5.483 7.306 32 H GLY 18 H GLY 18 7.319 3.800 6.516 33 H GLN 19 H GLN 19 7.794 -0.331 5.300 34 HA GLN 19 HA GLN 19 10.129 0.135 7.020 35 H LEU 20 H LEU 20 11.814 -1.718 6.523 36 HA LEU 20 HA LEU 20 11.870 -2.092 3.602 37 HG LEU 20 HG LEU 20 14.560 0.536 4.777 38 H ASP 21 H ASP 21 13.136 -3.883 2.840 39 HA ASP 21 HA ASP 21 13.452 -6.057 4.801 40 H ILE 22 H ILE 22 15.679 -5.525 4.864 41 HA ILE 22 HA ILE 22 17.220 -5.534 2.439 42 HB ILE 22 HB ILE 22 18.461 -5.653 5.149 43 H GLY 23 H GLY 23 17.225 -7.510 1.484 44 H GLY 24 H GLY 24 19.746 -7.442 2.065 45 H VAL 25 H VAL 25 23.918 -7.281 1.750 46 HA VAL 25 HA VAL 25 23.228 -4.596 0.766 47 HB VAL 25 HB VAL 25 24.569 -3.559 2.492 48 H ASP 26 H ASP 26 24.849 -7.118 -0.151 49 HA ASP 26 HA ASP 26 27.445 -5.863 -0.606 50 H PHE 27 H PHE 27 28.311 -5.572 -2.711 51 HA PHE 27 HA PHE 27 26.675 -4.373 -4.566 52 HD1 PHE 27 HD1 PHE 27 27.131 -5.146 -7.387 53 HD2 PHE 27 HD2 PHE 27 29.966 -2.603 -5.490 54 HE1 PHE 27 HE1 PHE 27 26.977 -3.575 -9.273 55 HE2 PHE 27 HE2 PHE 27 29.816 -1.027 -7.374 56 HZ PHE 27 HZ PHE 27 28.321 -1.513 -9.268 57 H GLY 28 H GLY 28 24.865 -5.355 -5.250 58 H SER 29 H SER 29 23.671 -6.329 -4.058 59 HA SER 29 HA SER 29 21.480 -8.269 -3.967 60 HG SER 29 HG SER 29 23.117 -5.746 -1.750 61 H SER 30 H SER 30 19.451 -7.397 -2.857 62 HA SER 30 HA SER 30 18.914 -4.607 -3.520 63 HG SER 30 HG SER 30 17.066 -7.480 -5.670 64 H ILE 31 H ILE 31 17.450 -3.642 -2.237 65 HA ILE 31 HA ILE 31 16.511 -5.187 0.061 66 HB ILE 31 HB ILE 31 15.964 -2.278 -0.046 67 H THR 32 H THR 32 14.250 -4.353 0.889 68 HA THR 32 HA THR 32 12.446 -3.988 -1.390 69 HB THR 32 HB THR 32 11.364 -5.775 0.659 70 HG1 THR 32 HG1 THR 32 13.560 -6.632 -0.916 71 H TYR 33 H TYR 33 11.395 -2.173 -1.038 72 HA TYR 33 HA TYR 33 10.887 -1.265 1.676 73 HD1 TYR 33 HD1 TYR 33 13.265 -0.329 -0.708 74 HD2 TYR 33 HD2 TYR 33 10.856 2.110 1.812 75 HE1 TYR 33 HE1 TYR 33 15.278 0.858 0.059 76 HE2 TYR 33 HE2 TYR 33 12.859 3.302 2.587 77 HH TYR 33 HH TYR 33 15.172 3.766 1.723 78 H SER 34 H SER 34 8.898 -1.025 2.605 79 HA SER 34 HA SER 34 6.506 -1.660 1.066 80 HG SER 34 HG SER 34 5.571 -4.156 1.453 81 H CYS 35 H CYS 35 4.606 -0.833 1.955 82 HA CYS 35 HA CYS 35 4.935 1.421 3.651 83 H ASN 36 H ASN 36 3.476 1.758 5.592 84 HA ASN 36 HA ASN 36 4.172 -0.120 7.590 85 H SER 37 H SER 37 0.851 0.987 7.041 86 HA SER 37 HA SER 37 -0.134 -1.671 6.568 87 HG SER 37 HG SER 37 -1.213 -3.049 8.711 88 H GLY 38 H GLY 38 -2.097 -1.645 5.572 89 H TYR 39 H TYR 39 -1.150 0.200 3.895 90 HA TYR 39 HA TYR 39 -1.839 2.808 2.706 91 HD1 TYR 39 HD1 TYR 39 -1.946 3.196 5.082 92 HD2 TYR 39 HD2 TYR 39 1.736 4.772 3.653 93 HE1 TYR 39 HE1 TYR 39 -2.319 5.241 6.396 94 HE2 TYR 39 HE2 TYR 39 1.377 6.822 4.962 95 HH TYR 39 HH TYR 39 -0.394 7.166 7.392 96 H HIS 40 H HIS 40 -0.462 3.310 0.737 97 HA HIS 40 HA HIS 40 0.081 0.884 -0.823 98 HD1 HIS 40 HD1 HIS 40 -1.391 3.617 -4.323 99 HD2 HIS 40 HD2 HIS 40 -1.121 4.886 -0.379 100 HE1 HIS 40 HE1 HIS 40 -1.481 6.128 -4.418 101 HE2 HIS 40 HE2 HIS 40 -1.316 6.876 -2.018 102 H LEU 41 H LEU 41 2.132 0.828 -1.376 103 HA LEU 41 HA LEU 41 3.769 3.198 -1.256 104 HG LEU 41 HG LEU 41 6.210 2.708 -1.712 105 H ILE 42 H ILE 42 4.292 4.454 -2.917 106 HA ILE 42 HA ILE 42 3.641 3.501 -5.618 107 HB ILE 42 HB ILE 42 4.240 6.373 -5.103 108 H GLY 43 H GLY 43 5.027 4.346 -7.382 109 H GLU 44 H GLU 44 9.497 4.022 -6.484 110 HA GLU 44 HA GLU 44 9.718 1.293 -7.404 111 H SER 45 H SER 45 11.029 -0.088 -5.598 112 HA SER 45 HA SER 45 10.094 0.105 -2.928 113 HG SER 45 HG SER 45 8.374 -2.244 -2.145 114 H LYS 46 H LYS 46 12.535 -0.351 -4.482 115 HA LYS 46 HA LYS 46 13.637 -2.454 -2.903 116 H SER 47 H SER 47 15.530 -1.589 -2.344 117 HA SER 47 HA SER 47 16.890 0.312 -4.074 118 HG SER 47 HG SER 47 17.880 1.736 -2.993 119 H TYR 48 H TYR 48 18.676 -0.155 -5.307 120 HA TYR 48 HA TYR 48 19.628 -2.942 -5.045 121 HD1 TYR 48 HD1 TYR 48 17.508 -3.539 -6.173 122 HD2 TYR 48 HD2 TYR 48 18.612 -0.456 -8.883 123 HE1 TYR 48 HE1 TYR 48 15.167 -3.363 -6.911 124 HE2 TYR 48 HE2 TYR 48 16.278 -0.263 -9.632 125 HH TYR 48 HH TYR 48 13.688 -1.999 -8.035 126 H CYS 49 H CYS 49 21.495 -3.303 -4.237 127 HA CYS 49 HA CYS 49 23.273 -1.241 -3.475 128 H GLU 50 H GLU 50 24.619 -0.182 -4.718 129 HA GLU 50 HA GLU 50 26.394 -1.556 -6.526 130 H LEU 51 H LEU 51 27.678 0.309 -7.793 131 HA LEU 51 HA LEU 51 28.161 2.477 -5.880 132 HG LEU 51 HG LEU 51 30.359 0.977 -8.547 133 H GLY 52 H GLY 52 28.861 4.461 -6.730 134 H SER 53 H SER 53 30.010 6.000 -6.744 135 HA SER 53 HA SER 53 29.284 8.820 -7.176 136 HG SER 53 HG SER 53 27.476 8.973 -5.190 137 H THR 54 H THR 54 31.254 8.649 -8.557 138 HA THR 54 HA THR 54 33.430 9.182 -8.958 139 HB THR 54 HB THR 54 34.491 10.687 -7.526 140 HG1 THR 54 HG1 THR 54 34.804 10.042 -5.569 141 H GLY 55 H GLY 55 32.591 6.545 -7.843 142 H SER 56 H SER 56 32.072 5.969 -5.880 143 HA SER 56 HA SER 56 32.781 4.307 -3.553 144 HG SER 56 HG SER 56 31.544 5.279 -1.406 145 H MET 57 H MET 57 30.931 3.419 -2.366 146 HA MET 57 HA MET 57 29.074 2.210 -4.207 147 H VAL 58 H VAL 58 26.950 2.462 -4.267 148 HA VAL 58 HA VAL 58 25.630 4.217 -2.324 149 HB VAL 58 HB VAL 58 24.316 5.180 -4.267 150 H TRP 59 H TRP 59 23.096 4.195 -3.130 151 HA TRP 59 HA TRP 59 22.404 1.370 -3.585 152 HD1 TRP 59 HD1 TRP 59 23.527 2.500 0.026 153 HE1 TRP 59 HE1 TRP 59 24.094 0.318 1.264 154 HE3 TRP 59 HE3 TRP 59 20.136 -0.606 -2.211 155 HZ2 TRP 59 HZ2 TRP 59 23.209 -2.365 1.292 156 HZ3 TRP 59 HZ3 TRP 59 20.059 -2.965 -1.512 157 HH2 TRP 59 HH2 TRP 59 21.561 -3.817 0.190 158 H ASN 60 H ASN 60 20.982 1.041 -5.173 159 HA ASN 60 HA ASN 60 19.938 3.214 -6.697 160 HA PRO 61 HA PRO 61 15.844 4.469 -5.640 161 H GLU 62 H GLU 62 15.957 4.227 -3.437 162 HA GLU 62 HA GLU 62 15.254 1.621 -2.308 163 H ALA 63 H ALA 63 14.746 4.827 -0.898 164 HA ALA 63 HA ALA 63 12.210 4.039 0.140 165 HA PRO 64 HA PRO 64 10.007 5.777 -3.414 166 H ILE 65 H ILE 65 7.162 5.618 -3.297 167 HA ILE 65 HA ILE 65 6.651 7.546 -1.160 168 HB ILE 65 HB ILE 65 4.674 6.860 -3.283 169 H CYS 66 H CYS 66 4.472 7.434 -0.119 170 HA CYS 66 HA CYS 66 3.139 4.903 -0.001 171 H GLU 67 H GLU 67 1.095 5.121 0.736 172 HA GLU 67 HA GLU 67 0.340 7.319 2.450 173 H SER 68 H SER 68 -2.155 7.293 2.713 174 HA SER 68 HA SER 68 -2.869 4.580 3.383 175 HG SER 68 HG SER 68 -5.319 7.325 3.138 176 H VAL 69 H VAL 69 -3.688 3.276 1.933 177 HA VAL 69 HA VAL 69 -4.614 3.775 -0.566 178 HB VAL 69 HB VAL 69 -5.919 1.658 -0.387 179 H LYS 70 H LYS 70 -5.958 5.505 -0.870 180 HA LYS 70 HA LYS 70 -8.338 5.875 0.695 181 H CYS 71 H CYS 71 -10.308 5.114 0.321 182 HA CYS 71 HA CYS 71 -10.890 3.935 -2.317 183 H GLN 72 H GLN 72 -12.297 5.067 -3.482 184 HA GLN 72 HA GLN 72 -13.710 7.265 -2.406 185 H SER 73 H SER 73 -16.223 7.020 -3.742 186 HA SER 73 HA SER 73 -17.852 6.085 -1.746 187 HG SER 73 HG SER 73 -20.257 5.737 -4.637 188 HA PRO 74 HA PRO 74 -17.491 1.676 -1.767 189 HA PRO 75 HA PRO 75 -18.814 -0.127 -5.545 190 H SER 76 H SER 76 -20.616 -0.292 -6.947 191 HA SER 76 HA SER 76 -23.014 1.098 -5.955 192 HG SER 76 HG SER 76 -22.044 3.328 -8.355 193 H ILE 77 H ILE 77 -24.063 -0.753 -5.192 194 HA ILE 77 HA ILE 77 -24.440 -3.087 -6.764 195 HB ILE 77 HB ILE 77 -26.027 -3.791 -5.081 196 H SER 78 H SER 78 -26.946 -3.824 -6.872 197 HA SER 78 HA SER 78 -28.206 -1.834 -8.626 198 HG SER 78 HG SER 78 -27.204 -5.291 -9.383 199 H ASN 79 H ASN 79 -30.401 -1.340 -8.436 200 HA ASN 79 HA ASN 79 -32.250 -0.746 -7.252 201 H GLY 80 H GLY 80 -29.657 -0.310 -5.946 202 H ARG 81 H ARG 81 -28.380 0.694 -1.936 203 HA ARG 81 HA ARG 81 -26.488 2.217 -3.427 204 HE ARG 81 HE ARG 81 -31.542 5.465 -1.066 205 1HH1 ARG 81 1HH1 ARG 81 -28.158 6.222 -1.387 206 1HH2 ARG 81 1HH2 ARG 81 -31.530 6.899 0.709 207 H HIS 82 H HIS 82 -25.339 3.763 -1.627 208 HA HIS 82 HA HIS 82 -24.844 1.988 0.670 209 HD1 HIS 82 HD1 HIS 82 -22.356 2.353 -2.938 210 HD2 HIS 82 HD2 HIS 82 -22.932 5.771 -0.646 211 HE1 HIS 82 HE1 HIS 82 -21.864 4.283 -4.473 212 HE2 HIS 82 HE2 HIS 82 -22.218 6.343 -3.066 213 H ASN 83 H ASN 83 -23.795 3.102 2.540 214 HA ASN 83 HA ASN 83 -25.198 5.619 3.055 215 H GLY 84 H GLY 84 -23.711 6.762 5.036 216 H TYR 85 H TYR 85 -21.926 7.934 2.054 217 HA TYR 85 HA TYR 85 -22.437 9.543 0.611 218 HD1 TYR 85 HD1 TYR 85 -24.131 8.454 0.665 219 HD2 TYR 85 HD2 TYR 85 -25.631 11.075 3.662 220 HE1 TYR 85 HE1 TYR 85 -26.185 7.113 0.804 221 HE2 TYR 85 HE2 TYR 85 -27.689 9.740 3.808 222 HH TYR 85 HH TYR 85 -28.360 7.331 3.306 223 H GLU 86 H GLU 86 -19.901 9.159 1.962 224 HA GLU 86 HA GLU 86 -18.796 11.805 2.162 225 H ASP 87 H ASP 87 -16.357 11.643 1.041 226 HA ASP 87 HA ASP 87 -16.966 11.154 -1.793 227 H PHE 88 H PHE 88 -14.856 10.433 0.824 228 HA PHE 88 HA PHE 88 -13.527 8.436 -0.781 229 HD1 PHE 88 HD1 PHE 88 -10.707 8.122 -1.643 230 HD2 PHE 88 HD2 PHE 88 -12.569 11.937 -1.882 231 HE1 PHE 88 HE1 PHE 88 -10.027 8.300 -3.992 232 HE2 PHE 88 HE2 PHE 88 -11.893 12.125 -4.237 233 HZ PHE 88 HZ PHE 88 -10.617 10.304 -5.301 234 H TYR 89 H TYR 89 -12.201 6.994 0.527 235 HA TYR 89 HA TYR 89 -12.702 7.070 3.400 236 HD1 TYR 89 HD1 TYR 89 -14.870 6.514 0.461 237 HD2 TYR 89 HD2 TYR 89 -15.443 5.201 4.469 238 HE1 TYR 89 HE1 TYR 89 -17.201 7.317 0.384 239 HE2 TYR 89 HE2 TYR 89 -17.775 5.994 4.397 240 HH TYR 89 HH TYR 89 -19.394 6.705 1.633 241 H THR 90 H THR 90 -11.394 5.304 4.520 242 HA THR 90 HA THR 90 -8.926 4.768 3.006 243 HB THR 90 HB THR 90 -7.738 5.219 5.254 244 HG1 THR 90 HG1 THR 90 -8.861 6.752 6.540 245 H ASP 91 H ASP 91 -7.422 3.366 4.539 246 HA ASP 91 HA ASP 91 -8.638 0.843 4.725 247 H GLY 92 H GLY 92 -10.330 0.752 6.054 248 H SER 93 H SER 93 -11.922 1.792 6.239 249 HA SER 93 HA SER 93 -13.813 3.156 8.006 250 HG SER 93 HG SER 93 -11.954 4.544 6.344 251 H VAL 94 H VAL 94 -16.117 2.905 7.661 252 HA VAL 94 HA VAL 94 -16.873 0.374 6.393 253 HB VAL 94 HB VAL 94 -17.646 1.218 9.186 254 H VAL 95 H VAL 95 -19.035 0.224 5.731 255 HA VAL 95 HA VAL 95 -20.729 2.579 5.954 256 HB VAL 95 HB VAL 95 -20.068 1.482 3.231 257 H THR 96 H THR 96 -22.886 2.163 5.632 258 HA THR 96 HA THR 96 -23.593 -0.680 5.431 259 HB THR 96 HB THR 96 -25.853 0.688 6.307 260 HG1 THR 96 HG1 THR 96 -25.057 1.943 8.030 261 H TYR 97 H TYR 97 -24.722 -1.385 3.754 262 HA TYR 97 HA TYR 97 -25.525 0.521 1.718 263 HD1 TYR 97 HD1 TYR 97 -22.904 -0.621 2.065 264 HD2 TYR 97 HD2 TYR 97 -25.029 -1.749 -1.446 265 HE1 TYR 97 HE1 TYR 97 -20.929 -0.101 0.710 266 HE2 TYR 97 HE2 TYR 97 -23.049 -1.233 -2.808 267 HH TYR 97 HH TYR 97 -21.020 0.254 -2.603 268 H SER 98 H SER 98 -27.602 0.400 0.667 269 HA SER 98 HA SER 98 -29.765 -0.923 2.077 270 HG SER 98 HG SER 98 -30.431 1.194 4.265 271 H CYS 99 H CYS 99 -31.667 -1.096 0.867 272 HA CYS 99 HA CYS 99 -31.308 -0.948 -1.963 273 H ASN 100 H ASN 100 -32.871 0.120 -3.429 274 HA ASN 100 HA ASN 100 -33.221 2.870 -2.623 275 H SER 101 H SER 101 -35.447 0.767 -4.452 276 HA SER 101 HA SER 101 -37.726 2.235 -3.601 277 HG SER 101 HG SER 101 -38.827 1.067 -6.537 278 H GLY 102 H GLY 102 -36.086 -0.580 -2.388 279 H TYR 103 H TYR 103 -35.421 -2.352 -2.039 280 HA TYR 103 HA TYR 103 -36.563 -4.946 -2.188 281 HD1 TYR 103 HD1 TYR 103 -35.302 -2.344 -4.418 282 HD2 TYR 103 HD2 TYR 103 -35.206 -6.591 -4.674 283 HE1 TYR 103 HE1 TYR 103 -36.239 -2.221 -6.687 284 HE2 TYR 103 HE2 TYR 103 -36.144 -6.479 -6.946 285 HH TYR 103 HH TYR 103 -37.349 -5.029 -8.373 286 H SER 104 H SER 104 -34.729 -6.765 -1.602 287 HA SER 104 HA SER 104 -34.368 -6.489 1.306 288 HG SER 104 HG SER 104 -36.354 -8.442 -0.629 289 H LEU 105 H LEU 105 -32.352 -5.675 1.567 290 HA LEU 105 HA LEU 105 -30.180 -5.937 -0.040 291 HG LEU 105 HG LEU 105 -28.301 -5.066 0.558 292 H ILE 106 H ILE 106 -28.827 -7.416 -0.586 293 HA ILE 106 HA ILE 106 -29.026 -10.067 0.617 294 HB ILE 106 HB ILE 106 -27.666 -9.074 -1.884 295 H GLY 107 H GLY 107 -27.129 -11.218 1.303 296 H ASN 108 H ASN 108 -23.740 -8.588 2.793 297 HA ASN 108 HA ASN 108 -25.283 -7.859 5.195 298 H SER 109 H SER 109 -25.472 -5.693 5.685 299 HA SER 109 HA SER 109 -25.256 -3.877 3.494 300 HG SER 109 HG SER 109 -26.604 -1.407 5.801 301 H GLY 110 H GLY 110 -23.382 -4.546 6.358 302 H VAL 111 H VAL 111 -19.920 -1.711 5.309 303 HA VAL 111 HA VAL 111 -18.608 -3.784 3.694 304 HB VAL 111 HB VAL 111 -18.793 -0.992 2.670 305 H LEU 112 H LEU 112 -16.565 -3.986 4.341 306 HA LEU 112 HA LEU 112 -15.325 -1.899 5.905 307 HG LEU 112 HG LEU 112 -12.449 -3.118 5.336 308 H CYS 113 H CYS 113 -14.298 -0.262 5.009 309 HA CYS 113 HA CYS 113 -13.218 -0.434 2.326 310 H SER 114 H SER 114 -11.420 -1.682 2.268 311 HA SER 114 HA SER 114 -9.157 -0.833 3.917 312 HG SER 114 HG SER 114 -8.437 -4.212 3.202 313 H GLY 115 H GLY 115 -7.090 -1.389 3.091 314 H GLY 116 H GLY 116 -8.043 0.298 1.045 315 H GLU 117 H GLU 117 -9.599 -1.037 -0.358 316 HA GLU 117 HA GLU 117 -11.492 -0.576 -2.551 317 H TRP 118 H TRP 118 -13.418 -2.191 -2.224 318 HA TRP 118 HA TRP 118 -14.207 -1.996 0.602 319 HD1 TRP 118 HD1 TRP 118 -14.863 0.538 -2.625 320 HE1 TRP 118 HE1 TRP 118 -15.006 2.880 -1.566 321 HE3 TRP 118 HE3 TRP 118 -16.628 -0.764 1.993 322 HZ2 TRP 118 HZ2 TRP 118 -15.773 4.022 0.896 323 HZ3 TRP 118 HZ3 TRP 118 -17.040 1.013 3.645 324 HH2 TRP 118 HH2 TRP 118 -16.619 3.360 3.103 325 H SER 119 H SER 119 -14.907 -3.776 1.643 326 HA SER 119 HA SER 119 -15.138 -6.251 0.062 327 HG SER 119 HG SER 119 -12.407 -5.387 2.002 328 H ASP 120 H ASP 120 -16.698 -7.750 0.636 329 HA ASP 120 HA ASP 120 -18.643 -8.562 1.480 330 HA PRO 121 HA PRO 121 -20.865 -4.693 -0.083 331 HA PRO 122 HA PRO 122 -24.264 -7.586 -0.443 332 H THR 123 H THR 123 -26.658 -7.275 -1.212 333 HA THR 123 HA THR 123 -26.711 -5.835 -3.773 334 HB THR 123 HB THR 123 -28.221 -8.336 -3.826 335 HG1 THR 123 HG1 THR 123 -25.425 -8.382 -3.431 336 H CYS 124 H CYS 124 -29.311 -6.713 -4.482 337 HA CYS 124 HA CYS 124 -31.051 -6.201 -2.263 338 H GLN 125 H GLN 125 -32.011 -8.103 -2.791 339 HA GLN 125 HA GLN 125 -33.532 -8.113 -5.306 340 H ILE 126 H ILE 126 -35.529 -9.343 -5.234 341 HA ILE 126 HA ILE 126 -36.925 -8.878 -2.722 342 HB ILE 126 HB ILE 126 -38.041 -9.778 -5.378 No H/Q in entry = 342 Start of MODEL 36 1 H ARG 7 H ARG 7 -34.235 -2.837 -3.150 2 HA ARG 7 HA ARG 7 -33.187 -5.453 -3.923 3 HE ARG 7 HE ARG 7 -34.715 -1.607 -7.191 4 1HH1 ARG 7 1HH1 ARG 7 -35.302 -4.007 -9.647 5 1HH2 ARG 7 1HH2 ARG 7 -35.044 -0.068 -8.842 6 H ARG 8 H ARG 8 -30.873 -5.503 -4.676 7 HA ARG 8 HA ARG 8 -29.116 -5.049 -2.608 8 HE ARG 8 HE ARG 8 -28.760 -7.086 -7.226 9 1HH1 ARG 8 1HH1 ARG 8 -26.410 -9.538 -6.464 10 1HH2 ARG 8 1HH2 ARG 8 -28.648 -7.867 -9.366 11 H CYS 9 H CYS 9 -27.067 -3.647 -2.828 12 HA CYS 9 HA CYS 9 -27.948 -0.892 -2.993 13 HA PRO 10 HA PRO 10 -26.099 0.142 -6.844 14 H SER 11 H SER 11 -24.036 0.747 -7.929 15 HA SER 11 HA SER 11 -21.969 -0.927 -7.256 16 HG SER 11 HG SER 11 -20.083 0.260 -9.855 17 HA PRO 12 HA PRO 12 -20.635 1.100 -3.416 18 H ARG 13 H ARG 13 -18.630 2.223 -2.778 19 HA ARG 13 HA ARG 13 -17.590 3.771 -4.965 20 HE ARG 13 HE ARG 13 -16.988 8.714 -3.269 21 1HH1 ARG 13 1HH1 ARG 13 -15.284 6.438 -1.254 22 1HH2 ARG 13 1HH2 ARG 13 -15.251 10.135 -2.857 23 H ASP 14 H ASP 14 -15.160 4.126 -5.099 24 HA ASP 14 HA ASP 14 -13.831 1.530 -4.936 25 H ILE 15 H ILE 15 -11.365 1.984 -5.561 26 HA ILE 15 HA ILE 15 -10.301 4.314 -4.186 27 HB ILE 15 HB ILE 15 -10.569 2.651 -2.386 28 H ASP 16 H ASP 16 -8.258 4.873 -4.884 29 HA ASP 16 HA ASP 16 -7.440 3.689 -7.371 30 H ASN 17 H ASN 17 -5.663 4.351 -4.346 31 HA ASN 17 HA ASN 17 -3.683 2.359 -5.100 32 H GLY 18 H GLY 18 -6.102 1.188 -4.661 33 H GLN 19 H GLN 19 -7.519 -2.100 -2.118 34 HA GLN 19 HA GLN 19 -9.056 -2.484 -4.582 35 H LEU 20 H LEU 20 -11.132 -3.151 -4.246 36 HA LEU 20 HA LEU 20 -12.049 -3.195 -1.499 37 HG LEU 20 HG LEU 20 -12.751 -1.931 -4.842 38 H ASP 21 H ASP 21 -13.404 -4.828 -0.633 39 HA ASP 21 HA ASP 21 -13.164 -7.459 -1.936 40 H ILE 22 H ILE 22 -15.252 -7.018 -2.847 41 HA ILE 22 HA ILE 22 -17.500 -6.376 -1.267 42 HB ILE 22 HB ILE 22 -17.387 -7.645 -3.992 43 H GLY 23 H GLY 23 -18.101 -7.662 0.359 44 H GLY 24 H GLY 24 -20.231 -8.179 -0.736 45 H VAL 25 H VAL 25 -23.738 -8.013 -2.048 46 HA VAL 25 HA VAL 25 -23.495 -5.141 -1.446 47 HB VAL 25 HB VAL 25 -24.253 -4.758 -3.772 48 H ASP 26 H ASP 26 -25.384 -7.199 -0.274 49 HA ASP 26 HA ASP 26 -27.950 -6.110 -1.173 50 H PHE 27 H PHE 27 -29.529 -5.464 0.435 51 HA PHE 27 HA PHE 27 -28.588 -3.521 2.188 52 HD1 PHE 27 HD1 PHE 27 -29.300 -2.206 3.633 53 HD2 PHE 27 HD2 PHE 27 -33.036 -4.240 3.486 54 HE1 PHE 27 HE1 PHE 27 -30.067 -0.935 5.599 55 HE2 PHE 27 HE2 PHE 27 -33.807 -2.977 5.451 56 HZ PHE 27 HZ PHE 27 -32.322 -1.325 6.510 57 H GLY 28 H GLY 28 -27.009 -4.297 3.567 58 H SER 29 H SER 29 -25.625 -5.622 3.232 59 HA SER 29 HA SER 29 -23.756 -7.517 4.406 60 HG SER 29 HG SER 29 -24.641 -8.371 1.092 61 H SER 30 H SER 30 -21.350 -6.896 3.415 62 HA SER 30 HA SER 30 -20.710 -4.118 3.893 63 HG SER 30 HG SER 30 -20.001 -6.652 6.930 64 H ILE 31 H ILE 31 -18.717 -3.511 3.143 65 HA ILE 31 HA ILE 31 -17.300 -5.541 1.556 66 HB ILE 31 HB ILE 31 -16.545 -2.735 1.122 67 H THR 32 H THR 32 -14.900 -5.107 1.320 68 HA THR 32 HA THR 32 -13.745 -4.029 3.793 69 HB THR 32 HB THR 32 -12.417 -6.414 2.634 70 HG1 THR 32 HG1 THR 32 -14.129 -7.596 2.777 71 H TYR 33 H TYR 33 -12.611 -2.338 3.136 72 HA TYR 33 HA TYR 33 -11.393 -2.254 0.525 73 HD1 TYR 33 HD1 TYR 33 -14.151 -0.644 1.975 74 HD2 TYR 33 HD2 TYR 33 -11.045 0.869 -0.519 75 HE1 TYR 33 HE1 TYR 33 -15.834 0.267 0.423 76 HE2 TYR 33 HE2 TYR 33 -12.721 1.782 -2.067 77 HH TYR 33 HH TYR 33 -16.113 1.058 -1.737 78 H SER 34 H SER 34 -9.187 -2.015 0.075 79 HA SER 34 HA SER 34 -7.252 -2.407 2.194 80 HG SER 34 HG SER 34 -9.180 -4.721 1.299 81 H CYS 35 H CYS 35 -4.981 -2.488 1.254 82 HA CYS 35 HA CYS 35 -4.800 -0.424 -0.778 83 H ASN 36 H ASN 36 -2.884 -0.695 -2.372 84 HA ASN 36 HA ASN 36 -3.508 -2.918 -4.035 85 H SER 37 H SER 37 -0.172 -2.043 -3.290 86 HA SER 37 HA SER 37 0.359 -4.572 -1.998 87 HG SER 37 HG SER 37 0.444 -6.122 -4.929 88 H GLY 38 H GLY 38 1.940 -4.327 -0.538 89 H TYR 39 H TYR 39 1.035 -2.034 0.192 90 HA TYR 39 HA TYR 39 1.847 0.732 0.816 91 HD1 TYR 39 HD1 TYR 39 2.101 0.016 -1.874 92 HD2 TYR 39 HD2 TYR 39 -1.054 2.757 -1.091 93 HE1 TYR 39 HE1 TYR 39 2.880 1.432 -3.728 94 HE2 TYR 39 HE2 TYR 39 -0.286 4.184 -2.935 95 HH TYR 39 HH TYR 39 2.615 3.373 -4.816 96 H HIS 40 H HIS 40 0.001 1.834 2.183 97 HA HIS 40 HA HIS 40 -1.011 -0.023 4.200 98 HD1 HIS 40 HD1 HIS 40 2.654 1.858 6.190 99 HD2 HIS 40 HD2 HIS 40 0.713 3.493 2.906 100 HE1 HIS 40 HE1 HIS 40 4.334 3.381 5.105 101 HE2 HIS 40 HE2 HIS 40 3.136 4.360 3.117 102 H LEU 41 H LEU 41 -3.063 0.328 4.766 103 HA LEU 41 HA LEU 41 -4.434 2.530 3.421 104 HG LEU 41 HG LEU 41 -6.959 2.350 3.641 105 H ILE 42 H ILE 42 -4.885 4.306 4.509 106 HA ILE 42 HA ILE 42 -4.951 4.196 7.431 107 HB ILE 42 HB ILE 42 -5.176 6.803 6.032 108 H GLY 43 H GLY 43 -6.647 5.020 8.628 109 H GLU 44 H GLU 44 -11.080 4.903 7.367 110 HA GLU 44 HA GLU 44 -11.508 2.414 8.647 111 H SER 45 H SER 45 -12.546 0.644 7.074 112 HA SER 45 HA SER 45 -11.234 0.155 4.603 113 HG SER 45 HG SER 45 -9.676 -2.026 4.436 114 H LYS 46 H LYS 46 -13.874 0.111 5.845 115 HA LYS 46 HA LYS 46 -14.789 -2.352 4.719 116 H SER 47 H SER 47 -16.618 -1.904 3.731 117 HA SER 47 HA SER 47 -18.185 0.417 4.621 118 HG SER 47 HG SER 47 -16.270 -0.489 2.188 119 H TYR 48 H TYR 48 -20.514 0.280 4.589 120 HA TYR 48 HA TYR 48 -21.475 -2.513 4.670 121 HD1 TYR 48 HD1 TYR 48 -19.818 -3.000 6.474 122 HD2 TYR 48 HD2 TYR 48 -21.438 0.500 8.259 123 HE1 TYR 48 HE1 TYR 48 -17.793 -2.774 7.849 124 HE2 TYR 48 HE2 TYR 48 -19.419 0.744 9.639 125 HH TYR 48 HH TYR 48 -16.588 -1.188 9.109 126 H CYS 49 H CYS 49 -23.146 -2.926 3.484 127 HA CYS 49 HA CYS 49 -24.530 -0.840 2.078 128 H GLU 50 H GLU 50 -25.750 0.384 3.411 129 HA GLU 50 HA GLU 50 -27.870 -1.016 4.903 130 H LEU 51 H LEU 51 -29.512 0.970 5.575 131 HA LEU 51 HA LEU 51 -30.581 1.791 2.988 132 HG LEU 51 HG LEU 51 -31.282 2.878 6.348 133 H GLY 52 H GLY 52 -31.079 3.913 2.453 134 H SER 53 H SER 53 -32.106 7.593 3.167 135 HA SER 53 HA SER 53 -32.484 7.709 6.086 136 HG SER 53 HG SER 53 -31.886 9.974 6.797 137 H THR 54 H THR 54 -34.062 7.561 2.969 138 HA THR 54 HA THR 54 -36.655 7.273 4.341 139 HB THR 54 HB THR 54 -37.649 7.899 2.104 140 HG1 THR 54 HG1 THR 54 -34.971 8.652 1.554 141 H GLY 55 H GLY 55 -34.839 5.126 4.099 142 H SER 56 H SER 56 -33.681 4.955 1.942 143 HA SER 56 HA SER 56 -33.716 3.785 -0.701 144 HG SER 56 HG SER 56 -31.445 6.269 -1.735 145 H MET 57 H MET 57 -30.989 4.054 -1.355 146 HA MET 57 HA MET 57 -29.812 1.836 0.178 147 H VAL 58 H VAL 58 -27.713 2.000 0.810 148 HA VAL 58 HA VAL 58 -26.001 4.108 -0.153 149 HB VAL 58 HB VAL 58 -25.625 4.960 2.232 150 H TRP 59 H TRP 59 -23.851 4.037 0.895 151 HA TRP 59 HA TRP 59 -23.263 1.359 1.972 152 HD1 TRP 59 HD1 TRP 59 -23.378 2.006 -2.071 153 HE1 TRP 59 HE1 TRP 59 -23.746 -0.353 -3.036 154 HE3 TRP 59 HE3 TRP 59 -21.103 -0.724 1.597 155 HZ2 TRP 59 HZ2 TRP 59 -23.140 -3.030 -2.321 156 HZ3 TRP 59 HZ3 TRP 59 -21.041 -3.171 1.385 157 HH2 TRP 59 HH2 TRP 59 -22.035 -4.291 -0.526 158 H ASN 60 H ASN 60 -22.363 1.377 3.921 159 HA ASN 60 HA ASN 60 -21.524 3.788 5.190 160 HA PRO 61 HA PRO 61 -17.202 4.709 5.054 161 H GLU 62 H GLU 62 -17.026 4.291 2.868 162 HA GLU 62 HA GLU 62 -16.278 1.613 2.030 163 H ALA 63 H ALA 63 -15.080 4.296 0.180 164 HA ALA 63 HA ALA 63 -12.478 3.175 0.170 165 HA PRO 64 HA PRO 64 -10.989 5.788 3.559 166 H ILE 65 H ILE 65 -8.180 5.603 4.081 167 HA ILE 65 HA ILE 65 -7.148 6.838 1.636 168 HB ILE 65 HB ILE 65 -5.575 6.891 4.146 169 H CYS 66 H CYS 66 -4.886 6.422 1.056 170 HA CYS 66 HA CYS 66 -3.669 3.975 1.999 171 H GLU 67 H GLU 67 -1.514 3.966 1.715 172 HA GLU 67 HA GLU 67 -0.315 5.844 -0.177 173 H SER 68 H SER 68 2.163 5.523 -0.141 174 HA SER 68 HA SER 68 2.655 2.630 -0.075 175 HG SER 68 HG SER 68 4.648 5.407 -2.045 176 H VAL 69 H VAL 69 4.005 1.846 1.359 177 HA VAL 69 HA VAL 69 5.279 3.281 3.348 178 HB VAL 69 HB VAL 69 6.700 1.245 3.666 179 H LYS 70 H LYS 70 6.399 5.051 2.490 180 HA LYS 70 HA LYS 70 8.323 4.842 0.429 181 H CYS 71 H CYS 71 10.437 4.402 0.439 182 HA CYS 71 HA CYS 71 11.761 4.026 3.045 183 H GLN 72 H GLN 72 13.211 5.545 3.479 184 HA GLN 72 HA GLN 72 14.036 7.422 1.517 185 H SER 73 H SER 73 16.796 7.740 2.296 186 HA SER 73 HA SER 73 18.064 6.332 0.301 187 HG SER 73 HG SER 73 20.739 8.201 0.936 188 HA PRO 74 HA PRO 74 18.442 2.186 1.800 189 HA PRO 75 HA PRO 75 20.757 2.020 5.532 190 H SER 76 H SER 76 22.845 2.335 6.381 191 HA SER 76 HA SER 76 24.829 3.133 4.364 192 HG SER 76 HG SER 76 26.061 5.683 6.224 193 H ILE 77 H ILE 77 25.794 1.132 4.053 194 HA ILE 77 HA ILE 77 26.680 -0.538 6.168 195 HB ILE 77 HB ILE 77 27.922 -1.764 4.476 196 H SER 78 H SER 78 29.121 -1.224 6.117 197 HA SER 78 HA SER 78 30.647 1.191 6.729 198 HG SER 78 HG SER 78 30.747 -1.111 9.437 199 H ASN 79 H ASN 79 32.596 1.689 5.763 200 HA ASN 79 HA ASN 79 34.087 1.862 4.057 201 H GLY 80 H GLY 80 31.229 1.995 3.466 202 H ARG 81 H ARG 81 28.925 1.965 -0.256 203 HA ARG 81 HA ARG 81 26.811 2.671 1.479 204 HE ARG 81 HE ARG 81 28.832 7.302 -1.314 205 2HH1 ARG 81 2HH1 ARG 81 30.696 9.900 1.096 206 1HH2 ARG 81 1HH2 ARG 81 29.420 9.359 -2.114 207 H HIS 82 H HIS 82 25.085 3.950 -0.065 208 HA HIS 82 HA HIS 82 24.668 2.072 -2.228 209 HD1 HIS 82 HD1 HIS 82 22.871 5.994 -2.253 210 HD2 HIS 82 HD2 HIS 82 22.595 3.913 1.331 211 HE1 HIS 82 HE1 HIS 82 22.450 7.738 -0.492 212 HE2 HIS 82 HE2 HIS 82 22.283 6.458 1.669 213 H ASN 83 H ASN 83 23.605 3.110 -4.292 214 HA ASN 83 HA ASN 83 25.493 5.175 -5.202 215 H GLY 84 H GLY 84 22.087 4.242 -5.247 216 H TYR 85 H TYR 85 21.340 6.936 -3.629 217 HA TYR 85 HA TYR 85 21.741 8.871 -2.617 218 HD1 TYR 85 HD1 TYR 85 23.333 7.868 -2.304 219 HD2 TYR 85 HD2 TYR 85 25.206 9.967 -5.493 220 HE1 TYR 85 HE1 TYR 85 25.468 6.822 -1.721 221 HE2 TYR 85 HE2 TYR 85 27.357 8.925 -4.915 222 HH TYR 85 HH TYR 85 27.638 6.272 -2.916 223 H GLU 86 H GLU 86 19.226 8.127 -3.894 224 HA GLU 86 HA GLU 86 18.077 10.578 -4.797 225 H ASP 87 H ASP 87 15.619 10.632 -3.460 226 HA ASP 87 HA ASP 87 16.518 11.216 -0.729 227 H PHE 88 H PHE 88 14.250 9.490 -2.645 228 HA PHE 88 HA PHE 88 13.343 8.077 -0.313 229 HD1 PHE 88 HD1 PHE 88 11.022 7.907 1.180 230 HD2 PHE 88 HD2 PHE 88 12.076 11.777 -0.230 231 HE1 PHE 88 HE1 PHE 88 10.784 8.791 3.452 232 HE2 PHE 88 HE2 PHE 88 11.838 12.676 2.045 233 HZ PHE 88 HZ PHE 88 11.189 11.183 3.897 234 H TYR 89 H TYR 89 11.984 6.253 -0.831 235 HA TYR 89 HA TYR 89 11.960 5.421 -3.629 236 HD1 TYR 89 HD1 TYR 89 14.667 5.989 -1.226 237 HD2 TYR 89 HD2 TYR 89 14.657 3.333 -4.551 238 HE1 TYR 89 HE1 TYR 89 16.894 6.824 -1.885 239 HE2 TYR 89 HE2 TYR 89 16.878 4.151 -5.217 240 HH TYR 89 HH TYR 89 18.810 6.104 -3.181 241 H THR 90 H THR 90 10.672 3.335 -3.866 242 HA THR 90 HA THR 90 8.573 3.211 -1.801 243 HB THR 90 HB THR 90 7.015 2.702 -3.797 244 HG1 THR 90 HG1 THR 90 8.234 2.574 -5.542 245 H ASP 91 H ASP 91 7.165 1.210 -2.086 246 HA ASP 91 HA ASP 91 8.726 -1.079 -1.780 247 H GLY 92 H GLY 92 10.008 -1.653 -3.343 248 H SER 93 H SER 93 11.348 -0.636 -4.284 249 HA SER 93 HA SER 93 12.598 0.045 -6.847 250 HG SER 93 HG SER 93 11.062 2.166 -5.612 251 H VAL 94 H VAL 94 14.953 0.160 -6.961 252 HA VAL 94 HA VAL 94 16.302 -1.679 -5.119 253 HB VAL 94 HB VAL 94 16.451 -1.818 -8.134 254 H VAL 95 H VAL 95 18.606 -1.475 -5.074 255 HA VAL 95 HA VAL 95 19.785 0.854 -6.356 256 HB VAL 95 HB VAL 95 19.836 0.561 -3.352 257 H THR 96 H THR 96 22.083 0.840 -6.315 258 HA THR 96 HA THR 96 23.195 -1.796 -5.629 259 HB THR 96 HB THR 96 24.949 -0.497 -7.411 260 HG1 THR 96 HG1 THR 96 23.700 0.231 -9.021 261 H TYR 97 H TYR 97 24.561 -1.855 -4.030 262 HA TYR 97 HA TYR 97 25.582 0.562 -2.866 263 HD1 TYR 97 HD1 TYR 97 23.155 -0.775 -2.309 264 HD2 TYR 97 HD2 TYR 97 26.073 -0.811 0.787 265 HE1 TYR 97 HE1 TYR 97 21.454 -0.033 -0.705 266 HE2 TYR 97 HE2 TYR 97 24.372 -0.075 2.404 267 HH TYR 97 HH TYR 97 21.687 -0.293 2.482 268 H SER 98 H SER 98 27.786 0.976 -2.388 269 HA SER 98 HA SER 98 29.817 -0.485 -3.860 270 HG SER 98 HG SER 98 28.560 3.099 -4.926 271 H CYS 99 H CYS 99 31.871 -0.209 -3.062 272 HA CYS 99 HA CYS 99 32.117 0.771 -0.419 273 H ASN 100 H ASN 100 33.812 2.309 0.278 274 HA ASN 100 HA ASN 100 33.653 4.742 -1.316 275 H SER 101 H SER 101 36.233 3.287 0.668 276 HA SER 101 HA SER 101 38.302 4.565 -0.803 277 HG SER 101 HG SER 101 40.553 3.599 1.502 278 H GLY 102 H GLY 102 36.803 1.391 -0.957 279 H TYR 103 H TYR 103 36.134 -0.488 -0.916 280 HA TYR 103 HA TYR 103 37.640 -2.844 -0.286 281 HD1 TYR 103 HD1 TYR 103 37.028 -0.083 1.660 282 HD2 TYR 103 HD2 TYR 103 36.544 -4.197 2.623 283 HE1 TYR 103 HE1 TYR 103 38.414 0.230 3.667 284 HE2 TYR 103 HE2 TYR 103 37.932 -3.900 4.629 285 HH TYR 103 HH TYR 103 39.958 -1.714 5.158 286 H SER 104 H SER 104 35.829 -4.827 0.010 287 HA SER 104 HA SER 104 34.919 -5.334 -2.744 288 HG SER 104 HG SER 104 37.389 -6.004 -2.143 289 H LEU 105 H LEU 105 32.805 -4.748 -2.639 290 HA LEU 105 HA LEU 105 31.078 -4.896 -0.550 291 HG LEU 105 HG LEU 105 29.365 -3.780 -0.879 292 H ILE 106 H ILE 106 29.638 -6.305 0.210 293 HA ILE 106 HA ILE 106 29.956 -9.112 -0.605 294 HB ILE 106 HB ILE 106 29.383 -8.010 2.139 295 H GLY 107 H GLY 107 28.077 -10.496 -0.080 296 H ASN 108 H ASN 108 26.782 -9.587 -2.502 297 HA ASN 108 HA ASN 108 26.347 -8.259 -4.288 298 H SER 109 H SER 109 26.269 -6.237 -4.754 299 HA SER 109 HA SER 109 25.605 -4.200 -3.023 300 HG SER 109 HG SER 109 25.758 -2.245 -6.273 301 H GLY 110 H GLY 110 23.582 -5.824 -5.369 302 H VAL 111 H VAL 111 19.931 -3.276 -4.356 303 HA VAL 111 HA VAL 111 19.254 -4.752 -1.902 304 HB VAL 111 HB VAL 111 19.094 -1.778 -1.951 305 H LEU 112 H LEU 112 17.051 -4.602 -1.249 306 HA LEU 112 HA LEU 112 15.292 -3.695 -3.428 307 HG LEU 112 HG LEU 112 12.767 -4.735 -1.736 308 H CYS 113 H CYS 113 14.046 -2.010 -3.057 309 HA CYS 113 HA CYS 113 13.657 -1.046 -0.340 310 H SER 114 H SER 114 12.154 -2.260 0.669 311 HA SER 114 HA SER 114 9.442 -2.210 -0.359 312 HG SER 114 HG SER 114 8.637 -5.061 -1.255 313 H GLY 115 H GLY 115 7.929 -3.288 1.285 314 H GLY 116 H GLY 116 8.595 -0.702 2.367 315 H GLU 117 H GLU 117 10.933 -1.004 3.290 316 HA GLU 117 HA GLU 117 13.103 0.454 4.526 317 H TRP 118 H TRP 118 15.140 -1.192 4.375 318 HA TRP 118 HA TRP 118 15.123 -2.113 1.584 319 HD1 TRP 118 HD1 TRP 118 16.194 1.355 3.469 320 HE1 TRP 118 HE1 TRP 118 15.803 3.205 1.727 321 HE3 TRP 118 HE3 TRP 118 17.084 -1.331 -0.783 322 HZ2 TRP 118 HZ2 TRP 118 15.871 3.493 -1.079 323 HZ3 TRP 118 HZ3 TRP 118 16.903 -0.196 -2.957 324 HH2 TRP 118 HH2 TRP 118 16.308 2.167 -3.097 325 H SER 119 H SER 119 15.417 -4.193 1.189 326 HA SER 119 HA SER 119 16.310 -5.907 3.398 327 HG SER 119 HG SER 119 13.615 -5.272 1.841 328 H ASP 120 H ASP 120 17.566 -7.813 2.838 329 HA ASP 120 HA ASP 120 19.546 -8.671 2.137 330 HA PRO 121 HA PRO 121 21.488 -4.451 1.121 331 HA PRO 122 HA PRO 122 25.225 -6.826 1.361 332 H THR 123 H THR 123 27.614 -6.507 1.590 333 HA THR 123 HA THR 123 28.263 -4.561 3.713 334 HB THR 123 HB THR 123 30.008 -6.851 3.787 335 HG1 THR 123 HG1 THR 123 28.656 -8.476 3.991 336 H CYS 124 H CYS 124 30.999 -5.178 3.756 337 HA CYS 124 HA CYS 124 32.061 -4.949 1.123 338 H GLN 125 H GLN 125 33.488 -6.445 1.849 339 HA GLN 125 HA GLN 125 35.436 -5.549 3.863 340 H ILE 126 H ILE 126 37.503 -6.956 3.655 341 HA ILE 126 HA ILE 126 38.470 -6.601 0.931 342 HB ILE 126 HB ILE 126 39.940 -7.249 3.488 No H/Q in entry = 342 Start of MODEL 37 1 H ARG 7 H ARG 7 35.357 -1.647 2.737 2 HA ARG 7 HA ARG 7 34.342 0.198 3.595 3 HE ARG 7 HE ARG 7 38.483 1.646 2.203 4 1HH1 ARG 7 1HH1 ARG 7 37.119 4.424 3.799 5 1HH2 ARG 7 1HH2 ARG 7 40.514 2.562 2.688 6 H ARG 8 H ARG 8 32.300 0.987 4.095 7 HA ARG 8 HA ARG 8 30.097 -0.528 2.920 8 HE ARG 8 HE ARG 8 31.431 -0.201 8.072 9 1HH1 ARG 8 1HH1 ARG 8 28.366 -1.694 8.782 10 1HH2 ARG 8 1HH2 ARG 8 31.581 0.187 10.316 11 H CYS 9 H CYS 9 28.066 0.519 2.480 12 HA CYS 9 HA CYS 9 28.361 2.901 0.940 13 HA PRO 10 HA PRO 10 27.053 5.800 4.053 14 H SER 11 H SER 11 25.071 7.063 4.951 15 HA SER 11 HA SER 11 23.204 5.286 5.925 16 HG SER 11 HG SER 11 20.991 7.632 6.717 17 HA PRO 12 HA PRO 12 21.060 4.369 2.042 18 H ARG 13 H ARG 13 18.967 4.873 1.164 19 HA ARG 13 HA ARG 13 17.975 7.412 1.920 20 HE ARG 13 HE ARG 13 15.481 9.781 -1.235 21 1HH1 ARG 13 1HH1 ARG 13 17.868 8.196 -3.216 22 1HH2 ARG 13 1HH2 ARG 13 16.070 11.691 -2.332 23 H ASP 14 H ASP 14 15.336 7.377 1.973 24 HA ASP 14 HA ASP 14 14.472 5.469 4.000 25 H ILE 15 H ILE 15 12.088 6.302 4.670 26 HA ILE 15 HA ILE 15 10.603 7.150 2.313 27 HB ILE 15 HB ILE 15 10.778 4.682 2.131 28 H ASP 16 H ASP 16 8.650 