NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10792 | 1qdp | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 0.250 -0.036 0.350 2 2H CYS 1 3H CYS 1 1.515 -0.556 1.312 3 3H CYS 1 2H CYS 1 1.489 1.028 0.728 4 HA CYS 1 HA CYS 1 2.632 0.410 -1.065 5 1HB CYS 1 2HB CYS 1 3.754 -1.201 0.096 6 2HB CYS 1 1HB CYS 1 2.368 -2.304 0.105 7 H ALA 2 H ALA 2 1.110 1.052 -2.564 8 HA ALA 2 HA ALA 2 -0.503 -1.095 -3.868 9 1HB ALA 2 1HB ALA 2 -1.960 0.623 -2.682 10 2HB ALA 2 3HB ALA 2 -1.173 1.888 -3.599 11 3HB ALA 2 2HB ALA 2 -2.165 0.702 -4.424 12 H LYS 3 H LYS 3 -0.903 -0.338 -6.214 13 HA LYS 3 HA LYS 3 1.570 0.953 -7.264 14 1HB LYS 3 2HB LYS 3 -0.029 -1.382 -8.393 15 2HB LYS 3 1HB LYS 3 1.209 -0.547 -9.306 16 1HG LYS 3 2HG LYS 3 2.842 -1.102 -7.389 17 2HG LYS 3 1HG LYS 3 1.579 -2.136 -6.732 18 1HD LYS 3 2HD LYS 3 1.506 -3.446 -8.835 19 2HD LYS 3 1HD LYS 3 2.702 -2.380 -9.566 20 1HE LYS 3 2HE LYS 3 4.370 -3.055 -7.835 21 2HE LYS 3 1HE LYS 3 3.190 -4.138 -7.114 22 1HZ LYS 3 2HZ LYS 3 3.346 -4.667 -9.891 23 2HZ LYS 3 1HZ LYS 3 4.916 -4.677 -9.264 24 3HZ LYS 3 3HZ LYS 3 3.736 -5.690 -8.601 25 H LYS 4 H LYS 4 1.378 2.146 -9.056 26 HA LYS 4 HA LYS 4 -0.788 3.921 -9.251 27 1HB LYS 4 2HB LYS 4 1.249 3.183 -11.449 28 2HB LYS 4 1HB LYS 4 0.340 4.680 -11.348 29 1HG LYS 4 2HG LYS 4 1.426 5.332 -9.261 30 2HG LYS 4 1HG LYS 4 2.254 3.822 -9.104 31 1HD LYS 4 2HD LYS 4 2.687 5.758 -11.403 32 2HD LYS 4 1HD LYS 4 3.605 5.811 -9.915 33 1HE LYS 4 2HE LYS 4 4.347 3.427 -10.315 34 2HE LYS 4 1HE LYS 4 3.531 3.477 -11.876 35 1HZ LYS 4 3HZ LYS 4 5.119 5.775 -11.588 36 2HZ LYS 4 2HZ LYS 4 6.094 4.468 -11.222 37 3HZ LYS 4 1HZ LYS 4 5.298 4.525 -12.739 38 H ARG 5 H ARG 5 -2.755 3.554 -10.022 39 HA ARG 5 HA ARG 5 -4.075 2.913 -12.146 40 1HB ARG 5 2HB ARG 5 -2.657 1.066 -12.753 41 2HB ARG 5 1HB ARG 5 -2.920 0.227 -11.226 42 1HG ARG 5 2HG ARG 5 -5.006 -0.582 -11.948 43 2HG ARG 5 1HG ARG 5 -5.281 0.782 -13.011 44 1HD ARG 5 2HD ARG 5 -4.606 -1.522 -14.106 45 2HD ARG 5 1HD ARG 5 -3.859 -0.050 -14.710 46 HE ARG 5 HE ARG 5 -2.488 -1.875 -12.730 47 1HH1 ARG 5 1HH2 ARG 5 -0.866 0.336 -12.758 48 2HH1 ARG 5 2HH2 ARG 5 0.100 0.263 -14.173 49 1HH2 ARG 5 2HH1 ARG 5 -2.089 -2.073 -15.688 50 2HH2 ARG 5 1HH1 ARG 5 -0.644 -1.183 -15.984 51 H ASN 6 H ASN 6 -3.600 1.260 -9.028 52 HA ASN 6 HA ASN 6 -6.582 1.593 -8.426 53 1HB ASN 6 2HB ASN 6 -4.345 -0.102 -7.108 54 2HB ASN 6 1HB ASN 6 -5.870 0.224 -6.312 55 1HD2 ASN 6 2HD2 ASN 6 -5.806 -2.861 -8.761 56 2HD2 ASN 6 1HD2 ASN 6 -4.406 -2.171 -8.084 57 H TRP 7 H TRP 7 -7.032 3.246 -7.163 58 HA TRP 7 HA TRP 7 -4.682 4.866 -6.474 59 1HB TRP 7 2HB TRP 7 -6.172 6.574 -5.880 60 2HB TRP 7 1HB TRP 7 -6.604 6.030 -7.481 61 HD1 TRP 7 HD1 TRP 7 -7.845 4.904 -4.032 62 HE1 TRP 7 HE1 TRP 7 -10.356 5.423 -3.832 63 HE3 TRP 7 HE3 TRP 7 -8.545 6.864 -8.595 64 HZ2 TRP 7 HZ2 TRP 7 -12.250 6.374 -5.375 65 HZ3 TRP 7 HZ3 TRP 7 -10.821 7.587 -9.245 66 HH2 TRP 7 HH2 TRP 7 -12.702 7.350 -7.633 67 H CYS 8 H CYS 8 -4.925 6.128 -4.535 68 HA CYS 8 HA CYS 8 -5.200 4.363 -2.149 69 1HB CYS 8 2HB CYS 8 -3.417 6.176 -1.415 70 2HB CYS 8 1HB CYS 8 -2.982 4.821 -2.414 71 H GLY 9 H GLY 9 -6.211 7.305 -3.586 72 1HA GLY 9 2HA GLY 9 -8.139 8.589 -2.858 73 2HA GLY 9 1HA GLY 9 -8.018 7.814 -1.283 74 H LYS 10 H LYS 10 -5.699 8.021 -0.468 75 HA LYS 10 HA LYS 10 -4.530 10.738 -0.646 76 1HB LYS 10 2HB LYS 10 -4.458 10.743 1.889 77 2HB LYS 10 1HB LYS 10 -6.127 10.701 1.316 78 1HG LYS 10 2HG LYS 10 -6.149 8.186 1.558 79 2HG LYS 10 1HG LYS 10 -4.477 8.211 1.928 80 1HD LYS 10 2HD LYS 10 -5.543 7.841 3.853 81 2HD LYS 10 1HD LYS 10 -4.758 9.423 3.920 82 1HE LYS 10 2HE LYS 10 -6.910 10.538 3.825 83 2HE LYS 10 1HE LYS 10 -7.743 8.991 3.648 84 1HZ LYS 10 2HZ LYS 10 -5.960 8.802 5.834 85 2HZ LYS 10 1HZ LYS 10 -6.825 10.207 6.055 86 3HZ LYS 10 3HZ LYS 10 -7.628 8.710 5.887 87 H ASN 11 H ASN 11 -2.468 10.826 0.297 88 HA ASN 11 HA ASN 11 -0.900 8.590 -0.646 89 1HB ASN 11 2HB ASN 11 1.036 10.017 0.314 90 2HB ASN 11 1HB ASN 11 0.019 10.815 -0.877 91 1HD2 ASN 11 2HD2 ASN 11 -0.274 12.092 2.968 92 2HD2 ASN 11 1HD2 ASN 11 0.692 10.728 2.655 93 H GLU 12 H GLU 12 -2.486 7.525 1.343 94 HA GLU 12 HA GLU 12 -0.641 7.258 3.691 95 1HB GLU 12 2HB GLU 12 -3.609 6.614 3.361 96 2HB GLU 12 1HB GLU 12 -2.670 5.874 4.634 97 1HG GLU 12 2HG GLU 12 -1.914 8.027 5.480 98 2HG GLU 12 1HG GLU 12 -2.764 8.886 4.219 99 H ASP 13 H ASP 13 -2.388 5.140 1.367 100 HA ASP 13 HA ASP 13 -0.417 3.036 2.192 101 1HB ASP 13 2HB ASP 13 -2.833 2.473 2.699 102 2HB ASP 13 1HB ASP 13 -3.142 2.450 