8.108 2.790 29 HA ASP 16 HA ASP 16 8.370 9.081 5.449 30 H ASN 17 H ASN 17 6.056 7.257 3.425 31 HA ASN 17 HA ASN 17 4.614 6.505 5.847 32 H GLY 18 H GLY 18 7.226 5.336 5.255 33 H GLN 19 H GLN 19 8.458 1.124 5.756 34 HA GLN 19 HA GLN 19 10.415 2.518 7.438 35 H LEU 20 H LEU 20 12.458 1.902 7.031 36 HA LEU 20 HA LEU 20 12.907 -0.097 5.013 37 HG LEU 20 HG LEU 20 14.263 1.372 3.499 38 H ASP 21 H ASP 21 14.463 -1.801 5.203 39 HA ASP 21 HA ASP 21 14.828 -2.818 7.941 40 H ILE 22 H ILE 22 16.930 -1.811 7.715 41 HA ILE 22 HA ILE 22 18.750 -2.572 5.684 42 HB ILE 22 HB ILE 22 19.332 -1.394 8.399 43 H GLY 23 H GLY 23 19.147 -4.699 5.461 44 H GLY 24 H GLY 24 21.539 -4.122 6.221 45 H VAL 25 H VAL 25 25.467 -3.278 5.898 46 HA VAL 25 HA VAL 25 24.553 -1.682 3.597 47 HB VAL 25 HB VAL 25 25.557 0.302 4.646 48 H ASP 26 H ASP 26 26.381 -3.945 3.634 49 HA ASP 26 HA ASP 26 28.952 -2.658 3.045 50 H PHE 27 H PHE 27 30.005 -2.996 1.056 51 HA PHE 27 HA PHE 27 28.481 -2.814 -1.228 52 HD1 PHE 27 HD1 PHE 27 28.592 -2.877 -3.227 53 HD2 PHE 27 HD2 PHE 27 32.714 -3.893 -2.924 54 HE1 PHE 27 HE1 PHE 27 28.711 -3.112 -5.673 55 HE2 PHE 27 HE2 PHE 27 32.840 -4.130 -5.369 56 HZ PHE 27 HZ PHE 27 30.836 -3.739 -6.747 57 H GLY 28 H GLY 28 26.852 -4.322 -1.352 58 H SER 29 H SER 29 25.816 -5.079 0.108 59 HA SER 29 HA SER 29 24.061 -7.251 0.919 60 HG SER 29 HG SER 29 23.784 -3.694 2.284 61 H SER 30 H SER 30 21.831 -6.056 1.809 62 HA SER 30 HA SER 30 20.738 -4.293 -0.198 63 HG SER 30 HG SER 30 19.527 -7.775 0.670 64 H ILE 31 H ILE 31 18.658 -3.480 0.341 65 HA ILE 31 HA ILE 31 17.972 -3.851 3.183 66 HB ILE 31 HB ILE 31 17.054 -1.381 1.839 67 H THR 32 H THR 32 15.649 -3.369 3.689 68 HA THR 32 HA THR 32 13.907 -4.192 1.461 69 HB THR 32 HB THR 32 12.982 -4.937 4.146 70 HG1 THR 32 HG1 THR 32 15.383 -5.986 3.090 71 H TYR 33 H TYR 33 12.434 -2.737 0.976 72 HA TYR 33 HA TYR 33 11.727 -0.689 2.941 73 HD1 TYR 33 HD1 TYR 33 14.139 -0.537 0.395 74 HD2 TYR 33 HD2 TYR 33 11.191 2.286 1.590 75 HE1 TYR 33 HE1 TYR 33 15.884 1.187 0.600 76 HE2 TYR 33 HE2 TYR 33 12.927 4.020 1.799 77 HH TYR 33 HH TYR 33 15.092 4.541 1.200 78 H SER 34 H SER 34 9.738 -0.456 3.780 79 HA SER 34 HA SER 34 7.504 -1.944 2.627 80 HG SER 34 HG SER 34 6.571 -4.024 4.868 81 H CYS 35 H CYS 35 5.412 -1.250 3.471 82 HA CYS 35 HA CYS 35 5.357 1.595 3.843 83 H ASN 36 H ASN 36 3.884 2.544 5.567 84 HA ASN 36 HA ASN 36 4.944 1.933 8.106 85 H SER 37 H SER 37 1.454 2.048 7.561 86 HA SER 37 HA SER 37 1.073 -0.699 8.327 87 HG SER 37 HG SER 37 0.865 -0.615 11.589 88 H GLY 38 H GLY 38 -0.786 -1.470 7.509 89 H TYR 39 H TYR 39 -0.344 -0.266 5.242 90 HA TYR 39 HA TYR 39 -1.669 1.350 3.159 91 HD1 TYR 39 HD1 TYR 39 -1.793 2.560 5.156 92 HD2 TYR 39 HD2 TYR 39 1.412 4.242 2.921 93 HE1 TYR 39 HE1 TYR 39 -2.588 4.807 5.725 94 HE2 TYR 39 HE2 TYR 39 0.626 6.500 3.484 95 HH TYR 39 HH TYR 39 -0.722 7.644 5.066 96 H HIS 40 H HIS 40 -0.134 1.263 1.068 97 HA HIS 40 HA HIS 40 0.693 -1.502 0.608 98 HD1 HIS 40 HD1 HIS 40 -1.238 -0.811 -3.574 99 HD2 HIS 40 HD2 HIS 40 -1.331 2.034 -0.549 100 HE1 HIS 40 HE1 HIS 40 -1.841 1.354 -4.704 101 HE2 HIS 40 HE2 HIS 40 -1.890 3.063 -2.854 102 H LEU 41 H LEU 41 2.736 -1.412 0.064 103 HA LEU 41 HA LEU 41 3.924 0.963 -1.049 104 HG LEU 41 HG LEU 41 6.476 0.537 -1.563 105 H ILE 42 H ILE 42 4.137 1.390 -3.153 106 HA ILE 42 HA ILE 42 3.578 -0.777 -5.047 107 HB ILE 42 HB ILE 42 3.814 2.034 -5.994 108 H GLY 43 H GLY 43 4.849 -1.073 -6.908 109 H GLU 44 H GLU 44 9.389 -0.519 -6.579 110 HA GLU 44 HA GLU 44 9.743 -3.304 -5.894 111 H SER 45 H SER 45 11.350 -3.477 -3.846 112 HA SER 45 HA SER 45 10.469 -1.894 -1.595 113 HG SER 45 HG SER 45 10.159 -5.748 -1.743 114 H LYS 46 H LYS 46 12.989 -2.796 -3.074 115 HA LYS 46 HA LYS 46 14.479 -3.409 -0.649 116 H SER 47 H SER 47 16.479 -2.612 -0.575 117 HA SER 47 HA SER 47 17.457 -1.102 -2.905 118 HG SER 47 HG SER 47 19.054 1.134 -1.411 119 H TYR 48 H TYR 48 19.635 -1.348 -3.575 120 HA TYR 48 HA TYR 48 21.005 -3.581 -2.187 121 HD1 TYR 48 HD1 TYR 48 19.194 -5.237 -2.961 122 HD2 TYR 48 HD2 TYR 48 19.800 -3.251 -6.667 123 HE1 TYR 48 HE1 TYR 48 16.947 -5.927 -3.691 124 HE2 TYR 48 HE2 TYR 48 17.558 -3.917 -7.409 125 HH TYR 48 HH TYR 48 15.204 -4.745 -5.641 126 H CYS 49 H CYS 49 22.828 -3.091 -1.335 127 HA CYS 49 HA CYS 49 24.171 -0.627 -1.841 128 H GLU 50 H GLU 50 24.911 -0.480 -3.902 129 HA GLU 50 HA GLU 50 26.951 -2.452 -4.697 130 H LEU 51 H LEU 51 28.083 -1.312 -6.813 131 HA LEU 51 HA LEU 51 29.349 1.055 -5.665 132 HG LEU 51 HG LEU 51 29.577 -0.176 -9.049 133 H GLY 52 H GLY 52 29.774 2.934 -6.933 134 H SER 53 H SER 53 29.793 5.351 -10.066 135 HA SER 53 HA SER 53 30.024 3.403 -12.264 136 HG SER 53 HG SER 53 30.814 5.447 -14.361 137 H THR 54 H THR 54 31.666 5.842 -10.363 138 HA THR 54 HA THR 54 34.171 5.331 -11.796 139 HB THR 54 HB THR 54 35.035 7.265 -10.477 140 HG1 THR 54 HG1 THR 54 33.625 7.120 -8.706 141 H GLY 55 H GLY 55 33.021 3.323 -10.069 142 H SER 56 H SER 56 32.328 4.242 -7.795 143 HA SER 56 HA SER 56 33.280 4.696 -5.071 144 HG SER 56 HG SER 56 32.226 7.653 -4.921 145 H MET 57 H MET 57 30.791 5.237 -3.876 146 HA MET 57 HA MET 57 29.614 2.543 -3.747 147 H VAL 58 H VAL 58 27.399 2.371 -3.594 148 HA VAL 58 HA VAL 58 25.722 4.700 -3.386 149 HB VAL 58 HB VAL 58 24.566 4.095 -5.608 150 H TRP 59 H TRP 59 23.360 4.040 -3.817 151 HA TRP 59 HA TRP 59 22.945 1.287 -2.853 152 HD1 TRP 59 HD1 TRP 59 23.614 4.352 -0.212 153 HE1 TRP 59 HE1 TRP 59 24.373 3.157 1.933 154 HE3 TRP 59 HE3 TRP 59 21.124 -0.078 -0.819 155 HZ2 TRP 59 HZ2 TRP 59 23.998 0.649 3.186 156 HZ3 TRP 59 HZ3 TRP 59 21.380 -1.821 0.899 157 HH2 TRP 59 HH2 TRP 59 22.782 -1.464 2.849 158 H ASN 60 H ASN 60 21.728 0.071 -4.128 159 HA ASN 60 HA ASN 60 20.471 1.082 -6.473 160 HA PRO 61 HA PRO 61 16.181 2.081 -6.144 161 H GLU 62 H GLU 62 16.269 3.103 -4.196 162 HA GLU 62 HA GLU 62 16.125 1.594 -1.744 163 H ALA 63 H ALA 63 14.416 4.632 -2.021 164 HA ALA 63 HA ALA 63 12.179 3.492 -0.657 165 HA PRO 64 HA PRO 64 9.861 2.910 -4.511 166 H ILE 65 H ILE 65 7.063 2.379 -4.135 167 HA ILE 65 HA ILE 65 6.189 5.036 -3.302 168 HB ILE 65 HB ILE 65 4.333 3.020 -4.454 169 H CYS 66 H CYS 66 4.023 5.144 -2.177 170 HA CYS 66 HA CYS 66 3.153 2.952 -0.601 171 H GLU 67 H GLU 67 1.090 3.277 -0.040 172 HA GLU 67 HA GLU 67 0.065 5.974 0.301 173 H SER 68 H SER 68 -2.243 5.942 1.003 174 HA SER 68 HA SER 68 -2.597 3.743 2.852 175 HG SER 68 HG SER 68 -5.574 5.451 2.662 176 H VAL 69 H VAL 69 -3.746 2.070 2.442 177 HA VAL 69 HA VAL 69 -5.053 1.340 0.222 178 HB VAL 69 HB VAL 69 -6.641 0.024 1.805 179 H LYS 70 H LYS 70 -6.270 3.042 -0.774 180 HA LYS 70 HA LYS 70 -8.674 3.779 0.685 181 H CYS 71 H CYS 71 -10.721 3.680 -0.291 182 HA CYS 71 HA CYS 71 -10.928 1.707 -2.472 183 H GLN 72 H GLN 72 -12.238 2.219 -4.107 184 HA GLN 72 HA GLN 72 -13.279 4.711 -4.430 185 H SER 73 H SER 73 -15.600 4.686 -5.553 186 HA SER 73 HA SER 73 -17.538 4.901 -3.615 187 HG SER 73 HG SER 73 -19.747 4.615 -6.634 188 HA PRO 74 HA PRO 74 -17.939 0.699 -2.263 189 HA PRO 75 HA PRO 75 -19.228 -1.712 -5.659 190 H SER 76 H SER 76 -20.976 -2.144 -7.012 191 HA SER 76 HA SER 76 -23.390 -0.610 -6.350 192 HG SER 76 HG SER 76 -24.017 0.720 -8.796 193 H ILE 77 H ILE 77 -24.504 -2.164 -5.185 194 HA ILE 77 HA ILE 77 -24.880 -4.831 -6.075 195 HB ILE 77 HB ILE 77 -26.621 -4.988 -4.372 196 H SER 78 H SER 78 -27.213 -5.678 -6.362 197 HA SER 78 HA SER 78 -28.369 -4.169 -8.575 198 HG SER 78 HG SER 78 -27.416 -7.434 -9.229 199 H ASN 79 H ASN 79 -30.316 -3.231 -8.542 200 HA ASN 79 HA ASN 79 -32.308 -2.439 -7.791 201 H GLY 80 H GLY 80 -29.734 -1.738 -6.561 202 H ARG 81 H ARG 81 -28.857 0.873 -3.140 203 HA ARG 81 HA ARG 81 -26.430 1.148 -4.725 204 HE ARG 81 HE ARG 81 -26.791 3.997 -8.047 205 1HH1 ARG 81 1HH1 ARG 81 -30.099 2.911 -8.157 206 2HH2 ARG 81 2HH2 ARG 81 -27.973 2.360 -10.878 207 H HIS 82 H HIS 82 -25.373 3.313 -3.579 208 HA HIS 82 HA HIS 82 -25.295 2.721 -0.701 209 HD1 HIS 82 HD1 HIS 82 -23.063 1.273 -3.956 210 HD2 HIS 82 HD2 HIS 82 -21.979 5.133 -2.864 211 HE1 HIS 82 HE1 HIS 82 -21.905 2.240 -5.968 212 HE2 HIS 82 HE2 HIS 82 -21.256 4.577 -5.285 213 H ASN 83 H ASN 83 -24.437 4.485 0.625 214 HA ASN 83 HA ASN 83 -25.515 7.011 -0.308 215 H GLY 84 H GLY 84 -22.688 6.758 1.788 216 H TYR 85 H TYR 85 -19.485 9.614 1.249 217 HA TYR 85 HA TYR 85 -21.136 11.763 0.111 218 HD1 TYR 85 HD1 TYR 85 -19.826 10.044 3.480 219 HD2 TYR 85 HD2 TYR 85 -22.348 13.371 2.668 220 HE1 TYR 85 HE1 TYR 85 -21.378 9.284 5.230 221 HE2 TYR 85 HE2 TYR 85 -23.908 12.623 4.417 222 HH TYR 85 HH TYR 85 -23.110 10.152 6.658 223 H GLU 86 H GLU 86 -17.949 10.371 0.345 224 HA GLU 86 HA GLU 86 -16.907 12.290 -1.604 225 H ASP 87 H ASP 87 -15.008 11.025 -2.885 226 HA ASP 87 HA ASP 87 -16.395 8.918 -4.374 227 H PHE 88 H PHE 88 -13.541 9.654 -2.543 228 HA PHE 88 HA PHE 88 -12.581 6.914 -2.817 229 HD1 PHE 88 HD1 PHE 88 -12.264 7.870 -4.683 230 HD2 PHE 88 HD2 PHE 88 -8.634 8.996 -2.777 231 HE1 PHE 88 HE1 PHE 88 -11.113 7.816 -6.851 232 HE2 PHE 88 HE2 PHE 88 -7.479 8.944 -4.935 233 HZ PHE 88 HZ PHE 88 -8.712 8.354 -6.986 234 H TYR 89 H TYR 89 -11.645 5.929 -0.846 235 HA TYR 89 HA TYR 89 -12.687 6.778 1.709 236 HD1 TYR 89 HD1 TYR 89 -14.592 5.430 -1.374 237 HD2 TYR 89 HD2 TYR 89 -15.711 5.914 2.698 238 HE1 TYR 89 HE1 TYR 89 -16.698 6.458 -2.087 239 HE2 TYR 89 HE2 TYR 89 -17.830 6.943 1.996 240 HH TYR 89 HH TYR 89 -18.407 8.232 -0.810 241 H THR 90 H THR 90 -11.782 5.214 3.443 242 HA THR 90 HA THR 90 -9.508 3.703 2.425 243 HB THR 90 HB THR 90 -8.041 4.893 4.178 244 HG1 THR 90 HG1 THR 90 -9.994 6.911 3.809 245 H ASP 91 H ASP 91 -8.142 2.988 4.510 246 HA ASP 91 HA ASP 91 -9.543 0.992 5.746 247 H GLY 92 H GLY 92 -11.452 1.527 6.609 248 H SER 93 H SER 93 -12.850 2.807 5.998 249 HA SER 93 HA SER 93 -14.855 4.791 6.797 250 HG SER 93 HG SER 93 -12.509 5.074 5.388 251 H VAL 94 H VAL 94 -17.037 4.523 6.484 252 HA VAL 94 HA VAL 94 -17.928 1.839 5.693 253 HB VAL 94 HB VAL 94 -18.856 3.382 8.118 254 H VAL 95 H VAL 95 -20.012 1.728 4.786 255 HA VAL 95 HA VAL 95 -21.379 4.258 4.250 256 HB VAL 95 HB VAL 95 -20.685 2.343 2.031 257 H THR 96 H THR 96 -23.558 4.057 3.790 258 HA THR 96 HA THR 96 -24.696 1.433 4.446 259 HB THR 96 HB THR 96 -26.728 3.387 4.460 260 HG1 THR 96 HG1 THR 96 -25.907 5.038 5.615 261 H TYR 97 H TYR 97 -25.860 0.328 3.011 262 HA TYR 97 HA TYR 97 -26.205 1.468 0.360 263 HD1 TYR 97 HD1 TYR 97 -23.797 0.096 1.466 264 HD2 TYR 97 HD2 TYR 97 -25.811 -1.617 -1.859 265 HE1 TYR 97 HE1 TYR 97 -21.665 -0.064 0.274 266 HE2 TYR 97 HE2 TYR 97 -23.674 -1.789 -3.066 267 HH TYR 97 HH TYR 97 -21.404 -1.701 -2.813 268 H SER 98 H SER 98 -28.198 1.324 -0.809 269 HA SER 98 HA SER 98 -30.603 0.880 0.793 270 HG SER 98 HG SER 98 -29.773 4.382 1.275 271 H CYS 99 H CYS 99 -32.248 0.034 -0.341 272 HA CYS 99 HA CYS 99 -31.822 -0.794 -3.014 273 H ASN 100 H ASN 100 -33.208 -0.328 -4.851 274 HA ASN 100 HA ASN 100 -33.824 2.531 -4.969 275 H SER 101 H SER 101 -35.315 0.063 -6.986 276 HA SER 101 HA SER 101 -37.793 1.124 -7.179 277 HG SER 101 HG SER 101 -39.160 -0.397 -8.497 278 H GLY 102 H GLY 102 -36.516 -0.548 -4.400 279 H TYR 103 H TYR 103 -36.023 -1.935 -3.135 280 HA TYR 103 HA TYR 103 -37.246 -4.397 -2.284 281 HD1 TYR 103 HD1 TYR 103 -35.452 -2.995 -5.350 282 HD2 TYR 103 HD2 TYR 103 -36.039 -6.861 -3.677 283 HE1 TYR 103 HE1 TYR 103 -36.202 -3.822 -7.541 284 HE2 TYR 103 HE2 TYR 103 -36.790 -7.700 -5.863 285 HH TYR 103 HH TYR 103 -36.210 -6.335 -8.655 286 H SER 104 H SER 104 -35.433 -5.663 -0.763 287 HA SER 104 HA SER 104 -35.362 -4.050 1.686 288 HG SER 104 HG SER 104 -36.583 -6.236 3.703 289 H LEU 105 H LEU 105 -33.425 -3.406 2.170 290 HA LEU 105 HA LEU 105 -31.002 -4.156 1.129 291 HG LEU 105 HG LEU 105 -30.086 -1.173 2.891 292 H ILE 106 H ILE 106 -30.191 -6.132 1.037 293 HA ILE 106 HA ILE 106 -30.752 -8.089 3.087 294 HB ILE 106 HB ILE 106 -29.115 -8.288 0.564 295 H GLY 107 H GLY 107 -29.082 -9.299 4.166 296 H ASN 108 H ASN 108 -25.293 -6.953 4.972 297 HA ASN 108 HA ASN 108 -26.669 -5.230 6.925 298 H SER 109 H SER 109 -26.885 -3.132 6.460 299 HA SER 109 HA SER 109 -26.426 -2.227 3.814 300 HG SER 109 HG SER 109 -29.092 -1.584 5.853 301 H GLY 110 H GLY 110 -24.694 -1.991 6.812 302 H VAL 111 H VAL 111 -21.161 -0.091 4.730 303 HA VAL 111 HA VAL 111 -19.956 -2.754 4.339 304 HB VAL 111 HB VAL 111 -19.756 -0.494 2.386 305 H LEU 112 H LEU 112 -17.929 -2.963 5.067 306 HA LEU 112 HA LEU 112 -16.572 -0.648 6.112 307 HG LEU 112 HG LEU 112 -14.150 -2.957 7.809 308 H CYS 113 H CYS 113 -14.859 0.394 5.332 309 HA CYS 113 HA CYS 113 -13.784 -0.470 2.733 310 H SER 114 H SER 114 -11.960 -1.602 3.098 311 HA SER 114 HA SER 114 -9.732 -0.314 4.341 312 HG SER 114 HG SER 114 -9.355 -0.981 7.209 313 H GLY 115 H GLY 115 -7.877 -1.037 3.510 314 H GLY 116 H GLY 116 -8.365 -0.621 1.290 315 H GLU 117 H GLU 117 -10.025 -2.154 0.334 316 HA GLU 117 HA GLU 117 -11.845 -1.988 -1.947 317 H TRP 118 H TRP 118 -13.831 -3.481 -1.118 318 HA TRP 118 HA TRP 118 -14.747 -2.290 1.408 319 HD1 TRP 118 HD1 TRP 118 -15.197 -1.027 -2.543 320 HE1 TRP 118 HE1 TRP 118 -15.291 1.546 -2.401 321 HE3 TRP 118 HE3 TRP 118 -17.170 -0.567 2.146 322 HZ2 TRP 118 HZ2 TRP 118 -16.105 3.495 -0.531 323 HZ3 TRP 118 HZ3 TRP 118 -17.579 1.691 3.039 324 HH2 TRP 118 HH2 TRP 118 -17.054 3.681 1.724 325 H SER 119 H SER 119 -16.311 -3.596 2.627 326 HA SER 119 HA SER 119 -16.287 -6.446 1.982 327 HG SER 119 HG SER 119 -13.709 -5.335 3.230 328 H ASP 120 H ASP 120 -17.797 -7.707 3.254 329 HA ASP 120 HA ASP 120 -19.961 -8.154 3.770 330 HA PRO 121 HA PRO 121 -21.872 -4.509 1.529 331 HA PRO 122 HA PRO 122 -25.612 -6.905 1.699 332 H THR 123 H THR 123 -27.895 -6.679 0.612 333 HA THR 123 HA THR 123 -27.648 -6.421 -2.301 334 HB THR 123 HB THR 123 -29.346 -8.665 -1.530 335 HG1 THR 123 HG1 THR 123 -27.754 -10.023 -0.839 336 H CYS 124 H CYS 124 -30.162 -7.157 -3.044 337 HA CYS 124 HA CYS 124 -32.027 -5.733 -1.319 338 H GLN 125 H GLN 125 -33.223 -7.526 -1.009 339 HA GLN 125 HA GLN 125 -34.575 -8.602 -3.388 340 H ILE 126 H ILE 126 -36.728 -9.352 -3.048 341 HA ILE 126 HA ILE 126 -38.191 -7.650 -1.231 342 HB ILE 126 HB ILE 126 -39.208 -9.720 -3.178 No H/Q in entry = 342 Start of MODEL 38 1 H ARG 7 H ARG 7 33.958 -3.686 0.628 2 HA ARG 7 HA ARG 7 33.025 -6.403 0.035 3 HE ARG 7 HE ARG 7 35.064 -6.012 4.933 4 1HH1 ARG 7 1HH1 ARG 7 34.150 -9.143 3.712 5 1HH2 ARG 7 1HH2 ARG 7 34.727 -6.899 7.007 6 H ARG 8 H ARG 8 30.603 -6.422 1.281 7 HA ARG 8 HA ARG 8 28.862 -5.478 -0.680 8 HE ARG 8 HE ARG 8 28.552 -7.491 3.463 9 1HH1 ARG 8 1HH1 ARG 8 26.513 -10.309 3.299 10 1HH2 ARG 8 1HH2 ARG 8 28.528 -7.801 5.723 11 H CYS 9 H CYS 9 26.775 -4.185 0.415 12 HA CYS 9 HA CYS 9 27.855 -1.509 0.862 13 HA PRO 10 HA PRO 10 26.687 -1.333 5.114 14 H SER 11 H SER 11 24.823 -1.038 6.588 15 HA SER 11 HA SER 11 22.607 -2.419 5.768 16 HG SER 11 HG SER 11 21.235 -0.014 8.135 17 HA PRO 12 HA PRO 12 20.860 0.572 2.839 18 H ARG 13 H ARG 13 19.060 2.058 2.878 19 HA ARG 13 HA ARG 13 18.548 3.118 5.463 20 HE ARG 13 HE ARG 13 18.313 7.082 6.169 21 1HH1 ARG 13 1HH1 ARG 13 15.327 7.904 4.576 22 1HH2 ARG 13 1HH2 ARG 13 17.934 8.910 7.478 23 H ASP 14 H ASP 14 16.232 3.646 6.108 24 HA ASP 14 HA ASP 14 14.640 1.199 5.777 25 H ILE 15 H ILE 15 12.292 1.832 6.766 26 HA ILE 15 HA ILE 15 11.299 4.282 5.531 27 HB ILE 15 HB ILE 15 11.173 2.686 3.706 28 H ASP 16 H ASP 16 9.247 4.917 6.291 29 HA ASP 16 HA ASP 16 8.504 3.697 8.834 30 H ASN 17 H ASN 17 6.197 3.307 9.272 31 HA ASN 17 HA ASN 17 4.375 1.996 8.795 32 H GLY 18 H GLY 18 6.943 1.148 7.624 33 H GLN 19 H GLN 19 7.773 -2.238 4.957 34 HA GLN 19 HA GLN 19 10.146 -2.162 6.663 35 H LEU 20 H LEU 20 11.950 -3.320 5.793 36 HA LEU 20 HA LEU 20 11.938 -3.318 2.886 37 HG LEU 20 HG LEU 20 13.736 -2.194 5.842 38 H ASP 21 H ASP 21 13.113 -5.023 1.731 39 HA ASP 21 HA ASP 21 12.962 -7.654 3.038 40 H ILE 22 H ILE 22 15.252 -7.118 3.341 41 HA ILE 22 HA ILE 22 16.961 -6.789 1.090 42 HB ILE 22 HB ILE 22 18.008 -7.707 3.732 43 H GLY 23 H GLY 23 17.090 -8.394 -0.340 44 H GLY 24 H GLY 24 19.439 -8.586 0.222 45 H VAL 25 H VAL 25 23.495 -8.390 0.235 46 HA VAL 25 HA VAL 25 22.831 -5.541 -0.123 47 HB VAL 25 HB VAL 25 24.255 -5.105 1.908 48 H ASP 26 H ASP 26 24.817 -7.889 -1.254 49 HA ASP 26 HA ASP 26 27.344 -6.578 -1.146 50 H PHE 27 H PHE 27 28.519 -5.918 -3.144 51 HA PHE 27 HA PHE 27 27.263 -3.733 -4.334 52 HD1 PHE 27 HD1 PHE 27 27.556 -2.278 -5.630 53 HD2 PHE 27 HD2 PHE 27 31.117 -4.222 -6.920 54 HE1 PHE 27 HE1 PHE 27 27.778 -0.651 -7.464 55 HE2 PHE 27 HE2 PHE 27 31.343 -2.599 -8.755 56 HZ PHE 27 HZ PHE 27 29.672 -0.812 -9.029 57 H GLY 28 H GLY 28 25.302 -4.319 -5.237 58 H SER 29 H SER 29 24.065 -5.759 -4.658 59 HA SER 29 HA SER 29 21.899 -7.521 -5.401 60 HG SER 29 HG SER 29 23.011 -9.008 -3.955 61 H SER 30 H SER 30 19.685 -7.140 -4.543 62 HA SER 30 HA SER 30 19.017 -4.285 -4.432 63 HG SER 30 HG SER 30 18.880 -6.901 -6.581 64 H ILE 31 H ILE 31 17.171 -3.746 -3.251 65 HA ILE 31 HA ILE 31 16.275 -5.860 -1.409 66 HB ILE 31 HB ILE 31 15.693 -3.044 -0.721 67 H THR 32 H THR 32 14.011 -5.394 -0.485 68 HA THR 32 HA THR 32 12.241 -4.306 -2.552 69 HB THR 32 HB THR 32 11.046 -6.578 -1.205 70 HG1 THR 32 HG1 THR 32 13.255 -7.155 -2.878 71 H TYR 33 H TYR 33 11.257 -2.646 -1.657 72 HA TYR 33 HA TYR 33 10.808 -2.569 1.204 73 HD1 TYR 33 HD1 TYR 33 13.120 -1.332 -0.683 74 HD2 TYR 33 HD2 TYR 33 10.810 0.930 2.080 75 HE1 TYR 33 HE1 TYR 33 15.188 -0.446 0.308 76 HE2 TYR 33 HE2 TYR 33 12.871 1.825 3.080 77 HH TYR 33 HH TYR 33 16.011 0.594 2.226 78 H SER 34 H SER 34 8.817 -2.294 2.240 79 HA SER 34 HA SER 34 6.374 -2.630 0.694 80 HG SER 34 HG SER 34 6.762 -6.042 0.914 81 H CYS 35 H CYS 35 4.417 -2.360 2.023 82 HA CYS 35 HA CYS 35 4.839 -0.309 4.020 83 H ASN 36 H ASN 36 3.390 -0.368 6.007 84 HA ASN 36 HA ASN 36 4.148 -2.600 7.575 85 H SER 37 H SER 37 0.805 -1.475 7.590 86 HA SER 37 HA SER 37 -0.195 -3.978 6.549 87 HG SER 37 HG SER 37 -1.641 -5.273 7.664 88 H GLY 38 H GLY 38 -2.091 -3.676 5.543 89 H TYR 39 H TYR 39 -1.244 -1.574 4.421 90 HA TYR 39 HA TYR 39 -2.032 1.143 3.597 91 HD1 TYR 39 HD1 TYR 39 -2.094 1.082 6.022 92 HD2 TYR 39 HD2 TYR 39 1.516 3.019 4.884 93 HE1 TYR 39 HE1 TYR 39 -2.481 2.791 7.737 94 HE2 TYR 39 HE2 TYR 39 1.135 4.742 6.594 95 HH TYR 39 HH TYR 39 -0.229 4.771 8.904 96 H HIS 40 H HIS 40 -0.452 1.883 1.737 97 HA HIS 40 HA HIS 40 0.078 -0.298 -0.121 98 HD1 HIS 40 HD1 HIS 40 -1.679 2.730 -3.215 99 HD2 HIS 40 HD2 HIS 40 -1.806 3.336 0.889 100 HE1 HIS 40 HE1 HIS 40 -2.198 5.173 -2.913 101 HE2 HIS 40 HE2 HIS 40 -2.270 5.519 -0.418 102 H LEU 41 H LEU 41 2.073 -0.100 -0.776 103 HA LEU 41 HA LEU 41 3.551 2.328 -0.383 104 HG LEU 41 HG LEU 41 5.987 2.073 -1.127 105 H ILE 42 H ILE 42 3.799 3.902 -1.817 106 HA ILE 42 HA ILE 42 3.032 3.372 -4.599 107 HB ILE 42 HB ILE 42 3.522 6.155 -3.661 108 H GLY 43 H GLY 43 4.229 4.622 -6.271 109 H GLU 44 H GLU 44 8.854 4.516 -6.061 110 HA GLU 44 HA GLU 44 9.176 1.945 -7.208 111 H SER 45 H SER 45 10.592 0.378 -5.669 112 HA SER 45 HA SER 45 9.724 0.051 -2.997 113 HG SER 45 HG SER 45 8.198 -2.620 -2.704 114 H LYS 46 H LYS 46 12.142 -0.001 -4.643 115 HA LYS 46 HA LYS 46 13.291 -2.417 -3.558 116 H SER 47 H SER 47 15.301 -1.981 -2.919 117 HA SER 47 HA SER 47 16.636 0.436 -3.893 118 HG SER 47 HG SER 47 17.873 1.363 -2.393 119 H TYR 48 H TYR 48 18.721 0.407 -4.837 120 HA TYR 48 HA TYR 48 19.640 -2.329 -5.501 121 HD1 TYR 48 HD1 TYR 48 17.571 -2.677 -6.917 122 HD2 TYR 48 HD2 TYR 48 18.602 1.158 -8.416 123 HE1 TYR 48 HE1 TYR 48 15.248 -2.351 -7.654 124 HE2 TYR 48 HE2 TYR 48 16.284 1.512 -9.151 125 HH TYR 48 HH TYR 48 13.721 -0.559 -8.193 126 H CYS 49 H CYS 49 21.456 -2.789 -4.600 127 HA CYS 49 HA CYS 49 23.173 -0.859 -3.430 128 H GLU 50 H GLU 50 24.095 0.548 -4.793 129 HA GLU 50 HA GLU 50 25.859 -0.576 -6.862 130 H LEU 51 H LEU 51 27.420 1.273 -7.609 131 HA LEU 51 HA LEU 51 28.942 1.960 -5.257 132 HG LEU 51 HG LEU 51 30.209 0.151 -6.539 133 H GLY 52 H GLY 52 29.842 4.118 -4.911 134 H SER 53 H SER 53 31.169 6.876 -5.347 135 HA SER 53 HA SER 53 30.960 7.707 -8.113 136 HG SER 53 HG SER 53 30.560 10.567 -8.430 137 H THR 54 H THR 54 32.889 7.830 -5.133 138 HA THR 54 HA THR 54 35.342 7.755 -6.719 139 HB THR 54 HB THR 54 36.489 8.142 -4.570 140 HG1 THR 54 HG1 THR 54 35.420 7.468 -2.897 141 H GLY 55 H GLY 55 33.345 5.444 -6.137 142 H SER 56 H SER 56 32.713 4.902 -4.093 143 HA SER 56 HA SER 56 32.827 3.024 -1.907 144 HG SER 56 HG SER 56 32.621 6.643 -2.040 145 H MET 57 H MET 57 30.857 2.059 -1.009 146 HA MET 57 HA MET 57 29.071 1.192 -3.166 147 H VAL 58 H VAL 58 27.263 2.304 -3.337 148 HA VAL 58 HA VAL 58 25.927 3.234 -0.885 149 HB VAL 58 HB VAL 58 24.904 5.004 -2.167 150 H TRP 59 H TRP 59 23.438 3.799 -1.844 151 HA TRP 59 HA TRP 59 22.479 1.253 -2.963 152 HD1 TRP 59 HD1 TRP 59 23.430 1.552 0.943 153 HE1 TRP 59 HE1 TRP 59 23.780 -0.874 1.724 154 HE3 TRP 59 HE3 TRP 59 20.136 -0.794 -2.188 155 HZ2 TRP 59 HZ2 TRP 59 22.784 -3.442 1.098 156 HZ3 TRP 59 HZ3 TRP 59 19.895 -3.238 -2.029 157 HH2 TRP 59 HH2 TRP 59 21.196 -4.527 -0.428 158 H ASN 60 H ASN 60 20.648 1.340 -4.232 159 HA ASN 60 HA ASN 60 19.977 3.979 -5.292 160 HA PRO 61 HA PRO 61 15.864 4.998 -4.040 161 H GLU 62 H GLU 62 16.032 4.160 -1.975 162 HA GLU 62 HA GLU 62 15.355 1.370 -1.524 163 H ALA 63 H ALA 63 14.380 4.223 0.368 164 HA ALA 63 HA ALA 63 11.872 2.947 0.975 165 HA PRO 64 HA PRO 64 9.808 5.373 -2.262 166 H ILE 65 H ILE 65 6.948 5.192 -2.225 167 HA ILE 65 HA ILE 65 6.392 6.813 0.127 168 HB ILE 65 HB ILE 65 4.325 6.174 -1.915 169 H CYS 66 H CYS 66 4.235 6.458 1.203 170 HA CYS 66 HA CYS 66 3.041 3.882 1.125 171 H GLU 67 H GLU 67 1.013 4.092 1.774 172 HA GLU 67 HA GLU 67 0.324 5.909 3.932 173 H SER 68 H SER 68 -2.143 5.787 4.299 174 HA SER 68 HA SER 68 -2.758 3.014 4.603 175 HG SER 68 HG SER 68 -5.090 5.756 4.535 176 H VAL 69 H VAL 69 -3.990 1.766 3.463 177 HA VAL 69 HA VAL 69 -4.634 1.982 0.906 178 HB VAL 69 HB VAL 69 -6.648 0.472 1.391 179 H LYS 70 H LYS 70 -5.474 3.720 -0.044 180 HA LYS 70 HA LYS 70 -7.867 4.994 0.997 181 H CYS 71 H CYS 71 -9.589 3.633 0.718 182 HA CYS 71 HA CYS 71 -9.976 2.239 -1.798 183 H GLN 72 H GLN 72 -11.153 2.935 -3.424 184 HA GLN 72 HA GLN 72 -12.305 5.553 -3.340 185 H SER 73 H SER 73 -14.565 5.088 -5.046 186 HA SER 73 HA SER 73 -16.619 4.935 -3.254 187 HG SER 73 HG SER 73 -18.242 3.476 -6.312 188 HA PRO 74 HA PRO 74 -16.829 0.722 -1.889 189 HA PRO 75 HA PRO 75 -17.992 -2.092 -5.061 190 H SER 76 H SER 76 -19.648 -2.611 -6.539 191 HA SER 76 HA SER 76 -22.021 -0.885 -6.323 192 HG SER 76 HG SER 76 -22.049 0.230 -9.301 193 H ILE 77 H ILE 77 -23.312 -2.358 -5.206 194 HA ILE 77 HA ILE 77 -23.640 -5.060 -5.988 195 HB ILE 77 HB ILE 77 -25.567 -5.106 -4.497 196 H SER 78 H SER 78 -25.822 -5.963 -6.575 197 HA SER 78 HA SER 78 -26.692 -4.695 -9.019 198 HG SER 78 HG SER 78 -25.507 -6.926 -9.324 199 H ASN 79 H ASN 79 -28.643 -3.765 -9.427 200 HA ASN 79 HA ASN 79 -30.540 -2.596 -8.989 201 H GLY 80 H GLY 80 -28.107 -1.999 -7.452 202 H ARG 81 H ARG 81 -27.313 0.559 -4.009 203 HA ARG 81 HA ARG 81 -24.941 1.088 -5.456 204 HE ARG 81 HE ARG 81 -28.503 5.657 -5.440 205 1HH1 ARG 81 1HH1 ARG 81 -29.107 5.007 -8.807 206 1HH2 ARG 81 1HH2 ARG 81 -29.662 7.596 -5.772 207 H HIS 82 H HIS 82 -23.979 3.300 -4.429 208 HA HIS 82 HA HIS 82 -24.265 2.978 -1.515 209 HD1 HIS 82 HD1 HIS 82 -21.353 5.686 -3.388 210 HD2 HIS 82 HD2 HIS 82 -21.456 1.748 -4.711 211 HE1 HIS 82 HE1 HIS 82 -20.302 5.717 -5.672 212 HE2 HIS 82 HE2 HIS 82 -20.375 3.323 -6.455 213 H ASN 83 H ASN 83 -23.454 4.990 -0.301 214 HA ASN 83 HA ASN 83 -23.865 7.493 -1.698 215 H GLY 84 H GLY 84 -21.984 8.374 -1.127 216 H TYR 85 H TYR 85 -19.677 10.369 2.118 217 HA TYR 85 HA TYR 85 -20.751 12.767 0.803 218 HD1 TYR 85 HD1 TYR 85 -21.301 10.554 3.439 219 HD2 TYR 85 HD2 TYR 85 -22.029 14.739 3.592 220 HE1 TYR 85 HE1 TYR 85 -23.513 10.124 4.424 221 HE2 TYR 85 HE2 TYR 85 -24.244 14.326 4.577 222 HH TYR 85 HH TYR 85 -25.229 12.164 6.050 223 H GLU 86 H GLU 86 -17.906 10.925 1.427 224 HA GLU 86 HA GLU 86 -16.178 13.045 0.406 225 H ASP 87 H ASP 87 -14.190 11.746 -0.813 226 HA ASP 87 HA ASP 87 -15.507 10.464 -3.107 227 H PHE 88 H PHE 88 -13.090 10.124 -0.672 228 HA PHE 88 HA PHE 88 -12.443 7.459 -1.733 229 HD1 PHE 88 HD1 PHE 88 -10.781 10.257 -3.259 230 HD2 PHE 88 HD2 PHE 88 -9.423 6.421 -2.025 231 HE1 PHE 88 HE1 PHE 88 -9.843 9.873 -5.499 232 HE2 PHE 88 HE2 PHE 88 -8.483 6.029 -4.257 233 HZ PHE 88 HZ PHE 88 -8.690 7.755 -6.004 234 H TYR 89 H TYR 89 -11.136 6.261 0.168 235 HA TYR 89 HA TYR 89 -12.212 6.811 2.797 236 HD1 TYR 89 HD1 TYR 89 -14.118 5.517 -0.500 237 HD2 TYR 89 HD2 TYR 89 -15.181 6.149 3.574 238 HE1 TYR 89 HE1 TYR 89 -16.199 6.609 -1.218 239 HE2 TYR 89 HE2 TYR 89 -17.266 7.243 2.864 240 HH TYR 89 HH TYR 89 -17.817 8.311 -0.238 241 H THR 90 H THR 90 -11.403 5.185 4.419 242 HA THR 90 HA THR 90 -9.129 3.603 3.519 243 HB THR 90 HB THR 90 -7.718 4.673 5.366 244 HG1 THR 90 HG1 THR 90 -9.497 6.837 5.002 245 H ASP 91 H ASP 91 -7.976 2.778 5.709 246 HA ASP 91 HA ASP 91 -9.640 0.875 6.794 247 H GLY 92 H GLY 92 -11.544 1.603 7.511 248 H SER 93 H SER 93 -12.959 2.773 6.867 249 HA SER 93 HA SER 93 -14.740 5.033 7.495 250 HG SER 93 HG SER 93 -12.310 5.685 6.077 251 H VAL 94 H VAL 94 -16.901 5.003 6.775 252 HA VAL 94 HA VAL 94 -17.910 2.360 5.983 253 HB VAL 94 HB VAL 94 -19.108 4.140 8.110 254 H VAL 95 H VAL 95 -19.909 2.352 4.890 255 HA VAL 95 HA VAL 95 -20.993 4.900 3.977 256 HB VAL 95 HB VAL 95 -20.166 2.791 1.987 257 H THR 96 H THR 96 -23.116 4.746 3.195 258 HA THR 96 HA THR 96 -24.432 2.219 3.906 259 HB THR 96 HB THR 96 -26.429 4.122 3.588 260 HG1 THR 96 HG1 THR 96 -25.036 5.834 3.567 261 H TYR 97 H TYR 97 -25.434 1.056 2.435 262 HA TYR 97 HA TYR 97 -25.341 1.920 -0.324 263 HD1 TYR 97 HD1 TYR 97 -23.281 0.925 0.915 264 HD2 TYR 97 HD2 TYR 97 -24.984 -1.870 -1.806 265 HE1 TYR 97 HE1 TYR 97 -21.046 0.435 0.029 266 HE2 TYR 97 HE2 TYR 97 -22.745 -2.376 -2.692 267 HH TYR 97 HH TYR 97 -20.215 -2.130 -1.559 268 H SER 98 H SER 98 -27.169 1.726 -1.759 269 HA SER 98 HA SER 98 -29.805 1.776 -0.488 270 HG SER 98 HG SER 98 -28.352 5.096 -2.253 271 H CYS 99 H CYS 99 -31.309 0.739 -1.652 272 HA CYS 99 HA CYS 99 -30.624 -0.537 -4.079 273 H ASN 100 H ASN 100 -31.521 -0.277 -6.166 274 HA ASN 100 HA ASN 100 -32.013 2.503 -6.830 275 H SER 101 H SER 101 -33.458 -0.476 -8.153 276 HA SER 101 HA SER 101 -35.793 0.744 -9.062 277 HG SER 101 HG SER 101 -37.095 -0.746 -10.148 278 H GLY 102 H GLY 102 -34.889 -0.101 -5.870 279 H TYR 103 H TYR 103 -34.831 -1.625 -4.684 280 HA TYR 103 HA TYR 103 -36.267 -3.772 -3.538 281 HD1 TYR 103 HD1 TYR 103 -35.213 -6.436 -4.200 282 HD2 TYR 103 HD2 TYR 103 -33.899 -3.147 -6.560 283 HE1 TYR 103 HE1 TYR 103 -35.776 -7.685 -6.241 284 HE2 TYR 103 HE2 TYR 103 -34.457 -4.388 -8.609 285 HH TYR 103 HH TYR 103 -34.721 -7.360 -8.949 286 H SER 104 H SER 104 -34.790 -4.909 -1.640 287 HA SER 104 HA SER 104 -34.852 -2.975 0.571 288 HG SER 104 HG SER 104 -36.362 -4.608 2.747 289 H LEU 105 H LEU 105 -32.902 -2.428 1.151 290 HA LEU 105 HA LEU 105 -30.508 -3.566 0.449 291 HG LEU 105 HG LEU 105 -29.211 -0.513 1.885 292 H ILE 106 H ILE 106 -29.820 -5.564 0.815 293 HA ILE 106 HA ILE 106 -30.545 -6.926 3.300 294 HB ILE 106 HB ILE 106 -29.345 -7.999 0.743 295 H GLY 107 H GLY 107 -28.912 -8.106 4.485 296 H ASN 108 H ASN 108 -28.288 -5.768 5.508 297 HA ASN 108 HA ASN 108 -28.090 -3.640 6.245 298 H SER 109 H SER 109 -27.760 -1.814 5.221 299 HA SER 109 HA SER 109 -26.333 -1.650 2.836 300 HG SER 109 HG SER 109 -27.291 1.955 4.220 301 H GLY 110 H GLY 110 -25.379 -1.041 6.102 302 H VAL 111 H VAL 111 -21.143 0.462 5.107 303 HA VAL 111 HA VAL 111 -20.079 -2.230 4.634 304 HB VAL 111 HB VAL 111 -19.579 -0.047 2.662 305 H LEU 112 H LEU 112 -18.164 -2.456 5.591 306 HA LEU 112 HA LEU 112 -16.782 -0.150 6.631 307 HG LEU 112 HG LEU 112 -14.619 -2.531 8.610 308 H CYS 113 H CYS 113 -14.939 0.751 5.921 309 HA CYS 113 HA CYS 113 -13.743 -0.354 3.472 310 H SER 114 H SER 114 -12.019 -1.593 4.009 311 HA SER 114 HA SER 114 -9.820 -0.396 5.399 312 HG SER 114 HG SER 114 -11.028 -3.549 7.626 313 H GLY 115 H GLY 115 -7.978 -1.126 4.604 314 H GLY 116 H GLY 116 -8.030 -0.742 2.296 315 H GLU 117 H GLU 117 -9.956 -2.205 1.452 316 HA GLU 117 HA GLU 117 -11.566 -2.603 -0.952 317 H TRP 118 H TRP 118 -13.701 -3.804 -0.137 318 HA TRP 118 HA TRP 118 -14.646 -2.378 2.255 319 HD1 TRP 118 HD1 TRP 118 -14.362 -1.144 -1.593 320 HE1 TRP 118 HE1 TRP 118 -14.200 1.421 -1.507 321 HE3 TRP 118 HE3 TRP 118 -17.135 -0.290 2.614 322 HZ2 TRP 118 HZ2 TRP 118 -15.120 3.519 0.120 323 HZ3 TRP 118 HZ3 TRP 118 -17.452 2.031 3.366 324 HH2 TRP 118 HH2 TRP 118 -16.460 3.899 2.143 325 H SER 119 H SER 119 -15.686 -3.581 3.748 326 HA SER 119 HA SER 119 -16.228 -6.388 3.051 327 HG SER 119 HG SER 119 -13.586 -5.839 5.315 328 H ASP 120 H ASP 120 -18.021 -7.427 4.087 329 HA ASP 120 HA ASP 120 -20.208 -7.628 4.641 330 HA PRO 121 HA PRO 121 -21.367 -4.406 1.310 331 HA PRO 122 HA PRO 122 -25.327 -6.386 1.767 332 H THR 123 H THR 123 -27.489 -6.232 0.471 333 HA THR 123 HA THR 123 -27.011 -6.529 -2.404 334 HB THR 123 HB THR 123 -28.949 -8.457 -1.368 335 HG1 THR 123 HG1 THR 123 -27.355 -9.836 -0.476 336 H CYS 124 H CYS 124 -29.450 -7.072 -3.323 337 HA CYS 124 HA CYS 124 -31.322 -5.264 -1.988 338 H GLN 125 H GLN 125 -32.686 -6.901 -1.437 339 HA GLN 125 HA GLN 125 -33.939 -8.338 -3.676 340 H ILE 126 H ILE 126 -36.158 -8.954 -3.323 341 HA ILE 126 HA ILE 126 -37.632 -6.835 -2.004 342 HB ILE 126 HB ILE 126 -38.622 -9.130 -3.696 No H/Q in entry = 342 Start of MODEL 39 1 H ARG 7 H ARG 7 33.628 -3.823 1.002 2 HA ARG 7 HA ARG 7 33.046 -2.344 3.334 3 HE ARG 7 HE ARG 7 34.702 0.200 -0.083 4 1HH1 ARG 7 1HH1 ARG 7 37.265 1.860 1.592 5 1HH2 ARG 7 1HH2 ARG 7 35.496 1.208 -1.969 6 H ARG 8 H ARG 8 30.933 -3.038 3.917 7 HA ARG 8 HA ARG 8 28.634 -2.974 2.425 8 HE ARG 8 HE ARG 8 26.941 -3.087 7.069 9 1HH1 ARG 8 1HH1 ARG 8 29.851 -4.971 7.408 10 1HH2 ARG 8 1HH2 ARG 8 27.644 -1.960 8.921 11 H CYS 9 H CYS 9 26.876 -1.447 2.335 12 HA CYS 9 HA CYS 9 27.746 1.184 1.613 13 HA PRO 10 HA PRO 10 26.644 3.222 5.411 14 H SER 11 H SER 11 24.737 4.684 6.421 15 HA SER 11 HA SER 11 22.552 2.990 6.772 16 HG SER 11 HG SER 11 20.843 5.166 8.614 17 HA PRO 12 HA PRO 12 20.701 3.713 2.703 18 H ARG 13 H ARG 13 19.115 5.098 1.947 19 HA ARG 13 HA ARG 13 18.296 7.203 3.616 20 HE ARG 13 HE ARG 13 20.078 9.980 1.177 21 1HH1 ARG 13 1HH1 ARG 13 16.846 11.266 1.024 22 1HH2 ARG 13 1HH2 ARG 13 20.671 12.004 2.046 23 H ASP 14 H ASP 14 16.113 7.825 4.165 24 HA ASP 14 HA ASP 14 14.593 5.483 4.975 25 H ILE 15 H ILE 15 12.205 6.265 5.532 26 HA ILE 15 HA ILE 15 11.104 7.789 3.282 27 HB ILE 15 HB ILE 15 11.006 5.412 2.640 28 H ASP 16 H ASP 16 9.192 8.865 3.729 29 HA ASP 16 HA ASP 16 8.682 9.331 6.510 30 H ASN 17 H ASN 17 6.355 8.594 3.910 31 HA ASN 17 HA ASN 17 4.598 7.407 5.890 32 H GLY 18 H GLY 18 6.908 5.905 5.565 33 H GLN 19 H GLN 19 7.754 1.706 4.637 34 HA GLN 19 HA GLN 19 9.602 2.235 6.838 35 H LEU 20 H LEU 20 11.581 1.485 6.393 36 HA LEU 20 HA LEU 20 12.089 0.131 3.944 37 HG LEU 20 HG LEU 20 14.152 1.440 3.238 38 H ASP 21 H ASP 21 13.262 -1.861 3.710 39 HA ASP 21 HA ASP 21 12.947 -3.755 5.931 40 H ILE 22 H ILE 22 15.216 -3.118 6.179 41 HA ILE 22 HA ILE 22 17.137 -3.636 4.172 42 HB ILE 22 HB ILE 22 17.510 -3.390 7.157 43 H GLY 23 H GLY 23 17.395 -5.591 3.350 44 H GLY 24 H GLY 24 19.669 -5.810 4.056 45 H VAL 25 H VAL 25 23.403 -5.630 4.161 46 HA VAL 25 HA VAL 25 23.081 -3.232 2.476 47 HB VAL 25 HB VAL 25 24.164 -1.928 4.229 48 H ASP 26 H ASP 26 24.584 -5.694 1.888 49 HA ASP 26 HA ASP 26 27.337 -4.668 1.922 50 H PHE 27 H PHE 27 28.561 -4.576 0.032 51 HA PHE 27 HA PHE 27 27.396 -3.572 -2.229 52 HD1 PHE 27 HD1 PHE 27 27.885 -2.980 -4.157 53 HD2 PHE 27 HD2 PHE 27 31.560 -5.091 -3.755 54 HE1 PHE 27 HE1 PHE 27 28.339 -2.644 -6.554 55 HE2 PHE 27 HE2 PHE 27 32.017 -4.760 -6.150 56 HZ PHE 27 HZ PHE 27 30.405 -3.538 -7.550 57 H GLY 28 H GLY 28 25.661 -4.628 -3.063 58 H SER 29 H SER 29 24.088 -5.376 -2.243 59 HA SER 29 HA SER 29 22.164 -7.597 -2.110 60 HG SER 29 HG SER 29 21.297 -7.948 0.055 61 H SER 30 H SER 30 20.164 -6.160 -0.698 62 HA SER 30 HA SER 30 19.416 -3.808 -2.090 63 HG SER 30 HG SER 30 17.500 -7.130 -3.153 64 H ILE 31 H ILE 31 17.560 -2.835 -1.271 65 HA ILE 31 HA ILE 31 16.574 -4.044 1.226 66 HB ILE 31 HB ILE 31 16.002 -1.190 0.679 67 H THR 32 H THR 32 14.278 -3.182 1.796 68 HA THR 32 HA THR 32 12.612 -3.149 -0.620 69 HB THR 32 HB THR 32 11.449 -4.528 1.710 70 HG1 THR 32 HG1 THR 32 13.620 -5.328 1.685 71 H TYR 33 H TYR 33 11.494 -1.356 -0.703 72 HA TYR 33 HA TYR 33 10.896 0.095 1.760 73 HD1 TYR 33 HD1 TYR 33 13.428 0.567 -0.565 74 HD2 TYR 33 HD2 TYR 33 10.877 3.435 1.268 75 HE1 TYR 33 HE1 TYR 33 15.395 1.872 0.122 76 HE2 TYR 33 HE2 TYR 33 12.839 4.748 1.960 77 HH TYR 33 HH TYR 33 16.105 3.544 1.508 78 H SER 34 H SER 34 8.883 0.475 2.543 79 HA SER 34 HA SER 34 6.563 -0.424 1.011 80 HG SER 34 HG SER 34 7.053 -0.573 4.491 81 H CYS 35 H CYS 35 4.492 0.169 2.150 82 HA CYS 35 HA CYS 35 4.767 2.870 3.187 83 H ASN 36 H ASN 36 3.273 3.531 4.999 84 HA ASN 36 HA ASN 36 3.853 2.011 7.301 85 H SER 37 H SER 37 0.535 2.985 6.591 86 HA SER 37 HA SER 37 -0.393 0.253 6.464 87 HG SER 37 HG SER 37 -0.541 -0.737 8.934 88 H GLY 38 H GLY 38 -2.269 0.089 5.344 89 H TYR 39 H TYR 39 -1.282 1.650 3.480 90 HA TYR 39 HA TYR 39 -1.930 3.994 1.810 91 HD1 TYR 39 HD1 TYR 39 -2.143 4.749 4.158 92 HD2 TYR 39 HD2 TYR 39 1.533 6.192 2.578 93 HE1 TYR 39 HE1 TYR 39 -2.609 6.965 5.116 94 HE2 TYR 39 HE2 TYR 39 1.081 8.412 3.530 95 HH TYR 39 HH TYR 39 -0.491 9.204 5.685 96 H HIS 40 H HIS 40 -0.344 4.151 -0.108 97 HA HIS 40 HA HIS 40 0.306 1.495 -1.155 98 HD1 HIS 40 HD1 HIS 40 -1.088 3.472 -5.167 99 HD2 HIS 40 HD2 HIS 40 -1.133 5.422 -1.500 100 HE1 HIS 40 HE1 HIS 40 -1.327 5.915 -5.709 101 HE2 HIS 40 HE2 HIS 40 -1.352 7.078 -3.476 102 H LEU 41 H LEU 41 2.351 1.394 -1.703 103 HA LEU 41 HA LEU 41 3.935 3.799 -1.920 104 HG LEU 41 HG LEU 41 6.436 3.269 -2.198 105 H ILE 42 H ILE 42 4.425 4.783 -3.762 106 HA ILE 42 HA ILE 42 3.924 3.345 -6.272 107 HB ILE 42 HB ILE 42 4.419 6.279 -6.274 108 H GLY 43 H GLY 43 5.349 4.030 -8.122 109 H GLU 44 H GLU 44 9.811 3.786 -7.087 110 HA GLU 44 HA GLU 44 9.979 0.961 -7.652 111 H SER 45 H SER 45 11.167 -0.245 -5.661 112 HA SER 45 HA SER 45 9.968 0.301 -3.105 113 HG SER 45 HG SER 45 8.448 -2.866 -5.138 114 H LYS 46 H LYS 46 12.644 -0.228 -4.453 115 HA LYS 46 HA LYS 46 13.736 -1.855 -2.352 116 H SER 47 H SER 47 15.655 -1.043 -1.856 117 HA SER 47 HA SER 47 17.086 0.659 -3.759 118 HG SER 47 HG SER 47 19.188 1.614 -2.214 119 H TYR 48 H TYR 48 19.127 0.095 -4.604 120 HA TYR 48 HA TYR 48 19.981 -2.624 -3.787 121 HD1 TYR 48 HD1 TYR 48 17.992 -3.531 -5.081 122 HD2 TYR 48 HD2 TYR 48 19.369 -0.807 -8.038 123 HE1 TYR 48 HE1 TYR 48 15.749 -3.503 -6.087 124 HE2 TYR 48 HE2 TYR 48 17.133 -0.758 -9.053 125 HH TYR 48 HH TYR 48 14.390 -1.972 -7.515 126 H CYS 49 H CYS 49 21.775 -2.828 -2.776 127 HA CYS 49 HA CYS 49 23.577 -0.641 -2.390 128 H GLU 50 H GLU 50 24.724 -0.028 -4.129 129 HA GLU 50 HA GLU 50 26.304 -2.111 -5.487 130 H LEU 51 H LEU 51 28.012 -0.658 -6.943 131 HA LEU 51 HA LEU 51 29.709 0.519 -4.893 132 HG LEU 51 HG LEU 51 29.650 0.578 -8.472 133 H GLY 52 H GLY 52 30.539 2.584 -4.960 134 H SER 53 H SER 53 32.179 5.279 -5.470 135 HA SER 53 HA SER 53 32.956 6.174 -8.069 136 HG SER 53 HG SER 53 35.000 7.577 -7.826 137 H THR 54 H THR 54 32.565 3.742 -8.732 138 HA THR 54 HA THR 54 33.460 1.863 -9.655 139 HB THR 54 HB THR 54 35.561 2.047 -10.657 140 HG1 THR 54 HG1 THR 54 36.333 3.878 -8.636 141 H GLY 55 H GLY 55 33.231 2.086 -6.734 142 H SER 56 H SER 56 33.651 3.007 -5.071 143 HA SER 56 HA SER 56 33.592 2.787 -2.273 144 HG SER 56 HG SER 56 33.940 5.170 -1.867 145 H MET 57 H MET 57 31.096 3.801 -1.528 146 HA MET 57 HA MET 57 29.348 1.486 -2.022 147 H VAL 58 H VAL 58 27.229 1.830 -2.467 148 HA VAL 58 HA VAL 58 26.025 4.435 -2.189 149 HB VAL 58 HB VAL 58 25.342 4.390 -4.677 150 H TRP 59 H TRP 59 23.730 4.416 -2.884 151 HA TRP 59 HA TRP 59 22.608 1.694 -2.790 152 HD1 TRP 59 HD1 TRP 59 23.511 3.786 0.683 153 HE1 TRP 59 HE1 TRP 59 23.834 1.922 2.420 154 HE3 TRP 59 HE3 TRP 59 20.472 0.228 -1.378 155 HZ2 TRP 59 HZ2 TRP 59 22.929 -0.728 2.849 156 HZ3 TRP 59 HZ3 TRP 59 20.253 -1.942 -0.242 157 HH2 TRP 59 HH2 TRP 59 21.457 -2.407 1.818 158 H ASN 60 H ASN 60 21.452 1.204 -4.507 159 HA ASN 60 HA ASN 60 20.670 3.114 -6.473 160 HA PRO 61 HA PRO 61 16.544 4.639 -6.034 161 H GLU 62 H GLU 62 16.484 4.681 -3.805 162 HA GLU 62 HA GLU 62 15.595 2.282 -2.400 163 H ALA 63 H ALA 63 14.927 5.672 -1.629 164 HA ALA 63 HA ALA 63 12.360 5.015 -0.606 165 HA PRO 64 HA PRO 64 10.219 5.919 -4.500 166 H ILE 65 H ILE 65 7.355 5.758 -4.341 167 HA ILE 65 HA ILE 65 6.828 8.107 -2.674 168 HB ILE 65 HB ILE 65 4.795 7.020 -4.548 169 H CYS 66 H CYS 66 4.552 8.189 -1.741 170 HA CYS 66 HA CYS 66 3.327 5.694 -1.034 171 H GLU 67 H GLU 67 1.265 5.947 -0.188 172 HA GLU 67 HA GLU 67 0.284 8.471 0.734 173 H SER 68 H SER 68 -2.204 8.371 0.909 174 HA SER 68 HA SER 68 -2.854 5.785 2.068 175 HG SER 68 HG SER 68 -4.923 9.232 2.463 176 H VAL 69 H VAL 69 -3.734 4.308 0.828 177 HA VAL 69 HA VAL 69 -4.782 4.547 -1.679 178 HB VAL 69 HB VAL 69 -6.220 2.467 -0.966 179 H LYS 70 H LYS 70 -6.204 6.159 -2.100 180 HA LYS 70 HA LYS 70 -8.531 6.603 -0.453 181 H CYS 71 H CYS 71 -10.304 5.387 -0.594 182 HA CYS 71 HA CYS 71 -10.882 3.981 -3.097 183 H GLN 72 H GLN 72 -12.513 4.552 -4.382 184 HA GLN 72 HA GLN 72 -14.040 6.903 -3.728 185 H SER 73 H SER 73 -16.447 6.148 -5.166 186 HA SER 73 HA SER 73 -18.099 5.397 -3.119 187 HG SER 73 HG SER 73 -19.877 3.861 -5.997 188 HA PRO 74 HA PRO 74 -17.253 1.116 -2.326 189 HA PRO 75 HA PRO 75 -18.344 -1.568 -5.635 190 H SER 76 H SER 76 -20.073 -2.155 -6.990 191 HA SER 76 HA SER 76 -22.613 -0.822 -6.332 192 HG SER 76 HG SER 76 -23.593 -1.460 -9.305 193 H ILE 77 H ILE 77 -23.569 -2.548 -5.258 194 HA ILE 77 HA ILE 77 -23.648 -5.188 -6.285 195 HB ILE 77 HB ILE 77 -25.326 -5.647 -4.599 196 H SER 78 H SER 78 -25.916 -6.257 -6.542 197 HA SER 78 HA SER 78 -27.308 -4.752 -8.643 198 HG SER 78 HG SER 78 -25.949 -8.192 -9.326 199 H ASN 79 H ASN 79 -29.458 -4.332 -8.536 200 HA ASN 79 HA ASN 79 -31.544 -4.090 -7.676 201 H GLY 80 H GLY 80 -29.161 -2.834 -6.511 202 H ARG 81 H ARG 81 -28.154 -0.769 -2.869 203 HA ARG 81 HA ARG 81 -26.176 0.304 -4.591 204 HE ARG 81 HE ARG 81 -31.670 3.583 -3.938 205 1HH1 ARG 81 1HH1 ARG 81 -28.439 4.869 -4.120 206 1HH2 ARG 81 1HH2 ARG 81 -32.193 5.486 -2.795 207 H HIS 82 H HIS 82 -25.236 2.400 -3.354 208 HA HIS 82 HA HIS 82 -24.849 1.518 -0.575 209 HD1 HIS 82 HD1 HIS 82 -23.267 1.679 -4.325 210 HD2 HIS 82 HD2 HIS 82 -22.165 5.095 -2.230 211 HE1 HIS 82 HE1 HIS 82 -22.587 3.352 -6.076 212 HE2 HIS 82 HE2 HIS 82 -21.924 5.412 -4.785 213 H ASN 83 H ASN 83 -24.097 3.385 0.890 214 HA ASN 83 HA ASN 83 -25.965 5.618 0.481 215 H GLY 84 H GLY 84 -23.205 5.606 2.677 216 H TYR 85 H TYR 85 -20.643 9.083 2.917 217 HA TYR 85 HA TYR 85 -22.792 11.045 2.505 218 HD1 TYR 85 HD1 TYR 85 -20.608 8.929 5.261 219 HD2 TYR 85 HD2 TYR 85 -24.037 11.441 5.432 220 HE1 TYR 85 HE1 TYR 85 -21.667 7.367 6.838 221 HE2 TYR 85 HE2 TYR 85 -25.105 9.886 7.009 222 HH TYR 85 HH TYR 85 -24.167 6.808 7.476 223 H GLU 86 H GLU 86 -19.368 10.408 2.223 224 HA GLU 86 HA GLU 86 -18.940 12.961 0.873 225 H ASP 87 H ASP 87 -16.941 12.482 -0.835 226 HA ASP 87 HA ASP 87 -18.220 10.804 -2.865 227 H PHE 88 H PHE 88 -15.440 10.965 -0.858 228 HA PHE 88 HA PHE 88 -14.364 8.589 -2.208 229 HD1 PHE 88 HD1 PHE 88 -13.955 11.342 -4.002 230 HD2 PHE 88 HD2 PHE 88 -10.973 8.522 -2.890 231 HE1 PHE 88 HE1 PHE 88 -13.321 11.089 -6.362 232 HE2 PHE 88 HE2 PHE 88 -10.331 8.263 -5.243 233 HZ PHE 88 HZ PHE 88 -11.504 9.547 -6.991 234 H TYR 89 H TYR 89 -12.546 7.622 -0.710 235 HA TYR 89 HA TYR 89 -13.129 7.886 2.116 236 HD1 TYR 89 HD1 TYR 89 -15.271 6.269 -0.836 237 HD2 TYR 89 HD2 TYR 89 -15.648 6.494 3.397 238 HE1 TYR 89 HE1 TYR 89 -17.642 6.865 -1.084 239 HE2 TYR 89 HE2 TYR 89 -18.023 7.091 3.157 240 HH TYR 89 HH TYR 89 -19.437 7.771 0.033 241 H THR 90 H THR 90 -11.663 6.561 3.455 242 HA THR 90 HA THR 90 -9.181 5.870 2.031 243 HB THR 90 HB THR 90 -8.024 6.755 4.167 244 HG1 THR 90 HG1 THR 90 -9.850 7.089 5.426 245 H ASP 91 H ASP 91 -7.636 4.869 3.921 246 HA ASP 91 HA ASP 91 -8.742 2.336 4.455 247 H GLY 92 H GLY 92 -10.525 2.415 5.684 248 H SER 93 H SER 93 -12.222 3.305 5.652 249 HA SER 93 HA SER 93 -14.189 4.949 7.062 250 HG SER 93 HG SER 93 -12.165 5.584 5.269 251 H VAL 94 H VAL 94 -16.514 4.602 6.526 252 HA VAL 94 HA VAL 94 -17.150 1.814 5.903 253 HB VAL 94 HB VAL 94 -18.123 3.288 8.351 254 H VAL 95 H VAL 95 -19.225 1.447 5.111 255 HA VAL 95 HA VAL 95 -20.979 3.734 4.657 256 HB VAL 95 HB VAL 95 -20.083 2.004 2.357 257 H THR 96 H THR 96 -23.126 3.162 4.235 258 HA THR 96 HA THR 96 -23.745 0.350 4.810 259 HB THR 96 HB THR 96 -26.105 1.775 5.105 260 HG1 THR 96 HG1 THR 96 -24.017 3.277 6.288 261 H TYR 97 H TYR 97 -24.791 -0.862 3.382 262 HA TYR 97 HA TYR 97 -25.454 0.312 0.807 263 HD1 TYR 97 HD1 TYR 97 -22.878 -0.545 1.604 264 HD2 TYR 97 HD2 TYR 97 -24.727 -2.836 -1.465 265 HE1 TYR 97 HE1 TYR 97 -20.832 -0.380 0.261 266 HE2 TYR 97 HE2 TYR 97 -22.676 -2.682 -2.816 267 HH TYR 97 HH TYR 97 -20.635 -0.821 -2.846 268 H SER 98 H SER 98 -27.464 -0.285 -0.294 269 HA SER 98 HA SER 98 -29.690 -1.151 1.334 270 HG SER 98 HG SER 98 -30.724 2.385 -0.081 271 H CYS 99 H CYS 99 -31.334 -1.988 0.145 272 HA CYS 99 HA CYS 99 -30.886 -2.473 -2.616 273 H ASN 100 H ASN 100 -32.565 -2.030 -4.311 274 HA ASN 100 HA ASN 100 -33.449 0.753 -4.060 275 H SER 101 H SER 101 -34.711 -1.655 -6.287 276 HA SER 101 HA SER 101 -37.321 -0.907 -6.268 277 HG SER 101 HG SER 101 -38.653 -3.526 -7.318 278 H GLY 102 H GLY 102 -35.691 -2.810 -3.827 279 H TYR 103 H TYR 103 -34.880 -4.170 -2.549 280 HA TYR 103 HA TYR 103 -35.743 -6.885 -2.033 281 HD1 TYR 103 HD1 TYR 103 -34.367 -5.126 -5.072 282 HD2 TYR 103 HD2 TYR 103 -34.169 -9.080 -3.513 283 HE1 TYR 103 HE1 TYR 103 -35.075 -6.016 -7.253 284 HE2 TYR 103 HE2 TYR 103 -34.876 -9.981 -5.687 285 HH TYR 103 HH TYR 103 -36.017 -7.937 -8.241 286 H SER 104 H SER 104 -33.742 -8.063 -0.708 287 HA SER 104 HA SER 104 -33.799 -6.751 1.921 288 HG SER 104 HG SER 104 -35.743 -8.486 2.601 289 H LEU 105 H LEU 105 -31.928 -5.783 2.277 290 HA LEU 105 HA LEU 105 -29.481 -6.131 1.150 291 HG LEU 105 HG LEU 105 -28.617 -3.327 3.212 292 H ILE 106 H ILE 106 -28.308 -7.892 0.915 293 HA ILE 106 HA ILE 106 -28.470 -10.066 2.823 294 HB ILE 106 HB ILE 106 -26.912 -9.804 0.256 295 H GLY 107 H GLY 107 -26.561 -11.009 3.786 296 H ASN 108 H ASN 108 -23.323 -7.982 4.642 297 HA ASN 108 HA ASN 108 -24.980 -6.688 6.705 298 H SER 109 H SER 109 -25.477 -4.588 6.390 299 HA SER 109 HA SER 109 -25.136 -3.450 3.831 300 HG SER 109 HG SER 109 -26.571 -1.117 6.798 301 H GLY 110 H GLY 110 -23.387 -3.180 6.827 302 H VAL 111 H VAL 111 -20.032 -0.533 5.151 303 HA VAL 111 HA VAL 111 -18.542 -2.915 4.283 304 HB VAL 111 HB VAL 111 -18.782 -0.534 2.497 305 H LEU 112 H LEU 112 -16.538 -2.837 5.031 306 HA LEU 112 HA LEU 112 -15.434 -0.389 6.055 307 HG LEU 112 HG LEU 112 -12.482 -1.533 5.831 308 H CYS 113 H CYS 113 -14.339 1.044 4.918 309 HA CYS 113 HA CYS 113 -13.245 0.350 2.317 310 H SER 114 H SER 114 -11.402 -0.801 2.515 311 HA SER 114 HA SER 114 -9.203 0.450 3.989 312 HG SER 114 HG SER 114 -8.172 -2.440 5.707 313 H GLY 115 H GLY 115 -7.117 -0.166 3.320 314 H GLY 116 H GLY 116 -7.888 1.110 0.833 315 H GLU 117 H GLU 117 -9.465 -0.763 -0.100 316 HA GLU 117 HA GLU 117 -11.282 -1.188 -2.362 317 H TRP 118 H TRP 118 -13.113 -2.738 -1.581 318 HA TRP 118 HA TRP 118 -13.987 -1.787 1.061 319 HD1 TRP 118 HD1 TRP 118 -14.516 -0.190 -2.677 320 HE1 TRP 118 HE1 TRP 118 -14.776 2.339 -2.278 321 HE3 TRP 118 HE3 TRP 118 -16.614 -0.305 1.985 322 HZ2 TRP 118 HZ2 TRP 118 -15.742 4.054 -0.265 323 HZ3 TRP 118 HZ3 TRP 118 -17.177 1.825 3.078 324 HH2 TRP 118 HH2 TRP 118 -16.748 3.963 1.973 325 H SER 119 H SER 119 -14.454 -3.275 2.546 326 HA SER 119 HA SER 119 -14.601 -6.079 1.669 327 HG SER 119 HG SER 119 -12.030 -4.598 3.701 328 H ASP 120 H ASP 120 -16.134 -7.459 2.524 329 HA ASP 120 HA ASP 120 -18.090 -8.138 3.455 330 HA PRO 121 HA PRO 121 -20.352 -4.951 0.779 331 HA PRO 122 HA PRO 122 -23.652 -7.929 1.323 332 H THR 123 H THR 123 -26.002 -8.028 0.388 333 HA THR 123 HA THR 123 -25.985 -7.483 -2.496 334 HB THR 123 HB THR 123 -27.210 -10.056 -1.785 335 HG1 THR 123 HG1 THR 123 -24.419 -9.667 -1.518 336 H CYS 124 H CYS 124 -28.355 -8.467 -3.250 337 HA CYS 124 HA CYS 124 -30.339 -7.548 -1.312 338 H GLN 125 H GLN 125 -31.201 -9.566 -1.103 339 HA GLN 125 HA GLN 125 -32.408 -10.718 -3.526 340 H ILE 126 H ILE 126 -34.325 -12.147 -2.965 341 HA ILE 126 HA ILE 126 -36.098 -10.603 -1.232 342 HB ILE 126 HB ILE 126 -36.708 -12.726 -3.289 No H/Q in entry = 342 Start of MODEL 40 1 H ARG 7 H ARG 7 33.617 -2.778 0.700 2 HA ARG 7 HA ARG 7 33.334 -0.965 2.981 3 HE ARG 7 HE ARG 7 37.471 -0.470 0.443 4 1HH1 ARG 7 1HH1 ARG 7 36.077 -1.996 -2.360 5 1HH2 ARG 7 1HH2 ARG 7 39.492 -0.951 -0.497 6 H ARG 8 H ARG 8 31.439 -1.062 3.977 7 HA ARG 8 HA ARG 8 29.040 -1.981 2.732 8 HE ARG 8 HE ARG 8 30.301 -2.758 7.874 9 1HH1 ARG 8 1HH1 ARG 8 27.122 -4.179 7.960 10 1HH2 ARG 8 1HH2 ARG 8 30.328 -3.071 10.133 11 H CYS 9 H CYS 9 27.060 -0.743 2.522 12 HA CYS 9 HA CYS 9 27.522 1.807 1.284 13 HA PRO 10 HA PRO 10 26.566 4.486 4.630 14 H SER 11 H SER 11 24.755 5.544 5.839 15 HA SER 11 HA SER 11 22.807 3.738 6.553 16 HG SER 11 HG SER 11 21.414 5.984 8.731 17 HA PRO 12 HA PRO 12 20.339 3.892 2.755 18 H ARG 13 H ARG 13 18.217 4.615 2.225 19 HA ARG 13 HA ARG 13 17.284 6.830 3.632 20 HE ARG 13 HE ARG 13 18.540 6.727 1.682 21 1HH1 ARG 13 1HH1 ARG 13 18.297 7.389 -1.729 22 1HH2 ARG 13 1HH2 ARG 13 20.605 5.879 1.208 23 H ASP 14 H ASP 14 14.740 6.779 4.205 24 HA ASP 14 HA ASP 14 14.362 4.616 6.131 25 H ILE 15 H ILE 15 12.864 7.184 4.287 26 HA ILE 15 HA ILE 15 10.806 7.524 3.435 27 HB ILE 15 HB ILE 15 11.158 5.011 2.822 28 H ASP 16 H ASP 16 8.894 8.345 4.178 29 HA ASP 16 HA ASP 16 8.547 8.213 7.070 30 H ASN 17 H ASN 17 6.693 7.624 4.116 31 HA ASN 17 HA ASN 17 4.396 6.759 5.693 32 H GLY 18 H GLY 18 6.973 5.253 5.536 33 H GLN 19 H GLN 19 7.624 0.917 5.372 34 HA GLN 19 HA GLN 19 9.735 1.853 7.193 35 H LEU 20 H LEU 20 11.719 1.158 6.679 36 HA LEU 20 HA LEU 20 12.038 -0.545 4.380 37 HG LEU 20 HG LEU 20 13.434 1.162 3.148 38 H ASP 21 H ASP 21 13.606 -2.308 4.354 39 HA ASP 21 HA ASP 21 13.748 -3.794 6.884 40 H ILE 22 H ILE 22 15.901 -2.948 6.965 41 HA ILE 22 HA ILE 22 17.800 -3.449 4.908 42 HB ILE 22 HB ILE 22 18.303 -2.824 7.818 43 H GLY 23 H GLY 23 18.175 -5.518 4.350 44 H GLY 24 H GLY 24 20.520 -5.332 5.109 45 H VAL 25 H VAL 25 24.337 -4.701 5.306 46 HA VAL 25 HA VAL 25 23.672 -2.664 3.284 47 HB VAL 25 HB VAL 25 24.705 -1.003 4.737 48 H ASP 26 H ASP 26 25.469 -5.039 2.994 49 HA ASP 26 HA ASP 26 28.043 -3.683 2.611 50 H PHE 27 H PHE 27 29.243 -4.174 0.627 51 HA PHE 27 HA PHE 27 27.832 -3.412 -1.644 52 HD1 PHE 27 HD1 PHE 27 27.993 -2.986 -3.499 53 HD2 PHE 27 HD2 PHE 27 32.009 -4.404 -3.439 54 HE1 PHE 27 HE1 PHE 27 28.198 -2.498 -5.898 55 HE2 PHE 27 HE2 PHE 27 32.215 -3.920 -5.843 56 HZ PHE 27 HZ PHE 27 30.309 -2.967 -7.075 57 H GLY 28 H GLY 28 26.052 -4.699 -2.025 58 H SER 29 H SER 29 25.036 -5.784 -0.570 59 HA SER 29 HA SER 29 23.015 -7.776 -0.165 60 HG SER 29 HG SER 29 24.498 -6.722 2.798 61 H SER 30 H SER 30 20.786 -6.627 0.705 62 HA SER 30 HA SER 30 19.880 -4.595 -1.137 63 HG SER 30 HG SER 30 20.184 -7.945 -1.531 64 H ILE 31 H ILE 31 18.041 -3.517 -0.453 65 HA ILE 31 HA ILE 31 17.081 -4.267 2.226 66 HB ILE 31 HB ILE 31 16.242 -1.644 1.205 67 H THR 32 H THR 32 14.756 -3.526 2.650 68 HA THR 32 HA THR 32 13.057 -3.994 0.295 69 HB THR 32 HB THR 32 12.025 -5.070 2.837 70 HG1 THR 32 HG1 THR 32 13.366 -6.798 2.922 71 H TYR 33 H TYR 33 11.701 -2.366 0.012 72 HA TYR 33 HA TYR 33 11.065 -0.624 2.284 73 HD1 TYR 33 HD1 TYR 33 13.576 -0.253 -0.353 74 HD2 TYR 33 HD2 TYR 33 11.017 2.507 1.632 75 HE1 TYR 33 HE1 TYR 33 15.512 1.182 0.147 76 HE2 TYR 33 HE2 TYR 33 12.947 3.944 2.136 77 HH TYR 33 HH TYR 33 16.226 2.910 1.479 78 H SER 34 H SER 34 9.057 -0.371 3.065 79 HA SER 34 HA SER 34 6.780 -1.430 1.573 80 HG SER 34 HG SER 34 7.343 -4.378 3.357 81 H CYS 35 H CYS 35 4.703 -0.721 2.456 82 HA CYS 35 HA CYS 35 4.894 1.998 3.419 83 H ASN 36 H ASN 36 3.352 2.741 5.141 84 HA ASN 36 HA ASN 36 3.904 1.399 7.556 85 H SER 37 H SER 37 0.586 2.272 6.716 86 HA SER 37 HA SER 37 -0.305 -0.474 6.753 87 HG SER 37 HG SER 37 -1.229 -1.209 9.595 88 H GLY 38 H GLY 38 -2.164 -0.733 5.626 89 H TYR 39 H TYR 39 -1.179 0.774 3.726 90 HA TYR 39 HA TYR 39 -1.883 2.959 1.879 91 HD1 TYR 39 HD1 TYR 39 -2.069 3.850 4.094 92 HD2 TYR 39 HD2 TYR 39 1.665 5.142 2.517 93 HE1 TYR 39 HE1 TYR 39 -2.494 6.114 4.956 94 HE2 TYR 39 HE2 TYR 39 1.251 7.408 3.373 95 HH TYR 39 HH TYR 39 -0.561 8.232 5.600 96 H HIS 40 H HIS 40 -0.054 2.960 0.036 97 HA HIS 40 HA HIS 40 0.464 0.262 -0.918 98 HD1 HIS 40 HD1 HIS 40 -1.107 1.834 -5.024 99 HD2 HIS 40 HD2 HIS 40 -0.969 4.161 -1.587 100 HE1 HIS 40 HE1 HIS 40 -1.318 4.213 -5.814 101 HE2 HIS 40 HE2 HIS 40 -1.233 5.605 -3.715 102 H LEU 41 H LEU 41 2.550 0.241 -1.353 103 HA LEU 41 HA LEU 41 4.039 2.639 -1.809 104 HG LEU 41 HG LEU 41 6.413 1.961 -2.720 105 H ILE 42 H ILE 42 4.836 3.441 -3.675 106 HA ILE 42 HA ILE 42 3.991 2.084 -6.143 107 HB ILE 42 HB ILE 42 4.832 4.948 -6.144 108 H GLY 43 H GLY 43 5.383 2.114 -7.974 109 H GLU 44 H GLU 44 9.905 1.862 -7.231 110 HA GLU 44 HA GLU 44 10.009 -1.003 -7.260 111 H SER 45 H SER 45 11.160 -1.962 -5.140 112 HA SER 45 HA SER 45 9.968 -0.983 -2.687 113 HG SER 45 HG SER 45 9.872 -4.460 -4.067 114 H LYS 46 H LYS 46 12.657 -1.608 -3.955 115 HA LYS 46 HA LYS 46 13.791 -2.885 -1.617 116 H SER 47 H SER 47 16.182 -2.778 -1.633 117 HA SER 47 HA SER 47 17.255 -0.705 -3.407 118 HG SER 47 HG SER 47 15.876 0.751 -2.026 119 H TYR 48 H TYR 48 18.891 -1.673 -4.419 120 HA TYR 48 HA TYR 48 20.376 -3.783 -3.101 121 HD1 TYR 48 HD1 TYR 48 18.439 -4.564 -3.817 122 HD2 TYR 48 HD2 TYR 48 19.648 -3.639 -7.790 123 HE1 TYR 48 HE1 TYR 48 16.283 -5.394 -4.658 124 HE2 TYR 48 HE2 TYR 48 17.495 -4.466 -8.643 125 HH TYR 48 HH TYR 48 15.638 -6.369 -7.419 126 H CYS 49 H CYS 49 22.195 -3.457 -2.049 127 HA CYS 49 HA CYS 49 23.486 -0.913 -2.012 128 H GLU 50 H GLU 50 24.338 -0.367 -3.945 129 HA GLU 50 HA GLU 50 26.472 -2.122 -4.968 130 H LEU 51 H LEU 51 27.735 -0.640 -6.729 131 HA LEU 51 HA LEU 51 28.889 1.465 -5.095 132 HG LEU 51 HG LEU 51 29.388 1.245 -8.674 133 H GLY 52 H GLY 52 29.240 3.594 -5.821 134 H SER 53 H SER 53 29.599 6.618 -8.009 135 HA SER 53 HA SER 53 29.950 5.501 -10.713 136 HG SER 53 HG SER 53 28.798 7.429 -12.237 137 H THR 54 H THR 54 31.539 7.246 -8.078 138 HA THR 54 HA THR 54 34.144 6.750 -9.324 139 HB THR 54 HB THR 54 35.009 8.276 -7.548 140 HG1 THR 54 HG1 THR 54 33.192 7.822 -6.101 141 H GLY 55 H GLY 55 33.269 4.406 -8.628 142 H SER 56 H SER 56 32.029 4.822 -6.187 143 HA SER 56 HA SER 56 32.557 4.612 -3.332 144 HG SER 56 HG SER 56 31.037 7.598 -2.835 145 H MET 57 H MET 57 29.986 4.808 -2.325 146 HA MET 57 HA MET 57 28.763 2.244 -3.100 147 H VAL 58 H VAL 58 26.561 2.195 -3.258 148 HA VAL 58 HA VAL 58 24.989 4.451 -2.315 149 HB VAL 58 HB VAL 58 23.886 4.548 -4.653 150 H TRP 59 H TRP 59 22.601 4.057 -3.271 151 HA TRP 59 HA TRP 59 21.982 1.199 -2.940 152 HD1 TRP 59 HD1 TRP 59 22.531 3.882 0.226 153 HE1 TRP 59 HE1 TRP 59 23.393 2.388 2.143 154 HE3 TRP 59 HE3 TRP 59 20.336 -0.528 -1.134 155 HZ2 TRP 59 HZ2 TRP 59 23.152 -0.302 2.967 156 HZ3 TRP 59 HZ3 TRP 59 20.690 -2.508 0.279 157 HH2 TRP 59 HH2 TRP 59 22.070 -2.394 2.272 158 H ASN 60 H ASN 60 20.829 0.403 -4.587 159 HA ASN 60 HA ASN 60 18.854 2.073 -5.924 160 HA PRO 61 HA PRO 61 16.892 1.891 -6.822 161 H GLU 62 H GLU 62 15.412 3.213 -5.197 162 HA GLU 62 HA GLU 62 16.875 3.327 -2.663 163 H ALA 63 H ALA 63 14.745 5.465 -1.927 164 HA ALA 63 HA ALA 63 12.875 3.631 -0.723 165 HA PRO 64 HA PRO 64 10.363 4.875 -4.453 166 H ILE 65 H ILE 65 7.668 4.593 -4.180 167 HA ILE 65 HA ILE 65 7.032 6.820 -2.403 168 HB ILE 65 HB ILE 65 5.109 5.645 -4.356 169 H CYS 66 H CYS 66 4.871 6.826 -1.364 170 HA CYS 66 HA CYS 66 3.550 4.367 -0.783 171 H GLU 67 H GLU 67 1.491 4.992 -0.714 172 HA GLU 67 HA GLU 67 0.782 7.372 0.838 173 H SER 68 H SER 68 -1.766 7.553 0.797 174 HA SER 68 HA SER 68 -2.716 5.001 1.814 175 HG SER 68 HG SER 68 -5.345 7.633 1.531 176 H VAL 69 H VAL 69 -3.274 3.684 0.177 177 HA VAL 69 HA VAL 69 -4.484 4.399 -2.220 178 HB VAL 69 HB VAL 69 -3.302 2.316 -1.928 179 H LYS 70 H LYS 70 -6.324 5.538 -2.162 180 HA LYS 70 HA LYS 70 -8.351 5.099 -0.184 181 H CYS 71 H CYS 71 -10.662 5.000 -0.812 182 HA CYS 71 HA CYS 71 -11.157 3.241 -3.116 183 H GLN 72 H GLN 72 -12.564 4.112 -4.488 184 HA GLN 72 HA GLN 72 -13.882 6.557 -3.868 185 H SER 73 H SER 73 -16.401 6.004 -5.239 186 HA SER 73 HA SER 73 -18.034 5.483 -3.087 187 HG SER 73 HG SER 73 -20.218 6.546 -4.199 188 HA PRO 74 HA PRO 74 -17.753 1.141 -2.348 189 HA PRO 75 HA PRO 75 -18.842 -1.310 -5.814 190 H SER 76 H SER 76 -20.580 -1.804 -7.201 191 HA SER 76 HA SER 76 -23.060 -0.387 -6.518 192 HG SER 76 HG SER 76 -23.623 -0.146 -10.110 193 H ILE 77 H ILE 77 -24.001 -2.105 -5.347 194 HA ILE 77 HA ILE 77 -24.316 -4.713 -6.431 195 HB ILE 77 HB ILE 77 -25.904 -5.108 -4.631 196 H SER 78 H SER 78 -26.580 -5.664 -6.689 197 HA SER 78 HA SER 78 -27.986 -4.023 -8.648 198 HG SER 78 HG SER 78 -26.797 -5.944 -9.943 199 H ASN 79 H ASN 79 -30.040 -3.312 -8.446 200 HA ASN 79 HA ASN 79 -31.937 -2.610 -7.415 201 H GLY 80 H GLY 80 -29.345 -2.007 -6.203 202 H ARG 81 H ARG 81 -28.589 0.184 -2.470 203 HA ARG 81 HA ARG 81 -26.301 1.009 -4.074 204 HE ARG 81 HE ARG 81 -30.145 2.834 -6.933 205 1HH1 ARG 81 1HH1 ARG 81 -27.943 5.507 -7.305 206 1HH2 ARG 81 1HH2 ARG 81 -30.853 3.330 -9.042 207 H HIS 82 H HIS 82 -25.522 3.150 -2.670 208 HA HIS 82 HA HIS 82 -25.212 2.212 0.098 209 HD1 HIS 82 HD1 HIS 82 -22.370 1.317 -3.150 210 HD2 HIS 82 HD2 HIS 82 -23.049 5.304 -2.196 211 HE1 HIS 82 HE1 HIS 82 -21.668 2.623 -5.178 212 HE2 HIS 82 HE2 HIS 82 -22.085 5.034 -4.581 213 H ASN 83 H ASN 83 -24.571 3.845 1.638 214 HA ASN 83 HA ASN 83 -25.503 6.524 0.834 215 H GLY 84 H GLY 84 -23.432 7.143 0.091 216 H TYR 85 H TYR 85 -20.068 8.875 2.674 217 HA TYR 85 HA TYR 85 -21.731 11.286 2.872 218 HD1 TYR 85 HD1 TYR 85 -22.692 9.526 4.419 219 HD2 TYR 85 HD2 TYR 85 -18.817 9.433 6.172 220 HE1 TYR 85 HE1 TYR 85 -23.305 7.489 5.653 221 HE2 TYR 85 HE2 TYR 85 -19.419 7.396 7.410 222 HH TYR 85 HH TYR 85 -21.819 6.384 8.233 223 H GLU 86 H GLU 86 -18.555 10.127 2.008 224 HA GLU 86 HA GLU 86 -17.866 12.779 0.985 225 H ASP 87 H ASP 87 -16.053 12.353 -0.860 226 HA ASP 87 HA ASP 87 -17.519 10.992 -2.989 227 H PHE 88 H PHE 88 -14.676 10.737 -1.056 228 HA PHE 88 HA PHE 88 -14.024 8.202 -2.377 229 HD1 PHE 88 HD1 PHE 88 -13.671 10.463 -4.280 230 HD2 PHE 88 HD2 PHE 88 -10.383 7.981 -3.232 231 HE1 PHE 88 HE1 PHE 88 -13.225 10.061 -6.660 232 HE2 PHE 88 HE2 PHE 88 -9.928 7.571 -5.605 233 HZ PHE 88 HZ PHE 88 -11.348 8.610 -7.334 234 H TYR 89 H TYR 89 -12.432 6.928 -0.931 235 HA TYR 89 HA TYR 89 -12.932 7.424 1.907 236 HD1 TYR 89 HD1 TYR 89 -15.091 6.348 -0.900 237 HD2 TYR 89 HD2 TYR 89 -15.544 5.673 3.277 238 HE1 TYR 89 HE1 TYR 89 -17.435 7.063 -1.045 239 HE2 TYR 89 HE2 TYR 89 -17.889 6.390 3.142 240 HH TYR 89 HH TYR 89 -19.678 6.392 0.927 241 H THR 90 H THR 90 -11.542 6.184 3.337 242 HA THR 90 HA THR 90 -9.028 5.403 2.009 243 HB THR 90 HB THR 90 -7.982 6.234 4.234 244 HG1 THR 90 HG1 THR 90 -9.459 6.921 5.557 245 H ASP 91 H ASP 91 -7.561 4.237 3.710 246 HA ASP 91 HA ASP 91 -8.757 1.774 4.293 247 H GLY 92 H GLY 92 -10.518 1.948 5.544 248 H SER 93 H SER 93 -12.151 2.947 5.539 249 HA SER 93 HA SER 93 -14.016 4.673 7.007 250 HG SER 93 HG SER 93 -11.989 5.496 5.344 251 H VAL 94 H VAL 94 -16.341 4.453 6.548 252 HA VAL 94 HA VAL 94 -17.152 1.853 5.531 253 HB VAL 94 HB VAL 94 -17.754 2.767 8.343 254 H VAL 95 H VAL 95 -19.155 1.756 4.713 255 HA VAL 95 HA VAL 95 -21.024 3.937 5.070 256 HB VAL 95 HB VAL 95 -19.984 4.792 3.174 257 H THR 96 H THR 96 -23.173 3.351 4.648 258 HA THR 96 HA THR 96 -23.584 0.463 4.758 259 HB THR 96 HB THR 96 -26.058 1.656 5.104 260 HG1 THR 96 HG1 THR 96 -24.097 3.232 6.409 261 H TYR 97 H TYR 97 -25.378 -0.520 3.612 262 HA TYR 97 HA TYR 97 -25.777 0.695 0.972 263 HD1 TYR 97 HD1 TYR 97 -23.237 -0.260 1.695 264 HD2 TYR 97 HD2 TYR 97 -25.209 -2.289 -1.477 265 HE1 TYR 97 HE1 TYR 97 -21.230 -0.032 0.325 266 HE2 TYR 97 HE2 TYR 97 -23.189 -2.082 -2.866 267 HH TYR 97 HH TYR 97 -20.650 -1.795 -2.398 268 H SER 98 H SER 98 -27.821 0.381 -0.089 269 HA SER 98 HA SER 98 -30.057 -0.414 1.600 270 HG SER 98 HG SER 98 -29.333 2.948 -0.009 271 H CYS 99 H CYS 99 -31.806 -1.116 0.469 272 HA CYS 99 HA CYS 99 -31.433 -1.618 -2.316 273 H ASN 100 H ASN 100 -32.620 -0.877 -4.055 274 HA ASN 100 HA ASN 100 -33.527 1.834 -3.825 275 H SER 101 H SER 101 -35.197 -0.613 -5.750 276 HA SER 101 HA SER 101 -37.711 0.486 -5.522 277 HG SER 101 HG SER 101 -38.909 -0.766 -7.351 278 H GLY 102 H GLY 102 -35.995 -1.391 -3.190 279 H TYR 103 H TYR 103 -35.455 -3.099 -2.469 280 HA TYR 103 HA TYR 103 -36.425 -5.670 -1.796 281 HD1 TYR 103 HD1 TYR 103 -34.924 -3.755 -4.722 282 HD2 TYR 103 HD2 TYR 103 -35.136 -7.855 -3.603 283 HE1 TYR 103 HE1 TYR 103 -35.751 -4.320 -6.968 284 HE2 TYR 103 HE2 TYR 103 -35.963 -8.431 -5.846 285 HH TYR 103 HH TYR 103 -35.653 -7.106 -8.317 286 H SER 104 H SER 104 -34.450 -7.050 -0.600 287 HA SER 104 HA SER 104 -34.348 -5.862 2.082 288 HG SER 104 HG SER 104 -36.463 -8.625 2.135 289 H LEU 105 H LEU 105 -32.425 -4.989 2.405 290 HA LEU 105 HA LEU 105 -30.026 -5.435 1.202 291 HG LEU 105 HG LEU 105 -29.063 -2.658 3.255 292 H ILE 106 H ILE 106 -28.966 -7.249 0.896 293 HA ILE 106 HA ILE 106 -29.190 -9.438 2.791 294 HB ILE 106 HB ILE 106 -27.802 -9.290 0.119 295 H GLY 107 H GLY 107 -27.247 -10.630 3.448 296 H ASN 108 H ASN 108 -23.559 -8.060 4.121 297 HA ASN 108 HA ASN 108 -24.695 -6.732 6.489 298 H SER 109 H SER 109 -25.482 -4.743 6.265 299 HA SER 109 HA SER 109 -25.460 -3.389 3.766 300 HG SER 109 HG SER 109 -27.900 -2.992 6.705 301 H GLY 110 H GLY 110 -23.604 -3.134 6.722 302 H VAL 111 H VAL 111 -20.436 -0.540 4.775 303 HA VAL 111 HA VAL 111 -18.942 -2.994 4.128 304 HB VAL 111 HB VAL 111 -19.000 -0.597 2.346 305 H LEU 112 H LEU 112 -16.711 -2.920 4.268 306 HA LEU 112 HA LEU 112 -15.662 -0.549 5.634 307 HG LEU 112 HG LEU 112 -12.739 -1.796 5.462 308 H CYS 113 H CYS 113 -14.410 0.826 4.619 309 HA CYS 113 HA CYS 113 -13.276 0.162 2.022 310 H SER 114 H SER 114 -11.478 -1.024 2.142 311 HA SER 114 HA SER 114 -9.262 -0.016 3.744 312 HG SER 114 HG SER 114 -9.755 -2.095 6.315 313 H GLY 115 H GLY 115 -7.212 -0.811 3.116 314 H GLY 116 H GLY 116 -7.965 0.519 0.780 315 H GLU 117 H GLU 117 -9.434 -1.153 -0.563 316 HA GLU 117 HA GLU 117 -11.495 -0.661 -2.596 317 H TRP 118 H TRP 118 -13.381 -2.363 -2.015 318 HA TRP 118 HA TRP 118 -14.079 -1.757 0.773 319 HD1 TRP 118 HD1 TRP 118 -15.073 0.135 -2.789 320 HE1 TRP 118 HE1 TRP 118 -15.427 2.594 -2.109 321 HE3 TRP 118 HE3 TRP 118 -16.560 -0.587 2.042 322 HZ2 TRP 118 HZ2 TRP 118 -16.273 4.030 0.206 323 HZ3 TRP 118 HZ3 TRP 118 -17.110 1.374 3.416 324 HH2 TRP 118 HH2 TRP 118 -16.978 3.633 2.507 325 H SER 119 H SER 119 -15.350 -3.343 1.941 326 HA SER 119 HA SER 119 -15.149 -6.083 0.933 327 HG SER 119 HG SER 119 -12.464 -4.785 3.081 328 H ASP 120 H ASP 120 -16.599 -7.547 1.837 329 HA ASP 120 HA ASP 120 -18.519 -8.274 2.807 330 HA PRO 121 HA PRO 121 -20.864 -4.802 0.601 331 HA PRO 122 HA PRO 122 -24.296 -7.610 1.074 332 H THR 123 H THR 123 -26.684 -7.554 0.229 333 HA THR 123 HA THR 123 -26.728 -6.971 -2.647 334 HB THR 123 HB THR 123 -28.176 -9.413 -1.965 335 HG1 THR 123 HG1 THR 123 -26.230 -10.664 -1.808 336 H CYS 124 H CYS 124 -29.207 -7.721 -3.320 337 HA CYS 124 HA CYS 124 -31.031 -6.694 -1.290 338 H GLN 125 H GLN 125 -32.104 -8.578 -1.123 339 HA GLN 125 HA GLN 125 -33.492 -9.525 -3.536 340 H ILE 126 H ILE 126 -35.584 -10.478 -3.170 341 HA ILE 126 HA ILE 126 -37.103 -8.983 -1.217 342 HB ILE 126 HB ILE 126 -38.016 -10.988 -3.283 No H/Q in entry = 342 Start of MODEL 41 1 H ARG 7 H ARG 7 -34.340 -4.162 -0.837 2 HA ARG 7 HA ARG 7 -33.409 -2.704 -3.126 3 HE ARG 7 HE ARG 7 -37.144 -0.903 -4.251 4 1HH1 ARG 7 1HH1 ARG 7 -35.495 1.325 -2.142 5 1HH2 ARG 7 1HH2 ARG 7 -38.830 0.635 -4.295 6 H ARG 8 H ARG 8 -31.406 -1.907 -3.544 7 HA ARG 8 HA ARG 8 -29.263 -2.659 -1.663 8 HE ARG 8 HE ARG 8 -29.256 -2.389 -7.436 9 1HH1 ARG 8 1HH1 ARG 8 -27.350 -5.298 -7.268 10 2HH2 ARG 8 2HH2 ARG 8 -27.170 -3.235 -10.086 11 H CYS 9 H CYS 9 -27.165 -1.368 -2.338 12 HA CYS 9 HA CYS 9 -27.891 1.434 -2.024 13 HA PRO 10 HA PRO 10 -26.688 2.746 -6.041 14 H SER 11 H SER 11 -24.769 3.659 -7.334 15 HA SER 11 HA SER 11 -22.675 1.879 -7.348 16 HG SER 11 HG SER 11 -20.895 2.674 -8.937 17 HA PRO 12 HA PRO 12 -20.720 3.040 -3.425 18 H ARG 13 H ARG 13 -19.160 4.495 -2.884 19 HA ARG 13 HA ARG 13 -18.157 6.265 -4.794 20 HE ARG 13 HE ARG 13 -19.889 9.643 -2.246 21 1HH1 ARG 13 1HH1 ARG 13 -16.504 10.211 -2.829 22 1HH2 ARG 13 1HH2 ARG 13 -20.240 11.649 -3.274 23 H ASP 14 H ASP 14 -15.809 6.690 -5.215 24 HA ASP 14 HA ASP 14 -14.451 4.118 -5.647 25 H ILE 15 H ILE 15 -12.034 4.800 -6.406 26 HA ILE 15 HA ILE 15 -10.878 6.617 -4.428 27 HB ILE 15 HB ILE 15 -10.871 4.405 -3.367 28 H ASP 16 H ASP 16 -8.911 7.505 -5.057 29 HA ASP 16 HA ASP 16 -8.472 7.566 -7.869 30 H ASN 17 H ASN 17 -6.105 6.894 -5.288 31 HA ASN 17 HA ASN 17 -4.492 5.422 -7.210 32 H GLY 18 H GLY 18 -7.049 4.324 -6.126 33 H GLN 19 H GLN 19 -7.977 0.211 -4.877 34 HA GLN 19 HA GLN 19 -9.857 0.527 -7.093 35 H LEU 20 H LEU 20 -11.864 -0.253 -6.648 36 HA LEU 20 HA LEU 20 -12.397 -1.017 -3.930 37 HG LEU 20 HG LEU 20 -13.544 1.026 -6.609 38 H ASP 21 H ASP 21 -13.848 -2.820 -3.407 39 HA ASP 21 HA ASP 21 -13.625 -5.131 -5.193 40 H ILE 22 H ILE 22 -15.844 -4.257 -5.524 41 HA ILE 22 HA ILE 22 -17.765 -4.344 -3.444 42 HB ILE 22 HB ILE 22 -18.227 -4.447 -6.425 43 H GLY 23 H GLY 23 -18.109 -6.207 -2.405 44 H GLY 24 H GLY 24 -20.442 -6.281 -3.283 45 H VAL 25 H VAL 25 -24.338 -5.838 -3.531 46 HA VAL 25 HA VAL 25 -23.705 -3.275 -2.220 47 HB VAL 25 HB VAL 25 -24.865 -2.145 -4.043 48 H ASP 26 H ASP 26 -25.360 -5.547 -1.211 49 HA ASP 26 HA ASP 26 -28.043 -4.395 -1.208 50 H PHE 27 H PHE 27 -29.166 -3.875 0.735 51 HA PHE 27 HA PHE 27 -27.745 -2.340 2.572 52 HD1 PHE 27 HD1 PHE 27 -27.870 -1.557 4.414 53 HD2 PHE 27 HD2 PHE 27 -32.029 -2.479 4.445 54 HE1 PHE 27 HE1 PHE 27 -28.100 -0.441 6.593 55 HE2 PHE 27 HE2 PHE 27 -32.261 -1.364 6.626 56 HZ PHE 27 HZ PHE 27 -30.296 -0.344 7.702 57 H GLY 28 H GLY 28 -26.005 -3.456 3.411 58 H SER 29 H SER 29 -25.033 -4.951 2.471 59 HA SER 29 HA SER 29 -23.095 -7.045 2.760 60 HG SER 29 HG SER 29 -24.304 -4.340 0.732 61 H SER 30 H SER 30 -20.888 -6.126 1.377 62 HA SER 30 HA SER 30 -19.941 -3.693 2.582 63 HG SER 30 HG SER 30 -18.818 -7.049 4.469 64 H ILE 31 H ILE 31 -17.948 -2.973 1.769 65 HA ILE 31 HA ILE 31 -17.070 -4.352 -0.685 66 HB ILE 31 HB ILE 31 -16.284 -1.537 -0.419 67 H THR 32 H THR 32 -14.744 -3.777 -1.275 68 HA THR 32 HA THR 32 -13.086 -3.449 1.126 69 HB THR 32 HB THR 32 -12.053 -5.317 -0.924 70 HG1 THR 32 HG1 THR 32 -13.497 -6.817 -0.650 71 H TYR 33 H TYR 33 -11.944 -1.673 0.847 72 HA TYR 33 HA TYR 33 -11.276 -0.735 -1.811 73 HD1 TYR 33 HD1 TYR 33 -13.662 0.304 0.472 74 HD2 TYR 33 HD2 TYR 33 -10.932 2.630 -1.819 75 HE1 TYR 33 HE1 TYR 33 -15.531 1.675 -0.357 76 HE2 TYR 33 HE2 TYR 33 -12.793 4.006 -2.654 77 HH TYR 33 HH TYR 33 -15.118 4.620 -1.885 78 H SER 34 H SER 34 -9.280 -0.665 -2.723 79 HA SER 34 HA SER 34 -6.995 -1.602 -1.143 80 HG SER 34 HG SER 34 -5.763 -3.438 -1.869 81 H CYS 35 H CYS 35 -4.906 -1.308 -2.427 82 HA CYS 35 HA CYS 35 -4.979 1.351 -3.606 83 H ASN 36 H ASN 36 -3.667 1.804 -5.546 84 HA ASN 36 HA ASN 36 -4.419 0.176 -7.697 85 H SER 37 H SER 37 -1.010 0.933 -7.092 86 HA SER 37 HA SER 37 -0.280 -1.849 -6.910 87 HG SER 37 HG SER 37 0.429 -2.910 -9.737 88 H GLY 38 H GLY 38 1.556 -2.083 -5.771 89 H TYR 39 H TYR 39 0.772 -0.241 -4.087 90 HA TYR 39 HA TYR 39 1.706 2.156 -2.647 91 HD1 TYR 39 HD1 TYR 39 1.951 2.653 -4.996 92 HD2 TYR 39 HD2 TYR 39 -1.574 4.585 -3.608 93 HE1 TYR 39 HE1 TYR 39 2.613 4.701 -6.186 94 HE2 TYR 39 HE2 TYR 39 -0.924 6.639 -4.793 95 HH TYR 39 HH TYR 39 0.595 7.152 -6.894 96 H HIS 40 H HIS 40 0.206 2.649 -0.706 97 HA HIS 40 HA HIS 40 -0.577 0.164 0.636 98 HD1 HIS 40 HD1 HIS 40 1.338 2.477 4.315 99 HD2 HIS 40 HD2 HIS 40 0.872 4.031 0.492 100 HE1 HIS 40 HE1 HIS 40 1.704 4.954 4.547 101 HE2 HIS 40 HE2 HIS 40 1.417 5.875 2.220 102 H LEU 41 H LEU 41 -2.486 0.230 1.624 103 HA LEU 41 HA LEU 41 -4.036 2.670 1.421 104 HG LEU 41 HG LEU 41 -6.261 2.319 0.924 105 H ILE 42 H ILE 42 -4.575 3.961 3.080 106 HA ILE 42 HA ILE 42 -3.683 3.140 5.756 107 HB ILE 42 HB ILE 42 -4.422 5.969 5.190 108 H GLY 43 H GLY 43 -4.966 3.638 7.588 109 H GLU 44 H GLU 44 -9.526 3.393 7.108 110 HA GLU 44 HA GLU 44 -9.547 0.526 7.502 111 H SER 45 H SER 45 -10.943 -0.616 5.622 112 HA SER 45 HA SER 45 -10.094 0.167 2.973 113 HG SER 45 HG SER 45 -8.707 -3.340 4.393 114 H LYS 46 H LYS 46 -12.566 -0.419 4.572 115 HA LYS 46 HA LYS 46 -13.851 -2.097 2.571 116 H SER 47 H SER 47 -15.964 -1.605 2.207 117 HA SER 47 HA SER 47 -17.077 0.636 3.763 118 HG SER 47 HG SER 47 -15.816 1.692 1.635 119 H TYR 48 H TYR 48 -19.276 0.547 4.348 120 HA TYR 48 HA TYR 48 -20.497 -2.114 4.042 121 HD1 TYR 48 HD1 TYR 48 -18.565 -2.665 5.060 122 HD2 TYR 48 HD2 TYR 48 -19.805 -0.332 8.391 123 HE1 TYR 48 HE1 TYR 48 -16.394 -3.067 6.138 124 HE2 TYR 48 HE2 TYR 48 -17.637 -0.727 9.482 125 HH TYR 48 HH TYR 48 -15.771 -2.815 9.166 126 H CYS 49 H CYS 49 -22.321 -2.159 2.955 127 HA CYS 49 HA CYS 49 -23.657 0.218 2.119 128 H GLU 50 H GLU 50 -24.009 1.090 4.238 129 HA GLU 50 HA GLU 50 -26.178 -0.187 5.741 130 H LEU 51 H LEU 51 -27.497 1.642 6.982 131 HA LEU 51 HA LEU 51 -28.859 3.074 4.861 132 HG LEU 51 HG LEU 51 -28.974 3.758 8.393 133 H GLY 52 H GLY 52 -29.621 5.306 5.220 134 H SER 53 H SER 53 -29.540 9.138 6.411 135 HA SER 53 HA SER 53 -29.861 8.808 9.288 136 HG SER 53 HG SER 53 -28.293 11.062 7.397 137 H THR 54 H THR 54 -31.803 9.370 6.387 138 HA THR 54 HA THR 54 -34.253 9.134 7.971 139 HB THR 54 HB THR 54 -35.389 9.831 5.863 140 HG1 THR 54 HG1 THR 54 -33.525 9.018 4.558 141 H GLY 55 H GLY 55 -32.883 6.782 7.866 142 H SER 56 H SER 56 -32.280 6.588 5.217 143 HA SER 56 HA SER 56 -32.970 5.255 2.769 144 HG SER 56 HG SER 56 -32.059 7.567 0.951 145 H MET 57 H MET 57 -30.502 5.189 1.444 146 HA MET 57 HA MET 57 -29.019 3.134 2.917 147 H VAL 58 H VAL 58 -26.932 3.550 3.087 148 HA VAL 58 HA VAL 58 -25.600 5.131 1.013 149 HB VAL 58 HB VAL 58 -24.360 6.328 2.899 150 H TRP 59 H TRP 59 -23.212 5.112 1.291 151 HA TRP 59 HA TRP 59 -22.349 2.463 2.210 152 HD1 TRP 59 HD1 TRP 59 -23.039 3.882 -1.650 153 HE1 TRP 59 HE1 TRP 59 -23.765 1.756 -2.909 154 HE3 TRP 59 HE3 TRP 59 -20.566 0.396 1.155 155 HZ2 TRP 59 HZ2 TRP 59 -23.331 -1.035 -2.734 156 HZ3 TRP 59 HZ3 TRP 59 -20.773 -1.976 0.541 157 HH2 TRP 59 HH2 TRP 59 -22.119 -2.667 -1.354 158 H ASN 60 H ASN 60 -21.076 2.281 3.936 159 HA ASN 60 HA ASN 60 -19.292 4.401 4.745 160 HA PRO 61 HA PRO 61 -17.539 4.691 6.065 161 H GLU 62 H GLU 62 -15.738 5.500 4.384 162 HA GLU 62 HA GLU 62 -16.743 4.737 1.744 163 H ALA 63 H ALA 63 -14.654 6.357 0.452 164 HA ALA 63 HA ALA 63 -12.679 4.324 0.162 165 HA PRO 64 HA PRO 64 -10.206 6.008 3.567 166 H ILE 65 H ILE 65 -7.336 5.283 3.268 167 HA ILE 65 HA ILE 65 -6.664 7.341 1.286 168 HB ILE 65 HB ILE 65 -4.734 6.383 3.338 169 H CYS 66 H CYS 66 -4.508 7.089 0.225 170 HA CYS 66 HA CYS 66 -3.362 4.479 0.014 171 H GLU 67 H GLU 67 -1.273 4.771 -0.370 172 HA GLU 67 HA GLU 67 -0.405 6.887 -2.185 173 H SER 68 H SER 68 2.186 6.748 -2.205 174 HA SER 68 HA SER 68 2.739 4.028 -3.043 175 HG SER 68 HG SER 68 5.898 5.663 -3.101 176 H VAL 69 H VAL 69 3.617 2.580 -1.772 177 HA VAL 69 HA VAL 69 4.413 2.893 0.829 178 HB VAL 69 HB VAL 69 5.719 0.771 0.523 179 H LYS 70 H LYS 70 5.778 4.597 1.258 180 HA LYS 70 HA LYS 70 8.180 5.073 -0.190 181 H CYS 71 H CYS 71 10.281 4.503 0.262 182 HA CYS 71 HA CYS 71 10.650 2.588 2.470 183 H GLN 72 H GLN 72 11.993 3.197 4.006 184 HA GLN 72 HA GLN 72 13.294 5.588 4.031 185 H SER 73 H SER 73 15.643 5.488 5.033 186 HA SER 73 HA SER 73 17.464 5.265 2.974 187 HG SER 73 HG SER 73 19.580 5.138 6.214 188 HA PRO 74 HA PRO 74 17.500 0.840 2.364 189 HA PRO 75 HA PRO 75 19.023 -1.059 6.008 190 H SER 76 H SER 76 20.908 -1.397 7.244 191 HA SER 76 HA SER 76 23.297 -0.092 6.126 192 HG SER 76 HG SER 76 21.472 0.988 9.327 193 H ILE 77 H ILE 77 24.241 -1.920 5.240 194 HA ILE 77 HA ILE 77 24.588 -4.361 6.640 195 HB ILE 77 HB ILE 77 26.149 -4.972 4.874 196 H SER 78 H SER 78 26.871 -5.288 6.925 197 HA SER 78 HA SER 78 28.304 -3.503 8.718 198 HG SER 78 HG SER 78 28.891 -7.382 8.003 199 H ASN 79 H ASN 79 30.303 -2.695 8.381 200 HA ASN 79 HA ASN 79 32.213 -2.088 7.313 201 H GLY 80 H GLY 80 29.515 -1.444 6.309 202 H ARG 81 H ARG 81 28.132 0.551 2.668 203 HA ARG 81 HA ARG 81 25.635 0.449 3.991 204 HE ARG 81 HE ARG 81 29.319 2.586 6.447 205 1HH1 ARG 81 1HH1 ARG 81 28.191 5.740 7.398 206 1HH2 ARG 81 1HH2 ARG 81 30.758 2.743 8.208 207 H HIS 82 H HIS 82 24.254 2.461 3.000 208 HA HIS 82 HA HIS 82 24.583 2.126 0.117 209 HD1 HIS 82 HD1 HIS 82 22.276 1.913 3.593 210 HD2 HIS 82 HD2 HIS 82 21.308 5.260 1.327 211 HE1 HIS 82 HE1 HIS 82 21.108 3.481 5.174 212 HE2 HIS 82 HE2 HIS 82 20.530 5.500 3.782 213 H ASN 83 H ASN 83 23.911 4.066 -1.242 214 HA ASN 83 HA ASN 83 25.327 6.425 -0.187 215 H GLY 84 H GLY 84 22.861 5.970 -2.722 216 H TYR 85 H TYR 85 19.937 9.110 -3.386 217 HA TYR 85 HA TYR 85 21.737 11.354 -2.780 218 HD1 TYR 85 HD1 TYR 85 20.070 8.962 -5.684 219 HD2 TYR 85 HD2 TYR 85 23.188 11.854 -5.605 220 HE1 TYR 85 HE1 TYR 85 21.434 7.522 -7.139 221 HE2 TYR 85 HE2 TYR 85 24.561 10.423 -7.060 222 HH TYR 85 HH TYR 85 24.435 7.549 -7.463 223 H GLU 86 H GLU 86 18.518 10.119 -2.530 224 HA GLU 86 HA GLU 86 17.516 12.654 -1.474 225 H ASP 87 H ASP 87 15.613 11.955 0.245 226 HA ASP 87 HA ASP 87 17.102 10.692 2.435 227 H PHE 88 H PHE 88 14.333 10.363 0.422 228 HA PHE 88 HA PHE 88 13.624 7.898 1.843 229 HD1 PHE 88 HD1 PHE 88 12.794 10.694 3.585 230 HD2 PHE 88 HD2 PHE 88 10.412 7.291 2.677 231 HE1 PHE 88 HE1 PHE 88 12.295 10.413 5.974 232 HE2 PHE 88 HE2 PHE 88 9.907 7.001 5.061 233 HZ PHE 88 HZ PHE 88 10.847 8.563 6.720 234 H TYR 89 H TYR 89 11.964 6.631 0.400 235 HA TYR 89 HA TYR 89 12.547 6.943 -2.439 236 HD1 TYR 89 HD1 TYR 89 14.594 5.774 0.601 237 HD2 TYR 89 HD2 TYR 89 15.272 5.434 -3.586 238 HE1 TYR 89 HE1 TYR 89 16.912 6.516 0.923 239 HE2 TYR 89 HE2 TYR 89 17.595 6.176 -3.273 240 HH TYR 89 HH TYR 89 18.694 7.648 -0.509 241 H THR 90 H THR 90 11.255 5.397 -3.778 242 HA THR 90 HA THR 90 8.750 4.651 -2.426 243 HB THR 90 HB THR 90 7.622 5.375 -4.623 244 HG1 THR 90 HG1 THR 90 9.795 5.696 -5.613 245 H ASP 91 H ASP 91 7.415 3.135 -3.682 246 HA ASP 91 HA ASP 91 8.728 0.807 -4.304 247 H GLY 92 H GLY 92 10.411 0.967 -5.647 248 H SER 93 H SER 93 12.141 1.771 -5.819 249 HA SER 93 HA SER 93 13.878 3.476 -7.476 250 HG SER 93 HG SER 93 12.278 5.310 -5.652 251 H VAL 94 H VAL 94 16.211 3.397 -6.927 252 HA VAL 94 HA VAL 94 17.048 0.802 -5.845 253 HB VAL 94 HB VAL 94 18.013 1.981 -8.455 254 H VAL 95 H VAL 95 19.286 0.723 -5.198 255 HA VAL 95 HA VAL 95 20.720 3.243 -4.944 256 HB VAL 95 HB VAL 95 20.066 1.626 -2.486 257 H THR 96 H THR 96 22.928 2.965 -4.536 258 HA THR 96 HA THR 96 23.847 0.195 -4.873 259 HB THR 96 HB THR 96 25.958 1.992 -5.453 260 HG1 THR 96 HG1 THR 96 25.074 3.367 -6.915 261 H TYR 97 H TYR 97 24.780 -0.708 -3.233 262 HA TYR 97 HA TYR 97 25.477 0.772 -0.900 263 HD1 TYR 97 HD1 TYR 97 23.073 -0.395 -1.518 264 HD2 TYR 97 HD2 TYR 97 25.246 -2.274 1.622 265 HE1 TYR 97 HE1 TYR 97 21.068 -0.351 -0.110 266 HE2 TYR 97 HE2 TYR 97 23.236 -2.238 3.034 267 HH TYR 97 HH TYR 97 20.975 -0.509 2.930 268 H SER 98 H SER 98 27.528 0.669 0.197 269 HA SER 98 HA SER 98 29.872 0.004 -1.372 270 HG SER 98 HG SER 98 29.041 2.902 0.447 271 H CYS 99 H CYS 99 31.620 -0.472 -0.151 272 HA CYS 99 HA CYS 99 31.283 -0.849 2.632 273 H ASN 100 H ASN 100 32.821 -0.064 4.287 274 HA ASN 100 HA ASN 100 33.156 2.818 4.021 275 H SER 101 H SER 101 35.082 0.323 5.688 276 HA SER 101 HA SER 101 37.480 1.814 5.486 277 HG SER 101 HG SER 101 39.040 -0.431 7.491 278 H GLY 102 H GLY 102 36.057 -0.732 3.525 279 H TYR 103 H TYR 103 35.331 -2.241 2.525 280 HA TYR 103 HA TYR 103 36.481 -4.861 2.190 281 HD1 TYR 103 HD1 TYR 103 35.632 -3.026 4.948 282 HD2 TYR 103 HD2 TYR 103 34.671 -7.079 4.103 283 HE1 TYR 103 HE1 TYR 103 36.553 -3.693 7.128 284 HE2 TYR 103 HE2 TYR 103 35.591 -7.763 6.274 285 HH TYR 103 HH TYR 103 37.553 -6.424 7.945 286 H SER 104 H SER 104 34.426 -6.355 1.111 287 HA SER 104 HA SER 104 34.258 -5.294 -1.632 288 HG SER 104 HG SER 104 35.904 -7.292 -2.953 289 H LEU 105 H LEU 105 32.239 -4.539 -1.882 290 HA LEU 105 HA LEU 105 29.927 -5.247 -0.609 291 HG LEU 105 HG LEU 105 28.556 -2.519 -2.526 292 H ILE 106 H ILE 106 28.811 -7.033 -0.512 293 HA ILE 106 HA ILE 106 29.245 -9.122 -2.510 294 HB ILE 106 HB ILE 106 28.038 -9.274 0.249 295 H GLY 107 H GLY 107 27.411 -10.462 -3.157 296 H ASN 108 H ASN 108 26.896 -8.330 -4.803 297 HA ASN 108 HA ASN 108 26.785 -6.407 -5.991 298 H SER 109 H SER 109 26.686 -4.393 -5.355 299 HA SER 109 HA SER 109 25.508 -3.588 -2.987 300 HG SER 109 HG SER 109 26.045 -0.357 -4.948 301 H GLY 110 H GLY 110 24.227 -3.565 -6.225 302 H VAL 111 H VAL 111 20.379 -1.404 -5.048 303 HA VAL 111 HA VAL 111 19.105 -3.735 -3.795 304 HB VAL 111 HB VAL 111 19.013 -1.092 -2.421 305 H LEU 112 H LEU 112 16.850 -3.715 -3.817 306 HA LEU 112 HA LEU 112 15.713 -1.674 -5.593 307 HG LEU 112 HG LEU 112 12.783 -3.258 -5.206 308 H CYS 113 H CYS 113 14.341 -0.224 -4.861 309 HA CYS 113 HA CYS 113 13.255 -0.452 -2.171 310 H SER 114 H SER 114 11.639 -1.957 -2.298 311 HA SER 114 HA SER 114 9.302 -1.219 -3.898 312 HG SER 114 HG SER 114 11.242 -3.984 -3.044 313 H GLY 115 H GLY 115 7.326 -2.388 -3.209 314 H GLY 116 H GLY 116 7.844 -0.567 -1.033 315 H GLU 117 H GLU 117 9.526 -1.969 0.450 316 HA GLU 117 HA GLU 117 11.421 -1.296 2.588 317 H TRP 118 H TRP 118 13.441 -2.867 2.234 318 HA TRP 118 HA TRP 118 14.203 -2.511 -0.579 319 HD1 TRP 118 HD1 TRP 118 14.826 -0.431 2.963 320 HE1 TRP 118 HE1 TRP 118 14.907 2.045 2.258 321 HE3 TRP 118 HE3 TRP 118 16.606 -1.011 -1.794 322 HZ2 TRP 118 HZ2 TRP 118 15.633 3.534 -0.019 323 HZ3 TRP 118 HZ3 TRP 118 16.968 0.996 -3.171 324 HH2 TRP 118 HH2 TRP 118 16.493 3.227 -2.298 325 H SER 119 H SER 119 14.562 -4.239 -1.787 326 HA SER 119 HA SER 119 14.846 -6.833 -0.433 327 HG SER 119 HG SER 119 12.648 -5.959 -3.650 328 H ASP 120 H ASP 120 16.388 -8.281 -1.079 329 HA ASP 120 HA ASP 120 18.353 -9.043 -1.908 330 HA PRO 121 HA PRO 121 20.491 -5.059 -0.377 331 HA PRO 122 HA PRO 122 24.046 -7.695 -0.608 332 H THR 123 H THR 123 26.384 -7.685 0.170 333 HA THR 123 HA THR 123 26.563 -7.059 3.041 334 HB THR 123 HB THR 123 28.172 -9.343 2.273 335 HG1 THR 123 HG1 THR 123 26.336 -10.771 2.072 336 H CYS 124 H CYS 124 29.211 -7.981 3.269 337 HA CYS 124 HA CYS 124 30.810 -6.695 1.309 338 H GLN 125 H GLN 125 32.051 -8.430 1.423 339 HA GLN 125 HA GLN 125 33.324 -9.130 3.965 340 H ILE 126 H ILE 126 35.417 -10.479 3.151 341 HA ILE 126 HA ILE 126 37.155 -8.433 1.931 342 HB ILE 126 HB ILE 126 37.782 -10.492 4.043 No H/Q in entry = 342 Start of MODEL 42 1 H ARG 7 H ARG 7 -33.652 4.636 2.294 2 HA ARG 7 HA ARG 7 -32.723 4.715 5.080 3 HE ARG 7 HE ARG 7 -37.079 1.808 5.107 4 1HH1 ARG 7 1HH1 ARG 7 -35.596 2.391 8.203 5 1HH2 ARG 7 1HH2 ARG 7 -39.011 2.541 6.073 6 H ARG 8 H ARG 8 -30.629 3.973 5.444 7 HA ARG 8 HA ARG 8 -28.974 3.848 3.029 8 HE ARG 8 HE ARG 8 -28.919 8.006 6.426 9 1HH1 ARG 8 1HH1 ARG 8 -26.260 7.002 8.438 10 1HH2 ARG 8 1HH2 ARG 8 -28.906 9.934 7.645 11 H CYS 9 H CYS 9 -26.862 2.513 3.483 12 HA CYS 9 HA CYS 9 -27.764 -0.207 3.967 13 HA PRO 10 HA PRO 10 -25.859 -0.754 7.887 14 H SER 11 H SER 11 -23.725 -1.409 8.984 15 HA SER 11 HA SER 11 -21.728 0.335 8.265 16 HG SER 11 HG SER 11 -19.433 -1.321 9.163 17 HA PRO 12 HA PRO 12 -20.277 -1.712 4.495 18 H ARG 13 H ARG 13 -18.506 -3.035 3.978 19 HA ARG 13 HA ARG 13 -17.225 -4.275 6.192 20 HE ARG 13 HE ARG 13 -18.074 -8.636 5.298 21 1HH1 ARG 13 1HH1 ARG 13 -16.023 -9.201 2.543 22 1HH2 ARG 13 1HH2 ARG 13 -18.412 -10.892 5.310 23 H ASP 14 H ASP 14 -14.907 -4.480 6.478 24 HA ASP 14 HA ASP 14 -13.620 -1.922 5.956 25 H ILE 15 H ILE 15 -11.097 -2.248 6.344 26 HA ILE 15 HA ILE 15 -10.107 -4.542 4.823 27 HB ILE 15 HB ILE 15 -10.487 -2.777 3.157 28 H ASP 16 H ASP 16 -7.981 -5.103 5.289 29 HA ASP 16 HA ASP 16 -7.025 -4.148 7.822 30 H ASN 17 H ASN 17 -5.318 -4.541 4.707 31 HA ASN 17 HA ASN 17 -3.444 -2.470 5.544 32 H GLY 18 H GLY 18 -6.090 -1.635 4.933 33 H GLN 19 H GLN 19 -7.439 1.803 2.525 34 HA GLN 19 HA GLN 19 -8.786 2.281 5.086 35 H LEU 20 H LEU 20 -10.902 2.512 4.786 36 HA LEU 20 HA LEU 20 -12.023 2.676 2.176 37 HG LEU 20 HG LEU 20 -13.767 0.930 2.507 38 H ASP 21 H ASP 21 -13.588 4.243 1.473 39 HA ASP 21 HA ASP 21 -13.279 6.921 2.643 40 H ILE 22 H ILE 22 -15.306 6.181 3.660 41 HA ILE 22 HA ILE 22 -17.620 5.643 2.117 42 HB ILE 22 HB ILE 22 -17.450 6.611 4.970 43 H GLY 23 H GLY 23 -17.967 7.236 0.599 44 H GLY 24 H GLY 24 -20.218 7.579 1.985 45 H VAL 25 H VAL 25 -23.997 7.187 3.040 46 HA VAL 25 HA VAL 25 -23.484 4.372 2.334 47 HB VAL 25 HB VAL 25 -24.376 3.837 4.633 48 H ASP 26 H ASP 26 -25.615 6.648 1.613 49 HA ASP 26 HA ASP 26 -28.089 5.414 2.342 50 H PHE 27 H PHE 27 -29.674 4.706 0.714 51 HA PHE 27 HA PHE 27 -28.705 2.514 -0.742 52 HD1 PHE 27 HD1 PHE 27 -29.381 1.057 -2.061 53 HD2 PHE 27 HD2 PHE 27 -33.112 3.099 -2.239 54 HE1 PHE 27 HE1 PHE 27 -30.086 -0.396 -3.921 55 HE2 PHE 27 HE2 PHE 27 -33.822 1.650 -4.095 56 HZ PHE 27 HZ PHE 27 -32.309 -0.099 -4.937 57 H GLY 28 H GLY 28 -27.118 3.071 -2.170 58 H SER 29 H SER 29 -25.897 4.689 -1.861 59 HA SER 29 HA SER 29 -24.022 6.506 -3.007 60 HG SER 29 HG SER 29 -25.409 7.275 -0.798 61 H SER 30 H SER 30 -21.589 6.096 -2.464 62 HA SER 30 HA SER 30 -20.821 3.329 -2.983 63 HG SER 30 HG SER 30 -19.763 6.485 -4.906 64 H ILE 31 H ILE 31 -18.766 2.791 -2.295 65 HA ILE 31 HA ILE 31 -17.444 4.838 -0.643 66 HB ILE 31 HB ILE 31 -16.545 2.082 -0.233 67 H THR 32 H THR 32 -15.042 4.600 -0.452 68 HA THR 32 HA THR 32 -13.854 3.651 -2.973 69 HB THR 32 HB THR 32 -12.521 5.944 -1.685 70 HG1 THR 32 HG1 THR 32 -14.070 7.390 -2.685 71 H TYR 33 H TYR 33 -12.560 2.015 -2.532 72 HA TYR 33 HA TYR 33 -11.293 1.801 0.080 73 HD1 TYR 33 HD1 TYR 33 -14.142 0.282 -1.247 74 HD2 TYR 33 HD2 TYR 33 -10.945 -1.407 0.999 75 HE1 TYR 33 HE1 TYR 33 -15.761 -0.666 0.342 76 HE2 TYR 33 HE2 TYR 33 -12.560 -2.366 2.589 77 HH TYR 33 HH TYR 33 -14.894 -1.907 3.343 78 H SER 34 H SER 34 -9.155 1.885 0.479 79 HA SER 34 HA SER 34 -7.289 2.155 -1.763 80 HG SER 34 HG SER 34 -7.101 5.529 -1.513 81 H CYS 35 H CYS 35 -4.947 2.255 -0.814 82 HA CYS 35 HA CYS 35 -4.740 0.018 1.043 83 H ASN 36 H ASN 36 -2.816 0.119 2.596 84 HA ASN 36 HA ASN 36 -3.326 2.137 4.480 85 H SER 37 H SER 37 -0.009 1.611 3.407 86 HA SER 37 HA SER 37 0.265 4.246 2.299 87 HG SER 37 HG SER 37 0.840 6.009 5.134 88 H GLY 38 H GLY 38 1.529 3.893 0.609 89 H TYR 39 H TYR 39 1.030 1.345 0.658 90 HA TYR 39 HA TYR 39 1.849 -1.116 -0.601 91 HD1 TYR 39 HD1 TYR 39 2.116 -0.513 2.082 92 HD2 TYR 39 HD2 TYR 39 -0.907 -3.392 1.278 93 HE1 TYR 39 HE1 TYR 39 3.020 -1.948 3.861 94 HE2 TYR 39 HE2 TYR 39 -0.009 -4.841 3.049 95 HH TYR 39 HH TYR 39 1.622 -4.087 5.389 96 H HIS 40 H HIS 40 0.018 -2.151 -2.024 97 HA HIS 40 HA HIS 40 -1.027 -0.165 -3.898 98 HD1 HIS 40 HD1 HIS 40 2.621 -1.832 -6.024 99 HD2 HIS 40 HD2 HIS 40 0.772 -3.739 -2.831 100 HE1 HIS 40 HE1 HIS 40 4.364 -3.358 -5.049 101 HE2 HIS 40 HE2 HIS 40 3.223 -4.502 -3.117 102 H LEU 41 H LEU 41 -3.087 -0.428 -4.377 103 HA LEU 41 HA LEU 41 -4.462 -2.744 -3.246 104 HG LEU 41 HG LEU 41 -6.949 -2.489 -3.139 105 H ILE 42 H ILE 42 -4.724 -4.424 -4.549 106 HA ILE 42 HA ILE 42 -4.744 -4.060 -7.423 107 HB ILE 42 HB ILE 42 -5.264 -6.743 -6.264 108 H GLY 43 H GLY 43 -6.387 -4.716 -8.807 109 H GLU 44 H GLU 44 -10.901 -4.377 -7.853 110 HA GLU 44 HA GLU 44 -10.910 -1.627 -8.687 111 H SER 45 H SER 45 -12.048 -0.061 -7.074 112 HA SER 45 HA SER 45 -11.045 -0.339 -4.352 113 HG SER 45 HG SER 45 -11.040 2.112 -6.912 114 H LYS 46 H LYS 46 -13.692 -0.239 -5.686 115 HA LYS 46 HA LYS 46 -14.799 1.854 -3.989 116 H SER 47 H SER 47 -16.732 1.424 -3.137 117 HA SER 47 HA SER 47 -18.055 -1.094 -3.914 118 HG SER 47 HG SER 47 -16.216 -0.019 -1.541 119 H TYR 48 H TYR 48 -20.433 -1.118 -3.747 120 HA TYR 48 HA TYR 48 -21.562 1.603 -3.952 121 HD1 TYR 48 HD1 TYR 48 -20.040 2.223 -5.931 122 HD2 TYR 48 HD2 TYR 48 -21.233 -1.632 -7.255 123 HE1 TYR 48 HE1 TYR 48 -17.988 2.060 -7.286 124 HE2 TYR 48 HE2 TYR 48 -19.192 -1.821 -8.604 125 HH TYR 48 HH TYR 48 -17.276 0.752 -9.401 126 H CYS 49 H CYS 49 -23.125 1.924 -2.622 127 HA CYS 49 HA CYS 49 -24.392 -0.181 -1.176 128 H GLU 50 H GLU 50 -25.270 -1.465 -2.785 129 HA GLU 50 HA GLU 50 -27.596 -0.318 -4.175 130 H LEU 51 H LEU 51 -29.254 -2.112 -4.684 131 HA LEU 51 HA LEU 51 -30.137 -3.111 -2.105 132 HG LEU 51 HG LEU 51 -30.948 -4.036 -5.473 133 H GLY 52 H GLY 52 -30.904 -5.285 -1.792 134 H SER 53 H SER 53 -31.262 -9.302 -2.376 135 HA SER 53 HA SER 53 -32.442 -9.354 -5.034 136 HG SER 53 HG SER 53 -30.469 -10.953 -4.512 137 H THR 54 H THR 54 -33.434 -9.258 -1.651 138 HA THR 54 HA THR 54 -36.246 -9.180 -2.450 139 HB THR 54 HB THR 54 -36.501 -9.128 0.155 140 HG1 THR 54 HG1 THR 54 -34.766 -9.546 1.277 141 H GLY 55 H GLY 55 -34.844 -6.956 -3.251 142 H SER 56 H SER 56 -33.545 -6.246 -0.948 143 HA SER 56 HA SER 56 -33.668 -4.466 1.312 144 HG SER 56 HG SER 56 -32.507 -5.986 3.291 145 H MET 57 H MET 57 -30.956 -4.332 2.020 146 HA MET 57 HA MET 57 -29.801 -2.652 -0.097 147 H VAL 58 H VAL 58 -27.896 -3.374 -0.688 148 HA VAL 58 HA VAL 58 -26.176 -4.680 1.307 149 HB VAL 58 HB VAL 58 -25.294 -5.993 -0.759 150 H TRP 59 H TRP 59 -23.858 -4.892 0.270 151 HA TRP 59 HA TRP 59 -23.202 -2.254 -0.864 152 HD1 TRP 59 HD1 TRP 59 -23.199 -2.924 3.237 153 HE1 TRP 59 HE1 TRP 59 -23.578 -0.547 4.154 154 HE3 TRP 59 HE3 TRP 59 -21.197 -0.246 -0.623 155 HZ2 TRP 59 HZ2 TRP 59 -23.082 2.120 3.337 156 HZ3 TRP 59 HZ3 TRP 59 -21.179 2.209 -0.477 157 HH2 TRP 59 HH2 TRP 59 -22.103 3.360 1.452 158 H ASN 60 H ASN 60 -22.371 -2.281 -2.829 159 HA ASN 60 HA ASN 60 -21.559 -4.690 -4.121 160 HA PRO 61 HA PRO 61 -17.285 -5.620 -3.915 161 H GLU 62 H GLU 62 -16.955 -4.872 -1.838 162 HA GLU 62 HA GLU 62 -16.121 -2.112 -1.496 163 H ALA 63 H ALA 63 -14.866 -4.932 0.281 164 HA ALA 63 HA ALA 63 -12.281 -3.758 0.354 165 HA PRO 64 HA PRO 64 -10.910 -5.883 -3.414 166 H ILE 65 H ILE 65 -8.118 -5.603 -4.002 167 HA ILE 65 HA ILE 65 -7.014 -7.210 -1.825 168 HB ILE 65 HB ILE 65 -5.538 -6.768 -4.362 169 H CYS 66 H CYS 66 -4.760 -6.875 -1.228 170 HA CYS 66 HA CYS 66 -3.607 -4.272 -1.731 171 H GLU 67 H GLU 67 -1.440 -4.255 -1.490 172 HA GLU 67 HA GLU 67 -0.126 -6.409 -0.032 173 H SER 68 H SER 68 2.296 -6.014 0.030 174 HA SER 68 HA SER 68 2.730 -3.121 0.257 175 HG SER 68 HG SER 68 4.651 -6.124 1.701 176 H VAL 69 H VAL 69 3.946 -2.216 -1.201 177 HA VAL 69 HA VAL 69 5.294 -3.364 -3.265 178 HB VAL 69 HB VAL 69 6.704 -1.262 -3.314 179 H LYS 70 H LYS 70 6.576 -5.112 -2.831 180 HA LYS 70 HA LYS 70 8.585 -5.054 -0.781 181 H CYS 71 H CYS 71 10.665 -4.524 -0.930 182 HA CYS 71 HA CYS 71 11.775 -3.966 -3.600 183 H GLN 72 H GLN 72 13.258 -5.389 -4.218 184 HA GLN 72 HA GLN 72 14.366 -7.288 -2.409 185 H SER 73 H SER 73 16.968 -7.573 -3.326 186 HA SER 73 HA SER 73 18.498 -6.301 -1.552 187 HG SER 73 HG SER 73 18.734 -8.920 -3.732 188 HA PRO 74 HA PRO 74 18.418 -1.975 -2.632 189 HA PRO 75 HA PRO 75 20.680 -1.262 -6.327 190 H SER 76 H SER 76 22.753 -1.277 -7.241 191 HA SER 76 HA SER 76 24.867 -2.106 -5.375 192 HG SER 76 HG SER 76 26.518 -3.661 -8.097 193 H ILE 77 H ILE 77 25.702 -0.120 -4.833 194 HA ILE 77 HA ILE 77 26.270 1.939 -6.682 195 HB ILE 77 HB ILE 77 27.519 3.008 -4.905 196 H SER 78 H SER 78 28.632 2.872 -6.667 197 HA SER 78 HA SER 78 30.301 0.800 -7.863 198 HG SER 78 HG SER 78 29.003 3.587 -9.123 199 H ASN 79 H ASN 79 32.384 0.341 -7.201 200 HA ASN 79 HA ASN 79 34.059 -0.018 -5.713 201 H GLY 80 H GLY 80 31.274 -0.578 -4.923 202 H ARG 81 H ARG 81 29.335 -1.527 -1.145 203 HA ARG 81 HA ARG 81 27.397 -2.576 -2.973 204 HE ARG 81 HE ARG 81 29.914 -6.420 0.433 205 1HH1 ARG 81 1HH1 ARG 81 31.134 -8.030 -2.404 206 1HH2 ARG 81 1HH2 ARG 81 30.416 -8.345 1.547 207 H HIS 82 H HIS 82 25.832 -4.043 -1.454 208 HA HIS 82 HA HIS 82 25.246 -2.322 0.853 209 HD1 HIS 82 HD1 HIS 82 23.833 -3.083 -3.003 210 HD2 HIS 82 HD2 HIS 82 22.573 -5.973 -0.295 211 HE1 HIS 82 HE1 HIS 82 23.204 -5.080 -4.395 212 HE2 HIS 82 HE2 HIS 82 22.443 -6.818 -2.736 213 H ASN 83 H ASN 83 24.068 -3.448 2.668 214 HA ASN 83 HA ASN 83 25.479 -5.946 3.262 215 H GLY 84 H GLY 84 22.409 -4.877 4.642 216 H TYR 85 H TYR 85 19.306 -7.696 5.477 217 HA TYR 85 HA TYR 85 21.096 -9.932 6.132 218 HD1 TYR 85 HD1 TYR 85 21.897 -7.933 7.210 219 HD2 TYR 85 HD2 TYR 85 18.227 -7.868 9.361 220 HE1 TYR 85 HE1 TYR 85 22.531 -5.780 8.214 221 HE2 TYR 85 HE2 TYR 85 18.850 -5.715 10.371 222 HH TYR 85 HH TYR 85 20.800 -3.695 9.343 223 H GLU 86 H GLU 86 17.892 -9.041 5.052 224 HA GLU 86 HA GLU 86 17.241 -11.826 4.473 225 H ASP 87 H ASP 87 15.635 -11.695 2.334 226 HA ASP 87 HA ASP 87 17.481 -10.923 0.199 227 H PHE 88 H PHE 88 14.435 -10.123 1.564 228 HA PHE 88 HA PHE 88 13.993 -8.201 -0.614 229 HD1 PHE 88 HD1 PHE 88 13.248 -11.553 -1.227 230 HD2 PHE 88 HD2 PHE 88 11.015 -8.041 -2.099 231 HE1 PHE 88 HE1 PHE 88 13.069 -12.255 -3.576 232 HE2 PHE 88 HE2 PHE 88 10.832 -8.733 -4.446 233 HZ PHE 88 HZ PHE 88 11.859 -10.845 -5.193 234 H TYR 89 H TYR 89 12.279 -6.523 0.125 235 HA TYR 89 HA TYR 89 12.324 -5.912 2.955 236 HD1 TYR 89 HD1 TYR 89 15.278 -5.748 0.247 237 HD2 TYR 89 HD2 TYR 89 14.853 -4.642 4.333 238 HE1 TYR 89 HE1 TYR 89 17.456 -6.770 0.746 239 HE2 TYR 89 HE2 TYR 89 17.031 -5.663 4.841 240 HH TYR 89 HH TYR 89 18.460 -7.774 3.353 241 H THR 90 H THR 90 11.085 -3.831 3.390 242 HA THR 90 HA THR 90 9.270 -3.028 1.272 243 HB THR 90 HB THR 90 7.280 -3.499 2.792 244 HG1 THR 90 HG1 THR 90 7.718 -4.330 4.650 245 H ASP 91 H ASP 91 7.441 -1.595 2.479 246 HA ASP 91 HA ASP 91 8.623 0.775 3.171 247 H GLY 92 H GLY 92 10.211 0.668 4.637 248 H SER 93 H SER 93 11.819 -0.376 4.960 249 HA SER 93 HA SER 93 13.427 -1.841 6.946 250 HG SER 93 HG SER 93 11.438 -3.057 5.394 251 H VAL 94 H VAL 94 15.726 -1.765 6.763 252 HA VAL 94 HA VAL 94 16.797 0.405 5.109 253 HB VAL 94 HB VAL 94 17.289 0.132 8.079 254 H VAL 95 H VAL 95 19.080 0.321 4.809 255 HA VAL 95 HA VAL 95 20.449 -2.127 5.603 256 HB VAL 95 HB VAL 95 20.391 -1.333 2.701 257 H THR 96 H THR 96 22.679 -1.938 5.615 258 HA THR 96 HA THR 96 23.668 0.796 5.236 259 HB THR 96 HB THR 96 25.641 -0.538 6.609 260 HG1 THR 96 HG1 THR 96 24.741 -1.900 8.010 261 H TYR 97 H TYR 97 25.008 1.223 3.661 262 HA TYR 97 HA TYR 97 25.918 -0.911 1.952 263 HD1 TYR 97 HD1 TYR 97 23.433 0.446 1.819 264 HD2 TYR 97 HD2 TYR 97 26.128 1.045 -1.416 265 HE1 TYR 97 HE1 TYR 97 21.643 -0.104 0.239 266 HE2 TYR 97 HE2 TYR 97 24.339 0.497 -3.010 267 HH TYR 97 HH TYR 97 22.077 0.242 -3.229 268 H SER 98 H SER 98 28.152 -1.001 1.130 269 HA SER 98 HA SER 98 30.206 0.100 2.857 270 HG SER 98 HG SER 98 29.846 -3.170 1.645 271 H CYS 99 H CYS 99 32.157 0.287 1.890 272 HA CYS 99 HA CYS 99 32.326 -0.026 -0.908 273 H ASN 100 H ASN 100 34.139 -1.168 -2.016 274 HA ASN 100 HA ASN 100 34.218 -3.930 -1.111 275 H SER 101 H SER 101 36.668 -1.836 -2.634 276 HA SER 101 HA SER 101 38.813 -3.300 -1.443 277 HG SER 101 HG SER 101 41.154 -1.434 -2.825 278 H GLY 102 H GLY 102 37.239 -0.211 -0.782 279 H TYR 103 H TYR 103 36.316 1.461 -0.411 280 HA TYR 103 HA TYR 103 37.454 4.086 -0.559 281 HD1 TYR 103 HD1 TYR 103 36.905 1.595 -2.976 282 HD2 TYR 103 HD2 TYR 103 36.149 5.775 -3.134 283 HE1 TYR 103 HE1 TYR 103 38.179 1.740 -5.074 284 HE2 TYR 103 HE2 TYR 103 37.423 5.938 -5.228 285 HH TYR 103 HH TYR 103 38.297 4.699 -6.951 286 H SER 104 H SER 104 35.285 5.786 -0.302 287 HA SER 104 HA SER 104 34.631 5.518 2.553 288 HG SER 104 HG SER 104 34.083 9.129 1.548 289 H LEU 105 H LEU 105 32.603 4.806 2.692 290 HA LEU 105 HA LEU 105 30.551 5.041 0.877 291 HG LEU 105 HG LEU 105 28.875 2.822 3.174 292 H ILE 106 H ILE 106 29.535 6.721 0.125 293 HA ILE 106 HA ILE 106 29.610 9.260 1.565 294 HB ILE 106 HB ILE 106 28.864 8.631 -1.288 295 H GLY 107 H GLY 107 27.651 10.658 1.439 296 H ASN 108 H ASN 108 26.917 8.967 3.488 297 HA ASN 108 HA ASN 108 26.613 7.448 5.142 298 H SER 109 H SER 109 26.502 5.340 5.189 299 HA SER 109 HA SER 109 25.855 3.815 2.981 300 HG SER 109 HG SER 109 25.188 3.065 6.368 301 H GLY 110 H GLY 110 23.842 4.841 5.598 302 H VAL 111 H VAL 111 20.223 2.347 4.329 303 HA VAL 111 HA VAL 111 19.277 4.209 2.264 304 HB VAL 111 HB VAL 111 19.464 1.285 1.695 305 H LEU 112 H LEU 112 17.156 4.553 2.567 306 HA LEU 112 HA LEU 112 15.651 2.768 4.277 307 HG LEU 112 HG LEU 112 12.968 5.387 4.484 308 H CYS 113 H CYS 113 14.077 1.370 3.700 309 HA CYS 113 HA CYS 113 13.556 1.073 0.822 310 H SER 114 H SER 114 11.740 2.200 0.330 311 HA SER 114 HA SER 114 9.256 1.374 1.488 312 HG SER 114 HG SER 114 7.696 3.747 1.861 313 H GLY 115 H GLY 115 7.616 1.582 0.095 314 H GLY 116 H GLY 116 8.441 0.216 -1.621 315 H GLU 117 H GLU 117 10.509 1.340 -2.598 316 HA GLU 117 HA GLU 117 12.692 0.773 -4.449 317 H TRP 118 H TRP 118 14.552 2.432 -3.858 318 HA TRP 118 HA TRP 118 14.822 2.407 -0.927 319 HD1 TRP 118 HD1 TRP 118 15.802 -0.446 -3.729 320 HE1 TRP 118 HE1 TRP 118 15.685 -2.691 -2.473 321 HE3 TRP 118 HE3 TRP 118 17.027 1.184 0.955 322 HZ2 TRP 118 HZ2 TRP 118 16.064 -3.636 0.150 323 HZ3 TRP 118 HZ3 TRP 118 17.131 -0.457 2.786 324 HH2 TRP 118 HH2 TRP 118 16.656 -2.821 2.389 325 H SER 119 H SER 119 15.123 4.375 -0.009 326 HA SER 119 HA SER 119 15.781 6.608 -1.754 327 HG SER 119 HG SER 119 13.391 6.510 0.930 328 H ASP 120 H ASP 120 17.636 7.220 -2.065 329 HA ASP 120 HA ASP 120 19.876 7.949 -1.521 330 HA PRO 121 HA PRO 121 21.225 4.314 -1.087 331 HA PRO 122 HA PRO 122 24.693 7.087 -0.942 332 H THR 123 H THR 123 27.145 7.173 -1.228 333 HA THR 123 HA THR 123 27.902 5.775 -3.713 334 HB THR 123 HB THR 123 29.401 8.221 -3.185 335 HG1 THR 123 HG1 THR 123 27.295 8.838 -2.390 336 H CYS 124 H CYS 124 30.564 6.565 -3.680 337 HA CYS 124 HA CYS 124 31.757 5.867 -1.194 338 H GLN 125 H GLN 125 33.025 7.616 -1.680 339 HA GLN 125 HA GLN 125 34.905 7.288 -3.916 340 H ILE 126 H ILE 126 36.939 8.644 -3.510 341 HA ILE 126 HA ILE 126 38.109 7.665 -1.052 342 HB ILE 126 HB ILE 126 39.328 9.122 -3.393 No H/Q in entry = 342 Start of MODEL 43 1 H ARG 7 H ARG 7 34.030 -3.922 0.994 2 HA ARG 7 HA ARG 7 33.026 -5.659 3.147 3 HE ARG 7 HE ARG 7 34.312 -1.080 5.052 4 1HH1 ARG 7 1HH1 ARG 7 36.387 -0.415 2.337 5 1HH2 ARG 7 1HH2 ARG 7 34.343 1.170 5.425 6 H ARG 8 H ARG 8 30.710 -4.641 3.798 7 HA ARG 8 HA ARG 8 29.132 -4.897 1.377 8 HE ARG 8 HE ARG 8 27.882 -5.651 6.666 9 1HH1 ARG 8 1HH1 ARG 8 30.180 -7.941 5.401 10 1HH2 ARG 8 1HH2 ARG 8 29.408 -5.276 8.321 11 H CYS 9 H CYS 9 26.913 -3.470 1.782 12 HA CYS 9 HA CYS 9 27.825 -0.771 1.281 13 HA PRO 10 HA PRO 10 26.753 1.016 5.157 14 H SER 11 H SER 11 24.953 2.103 6.392 15 HA SER 11 HA SER 11 22.662 0.580 6.405 16 HG SER 11 HG SER 11 21.232 3.159 8.570 17 HA PRO 12 HA PRO 12 20.832 1.964 2.483 18 H ARG 