0.966 103 H CYS 14 H CYS 14 1.000 4.113 0.488 104 HA CYS 14 HA CYS 14 0.549 2.732 -2.151 105 1HB CYS 14 2HB CYS 14 1.502 5.507 -1.495 106 2HB CYS 14 1HB CYS 14 2.210 4.721 -2.874 107 H CYS 15 H CYS 15 2.526 2.225 -3.293 108 HA CYS 15 HA CYS 15 4.641 1.285 -1.393 109 1HB CYS 15 2HB CYS 15 3.175 -0.075 -3.349 110 2HB CYS 15 1HB CYS 15 4.559 0.415 -4.233 111 H CYS 16 H CYS 16 5.501 3.231 -1.220 112 HA CYS 16 HA CYS 16 6.047 5.288 -2.894 113 1HB CYS 16 2HB CYS 16 8.230 5.467 -1.478 114 2HB CYS 16 1HB CYS 16 6.667 5.656 -0.736 115 HA PRO 17 HA PRO 17 7.440 6.814 -3.021 116 1HB PRO 17 2HB PRO 17 8.927 8.458 -4.311 117 2HB PRO 17 1HB PRO 17 9.733 7.174 -3.378 118 1HG PRO 17 2HG PRO 17 9.140 7.211 -6.401 119 2HG PRO 17 1HG PRO 17 10.657 6.788 -5.610 120 1HD PRO 17 2HD PRO 17 8.606 4.906 -6.300 121 2HD PRO 17 1HD PRO 17 9.921 4.576 -5.159 122 H MET 18 H MET 18 5.395 6.827 -3.455 123 HA MET 18 HA MET 18 4.442 8.226 -5.868 124 1HB MET 18 2HB MET 18 3.794 5.535 -4.941 125 2HB MET 18 1HB MET 18 2.355 6.506 -5.039 126 1HG MET 18 2HG MET 18 2.291 6.016 -7.255 127 2HG MET 18 1HG MET 18 3.666 7.062 -7.414 128 1HE MET 18 1HE MET 18 2.551 3.907 -6.438 129 2HE MET 18 3HE MET 18 3.697 2.691 -7.021 130 3HE MET 18 2HE MET 18 4.121 3.709 -5.627 131 H LYS 19 H LYS 19 2.707 9.382 -5.504 132 HA LYS 19 HA LYS 19 1.911 9.747 -2.590 133 1HB LYS 19 2HB LYS 19 3.489 11.553 -3.771 134 2HB LYS 19 1HB LYS 19 2.048 12.049 -4.618 135 1HG LYS 19 2HG LYS 19 2.195 11.916 -1.582 136 2HG LYS 19 1HG LYS 19 2.691 13.336 -2.450 137 1HD LYS 19 2HD LYS 19 0.404 13.589 -3.419 138 2HD LYS 19 1HD LYS 19 -0.133 12.184 -2.557 139 1HE LYS 19 2HE LYS 19 0.663 13.404 -0.383 140 2HE LYS 19 1HE LYS 19 0.719 14.828 -1.402 141 1HZ LYS 19 3HZ LYS 19 -1.759 13.573 -1.874 142 2HZ LYS 19 2HZ LYS 19 -1.525 13.597 -0.207 143 3HZ LYS 19 1HZ LYS 19 -1.461 15.049 -1.075 144 H CYS 20 H CYS 20 -0.610 10.452 -2.484 145 HA CYS 20 HA CYS 20 -1.841 9.160 -4.782 146 1HB CYS 20 2HB CYS 20 -2.460 9.287 -2.214 147 2HB CYS 20 1HB CYS 20 -3.476 10.614 -2.745 148 H ILE 21 H ILE 21 -3.046 10.284 -6.245 149 HA ILE 21 HA ILE 21 -2.664 13.191 -6.429 150 HB ILE 21 HB ILE 21 -2.615 10.916 -8.449 151 1HG1 ILE 21 2HG1 ILE 21 -0.553 11.317 -7.315 152 2HG1 ILE 21 1HG1 ILE 21 -0.425 11.983 -8.944 153 1HG2 ILE 21 1HG2 ILE 21 -2.560 13.838 -9.301 154 2HG2 ILE 21 3HG2 ILE 21 -2.241 12.429 -10.296 155 3HG2 ILE 21 2HG2 ILE 21 -3.844 12.676 -9.644 156 1HD1 ILE 21 2HD1 ILE 21 -0.946 13.750 -6.499 157 2HD1 ILE 21 1HD1 ILE 21 0.481 13.393 -7.292 158 3HD1 ILE 21 3HD1 ILE 21 -0.741 14.265 -8.173 159 H TYR 22 H TYR 22 -3.856 14.361 -7.844 160 HA TYR 22 HA TYR 22 -6.722 13.667 -7.639 161 1HB TYR 22 2HB TYR 22 -5.235 16.182 -6.848 162 2HB TYR 22 1HB TYR 22 -6.981 15.986 -6.603 163 HD1 TYR 22 HD1 TYR 22 -7.636 13.748 -5.204 164 HD2 TYR 22 HD2 TYR 22 -3.745 15.475 -5.291 165 HE1 TYR 22 HE1 TYR 22 -7.006 12.457 -3.258 166 HE2 TYR 22 HE2 TYR 22 -3.103 14.182 -3.354 167 HH TYR 22 HH TYR 22 -5.467 11.928 -1.890 168 H ALA 23 H ALA 23 -8.133 15.023 -8.746 169 HA ALA 23 HA ALA 23 -7.135 16.105 -11.341 170 1HB ALA 23 2HB ALA 23 -9.572 14.311 -10.821 171 2HB ALA 23 1HB ALA 23 -9.151 14.991 -12.393 172 3HB ALA 23 3HB ALA 23 -8.105 13.808 -11.631 173 H TRP 24 H TRP 24 -10.540 15.963 -10.600 174 HA TRP 24 HA TRP 24 -10.461 18.798 -9.603 175 1HB TRP 24 2HB TRP 24 -12.043 19.539 -11.211 176 2HB TRP 24 1HB TRP 24 -10.948 18.553 -12.148 177 HD1 TRP 24 HD1 TRP 24 -12.078 16.238 -13.258 178 HE1 TRP 24 HE1 TRP 24 -14.452 15.405 -13.365 179 HE3 TRP 24 HE3 TRP 24 -14.064 19.462 -9.989 180 HZ2 TRP 24 HZ2 TRP 24 -16.891 16.044 -12.159 181 HZ3 TRP 24 HZ3 TRP 24 -16.440 19.342 -9.447 182 HH2 TRP 24 HH2 TRP 24 -17.885 17.623 -10.542 183 H TYR 25 H TYR 25 -12.745 16.140 -10.112 184 HA TYR 25 HA TYR 25 -14.786 16.833 -8.412 185 1HB TYR 25 2HB TYR 25 -15.154 14.315 -8.114 186 2HB TYR 25 1HB TYR 25 -15.090 14.902 -9.763 187 HD1 TYR 25 HD1 TYR 25 -13.049 14.484 -11.160 188 HD2 TYR 25 HD2 TYR 25 -13.430 12.883 -7.238 189 HE1 TYR 25 HE1 TYR 25 -11.184 12.955 -11.598 190 HE2 TYR 25 HE2 TYR 25 -11.564 11.359 -7.679 191 HH TYR 25 HH TYR 25 -10.558 10.395 -10.265 192 H ASN 26 H ASN 26 -11.768 15.391 -7.408 193 HA ASN 26 HA ASN 26 -10.756 15.115 -5.312 194 1HB ASN 26 2HB ASN 26 -12.854 17.255 -4.691 195 2HB ASN 26 1HB ASN 26 -11.941 16.570 -3.374 196 1HD2 ASN 26 2HD2 ASN 26 -10.089 19.137 -5.858 197 2HD2 ASN 26 1HD2 ASN 26 -11.700 18.682 -6.188 198 H GLN 27 H GLN 27 -11.506 14.612 -2.895 199 HA GLN 27 HA GLN 27 -12.843 13.356 -1.347 200 1HB GLN 27 2HB GLN 27 -14.150 12.001 -3.809 201 2HB GLN 27 1HB GLN 27 -14.569 11.719 -2.143 202 1HG GLN 27 2HG GLN 27 -15.334 14.037 -1.838 203 2HG GLN 27 1HG GLN 27 -14.875 14.442 -3.481 204 1HE2 GLN 27 2HE2 GLN 27 -18.034 13.457 -4.617 205 2HE2 GLN 27 1HE2 GLN 27 -16.746 14.563 -4.725 206 H GLN 28 H GLN 28 -11.734 12.000 -4.329 207 HA GLN 28 HA GLN 28 -10.116 9.978 -2.836 208 1HB GLN 28 2HB GLN 28 -11.629 9.674 -5.484 209 2HB GLN 28 1HB GLN 28 -10.478 8.499 -4.885 210 1HG GLN 28 2HG GLN 28 -12.903 9.419 -3.238 211 2HG GLN 28 1HG GLN 28 -12.913 7.973 -4.218 212 1HE2 GLN 28 2HE2 GLN 28 -10.993 7.927 -0.673 213 2HE2 GLN 28 1HE2 GLN 28 -11.764 9.343 -1.214 214 H GLY 29 H GLY 29 -8.408 9.076 -4.510 215 1HA GLY 29 2HA GLY 29 -7.302 11.202 -6.160 216 2HA GLY 29 1HA GLY 29 -6.316 10.736 -4.768 217 H SER 30 H SER 30 -4.699 10.080 -6.364 218 HA SER 30 HA SER 30 -5.098 7.264 -7.292 219 1HB SER 30 2HB SER 30 -5.612 8.255 -9.281 220 2HB SER 30 1HB SER 30 -4.444 9.582 -9.070 221 HG SER 30 HG SER 30 -2.779 8.110 -9.489 222 H CYS 31 H CYS 31 -3.181 5.890 -7.189 223 HA CYS 31 HA CYS 31 -0.969 7.190 -5.773 224 1HB CYS 31 2HB CYS 31 -1.798 4.597 -5.754 225 2HB CYS 31 1HB CYS 31 -0.748 4.491 -7.119 226 H GLN 32 H GLN 32 0.378 8.506 -6.902 227 HA GLN 32 HA GLN 32 1.283 7.689 -9.626 228 1HB GLN 32 2HB GLN 32 -0.582 9.591 -9.501 229 2HB GLN 32 1HB GLN 32 0.776 10.500 -8.856 230 1HG GLN 32 2HG GLN 32 0.474 10.866 -11.337 231 2HG GLN 32 1HG GLN 32 2.068 10.257 -10.919 232 1HE2 GLN 32 2HE2 GLN 32 -0.542 7.852 -12.953 233 2HE2 GLN 32 1HE2 GLN 32 -1.121 9.249 -12.179 234 H THR 33 H THR 33 3.274 8.131 -10.197 235 HA THR 33 HA THR 33 4.915 8.496 -7.879 236 HB THR 33 HB THR 33 6.636 8.577 -10.279 237 HG1 THR 33 HG1 THR 33 5.179 8.004 -11.628 238 1HG2 THR 33 3HG2 THR 33 5.674 6.396 -8.555 239 2HG2 THR 33 2HG2 THR 33 7.127 6.362 -9.581 240 3HG2 THR 33 1HG2 THR 33 6.990 7.516 -8.253 241 H THR 34 H THR 34 3.829 10.790 -7.758 242 HA THR 34 HA THR 34 5.970 12.485 -8.685 243 HB THR 34 HB THR 34 4.220 12.529 -10.649 244 HG1 THR 34 HG1 THR 34 4.381 14.659 -10.823 245 1HG2 THR 34 3HG2 THR 34 2.398 13.586 -8.422 246 2HG2 THR 34 2HG2 THR 34 1.924 13.366 -10.101 247 3HG2 THR 34 1HG2 THR 34 2.293 11.972 -9.096 248 H ILE 35 H ILE 35 5.397 14.788 -8.409 249 HA ILE 35 HA ILE 35 5.274 16.626 -7.012 250 HB ILE 35 HB ILE 35 3.008 15.213 -6.293 251 1HG1 ILE 35 2HG1 ILE 35 3.187 17.676 -6.251 252 2HG1 ILE 35 1HG1 ILE 35 2.336 17.077 -4.852 253 1HG2 ILE 35 2HG2 ILE 35 4.570 15.274 -3.709 254 2HG2 ILE 35 1HG2 ILE 35 2.848 14.985 -3.865 255 3HG2 ILE 35 3HG2 ILE 35 3.986 13.822 -4.480 256 1HD1 ILE 35 2HD1 ILE 35 5.283 17.938 -4.882 257 2HD1 ILE 35 1HD1 ILE 35 3.951 18.863 -4.215 258 3HD1 ILE 35 3HD1 ILE 35 4.426 17.352 -3.468 259 H THR 36 H THR 36 5.597 13.664 -5.305 260 HA THR 36 HA THR 36 8.389 14.181 -4.463 261 HB THR 36 HB THR 36 7.707 13.118 -2.159 262 HG1 THR 36 HG1 THR 36 5.148 13.880 -2.366 263 1HG2 THR 36 2HG2 THR 36 6.352 15.815 -2.781 264 2HG2 THR 36 1HG2 THR 36 6.693 15.173 -1.182 265 3HG2 THR 36 3HG2 THR 36 8.003 15.621 -2.253 266 H GLY 37 H GLY 37 6.347 12.277 -6.139 267 1HA GLY 37 2HA GLY 37 7.342 9.736 -5.115 268 2HA GLY 37 1HA GLY 37 6.335 9.953 -6.549 269 H LEU 38 H LEU 38 9.449 11.085 -5.550 270 HA LEU 38 HA LEU 38 10.837 9.521 -7.577 271 1HB LEU 38 2HB LEU 38 9.843 11.357 -8.885 272 2HB LEU 38 1HB LEU 38 10.510 12.549 -7.812 273 HG LEU 38 HG LEU 38 12.288 10.581 -9.384 274 1HD1 LEU 38 1HD1 LEU 38 10.774 11.748 -10.991 275 2HD1 LEU 38 3HD1 LEU 38 11.256 13.307 -10.345 276 3HD1 LEU 38 2HD1 LEU 38 12.425 12.302 -11.183 277 1HD2 LEU 38 1HD2 LEU 38 12.832 13.443 -8.410 278 2HD2 LEU 38 3HD2 LEU 38 13.432 11.998 -7.611 279 3HD2 LEU 38 2HD2 LEU 38 13.977 12.395 -9.218 280 H PHE 39 H PHE 39 11.191 12.508 -5.663 281 HA PHE 39 HA PHE 39 13.833 11.479 -4.742 282 1HB PHE 39 2HB PHE 39 14.159 13.837 -3.944 283 2HB PHE 39 1HB PHE 39 13.814 13.756 -5.661 284 HD1 PHE 39 HD1 PHE 39 12.438 14.649 -2.352 285 HD2 PHE 39 HD2 PHE 39 11.696 14.594 -6.552 286 HE1 PHE 39 HE1 PHE 39 10.503 16.121 -2.033 287 HE2 PHE 39 HE2 PHE 39 9.757 16.067 -6.220 288 HZ PHE 39 HZ PHE 39 9.159 16.832 -3.982 289 H LYS 40 H LYS 40 11.154 10.559 -3.750 290 HA LYS 40 HA LYS 40 11.499 11.182 -0.826 291 1HB LYS 40 2HB LYS 40 9.293 11.668 -1.951 292 2HB LYS 40 1HB LYS 40 9.084 9.987 -2.360 293 1HG LYS 40 2HG LYS 40 9.144 11.137 0.493 294 2HG LYS 40 1HG LYS 40 7.704 10.772 -0.425 295 1HD LYS 40 2HD LYS 40 7.789 8.820 0.736 296 2HD LYS 40 1HD LYS 40 8.753 8.365 -0.648 297 1HE LYS 40 2HE LYS 40 10.814 9.215 0.901 298 2HE LYS 40 1HE LYS 40 9.629 8.992 2.164 299 1HZ LYS 40 3HZ LYS 40 9.473 6.684 0.631 300 2HZ LYS 40 2HZ LYS 40 11.111 7.038 0.755 301 3HZ LYS 40 1HZ LYS 40 10.207 6.821 2.143 302 H LYS 41 H LYS 41 13.395 9.962 -1.523 303 HA LYS 41 HA LYS 41 13.584 7.331 -2.313 304 1HB LYS 41 2HB LYS 41 15.552 8.877 -1.562 305 2HB LYS 41 1HB LYS 41 15.127 8.473 0.082 306 1HG LYS 41 2HG LYS 41 16.670 6.796 -0.166 307 2HG LYS 41 1HG LYS 41 15.349 5.923 -0.899 308 1HD LYS 41 2HD LYS 41 17.261 7.680 -2.448 309 2HD LYS 41 1HD LYS 41 17.501 5.954 -2.226 310 1HE LYS 41 2HE LYS 41 15.357 5.494 -3.440 311 2HE LYS 41 1HE LYS 41 15.076 7.229 -3.597 312 1HZ LYS 41 1HZ LYS 41 17.644 6.751 -4.502 313 2HZ LYS 41 3HZ LYS 41 16.651 5.590 -5.232 314 3HZ LYS 41 2HZ LYS 41 16.295 7.245 -5.402 315 H CYS 42 H CYS 42 12.811 5.385 -1.565 316 HA CYS 42 HA CYS 42 12.086 5.247 1.310 317 1HB CYS 42 2HB CYS 42 10.297 5.296 -0.943 318 2HB CYS 42 1HB CYS 42 10.549 3.616 -0.619 No H/Q in entry = 318 Start of MODEL 2 1 1H CYS 1 1H CYS 1 0.268 -0.870 -0.092 2 2H CYS 1 3H CYS 1 1.640 -1.531 0.621 3 3H CYS 1 2H CYS 1 1.420 0.148 0.520 4 HA CYS 1 HA CYS 1 2.521 0.146 -1.467 5 1HB CYS 1 2HB CYS 1 3.861 -1.569 -1.102 6 2HB CYS 1 1HB CYS 1 2.574 -2.735 -0.807 7 H ALA 2 H ALA 2 1.099 0.995 -2.862 8 HA ALA 2 HA ALA 2 -0.998 -0.681 -4.173 9 1HB ALA 2 2HB ALA 2 -1.791 1.421 -2.982 10 2HB ALA 2 1HB ALA 2 -0.742 2.389 -3.996 11 3HB ALA 2 3HB ALA 2 -2.089 1.526 -4.710 12 H LYS 3 H LYS 3 -0.913 -0.571 -6.554 13 HA LYS 3 HA LYS 3 1.728 0.407 -7.606 14 1HB LYS 3 2HB LYS 3 0.133 -1.967 -8.638 15 2HB LYS 3 1HB LYS 3 1.669 -1.416 -9.228 16 1HG LYS 3 2HG LYS 3 2.244 -3.293 -7.915 17 2HG LYS 3 1HG LYS 3 2.635 -1.942 -6.880 18 1HD LYS 3 2HD LYS 3 0.754 -2.262 -5.463 19 2HD LYS 3 1HD LYS 3 -0.104 -3.263 -6.611 20 1HE LYS 3 2HE LYS 3 2.533 -4.017 -5.239 21 2HE LYS 3 1HE LYS 3 0.958 -4.480 -4.614 22 1HZ LYS 3 1HZ LYS 3 1.076 -5.181 -7.348 23 2HZ LYS 3 3HZ LYS 3 2.488 -5.774 -6.598 24 3HZ LYS 3 2HZ LYS 3 0.971 -6.225 -6.010 25 H LYS 4 H LYS 4 -0.342 2.028 -7.528 26 HA LYS 4 HA LYS 4 -1.475 3.603 -8.761 27 1HB LYS 4 2HB LYS 4 -0.412 2.328 -11.347 28 2HB LYS 4 1HB LYS 4 -0.849 4.010 -11.086 29 1HG LYS 4 2HG LYS 4 1.112 4.139 -9.416 30 2HG LYS 4 1HG LYS 4 1.614 2.576 -10.044 31 1HD LYS 4 2HD LYS 4 1.511 3.664 -12.401 32 2HD LYS 4 1HD LYS 4 1.375 5.202 -11.556 33 1HE LYS 4 2HE LYS 4 3.542 4.618 -10.323 34 2HE LYS 4 1HE LYS 4 3.688 3.198 -11.341 35 1HZ LYS 4 1HZ LYS 4 3.278 5.523 -12.945 36 2HZ LYS 4 3HZ LYS 4 4.555 5.753 -11.834 37 3HZ LYS 4 2HZ LYS 4 4.591 4.451 -12.942 38 H ARG 5 H ARG 5 -3.086 3.510 -10.911 39 HA ARG 5 HA ARG 5 -4.994 2.684 -11.961 40 1HB ARG 5 2HB ARG 5 -3.871 -0.057 -11.071 41 2HB ARG 5 1HB ARG 5 -5.406 0.121 -11.893 42 1HG ARG 5 2HG ARG 5 -4.210 1.398 -13.734 43 2HG ARG 5 1HG ARG 5 -2.687 1.027 -12.940 44 1HD ARG 5 2HD ARG 5 -2.997 -1.360 -13.293 45 2HD ARG 5 1HD ARG 5 -4.666 -1.134 -13.815 46 HE ARG 5 HE ARG 5 -2.296 -0.105 -15.365 47 1HH1 ARG 5 2HH1 ARG 5 -4.624 1.084 -16.366 48 2HH1 ARG 5 1HH1 ARG 5 -5.290 -0.010 -17.515 49 1HH2 ARG 5 1HH2 ARG 5 -3.372 -2.667 -16.110 50 2HH2 ARG 5 2HH2 ARG 5 -4.523 -2.348 -17.356 51 H ASN 6 H ASN 6 -4.420 0.859 -8.997 52 HA ASN 6 HA ASN 6 -7.151 1.636 -7.964 53 1HB ASN 6 2HB ASN 6 -5.583 -0.841 -7.769 54 2HB ASN 6 1HB ASN 6 -5.474 -0.068 -6.199 55 1HD2 ASN 6 2HD2 ASN 6 -8.661 -2.181 -6.556 56 2HD2 ASN 6 1HD2 ASN 6 -7.053 -2.541 -6.975 57 H TRP 7 H TRP 7 -6.988 2.724 -5.850 58 HA TRP 7 HA TRP 7 -4.349 4.119 -5.769 59 1HB TRP 7 2HB TRP 7 -5.582 6.064 -4.971 60 2HB TRP 7 1HB TRP 7 -6.058 5.444 -6.556 61 HD1 TRP 7 HD1 TRP 7 -7.411 4.427 -3.105 62 HE1 TRP 7 HE1 TRP 7 -9.880 4.922 -3.054 63 HE3 TRP 7 HE3 TRP 7 -7.838 6.388 -7.692 64 HZ2 TRP 7 HZ2 TRP 7 -11.762 5.933 -4.747 65 HZ3 TRP 7 HZ3 TRP 7 -10.059 7.129 -8.493 66 HH2 TRP 7 HH2 TRP 7 -12.035 6.903 -7.005 67 H CYS 8 H CYS 8 -4.149 5.461 -4.103 68 HA CYS 8 HA CYS 8 -3.611 3.980 -1.608 69 1HB CYS 8 2HB CYS 8 -2.617 6.455 -1.232 70 2HB CYS 8 1HB CYS 8 -1.817 5.319 -2.276 71 H GLY 9 H GLY 9 -5.184 6.768 -2.816 72 1HA GLY 9 2HA GLY 9 -7.530 7.348 -2.310 73 2HA GLY 9 1HA GLY 9 -7.248 6.817 -0.630 74 H LYS 10 H LYS 10 -4.880 7.621 -0.197 75 HA LYS 10 HA LYS 10 -4.143 10.344 -0.661 76 1HB LYS 10 2HB LYS 10 -4.314 10.836 1.857 77 2HB LYS 10 1HB LYS 10 -5.859 10.716 1.016 78 1HG LYS 10 2HG LYS 10 -5.916 8.197 1.851 79 2HG LYS 10 1HG LYS 10 -4.371 8.428 2.503 80 1HD LYS 10 2HD LYS 10 -5.560 8.558 4.444 81 2HD LYS 