13 H ARG 13 19.296 3.521 1.946 19 HA ARG 13 HA ARG 13 18.576 5.347 4.014 20 HE ARG 13 HE ARG 13 18.018 9.612 3.211 21 1HH1 ARG 13 1HH1 ARG 13 14.684 8.620 3.051 22 1HH2 ARG 13 1HH2 ARG 13 17.211 11.680 3.745 23 H ASP 14 H ASP 14 16.634 5.787 4.878 24 HA ASP 14 HA ASP 14 14.753 3.608 4.824 25 H ILE 15 H ILE 15 12.412 4.540 5.448 26 HA ILE 15 HA ILE 15 11.667 6.594 3.491 27 HB ILE 15 HB ILE 15 11.273 4.482 2.373 28 H ASP 16 H ASP 16 9.717 7.694 3.957 29 HA ASP 16 HA ASP 16 9.251 7.983 6.759 30 H ASN 17 H ASN 17 6.845 7.496 4.173 31 HA ASN 17 HA ASN 17 5.075 6.259 6.116 32 H GLY 18 H GLY 18 7.285 4.704 5.701 33 H GLN 19 H GLN 19 7.901 0.494 4.612 34 HA GLN 19 HA GLN 19 10.045 0.969 6.498 35 H LEU 20 H LEU 20 11.918 -0.017 5.970 36 HA LEU 20 HA LEU 20 12.037 -1.396 3.460 37 HG LEU 20 HG LEU 20 13.999 -0.080 2.468 38 H ASP 21 H ASP 21 13.117 -3.424 3.122 39 HA ASP 21 HA ASP 21 13.018 -5.276 5.405 40 H ILE 22 H ILE 22 15.314 -4.739 5.449 41 HA ILE 22 HA ILE 22 17.023 -5.298 3.262 42 HB ILE 22 HB ILE 22 17.757 -5.158 6.181 43 H GLY 23 H GLY 23 17.373 -7.228 2.436 44 H GLY 24 H GLY 24 19.617 -7.418 3.339 45 H VAL 25 H VAL 25 23.603 -7.227 3.321 46 HA VAL 25 HA VAL 25 23.034 -4.843 1.684 47 HB VAL 25 HB VAL 25 24.504 -3.590 3.261 48 H ASP 26 H ASP 26 24.718 -7.495 1.351 49 HA ASP 26 HA ASP 26 27.392 -6.601 0.994 50 H PHE 27 H PHE 27 28.527 -6.434 -1.053 51 HA PHE 27 HA PHE 27 27.370 -4.625 -2.822 52 HD1 PHE 27 HD1 PHE 27 27.733 -3.676 -4.580 53 HD2 PHE 27 HD2 PHE 27 31.146 -6.161 -5.126 54 HE1 PHE 27 HE1 PHE 27 28.010 -2.788 -6.865 55 HE2 PHE 27 HE2 PHE 27 31.429 -5.280 -7.406 56 HZ PHE 27 HZ PHE 27 29.861 -3.595 -8.276 57 H GLY 28 H GLY 28 25.375 -5.327 -3.541 58 H SER 29 H SER 29 24.250 -6.782 -2.490 59 HA SER 29 HA SER 29 22.136 -8.612 -2.458 60 HG SER 29 HG SER 29 24.329 -7.945 -0.794 61 H SER 30 H SER 30 19.924 -7.607 -1.362 62 HA SER 30 HA SER 30 18.981 -5.332 -2.889 63 HG SER 30 HG SER 30 18.682 -8.816 -3.008 64 H ILE 31 H ILE 31 17.299 -4.287 -1.945 65 HA ILE 31 HA ILE 31 16.339 -5.396 0.607 66 HB ILE 31 HB ILE 31 15.771 -2.560 0.126 67 H THR 32 H THR 32 14.096 -4.658 1.224 68 HA THR 32 HA THR 32 12.345 -4.473 -1.132 69 HB THR 32 HB THR 32 11.417 -6.004 1.254 70 HG1 THR 32 HG1 THR 32 12.711 -7.615 0.921 71 H TYR 33 H TYR 33 11.464 -2.508 -1.020 72 HA TYR 33 HA TYR 33 10.967 -1.242 1.529 73 HD1 TYR 33 HD1 TYR 33 13.259 -0.964 -0.846 74 HD2 TYR 33 HD2 TYR 33 11.122 2.269 0.904 75 HE1 TYR 33 HE1 TYR 33 15.387 0.179 -0.375 76 HE2 TYR 33 HE2 TYR 33 13.247 3.422 1.375 77 HH TYR 33 HH TYR 33 15.954 2.920 -0.017 78 H SER 34 H SER 34 8.959 -0.554 2.300 79 HA SER 34 HA SER 34 6.543 -1.512 1.007 80 HG SER 34 HG SER 34 5.825 -4.254 2.483 81 H CYS 35 H CYS 35 4.573 -0.802 2.225 82 HA CYS 35 HA CYS 35 4.994 1.910 3.168 83 H ASN 36 H ASN 36 3.822 2.704 5.085 84 HA ASN 36 HA ASN 36 4.522 1.304 7.390 85 H SER 37 H SER 37 1.135 2.197 6.961 86 HA SER 37 HA SER 37 0.255 -0.556 7.039 87 HG SER 37 HG SER 37 0.445 -1.266 9.847 88 H GLY 38 H GLY 38 -1.693 -0.798 6.075 89 H TYR 39 H TYR 39 -0.901 0.769 4.128 90 HA TYR 39 HA TYR 39 -1.751 3.062 2.483 91 HD1 TYR 39 HD1 TYR 39 -1.793 3.871 4.773 92 HD2 TYR 39 HD2 TYR 39 1.740 5.311 2.893 93 HE1 TYR 39 HE1 TYR 39 -2.224 6.111 5.692 94 HE2 TYR 39 HE2 TYR 39 1.319 7.554 3.803 95 HH TYR 39 HH TYR 39 -0.867 8.840 4.596 96 H HIS 40 H HIS 40 -0.326 3.239 0.440 97 HA HIS 40 HA HIS 40 0.255 0.595 -0.670 98 HD1 HIS 40 HD1 HIS 40 -1.781 2.500 -4.498 99 HD2 HIS 40 HD2 HIS 40 -1.026 4.518 -0.950 100 HE1 HIS 40 HE1 HIS 40 -2.031 4.941 -5.048 101 HE2 HIS 40 HE2 HIS 40 -1.570 6.146 -2.884 102 H LEU 41 H LEU 41 2.238 0.536 -1.429 103 HA LEU 41 HA LEU 41 3.750 2.968 -1.778 104 HG LEU 41 HG LEU 41 6.105 2.318 -2.796 105 H ILE 42 H ILE 42 4.293 3.889 -3.664 106 HA ILE 42 HA ILE 42 3.225 2.637 -6.089 107 HB ILE 42 HB ILE 42 4.228 5.443 -6.112 108 H GLY 43 H GLY 43 4.427 2.577 -8.022 109 H GLU 44 H GLU 44 9.015 1.984 -8.089 110 HA GLU 44 HA GLU 44 8.913 -0.836 -7.853 111 H SER 45 H SER 45 10.307 -1.750 -5.874 112 HA SER 45 HA SER 45 9.694 -0.583 -3.325 113 HG SER 45 HG SER 45 6.861 -1.956 -2.332 114 H LYS 46 H LYS 46 11.970 -1.569 -4.920 115 HA LYS 46 HA LYS 46 13.160 -3.231 -2.838 116 H SER 47 H SER 47 15.218 -2.700 -2.437 117 HA SER 47 HA SER 47 16.527 -0.812 -4.273 118 HG SER 47 HG SER 47 15.603 0.597 -2.722 119 H TYR 48 H TYR 48 18.726 -1.128 -4.838 120 HA TYR 48 HA TYR 48 19.706 -3.862 -4.360 121 HD1 TYR 48 HD1 TYR 48 17.926 -4.953 -5.613 122 HD2 TYR 48 HD2 TYR 48 18.596 -1.772 -8.355 123 HE1 TYR 48 HE1 TYR 48 15.640 -5.222 -6.471 124 HE2 TYR 48 HE2 TYR 48 16.310 -2.028 -9.220 125 HH TYR 48 HH TYR 48 13.996 -4.166 -7.699 126 H CYS 49 H CYS 49 21.636 -4.018 -3.483 127 HA CYS 49 HA CYS 49 23.198 -1.683 -2.924 128 H GLU 50 H GLU 50 23.737 -0.918 -4.959 129 HA GLU 50 HA GLU 50 25.576 -2.586 -6.524 130 H LEU 51 H LEU 51 27.188 -1.110 -7.782 131 HA LEU 51 HA LEU 51 28.758 0.234 -5.734 132 HG LEU 51 HG LEU 51 28.820 0.366 -9.311 133 H GLY 52 H GLY 52 29.700 2.323 -6.056 134 H SER 53 H SER 53 30.187 6.056 -7.689 135 HA SER 53 HA SER 53 30.691 5.285 -10.470 136 HG SER 53 HG SER 53 28.897 8.036 -9.977 137 H THR 54 H THR 54 32.338 6.144 -7.486 138 HA THR 54 HA THR 54 34.947 5.852 -8.764 139 HB THR 54 HB THR 54 35.874 6.884 -6.886 140 HG1 THR 54 HG1 THR 54 34.626 7.037 -4.895 141 H GLY 55 H GLY 55 33.334 3.526 -8.620 142 H SER 56 H SER 56 32.444 3.277 -6.145 143 HA SER 56 HA SER 56 33.081 2.038 -3.585 144 HG SER 56 HG SER 56 32.426 4.758 -1.955 145 H MET 57 H MET 57 30.700 2.222 -2.252 146 HA MET 57 HA MET 57 28.945 0.354 -3.700 147 H VAL 58 H VAL 58 26.877 0.934 -3.835 148 HA VAL 58 HA VAL 58 25.781 2.854 -1.917 149 HB VAL 58 HB VAL 58 24.636 3.964 -3.957 150 H TRP 59 H TRP 59 23.317 3.241 -2.737 151 HA TRP 59 HA TRP 59 22.197 0.555 -3.197 152 HD1 TRP 59 HD1 TRP 59 23.198 2.142 0.503 153 HE1 TRP 59 HE1 TRP 59 23.704 0.057 1.929 154 HE3 TRP 59 HE3 TRP 59 20.165 -1.214 -1.872 155 HZ2 TRP 59 HZ2 TRP 59 22.908 -2.657 2.026 156 HZ3 TRP 59 HZ3 TRP 59 20.092 -3.526 -1.050 157 HH2 TRP 59 HH2 TRP 59 21.430 -4.227 0.849 158 H ASN 60 H ASN 60 20.921 0.381 -4.918 159 HA ASN 60 HA ASN 60 19.293 2.648 -5.757 160 HA PRO 61 HA PRO 61 17.537 3.105 -6.715 161 H GLU 62 H GLU 62 15.718 4.174 -4.971 162 HA GLU 62 HA GLU 62 16.890 3.469 -2.386 163 H ALA 63 H ALA 63 14.216 5.634 -2.241 164 HA ALA 63 HA ALA 63 12.511 3.514 -1.215 165 HA PRO 64 HA PRO 64 10.050 5.161 -4.753 166 H ILE 65 H ILE 65 7.292 5.017 -4.470 167 HA ILE 65 HA ILE 65 6.848 7.143 -2.533 168 HB ILE 65 HB ILE 65 4.618 6.218 -4.236 169 H CYS 66 H CYS 66 4.527 7.125 -1.573 170 HA CYS 66 HA CYS 66 3.340 4.648 -0.886 171 H GLU 67 H GLU 67 1.294 5.014 -0.230 172 HA GLU 67 HA GLU 67 0.606 7.471 1.155 173 H SER 68 H SER 68 -1.974 7.458 1.354 174 HA SER 68 HA SER 68 -2.588 4.930 2.640 175 HG SER 68 HG SER 68 -4.493 8.479 2.886 176 H VAL 69 H VAL 69 -3.632 3.358 1.661 177 HA VAL 69 HA VAL 69 -4.557 3.311 -0.908 178 HB VAL 69 HB VAL 69 -6.115 1.422 -0.053 179 H LYS 70 H LYS 70 -5.841 4.916 -1.628 180 HA LYS 70 HA LYS 70 -8.173 5.774 -0.167 181 H CYS 71 H CYS 71 -10.032 4.699 -0.208 182 HA CYS 71 HA CYS 71 -10.688 3.039 -2.536 183 H GLN 72 H GLN 72 -12.084 3.735 -3.991 184 HA GLN 72 HA GLN 72 -13.396 6.248 -3.662 185 H SER 73 H SER 73 -15.804 5.393 -5.185 186 HA SER 73 HA SER 73 -17.564 5.118 -3.064 187 HG SER 73 HG SER 73 -19.718 5.930 -4.268 188 HA PRO 74 HA PRO 74 -17.335 0.862 -1.905 189 HA PRO 75 HA PRO 75 -18.348 -1.947 -5.127 190 H SER 76 H SER 76 -20.002 -2.514 -6.587 191 HA SER 76 HA SER 76 -22.458 -0.927 -6.272 192 HG SER 76 HG SER 76 -23.318 -1.440 -9.317 193 H ILE 77 H ILE 77 -23.641 -2.435 -5.090 194 HA ILE 77 HA ILE 77 -23.896 -5.157 -5.840 195 HB ILE 77 HB ILE 77 -25.673 -5.307 -4.221 196 H SER 78 H SER 78 -26.374 -5.941 -6.013 197 HA SER 78 HA SER 78 -27.381 -4.650 -8.452 198 HG SER 78 HG SER 78 -26.120 -6.408 -9.313 199 H ASN 79 H ASN 79 -29.545 -4.131 -8.681 200 HA ASN 79 HA ASN 79 -31.559 -3.325 -8.018 201 H GLY 80 H GLY 80 -29.143 -2.309 -6.696 202 H ARG 81 H ARG 81 -28.332 0.103 -3.182 203 HA ARG 81 HA ARG 81 -26.112 0.823 -4.827 204 HE ARG 81 HE ARG 81 -28.795 5.973 -4.966 205 1HH1 ARG 81 1HH1 ARG 81 -31.137 3.764 -3.637 206 1HH2 ARG 81 1HH2 ARG 81 -29.609 7.487 -3.467 207 H HIS 82 H HIS 82 -25.068 2.918 -3.654 208 HA HIS 82 HA HIS 82 -24.892 2.165 -0.817 209 HD1 HIS 82 HD1 HIS 82 -22.695 2.442 -4.531 210 HD2 HIS 82 HD2 HIS 82 -22.374 5.752 -2.039 211 HE1 HIS 82 HE1 HIS 82 -21.955 4.332 -6.016 212 HE2 HIS 82 HE2 HIS 82 -21.767 6.326 -4.487 213 H ASN 83 H ASN 83 -24.043 4.084 0.556 214 HA ASN 83 HA ASN 83 -25.733 6.413 -0.059 215 H GLY 84 H GLY 84 -23.110 6.272 2.296 216 H TYR 85 H TYR 85 -20.249 9.640 2.248 217 HA TYR 85 HA TYR 85 -22.153 11.647 1.260 218 HD1 TYR 85 HD1 TYR 85 -23.873 11.992 3.649 219 HD2 TYR 85 HD2 TYR 85 -20.181 10.289 4.903 220 HE1 TYR 85 HE1 TYR 85 -25.070 10.638 5.317 221 HE2 TYR 85 HE2 TYR 85 -21.368 8.931 6.574 222 HH TYR 85 HH TYR 85 -24.590 9.495 7.449 223 H GLU 86 H GLU 86 -18.797 10.729 1.595 224 HA GLU 86 HA GLU 86 -17.896 13.034 0.072 225 H ASP 87 H ASP 87 -15.864 12.145 -1.413 226 HA ASP 87 HA ASP 87 -17.198 10.483 -3.426 227 H PHE 88 H PHE 88 -14.498 10.600 -1.287 228 HA PHE 88 HA PHE 88 -13.622 7.984 -2.301 229 HD1 PHE 88 HD1 PHE 88 -12.534 10.816 -4.181 230 HD2 PHE 88 HD2 PHE 88 -10.524 7.317 -2.839 231 HE1 PHE 88 HE1 PHE 88 -11.793 10.364 -6.481 232 HE2 PHE 88 HE2 PHE 88 -9.780 6.858 -5.130 233 HZ PHE 88 HZ PHE 88 -10.411 8.381 -6.963 234 H TYR 89 H TYR 89 -12.036 6.998 -0.570 235 HA TYR 89 HA TYR 89 -12.828 7.582 2.158 236 HD1 TYR 89 HD1 TYR 89 -14.789 5.962 -0.841 237 HD2 TYR 89 HD2 TYR 89 -15.616 6.383 3.310 238 HE1 TYR 89 HE1 TYR 89 -17.078 6.680 -1.378 239 HE2 TYR 89 HE2 TYR 89 -17.910 7.103 2.784 240 HH TYR 89 HH TYR 89 -19.167 6.988 -0.484 241 H THR 90 H THR 90 -11.636 6.201 3.727 242 HA THR 90 HA THR 90 -9.111 5.184 2.613 243 HB THR 90 HB THR 90 -8.058 6.175 4.759 244 HG1 THR 90 HG1 THR 90 -10.420 7.729 4.566 245 H ASP 91 H ASP 91 -7.835 4.248 4.720 246 HA ASP 91 HA ASP 91 -9.243 1.902 5.393 247 H GLY 92 H GLY 92 -11.089 2.302 6.460 248 H SER 93 H SER 93 -12.888 2.983 6.336 249 HA SER 93 HA SER 93 -14.706 5.050 7.379 250 HG SER 93 HG SER 93 -12.575 5.870 5.422 251 H VAL 94 H VAL 94 -16.982 4.858 6.773 252 HA VAL 94 HA VAL 94 -17.829 2.109 6.209 253 HB VAL 94 HB VAL 94 -18.860 3.818 8.473 254 H VAL 95 H VAL 95 -19.852 1.882 5.244 255 HA VAL 95 HA VAL 95 -21.314 4.299 4.493 256 HB VAL 95 HB VAL 95 -20.425 2.307 2.414 257 H THR 96 H THR 96 -23.468 3.933 3.944 258 HA THR 96 HA THR 96 -24.447 1.248 4.627 259 HB THR 96 HB THR 96 -26.596 3.076 4.642 260 HG1 THR 96 HG1 THR 96 -24.362 4.068 6.077 261 H TYR 97 H TYR 97 -25.462 0.074 3.153 262 HA TYR 97 HA TYR 97 -25.885 1.196 0.507 263 HD1 TYR 97 HD1 TYR 97 -23.404 -0.079 1.662 264 HD2 TYR 97 HD2 TYR 97 -25.292 -1.930 -1.668 265 HE1 TYR 97 HE1 TYR 97 -21.240 -0.200 0.514 266 HE2 TYR 97 HE2 TYR 97 -23.127 -2.062 -2.825 267 HH TYR 97 HH TYR 97 -20.422 -2.050 -1.681 268 H SER 98 H SER 98 -27.865 0.905 -0.662 269 HA SER 98 HA SER 98 -30.251 0.270 0.877 270 HG SER 98 HG SER 98 -29.210 3.896 -0.161 271 H CYS 99 H CYS 99 -31.864 -0.568 -0.345 272 HA CYS 99 HA CYS 99 -31.274 -1.337 -3.010 273 H ASN 100 H ASN 100 -32.560 -0.877 -4.919 274 HA ASN 100 HA ASN 100 -33.187 1.951 -5.082 275 H SER 101 H SER 101 -34.780 -0.863 -6.588 276 HA SER 101 HA SER 101 -37.261 0.432 -6.851 277 HG SER 101 HG SER 101 -39.022 -1.811 -7.100 278 H GLY 102 H GLY 102 -35.810 -1.122 -4.157 279 H TYR 103 H TYR 103 -35.389 -2.765 -3.218 280 HA TYR 103 HA TYR 103 -36.507 -5.240 -2.407 281 HD1 TYR 103 HD1 TYR 103 -34.786 -3.753 -5.410 282 HD2 TYR 103 HD2 TYR 103 -35.116 -7.665 -3.767 283 HE1 TYR 103 HE1 TYR 103 -35.478 -4.612 -7.608 284 HE2 TYR 103 HE2 TYR 103 -35.809 -8.534 -5.960 285 HH TYR 103 HH TYR 103 -35.682 -6.573 -8.839 286 H SER 104 H SER 104 -34.664 -6.537 -0.918 287 HA SER 104 HA SER 104 -34.801 -5.107 1.641 288 HG SER 104 HG SER 104 -36.774 -6.721 0.820 289 H LEU 105 H LEU 105 -32.904 -4.196 2.045 290 HA LEU 105 HA LEU 105 -30.403 -4.775 1.128 291 HG LEU 105 HG LEU 105 -29.627 -1.793 2.959 292 H ILE 106 H ILE 106 -29.450 -6.678 1.066 293 HA ILE 106 HA ILE 106 -29.923 -8.685 3.085 294 HB ILE 106 HB ILE 106 -28.128 -8.742 0.662 295 H GLY 107 H GLY 107 -28.127 -9.836 4.118 296 H ASN 108 H ASN 108 -24.550 -7.232 5.106 297 HA ASN 108 HA ASN 108 -26.064 -5.624 7.054 298 H SER 109 H SER 109 -26.409 -3.526 6.640 299 HA SER 109 HA SER 109 -26.003 -2.525 4.015 300 HG SER 109 HG SER 109 -28.628 -1.492 6.567 301 H GLY 110 H GLY 110 -24.321 -2.235 7.039 302 H VAL 111 H VAL 111 -20.771 0.002 5.250 303 HA VAL 111 HA VAL 111 -19.418 -2.560 4.720 304 HB VAL 111 HB VAL 111 -19.357 -0.300 2.772 305 H LEU 112 H LEU 112 -17.390 -2.604 5.451 306 HA LEU 112 HA LEU 112 -16.207 -0.170 6.458 307 HG LEU 112 HG LEU 112 -13.317 -1.537 6.497 308 H CYS 113 H CYS 113 -14.842 1.097 5.420 309 HA CYS 113 HA CYS 113 -13.650 0.202 2.916 310 H SER 114 H SER 114 -11.890 -1.026 3.255 311 HA SER 114 HA SER 114 -9.728 0.102 4.865 312 HG SER 114 HG SER 114 -11.425 -3.065 4.563 313 H GLY 115 H GLY 115 -7.650 -0.756 4.412 314 H GLY 116 H GLY 116 -8.066 0.440 1.802 315 H GLU 117 H GLU 117 -9.773 -1.347 0.882 316 HA GLU 117 HA GLU 117 -11.493 -1.743 -1.460 317 H TRP 118 H TRP 118 -13.457 -3.190 -0.665 318 HA TRP 118 HA TRP 118 -14.413 -1.985 1.843 319 HD1 TRP 118 HD1 TRP 118 -14.654 -0.674 -2.028 320 HE1 TRP 118 HE1 TRP 118 -14.784 1.888 -1.831 321 HE3 TRP 118 HE3 TRP 118 -16.996 -0.322 2.501 322 HZ2 TRP 118 HZ2 TRP 118 -15.756 3.802 -0.008 323 HZ3 TRP 118 HZ3 TRP 118 -17.483 1.912 3.401 324 HH2 TRP 118 HH2 TRP 118 -16.881 3.934 2.170 325 H SER 119 H SER 119 -15.675 -3.248 3.234 326 HA SER 119 HA SER 119 -15.678 -6.134 2.649 327 HG SER 119 HG SER 119 -13.402 -4.599 5.349 328 H ASP 120 H ASP 120 -17.159 -7.378 4.019 329 HA ASP 120 HA ASP 120 -19.321 -7.878 4.501 330 HA PRO 121 HA PRO 121 -21.294 -4.503 1.920 331 HA PRO 122 HA PRO 122 -24.878 -7.146 1.951 332 H THR 123 H THR 123 -27.136 -6.980 0.766 333 HA THR 123 HA THR 123 -26.799 -6.666 -2.125 334 HB THR 123 HB THR 123 -28.300 -9.085 -1.375 335 HG1 THR 123 HG1 THR 123 -26.773 -9.996 -0.294 336 H CYS 124 H CYS 124 -29.211 -7.584 -2.981 337 HA CYS 124 HA CYS 124 -31.239 -6.334 -1.298 338 H GLN 125 H GLN 125 -32.292 -8.233 -1.008 339 HA GLN 125 HA GLN 125 -33.457 -9.449 -3.418 340 H ILE 126 H ILE 126 -35.547 -10.423 -3.122 341 HA ILE 126 HA ILE 126 -37.237 -8.793 -1.428 342 HB ILE 126 HB ILE 126 -37.973 -10.945 -3.412 No H/Q in entry = 342 Start of MODEL 44 1 H ARG 7 H ARG 7 -33.476 5.935 3.592 2 HA ARG 7 HA ARG 7 -33.392 4.650 0.944 3 HE ARG 7 HE ARG 7 -35.979 6.259 -0.594 4 1HH1 ARG 7 1HH1 ARG 7 -35.862 9.526 -1.791 5 1HH2 ARG 7 1HH2 ARG 7 -37.658 5.935 -2.104 6 H ARG 8 H ARG 8 -30.915 5.986 0.218 7 HA ARG 8 HA ARG 8 -28.715 5.539 0.148 8 HE ARG 8 HE ARG 8 -29.574 7.729 5.036 9 1HH1 ARG 8 1HH1 ARG 8 -26.538 9.317 4.420 10 1HH2 ARG 8 1HH2 ARG 8 -29.269 8.331 7.212 11 H CYS 9 H CYS 9 -26.997 3.955 0.607 12 HA CYS 9 HA CYS 9 -28.101 1.273 0.558 13 HA PRO 10 HA PRO 10 -27.010 0.085 4.652 14 H SER 11 H SER 11 -25.187 -0.875 6.003 15 HA SER 11 HA SER 11 -22.889 0.605 5.761 16 HG SER 11 HG SER 11 -23.918 -1.155 8.788 17 HA PRO 12 HA PRO 12 -21.207 -1.411 2.070 18 H ARG 13 H ARG 13 -19.817 -3.087 1.808 19 HA ARG 13 HA ARG 13 -18.854 -4.515 3.979 20 HE ARG 13 HE ARG 13 -16.800 -8.229 3.324 21 1HH1 ARG 13 1HH1 ARG 13 -20.272 -8.252 3.047 22 1HH2 ARG 13 1HH2 ARG 13 -17.108 -9.321 5.299 23 H ASP 14 H ASP 14 -16.769 -4.854 4.796 24 HA ASP 14 HA ASP 14 -15.099 -2.465 4.583 25 H ILE 15 H ILE 15 -12.728 -3.169 5.386 26 HA ILE 15 HA ILE 15 -11.817 -5.400 3.708 27 HB ILE 15 HB ILE 15 -11.533 -3.384 2.380 28 H ASP 16 H ASP 16 -9.873 -6.371 4.376 29 HA ASP 16 HA ASP 16 -9.408 -6.163 7.204 30 H ASN 17 H ASN 17 -7.155 -6.092 4.435 31 HA ASN 17 HA ASN 17 -5.221 -4.682 6.096 32 H GLY 18 H GLY 18 -7.681 -3.370 5.071 33 H GLN 19 H GLN 19 -8.205 0.683 3.449 34 HA GLN 19 HA GLN 19 -10.067 0.725 5.710 35 H LEU 20 H LEU 20 -12.041 1.369 5.086 36 HA LEU 20 HA LEU 20 -12.530 2.133 2.395 37 HG LEU 20 HG LEU 20 -14.662 0.876 1.956 38 H ASP 21 H ASP 21 -13.542 4.037 1.646 39 HA ASP 21 HA ASP 21 -13.304 6.395 3.379 40 H ILE 22 H ILE 22 -15.591 5.906 3.639 41 HA ILE 22 HA ILE 22 -17.386 5.931 1.446 42 HB ILE 22 HB ILE 22 -18.004 6.504 4.342 43 H GLY 23 H GLY 23 -17.596 7.648 0.174 44 H GLY 24 H GLY 24 -19.874 8.054 0.787 45 H VAL 25 H VAL 25 -23.666 8.130 1.160 46 HA VAL 25 HA VAL 25 -23.406 5.362 0.190 47 HB VAL 25 HB VAL 25 -24.662 4.669 2.178 48 H ASP 26 H ASP 26 -24.824 7.592 -1.174 49 HA ASP 26 HA ASP 26 -27.590 6.636 -0.980 50 H PHE 27 H PHE 27 -28.803 6.436 -3.003 51 HA PHE 27 HA PHE 27 -27.630 4.556 -4.709 52 HD1 PHE 27 HD1 PHE 27 -28.017 3.420 -6.293 53 HD2 PHE 27 HD2 PHE 27 -31.610 5.619 -6.908 54 HE1 PHE 27 HE1 PHE 27 -28.351 2.268 -8.444 55 HE2 PHE 27 HE2 PHE 27 -31.945 4.475 -9.060 56 HZ PHE 27 HZ PHE 27 -30.313 2.802 -9.830 57 H GLY 28 H GLY 28 -25.755 5.279 -5.632 58 H SER 29 H SER 29 -24.429 6.495 -4.821 59 HA SER 29 HA SER 29 -22.401 8.533 -5.195 60 HG SER 29 HG SER 29 -24.227 9.073 -3.361 61 H SER 30 H SER 30 -20.413 7.361 -3.498 62 HA SER 30 HA SER 30 -19.621 4.833 -4.504 63 HG SER 30 HG SER 30 -17.564 7.773 -4.947 64 H ILE 31 H ILE 31 -17.653 4.075 -3.625 65 HA ILE 31 HA ILE 31 -16.712 5.640 -1.311 66 HB ILE 31 HB ILE 31 -16.171 2.743 -1.299 67 H THR 32 H THR 32 -14.443 4.837 -0.601 68 HA THR 32 HA THR 32 -12.789 4.254 -2.957 69 HB THR 32 HB THR 32 -11.880 6.226 -0.874 70 HG1 THR 32 HG1 THR 32 -13.396 7.481 -1.612 71 H TYR 33 H TYR 33 -11.941 2.342 -2.552 72 HA TYR 33 HA TYR 33 -11.330 1.509 0.147 73 HD1 TYR 33 HD1 TYR 33 -13.844 0.551 -2.182 74 HD2 TYR 33 HD2 TYR 33 -11.477 -1.721 0.524 75 HE1 TYR 33 HE1 TYR 33 -15.886 -0.462 -1.251 76 HE2 TYR 33 HE2 TYR 33 -13.512 -2.741 1.461 77 HH TYR 33 HH TYR 33 -16.231 -2.973 0.132 78 H SER 34 H SER 34 -9.399 1.446 1.084 79 HA SER 34 HA SER 34 -7.015 1.900 -0.565 80 HG SER 34 HG SER 34 -8.847 4.330 1.493 81 H CYS 35 H CYS 35 -4.987 1.398 0.624 82 HA CYS 35 HA CYS 35 -5.357 -1.036 2.145 83 H ASN 36 H ASN 36 -3.877 -1.397 4.076 84 HA ASN 36 HA ASN 36 -4.593 0.426 6.101 85 H SER 37 H SER 37 -1.224 -0.502 5.495 86 HA SER 37 HA SER 37 -0.410 2.232 5.078 87 HG SER 37 HG SER 37 -0.071 3.554 6.597 88 H GLY 38 H GLY 38 1.442 2.339 3.918 89 H TYR 39 H TYR 39 0.522 0.328 2.407 90 HA TYR 39 HA TYR 39 1.341 -2.257 1.252 91 HD1 TYR 39 HD1 TYR 39 1.476 -2.503 3.823 92 HD2 TYR 39 HD2 TYR 39 -1.965 -4.468 2.277 93 HE1 TYR 39 HE1 TYR 39 2.008 -4.485 5.174 94 HE2 TYR 39 HE2 TYR 39 -1.442 -6.458 3.622 95 HH TYR 39 HH TYR 39 0.796 -6.437 6.139 96 H HIS 40 H HIS 40 -0.031 -2.932 -0.649 97 HA HIS 40 HA HIS 40 -0.697 -0.612 -2.328 98 HD1 HIS 40 HD1 HIS 40 1.458 0.234 -4.113 99 HD2 HIS 40 HD2 HIS 40 2.949 -3.191 -2.295 100 HE1 HIS 40 HE1 HIS 40 3.909 0.674 -3.765 101 HE2 HIS 40 HE2 HIS 40 4.795 -1.412 -2.664 102 H LEU 41 H LEU 41 -2.784 -0.502 -2.886 103 HA LEU 41 HA LEU 41 -4.475 -2.817 -2.446 104 HG LEU 41 HG LEU 41 -6.886 -2.400 -2.593 105 H ILE 42 H ILE 42 -4.567 -4.275 -4.020 106 HA ILE 42 HA ILE 42 -3.985 -3.516 -6.750 107 HB ILE 42 HB ILE 42 -4.900 -6.268 -6.052 108 H GLY 43 H GLY 43 -5.341 -4.011 -8.553 109 H GLU 44 H GLU 44 -9.907 -3.389 -8.334 110 HA GLU 44 HA GLU 44 -9.727 -0.570 -8.820 111 H SER 45 H SER 45 -10.621 1.018 -7.215 112 HA SER 45 HA SER 45 -10.085 0.315 -4.429 113 HG SER 45 HG SER 45 -7.731 2.977 -6.342 114 H LYS 46 H LYS 46 -12.447 1.016 -6.140 115 HA LYS 46 HA LYS 46 -13.572 2.999 -4.333 116 H SER 47 H SER 47 -15.670 2.645 -3.860 117 HA SER 47 HA SER 47 -17.023 0.468 -5.301 118 HG SER 47 HG SER 47 -17.189 -1.089 -3.909 119 H TYR 48 H TYR 48 -19.370 0.661 -5.560 120 HA TYR 48 HA TYR 48 -20.253 3.454 -5.756 121 HD1 TYR 48 HD1 TYR 48 -18.362 4.059 -7.100 122 HD2 TYR 48 HD2 TYR 48 -19.327 0.571 -9.320 123 HE1 TYR 48 HE1 TYR 48 -16.077 4.012 -7.994 124 HE2 TYR 48 HE2 TYR 48 -17.044 0.505 -10.223 125 HH TYR 48 HH TYR 48 -14.536 2.620 -9.039 126 H CYS 49 H CYS 49 -22.102 3.805 -4.787 127 HA CYS 49 HA CYS 49 -23.724 1.634 -3.842 128 H GLU 50 H GLU 50 -24.621 0.587 -5.542 129 HA GLU 50 HA GLU 50 -26.470 2.148 -7.227 130 H LEU 51 H LEU 51 -28.046 0.234 -8.256 131 HA LEU 51 HA LEU 51 -29.413 -0.810 -5.879 132 HG LEU 51 HG LEU 51 -29.584 0.043 -9.429 133 H GLY 52 H GLY 52 -30.269 -2.930 -5.893 134 H SER 53 H SER 53 -31.915 -4.495 -6.003 135 HA SER 53 HA SER 53 -33.040 -6.475 -7.813 136 HG SER 53 HG SER 53 -34.875 -7.689 -5.869 137 H THR 54 H THR 54 -32.296 -4.337 -9.269 138 HA THR 54 HA THR 54 -33.008 -2.750 -10.744 139 HB THR 54 HB THR 54 -34.954 -3.256 -11.926 140 HG1 THR 54 HG1 THR 54 -36.076 -4.484 -9.636 141 H GLY 55 H GLY 55 -33.181 -2.190 -7.864 142 H SER 56 H SER 56 -33.738 -2.567 -6.039 143 HA SER 56 HA SER 56 -33.753 -1.515 -3.452 144 HG SER 56 HG SER 56 -33.926 -4.335 -2.551 145 H MET 57 H MET 57 -31.214 -2.218 -2.428 146 HA MET 57 HA MET 57 -29.458 -0.185 -3.622 147 H VAL 58 H VAL 58 -27.344 -0.713 -3.775 148 HA VAL 58 HA VAL 58 -26.266 -2.972 -2.302 149 HB VAL 58 HB VAL 58 -25.401 -3.997 -4.450 150 H TRP 59 H TRP 59 -23.907 -3.355 -3.051 151 HA TRP 59 HA TRP 59 -22.640 -0.783 -3.724 152 HD1 TRP 59 HD1 TRP 59 -23.710 -1.814 0.225 153 HE1 TRP 59 HE1 TRP 59 -24.129 0.476 1.326 154 HE3 TRP 59 HE3 TRP 59 -20.672 1.070 -2.709 155 HZ2 TRP 59 HZ2 TRP 59 -23.282 3.151 0.989 156 HZ3 TRP 59 HZ3 TRP 59 -20.536 3.482 -2.254 157 HH2 TRP 59 HH2 TRP 59 -21.808 4.491 -0.448 158 H ASN 60 H ASN 60 -21.135 -0.894 -5.299 159 HA ASN 60 HA ASN 60 -19.555 -3.257 -5.709 160 HA PRO 61 HA PRO 61 -17.864 -3.952 -6.971 161 H GLU 62 H GLU 62 -16.014 -4.844 -5.207 162 HA GLU 62 HA GLU 62 -17.035 -3.911 -2.631 163 H ALA 63 H ALA 63 -15.077 -5.593 -1.216 164 HA ALA 63 HA ALA 63 -12.965 -3.701 -0.973 165 HA PRO 64 HA PRO 64 -10.601 -5.665 -4.275 166 H ILE 65 H ILE 65 -7.726 -5.282 -4.144 167 HA ILE 65 HA ILE 65 -7.134 -7.258 -2.058 168 HB ILE 65 HB ILE 65 -5.153 -6.619 -4.169 169 H CYS 66 H CYS 66 -4.808 -7.143 -1.243 170 HA CYS 66 HA CYS 66 -3.614 -4.530 -1.108 171 H GLU 67 H GLU 67 -1.467 -4.671 -0.724 172 HA GLU 67 HA GLU 67 -0.393 -7.026 0.625 173 H SER 68 H SER 68 1.840 -6.779 1.277 174 HA SER 68 HA SER 68 2.399 -4.089 2.104 175 HG SER 68 HG SER 68 4.517 -7.328 2.316 176 H VAL 69 H VAL 69 3.707 -2.662 1.251 177 HA VAL 69 HA VAL 69 4.742 -2.784 -1.291 178 HB VAL 69 HB VAL 69 6.229 -0.884 -0.592 179 H LYS 70 H LYS 70 5.926 -4.621 -1.756 180 HA LYS 70 HA LYS 70 8.166 -5.401 -0.123 181 H CYS 71 H CYS 71 10.079 -4.441 -0.197 182 HA CYS 71 HA CYS 71 10.862 -3.000 -2.627 183 H GLN 72 H GLN 72 12.173 -3.925 -4.000 184 HA GLN 72 HA GLN 72 13.465 -6.398 -3.429 185 H SER 73 H SER 73 15.914 -6.001 -4.860 186 HA SER 73 HA SER 73 17.693 -5.524 -2.843 187 HG SER 73 HG SER 73 19.458 -3.953 -5.473 188 HA PRO 74 HA PRO 74 17.593 -1.176 -1.994 189 HA PRO 75 HA PRO 75 18.939 1.286 -5.385 190 H SER 76 H SER 76 20.739 1.728 -6.721 191 HA SER 76 HA SER 76 23.141 0.177 -6.024 192 HG SER 76 HG SER 76 22.925 -1.616 -7.623 193 H ILE 77 H ILE 77 24.214 1.818 -4.912 194 HA ILE 77 HA ILE 77 24.550 4.441 -5.933 195 HB ILE 77 HB ILE 77 26.211 4.758 -4.202 196 H SER 78 H SER 78 26.881 5.322 -6.164 197 HA SER 78 HA SER 78 28.151 3.760 -8.284 198 HG SER 78 HG SER 78 27.104 7.186 -8.772 199 H ASN 79 H ASN 79 30.293 3.156 -8.238 200 HA ASN 79 HA ASN 79 32.255 2.469 -7.328 201 H GLY 80 H GLY 80 29.694 1.562 -6.193 202 H ARG 81 H ARG 81 28.530 -0.612 -2.618 203 HA ARG 81 HA ARG 81 26.427 -1.399 -4.362 204 HE ARG 81 HE ARG 81 29.739 -6.472 -4.005 205 1HH1 ARG 81 1HH1 ARG 81 31.853 -3.731 -3.622 206 1HH2 ARG 81 1HH2 ARG 81 31.244 -7.610 -2.724 207 H HIS 82 H HIS 82 25.308 -3.453 -3.184 208 HA HIS 82 HA HIS 82 25.068 -2.656 -0.363 209 HD1 HIS 82 HD1 HIS 82 23.415 -5.713 -2.555 210 HD2 HIS 82 HD2 HIS 82 21.901 -2.049 -3.803 211 HE1 HIS 82 HE1 HIS 82 22.494 -6.115 -4.861 212 HE2 HIS 82 HE2 HIS 82 21.582 -3.884 -5.597 213 H ASN 83 H ASN 83 24.164 -4.423 1.069 214 HA ASN 83 HA ASN 83 25.636 -6.895 0.499 215 H GLY 84 H GLY 84 22.878 -6.578 2.682 216 H TYR 85 H TYR 85 20.011 -9.662 3.029 217 HA TYR 85 HA TYR 85 21.794 -11.888 2.319 218 HD1 TYR 85 HD1 TYR 85 22.868 -10.299 3.997 219 HD2 TYR 85 HD2 TYR 85 19.680 -11.376 6.601 220 HE1 TYR 85 HE1 TYR 85 23.604 -8.585 5.599 221 HE2 TYR 85 HE2 TYR 85 20.407 -9.665 8.210 222 HH TYR 85 HH TYR 85 23.233 -8.374 8.373 223 H GLU 86 H GLU 86 18.533 -10.696 2.289 224 HA GLU 86 HA GLU 86 17.532 -13.150 1.072 225 H ASP 87 H ASP 87 15.572 -12.303 -0.570 226 HA ASP 87 HA ASP 87 17.065 -10.967 -2.713 227 H PHE 88 H PHE 88 14.276 -10.725 -0.702 228 HA PHE 88 HA PHE 88 13.588 -8.187 -2.012 229 HD1 PHE 88 HD1 PHE 88 12.761 -10.874 -3.836 230 HD2 PHE 88 HD2 PHE 88 10.284 -7.590 -2.757 231 HE1 PHE 88 HE1 PHE 88 12.202 -10.525 -6.203 232 HE2 PHE 88 HE2 PHE 88 9.720 -7.233 -5.120 233 HZ PHE 88 HZ PHE 88 10.677 -8.701 -6.853 234 H TYR 89 H TYR 89 12.038 -6.896 -0.531 235 HA TYR 89 HA TYR 89 12.548 -7.334 2.304 236 HD1 TYR 89 HD1 TYR 89 14.758 -6.257 -0.625 237 HD2 TYR 89 HD2 TYR 89 15.366 -5.955 3.576 238 HE1 TYR 89 HE1 TYR 89 17.048 -7.106 -0.899 239 HE2 TYR 89 HE2 TYR 89 17.660 -6.801 3.309 240 HH TYR 89 HH TYR 89 19.224 -6.973 0.362 241 H THR 90 H THR 90 11.373 -5.664 3.653 242 HA THR 90 HA THR 90 9.015 -4.571 2.299 243 HB THR 90 HB THR 90 7.624 -5.449 4.246 244 HG1 THR 90 HG1 THR 90 9.660 -6.052 5.406 245 H ASP 91 H ASP 91 7.618 -3.518 4.290 246 HA ASP 91 HA ASP 91 9.082 -1.250 5.051 247 H GLY 92 H GLY 92 10.872 -1.697 6.197 248 H SER 93 H SER 93 12.562 -2.632 6.088 249 HA SER 93 HA SER 93 14.272 -4.702 7.297 250 HG SER 93 HG SER 93 12.042 -4.983 5.579 251 H VAL 94 H VAL 94 16.556 -4.577 6.956 252 HA VAL 94 HA VAL 94 17.509 -1.920 6.147 253 HB VAL 94 HB VAL 94 18.384 -3.454 8.596 254 H VAL 95 H VAL 95 19.690 -1.825 5.419 255 HA VAL 95 HA VAL 95 21.077 -4.340 4.916 256 HB VAL 95 HB VAL 95 20.371 -2.492 2.639 257 H THR 96 H THR 96 23.281 -4.071 4.393 258 HA THR 96 HA THR 96 24.294 -1.384 5.020 259 HB THR 96 HB THR 96 26.428 -3.153 5.273 260 HG1 THR 96 HG1 THR 96 25.682 -4.881 6.387 261 H TYR 97 H TYR 97 25.314 -0.303 3.527 262 HA TYR 97 HA TYR 97 25.800 -1.508 0.959 263 HD1 TYR 97 HD1 TYR 97 23.386 -0.374 1.811 264 HD2 TYR 97 HD2 TYR 97 25.482 1.785 -1.213 265 HE1 TYR 97 HE1 TYR 97 21.330 -0.228 0.486 266 HE2 TYR 97 HE2 TYR 97 23.415 1.935 -2.534 267 HH TYR 97 HH TYR 97 21.130 0.300 -2.560 268 H SER 98 H SER 98 27.861 -1.139 -0.212 269 HA SER 98 HA SER 98 30.221 -0.859 1.468 270 HG SER 98 HG SER 98 30.455 -4.418 -0.396 271 H CYS 99 H CYS 99 31.819 0.138 0.416 272 HA CYS 99 HA CYS 99 31.504 0.932 -2.295 273 H ASN 100 H ASN 100 32.930 0.466 -4.069 274 HA ASN 100 HA ASN 100 33.711 -2.333 -4.087 275 H SER 101 H SER 101 35.205 0.510 -5.644 276 HA SER 101 HA SER 101 37.757 -0.590 -5.806 277 HG SER 101 HG SER 101 39.400 1.739 -6.445 278 H GLY 102 H GLY 102 36.113 0.747 -3.100 279 H TYR 103 H TYR 103 35.641 2.374 -2.150 280 HA TYR 103 HA TYR 103 36.693 4.808 -1.138 281 HD1 TYR 103 HD1 TYR 103 35.663 7.211 -2.516 282 HD2 TYR 103 HD2 TYR 103 34.993 3.443 -4.374 283 HE1 TYR 103 HE1 TYR 103 36.541 8.106 -4.631 284 HE2 TYR 103 HE2 TYR 103 35.868 4.328 -6.496 285 HH TYR 103 HH TYR 103 37.623 7.136 -6.733 286 H SER 104 H SER 104 34.806 6.065 0.250 287 HA SER 104 HA SER 104 34.587 4.488 2.716 288 HG SER 104 HG SER 104 35.554 5.555 4.485 289 H LEU 105 H LEU 105 32.621 3.741 2.966 290 HA LEU 105 HA LEU 105 30.296 4.460 1.723 291 HG LEU 105 HG LEU 105 29.008 1.552 3.419 292 H ILE 106 H ILE 106 29.328 6.351 1.648 293 HA ILE 106 HA ILE 106 29.548 8.215 3.877 294 HB ILE 106 HB ILE 106 28.397 8.600 1.116 295 H GLY 107 H GLY 107 27.600 9.426 4.558 296 H ASN 108 H ASN 108 27.260 7.070 5.872 297 HA ASN 108 HA ASN 108 27.282 5.040 6.871 298 H SER 109 H SER 109 27.154 3.034 6.176 299 HA SER 109 HA SER 109 26.006 2.396 3.722 300 HG SER 109 HG SER 109 27.187 -0.272 6.462 301 H GLY 110 H GLY 110 24.734 2.213 6.935 302 H VAL 111 H VAL 111 20.895 0.194 5.547 303 HA VAL 111 HA VAL 111 19.655 2.708 4.636 304 HB VAL 111 HB VAL 111 19.304 0.185 3.091 305 H LEU 112 H LEU 112 17.354 2.740 4.621 306 HA LEU 112 HA LEU 112 16.172 0.582 6.239 307 HG LEU 112 HG LEU 112 13.387 2.159 6.139 308 H CYS 113 H CYS 113 15.101 -0.779 4.972 309 HA CYS 113 HA CYS 113 13.848 0.028 2.523 310 H SER 114 H SER 114 12.162 1.386 2.734 311 HA SER 114 HA SER 114 9.869 0.497 4.298 312 HG SER 114 HG SER 114 11.612 3.742 4.047 313 H GLY 115 H GLY 115 7.893 1.656 3.774 314 H GLY 116 H GLY 116 8.262 0.212 1.311 315 H GLU 117 H GLU 117 10.117 1.742 0.214 316 HA GLU 117 HA GLU 117 12.013 1.504 -2.005 317 H TRP 118 H TRP 118 14.097 2.759 -1.389 318 HA TRP 118 HA TRP 118 14.746 2.007 1.371 319 HD1 TRP 118 HD1 TRP 118 15.062 0.342 -2.263 320 HE1 TRP 118 HE1 TRP 118 15.007 -2.196 -1.864 321 HE3 TRP 118 HE3 TRP 118 17.335 0.181 2.322 322 HZ2 TRP 118 HZ2 TRP 118 15.811 -4.017 0.115 323 HZ3 TRP 118 HZ3 TRP 118 17.642 -2.013 3.401 324 HH2 TRP 118 HH2 TRP 118 16.892 -4.070 2.312 325 H SER 119 H SER 119 15.165 3.527 2.807 326 HA SER 119 HA SER 119 15.530 6.274 1.863 327 HG SER 119 HG SER 119 13.237 4.769 4.416 328 H ASP 120 H ASP 120 17.000 7.675 2.993 329 HA ASP 120 HA ASP 120 19.129 8.255 3.507 330 HA PRO 121 HA PRO 121 21.049 4.451 1.385 331 HA PRO 122 HA PRO 122 24.754 6.842 1.791 332 H THR 123 H THR 123 27.092 6.643 0.838 333 HA THR 123 HA THR 123 27.011 6.450 -2.088 334 HB THR 123 HB THR 123 28.679 8.647 -1.126 335 HG1 THR 123 HG1 THR 123 26.929 10.024 -0.665 336 H CYS 124 H CYS 124 29.683 7.442 -2.403 337 HA CYS 124 HA CYS 124 31.373 5.870 -0.681 338 H GLN 125 H GLN 125 32.402 7.789 -0.240 339 HA GLN 125 HA GLN 125 33.917 8.958 -2.478 340 H ILE 126 H ILE 126 35.916 10.174 -1.584 341 HA ILE 126 HA ILE 126 37.368 8.254 0.092 342 HB ILE 126 HB ILE 126 38.439 10.376 -1.771 No H/Q in entry = 342 Start of MODEL 45 1 H ARG 7 H ARG 7 33.461 3.679 -2.079 2 HA ARG 7 HA ARG 7 33.043 6.332 -0.908 3 HE ARG 7 HE ARG 7 36.073 7.728 -4.094 4 1HH1 ARG 7 1HH1 ARG 7 34.149 9.542 -6.362 5 1HH2 ARG 7 1HH2 ARG 7 37.812 8.093 -5.522 6 H ARG 8 H ARG 8 31.271 5.927 0.268 7 HA ARG 8 HA ARG 8 29.216 5.177 0.892 8 HE ARG 8 HE ARG 8 28.396 9.104 -2.775 9 1HH1 ARG 8 1HH1 ARG 8 26.550 10.565 -0.209 10 2HH2 ARG 8 2HH2 ARG 8 26.601 12.017 -3.390 11 H CYS 9 H CYS 9 27.069 4.158 -0.320 12 HA CYS 9 HA CYS 9 27.952 1.477 -1.067 13 HA PRO 10 HA PRO 10 26.358 1.996 -5.186 14 