10 1HD LYS 10 -5.425 10.241 4.080 82 1HE LYS 10 2HE LYS 10 -7.814 8.368 3.615 83 2HE LYS 10 1HE LYS 10 -7.756 9.774 4.676 84 1HZ LYS 10 2HZ LYS 10 -6.934 10.614 2.233 85 2HZ LYS 10 1HZ LYS 10 -8.323 9.701 1.881 86 3HZ LYS 10 3HZ LYS 10 -8.409 11.033 2.941 87 H ASN 11 H ASN 11 -2.188 10.665 0.418 88 HA ASN 11 HA ASN 11 -0.176 9.048 -0.140 89 1HB ASN 11 2HB ASN 11 -0.265 11.256 1.273 90 2HB ASN 11 1HB ASN 11 -0.169 10.190 2.664 91 1HD2 ASN 11 2HD2 ASN 11 3.156 9.094 1.018 92 2HD2 ASN 11 1HD2 ASN 11 1.683 8.273 0.950 93 H GLU 12 H GLU 12 -2.262 8.239 2.563 94 HA GLU 12 HA GLU 12 -1.060 6.501 4.143 95 1HB GLU 12 2HB GLU 12 -3.687 6.438 2.739 96 2HB GLU 12 1HB GLU 12 -3.259 5.010 3.646 97 1HG GLU 12 2HG GLU 12 -4.511 6.859 4.993 98 2HG GLU 12 1HG GLU 12 -3.091 6.156 5.704 99 H ASP 13 H ASP 13 -2.137 5.025 1.020 100 HA ASP 13 HA ASP 13 0.085 3.072 1.520 101 1HB ASP 13 2HB ASP 13 -2.016 1.981 2.169 102 2HB ASP 13 1HB ASP 13 -2.634 2.194 0.533 103 H CYS 14 H CYS 14 1.522 3.261 0.071 104 HA CYS 14 HA CYS 14 0.883 2.707 -2.726 105 1HB CYS 14 2HB CYS 14 2.103 5.251 -1.672 106 2HB CYS 14 1HB CYS 14 2.663 4.608 -3.191 107 H CYS 15 H CYS 15 2.597 2.050 -3.932 108 HA CYS 15 HA CYS 15 4.757 0.755 -2.299 109 1HB CYS 15 2HB CYS 15 3.063 -0.211 -4.337 110 2HB CYS 15 1HB CYS 15 4.482 0.196 -5.222 111 H CYS 16 H CYS 16 5.620 2.748 -1.980 112 HA CYS 16 HA CYS 16 6.144 4.844 -3.577 113 1HB CYS 16 2HB CYS 16 8.232 5.121 -2.196 114 2HB CYS 16 1HB CYS 16 6.733 4.893 -1.336 115 HA PRO 17 HA PRO 17 7.622 6.412 -3.575 116 1HB PRO 17 2HB PRO 17 8.743 8.174 -5.053 117 2HB PRO 17 1HB PRO 17 9.760 6.944 -4.248 118 1HG PRO 17 2HG PRO 17 8.677 6.903 -7.147 119 2HG PRO 17 1HG PRO 17 10.355 6.717 -6.644 120 1HD PRO 17 2HD PRO 17 8.632 4.526 -7.007 121 2HD PRO 17 1HD PRO 17 10.007 4.471 -5.897 122 H MET 18 H MET 18 5.434 6.374 -3.671 123 HA MET 18 HA MET 18 4.266 7.759 -6.026 124 1HB MET 18 2HB MET 18 3.689 5.112 -5.147 125 2HB MET 18 1HB MET 18 2.403 6.111 -4.527 126 1HG MET 18 2HG MET 18 1.555 5.546 -6.560 127 2HG MET 18 1HG MET 18 2.187 7.122 -6.744 128 1HE MET 18 2HE MET 18 2.594 3.652 -6.668 129 2HE MET 18 1HE MET 18 3.439 3.083 -8.077 130 3HE MET 18 3HE MET 18 4.358 3.714 -6.696 131 H LYS 19 H LYS 19 2.758 9.211 -5.551 132 HA LYS 19 HA LYS 19 2.299 9.720 -2.582 133 1HB LYS 19 2HB LYS 19 3.734 11.549 -3.647 134 2HB LYS 19 1HB LYS 19 2.514 11.757 -4.876 135 1HG LYS 19 2HG LYS 19 2.190 13.548 -3.265 136 2HG LYS 19 1HG LYS 19 0.849 12.475 -3.096 137 1HD LYS 19 2HD LYS 19 1.902 11.534 -1.009 138 2HD LYS 19 1HD LYS 19 3.305 12.560 -1.260 139 1HE LYS 19 2HE LYS 19 1.878 14.621 -1.074 140 2HE LYS 19 1HE LYS 19 0.442 13.631 -0.876 141 1HZ LYS 19 2HZ LYS 19 2.314 12.862 1.090 142 2HZ LYS 19 1HZ LYS 19 2.178 14.550 1.125 143 3HZ LYS 19 3HZ LYS 19 0.806 13.562 1.307 144 H CYS 20 H CYS 20 -0.112 10.607 -2.335 145 HA CYS 20 HA CYS 20 -1.542 9.172 -4.402 146 1HB CYS 20 2HB CYS 20 -1.916 9.390 -1.793 147 2HB CYS 20 1HB CYS 20 -2.901 10.769 -2.273 148 H ILE 21 H ILE 21 -2.373 10.300 -6.173 149 HA ILE 21 HA ILE 21 -2.090 13.246 -6.225 150 HB ILE 21 HB ILE 21 -2.728 11.326 -8.533 151 1HG1 ILE 21 2HG1 ILE 21 -0.499 10.683 -7.837 152 2HG1 ILE 21 1HG1 ILE 21 -0.324 11.726 -9.257 153 1HG2 ILE 21 2HG2 ILE 21 -1.758 14.189 -8.627 154 2HG2 ILE 21 1HG2 ILE 21 -1.883 13.110 -10.000 155 3HG2 ILE 21 3HG2 ILE 21 -3.328 13.569 -9.157 156 1HD1 ILE 21 2HD1 ILE 21 0.217 13.611 -7.677 157 2HD1 ILE 21 1HD1 ILE 21 0.077 12.386 -6.409 158 3HD1 ILE 21 3HD1 ILE 21 1.342 12.254 -7.587 159 H TYR 22 H TYR 22 -3.831 14.297 -7.509 160 HA TYR 22 HA TYR 22 -6.496 13.155 -6.845 161 1HB TYR 22 2HB TYR 22 -5.280 15.859 -6.168 162 2HB TYR 22 1HB TYR 22 -7.015 15.542 -6.016 163 HD1 TYR 22 HD1 TYR 22 -7.735 13.567 -4.599 164 HD2 TYR 22 HD2 TYR 22 -3.727 14.977 -4.555 165 HE1 TYR 22 HE1 TYR 22 -7.320 12.295 -2.538 166 HE2 TYR 22 HE2 TYR 22 -3.322 13.696 -2.496 167 HH TYR 22 HH TYR 22 -5.606 12.724 -0.554 168 H ALA 23 H ALA 23 -5.213 15.980 -8.455 169 HA ALA 23 HA ALA 23 -5.276 16.448 -10.835 170 1HB ALA 23 1HB ALA 23 -6.682 14.314 -11.414 171 2HB ALA 23 3HB ALA 23 -8.094 15.108 -10.756 172 3HB ALA 23 2HB ALA 23 -7.310 15.744 -12.198 173 H TRP 24 H TRP 24 -8.312 17.177 -11.259 174 HA TRP 24 HA TRP 24 -8.260 19.614 -9.513 175 1HB TRP 24 2HB TRP 24 -9.805 20.570 -11.197 176 2HB TRP 24 1HB TRP 24 -8.438 19.895 -12.071 177 HD1 TRP 24 HD1 TRP 24 -9.062 17.746 -13.751 178 HE1 TRP 24 HE1 TRP 24 -11.215 16.593 -14.323 179 HE3 TRP 24 HE3 TRP 24 -11.923 19.935 -10.277 180 HZ2 TRP 24 HZ2 TRP 24 -13.859 16.607 -13.364 181 HZ3 TRP 24 HZ3 TRP 24 -14.258 19.360 -10.085 182 HH2 TRP 24 HH2 TRP 24 -15.273 17.676 -11.647 183 H TYR 25 H TYR 25 -9.919 16.744 -10.282 184 HA TYR 25 HA TYR 25 -12.450 16.972 -9.260 185 1HB TYR 25 2HB TYR 25 -10.651 14.790 -9.865 186 2HB TYR 25 1HB TYR 25 -11.370 14.431 -8.323 187 HD1 TYR 25 HD1 TYR 25 -13.930 14.387 -8.123 188 HD2 TYR 25 HD2 TYR 25 -11.936 14.700 -11.874 189 HE1 TYR 25 HE1 TYR 25 -15.983 13.729 -9.273 190 HE2 TYR 25 HE2 TYR 25 -13.964 14.038 -13.014 191 HH TYR 25 HH TYR 25 -16.199 13.662 -12.801 192 H ASN 26 H ASN 26 -13.392 16.156 -7.258 193 HA ASN 26 HA ASN 26 -11.763 16.820 -4.821 194 1HB ASN 26 2HB ASN 26 -14.609 17.613 -5.562 195 2HB ASN 26 1HB ASN 26 -14.061 17.649 -3.904 196 1HD2 ASN 26 2HD2 ASN 26 -11.594 20.160 -5.770 197 2HD2 ASN 26 1HD2 ASN 26 -11.385 18.485 -5.888 198 H GLN 27 H GLN 27 -11.925 14.159 -5.730 199 HA GLN 27 HA GLN 27 -13.327 13.036 -3.402 200 1HB GLN 27 2HB GLN 27 -14.856 13.134 -5.601 201 2HB GLN 27 1HB GLN 27 -13.897 11.753 -6.090 202 1HG GLN 27 2HG GLN 27 -15.703 10.727 -5.010 203 2HG GLN 27 1HG GLN 27 -14.535 10.785 -3.705 204 1HE2 GLN 27 2HE2 GLN 27 -16.763 12.762 -1.774 205 2HE2 GLN 27 1HE2 GLN 27 -15.461 11.669 -1.754 206 H GLN 28 H GLN 28 -12.202 11.381 -2.594 207 HA GLN 28 HA GLN 28 -10.391 9.937 -2.247 208 1HB GLN 28 2HB GLN 28 -11.064 9.161 -5.111 209 2HB GLN 28 1HB GLN 28 -10.313 8.129 -3.915 210 1HG GLN 28 2HG GLN 28 -12.337 7.586 -2.954 211 2HG GLN 28 1HG GLN 28 -12.881 9.250 -2.909 212 1HE2 GLN 28 2HE2 GLN 28 -14.480 6.953 -5.660 213 2HE2 GLN 28 1HE2 GLN 28 -13.788 6.378 -4.216 214 H GLY 29 H GLY 29 -8.390 8.837 -3.827 215 1HA GLY 29 2HA GLY 29 -7.033 11.035 -5.279 216 2HA GLY 29 1HA GLY 29 -6.244 10.476 -3.786 217 H SER 30 H SER 30 -4.968 10.016 -6.346 218 HA SER 30 HA SER 30 -5.314 7.090 -6.552 219 1HB SER 30 2HB SER 30 -4.465 7.337 -8.943 220 2HB SER 30 1HB SER 30 -5.941 8.284 -8.714 221 HG SER 30 HG SER 30 -3.933 9.340 -9.668 222 H CYS 31 H CYS 31 -3.228 5.956 -7.280 223 HA CYS 31 HA CYS 31 -1.080 7.127 -5.564 224 1HB CYS 31 2HB CYS 31 -2.041 4.709 -5.264 225 2HB CYS 31 1HB CYS 31 -1.309 4.359 -6.774 226 H GLN 32 H GLN 32 0.239 8.494 -6.923 227 HA GLN 32 HA GLN 32 1.172 7.120 -9.410 228 1HB GLN 32 2HB GLN 32 0.685 10.074 -9.591 229 2HB GLN 32 1HB GLN 32 0.699 8.880 -10.841 230 1HG GLN 32 2HG GLN 32 -1.583 8.217 -9.159 231 2HG GLN 32 1HG GLN 32 -1.628 9.903 -9.363 232 1HE2 GLN 32 2HE2 GLN 32 -1.775 8.810 -13.094 233 2HE2 GLN 32 1HE2 GLN 32 -0.298 8.949 -12.264 234 H THR 33 H THR 33 3.143 7.821 -10.311 235 HA THR 33 HA THR 33 4.816 8.584 -8.120 236 HB THR 33 HB THR 33 6.474 8.525 -10.498 237 HG1 THR 33 HG1 THR 33 5.323 7.743 -11.899 238 1HG2 THR 33 3HG2 THR 33 5.658 6.349 -8.674 239 2HG2 THR 33 2HG2 THR 33 7.057 6.358 -9.789 240 3HG2 THR 33 1HG2 THR 33 6.935 7.564 -8.513 241 H THR 34 H THR 34 3.493 10.709 -8.200 242 HA THR 34 HA THR 34 5.551 12.449 -9.044 243 HB THR 34 HB THR 34 4.143 12.216 -11.220 244 HG1 THR 34 HG1 THR 34 4.356 14.301 -11.531 245 1HG2 THR 34 3HG2 THR 34 2.024 11.708 -9.944 246 2HG2 THR 34 2HG2 THR 34 1.940 13.390 -9.451 247 3HG2 THR 34 1HG2 THR 34 1.781 12.964 -11.146 248 H ILE 35 H ILE 35 4.873 14.741 -8.935 249 HA ILE 35 HA ILE 35 4.396 16.583 -7.613 250 HB ILE 35 HB ILE 35 2.086 15.029 -7.335 251 1HG1 ILE 35 2HG1 ILE 35 2.108 17.487 -7.461 252 2HG1 ILE 35 1HG1 ILE 35 1.039 16.954 -6.188 253 1HG2 ILE 35 3HG2 ILE 35 3.090 15.361 -4.491 254 2HG2 ILE 35 2HG2 ILE 35 1.474 14.851 -4.986 255 3HG2 ILE 35 1HG2 ILE 35 2.845 13.840 -5.304 256 1HD1 ILE 35 3HD1 ILE 35 3.889 18.004 -5.780 257 2HD1 ILE 35 2HD1 ILE 35 2.405 18.877 -5.447 258 3HD1 ILE 35 1HD1 ILE 35 2.827 17.477 -4.487 259 H THR 36 H THR 36 4.604 13.563 -5.827 260 HA THR 36 HA THR 36 7.127 14.358 -4.517 261 HB THR 36 HB THR 36 4.709 13.339 -2.880 262 HG1 THR 36 HG1 THR 36 5.490 15.839 -3.787 263 1HG2 THR 36 1HG2 THR 36 7.306 14.751 -2.077 264 2HG2 THR 36 3HG2 THR 36 6.093 14.135 -0.972 265 3HG2 THR 36 2HG2 THR 36 7.075 13.019 -1.910 266 H GLY 37 H GLY 37 6.455 12.667 -6.642 267 1HA GLY 37 2HA GLY 37 6.847 9.925 -5.479 268 2HA GLY 37 1HA GLY 37 6.062 10.249 -7.030 269 H LEU 38 H LEU 38 8.772 11.931 -5.951 270 HA LEU 38 HA LEU 38 10.619 10.324 -7.647 271 1HB LEU 38 2HB LEU 38 9.583 12.030 -9.056 272 2HB LEU 38 1HB LEU 38 9.923 13.277 -7.917 273 HG LEU 38 HG LEU 38 11.444 13.299 -9.966 274 1HD1 LEU 38 3HD1 LEU 38 12.551 14.073 -7.864 275 2HD1 LEU 38 2HD1 LEU 38 13.107 12.434 -7.552 276 3HD1 LEU 38 1HD1 LEU 38 