H SER 11 H SER 11 24.406 1.497 -6.712 15 HA SER 11 HA SER 11 22.208 2.943 -5.888 16 HG SER 11 HG SER 11 20.180 2.262 -7.751 17 HA PRO 12 HA PRO 12 20.631 0.019 -2.801 18 H ARG 13 H ARG 13 18.936 -1.483 -2.741 19 HA ARG 13 HA ARG 13 17.967 -2.350 -5.253 20 HE ARG 13 HE ARG 13 16.603 -7.053 -4.372 21 1HH1 ARG 13 1HH1 ARG 13 19.606 -7.485 -2.658 22 1HH2 ARG 13 1HH2 ARG 13 16.535 -9.331 -4.501 23 H ASP 14 H ASP 14 15.568 -2.746 -5.627 24 HA ASP 14 HA ASP 14 14.114 -0.303 -4.875 25 H ILE 15 H ILE 15 11.666 -0.740 -5.686 26 HA ILE 15 HA ILE 15 10.724 -3.314 -4.683 27 HB ILE 15 HB ILE 15 10.845 -1.805 -2.716 28 H ASP 16 H ASP 16 8.826 -3.959 -5.616 29 HA ASP 16 HA ASP 16 8.071 -2.725 -8.024 30 H ASN 17 H ASN 17 5.826 -3.368 -5.342 31 HA ASN 17 HA ASN 17 4.252 -1.074 -6.185 32 H GLY 18 H GLY 18 6.665 -0.264 -5.205 33 H GLN 19 H GLN 19 7.587 2.819 -2.180 34 HA GLN 19 HA GLN 19 9.407 3.541 -4.368 35 H LEU 20 H LEU 20 11.427 3.968 -3.704 36 HA LEU 20 HA LEU 20 12.066 3.644 -0.928 37 HG LEU 20 HG LEU 20 13.119 3.083 -4.354 38 H ASP 21 H ASP 21 13.628 5.112 0.144 39 HA ASP 21 HA ASP 21 13.307 7.931 -0.581 40 H ILE 22 H ILE 22 15.477 7.379 -1.414 41 HA ILE 22 HA ILE 22 17.573 6.650 0.366 42 HB ILE 22 HB ILE 22 17.766 7.926 -2.365 43 H GLY 23 H GLY 23 17.648 8.071 2.089 44 H GLY 24 H GLY 24 20.073 8.507 1.227 45 H VAL 25 H VAL 25 23.935 8.382 0.649 46 HA VAL 25 HA VAL 25 23.417 5.485 0.805 47 HB VAL 25 HB VAL 25 24.506 5.258 -1.367 48 H ASP 26 H ASP 26 25.466 7.734 2.046 49 HA ASP 26 HA ASP 26 27.996 6.531 1.596 50 H PHE 27 H PHE 27 29.302 5.359 3.082 51 HA PHE 27 HA PHE 27 28.155 3.102 4.160 52 HD1 PHE 27 HD1 PHE 27 28.724 1.353 5.166 53 HD2 PHE 27 HD2 PHE 27 32.193 3.451 6.468 54 HE1 PHE 27 HE1 PHE 27 29.148 -0.398 6.846 55 HE2 PHE 27 HE2 PHE 27 32.622 1.707 8.149 56 HZ PHE 27 HZ PHE 27 31.100 -0.217 8.341 57 H GLY 28 H GLY 28 26.564 3.108 5.611 58 H SER 29 H SER 29 25.285 4.953 5.397 59 HA SER 29 HA SER 29 23.323 6.602 6.641 60 HG SER 29 HG SER 29 24.401 5.455 3.128 61 H SER 30 H SER 30 21.003 6.274 5.312 62 HA SER 30 HA SER 30 20.141 3.518 5.462 63 HG SER 30 HG SER 30 18.787 5.924 8.440 64 H ILE 31 H ILE 31 17.993 3.193 4.655 65 HA ILE 31 HA ILE 31 17.016 5.441 3.012 66 HB ILE 31 HB ILE 31 16.276 2.747 2.097 67 H THR 32 H THR 32 14.662 5.145 2.368 68 HA THR 32 HA THR 32 13.146 3.843 4.524 69 HB THR 32 HB THR 32 11.950 6.285 3.378 70 HG1 THR 32 HG1 THR 32 13.273 7.680 4.447 71 H TYR 33 H TYR 33 12.067 2.231 3.631 72 HA TYR 33 HA TYR 33 11.193 2.398 0.865 73 HD1 TYR 33 HD1 TYR 33 13.835 0.642 2.499 74 HD2 TYR 33 HD2 TYR 33 11.179 -0.497 -0.620 75 HE1 TYR 33 HE1 TYR 33 15.760 -0.015 1.107 76 HE2 TYR 33 HE2 TYR 33 13.089 -1.158 -2.022 77 HH TYR 33 HH TYR 33 15.484 -0.674 -2.218 78 H SER 34 H SER 34 9.166 2.625 0.171 79 HA SER 34 HA SER 34 6.968 2.496 2.108 80 HG SER 34 HG SER 34 7.742 4.415 -0.689 81 H CYS 35 H CYS 35 4.806 2.620 0.953 82 HA CYS 35 HA CYS 35 4.915 0.816 -1.315 83 H ASN 36 H ASN 36 3.447 1.186 -3.186 84 HA ASN 36 HA ASN 36 4.054 3.592 -4.473 85 H SER 37 H SER 37 0.689 2.603 -4.020 86 HA SER 37 HA SER 37 0.005 4.995 -2.573 87 HG SER 37 HG SER 37 0.650 6.358 -5.480 88 H GLY 38 H GLY 38 -1.767 4.661 -1.359 89 H TYR 39 H TYR 39 -0.923 2.243 -0.785 90 HA TYR 39 HA TYR 39 -1.815 -0.560 -0.620 91 HD1 TYR 39 HD1 TYR 39 -2.043 0.092 -2.972 92 HD2 TYR 39 HD2 TYR 39 1.482 -2.244 -2.518 93 HE1 TYR 39 HE1 TYR 39 -2.669 -1.228 -4.951 94 HE2 TYR 39 HE2 TYR 39 0.870 -3.569 -4.493 95 HH TYR 39 HH TYR 39 -0.519 -3.318 -6.521 96 H HIS 40 H HIS 40 0.002 -1.822 0.749 97 HA HIS 40 HA HIS 40 0.663 -0.288 3.142 98 HD1 HIS 40 HD1 HIS 40 -0.781 -4.111 5.397 99 HD2 HIS 40 HD2 HIS 40 -0.842 -3.745 1.260 100 HE1 HIS 40 HE1 HIS 40 -1.034 -6.454 4.518 101 HE2 HIS 40 HE2 HIS 40 -1.068 -6.209 2.011 102 H LEU 41 H LEU 41 2.754 -0.501 3.403 103 HA LEU 41 HA LEU 41 4.223 -2.696 2.266 104 HG LEU 41 HG LEU 41 6.749 -2.526 3.009 105 H ILE 42 H ILE 42 4.779 -4.520 3.265 106 HA ILE 42 HA ILE 42 4.229 -4.725 6.133 107 HB ILE 42 HB ILE 42 4.901 -7.121 4.489 108 H GLY 43 H GLY 43 5.676 -5.794 7.548 109 H GLU 44 H GLU 44 10.248 -5.363 7.120 110 HA GLU 44 HA GLU 44 10.384 -2.960 8.640 111 H SER 45 H SER 45 11.356 -0.928 7.585 112 HA SER 45 HA SER 45 10.329 -0.402 4.907 113 HG SER 45 HG SER 45 9.046 0.201 8.210 114 H LYS 46 H LYS 46 12.956 -0.481 6.501 115 HA LYS 46 HA LYS 46 14.028 1.951 5.324 116 H SER 47 H SER 47 16.013 1.690 4.496 117 HA SER 47 HA SER 47 17.349 -0.885 4.962 118 HG SER 47 HG SER 47 16.248 -1.317 3.012 119 H TYR 48 H TYR 48 19.639 -0.915 5.298 120 HA TYR 48 HA TYR 48 20.719 1.649 6.241 121 HD1 TYR 48 HD1 TYR 48 19.056 1.869 7.943 122 HD2 TYR 48 HD2 TYR 48 19.944 -2.211 8.751 123 HE1 TYR 48 HE1 TYR 48 16.876 1.621 9.049 124 HE2 TYR 48 HE2 TYR 48 17.767 -2.471 9.859 125 HH TYR 48 HH TYR 48 15.270 -0.315 9.544 126 H CYS 49 H CYS 49 22.468 2.270 5.252 127 HA CYS 49 HA CYS 49 23.869 0.585 3.424 128 H GLU 50 H GLU 50 24.788 -1.082 4.506 129 HA GLU 50 HA GLU 50 26.797 -0.398 6.540 130 H LEU 51 H LEU 51 28.494 -2.285 6.636 131 HA LEU 51 HA LEU 51 29.737 -2.325 3.997 132 HG LEU 51 HG LEU 51 30.336 -4.245 6.956 133 H GLY 52 H GLY 52 30.733 -4.280 3.175 134 H SER 53 H SER 53 31.654 -7.955 2.501 135 HA SER 53 HA SER 53 32.498 -8.821 5.182 136 HG SER 53 HG SER 53 32.525 -12.088 4.291 137 H THR 54 H THR 54 33.689 -7.904 1.984 138 HA THR 54 HA THR 54 36.430 -7.842 3.011 139 HB THR 54 HB THR 54 37.144 -7.682 0.722 140 HG1 THR 54 HG1 THR 54 35.856 -6.490 -0.447 141 H GLY 55 H GLY 55 35.208 -5.950 4.296 142 H SER 56 H SER 56 33.609 -4.817 2.306 143 HA SER 56 HA SER 56 33.603 -2.641 0.402 144 HG SER 56 HG SER 56 31.118 -4.204 -1.383 145 H MET 57 H MET 57 30.897 -2.520 -0.249 146 HA MET 57 HA MET 57 29.604 -1.482 2.168 147 H VAL 58 H VAL 58 27.684 -2.365 2.389 148 HA VAL 58 HA VAL 58 26.188 -3.162 -0.020 149 HB VAL 58 HB VAL 58 25.216 -4.978 1.551 150 H TRP 59 H TRP 59 23.822 -3.826 0.879 151 HA TRP 59 HA TRP 59 22.889 -1.606 2.574 152 HD1 TRP 59 HD1 TRP 59 23.437 -1.193 -1.555 153 HE1 TRP 59 HE1 TRP 59 23.816 1.325 -1.863 154 HE3 TRP 59 HE3 TRP 59 20.841 0.528 2.507 155 HZ2 TRP 59 HZ2 TRP 59 23.132 3.729 -0.545 156 HZ3 TRP 59 HZ3 TRP 59 20.764 2.951 2.911 157 HH2 TRP 59 HH2 TRP 59 21.879 4.508 1.418 158 H ASN 60 H ASN 60 21.697 -2.251 4.285 159 HA ASN 60 HA ASN 60 20.047 -4.633 4.086 160 HA PRO 61 HA PRO 61 18.401 -5.547 4.951 161 H GLU 62 H GLU 62 16.375 -5.679 3.170 162 HA GLU 62 HA GLU 62 17.156 -3.749 1.113 163 H ALA 63 H ALA 63 15.022 -4.663 -0.650 164 HA ALA 63 HA ALA 63 12.973 -2.857 0.157 165 HA PRO 64 HA PRO 64 10.862 -6.073 2.522 166 H ILE 65 H ILE 65 8.007 -5.659 2.849 167 HA ILE 65 HA ILE 65 7.150 -6.606 0.220 168 HB ILE 65 HB ILE 65 5.454 -6.718 2.671 169 H CYS 66 H CYS 66 4.883 -6.055 -0.430 170 HA CYS 66 HA CYS 66 3.663 -3.688 0.578 171 H GLU 67 H GLU 67 1.557 -3.956 0.260 172 HA GLU 67 HA GLU 67 0.642 -5.257 -2.204 173 H SER 68 H SER 68 -1.897 -5.134 -2.216 174 HA SER 68 HA SER 68 -2.539 -2.314 -1.837 175 HG SER 68 HG SER 68 -4.746 -4.911 -4.014 176 H VAL 69 H VAL 69 -3.699 -1.633 -0.197 177 HA VAL 69 HA VAL 69 -4.630 -3.076 1.917 178 HB VAL 69 HB VAL 69 -6.221 -1.161 2.331 179 H LYS 70 H LYS 70 -5.801 -4.895 1.557 180 HA LYS 70 HA LYS 70 -7.975 -5.051 -0.270 181 H CYS 71 H CYS 71 -9.883 -4.099 -0.014 182 HA CYS 71 HA CYS 71 -10.878 -3.558 2.688 183 H GLN 72 H GLN 72 -12.321 -4.864 3.559 184 HA GLN 72 HA GLN 72 -13.466 -7.007 2.079 185 H SER 73 H SER 73 -16.050 -7.121 3.308 186 HA SER 73 HA SER 73 -17.655 -6.034 1.385 187 HG SER 73 HG SER 73 -19.892 -5.386 2.608 188 HA PRO 74 HA PRO 74 -17.639 -1.646 2.034 189 HA PRO 75 HA PRO 75 -19.539 -0.435 5.807 190 H SER 76 H SER 76 -21.504 -0.489 6.977 191 HA SER 76 HA SER 76 -23.673 -1.881 5.559 192 HG SER 76 HG SER 76 -21.961 -3.841 7.499 193 H ILE 77 H ILE 77 -24.789 -0.057 4.876 194 HA ILE 77 HA ILE 77 -25.446 2.112 6.573 195 HB ILE 77 HB ILE 77 -26.968 2.840 4.844 196 H SER 78 H SER 78 -28.000 2.682 6.536 197 HA SER 78 HA SER 78 -29.230 0.532 8.107 198 HG SER 78 HG SER 78 -30.120 4.488 8.393 199 H ASN 79 H ASN 79 -31.338 -0.155 7.720 200 HA ASN 79 HA ASN 79 -33.062 -0.829 6.398 201 H GLY 80 H GLY 80 -30.352 -1.066 5.314 202 H ARG 81 H ARG 81 -28.733 -1.985 1.367 203 HA ARG 81 HA ARG 81 -26.535 -2.749 3.019 204 HE ARG 81 HE ARG 81 -29.282 -7.780 0.554 205 1HH1 ARG 81 1HH1 ARG 81 -26.654 -6.945 2.697 206 1HH2 ARG 81 1HH2 ARG 81 -27.803 -9.189 -0.446 207 H HIS 82 H HIS 82 -24.996 -4.192 1.470 208 HA HIS 82 HA HIS 82 -24.707 -2.555 -0.939 209 HD1 HIS 82 HD1 HIS 82 -22.872 -3.222 2.743 210 HD2 HIS 82 HD2 HIS 82 -22.099 -6.282 0.040 211 HE1 HIS 82 HE1 HIS 82 -22.197 -5.199 4.142 212 HE2 HIS 82 HE2 HIS 82 -21.734 -7.041 2.486 213 H ASN 83 H ASN 83 -23.536 -3.796 -2.788 214 HA ASN 83 HA ASN 83 -25.103 -6.233 -3.283 215 H GLY 84 H GLY 84 -22.091 -5.232 -4.830 216 H TYR 85 H TYR 85 -19.123 -8.156 -5.790 217 HA TYR 85 HA TYR 85 -20.925 -10.465 -6.036 218 HD1 TYR 85 HD1 TYR 85 -19.998 -7.335 -7.577 219 HD2 TYR 85 HD2 TYR 85 -21.526 -10.798 -9.506 220 HE1 TYR 85 HE1 TYR 85 -21.598 -5.931 -8.807 221 HE2 TYR 85 HE2 TYR 85 -23.134 -9.408 -10.746 222 HH TYR 85 HH TYR 85 -23.005 -6.595 -11.409 223 H GLU 86 H GLU 86 -17.711 -9.384 -5.265 224 HA GLU 86 HA GLU 86 -16.834 -12.101 -4.653 225 H ASP 87 H ASP 87 -15.098 -11.762 -2.618 226 HA ASP 87 HA ASP 87 -16.864 -10.986 -0.406 227 H PHE 88 H PHE 88 -13.940 -10.141 -1.982 228 HA PHE 88 HA PHE 88 -13.394 -8.176 0.133 229 HD1 PHE 88 HD1 PHE 88 -12.631 -11.344 1.037 230 HD2 PHE 88 HD2 PHE 88 -10.204 -7.863 1.296 231 HE1 PHE 88 HE1 PHE 88 -12.256 -11.789 3.426 232 HE2 PHE 88 HE2 PHE 88 -9.824 -8.298 3.681 233 HZ PHE 88 HZ PHE 88 -10.850 -10.265 4.756 234 H TYR 89 H TYR 89 -11.681 -6.531 -0.749 235 HA TYR 89 HA TYR 89 -11.937 -6.017 -3.593 236 HD1 TYR 89 HD1 TYR 89 -14.587 -5.777 -0.705 237 HD2 TYR 89 HD2 TYR 89 -14.528 -4.551 -4.779 238 HE1 TYR 89 HE1 TYR 89 -16.828 -6.733 -1.019 239 HE2 TYR 89 HE2 TYR 89 -16.770 -5.507 -5.103 240 HH TYR 89 HH TYR 89 -18.659 -6.708 -2.424 241 H THR 90 H THR 90 -10.662 -4.057 -4.240 242 HA THR 90 HA THR 90 -8.421 -3.598 -2.386 243 HB THR 90 HB THR 90 -6.999 -3.475 -4.523 244 HG1 THR 90 HG1 THR 90 -8.961 -3.550 -5.876 245 H ASP 91 H ASP 91 -7.019 -1.705 -3.250 246 HA ASP 91 HA ASP 91 -8.564 0.625 -3.169 247 H GLY 92 H GLY 92 -10.077 0.756 -4.698 248 H SER 93 H SER 93 -11.699 -0.060 -5.310 249 HA SER 93 HA SER 93 -13.034 -1.392 -7.570 250 HG SER 93 HG SER 93 -11.318 -3.321 -6.071 251 H VAL 94 H VAL 94 -15.387 -1.578 -7.447 252 HA VAL 94 HA VAL 94 -16.628 0.529 -5.821 253 HB VAL 94 HB VAL 94 -17.112 0.025 -8.759 254 H VAL 95 H VAL 95 -18.805 0.216 -5.270 255 HA VAL 95 HA VAL 95 -20.054 -2.338 -5.950 256 HB VAL 95 HB VAL 95 -19.798 -1.434 -3.085 257 H THR 96 H THR 96 -22.306 -2.334 -5.743 258 HA THR 96 HA THR 96 -23.462 0.350 -5.495 259 HB THR 96 HB THR 96 -25.437 -1.254 -6.561 260 HG1 THR 96 HG1 THR 96 -24.291 -2.350 -8.269 261 H TYR 97 H TYR 97 -24.963 0.820 -4.009 262 HA TYR 97 HA TYR 97 -25.547 -1.234 -2.026 263 HD1 TYR 97 HD1 TYR 97 -23.134 0.208 -2.060 264 HD2 TYR 97 HD2 TYR 97 -25.735 1.016 1.208 265 HE1 TYR 97 HE1 TYR 97 -21.262 -0.097 -0.504 266 HE2 TYR 97 HE2 TYR 97 -23.861 0.715 2.773 267 HH TYR 97 HH TYR 97 -21.021 0.969 2.324 268 H SER 98 H SER 98 -27.692 -1.440 -1.122 269 HA SER 98 HA SER 98 -29.919 -0.462 -2.698 270 HG SER 98 HG SER 98 -28.439 -3.815 -2.282 271 H CYS 99 H CYS 99 -31.798 -0.371 -1.575 272 HA CYS 99 HA CYS 99 -31.684 -0.662 1.250 273 H ASN 100 H ASN 100 -33.277 -1.889 2.539 274 HA ASN 100 HA ASN 100 -33.422 -4.622 1.556 275 H SER 101 H SER 101 -35.708 -2.925 3.685 276 HA SER 101 HA SER 101 -37.941 -4.364 2.865 277 HG SER 101 HG SER 101 -38.383 -2.849 5.954 278 H GLY 102 H GLY 102 -36.397 -1.610 1.428 279 H TYR 103 H TYR 103 -35.957 0.242 1.089 280 HA TYR 103 HA TYR 103 -37.324 2.733 0.962 281 HD1 TYR 103 HD1 TYR 103 -35.844 0.474 3.620 282 HD2 TYR 103 HD2 TYR 103 -36.551 4.656 3.266 283 HE1 TYR 103 HE1 TYR 103 -36.969 0.463 5.807 284 HE2 TYR 103 HE2 TYR 103 -37.677 4.656 5.453 285 HH TYR 103 HH TYR 103 -38.914 2.891 6.887 286 H SER 104 H SER 104 -35.531 4.640 0.362 287 HA SER 104 HA SER 104 -34.963 4.150 -2.476 288 HG SER 104 HG SER 104 -35.536 6.141 -3.886 289 H LEU 105 H LEU 105 -32.913 3.743 -2.769 290 HA LEU 105 HA LEU 105 -30.763 4.162 -1.145 291 HG LEU 105 HG LEU 105 -29.057 2.267 -3.664 292 H ILE 106 H ILE 106 -30.047 5.961 -0.261 293 HA ILE 106 HA ILE 106 -30.469 8.520 -1.558 294 HB ILE 106 HB ILE 106 -29.318 7.839 1.145 295 H GLY 107 H GLY 107 -28.731 10.065 -1.790 296 H ASN 108 H ASN 108 -24.854 8.027 -2.687 297 HA ASN 108 HA ASN 108 -25.791 7.279 -5.373 298 H SER 109 H SER 109 -25.974 5.163 -5.730 299 HA SER 109 HA SER 109 -25.694 3.302 -3.628 300 HG SER 109 HG SER 109 -26.269 1.848 -7.346 301 H GLY 110 H GLY 110 -23.613 4.375 -6.184 302 H VAL 111 H VAL 111 -20.088 1.904 -4.718 303 HA VAL 111 HA VAL 111 -19.223 4.118 -2.973 304 HB VAL 111 HB VAL 111 -19.091 1.242 -2.163 305 H LEU 112 H LEU 112 -17.055 4.512 -2.931 306 HA LEU 112 HA LEU 112 -15.437 2.917 -4.745 307 HG LEU 112 HG LEU 112 -12.783 4.312 -3.534 308 H CYS 113 H CYS 113 -14.076 1.402 -4.156 309 HA CYS 113 HA CYS 113 -13.430 1.032 -1.335 310 H SER 114 H SER 114 -11.837 2.436 -0.794 311 HA SER 114 HA SER 114 -9.268 2.115 -2.124 312 HG SER 114 HG SER 114 -9.705 4.589 -4.215 313 H GLY 115 H GLY 115 -7.522 3.308 -0.961 314 H GLY 116 H GLY 116 -8.130 1.085 0.763 315 H GLU 117 H GLU 117 -10.226 1.889 1.981 316 HA GLU 117 HA GLU 117 -12.293 0.802 3.730 317 H TRP 118 H TRP 118 -14.339 2.386 3.355 318 HA TRP 118 HA TRP 118 -14.615 2.579 0.437 319 HD1 TRP 118 HD1 TRP 118 -15.271 -0.301 3.198 320 HE1 TRP 118 HE1 TRP 118 -14.999 -2.542 1.968 321 HE3 TRP 118 HE3 TRP 118 -16.878 1.114 -1.442 322 HZ2 TRP 118 HZ2 TRP 118 -15.412 -3.575 -0.617 323 HZ3 TRP 118 HZ3 TRP 118 -16.911 -0.565 -3.240 324 HH2 TRP 118 HH2 TRP 118 -16.189 -2.866 -2.833 325 H SER 119 H SER 119 -15.796 4.304 -0.446 326 HA SER 119 HA SER 119 -16.325 6.538 1.392 327 HG SER 119 HG SER 119 -14.063 6.338 -1.786 328 H ASP 120 H ASP 120 -17.603 8.293 0.300 329 HA ASP 120 HA ASP 120 -19.666 8.903 -0.422 330 HA PRO 121 HA PRO 121 -21.634 4.662 0.160 331 HA PRO 122 HA PRO 122 -25.457 6.952 0.210 332 H THR 123 H THR 123 -27.866 6.259 0.720 333 HA THR 123 HA THR 123 -27.984 4.949 3.347 334 HB THR 123 HB THR 123 -29.827 7.202 3.113 335 HG1 THR 123 HG1 THR 123 -28.119 8.749 3.504 336 H CYS 124 H CYS 124 -30.729 5.470 3.769 337 HA CYS 124 HA CYS 124 -32.151 4.554 1.428 338 H GLN 125 H GLN 125 -33.355 6.413 1.645 339 HA GLN 125 HA GLN 125 -35.134 6.498 3.987 340 H ILE 126 H ILE 126 -37.264 7.394 3.565 341 HA ILE 126 HA ILE 126 -38.365 6.283 1.135 342 HB ILE 126 HB ILE 126 -39.737 7.640 3.456 No H/Q in entry = 342 Start of MODEL 46 1 H ARG 7 H ARG 7 33.041 2.380 -4.020 2 HA ARG 7 HA ARG 7 32.594 5.190 -3.263 3 HE ARG 7 HE ARG 7 35.079 4.975 -8.142 4 1HH1 ARG 7 1HH1 ARG 7 35.227 7.586 -5.844 5 1HH2 ARG 7 1HH2 ARG 7 37.356 5.107 -8.199 6 H ARG 8 H ARG 8 30.741 5.524 -2.238 7 HA ARG 8 HA ARG 8 28.633 5.308 -1.467 8 HE ARG 8 HE ARG 8 27.104 8.889 -3.507 9 1HH1 ARG 8 1HH1 ARG 8 29.500 8.253 -5.951 10 1HH2 ARG 8 1HH2 ARG 8 28.124 10.915 -3.260 11 H CYS 9 H CYS 9 26.675 3.829 -1.310 12 HA CYS 9 HA CYS 9 27.585 1.235 -0.552 13 HA PRO 10 HA PRO 10 26.710 -1.129 -4.151 14 H SER 11 H SER 11 24.919 -2.094 -5.453 15 HA SER 11 HA SER 11 22.835 -0.323 -5.739 16 HG SER 11 HG SER 11 21.509 -3.634 -7.103 17 HA PRO 12 HA PRO 12 20.478 -1.255 -1.994 18 H ARG 13 H ARG 13 18.376 -2.259 -1.574 19 HA ARG 13 HA ARG 13 17.864 -4.494 -3.266 20 HE ARG 13 HE ARG 13 19.814 -6.270 -1.018 21 1HH1 ARG 13 1HH1 ARG 13 16.908 -8.144 -1.433 22 1HH2 ARG 13 1HH2 ARG 13 20.830 -7.856 -2.303 23 H ASP 14 H ASP 14 15.423 -4.892 -3.887 24 HA ASP 14 HA ASP 14 14.456 -2.459 -5.225 25 H ILE 15 H ILE 15 13.638 -4.931 -3.160 26 HA ILE 15 HA ILE 15 11.750 -5.848 -2.332 27 HB ILE 15 HB ILE 15 11.328 -3.540 -1.657 28 H ASP 16 H ASP 16 9.673 -6.794 -2.759 29 HA ASP 16 HA ASP 16 9.254 -7.234 -5.630 30 H ASN 17 H ASN 17 7.038 -7.453 -6.364 31 HA ASN 17 HA ASN 17 5.054 -6.355 -6.749 32 H GLY 18 H GLY 18 7.217 -4.621 -5.745 33 H GLN 19 H GLN 19 7.555 -0.582 -4.275 34 HA GLN 19 HA GLN 19 9.404 -0.588 -6.553 35 H LEU 20 H LEU 20 10.917 1.436 -6.327 36 HA LEU 20 HA LEU 20 11.645 1.750 -3.491 37 HG LEU 20 HG LEU 20 14.376 -0.553 -4.890 38 H ASP 21 H ASP 21 12.618 3.725 -2.916 39 HA ASP 21 HA ASP 21 12.429 5.870 -4.925 40 H ILE 22 H ILE 22 14.734 5.038 -5.012 41 HA ILE 22 HA ILE 22 16.439 5.723 -2.808 42 HB ILE 22 HB ILE 22 17.619 5.143 -5.464 43 H GLY 23 H GLY 23 16.640 7.835 -2.407 44 H GLY 24 H GLY 24 19.021 7.580 -3.001 45 H VAL 25 H VAL 25 23.319 7.604 -2.733 46 HA VAL 25 HA VAL 25 22.684 5.088 -1.382 47 HB VAL 25 HB VAL 25 23.933 3.753 -2.994 48 H ASP 26 H ASP 26 24.066 7.470 -0.538 49 HA ASP 26 HA ASP 26 26.847 6.538 -0.370 50 H PHE 27 H PHE 27 27.953 6.663 1.674 51 HA PHE 27 HA PHE 27 26.657 5.358 3.748 52 HD1 PHE 27 HD1 PHE 27 26.770 5.510 5.959 53 HD2 PHE 27 HD2 PHE 27 30.857 4.965 4.905 54 HE1 PHE 27 HE1 PHE 27 27.092 4.104 7.951 55 HE2 PHE 27 HE2 PHE 27 31.184 3.556 6.895 56 HZ PHE 27 HZ PHE 27 29.303 3.125 8.420 57 H GLY 28 H GLY 28 24.719 6.343 4.303 58 H SER 29 H SER 29 23.564 7.484 3.057 59 HA SER 29 HA SER 29 21.319 9.275 2.969 60 HG SER 29 HG SER 29 22.507 9.847 0.754 61 H SER 30 H SER 30 19.233 8.102 1.938 62 HA SER 30 HA SER 30 18.604 5.605 3.231 63 HG SER 30 HG SER 30 17.353 8.842 3.317 64 H ILE 31 H ILE 31 16.928 4.559 2.288 65 HA ILE 31 HA ILE 31 15.844 5.829 -0.124 66 HB ILE 31 HB ILE 31 15.409 2.933 0.343 67 H THR 32 H THR 32 13.595 5.123 -0.730 68 HA THR 32 HA THR 32 11.901 4.820 1.649 69 HB THR 32 HB THR 32 10.492 6.315 -0.335 70 HG1 THR 32 HG1 THR 32 13.020 7.374 0.387 71 H TYR 33 H TYR 33 11.162 2.802 1.418 72 HA TYR 33 HA TYR 33 10.664 1.665 -1.173 73 HD1 TYR 33 HD1 TYR 33 12.972 1.514 0.916 74 HD2 TYR 33 HD2 TYR 33 10.985 -1.948 -0.527 75 HE1 TYR 33 HE1 TYR 33 15.142 0.530 0.308 76 HE2 TYR 33 HE2 TYR 33 13.146 -2.952 -1.130 77 HH TYR 33 HH TYR 33 15.812 -1.426 -1.593 78 H SER 34 H SER 34 8.669 0.681 -1.819 79 HA SER 34 HA SER 34 6.217 1.432 -0.543 80 HG SER 34 HG SER 34 4.837 3.840 -2.623 81 H CYS 35 H CYS 35 4.329 0.943 -2.176 82 HA CYS 35 HA CYS 35 4.944 -1.683 -3.302 83 H ASN 36 H ASN 36 3.444 -2.248 -5.244 84 HA ASN 36 HA ASN 36 4.192 -0.505 -7.371 85 H SER 37 H SER 37 0.934 -1.832 -7.079 86 HA SER 37 HA SER 37 -0.241 0.814 -6.930 87 HG SER 37 HG SER 37 -2.586 0.362 -8.672 88 H GLY 38 H GLY 38 -2.221 0.806 -5.987 89 H TYR 39 H TYR 39 -1.193 -0.779 -4.090 90 HA TYR 39 HA TYR 39 -1.744 -3.259 -2.597 91 HD1 TYR 39 HD1 TYR 39 -1.727 -3.805 -4.987 92 HD2 TYR 39 HD2 TYR 39 1.942 -5.089 -3.259 93 HE1 TYR 39 HE1 TYR 39 -1.956 -5.957 -6.132 94 HE2 TYR 39 HE2 TYR 39 1.722 -7.256 -4.402 95 HH TYR 39 HH TYR 39 -0.252 -7.811 -6.932 96 H HIS 40 H HIS 40 -0.280 -3.396 -0.565 97 HA HIS 40 HA HIS 40 0.045 -0.776 0.689 98 HD1 HIS 40 HD1 HIS 40 -1.777 -2.964 4.413 99 HD2 HIS 40 HD2 HIS 40 -1.179 -4.776 0.727 100 HE1 HIS 40 HE1 HIS 40 -1.926 -5.436 4.849 101 HE2 HIS 40 HE2 HIS 40 -1.560 -6.515 2.601 102 H LEU 41 H LEU 41 2.033 -0.640 1.403 103 HA LEU 41 HA LEU 41 3.650 -2.997 1.772 104 HG LEU 41 HG LEU 41 5.989 -2.322 2.674 105 H ILE 42 H ILE 42 4.005 -4.000 3.635 106 HA ILE 42 HA ILE 42 3.069 -2.698 6.090 107 HB ILE 42 HB ILE 42 3.835 -5.576 6.078 108 H GLY 43 H GLY 43 4.292 -2.831 8.014 109 H GLU 44 H GLU 44 8.891 -2.550 7.905 110 HA GLU 44 HA GLU 44 8.983 0.280 8.079 111 H SER 45 H SER 45 10.476 1.236 6.114 112 HA SER 45 HA SER 45 9.803 0.527 3.474 113 HG SER 45 HG SER 45 6.929 1.953 2.596 114 H LYS 46 H LYS 46 12.063 1.342 5.109 115 HA LYS 46 HA LYS 46 13.140 3.300 3.295 116 H SER 47 H SER 47 15.068 2.593 2.787 117 HA SER 47 HA SER 47 16.540 0.823 4.581 118 HG SER 47 HG SER 47 17.471 -0.687 3.521 119 H TYR 48 H TYR 48 18.530 1.357 5.505 120 HA TYR 48 HA TYR 48 19.397 4.130 4.925 121 HD1 TYR 48 HD1 TYR 48 17.397 5.026 6.178 122 HD2 TYR 48 HD2 TYR 48 18.537 2.082 9.022 123 HE1 TYR 48 HE1 TYR 48 15.106 5.009 7.067 124 HE2 TYR 48 HE2 TYR 48 16.249 2.044 9.918 125 HH TYR 48 HH TYR 48 13.690 2.990 8.470 126 H CYS 49 H CYS 49 21.203 4.308 3.920 127 HA CYS 49 HA CYS 49 22.941 2.133 3.412 128 H GLU 50 H GLU 50 24.346 1.291 4.779 129 HA GLU 50 HA GLU 50 26.068 3.053 6.322 130 H LEU 51 H LEU 51 27.610 1.575 7.692 131 HA LEU 51 HA LEU 51 29.122 0.096 5.848 132 HG LEU 51 HG LEU 51 30.717 1.632 6.597 133 H GLY 52 H GLY 52 29.925 -2.145 6.282 134 H SER 53 H SER 53 30.798 -5.090 6.254 135 HA SER 53 HA SER 53 31.370 -5.569 9.085 136 HG SER 53 HG SER 53 29.950 -7.358 9.483 137 H THR 54 H THR 54 32.544 -5.985 5.753 138 HA THR 54 HA THR 54 35.259 -5.381 6.725 139 HB THR 54 HB THR 54 36.093 -6.564 4.740 140 HG1 THR 54 HG1 THR 54 34.183 -6.136 3.452 141 H GLY 55 H GLY 55 33.139 -3.459 6.002 142 H SER 56 H SER 56 31.822 -3.625 3.860 143 HA SER 56 HA SER 56 32.113 -3.190 1.004 144 HG SER 56 HG SER 56 31.511 -6.480 0.592 145 H MET 57 H MET 57 30.470 -1.826 3.381 146 HA MET 57 HA MET 57 28.654 -0.507 3.597 147 H VAL 58 H VAL 58 26.713 -1.119 4.166 148 HA VAL 58 HA VAL 58 25.205 -2.922 2.397 149 HB VAL 58 HB VAL 58 24.214 -3.984 4.342 150 H TRP 59 H TRP 59 22.784 -2.938 3.557 151 HA TRP 59 HA TRP 59 22.011 -0.116 3.818 152 HD1 TRP 59 HD1 TRP 59 22.964 -1.690 0.322 153 HE1 TRP 59 HE1 TRP 59 23.489 0.312 -1.206 154 HE3 TRP 59 HE3 TRP 59 19.693 1.706 2.292 155 HZ2 TRP 59 HZ2 TRP 59 22.625 2.985 -1.526 156 HZ3 TRP 59 HZ3 TRP 59 19.602 3.966 1.312 157 HH2 TRP 59 HH2 TRP 59 21.034 4.581 -0.545 158 H ASN 60 H ASN 60 20.692 0.297 5.462 159 HA ASN 60 HA ASN 60 19.837 -1.764 7.244 160 HA PRO 61 HA PRO 61 15.680 -3.191 6.590 161 H GLU 62 H GLU 62 16.062 -3.228 4.342 162 HA GLU 62 HA GLU 62 15.393 -0.882 2.792 163 H ALA 63 H ALA 63 14.536 -4.290 2.225 164 HA ALA 63 HA ALA 63 12.050 -3.382 1.019 165 HA PRO 64 HA PRO 64 9.903 -4.943 4.704 166 H ILE 65 H ILE 65 7.032 -4.892 4.469 167 HA ILE 65 HA ILE 65 6.667 -7.140 2.656 168 HB ILE 65 HB ILE 65 4.442 -6.067 4.311 169 H CYS 66 H CYS 66 4.492 -7.203 1.477 170 HA CYS 66 HA CYS 66 3.260 -4.762 0.717 171 H GLU 67 H GLU 67 1.312 -5.134 -0.251 172 HA GLU 67 HA GLU 67 0.726 -7.623 -1.567 173 H SER 68 H SER 68 -1.693 -7.752 -2.076 174 HA SER 68 HA SER 68 -2.477 -5.201 -3.152 175 HG SER 68 HG SER 68 -3.768 -8.864 -3.319 176 H VAL 69 H VAL 69 -3.677 -3.787 -2.188 177 HA VAL 69 HA VAL 69 -4.701 -3.880 0.318 178 HB VAL 69 HB VAL 69 -6.278 -2.094 -0.373 179 H LYS 70 H LYS 70 -5.992 -5.408 1.095 180 HA LYS 70 HA LYS 70 -8.340 -6.166 -0.470 181 H CYS 71 H CYS 71 -10.214 -5.361 -0.005 182 HA CYS 71 HA CYS 71 -10.606 -4.034 2.589 183 H GLN 72 H GLN 72 -12.095 -4.772 3.935 184 HA GLN 72 HA GLN 72 -13.523 -7.160 3.353 185 H SER 73 H SER 73 -16.005 -6.483 4.716 186 HA SER 73 HA SER 73 -17.625 -5.909 2.548 187 HG SER 73 HG SER 73 -19.770 -5.772 3.136 188 HA PRO 74 HA PRO 74 -17.149 -1.546 1.916 189 HA PRO 75 HA PRO 75 -18.398 0.871 5.368 190 H SER 76 H SER 76 -20.168 1.300 6.717 191 HA SER 76 HA SER 76 -22.659 -0.037 5.901 192 HG SER 76 HG SER 76 -22.216 -2.079 8.461 193 H ILE 77 H ILE 77 -23.621 1.766 4.953 194 HA ILE 77 HA ILE 77 -23.793 4.295 6.225 195 HB ILE 77 HB ILE 77 -25.462 4.861 4.547 196 H SER 78 H SER 78 -26.038 5.299 6.613 197 HA SER 78 HA SER 78 -27.351 3.635 8.605 198 HG SER 78 HG SER 78 -26.463 7.242 9.185 199 H ASN 79 H ASN 79 -29.297 2.752 8.404 200 HA ASN 79 HA ASN 79 -31.307 2.136 7.550 201 H GLY 80 H GLY 80 -28.728 1.540 6.239 202 H ARG 81 H ARG 81 -27.996 -0.625 2.475 203 HA ARG 81 HA ARG 81 -25.871 -1.716 4.129 204 HE ARG 81 HE ARG 81 -30.284 -4.710 4.412 205 1HH1 ARG 81 1HH1 ARG 81 -28.479 -6.697 6.631 206 1HH2 ARG 81 1HH2 ARG 81 -31.887 -6.332 4.514 207 H HIS 82 H HIS 82 -25.088 -3.759 2.561 208 HA HIS 82 HA HIS 82 -24.658 -2.574 -0.089 209 HD1 HIS 82 HD1 HIS 82 -22.294 -1.936 3.410 210 HD2 HIS 82 HD2 HIS 82 -22.213 -5.822 1.939 211 HE1 HIS 82 HE1 HIS 82 -21.564 -3.372 5.341 212 HE2 HIS 82 HE2 HIS 82 -21.522 -5.719 4.429 213 H ASN 83 H ASN 83 -23.980 -4.060 -1.748 214 HA ASN 83 HA ASN 83 -25.184 -6.696 -1.348 215 H GLY 84 H GLY 84 -23.509 -7.507 -3.893 216 H TYR 85 H TYR 85 -21.707 -8.622 -0.792 217 HA TYR 85 HA TYR 85 -22.031 -10.247 0.680 218 HD1 TYR 85 HD1 TYR 85 -23.824 -8.857 -0.216 219 HD2 TYR 85 HD2 TYR 85 -25.271 -12.832 0.227 220 HE1 TYR 85 HE1 TYR 85 -25.871 -7.985 0.814 221 HE2 TYR 85 HE2 TYR 85 -27.331 -11.971 1.262 222 HH TYR 85 HH TYR 85 -28.042 -9.903 2.505 223 H GLU 86 H GLU 86 -19.594 -9.807 -0.798 224 HA GLU 86 HA GLU 86 -18.445 -12.436 -1.019 225 H ASP 87 H ASP 87 -15.934 -12.163 -0.044 226 HA ASP 87 HA ASP 87 -16.432 -11.749 2.816 227 H PHE 88 H PHE 88 -14.459 -10.789 0.141 228 HA PHE 88 HA PHE 88 -13.556 -8.476 1.599 229 HD1 PHE 88 HD1 PHE 88 -12.387 -11.855 2.761 230 HD2 PHE 88 HD2 PHE 88 -10.762 -7.923 2.860 231 HE1 PHE 88 HE1 PHE 88 -11.946 -12.101 5.168 232 HE2 PHE 88 HE2 PHE 88 -10.323 -8.162 5.261 233 HZ PHE 88 HZ PHE 88 -10.911 -10.252 6.425 234 H TYR 89 H TYR 89 -11.759 -7.401 -0.094 235 HA TYR 89 HA TYR 89 -12.575 -7.678 -2.841 236 HD1 TYR 89 HD1 TYR 89 -14.773 -6.418 0.208 237 HD2 TYR 89 HD2 TYR 89 -15.355 -6.476 -4.007 238 HE1 TYR 89 HE1 TYR 89 -17.072 -7.251 0.540 239 HE2 TYR 89 HE2 TYR 89 -17.652 -7.307 -3.681 240 HH TYR 89 HH TYR 89 -19.141 -7.424 -0.562 241 H THR 90 H THR 90 -11.362 -6.103 -4.254 242 HA THR 90 HA THR 90 -9.052 -4.908 -2.915 243 HB THR 90 HB THR 90 -7.600 -5.989 -4.748 244 HG1 THR 90 HG1 THR 90 -8.417 -7.939 -5.534 245 H ASP 91 H ASP 91 -7.517 -4.055 -4.820 246 HA ASP 91 HA ASP 91 -8.689 -1.797 -5.832 247 H GLY 92 H GLY 92 -10.572 -2.061 -6.859 248 H SER 93 H SER 93 -12.324 -2.912 -6.583 249 HA SER 93 HA SER 93 -14.309 -4.799 -7.673 250 HG SER 93 HG SER 93 -11.921 -4.621 -5.390 251 H VAL 94 H VAL 94 -16.497 -4.420 -7.360 252 HA VAL 94 HA VAL 94 -17.194 -1.765 -6.298 253 HB VAL 94 HB VAL 94 -18.318 -3.047 -8.793 254 H VAL 95 H VAL 95 -19.409 -1.545 -5.602 255 HA VAL 95 HA VAL 95 -20.940 -3.967 -5.157 256 HB VAL 95 HB VAL 95 -20.127 -2.314 -2.773 257 H THR 96 H THR 96 -23.102 -3.568 -4.654 258 HA THR 96 HA THR 96 -23.905 -0.765 -5.013 259 HB THR 96 HB THR 96 -26.174 -2.295 -5.419 260 HG1 THR 96 HG1 THR 96 -25.538 -3.964 -6.764 261 H TYR 97 H TYR 97 -24.892 0.253 -3.439 262 HA TYR 97 HA TYR 97 -25.433 -1.133 -0.970 263 HD1 TYR 97 HD1 TYR 97 -23.015 -0.139 -1.742 264 HD2 TYR 97 HD2 TYR 97 -24.861 2.017 1.427 265 HE1 TYR 97 HE1 TYR 97 -20.912 -0.209 -0.480 266 HE2 TYR 97 HE2 TYR 97 -22.751 1.963 2.696 267 HH TYR 97 HH TYR 97 -20.006 1.616 1.699 268 H SER 98 H SER 98 -27.439 -0.858 0.235 269 HA SER 98 HA SER 98 -29.782 -0.196 -1.371 270 HG SER 98 HG SER 98 -28.969 -2.734 0.879 271 H CYS 99 H CYS 99 -31.285 0.843 -0.219 272 HA CYS 99 HA CYS 99 -30.880 1.387 2.532 273 H ASN 100 H ASN 100 -32.153 0.817 4.330 274 HA ASN 100 HA ASN 100 -33.170 -1.886 4.171 275 H SER 101 H SER 101 -34.464 0.912 5.962 276 HA SER 101 HA SER 101 -37.069 -0.062 6.109 277 HG SER 101 HG SER 101 -38.150 2.582 7.734 278 H GLY 102 H GLY 102 -35.432 1.364 3.456 279 H TYR 103 H TYR 103 -34.917 3.073 2.685 280 HA TYR 103 HA TYR 103 -35.827 5.648 1.935 281 HD1 TYR 103 HD1 TYR 103 -34.679 7.808 3.509 282 HD2 TYR 103 HD2 TYR 103 -34.014 3.863 4.959 283 HE1 TYR 103 HE1 TYR 103 -35.409 8.514 5.747 284 HE2 TYR 103 HE2 TYR 103 -34.742 4.558 7.202 285 HH TYR 103 HH TYR 103 -35.177 7.844 8.057 286 H SER 104 H SER 104 -33.889 6.907 0.599 287 HA SER 104 HA SER 104 -33.884 5.570 -2.014 288 HG SER 104 HG SER 104 -35.993 7.117 -1.793 289 H LEU 105 H LEU 105 -31.982 4.684 -2.389 290 HA LEU 105 HA LEU 105 -29.557 5.137 -1.217 291 HG LEU 105 HG LEU 105 -28.580 2.309 -3.263 292 H ILE 106 H ILE 106 -28.606 7.061 -0.961 293 HA ILE 106 HA ILE 106 -28.696 9.043 -3.096 294 HB ILE 106 HB ILE 106 -27.672 9.232 -0.262 295 H GLY 107 H GLY 107 -26.776 10.080 -3.878 296 H ASN 108 H ASN 108 -26.452 7.861 -5.251 297 HA ASN 108 HA ASN 108 -26.510 5.911 -6.403 298 H SER 109 H SER 109 -26.428 3.840 -5.906 299 HA SER 109 HA SER 109 -25.375 3.012 -3.449 300 HG SER 109 HG SER 109 -26.673 0.021 -5.775 301 H GLY 110 H GLY 110 -24.072 2.990 -6.635 302 H VAL 111 H VAL 111 -20.348 0.593 -5.477 303 HA VAL 111 HA VAL 111 -18.919 2.899 -4.352 304 HB VAL 111 HB VAL 111 -18.989 0.350 -2.820 305 H LEU 112 H LEU 112 -16.849 2.922 -4.960 306 HA LEU 112 HA LEU 112 -15.762 0.571 -6.274 307 HG LEU 112 HG LEU 112 -13.126 2.749 -7.822 308 H CYS 113 H CYS 113 -14.267 -0.746 -5.471 309 HA CYS 113 HA CYS 113 -13.129 -0.126 -2.838 310 H SER 114 H SER 114 -11.233 0.982 -3.145 311 HA SER 114 HA SER 114 -9.139 -0.351 -4.639 312 HG SER 114 HG SER 114 -10.085 1.229 -7.504 313 H GLY 115 H GLY 115 -7.296 -0.229 -3.563 314 H GLY 116 H GLY 116 -7.929 -0.824 -1.345 315 H GLU 117 H GLU 117 -9.245 1.130 -0.270 316 HA GLU 117 HA GLU 117 -11.195 1.235 1.932 317 H TRP 118 H TRP 118 -13.126 2.612 1.283 318 HA TRP 118 HA TRP 118 -14.036 1.821 -1.403 319 HD1 TRP 118 HD1 TRP 118 -14.420 -0.045 2.274 320 HE1 TRP 118 HE1 TRP 118 -14.597 -2.557 1.740 321 HE3 TRP 118 HE3 TRP 118 -16.573 0.264 -2.344 322 HZ2 TRP 118 HZ2 TRP 118 -15.531 -4.190 -0.367 323 HZ3 TRP 118 HZ3 TRP 118 -17.083 -1.813 -3.554 324 HH2 TRP 118 HH2 TRP 118 -16.570 -3.998 -2.585 325 H SER 119 H SER 119 -14.522 3.457 -2.741 326 HA SER 119 HA SER 119 -14.816 6.133 -1.560 327 HG SER 119 HG SER 119 -12.269 5.284 -4.338 328 H ASP 120 H ASP 120 -16.376 7.550 -2.297 329 HA ASP 120 HA ASP 120 -18.377 8.248 -3.092 330 HA PRO 121 HA PRO 121 -20.459 4.591 -0.863 331 HA PRO 122 HA PRO 122 -24.012 7.241 -1.159 332 H THR 123 H THR 123 -26.331 7.164 -0.163 333 HA THR 123 HA THR 123 -26.197 6.795 2.744 334 HB THR 123 HB THR 123 -27.805 9.100 1.923 335 HG1 THR 123 HG1 THR 123 -25.863 10.412 1.671 336 H CYS 124 H CYS 124 -28.803 7.813 3.219 337 HA CYS 124 HA CYS 124 -30.583 6.406 1.435 338 H GLN 125 H GLN 125 -31.557 8.360 1.095 339 HA GLN 125 HA GLN 125 -33.044 9.447 3.388 340 H ILE 126 H ILE 126 -35.101 10.420 2.865 341 HA ILE 126 HA ILE 126 -36.480 8.880 0.809 342 HB ILE 126 HB ILE 126 -37.647 10.693 2.924 No H/Q in entry = 342 Start of MODEL 47 1 H ARG 7 H ARG 7 -34.527 2.838 3.330 2 HA ARG 7 HA ARG 7 -33.336 2.248 5.182 3 HE ARG 7 HE ARG 7 -36.713 1.171 4.259 4 1HH1 ARG 7 1HH1 ARG 7 -36.615 -1.320 6.691 5 1HH2 ARG 7 1HH2 ARG 7 -38.017 -0.268 3.063 6 H ARG 8 H ARG 8 -31.737 2.925 2.866 7 HA ARG 8 HA ARG 8 -29.638 2.752 1.996 8 HE ARG 8 HE ARG 8 -28.731 2.499 6.675 9 1HH1 ARG 8 1HH1 ARG 8 -27.713 