13.671 13.295 -8.958 277 1HD2 LEU 38 2HD2 LEU 38 11.314 10.867 -10.447 278 2HD2 LEU 38 1HD2 LEU 38 12.982 11.403 -10.392 279 3HD2 LEU 38 3HD2 LEU 38 12.305 10.524 -9.039 280 H PHE 39 H PHE 39 10.527 13.374 -5.845 281 HA PHE 39 HA PHE 39 13.026 12.599 -4.409 282 1HB PHE 39 2HB PHE 39 12.950 15.014 -3.645 283 2HB PHE 39 1HB PHE 39 12.870 14.920 -5.393 284 HD1 PHE 39 HD2 PHE 39 10.680 15.305 -6.565 285 HD2 PHE 39 HD1 PHE 39 11.046 15.806 -2.345 286 HE1 PHE 39 HE2 PHE 39 8.543 16.509 -6.509 287 HE2 PHE 39 HE1 PHE 39 8.923 17.017 -2.306 288 HZ PHE 39 HZ PHE 39 7.668 17.374 -4.393 289 H LYS 40 H LYS 40 11.206 10.935 -3.921 290 HA LYS 40 HA LYS 40 9.530 11.682 -1.628 291 1HB LYS 40 2HB LYS 40 8.470 10.268 -3.277 292 2HB LYS 40 1HB LYS 40 9.809 9.140 -3.264 293 1HG LYS 40 2HG LYS 40 7.870 8.242 -2.040 294 2HG LYS 40 1HG LYS 40 9.252 8.397 -0.996 295 1HD LYS 40 2HD LYS 40 8.157 10.774 -0.355 296 2HD LYS 40 1HD LYS 40 6.731 10.106 -1.119 297 1HE LYS 40 2HE LYS 40 6.679 9.659 1.289 298 2HE LYS 40 1HE LYS 40 6.832 8.140 0.417 299 1HZ LYS 40 2HZ LYS 40 9.441 9.201 0.992 300 2HZ LYS 40 1HZ LYS 40 8.557 9.098 2.401 301 3HZ LYS 40 3HZ LYS 40 8.767 7.726 1.448 302 H LYS 41 H LYS 41 12.381 9.672 -2.108 303 HA LYS 41 HA LYS 41 13.732 8.558 -0.543 304 1HB LYS 41 2HB LYS 41 12.663 10.802 1.258 305 2HB LYS 41 1HB LYS 41 14.013 9.766 1.663 306 1HG LYS 41 2HG LYS 41 15.266 10.590 -0.352 307 2HG LYS 41 1HG LYS 41 13.891 11.567 -0.807 308 1HD LYS 41 2HD LYS 41 15.477 13.043 0.215 309 2HD LYS 41 1HD LYS 41 14.127 12.880 1.316 310 1HE LYS 41 2HE LYS 41 15.452 11.279 2.728 311 2HE LYS 41 1HE LYS 41 16.787 11.367 1.587 312 1HZ LYS 41 1HZ LYS 41 16.078 13.985 2.310 313 2HZ LYS 41 3HZ LYS 41 16.239 13.098 3.744 314 3HZ LYS 41 2HZ LYS 41 17.529 13.178 2.652 315 H CYS 42 H CYS 42 12.276 6.731 -0.686 316 HA CYS 42 HA CYS 42 10.881 6.083 1.859 317 1HB CYS 42 2HB CYS 42 9.237 6.284 -0.288 318 2HB CYS 42 1HB CYS 42 10.165 4.968 -0.925 No H/Q in entry = 318 Start of MODEL 3 1 1H CYS 1 1H CYS 1 -0.414 0.185 -0.603 2 2H CYS 1 3H CYS 1 0.664 -0.681 0.339 3 3H CYS 1 2H CYS 1 0.891 0.933 0.076 4 HA CYS 1 HA CYS 1 2.094 0.643 -1.709 5 1HB CYS 1 2HB CYS 1 3.034 -1.208 -0.707 6 2HB CYS 1 1HB CYS 1 1.594 -2.190 -0.944 7 H ALA 2 H ALA 2 0.114 1.614 -2.834 8 HA ALA 2 HA ALA 2 -1.498 -0.222 -4.472 9 1HB ALA 2 2HB ALA 2 -1.214 2.825 -4.495 10 2HB ALA 2 1HB ALA 2 -2.419 1.950 -5.436 11 3HB ALA 2 3HB ALA 2 -2.471 1.916 -3.687 12 H LYS 3 H LYS 3 -1.333 -0.109 -6.881 13 HA LYS 3 HA LYS 3 1.446 0.561 -7.818 14 1HB LYS 3 2HB LYS 3 0.577 -2.007 -7.351 15 2HB LYS 3 1HB LYS 3 -0.076 -1.777 -8.943 16 1HG LYS 3 2HG LYS 3 2.036 -2.840 -9.252 17 2HG LYS 3 1HG LYS 3 2.165 -1.207 -9.830 18 1HD LYS 3 2HD LYS 3 4.178 -1.872 -8.573 19 2HD LYS 3 1HD LYS 3 3.416 -0.544 -7.753 20 1HE LYS 3 2HE LYS 3 2.818 -3.429 -6.930 21 2HE LYS 3 1HE LYS 3 4.271 -2.633 -6.367 22 1HZ LYS 3 3HZ LYS 3 2.136 -0.864 -5.858 23 2HZ LYS 3 2HZ LYS 3 1.681 -2.386 -5.274 24 3HZ LYS 3 1HZ LYS 3 3.121 -1.725 -4.780 25 H LYS 4 H LYS 4 -0.512 2.273 -7.960 26 HA LYS 4 HA LYS 4 -1.487 3.831 -9.333 27 1HB LYS 4 2HB LYS 4 -0.373 2.120 -11.673 28 2HB LYS 4 1HB LYS 4 -1.183 3.642 -11.875 29 1HG LYS 4 2HG LYS 4 1.112 4.105 -12.098 30 2HG LYS 4 1HG LYS 4 0.620 4.775 -10.568 31 1HD LYS 4 2HD LYS 4 1.577 2.829 -9.371 32 2HD LYS 4 1HD LYS 4 2.018 2.084 -10.905 33 1HE LYS 4 2HE LYS 4 3.523 4.074 -11.370 34 2HE LYS 4 1HE LYS 4 3.067 4.777 -9.831 35 1HZ LYS 4 1HZ LYS 4 3.952 2.109 -9.408 36 2HZ LYS 4 3HZ LYS 4 5.108 2.938 -10.318 37 3HZ LYS 4 2HZ LYS 4 4.614 3.550 -8.822 38 H ARG 5 H ARG 5 -3.258 3.597 -11.429 39 HA ARG 5 HA ARG 5 -5.233 2.694 -12.277 40 1HB ARG 5 2HB ARG 5 -3.786 0.683 -12.730 41 2HB ARG 5 1HB ARG 5 -4.232 0.026 -11.170 42 1HG ARG 5 2HG ARG 5 -6.621 0.015 -11.832 43 2HG ARG 5 1HG ARG 5 -6.190 0.651 -13.409 44 1HD ARG 5 2HD ARG 5 -4.622 -1.404 -13.669 45 2HD ARG 5 1HD ARG 5 -5.350 -2.030 -12.195 46 HE ARG 5 HE ARG 5 -7.554 -2.036 -13.388 47 1HH1 ARG 5 2HH1 ARG 5 -6.599 -0.246 -15.487 48 2HH1 ARG 5 1HH1 ARG 5 -6.365 -1.241 -16.877 49 1HH2 ARG 5 1HH2 ARG 5 -6.432 -4.130 -14.757 50 2HH2 ARG 5 2HH2 ARG 5 -6.269 -3.677 -16.409 51 H ASN 6 H ASN 6 -4.575 1.179 -9.210 52 HA ASN 6 HA ASN 6 -7.327 1.790 -8.145 53 1HB ASN 6 2HB ASN 6 -5.898 -0.758 -8.352 54 2HB ASN 6 1HB ASN 6 -5.704 -0.245 -6.688 55 1HD2 ASN 6 2HD2 ASN 6 -8.987 -1.320 -5.909 56 2HD2 ASN 6 1HD2 ASN 6 -7.436 -0.951 -5.336 57 H TRP 7 H TRP 7 -7.144 3.006 -6.313 58 HA TRP 7 HA TRP 7 -4.399 4.004 -5.829 59 1HB TRP 7 2HB TRP 7 -5.515 