5.668 7.700 10 1HH2 ARG 8 1HH2 ARG 8 -27.832 1.751 8.634 11 H CYS 9 H CYS 9 -27.413 1.391 2.573 12 HA CYS 9 HA CYS 9 -28.068 -1.289 1.657 13 HA PRO 10 HA PRO 10 -26.938 -3.165 5.526 14 H SER 11 H SER 11 -24.906 -4.633 6.485 15 HA SER 11 HA SER 11 -22.944 -2.783 7.118 16 HG SER 11 HG SER 11 -22.565 -6.399 6.533 17 HA PRO 12 HA PRO 12 -20.890 -2.794 3.078 18 H ARG 13 H ARG 13 -19.306 -4.053 2.288 19 HA ARG 13 HA ARG 13 -18.133 -6.055 3.811 20 HE ARG 13 HE ARG 13 -17.064 -10.050 0.893 21 1HH1 ARG 13 1HH1 ARG 13 -19.542 -7.922 2.095 22 1HH2 ARG 13 1HH2 ARG 13 -18.142 -11.698 2.045 23 H ASP 14 H ASP 14 -15.865 -6.442 4.253 24 HA ASP 14 HA ASP 14 -14.543 -3.979 5.083 25 H ILE 15 H ILE 15 -12.121 -4.741 5.753 26 HA ILE 15 HA ILE 15 -10.943 -6.242 3.531 27 HB ILE 15 HB ILE 15 -10.844 -3.893 2.855 28 H ASP 16 H ASP 16 -9.003 -7.257 4.031 29 HA ASP 16 HA ASP 16 -8.595 -7.772 6.815 30 H ASN 17 H ASN 17 -6.248 -6.765 4.327 31 HA ASN 17 HA ASN 17 -4.604 -5.577 6.417 32 H GLY 18 H GLY 18 -7.009 -4.242 6.038 33 H GLN 19 H GLN 19 -7.997 -0.011 5.349 34 HA GLN 19 HA GLN 19 -9.978 -0.777 7.361 35 H LEU 20 H LEU 20 -11.966 0.150 7.060 36 HA LEU 20 HA LEU 20 -12.397 1.445 4.522 37 HG LEU 20 HG LEU 20 -13.506 -1.224 6.417 38 H ASP 21 H ASP 21 -13.684 3.349 4.267 39 HA ASP 21 HA ASP 21 -13.678 5.205 6.542 40 H ILE 22 H ILE 22 -15.897 4.313 6.545 41 HA ILE 22 HA ILE 22 -17.634 4.805 4.348 42 HB ILE 22 HB ILE 22 -18.762 4.431 7.075 43 H GLY 23 H GLY 23 -18.076 6.804 3.732 44 H GLY 24 H GLY 24 -20.329 6.468 4.239 45 H VAL 25 H VAL 25 -24.482 5.772 4.698 46 HA VAL 25 HA VAL 25 -23.600 3.488 3.062 47 HB VAL 25 HB VAL 25 -24.822 1.995 4.533 48 H ASP 26 H ASP 26 -25.716 5.972 2.979 49 HA ASP 26 HA ASP 26 -28.152 4.646 2.339 50 H PHE 27 H PHE 27 -29.237 4.811 0.251 51 HA PHE 27 HA PHE 27 -27.896 3.521 -1.800 52 HD1 PHE 27 HD1 PHE 27 -27.955 3.869 -4.105 53 HD2 PHE 27 HD2 PHE 27 -32.042 3.188 -3.115 54 HE1 PHE 27 HE1 PHE 27 -28.248 2.615 -6.191 55 HE2 PHE 27 HE2 PHE 27 -32.335 1.923 -5.207 56 HZ PHE 27 HZ PHE 27 -30.435 1.642 -6.745 57 H GLY 28 H GLY 28 -25.991 4.374 -2.466 58 H SER 29 H SER 29 -24.990 5.671 -0.976 59 HA SER 29 HA SER 29 -22.874 7.594 -0.681 60 HG SER 29 HG SER 29 -25.256 7.132 0.533 61 H SER 30 H SER 30 -20.694 7.236 -0.683 62 HA SER 30 HA SER 30 -19.859 4.532 -1.485 63 HG SER 30 HG SER 30 -19.385 7.864 -3.310 64 H ILE 31 H ILE 31 -18.130 3.607 -0.557 65 HA ILE 31 HA ILE 31 -17.134 4.890 1.883 66 HB ILE 31 HB ILE 31 -16.343 2.100 1.298 67 H THR 32 H THR 32 -14.791 4.494 2.395 68 HA THR 32 HA THR 32 -13.177 4.508 -0.065 69 HB THR 32 HB THR 32 -11.941 6.026 2.064 70 HG1 THR 32 HG1 THR 32 -13.419 7.713 2.127 71 H TYR 33 H TYR 33 -12.041 2.709 -0.090 72 HA TYR 33 HA TYR 33 -11.278 1.381 2.361 73 HD1 TYR 33 HD1 TYR 33 -13.694 0.735 0.112 74 HD2 TYR 33 HD2 TYR 33 -10.841 -2.022 1.659 75 HE1 TYR 33 HE1 TYR 33 -15.512 -0.807 0.713 76 HE2 TYR 33 HE2 TYR 33 -12.658 -3.568 2.260 77 HH TYR 33 HH TYR 33 -15.839 -2.693 2.426 78 H SER 34 H SER 34 -9.241 1.080 3.149 79 HA SER 34 HA SER 34 -6.977 2.281 1.748 80 HG SER 34 HG SER 34 -6.648 2.964 5.461 81 H CYS 35 H CYS 35 -4.892 1.606 2.673 82 HA CYS 35 HA CYS 35 -5.053 -1.136 3.589 83 H ASN 36 H ASN 36 -3.458 -1.851 5.314 84 HA ASN 36 HA ASN 36 -4.129 -0.604 7.747 85 H SER 37 H SER 37 -0.750 -1.200 6.895 86 HA SER 37 HA SER 37 -0.048 1.585 6.962 87 HG SER 37 HG SER 37 -0.094 1.981 10.212 88 H GLY 38 H GLY 38 1.693 1.900 5.729 89 H TYR 39 H TYR 39 0.911 0.286 3.947 90 HA TYR 39 HA TYR 39 1.833 -1.830 2.114 91 HD1 TYR 39 HD1 TYR 39 2.150 -2.642 4.276 92 HD2 TYR 39 HD2 TYR 39 -1.494 -4.371 2.929 93 HE1 TYR 39 HE1 TYR 39 2.825 -4.800 5.242 94 HE2 TYR 39 HE2 TYR 39 -0.832 -6.534 3.891 95 HH TYR 39 HH TYR 39 1.536 -6.911 6.111 96 H HIS 40 H HIS 40 0.092 -2.008 0.227 97 HA HIS 40 HA HIS 40 -0.654 0.653 -0.711 98 HD1 HIS 40 HD1 HIS 40 1.070 -0.982 -4.781 99 HD2 HIS 40 HD2 HIS 40 1.040 -3.126 -1.224 100 HE1 HIS 40 HE1 HIS 40 1.512 -3.370 -5.432 101 HE2 HIS 40 HE2 HIS 40 1.490 -4.651 -3.263 102 H LEU 41 H LEU 41 -2.698 0.615 -1.273 103 HA LEU 41 HA LEU 41 -4.051 -1.895 -1.719 104 HG LEU 41 HG LEU 41 -6.557 -1.580 -2.065 105 H ILE 42 H ILE 42 -4.350 -2.779 -3.647 106 HA ILE 42 HA ILE 42 -3.871 -1.137 -6.023 107 HB ILE 42 HB ILE 42 -4.246 -4.080 -6.251 108 H GLY 43 H GLY 43 -5.188 -1.498 -7.932 109 H GLU 44 H GLU 44 -9.793 -1.838 -7.517 110 HA GLU 44 HA GLU 44 -10.372 0.908 -7.397 111 H SER 45 H SER 45 -11.654 1.551 -5.193 112 HA SER 45 HA SER 45 -10.464 0.827 -2.743 113 HG SER 45 HG SER 45 -7.839 2.472 -2.083 114 H LYS 46 H LYS 46 -13.076 1.398 -3.979 115 HA LYS 46 HA LYS 46 -14.180 2.927 -1.816 116 H SER 47 H SER 47 -15.982 1.888 -1.284 117 HA SER 47 HA SER 47 -17.335 0.163 -3.200 118 HG SER 47 HG SER 47 -19.120 -1.037 -2.009 119 H TYR 48 H TYR 48 -19.371 0.564 -4.067 120 HA TYR 48 HA TYR 48 -20.528 3.153 -3.213 121 HD1 TYR 48 HD1 TYR 48 -18.567 4.141 -4.454 122 HD2 TYR 48 HD2 TYR 48 -19.819 1.528 -7.563 123 HE1 TYR 48 HE1 TYR 48 -16.348 4.330 -5.498 124 HE2 TYR 48 HE2 TYR 48 -17.604 1.701 -8.616 125 HH TYR 48 HH TYR 48 -15.530 3.965 -8.171 126 H CYS 49 H CYS 49 -22.323 3.122 -2.173 127 HA CYS 49 HA CYS 49 -23.823 0.726 -1.794 128 H GLU 50 H GLU 50 -25.273 -0.061 -3.140 129 HA GLU 50 HA GLU 50 -27.269 1.647 -4.303 130 H LEU 51 H LEU 51 -28.775 0.335 -5.669 131 HA LEU 51 HA LEU 51 -29.577 -1.946 -4.102 132 HG LEU 51 HG LEU 51 -30.365 -1.195 -7.586 133 H GLY 52 H GLY 52 -30.101 -4.031 -4.985 134 H SER 53 H SER 53 -30.546 -6.873 -7.546 135 HA SER 53 HA SER 53 -31.007 -5.387 -10.049 136 HG SER 53 HG SER 53 -29.895 -7.396 -12.027 137 H THR 54 H THR 54 -32.404 -7.442 -7.569 138 HA THR 54 HA THR 54 -35.064 -7.135 -8.753 139 HB THR 54 HB THR 54 -35.773 -8.791 -7.064 140 HG1 THR 54 HG1 THR 54 -34.408 -8.455 -5.382 141 H GLY 55 H GLY 55 -33.673 -4.882 -7.544 142 H SER 56 H SER 56 -32.761 -5.441 -5.300 143 HA SER 56 HA SER 56 -33.215 -5.262 -2.435 144 HG SER 56 HG SER 56 -31.296 -8.085 -1.936 145 H MET 57 H MET 57 -30.747 -5.380 -1.346 146 HA MET 57 HA MET 57 -29.538 -2.812 -2.123 147 H VAL 58 H VAL 58 -27.365 -2.692 -2.374 148 HA VAL 58 HA VAL 58 -25.652 -4.881 -1.567 149 HB VAL 58 HB VAL 58 -24.716 -5.098 -3.910 150 H TRP 59 H TRP 59 -23.338 -4.439 -2.418 151 HA TRP 59 HA TRP 59 -22.828 -1.538 -2.385 152 HD1 TRP 59 HD1 TRP 59 -23.528 -3.474 1.032 153 HE1 TRP 59 HE1 TRP 59 -24.070 -1.645 2.747 154 HE3 TRP 59 HE3 TRP 59 -20.605 0.292 -0.840 155 HZ2 TRP 59 HZ2 TRP 59 -23.367 1.054 3.233 156 HZ3 TRP 59 HZ3 TRP 59 -20.606 2.467 0.312 157 HH2 TRP 59 HH2 TRP 59 -21.952 2.833 2.296 158 H ASN 60 H ASN 60 -21.540 -0.813 -3.957 159 HA ASN 60 HA ASN 60 -20.556 -2.593 -5.970 160 HA PRO 61 HA PRO 61 -16.262 -3.584 -5.587 161 H GLU 62 H GLU 62 -16.245 -3.670 -3.347 162 HA GLU 62 HA GLU 62 -15.683 -1.220 -1.880 163 H ALA 63 H ALA 63 -14.508 -4.498 -1.216 164 HA ALA 63 HA ALA 63 -11.995 -3.411 -0.327 165 HA PRO 64 HA PRO 64 -10.068 -4.445 -4.304 166 H ILE 65 H ILE 65 -7.208 -4.091 -4.336 167 HA ILE 65 HA ILE 65 -6.434 -6.400 -2.740 168 HB ILE 65 HB ILE 65 -4.574 -4.951 -4.565 169 H CYS 66 H CYS 66 -4.248 -6.326 -1.690 170 HA CYS 66 HA CYS 66 -3.149 -3.819 -0.907 171 H GLU 67 H GLU 67 -1.112 -4.059 -0.131 172 HA GLU 67 HA GLU 67 -0.220 -6.468 1.132 173 H SER 68 H SER 68 2.327 -6.388 1.229 174 HA SER 68 HA SER 68 2.959 -3.747 2.263 175 HG SER 68 HG SER 68 5.475 -6.861 2.914 176 H VAL 69 H VAL 69 3.778 -2.309 0.937 177 HA VAL 69 HA VAL 69 4.808 -2.644 -1.564 178 HB VAL 69 HB VAL 69 6.008 -0.467 -1.196 179 H LYS 70 H LYS 70 6.332 -4.093 -2.032 180 HA LYS 70 HA LYS 70 8.616 -4.498 -0.302 181 H CYS 71 H CYS 71 10.769 -4.179 -0.823 182 HA CYS 71 HA CYS 71 11.296 -2.344 -3.064 183 H GLN 72 H GLN 72 12.749 -2.940 -4.615 184 HA GLN 72 HA GLN 72 13.377 -5.695 -4.786 185 H SER 73 H SER 73 15.894 -5.910 -5.718 186 HA SER 73 HA SER 73 17.360 -5.921 -3.315 187 HG SER 73 HG SER 73 19.884 -6.124 -5.852 188 HA PRO 74 HA PRO 74 18.883 -1.574 -3.184 189 HA PRO 75 HA PRO 75 20.802 -0.294 -2.377 190 H SER 76 H SER 76 20.790 2.188 -3.124 191 HA SER 76 HA SER 76 19.279 2.541 -5.597 192 HG SER 76 HG SER 76 18.440 5.322 -3.506 193 H ILE 77 H ILE 77 22.080 2.932 -4.472 194 HA ILE 77 HA ILE 77 22.403 5.824 -4.770 195 HB ILE 77 HB ILE 77 24.465 5.606 -3.574 196 H SER 78 H SER 78 25.173 5.720 -5.363 197 HA SER 78 HA SER 78 25.288 4.387 -7.970 198 HG SER 78 HG SER 78 26.826 6.014 -9.667 199 H ASN 79 H ASN 79 27.374 3.719 -8.604 200 HA ASN 79 HA ASN 79 29.442 2.841 -8.227 201 H GLY 80 H GLY 80 27.285 2.097 -6.386 202 H ARG 81 H ARG 81 27.168 -0.143 -2.652 203 HA ARG 81 HA ARG 81 25.275 -1.664 -4.131 204 HE ARG 81 HE ARG 81 30.601 -3.838 -2.756 205 1HH1 ARG 81 1HH1 ARG 81 30.325 -5.565 -5.767 206 1HH2 ARG 81 1HH2 ARG 81 32.444 -5.123 -2.370 207 H HIS 82 H HIS 82 24.920 -3.866 -2.739 208 HA HIS 82 HA HIS 82 24.609 -2.956 0.045 209 HD1 HIS 82 HD1 HIS 82 23.234 -4.179 -3.648 210 HD2 HIS 82 HD2 HIS 82 21.774 -6.700 -0.685 211 HE1 HIS 82 HE1 HIS 82 22.522 -6.276 -4.839 212 HE2 HIS 82 HE2 HIS 82 21.641 -7.788 -3.027 213 H ASN 83 H ASN 83 24.013 -4.920 1.490 214 HA ASN 83 HA ASN 83 25.807 -7.171 0.853 215 H GLY 84 H GLY 84 22.695 -6.474 1.003 216 H TYR 85 H TYR 85 20.230 -10.115 2.458 217 HA TYR 85 HA TYR 85 22.002 -12.044 1.120 218 HD1 TYR 85 HD1 TYR 85 23.116 -10.880 3.142 219 HD2 TYR 85 HD2 TYR 85 20.070 -12.726 5.469 220 HE1 TYR 85 HE1 TYR 85 23.853 -9.604 5.109 221 HE2 TYR 85 HE2 TYR 85 20.799 -11.455 7.443 222 HH TYR 85 HH TYR 85 23.419 -10.257 7.996 223 H GLU 86 H GLU 86 18.785 -10.826 1.370 224 HA GLU 86 HA GLU 86 17.653 -13.046 -0.130 225 H ASP 87 H ASP 87 15.817 -11.958 -1.726 226 HA ASP 87 HA ASP 87 17.419 -10.465 -3.686 227 H PHE 88 H PHE 88 14.540 -10.422 -1.786 228 HA PHE 88 HA PHE 88 13.916 -7.763 -2.854 229 HD1 PHE 88 HD1 PHE 88 13.062 -10.371 -5.015 230 HD2 PHE 88 HD2 PHE 88 10.861 -6.947 -3.780 231 HE1 PHE 88 HE1 PHE 88 12.678 -9.775 -7.367 232 HE2 PHE 88 HE2 PHE 88 10.470 -6.346 -6.124 233 HZ PHE 88 HZ PHE 88 11.378 -7.757 -7.930 234 H TYR 89 H TYR 89 12.270 -6.649 -1.344 235 HA TYR 89 HA TYR 89 12.642 -7.404 1.452 236 HD1 TYR 89 HD1 TYR 89 14.897 -5.922 -1.272 237 HD2 TYR 89 HD2 TYR 89 15.330 -6.142 2.953 238 HE1 TYR 89 HE1 TYR 89 17.218 -6.671 -1.554 239 HE2 TYR 89 HE2 TYR 89 17.658 -6.901 2.678 240 HH TYR 89 HH TYR 89 19.438 -6.511 0.190 241 H THR 90 H THR 90 11.264 -6.202 2.925 242 HA THR 90 HA THR 90 8.845 -5.193 1.573 243 HB THR 90 HB THR 90 7.719 -6.021 3.772 244 HG1 THR 90 HG1 THR 90 8.793 -7.745 4.725 245 H ASP 91 H ASP 91 7.432 -3.903 3.171 246 HA ASP 91 HA ASP 91 8.798 -1.573 3.871 247 H GLY 92 H GLY 92 10.463 -1.885 5.220 248 H SER 93 H SER 93 12.270 -2.554 5.434 249 HA SER 93 HA SER 93 13.850 -4.559 6.907 250 HG SER 93 HG SER 93 12.144 -4.195 3.894 251 H VAL 94 H VAL 94 16.203 -4.482 6.593 252 HA VAL 94 HA VAL 94 17.256 -1.838 5.932 253 HB VAL 94 HB VAL 94 17.713 -3.224 8.572 254 H VAL 95 H VAL 95 19.414 -1.797 5.288 255 HA VAL 95 HA VAL 95 20.914 -4.295 5.230 256 HB VAL 95 HB VAL 95 20.457 -2.841 2.641 257 H THR 96 H THR 96 23.125 -4.014 4.983 258 HA THR 96 HA THR 96 24.068 -1.256 5.246 259 HB THR 96 HB THR 96 26.282 -2.892 5.502 260 HG1 THR 96 HG1 THR 96 25.632 -4.586 6.809 261 H TYR 97 H TYR 97 25.309 -0.270 3.723 262 HA TYR 97 HA TYR 97 25.566 -1.735 1.200 263 HD1 TYR 97 HD1 TYR 97 23.306 -1.123 2.240 264 HD2 TYR 97 HD2 TYR 97 24.030 1.620 -0.926 265 HE1 TYR 97 HE1 TYR 97 20.970 -1.307 1.570 266 HE2 TYR 97 HE2 TYR 97 21.689 1.426 -1.590 267 HH TYR 97 HH TYR 97 19.561 0.813 -0.747 268 H SER 98 H SER 98 27.359 -1.343 -0.182 269 HA SER 98 HA SER 98 29.816 -0.371 1.079 270 HG SER 98 HG SER 98 29.019 -3.048 2.081 271 H CYS 99 H CYS 99 31.325 0.463 -0.382 272 HA CYS 99 HA CYS 99 30.270 1.314 -2.865 273 H ASN 100 H ASN 100 30.908 0.838 -4.970 274 HA ASN 100 HA ASN 100 31.574 -1.902 -5.406 275 H SER 101 H SER 101 33.096 0.843 -7.093 276 HA SER 101 HA SER 101 35.446 -0.570 -7.666 277 HG SER 101 HG SER 101 36.370 1.724 -9.724 278 H GLY 102 H GLY 102 34.458 1.008 -4.790 279 H TYR 103 H TYR 103 34.270 2.692 -3.864 280 HA TYR 103 HA TYR 103 35.570 5.072 -3.064 281 HD1 TYR 103 HD1 TYR 103 34.523 7.451 -4.186 282 HD2 TYR 103 HD2 TYR 103 33.023 3.866 -5.920 283 HE1 TYR 103 HE1 TYR 103 34.966 8.357 -6.428 284 HE2 TYR 103 HE2 TYR 103 33.461 4.762 -8.167 285 HH TYR 103 HH TYR 103 34.675 6.397 -9.295 286 H SER 104 H SER 104 34.004 6.383 -1.350 287 HA SER 104 HA SER 104 34.133 4.794 1.121 288 HG SER 104 HG SER 104 36.414 5.923 1.443 289 H LEU 105 H LEU 105 32.150 4.170 1.640 290 HA LEU 105 HA LEU 105 29.780 5.183 0.688 291 HG LEU 105 HG LEU 105 27.952 4.167 1.202 292 H ILE 106 H ILE 106 28.705 6.930 0.985 293 HA ILE 106 HA ILE 106 29.427 8.746 3.160 294 HB ILE 106 HB ILE 106 27.777 9.185 0.671 295 H GLY 107 H GLY 107 27.634 9.910 4.262 296 H ASN 108 H ASN 108 23.920 7.374 4.923 297 HA ASN 108 HA ASN 108 25.219 5.656 6.924 298 H SER 109 H SER 109 25.605 3.572 6.546 299 HA SER 109 HA SER 109 25.264 2.504 3.885 300 HG SER 109 HG SER 109 28.109 2.192 5.948 301 H GLY 110 H GLY 110 23.832 2.294 7.054 302 H VAL 111 H VAL 111 20.522 0.097 5.095 303 HA VAL 111 HA VAL 111 19.237 2.651 4.393 304 HB VAL 111 HB VAL 111 19.580 0.217 2.674 305 H LEU 112 H LEU 112 17.105 2.806 4.763 306 HA LEU 112 HA LEU 112 15.721 0.505 5.825 307 HG LEU 112 HG LEU 112 12.870 2.042 5.351 308 H CYS 113 H CYS 113 14.210 -0.689 4.878 309 HA CYS 113 HA CYS 113 13.488 -0.077 2.102 310 H SER 114 H SER 114 11.836 1.342 2.181 311 HA SER 114 HA SER 114 9.354 0.448 3.411 312 HG SER 114 HG SER 114 11.124 3.768 4.888 313 H GLY 115 H GLY 115 7.536 2.016 2.834 314 H GLY 116 H GLY 116 8.023 0.461 0.464 315 H GLU 117 H GLU 117 10.148 1.436 -0.507 316 HA GLU 117 HA GLU 117 12.066 1.063 -2.630 317 H TRP 118 H TRP 118 14.118 2.490 -1.944 318 HA TRP 118 HA TRP 118 14.574 1.770 0.855 319 HD1 TRP 118 HD1 TRP 118 15.890 0.079 -2.764 320 HE1 TRP 118 HE1 TRP 118 15.936 -2.406 -2.209 321 HE3 TRP 118 HE3 TRP 118 16.660 0.362 2.296 322 HZ2 TRP 118 HZ2 TRP 118 16.320 -4.036 0.017 323 HZ3 TRP 118 HZ3 TRP 118 16.854 -1.753 3.553 324 HH2 TRP 118 HH2 TRP 118 16.682 -3.908 2.434 325 H SER 119 H SER 119 14.897 3.230 2.374 326 HA SER 119 HA SER 119 15.088 6.048 1.558 327 HG SER 119 HG SER 119 12.424 4.414 3.425 328 H ASP 120 H ASP 120 16.351 7.482 2.860 329 HA ASP 120 HA ASP 120 18.324 8.132 3.772 330 HA PRO 121 HA PRO 121 20.730 4.580 1.701 331 HA PRO 122 HA PRO 122 24.235 7.290 1.918 332 H THR 123 H THR 123 26.503 7.307 0.676 333 HA THR 123 HA THR 123 26.035 7.311 -2.214 334 HB THR 123 HB THR 123 27.770 9.502 -1.453 335 HG1 THR 123 HG1 THR 123 26.067 10.801 -0.573 336 H CYS 124 H CYS 124 28.301 7.703 -3.319 337 HA CYS 124 HA CYS 124 30.368 6.400 -1.706 338 H GLN 125 H GLN 125 31.644 8.142 -1.503 339 HA GLN 125 HA GLN 125 32.773 9.240 -3.983 340 H ILE 126 H ILE 126 34.894 10.267 -3.654 341 HA ILE 126 HA ILE 126 36.536 8.583 -1.946 342 HB ILE 126 HB ILE 126 37.359 10.650 -3.987 No H/Q in entry = 342 Start of MODEL 48 1 H ARG 7 H ARG 7 33.846 -3.109 0.821 2 HA ARG 7 HA ARG 7 32.919 -4.144 3.408 3 HE ARG 7 HE ARG 7 36.943 -1.166 4.311 4 1HH1 ARG 7 1HH1 ARG 7 35.012 1.366 5.718 5 1HH2 ARG 7 1HH2 ARG 7 38.731 -0.113 5.259 6 H ARG 8 H ARG 8 30.765 -2.772 4.009 7 HA ARG 8 HA ARG 8 28.778 -3.810 2.182 8 HE ARG 8 HE ARG 8 27.662 0.771 4.989 9 1HH1 ARG 8 1HH1 ARG 8 28.310 -1.174 7.803 10 1HH2 ARG 8 1HH2 ARG 8 28.541 2.506 6.182 11 H CYS 9 H CYS 9 26.765 -2.350 1.889 12 HA CYS 9 HA CYS 9 27.630 -0.051 0.395 13 HA PRO 10 HA PRO 10 26.778 3.150 3.293 14 H SER 11 H SER 11 25.016 4.628 4.140 15 HA SER 11 HA SER 11 22.811 3.167 4.945 16 HG SER 11 HG SER 11 21.678 5.909 6.737 17 HA PRO 12 HA PRO 12 20.585 3.033 1.003 18 H ARG 13 H ARG 13 19.113 4.376 0.072 19 HA ARG 13 HA ARG 13 18.435 6.791 1.309 20 HE ARG 13 HE ARG 13 18.113 10.167 -1.738 21 1HH1 ARG 13 1HH1 ARG 13 18.332 8.323 -4.686 22 1HH2 ARG 13 1HH2 ARG 13 18.229 12.014 -3.074 23 H ASP 14 H ASP 14 16.455 7.607 2.014 24 HA ASP 14 HA ASP 14 14.864 5.593 3.371 25 H ILE 15 H ILE 15 12.488 6.750 3.753 26 HA ILE 15 HA ILE 15 11.344 7.479 1.171 27 HB ILE 15 HB ILE 15 11.254 5.028 1.186 28 H ASP 16 H ASP 16 9.365 8.549 1.330 29 HA ASP 16 HA ASP 16 8.764 9.608 3.963 30 H ASN 17 H ASN 17 6.571 9.636 4.781 31 HA ASN 17 HA ASN 17 4.846 8.378 5.627 32 H GLY 18 H GLY 18 7.284 6.861 5.068 33 H GLN 19 H GLN 19 8.025 2.531 5.253 34 HA GLN 19 HA GLN 19 10.333 3.660 6.672 35 H LEU 20 H LEU 20 12.211 2.304 6.669 36 HA LEU 20 HA LEU 20 12.314 0.596 4.319 37 HG LEU 20 HG LEU 20 13.801 3.407 5.758 38 H ASP 21 H ASP 21 13.246 -1.489 4.352 39 HA ASP 21 HA ASP 21 13.225 -2.827 6.976 40 H ILE 22 H ILE 22 15.527 -2.079 6.635 41 HA ILE 22 HA ILE 22 17.080 -3.434 4.641 42 HB ILE 22 HB ILE 22 18.391 -2.118 6.968 43 H GLY 23 H GLY 23 17.038 -5.611 4.938 44 H GLY 24 H GLY 24 19.592 -5.285 5.404 45 H VAL 25 H VAL 25 23.469 -4.973 5.247 46 HA VAL 25 HA VAL 25 22.829 -3.469 2.799 47 HB VAL 25 HB VAL 25 24.433 -1.737 3.817 48 H ASP 26 H ASP 26 24.533 -6.014 3.394 49 HA ASP 26 HA ASP 26 27.180 -5.194 2.639 50 H PHE 27 H PHE 27 28.287 -5.922 0.728 51 HA PHE 27 HA PHE 27 27.056 -5.241 -1.661 52 HD1 PHE 27 HD1 PHE 27 27.311 -5.196 -3.594 53 HD2 PHE 27 HD2 PHE 27 31.173 -6.913 -3.053 54 HE1 PHE 27 HE1 PHE 27 27.733 -5.024 -6.022 55 HE2 PHE 27 HE2 PHE 27 31.591 -6.747 -5.469 56 HZ PHE 27 HZ PHE 27 29.874 -5.806 -6.951 57 H GLY 28 H GLY 28 25.057 -6.347 -1.776 58 H SER 29 H SER 29 23.901 -7.058 -0.336 59 HA SER 29 HA SER 29 21.772 -8.848 0.384 60 HG SER 29 HG SER 29 22.621 -8.245 3.229 61 H SER 30 H SER 30 19.646 -7.503 1.131 62 HA SER 30 HA SER 30 18.833 -5.686 -0.990 63 HG SER 30 HG SER 30 16.653 -8.962 -0.301 64 H ILE 31 H ILE 31 16.903 -4.504 -0.534 65 HA ILE 31 HA ILE 31 16.182 -4.509 2.329 66 HB ILE 31 HB ILE 31 15.554 -2.065 0.821 67 H THR 32 H THR 32 13.986 -3.444 2.716 68 HA THR 32 HA THR 32 12.068 -4.035 0.581 69 HB THR 32 HB THR 32 10.963 -4.766 3.147 70 HG1 THR 32 HG1 THR 32 12.326 -6.256 3.804 71 H TYR 33 H TYR 33 11.242 -2.081 0.191 72 HA TYR 33 HA TYR 33 10.927 -0.105 2.266 73 HD1 TYR 33 HD1 TYR 33 12.901 -0.546 -0.689 74 HD2 TYR 33 HD2 TYR 33 11.072 2.947 0.908 75 HE1 TYR 33 HE1 TYR 33 15.048 0.644 -0.845 76 HE2 TYR 33 HE2 TYR 33 13.211 4.147 0.754 77 HH TYR 33 HH TYR 33 15.877 3.161 0.721 78 H SER 34 H SER 34 8.981 0.777 3.027 79 HA SER 34 HA SER 34 6.473 -0.470 2.263 80 HG SER 34 HG SER 34 7.338 -1.069 6.187 81 H CYS 35 H CYS 35 4.603 0.588 3.202 82 HA CYS 35 HA CYS 35 5.064 3.424 3.526 83 H ASN 36 H ASN 36 3.865 4.635 5.221 84 HA ASN 36 HA ASN 36 4.627 3.742 7.779 85 H SER 37 H SER 37 1.308 4.804 7.217 86 HA SER 37 HA SER 37 0.222 2.227 7.963 87 HG SER 37 HG SER 37 -0.279 1.688 10.053 88 H GLY 38 H GLY 38 -1.745 1.912 7.090 89 H TYR 39 H TYR 39 -0.933 2.831 4.834 90 HA TYR 39 HA TYR 39 -1.712 4.564 2.584 91 HD1 TYR 39 HD1 TYR 39 -1.676 5.984 4.468 92 HD2 TYR 39 HD2 TYR 39 1.964 6.634 2.364 93 HE1 TYR 39 HE1 TYR 39 -1.955 8.410 4.747 94 HE2 TYR 39 HE2 TYR 39 1.694 9.063 2.635 95 HH TYR 39 HH TYR 39 -1.235 10.461 3.858 96 H HIS 40 H HIS 40 -0.237 3.999 0.598 97 HA HIS 40 HA HIS 40 0.179 1.133 0.344 98 HD1 HIS 40 HD1 HIS 40 -3.153 1.988 -3.160 99 HD2 HIS 40 HD2 HIS 40 -0.817 4.712 -1.074 100 HE1 HIS 40 HE1 HIS 40 -3.700 4.236 -4.142 101 HE2 HIS 40 HE2 HIS 40 -2.273 5.871 -2.863 102 H LEU 41 H LEU 41 2.157 0.900 -0.346 103 HA LEU 41 HA LEU 41 3.587 3.034 -1.616 104 HG LEU 41 HG LEU 41 5.937 1.998 -2.489 105 H ILE 42 H ILE 42 3.988 3.309 -3.723 106 HA ILE 42 HA ILE 42 2.849 1.339 -5.565 107 HB ILE 42 HB ILE 42 3.832 4.016 -6.463 108 H GLY 43 H GLY 43 3.988 0.956 -7.620 109 H GLU 44 H GLU 44 8.524 0.293 -7.302 110 HA GLU 44 HA GLU 44 8.329 -2.481 -6.598 111 H SER 45 H SER 45 9.599 -3.106 -4.481 112 HA SER 45 HA SER 45 8.937 -1.373 -2.236 113 HG SER 45 HG SER 45 7.488 -5.127 -2.350 114 H LYS 46 H LYS 46 11.347 -2.564 -3.611 115 HA LYS 46 HA LYS 46 12.655 -3.487 -1.176 116 H SER 47 H SER 47 15.084 -4.009 -1.887 117 HA SER 47 HA SER 47 16.134 -2.199 -3.865 118 HG SER 47 HG SER 47 16.953 0.456 -2.512 119 H TYR 48 H TYR 48 18.293 -2.711 -4.411 120 HA TYR 48 HA TYR 48 19.331 -5.120 -3.076 121 HD1 TYR 48 HD1 TYR 48 17.339 -6.179 -3.632 122 HD2 TYR 48 HD2 TYR 48 18.067 -4.868 -7.612 123 HE1 TYR 48 HE1 TYR 48 15.002 -6.665 -4.211 124 HE2 TYR 48 HE2 TYR 48 15.731 -5.348 -8.204 125 HH TYR 48 HH TYR 48 13.859 -7.180 -6.972 126 H CYS 49 H CYS 49 21.224 -4.833 -2.173 127 HA CYS 49 HA CYS 49 22.864 -2.552 -2.681 128 H GLU 50 H GLU 50 24.037 -2.341 -4.481 129 HA GLU 50 HA GLU 50 25.647 -4.628 -5.349 130 H LEU 51 H LEU 51 26.984 -3.731 -7.401 131 HA LEU 51 HA LEU 51 28.587 -1.588 -6.281 132 HG LEU 51 HG LEU 51 28.192 -3.054 -9.545 133 H GLY 52 H GLY 52 28.903 0.402 -7.186 134 H SER 53 H SER 53 30.258 2.198 -8.213 135 HA SER 53 HA SER 53 30.960 3.045 -10.895 136 HG SER 53 HG SER 53 32.455 5.525 -9.584 137 H THR 54 H THR 54 30.620 0.386 -11.024 138 HA THR 54 HA THR 54 31.600 -1.592 -11.593 139 HB THR 54 HB THR 54 33.481 -1.453 -13.003 140 HG1 THR 54 HG1 THR 54 35.096 -0.035 -12.748 141 H GLY 55 H GLY 55 31.840 -0.701 -8.832 142 H SER 56 H SER 56 32.355 0.644 -7.533 143 HA SER 56 HA SER 56 32.676 1.036 -4.752 144 HG SER 56 HG SER 56 30.830 3.784 -4.710 145 H MET 57 H MET 57 30.145 2.001 -3.978 146 HA MET 57 HA MET 57 28.548 -0.468 -3.858 147 H VAL 58 H VAL 58 26.358 -0.250 -4.042 148 HA VAL 58 HA VAL 58 25.121 2.366 -3.931 149 HB VAL 58 HB VAL 58 24.088 1.975 -6.246 150 H TRP 59 H TRP 59 22.712 2.075 -4.758 151 HA TRP 59 HA TRP 59 21.684 -0.522 -3.849 152 HD1 TRP 59 HD1 TRP 59 22.927 2.348 -1.157 153 HE1 TRP 59 HE1 TRP 59 23.559 0.978 0.933 154 HE3 TRP 59 HE3 TRP 59 19.744 -1.599 -1.786 155 HZ2 TRP 59 HZ2 TRP 59 22.800 -1.464 2.144 156 HZ3 TRP 59 HZ3 TRP 59 19.759 -3.405 -0.120 157 HH2 TRP 59 HH2 TRP 59 21.245 -3.338 1.791 158 H ASN 60 H ASN 60 20.256 -1.363 -5.240 159 HA ASN 60 HA ASN 60 18.530 0.407 -6.784 160 HA PRO 61 HA PRO 61 16.694 0.484 -7.707 161 H GLU 62 H GLU 62 15.054 2.228 -6.435 162 HA GLU 62 HA GLU 62 16.380 2.616 -3.857 163 H ALA 63 H ALA 63 14.566 4.859 -3.245 164 HA ALA 63 HA ALA 63 12.534 3.371 -1.890 165 HA PRO 64 HA PRO 64 9.672 3.929 -5.327 166 H ILE 65 H ILE 65 6.864 3.865 -4.656 167 HA ILE 65 HA ILE 65 6.607 6.587 -3.615 168 HB ILE 65 HB ILE 65 4.400 5.048 -4.911 169 H CYS 66 H CYS 66 4.561 7.058 -2.381 170 HA CYS 66 HA CYS 66 3.334 4.924 -0.918 171 H GLU 67 H GLU 67 1.308 5.506 -0.446 172 HA GLU 67 HA GLU 67 0.661 8.253 0.220 173 H SER 68 H SER 68 -1.910 8.364 0.405 174 HA SER 68 HA SER 68 -2.583 6.326 2.327 175 HG SER 68 HG SER 68 -4.905 9.571 1.514 176 H VAL 69 H VAL 69 -3.520 4.497 1.879 177 HA VAL 69 HA VAL 69 -4.299 3.530 -0.535 178 HB VAL 69 HB VAL 69 -5.840 1.978 0.774 179 H LYS 70 H LYS 70 -5.523 4.859 -1.828 180 HA LYS 70 HA LYS 70 -8.006 5.987 -0.879 181 H CYS 71 H CYS 71 -9.847 4.885 -0.794 182 HA CYS 71 HA CYS 71 -10.190 2.549 -2.534 183 H GLN 72 H GLN 72 -11.330 2.827 -4.318 184 HA GLN 72 HA GLN 72 -12.857 5.174 -4.788 185 H SER 73 H SER 73 -15.048 4.004 -6.261 186 HA SER 73 HA SER 73 -17.070 4.114 -4.428 187 HG SER 73 HG SER 73 -18.716 1.912 -7.025 188 HA PRO 74 HA PRO 74 -16.813 0.410 -2.006 189 HA PRO 75 HA PRO 75 -17.586 -3.216 -4.377 190 H SER 76 H SER 76 -19.169 -4.246 -5.645 191 HA SER 76 HA SER 76 -21.724 -2.793 -5.774 192 HG SER 76 HG SER 76 -21.676 -1.967 -8.545 193 H ILE 77 H ILE 77 -22.851 -4.054 -4.298 194 HA ILE 77 HA ILE 77 -22.898 -6.883 -4.360 195 HB ILE 77 HB ILE 77 -24.753 -6.764 -2.823 196 H SER 78 H SER 78 -25.227 -7.946 -4.459 197 HA SER 78 HA SER 78 -26.210 -7.383 -7.162 198 HG SER 78 HG SER 78 -24.613 -9.725 -7.017 199 H ASN 79 H ASN 79 -28.316 -6.912 -7.593 200 HA ASN 79 HA ASN 79 -30.435 -6.163 -7.252 201 H GLY 80 H GLY 80 -28.107 -4.691 -6.263 202 H ARG 81 H ARG 81 -27.511 -1.312 -3.619 203 HA ARG 81 HA ARG 81 -25.154 -1.088 -5.181 204 HE ARG 81 HE ARG 81 -30.198 1.907 -6.317 205 1HH1 ARG 81 1HH1 ARG 81 -29.085 1.294 -9.562 206 2HH2 ARG 81 2HH2 ARG 81 -32.418 2.176 -8.979 207 H HIS 82 H HIS 82 -24.273 1.352 -4.726 208 HA HIS 82 HA HIS 82 -24.518 1.656 -1.810 209 HD1 HIS 82 HD1 HIS 82 -21.903 4.174 -4.265 210 HD2 HIS 82 HD2 HIS 82 -21.557 0.060 -4.728 211 HE1 HIS 82 HE1 HIS 82 -20.823 3.839 -6.511 212 HE2 HIS 82 HE2 HIS 82 -20.623 1.342 -6.772 213 H ASN 83 H ASN 83 -23.952 3.897 -1.016 214 HA ASN 83 HA ASN 83 -25.471 5.831 -2.608 215 H GLY 84 H GLY 84 -22.986 6.520 -0.195 216 H TYR 85 H TYR 85 -20.410 9.857 -0.688 217 HA TYR 85 HA TYR 85 -22.199 11.469 -2.372 218 HD1 TYR 85 HD1 TYR 85 -20.490 10.848 1.470 219 HD2 TYR 85 HD2 TYR 85 -24.143 12.430 -0.031 220 HE1 TYR 85 HE1 TYR 85 -21.702 9.803 3.336 221 HE2 TYR 85 HE2 TYR 85 -25.366 11.390 1.831 222 HH TYR 85 HH TYR 85 -25.169 9.699 3.448 223 H GLU 86 H GLU 86 -18.907 10.701 -1.587 224 HA GLU 86 HA GLU 86 -17.875 12.675 -3.468 225 H ASP 87 H ASP 87 -15.659 11.524 -4.469 226 HA ASP 87 HA ASP 87 -16.754 9.402 -6.172 227 H PHE 88 H PHE 88 -14.263 10.122 -3.894 228 HA PHE 88 HA PHE 88 -13.276 7.364 -4.142 229 HD1 PHE 88 HD1 PHE 88 -12.272 9.593 -6.619 230 HD2 PHE 88 HD2 PHE 88 -9.986 6.795 -4.376 231 HE1 PHE 88 HE1 PHE 88 -11.392 8.643 -8.709 232 HE2 PHE 88 HE2 PHE 88 -9.102 5.841 -6.457 233 HZ PHE 88 HZ PHE 88 -9.802 6.762 -8.632 234 H TYR 89 H TYR 89 -11.852 6.852 -2.113 235 HA TYR 89 HA TYR 89 -12.817 8.167 0.296 236 HD1 TYR 89 HD1 TYR 89 -14.526 5.804 -2.266 237 HD2 TYR 89 HD2 TYR 89 -15.661 7.153 1.607 238 HE1 TYR 89 HE1 TYR 89 -16.787 6.278 -3.101 239 HE2 TYR 89 HE2 TYR 89 -17.929 7.630 0.781 240 HH TYR 89 HH TYR 89 -18.910 6.776 -2.496 241 H THR 90 H THR 90 -11.715 7.364 2.256 242 HA THR 90 HA THR 90 -9.139 6.073 1.701 243 HB THR 90 HB THR 90 -8.122 7.778 3.327 244 HG1 THR 90 HG1 THR 90 -9.268 9.804 3.284 245 H ASP 91 H ASP 91 -7.983 6.008 4.090 246 HA ASP 91 HA ASP 91 -9.400 4.035 5.488 247 H GLY 92 H GLY 92 -11.376 4.699 6.136 248 H SER 93 H SER 93 -13.154 5.234 5.581 249 HA SER 93 HA SER 93 -15.112 7.433 5.676 250 HG SER 93 HG SER 93 -12.706 7.311 4.148 251 H VAL 94 H VAL 94 -17.318 6.944 5.085 252 HA VAL 94 HA VAL 94 -18.036 4.114 5.360 253 HB VAL 94 HB VAL 94 -19.278 6.395 6.899 254 H VAL 95 H VAL 95 -19.996 3.499 4.433 255 HA VAL 95 HA VAL 95 -21.483 5.448 2.860 256 HB VAL 95 HB VAL 95 -20.344 2.980 1.552 257 H THR 96 H THR 96 -23.570 4.739 2.294 258 HA THR 96 HA THR 96 -24.414 2.305 3.712 259 HB THR 96 HB THR 96 -26.676 3.897 3.137 260 HG1 THR 96 HG1 THR 96 -26.136 5.871 3.946 261 H TYR 97 H TYR 97 -25.081 0.681 2.544 262 HA TYR 97 HA TYR 97 -25.401 0.923 -0.293 263 HD1 TYR 97 HD1 TYR 97 -23.096 0.363 1.199 264 HD2 TYR 97 HD2 TYR 97 -24.584 -2.863 -1.139 265 HE1 TYR 97 HE1 TYR 97 -20.845 -0.012 0.300 266 HE2 TYR 97 HE2 TYR 97 -22.329 -3.253 -2.040 267 HH TYR 97 HH TYR 97 -20.150 -1.524 -2.327 268 H SER 98 H SER 98 -27.250 0.017 -1.457 269 HA SER 98 HA SER 98 -29.787 -0.030 -0.046 270 HG SER 98 HG SER 98 -30.201 3.073 0.010 271 H CYS 99 H CYS 99 -31.196 -1.396 -0.963 272 HA CYS 99 HA CYS 99 -30.406 -2.987 -3.178 273 H ASN 100 H ASN 100 -31.814 -3.340 -5.117 274 HA ASN 100 HA ASN 100 -32.607 -0.732 -6.203 275 H SER 101 H SER 101 -33.712 -3.893 -7.292 276 HA SER 101 HA SER 101 -36.275 -3.247 -7.911 277 HG SER 101 HG SER 101 -36.865 -6.201 -8.877 278 H GLY 102 H GLY 102 -34.986 -3.740 -4.711 279 H TYR 103 H TYR 103 -34.469 -4.666 -3.080 280 HA TYR 103 HA TYR 103 -35.534 -6.767 -1.451 281 HD1 TYR 103 HD1 TYR 103 -33.547 -6.343 -4.720 282 HD2 TYR 103 HD2 TYR 103 -34.044 -9.411 -1.810 283 HE1 TYR 103 HE1 TYR 103 -34.016 -7.958 -6.513 284 HE2 TYR 103 HE2 TYR 103 -34.512 -11.034 -3.599 285 HH TYR 103 HH TYR 103 -35.358 -10.249 -6.625 286 H SER 104 H SER 104 -33.793 -7.231 0.524 287 HA SER 104 HA SER 104 -34.072 -4.873 2.249 288 HG SER 104 HG SER 104 -35.339 -6.495 4.829 289 H LEU 105 H LEU 105 -32.246 -3.888 2.580 290 HA LEU 105 HA LEU 105 -29.688 -4.733 2.012 291 HG LEU 105 HG LEU 105 -29.267 -1.196 2.436 292 H ILE 106 H ILE 106 -28.680 -6.470 2.767 293 HA ILE 106 HA ILE 106 -29.159 -7.368 5.504 294 HB ILE 106 HB ILE 106 -27.718 -8.704 3.211 295 H GLY 107 H GLY 107 -27.312 -8.040 6.834 296 H ASN 108 H ASN 108 -27.052 -5.381 7.379 297 HA ASN 108 HA ASN 108 -27.238 -3.132 7.410 298 H SER 109 H SER 109 -27.021 -1.385 6.200 299 HA SER 109 HA SER 109 -25.613 -1.555 3.778 300 HG SER 109 HG SER 109 -28.737 0.347 4.325 301 H GLY 110 H GLY 110 -24.760 -0.273 6.850 302 H VAL 111 H VAL 111 -20.959 1.534 5.164 303 HA VAL 111 HA VAL 111 -19.432 -0.980 5.289 304 HB VAL 111 HB VAL 111 -19.294 0.718 2.848 305 H LEU 112 H LEU 112 -17.487 -0.660 6.174 306 HA LEU 112 HA LEU 112 -16.500 2.048 6.477 307 HG LEU 112 HG LEU 112 -13.582 0.827 7.200 308 H CYS 113 H CYS 113 -15.069 2.979 5.191 309 HA CYS 113 HA CYS 113 -13.624 1.381 3.234 310 H SER 114 H SER 114 -11.891 0.415 4.125 311 HA SER 114 HA SER 114 -9.889 2.126 5.391 312 HG SER 114 HG SER 114 -10.186 1.585 8.321 313 H GLY 115 H GLY 115 -7.763 1.155 5.491 314 H GLY 116 H GLY 116 -8.011 1.507 2.645 315 H GLU 117 H GLU 117 -9.587 -0.490 2.088 316 HA GLU 117 HA GLU 117 -11.071 -1.551 -0.199 317 H TRP 118 H TRP 118 -13.082 -2.768 0.695 318 HA TRP 118 HA TRP 118 -14.271 -1.057 2.770 319 HD1 TRP 118 HD1 TRP 118 -14.144 -0.913 -1.314 320 HE1 TRP 118 HE1 TRP 118 -14.321 1.582 -1.920 321 HE3 TRP 118 HE3 TRP 118 -16.961 0.687 2.638 322 HZ2 TRP 118 HZ2 TRP 118 -15.503 3.910 -0.870 323 HZ3 TRP 118 HZ3 TRP 118 -17.577 3.066 2.761 324 HH2 TRP 118 HH2 TRP 118 -16.856 4.646 1.042 325 H SER 119 H SER 119 -15.012 -1.985 4.570 326 HA SER 119 HA SER 119 -15.109 -4.924 4.641 327 HG SER 119 HG SER 119 -12.762 -2.850 6.401 328 H ASP 120 H ASP 120 -16.780 -5.971 5.662 329 HA ASP 120 HA ASP 120 -18.868 -6.349 6.463 330 HA PRO 121 HA PRO 121 -20.607 -3.987 2.700 331 HA PRO 122 HA PRO 122 -24.217 -6.411 3.594 332 H THR 123 H THR 123 -26.395 -6.817 2.356 333 HA THR 123 HA THR 123 -25.863 -7.680 -0.397 334 HB THR 123 HB THR 123 -27.555 -9.535 1.112 335 HG1 THR 123 HG1 THR 123 -24.794 -9.458 1.738 336 H CYS 124 H CYS 124 -28.398 -8.980 -0.673 337 HA CYS 124 HA CYS 124 -30.406 -7.062 0.099 338 H GLN 125 H GLN 125 -31.374 -8.813 1.107 339 HA GLN 125 HA GLN 125 -32.437 -10.883 -0.688 340 H ILE 126 H ILE 126 -34.576 -11.692 -0.144 341 HA ILE 126 HA ILE 126 -36.369 -9.488 0.457 342 HB ILE 126 HB ILE 126 -36.996 -12.284 -0.478 No H/Q in entry = 342 Start of MODEL 49 1 H ARG 7 H ARG 7 33.711 3.055 -3.995 2 HA ARG 7 HA ARG 7 32.868 5.858 -3.671 3 HE ARG 7 HE ARG 7 35.962 3.849 -7.796 4 1HH1 ARG 7 1HH1 ARG 7 36.253 7.061 -6.482 5 1HH2 ARG 7 1HH2 ARG 7 37.069 4.665 -9.616 6 H ARG 8 H ARG 8 30.884 6.177 -2.923 7 HA ARG 8 HA ARG 8 28.852 5.658 -2.004 8 HE ARG 8 HE ARG 8 28.716 8.973 -5.560 9 1HH1 ARG 8 1HH1 ARG 8 25.778 7.912 -7.099 10 1HH2 ARG 8 1HH2 ARG 8 28.244 11.027 -6.434 11 H CYS 9 H CYS 9 26.944 3.744 -2.800 12 HA CYS 9 HA CYS 9 28.210 1.265 -1.836 13 HA PRO 10 HA PRO 10 26.768 -0.889 -5.402 14 H SER 11 H SER 11 24.825 -2.070 -6.330 15 HA SER 11 HA SER 11 22.571 -0.516 -6.246 16 HG SER 11 HG SER 11 21.968 -2.175 -9.010 17 HA PRO 12 HA PRO 12 21.134 -1.503 -2.071 18 H ARG 13 H ARG 13 19.304 -2.619 -1.172 19 HA ARG 13 HA ARG 13 18.332 -4.706 -2.828 20 HE ARG 13 HE ARG 13 16.962 -8.501 -0.975 21 1HH1 ARG 13 1HH1 ARG 13 19.056 -8.141 1.785 22 1HH2 ARG 13 1HH2 ARG 13 17.315 -10.744 -0.749 23 H ASP 14 H ASP 14 15.833 -5.150 -2.771 24 HA ASP 14 HA ASP 14 14.401 -2.658 -3.336 25 H ILE 15 H ILE 15 12.031 -3.455 -4.072 26 HA ILE 15 HA ILE 15 11.092 -5.413 -2.088 27 HB ILE 15 HB ILE 15 10.674 -3.273 -1.095 28 H ASP 16 H ASP 16 9.107 -6.450 -2.624 29 HA ASP 16 HA ASP 16 8.813 -6.876 -5.445 30 H ASN 17 H ASN 17 6.338 -6.151 -2.980 31 HA ASN 17 HA ASN 17 4.714 -4.895 -5.052 32 H GLY 18 H GLY 18 7.080 -3.538 -4.275 33 H GLN 19 H GLN 19 7.683 0.718 -3.329 34 HA GLN 19 HA GLN 19 9.653 0.292 -5.450 35 H LEU 20 H LEU 20 11.580 1.218 -5.037 36 HA LEU 20 HA LEU 20 11.938 2.517 -2.492 37 HG LEU 20 HG LEU 20 14.004 1.324 -1.591 38 H ASP 21 H ASP 21 13.072 4.501 -2.206 39 HA ASP 21 HA ASP 21 12.760 6.389 -4.448 40 H ILE 22 H ILE 22 14.952 5.594 -4.959 41 HA ILE 22 HA ILE 22 17.114 6.021 -3.176 42 HB ILE 22 HB ILE 22 17.453 5.909 -6.153 43 H GLY 23 H GLY 23 17.142 8.127 -2.438 44 H GLY 24 H GLY 24 19.442 8.041 -3.620 45 H VAL 25 H VAL 25 23.483 7.663 -4.212 46 HA VAL 25 HA VAL 25 23.048 5.486 -2.272 47 HB VAL 25 HB VAL 25 24.249 3.992 -3.815 48 H ASP 26 H ASP 26 24.879 8.126 -2.635 49 HA ASP 26 HA ASP 26 27.521 7.144 -2.362 50 H PHE 27 H PHE 27 28.885 7.246 -0.499 51 HA PHE 27 HA PHE 27 27.968 5.904 1.716 52 HD1 PHE 27 HD1 PHE 27 29.064 6.086 4.265 53 HD2 PHE 27 HD2 PHE 27 31.654 4.986 1.072 54 HE1 PHE 27 HE1 PHE 27 29.795 4.108 5.544 55 HE2 PHE 27 HE2 PHE 27 32.386 3.008 2.338 56 HZ PHE 27 HZ PHE 27 31.456 2.566 4.569 57 H GLY 28 H GLY 28 26.231 6.553 2.799 58 H SER 29 H SER 29 24.714 7.468 1.705 59 HA SER 29 HA SER 29 22.627 9.466 1.598 60 HG SER 29 HG SER 29 21.518 9.454 -0.301 61 H SER 30 H SER 30 20.370 8.374 0.834 62 HA SER 30 HA SER 30 19.706 6.088 2.490 63 HG SER 30 HG SER 30 17.518 9.343 3.410 64 H ILE 31 H ILE 31 17.795 5.087 1.956 65 HA ILE 31 HA ILE 31 16.460 6.078 -0.479 66 HB ILE 31 HB ILE 31 16.161 3.211 0.016 67 H THR 32 H THR 32 14.191 5.741 -0.626 68 HA THR 32 HA THR 32 12.923 5.241 1.985 69 HB THR 32 HB THR 32 11.292 6.653 0.009 70 HG1 THR 32 HG1 THR 32 12.511 8.622 0.323 71 H TYR 33 H TYR 33 11.814 3.413 2.130 72 HA TYR 33 HA TYR 33 11.044 1.999 -0.274 73 HD1 TYR 33 HD1 TYR 33 13.594 1.555 1.033 74 HD2 TYR 33 HD2 TYR 33 10.723 -1.564 0.832 75 HE1 TYR 33 HE1 TYR 33 15.294 0.073 0.029 76 HE2 TYR 33 HE2 TYR 33 12.419 -3.073 -0.139 77 HH TYR 33 HH TYR 33 14.698 -3.320 -0.435 78 H SER 34 H SER 34 9.036 1.605 -0.989 79 HA SER 34 HA SER 34 6.736 2.497 0.554 80 HG SER 34 HG SER 34 7.309 5.072 0.230 81 H CYS 35 H CYS 35 4.669 2.061 -0.684 82 HA CYS 35 HA CYS 35 4.873 -0.592 -1.832 83 H ASN 36 H ASN 36 3.383 -1.152 -3.661 84 HA ASN 36 HA ASN 36 4.056 0.388 -5.934 85 H SER 37 H SER 37 0.731 -0.471 -5.025 86 HA SER 37 HA SER 37 -0.137 2.258 -4.945 87 HG SER 37 HG SER 37 0.360 3.073 -7.012 88 H GLY 38 H GLY 38 -2.073 2.469 -3.902 89 H TYR 39 H TYR 39 -1.099 0.660 -2.091 90 HA TYR 39 HA TYR 39 -1.895 -1.791 -0.660 91 HD1 TYR 39 HD1 TYR 39 -1.979 -2.307 -3.093 92 HD2 TYR 39 HD2 TYR 39 1.555 -3.976 -1.419 93 HE1 TYR 39 HE1 TYR 39 -2.424 -4.419 -4.273 94 HE2 TYR 39 HE2 TYR 39 1.123 -6.090 -2.590 95 HH TYR 39 HH TYR 39 -1.563 -7.083 -3.668 96 H HIS 40 H HIS 40 -0.119 -2.182 1.164 97 HA HIS 40 HA HIS 40 0.437 0.293 2.593 98 HD1 HIS 40 HD1 HIS 40 -0.875 -2.026 6.398 99 HD2 HIS 40 HD2 HIS 40 -0.860 -3.743 2.616 100 HE1 HIS 40 HE1 HIS 40 -0.971 -4.508 6.787 101 HE2 HIS 40 HE2 HIS 40 -0.960 -5.529 4.483 102 H LEU 41 H LEU 41 2.359 0.264 3.619 103 HA LEU 41 HA LEU 41 4.060 -2.002 3.018 104 HG LEU 41 HG LEU 41 6.417 -1.593 3.636 105 H ILE 42 H ILE 42 4.957 -3.368 4.459 106 HA ILE 42 HA ILE 42 4.246 -2.944 7.282 107 HB ILE 42 HB ILE 42 5.127 -5.646 6.662 108 H GLY 43 H GLY 43 5.744 -2.562 8.626 109 H GLU 44 H GLU 44 10.254 -2.234 8.277 110 HA GLU 44 HA GLU 44 10.245 0.457 9.118 111 H SER 45 H SER 45 11.720 1.268 6.472 112 HA SER 45 HA SER 45 10.134 1.307 4.276 113 HG SER 45 HG SER 45 8.644 3.798 7.005 114 H LYS 46 H LYS 46 12.879 1.389 4.960 115 HA LYS 46 HA LYS 46 13.778 3.448 3.213 116 H SER 47 H SER 47 16.184 3.596 3.189 117 HA SER 47 HA SER 47 17.645 1.268 4.107 118 HG SER 47 HG SER 47 15.904 0.283 2.337 119 H TYR 48 H TYR 48 19.852 1.781 4.483 120 HA TYR 48 HA TYR 48 20.555 4.464 3.435 121 HD1 TYR 48 HD1 TYR 48 19.013 2.420 6.201 122 HD2 TYR 48 HD2 TYR 48 19.512 6.622 6.078 123 HE1 TYR 48 HE1 TYR 48 16.763 2.676 7.138 124 HE2 TYR 48 HE2 TYR 48 17.242 6.924 7.009 125 HH TYR 48 HH TYR 48 15.544 5.809 8.127 126 H CYS 49 H CYS 49 22.372 4.755 2.579 127 HA CYS 49 HA CYS 49 24.229 2.599 2.263 128 H GLU 50 H GLU 50 25.208 2.079 4.153 129 HA GLU 50 HA GLU 50 26.995 4.123 5.270 130 H LEU 51 H LEU 51 28.615 3.018 6.783 131 HA LEU 51 HA LEU 51 30.079 1.171 5.156 132 HG LEU 51 HG LEU 51 30.014 1.611 8.744 133 H GLY 52 H GLY 52 30.965 -0.854 5.897 134 H SER 53 H SER 53 30.947 -4.421 8.128 135 HA SER 53 HA SER 53 31.509 -3.347 10.755 136 HG SER 53 HG SER 53 30.471 -6.024 11.856 137 H THR 54 H THR 54 33.401 -4.900 8.166 138 HA THR 54 HA THR 54 35.908 -4.374 9.417 139 HB THR 54 HB THR 54 36.900 -5.209 7.376 140 HG1 THR 54 HG1 THR 54 35.965 -4.873 5.547 141 H GLY 55 H GLY 55 33.785 -2.498 7.480 142 H SER 56 H SER 56 33.544 -2.395 5.562 143 HA SER 56 HA SER 56 34.115 -1.180 3.023 144 HG SER 56 HG SER 56 32.358 -3.912 4.768 145 H MET 57 H MET 57 31.747 -1.540 1.652 146 HA MET 57 HA MET 57 30.045 0.543 2.831 147 H VAL 58 H VAL 58 27.996 0.088 3.292 148 HA VAL 58 HA VAL 58 26.717 -2.255 2.095 149 HB VAL 58 HB VAL 58 25.828 -2.756 4.482 150 H TRP 59 H TRP 59 24.364 -2.349 3.294 151 HA TRP 59 HA TRP 59 23.318 0.398 3.246 152 HD1 TRP 59 HD1 TRP 59 23.997 -1.604 -0.214 153 HE1 TRP 59 HE1 TRP 59 24.178 0.250 -1.989 154 HE3 TRP 59 HE3 TRP 59 20.863 1.858 1.890 155 HZ2 TRP 59 HZ2 TRP 59 23.133 2.834 -2.436 156 HZ3 TRP 59 HZ3 TRP 59 20.512 3.991 0.721 157 HH2 TRP 59 HH2 TRP 59 21.622 4.465 -1.390 158 H ASN 60 H ASN 60 22.172 0.928 4.954 159 HA ASN 60 HA ASN 60 21.454 -0.925 7.008 160 HA PRO 61 HA PRO 61 17.250 -2.401 6.916 161 H GLU 62 H GLU 62 16.822 -3.566 5.279 162 HA GLU 62 HA GLU 62 17.407 -2.675 2.605 163 H ALA 63 H ALA 63 14.704 -4.711 3.564 164 HA ALA 63 HA ALA 63 13.015 -3.765 1.588 165 HA PRO 64 HA PRO 64 10.765 -4.554 4.573 166 H ILE 65 H ILE 65 8.078 -5.001 4.360 167 HA ILE 65 HA ILE 65 7.852 -5.741 1.538 168 HB ILE 65 HB ILE 65 5.932 -7.183 2.437 169 H CYS 66 H CYS 66 5.299 -6.047 1.019 170 HA CYS 66 HA CYS 66 3.716 -3.801 1.905 171 H GLU 67 H GLU 67 1.776 -4.628 2.177 172 HA GLU 67 HA GLU 67 0.845 -6.720 0.331 173 H SER 68 H SER 68 -1.647 -6.675 0.094 174 HA SER 68 HA SER 68 -2.357 -3.987 -0.816 175 HG SER 68 HG SER 68 -4.129 -6.993 -0.513 176 H VAL 69 H VAL 69 -3.471 -2.778 0.545 177 HA VAL 69 HA VAL 69 -4.719 -3.518 2.873 178 HB VAL 69 HB VAL 69 -6.212 -1.420 2.403 179 H LYS 70 H LYS 70 -6.048 -5.251 2.854 180 HA LYS 70 HA LYS 70 -8.118 -5.589 0.891 181 H CYS 71 H CYS 71 -10.105 -4.772 0.950 182 HA CYS 71 HA CYS 71 -11.136 -3.756 3.512 183 H GLN 72 H GLN 72 -12.602 -5.000 4.448 184 HA GLN 72 HA GLN 72 -13.791 -7.199 3.111 185 H SER 73 H SER 73 -16.433 -7.074 4.283 186 HA SER 73 HA SER 73 -17.944 -6.168 2.202 187 HG SER 73 HG SER 73 -20.250 -5.510 5.081 188 HA PRO 74 HA PRO 74 -17.693 -1.735 2.267 189 HA PRO 75 HA PRO 75 -19.533 -0.030 5.870 190 H SER 76 H SER 76 -21.490 0.035 7.044 191 HA SER 76 HA SER 76 -23.681 -1.442 5.755 192 HG SER 76 HG SER 76 -25.099 -2.107 8.646 193 H ILE 77 H ILE 77 -24.720 0.343 4.838 194 HA ILE 77 HA ILE 77 -25.420 2.665 6.315 195 HB ILE 77 HB ILE 77 -26.836 3.255 4.442 196 H SER 78 H SER 78 -27.852 3.320 6.339 197 HA SER 78 HA SER 78 -29.251 1.208 7.815 198 HG SER 78 HG SER 78 -27.822 3.530 8.741 199 H ASN 79 H ASN 79 -31.310 0.554 7.304 200 HA ASN 79 HA ASN 79 -33.075 0.046 5.975 201 H GLY 80 H GLY 80 -30.329 -0.398 5.003 202 H ARG 81 H ARG 81 -28.604 -1.482 1.164 203 HA ARG 81 HA ARG 81 -26.680 -2.649 2.922 204 HE ARG 81 HE ARG 81 -31.842 -5.776 1.631 205 1HH1 ARG 81 1HH1 ARG 81 -29.149 -6.800 -0.326 206 2HH2 ARG 81 2HH2 ARG 81 -32.419 -7.135 -1.518 207 H HIS 82 H HIS 82 -25.245 -4.218 1.376 208 HA HIS 82 HA HIS 82 -24.693 -2.592 -1.013 209 HD1 HIS 82 HD1 HIS 82 -22.377 -6.067 0.017 210 HD2 HIS 82 HD2 HIS 82 -22.763 -3.252 3.048 211 HE1 HIS 82 HE1 HIS 82 -21.899 -7.306 2.151 212 HE2 HIS 82 HE2 HIS 82 -22.137 -5.584 3.973 213 H ASN 83 H ASN 83 -23.495 -3.821 -2.757 214 HA ASN 83 HA ASN 83 -24.862 -6.378 -3.155 215 H GLY 84 H GLY 84 -21.928 -5.642 -4.934 216 H TYR 85 H TYR 85 -21.087 -8.712 -2.441 217 HA TYR 85 HA TYR 85 -21.973 -10.788 -2.330 218 HD1 TYR 85 HD1 TYR 85 -23.390 -9.368 -3.102 219 HD2 TYR 85 HD2 TYR 85 -22.927 -11.254 -6.887 220 HE1 TYR 85 HE1 TYR 85 -25.298 -8.092 -3.962 221 HE2 TYR 85 HE2 TYR 85 -24.842 -9.980 -7.759 222 HH TYR 85 HH TYR 85 -26.917 -8.145 -5.705 223 H GLU 86 H GLU 86 -19.055 -9.665 -2.306 224 HA GLU 86 HA GLU 86 -17.723 -12.257 -2.242 225 H ASP 87 H ASP 87 -15.680 -11.886 -0.589 226 HA ASP 87 HA ASP 87 -16.957 -11.258 1.987 227 H PHE 88 H PHE 88 -14.312 -10.599 -0.120 228 HA PHE 88 HA PHE 88 -13.418 -8.490 1.685 229 HD1 PHE 88 HD1 PHE 88 -10.599 -8.063 2.802 230 HD2 PHE 88 HD2 PHE 88 -12.471 -11.879 2.834 231 HE1 PHE 88 HE1 PHE 88 -10.157 -8.250 5.204 232 HE2 PHE 88 HE2 PHE 88 -12.034 -12.078 5.245 233 HZ PHE 88 HZ PHE 88 -10.873 -10.261 6.440 234 H TYR 89 H TYR 89 -11.794 -7.043 0.520 235 HA TYR 89 HA TYR 89 -12.073 -7.005 -2.369 236 HD1 TYR 89 HD1 TYR 89 -14.689 -6.321 0.405 237 HD2 TYR 89 HD2 TYR 89 -14.637 -5.531 -3.777 238 HE1 TYR 89 HE1 TYR 89 -16.973 -7.219 0.209 239 HE2 TYR 89 HE2 TYR 89 -16.922 -6.428 -3.977 240 HH TYR 89 HH TYR 89 -18.842 -7.201 -1.196 241 H THR 90 H THR 90 -10.663 -5.371 -3.378 242 HA THR 90 HA THR 90 -8.403 -4.679 -1.618 243 HB THR 90 HB THR 90 -7.017 -4.970 -3.775 244 HG1 THR 90 HG1 THR 90 -9.188 -6.644 -4.470 245 H ASP 91 H ASP 91 -6.856 -3.162 -3.065 246 HA ASP 91 HA ASP 91 -8.242 -0.701 -3.252 247 H GLY 92 H GLY 92 -9.767 -0.671 -4.767 248 H SER 93 H SER 93 -11.319 -1.702 -5.174 249 HA SER 93 HA SER 93 -12.869 -3.176 -7.174 250 HG SER 93 HG SER 93 -11.396 -3.351 -4.029 251 H VAL 94 H VAL 94 -15.255 -3.151 -6.953 252 HA VAL 94 HA VAL 94 -16.295 -0.653 -5.840 253 HB VAL 94 HB VAL 94 -16.766 -1.584 -8.673 254 H VAL 95 H VAL 95 -18.541 -0.638 -5.438 255 HA VAL 95 HA VAL 95 -20.007 -3.139 -5.722 256 HB VAL 95 HB VAL 95 -19.719 -1.859 -3.008 257 H THR 96 H THR 96 -22.252 -2.906 -5.541 258 HA THR 96 HA THR 96 -23.165 -0.114 -5.661 259 HB THR 96 HB THR 96 -25.208 -1.773 -6.638 260 HG1 THR 96 HG1 THR 96 -24.118 -2.976 -8.225 261 H TYR 97 H TYR 97 -24.505 0.623 -4.167 262 HA TYR 97 HA TYR 97 -25.394 -1.190 -2.085 263 HD1 TYR 97 HD1 TYR 97 -22.807 0.180 -2.249 264 HD2 TYR 97 HD2 TYR 97 -25.412 1.214 0.955 265 HE1 TYR 97 HE1 TYR 97 -20.967 -0.131 -0.661 266 HE2 TYR 97 HE2 TYR 97 -23.569 0.905 2.552 267 HH TYR 97 HH TYR 97 -21.415 0.389 2.821 268 H SER 98 H SER 98 -27.571 -1.152 -1.257 269 HA SER 98 HA SER 98 -29.658 -0.098 -2.971 270 HG SER 98 HG SER 98 -28.554 -3.181 -4.456 271 H CYS 99 H CYS 99 -31.600 0.164 -1.941 272 HA CYS 99 HA CYS 99 -31.589 0.031 0.914 273 H ASN 100 H ASN 100 -33.245 -1.055 2.205 274 HA ASN 100 HA ASN 100 -33.682 -3.761 1.226 275 H SER 101 H SER 101 -35.678 -1.629 3.271 276 HA SER 101 HA SER 101 -38.102 -2.867 2.609 277 HG SER 101 HG SER 101 -39.825 -0.664 4.541 278 H GLY 102 H GLY 102 -36.242 -0.490 0.933 279 H TYR 103 H TYR 103 -35.731 1.361 0.619 280 HA TYR 103 HA TYR 103 -36.884 3.943 0.456 281 HD1 TYR 103 HD1 TYR 103 -35.729 1.738 3.216 282 HD2 TYR 103 HD2 TYR 103 -35.779 5.948 2.604 283 HE1 TYR 103 HE1 TYR 103 -36.839 2.036 5.390 284 HE2 TYR 103 HE2 TYR 103 -36.889 6.258 4.775 285 HH TYR 103 HH TYR 103 -37.377 3.575 6.990 286 H SER 104 H SER 104 -35.054 5.729 -0.136 287 HA SER 104 HA SER 104 -34.399 5.231 -2.963 288 HG SER 104 HG SER 104 -36.892 7.748 -2.467 289 H LEU 105 H LEU 105 -32.327 4.529 -2.896 290 HA LEU 105 HA LEU 105 -30.364 5.021 -1.123 291 HG LEU 105 HG LEU 105 -28.365 4.220 -1.498 292 H ILE 106 H ILE 106 -29.217 6.622 -0.452 293 HA ILE 106 HA ILE 106 -29.408 9.215 -1.761 294 HB ILE 106 HB ILE 106 -28.215 8.361 0.876 295 H GLY 107 H GLY 107 -27.507 10.448 -2.300 296 H ASN 108 H ASN 108 -23.859 7.979 -3.434 297 HA ASN 108 HA ASN 108 -25.147 7.113 -5.939 298 H SER 109 H SER 109 -25.232 4.934 -6.360 299 HA SER 109 HA SER 109 -25.138 3.190 -4.120 300 HG SER 109 HG SER 109 -26.115 0.547 -5.871 301 H GLY 110 H GLY 110 -22.959 3.920 -6.727 302 H VAL 111 H VAL 111 -19.573 1.252 -5.169 303 HA VAL 111 HA VAL 111 -18.502 3.463 -3.558 304 HB VAL 111 HB VAL 111 -18.710 0.740 -2.375 305 H LEU 112 H LEU 112 -16.415 3.709 -3.970 306 HA LEU 112 HA LEU 112 -14.917 1.614 -5.264 307 HG LEU 112 HG LEU 112 -12.168 2.977 -4.364 308 H CYS 113 H CYS 113 -13.733 0.135 -4.296 309 HA CYS 113 HA CYS 113 -13.104 0.401 -1.463 310 H SER 114 H SER 114 -11.397 1.700 -1.183 311 HA SER 114 HA SER 114 -8.887 0.945 -2.469 312 HG SER 114 HG SER 114 -10.955 3.701 -1.947 313 H GLY 115 H GLY 115 -7.003 1.778 -1.396 314 H GLY 116 H GLY 116 -7.855 -0.082 0.626 315 H GLU 117 H GLU 117 -9.785 1.414 1.684 316 HA GLU 117 HA GLU 117 -11.923 1.137 3.678 317 H TRP 118 H TRP 118 -13.886 2.440 3.007 318 HA TRP 118 HA TRP 118 -14.296 2.088 0.118 319 HD1 TRP 118 HD1 TRP 118 -15.210 -0.355 3.333 320 HE1 TRP 118 HE1 TRP 118 -15.143 -2.736 2.356 321 HE3 TRP 118 HE3 TRP 118 -16.520 0.707 -1.492 322 HZ2 TRP 118 HZ2 TRP 118 -15.596 -3.994 -0.124 323 HZ3 TRP 118 HZ3 TRP 118 -16.678 -1.142 -3.107 324 HH2 TRP 118 HH2 TRP 118 -16.224 -3.448 -2.432 325 H SER 119 H SER 119 -14.951 3.760 -1.110 326 HA SER 119 HA SER 119 -15.538 6.297 0.268 327 HG SER 119 HG SER 119 -12.923 5.199 -0.786 328 H ASP 120 H ASP 120 -17.030 7.725 -0.752 329 HA ASP 120 HA ASP 120 -18.946 8.283 -1.837 330 HA PRO 121 HA PRO 121 -21.082 4.287 -0.309 331 HA PRO 122 HA PRO 122 -24.622 7.009 -0.214 332 H THR 123 H THR 123 -27.061 6.569 0.337 333 HA THR 123 HA THR 123 -27.287 5.202 2.929 334 HB THR 123 HB THR 123 -28.874 7.659 2.745 335 HG1 THR 123 HG1 THR 123 -27.233 9.083 2.862 336 H CYS 124 H CYS 124 -29.998 6.063 3.335 337 HA CYS 124 HA CYS 124 -31.448 5.315 0.962 338 H GLN 125 H GLN 125 -32.435 7.284 1.153 339 HA GLN 125 HA GLN 125 -34.303 7.545 3.408 340 H ILE 126 H ILE 126 -36.292 8.639 2.927 341 HA ILE 126 HA ILE 126 -37.360 7.834 0.371 342 HB ILE 126 HB ILE 126 -38.691 9.238 2.689 No H/Q in entry = 342 Start of MODEL 50 1 H ARG 7 H ARG 7 -32.904 0.665 5.059 2 HA ARG 7 HA ARG 7 -33.534 2.786 3.114 3 HE ARG 7 HE ARG 7 -35.048 4.085 8.252 4 1HH1 ARG 7 1HH1 ARG 7 -33.396 1.176 9.222 5 2HH2 ARG 7 2HH2 ARG 7 -35.045 3.142 11.599 6 H ARG 8 H ARG 8 -31.437 4.431 3.401 7 HA ARG 8 HA ARG 8 -29.398 4.703 2.402 8 HE ARG 8 HE ARG 8 -29.807 6.528 6.563 9 1HH1 ARG 8 1HH1 ARG 8 -26.548 6.007 7.671 10 1HH2 ARG 8 1HH2 ARG 8 -29.804 8.368 7.910 11 H CYS 9 H CYS 9 -27.157 3.014 2.345 12 HA CYS 9 HA CYS 9 -27.963 1.182 0.207 13 HA PRO 10 HA PRO 10 -26.870 -2.686 1.995 14 H SER 11 H SER 11 -24.155 -3.780 2.123 15 HA SER 11 HA SER 11 -23.412 -3.216 4.616 16 HG SER 11 HG SER 11 -20.951 -4.784 4.914 17 HA PRO 12 HA PRO 12 -21.357 -2.056 1.301 18 H ARG 13 H ARG 13 -19.754 -3.442 0.552 19 HA ARG 13 HA ARG 13 -18.652 -5.311 2.252 20 HE ARG 13 HE ARG 13 -17.951 -8.209 -0.781 21 1HH1 ARG 13 1HH1 ARG 13 -17.463 -9.278 2.496 22 1HH2 ARG 13 1HH2 ARG 13 -19.007 -10.203 -1.108 23 H ASP 14 H ASP 14 -16.483 -5.791 2.762 24 HA ASP 14 HA ASP 14 -14.909 -3.365 3.295 25 H ILE 15 H ILE 15 -12.511 -4.245 3.852 26 HA ILE 15 HA ILE 15 -11.654 -5.877 1.555 27 HB ILE 15 HB ILE 15 -11.198 -3.549 1.035 28 H ASP 16 H ASP 16 -9.822 -7.159 1.868 29 HA ASP 16 HA ASP 16 -9.394 -7.936 4.617 30 H ASN 17 H ASN 17 -7.464 -6.598 1.969 31 HA ASN 17 HA ASN 17 -5.211 -6.270 3.822 32 H GLY 18 H GLY 18 -7.430 -4.593 4.146 33 H GLN 19 H GLN 19 -8.100 -0.272 4.242 34 HA GLN 19 HA GLN 19 -10.244 -1.308 5.946 35 H LEU 20 H LEU 20 -12.161 -0.233 5.742 36 HA LEU 20 HA LEU 20 -12.383 1.606 3.542 37 HG LEU 20 HG LEU 20 -14.272 0.591 2.305 38 H ASP 21 H ASP 21 -13.307 3.647 3.604 39 HA ASP 21 HA ASP 21 -13.460 4.930 6.251 40 H ILE 22 H ILE 22 -15.689 4.095 6.018 41 HA ILE 22 HA ILE 22 -17.417 5.031 3.984 42 HB ILE 22 HB ILE 22 -18.457 4.254 6.679 43 H GLY 23 H GLY 23 -17.478 7.204 3.737 44 H GLY 24 H GLY 24 -19.937 6.951 4.395 45 H VAL 25 H VAL 25 -23.923 6.546 4.659 46 HA VAL 25 HA VAL 25 -23.431 4.734 2.390 47 HB VAL 25 HB VAL 25 -24.932 3.133 3.613 48 H ASP 26 H ASP 26 -24.850 7.362 2.432 49 HA ASP 26 HA ASP 26 -27.583 6.504 1.796 50 H PHE 27 H PHE 27 -28.504 6.821 -0.196 51 HA PHE 27 HA PHE 27 -27.014 6.555 -2.488 52 HD1 PHE 27 HD1 PHE 27 -27.306 6.543 -4.611 53 HD2 PHE 27 HD2 PHE 27 -31.056 8.443 -3.943 54 HE1 PHE 27 HE1 PHE 27 -27.478 7.045 -7.015 55 HE2 PHE 27 HE2 PHE 27 -31.231 8.951 -6.344 56 HZ PHE 27 HZ PHE 27 -29.440 8.254 -7.882 57 H GLY 28 H GLY 28 -25.283 7.888 -2.638 58 H SER 29 H SER 29 -24.136 8.485 -1.206 59 HA SER 29 HA SER 29 -22.012 10.380 -0.561 60 HG SER 29 HG SER 29 -21.466 10.333 1.516 61 H SER 30 H SER 30 -20.131 8.512 0.406 62 HA SER 30 HA SER 30 -19.495 6.564 -1.558 63 HG SER 30 HG SER 30 -17.480 9.936 -1.522 64 H ILE 31 H ILE 31 -17.657 5.362 -1.058 65 HA ILE 31 HA ILE 31 -16.700 5.779 1.689 66 HB ILE 31 HB ILE 31 -16.081 3.206 0.388 67 H THR 32 H THR 32 -14.418 5.194 2.103 68 HA THR 32 HA THR 32 -12.720 5.643 -0.258 69 HB THR 32 HB THR 32 -11.929 6.671 2.447 70 HG1 THR 32 HG1 THR 32 -13.954 7.606 1.962 71 H TYR 33 H TYR 33 -11.558 3.885 -0.618 72 HA TYR 33 HA TYR 33 -11.012 2.058 1.568 73 HD1 TYR 33 HD1 TYR 33 -13.392 2.299 -0.475 74 HD2 TYR 33 HD2 TYR 33 -11.088 -1.242 -0.026 75 HE1 TYR 33 HE1 TYR 33 -15.464 1.003 -0.163 76 HE2 TYR 33 HE2 TYR 33 -13.147 -2.557 0.282 77 HH TYR 33 HH TYR 33 -15.445 -2.254 0.924 78 H SER 34 H SER 34 -8.999 1.263 2.112 79 HA SER 34 HA SER 34 -6.615 2.448 0.961 80 HG SER 34 HG SER 34 -5.387 4.434 2.473 81 H CYS 35 H CYS 35 -4.738 1.263 1.406 82 HA CYS 35 HA CYS 35 -5.166 -1.460 2.117 83 H ASN 36 H ASN 36 -3.713 -2.565 3.759 84 HA ASN 36 HA ASN 36 -4.269 -1.469 6.319 85 H SER 37 H SER 37 -1.054 -2.691 5.528 86 HA SER 37 HA SER 37 0.171 -0.101 5.920 87 HG SER 37 HG SER 37 0.260 -0.396 9.323 88 H GLY 38 H GLY 38 2.042 0.061 4.825 89 H TYR 39 H TYR 39 1.010 -0.906 2.701 90 HA TYR 39 HA TYR 39 1.474 -2.860 0.543 91 HD1 TYR 39 HD1 TYR 39 1.497 -4.186 2.535 92 HD2 TYR 39 HD2 TYR 39 -2.294 -4.698 0.677 93 HE1 TYR 39 HE1 TYR 39 1.656 -6.613 2.893 94 HE2 TYR 39 HE2 TYR 39 -2.145 -7.127 1.027 95 HH TYR 39 HH TYR 39 0.077 -8.553 3.097 96 H HIS 40 H HIS 40 0.034 -2.382 -1.415 97 HA HIS 40 HA HIS 40 -0.276 0.494 -1.846 98 HD1 HIS 40 HD1 HIS 40 1.336 -0.591 -6.112 99 HD2 HIS 40 HD2 HIS 40 0.769 -3.374 -3.081 100 HE1 HIS 40 HE1 HIS 40 1.359 -2.835 -7.247 101 HE2 HIS 40 HE2 HIS 40 1.014 -4.506 -5.393 102 H LEU 41 H LEU 41 -2.323 0.813 -2.288 103 HA LEU 41 HA LEU 41 -4.010 -1.289 -3.289 104 HG LEU 41 HG LEU 41 -6.362 -0.285 -3.855 105 H ILE 42 H ILE 42 -4.389 -1.703 -5.360 106 HA ILE 42 HA ILE 42 -3.544 0.255 -7.358 107 HB ILE 42 HB ILE 42 -4.549 -2.439 -8.143 108 H GLY 43 H GLY 43 -4.857 0.700 -9.216 109 H GLU 44 H GLU 44 -9.357 1.161 -8.479 110 HA GLU 44 HA GLU 44 -9.085 3.947 -7.729 111 H SER 45 H SER 45 -10.593 4.318 -5.587 112 HA SER 45 HA SER 45 -10.024 2.497 -3.435 113 HG SER 45 HG SER 45 -7.653 3.920 -1.556 114 H LYS 46 H LYS 46 -12.274 3.905 -4.745 115 HA LYS 46 HA LYS 46 -13.514 4.843 -2.301 116 H SER 47 H SER 47 -15.555 4.201 -2.170 117 HA SER 47 HA SER 47 -16.812 3.079 -4.571 118 HG SER 47 HG SER 47 -18.995 1.605 -1.875 119 H TYR 48 H TYR 48 -19.131 3.426 -4.883 120 HA TYR 48 HA TYR 48 -20.024 5.937 -3.600 121 HD1 TYR 48 HD1 TYR 48 -17.939 7.036 -4.516 122 HD2 TYR 48 HD2 TYR 48 -19.210 5.293 -8.177 123 HE1 TYR 48 HE1 TYR 48 -15.652 7.241 -5.397 124 HE2 TYR 48 HE2 TYR 48 -16.929 5.485 -9.074 125 HH TYR 48 HH TYR 48 -14.908 6.761 -8.708 126 H CYS 49 H CYS 49 -21.891 5.794 -2.664 127 HA CYS 49 HA CYS 49 -23.584 3.509 -3.011 128 H GLU 50 H GLU 50 -24.115 3.700 -5.204 129 HA GLU 50 HA GLU 50 -25.840 5.969 -5.915 130 H LEU 51 H LEU 51 -27.430 5.161 -7.798 131 HA LEU 51 HA LEU 51 -29.254 3.363 -6.432 132 HG LEU 51 HG LEU 51 -29.002 4.382 -9.860 133 H GLY 52 H GLY 52 -30.057 1.451 -7.258 134 H SER 53 H SER 53 -31.255 -1.125 -9.801 135 HA SER 53 HA SER 53 -31.185 0.253 -12.398 136 HG SER 53 HG SER 53 -31.263 -1.999 -14.201 137 H THR 54 H THR 54 -33.357 -0.857 -9.839 138 HA THR 54 HA THR 54 -35.506 0.775 -11.004 139 HB THR 54 HB THR 54 -36.638 -0.648 -8.924 140 HG1 THR 54 HG1 THR 54 -34.865 -2.391 -10.276 141 H GLY 55 H GLY 55 -33.477 2.157 -9.749 142 H SER 56 H SER 56 -32.862 0.909 -7.570 143 HA SER 56 HA SER 56 -33.269 0.725 -4.753 144 HG SER 56 HG SER 56 -32.513 -1.291 -3.929 145 H MET 57 H MET 57 -30.806 -0.273 -3.853 146 HA MET 57 HA MET 57 -29.091 2.108 -3.958 147 H VAL 58 H VAL 58 -27.220 1.663 -4.823 148 HA VAL 58 HA VAL 58 -26.049 -1.000 -4.404 149 HB VAL 58 HB VAL 58 -24.979 -0.577 -6.729 150 H TRP 59 H TRP 59 -23.709 -1.050 -4.730 151 HA TRP 59 HA TRP 59 -22.477 1.468 -3.843 152 HD1 TRP 59 HD1 TRP 59 -23.549 -1.662 -1.125 153 HE1 TRP 59 HE1 TRP 59 -23.965 -0.336 1.052 154 HE3 TRP 59 HE3 TRP 59 -20.704 2.452 -2.133 155 HZ2 TRP 59 HZ2 TRP 59 -23.161 2.111 2.186 156 HZ3 TRP 59 HZ3 TRP 59 -20.561 4.246 -0.444 157 HH2 TRP 59 HH2 TRP 59 -21.779 4.088 1.649 158 H ASN 60 H ASN 60 -21.194 2.392 -5.295 159 HA ASN 60 HA ASN 60 -20.210 1.011 -7.603 160 HA PRO 61 HA PRO 61 -16.149 -0.580 -7.184 161 H GLU 62 H GLU 62 -16.332 -1.299 -5.089 162 HA GLU 62 HA GLU 62 -15.668 0.516 -2.927 163 H ALA 63 H ALA 63 -14.737 -2.877 -3.527 164 HA ALA 63 HA ALA 63 -12.294 -2.372 -2.032 165 HA PRO 64 HA PRO 64 -10.573 -2.550 -6.387 166 H ILE 65 H ILE 65 -7.719 -2.437 -6.256 167 HA ILE 65 HA ILE 65 -7.184 -5.054 -5.102 168 HB ILE 65 HB ILE 65 -5.181 -3.477 -6.646 169 H CYS 66 H CYS 66 -5.058 -5.407 -4.064 170 HA CYS 66 HA CYS 66 -3.677 -3.230 -2.842 171 H GLU 67 H GLU 67 -1.659 -3.849 -2.270 172 HA GLU 67 HA GLU 67 -1.071 -6.606 -1.609 173 H SER 68 H SER 68 1.452 -6.815 -1.403 174 HA SER 68 HA SER 68 2.269 -4.680 0.372 175 HG SER 68 HG SER 68 5.030 -7.162 -0.317 176 H VAL 69 H VAL 69 3.501 -3.048 -0.168 177 HA VAL 69 HA VAL 69 4.432 -2.526 -2.725 178 HB VAL 69 HB VAL 69 6.006 -0.879 -1.496 179 H LYS 70 H LYS 70 5.671 -4.120 -3.641 180 HA LYS 70 HA LYS 70 7.918 -5.282 -2.299 181 H CYS 71 H CYS 71 9.910 -4.508 -2.155 182 HA CYS 71 HA CYS 71 10.729 -2.343 -3.974 183 H GLN 72 H GLN 72 12.241 -2.726 -5.445 184 HA GLN 72 HA GLN 72 13.380 -5.345 -5.676 185 H SER 73 H SER 73 15.923 -4.346 -6.819 186 HA SER 73 HA SER 73 17.575 -4.699 -4.634 187 HG SER 73 HG SER 73 19.916 -2.844 -6.918 188 HA PRO 74 HA PRO 74 17.399 -0.874 -2.414 189 HA PRO 75 HA PRO 75 18.947 2.512 -4.739 190 H SER 76 H SER 76 20.830 3.353 -5.724 191 HA SER 76 HA SER 76 23.220 1.671 -5.363 192 HG SER 76 HG SER 76 22.884 3.608 -8.797 193 H ILE 77 H ILE 77 24.155 2.980 -3.784 194 HA ILE 77 HA ILE 77 24.429 5.787 -4.040 195 HB ILE 77 HB ILE 77 25.999 5.660 -2.191 196 H SER 78 H SER 78 26.610 6.864 -4.018 197 HA SER 78 HA SER 78 28.067 5.988 -6.369 198 HG SER 78 HG SER 78 27.220 9.406 -4.859 199 H ASN 79 H ASN 79 30.057 5.153 -6.410 200 HA ASN 79 HA ASN 79 32.035 4.279 -5.716 201 H GLY 80 H GLY 80 29.430 3.149 -4.983 202 H ARG 81 H ARG 81 28.105 0.039 -2.257 203 HA ARG 81 HA ARG 81 26.016 -0.144 -4.167 204 HE ARG 81 HE ARG 81 31.360 -3.625 -5.174 205 1HH1 ARG 81 1HH1 ARG 81 28.019 -4.605 -5.185 206 1HH2 ARG 81 1HH2 ARG 81 31.839 -5.830 -4.826 207 H HIS 82 H HIS 82 24.937 -2.513 -3.749 208 HA HIS 82 HA HIS 82 24.571 -2.594 -0.836 209 HD1 HIS 82 HD1 HIS 82 22.918 -5.531 -3.454 210 HD2 HIS 82 HD2 HIS 82 22.061 -1.616 -4.549 211 HE1 HIS 82 HE1 HIS 82 22.307 -5.634 -5.891 212 HE2 HIS 82 HE2 HIS 82 21.792 -3.253 -6.534 213 H ASN 83 H ASN 83 23.787 -4.845 -0.061 214 HA ASN 83 HA ASN 83 25.634 -6.851 -1.177 215 H GLY 84 H GLY 84 22.439 -6.109 -1.212 216 H TYR 85 H TYR 85 20.542 -10.308 -1.165 217 HA TYR 85 HA TYR 85 22.174 -11.269 -3.411 218 HD1 TYR 85 HD1 TYR 85 21.228 -11.456 0.587 219 HD2 TYR 85 HD2 TYR 85 24.479 -12.843 -1.778 220 HE1 TYR 85 HE1 TYR 85 22.795 -10.768 2.350 221 HE2 TYR 85 HE2 TYR 85 26.058 -12.160 -0.020 222 HH TYR 85 HH TYR 85 25.591 -11.787 2.828 223 H GLU 86 H GLU 86 18.966 -10.937 -2.179 224 HA GLU 86 HA GLU 86 17.758 -12.739 -4.068 225 H ASP 87 H ASP 87 15.592 -11.423 -5.029 226 HA ASP 87 HA ASP 87 16.801 -9.378 -6.761 227 H PHE 88 H PHE 88 14.341 -9.992 -4.473 228 HA PHE 88 HA PHE 88 13.372 -7.267 -4.817 229 HD1 PHE 88 HD1 PHE 88 12.539 -9.142 -7.589 230 HD2 PHE 88 HD2 PHE 88 10.190 -6.499 -5.227 231 HE1 PHE 88 HE1 PHE 88 11.933 -7.882 -9.611 232 HE2 PHE 88 HE2 PHE 88 9.579 -5.235 -7.240 233 HZ PHE 88 HZ PHE 88 10.449 -5.922 -9.441 234 H TYR 89 H TYR 89 11.829 -6.685 -3.003 235 HA TYR 89 HA TYR 89 12.269 -8.133 -0.520 236 HD1 TYR 89 HD1 TYR 89 14.619 -6.012 -2.754 237 HD2 TYR 89 HD2 TYR 89 14.994 -7.447 1.235 238 HE1 TYR 89 HE1 TYR 89 16.911 -6.756 -3.244 239 HE2 TYR 89 HE2 TYR 89 17.289 -8.191 0.756 240 HH TYR 89 HH TYR 89 18.573 -8.890 -1.450 241 H THR 90 H THR 90 11.000 -7.102 1.296 242 HA THR 90 HA THR 90 8.623 -5.722 0.237 243 HB THR 90 HB THR 90 7.423 -7.037 2.147 244 HG1 THR 90 HG1 THR 90 9.542 -8.828 1.593 245 H ASP 91 H ASP 91 7.221 -5.067 2.324 246 HA ASP 91 HA ASP 91 8.684 -2.987 3.556 247 H GLY 92 H GLY 92 10.322 -3.666 4.768 248 H SER 93 H SER 93 11.963 -4.615 4.587 249 HA SER 93 HA SER 93 13.609 -6.875 5.494 250 HG SER 93 HG SER 93 11.688 -7.335 3.569 251 H VAL 94 H VAL 94 15.956 -6.705 5.139 252 HA VAL 94 HA VAL 94 16.910 -3.932 5.138 253 HB VAL 94 HB VAL 94 17.772 -6.067 7.091 254 H VAL 95 H VAL 95 19.127 -3.659 4.597 255 HA VAL 95 HA VAL 95 20.577 -5.902 3.463 256 HB VAL 95 HB VAL 95 19.953 -3.516 1.726 257 H THR 96 H THR 96 22.790 -5.462 3.174 258 HA THR 96 HA THR 96 23.673 -3.023 4.545 259 HB THR 96 HB THR 96 25.897 -4.660 4.278 260 HG1 THR 96 HG1 THR 96 25.231 -6.691 4.870 261 H TYR 97 H TYR 97 25.066 -1.629 3.619 262 HA TYR 97 HA TYR 97 25.440 -1.925 0.743 263 HD1 TYR 97 HD1 TYR 97 23.075 -1.269 1.636 264 HD2 TYR 97 HD2 TYR 97 25.080 2.017 -0.168 265 HE1 TYR 97 HE1 TYR 97 21.053 -0.760 0.342 266 HE2 TYR 97 HE2 TYR 97 23.059 2.545 -1.465 267 HH TYR 97 HH TYR 97 20.323 1.929 -0.938 268 H SER 98 H SER 98 27.486 -1.314 -0.232 269 HA SER 98 HA SER 98 29.825 -1.473 1.510 270 HG SER 98 HG SER 98 30.092 -4.338 -1.316 271 H CYS 99 H CYS 99 31.484 -0.263 0.800 272 HA CYS 99 HA CYS 99 31.185 1.344 -1.524 273 H ASN 100 H ASN 100 32.782 1.452 -3.296 274 HA ASN 100 HA ASN 100 33.488 -1.259 -4.157 275 H SER 101 H SER 101 35.020 1.725 -5.225 276 HA SER 101 HA SER 101 37.561 0.829 -5.482 277 HG SER 101 HG SER 101 37.936 3.658 -6.869 278 H GLY 102 H GLY 102 35.954 1.584 -2.481 279 H TYR 103 H TYR 103 35.342 2.620 -0.958 280 HA TYR 103 HA TYR 103 36.397 4.700 0.698 281 HD1 TYR 103 HD1 TYR 103 35.295 7.413 0.074 282 HD2 TYR 103 HD2 TYR 103 34.756 4.318 -2.795 283 HE1 TYR 103 HE1 TYR 103 36.156 8.901 -1.683 284 HE2 TYR 103 HE2 TYR 103 35.615 5.797 -4.561 285 HH TYR 103 HH TYR 103 36.784 7.742 -4.930 286 H SER 104 H SER 104 34.491 5.458 2.389 287 HA SER 104 HA SER 104 34.252 3.201 4.259 288 HG SER 104 HG SER 104 36.632 5.474 5.272 289 H LEU 105 H LEU 105 32.241 2.463 4.159 290 HA LEU 105 HA LEU 105 29.960 3.621 3.257 291 HG LEU 105 HG LEU 105 28.667 0.316 3.863 292 H ILE 106 H ILE 106 28.947 5.407 3.786 293 HA ILE 106 HA ILE 106 29.089 6.401 6.541 294 HB ILE 106 HB ILE 106 28.330 7.869 4.018 295 H GLY 107 H GLY 107 27.169 7.314 7.490 296 H ASN 108 H ASN 108 26.375 4.927 8.209 297 HA ASN 108 HA ASN 108 26.243 2.685 8.472 298 H SER 109 H SER 109 26.491 1.180 7.056 299 HA SER 109 HA SER 109 25.538 1.174 4.469 300 HG SER 109 HG SER 109 26.623 -2.491 5.611 301 H GLY 110 H GLY 110 24.047 -0.005 7.363 302 H VAL 111 H VAL 111 20.261 -1.658 5.337 303 HA VAL 111 HA VAL 111 19.040 1.000 5.077 304 HB VAL 111 HB VAL 111 19.062 -0.892 2.767 305 H LEU 112 H LEU 112 16.837 1.019 5.251 306 HA LEU 112 HA LEU 112 15.576 -1.555 5.836 307 HG LEU 112 HG LEU 112 12.721 -0.034 5.901 308 H CYS 113 H CYS 113 14.221 -2.504 4.479 309 HA CYS 113 HA CYS 113 13.335 -1.064 2.102 310 H SER 114 H SER 114 11.639 0.198 2.620 311 HA SER 114 HA SER 114 9.241 -1.126 3.631 312 HG SER 114 HG SER 114 8.263 -0.540 5.486 313 H GLY 115 H GLY 115 7.284 0.121 3.283 314 H GLY 116 H GLY 116 7.905 -0.587 0.567 315 H GLU 117 H GLU 117 9.773 1.261 0.077 316 HA GLU 117 HA GLU 117 11.779 1.758 -2.007 317 H TRP 118 H TRP 118 13.735 2.937 -0.763 318 HA TRP 118 HA TRP 118 14.321 1.230 1.557 319 HD1 TRP 118 HD1 TRP 118 14.863 0.702 -2.435 320 HE1 TRP 118 HE1 TRP 118 14.823 -1.843 -2.793 321 HE3 TRP 118 HE3 TRP 118 16.773 -0.786 2.065 322 HZ2 TRP 118 HZ2 TRP 118 15.506 -4.171 -1.367 323 HZ3 TRP 118 HZ3 TRP 118 17.051 -3.193 2.490 324 HH2 TRP 118 HH2 TRP 118 16.428 -4.854 0.805 325 H SER 119 H SER 119 14.629 2.246 3.399 326 HA SER 119 HA SER 119 15.165 5.130 3.346 327 HG SER 119 HG SER 119 12.403 3.516 4.342 328 H ASP 120 H ASP 120 16.662 6.051 4.799 329 HA ASP 120 HA ASP 120 18.621 6.230 5.926 330 HA PRO 121 HA PRO 121 20.741 3.725 2.450 331 HA PRO 122 HA PRO 122 24.330 5.876 3.953 332 H THR 123 H THR 123 26.751 5.906 3.096 333 HA THR 123 HA THR 123 26.823 6.641 0.265 334 HB THR 123 HB THR 123 28.353 8.488 1.936 335 HG1 THR 123 HG1 THR 123 26.829 8.993 3.262 336 H CYS 124 H CYS 124 29.395 7.597 0.142 337 HA CYS 124 HA CYS 124 31.101 5.648 1.470 338 H GLN 125 H GLN 125 32.165 7.241 2.534 339 HA GLN 125 HA GLN 125 33.657 9.157 0.875 340 H ILE 126 H ILE 126 35.756 9.763 1.671 341 HA ILE 126 HA ILE 126 37.168 7.484 2.785 342 HB ILE 126 HB ILE 126 38.248 10.083 1.695 No H/Q in entry = 342
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