6.053 -5.138 60 2HB TRP 7 1HB TRP 7 -5.982 5.618 -6.777 61 HD1 TRP 7 HD1 TRP 7 -7.403 4.665 -3.327 62 HE1 TRP 7 HE1 TRP 7 -9.817 5.187 -3.197 63 HE3 TRP 7 HE3 TRP 7 -8.044 6.501 -8.018 64 HZ2 TRP 7 HZ2 TRP 7 -11.735 6.138 -4.759 65 HZ3 TRP 7 HZ3 TRP 7 -10.331 7.208 -8.663 66 HH2 TRP 7 HH2 TRP 7 -12.189 7.029 -7.034 67 H CYS 8 H CYS 8 -4.349 5.298 -3.886 68 HA CYS 8 HA CYS 8 -4.982 3.644 -1.483 69 1HB CYS 8 2HB CYS 8 -2.827 4.956 -0.695 70 2HB CYS 8 1HB CYS 8 -2.677 3.516 -1.663 71 H GLY 9 H GLY 9 -6.015 6.188 -3.034 72 1HA GLY 9 2HA GLY 9 -7.386 7.976 -2.443 73 2HA GLY 9 1HA GLY 9 -7.310 7.456 -0.785 74 H LYS 10 H LYS 10 -4.880 7.799 0.190 75 HA LYS 10 HA LYS 10 -3.946 10.446 -0.626 76 1HB LYS 10 2HB LYS 10 -3.993 11.164 1.758 77 2HB LYS 10 1HB LYS 10 -5.603 10.597 1.302 78 1HG LYS 10 2HG LYS 10 -5.087 8.338 2.353 79 2HG LYS 10 1HG LYS 10 -3.472 8.889 2.646 80 1HD LYS 10 2HD LYS 10 -4.429 8.956 4.740 81 2HD LYS 10 1HD LYS 10 -4.403 10.629 4.267 82 1HE LYS 10 2HE LYS 10 -6.797 8.719 4.064 83 2HE LYS 10 1HE LYS 10 -6.558 9.899 5.341 84 1HZ LYS 10 1HZ LYS 10 -6.243 11.203 2.897 85 2HZ LYS 10 3HZ LYS 10 -7.684 10.313 2.793 86 3HZ LYS 10 2HZ LYS 10 -7.482 11.454 4.034 87 H ASN 11 H ASN 11 -1.796 10.589 -0.015 88 HA ASN 11 HA ASN 11 -0.066 8.780 -0.736 89 1HB ASN 11 2HB ASN 11 0.599 11.013 0.330 90 2HB ASN 11 1HB ASN 11 0.274 10.329 1.901 91 1HD2 ASN 11 2HD2 ASN 11 3.415 8.758 2.123 92 2HD2 ASN 11 1HD2 ASN 11 1.921 9.045 2.873 93 H GLU 12 H GLU 12 -1.615 8.535 2.254 94 HA GLU 12 HA GLU 12 -0.691 7.053 4.124 95 1HB GLU 12 2HB GLU 12 -3.012 7.435 3.833 96 2HB GLU 12 1HB GLU 12 -3.167 6.327 2.485 97 1HG GLU 12 2HG GLU 12 -2.815 4.457 4.106 98 2HG GLU 12 1HG GLU 12 -2.575 5.614 5.408 99 H ASP 13 H ASP 13 -1.792 4.896 1.533 100 HA ASP 13 HA ASP 13 0.670 3.271 2.078 101 1HB ASP 13 2HB ASP 13 -1.265 2.269 3.196 102 2HB ASP 13 1HB ASP 13 -2.189 2.273 1.698 103 H CYS 14 H CYS 14 1.086 4.859 0.005 104 HA CYS 14 HA CYS 14 0.330 3.359 -2.488 105 1HB CYS 14 2HB CYS 14 0.320 5.879 -2.485 106 2HB CYS 14 1HB CYS 14 1.980 5.895 -2.006 107 H CYS 15 H CYS 15 1.931 2.459 -3.886 108 HA CYS 15 HA CYS 15 4.151 1.397 -2.206 109 1HB CYS 15 2HB CYS 15 2.533 0.201 -3.982 110 2HB CYS 15 1HB CYS 15 3.778 0.675 -5.062 111 H CYS 16 H CYS 16 5.142 3.247 -1.987 112 HA CYS 16 HA CYS 16 5.990 5.201 -3.629 113 1HB CYS 16 2HB CYS 16 7.419 3.742 -1.473 114 2HB CYS 16 1HB CYS 16 8.115 5.164 -2.161 115 HA PRO 17 HA PRO 17 7.577 6.530 -3.603 116 1HB PRO 17 2HB PRO 17 9.360 7.986 -4.771 117 2HB PRO 17 1HB PRO 17 9.933 6.526 -3.920 118 1HG PRO 17 2HG PRO 17 9.420 6.885 -6.939 119 2HG PRO 17 1HG PRO 17 10.796 6.097 -6.163 120 1HD PRO 17 2HD PRO 17 8.383 4.749 -7.028 121 2HD PRO 17 1HD PRO 17 9.633 4.044 -5.995 122 H MET 18 H MET 18 5.604 6.775 -4.039 123 HA MET 18 HA MET 18 4.866 8.603 -6.243 124 1HB MET 18 2HB MET 18 3.710 6.036 -5.404 125 2HB MET 18 1HB MET 18 2.777 7.163 -6.377 126 1HG MET 18 2HG MET 18 3.847 6.287 -8.214 127 2HG MET 18 1HG MET 18 5.340 6.834 -7.501 128 1HE MET 18 2HE MET 18 2.691 4.446 -7.533 129 2HE MET 18 1HE MET 18 3.355 2.866 -7.143 130 3HE MET 18 3HE MET 18 3.147 4.053 -5.872 131 H LYS 19 H LYS 19 2.885 9.445 -5.976 132 HA LYS 19 HA LYS 19 2.146 9.912 -3.059 133 1HB LYS 19 2HB LYS 19 3.030 12.024 -4.094 134 2HB LYS 19 1HB LYS 19 1.925 11.850 -5.437 135 1HG LYS 19 2HG LYS 19 1.101 13.548 -3.793 136 2HG LYS 19 1HG LYS 19 -0.025 12.222 -3.933 137 1HD LYS 19 2HD LYS 19 0.776 11.272 -1.770 138 2HD LYS 19 1HD LYS 19 2.138 12.360 -1.769 139 1HE LYS 19 2HE LYS 19 0.395 13.121 -0.157 140 2HE LYS 19 1HE LYS 19 0.686 14.302 -1.407 141 1HZ LYS 19 1HZ LYS 19 -1.469 12.628 -2.278 142 2HZ LYS 19 3HZ LYS 19 -1.836 13.097 -0.768 143 3HZ LYS 19 2HZ LYS 19 -1.457 14.282 -1.884 144 H CYS 20 H CYS 20 -0.225 9.850 -2.710 145 HA CYS 20 HA CYS 20 -1.524 8.290 -4.799 146 1HB CYS 20 2HB CYS 20 -2.422 9.296 -2.104 147 2HB CYS 20 1HB CYS 20 -3.295 8.110 -2.972 148 H ILE 21 H ILE 21 -1.296 10.172 -6.134 149 HA ILE 21 HA ILE 21 -2.095 12.675 -6.284 150 HB ILE 21 HB ILE 21 -2.396 10.426 -8.290 151 1HG1 ILE 21 2HG1 ILE 21 -0.162 10.813 -7.705 152 2HG1 ILE 21 1HG1 ILE 21 -0.368 11.656 -9.238 153 1HG2 ILE 21 2HG2 ILE 21 -3.904 12.156 -9.260 154 2HG2 ILE 21 1HG2 ILE 21 -2.606 13.350 -9.194 155 3HG2 ILE 21 3HG2 ILE 21 -2.472 11.946 -10.220 156 1HD1 ILE 21 3HD1 ILE 21 -0.648 13.821 -8.049 157 2HD1 ILE 21 2HD1 ILE 21 -0.310 13.029 -6.504 158 3HD1 ILE 21 1HD1 ILE 21 0.838 13.004 -7.739 159 H TYR 22 H TYR 22 -3.601 13.864 -7.699 160 HA TYR 22 HA TYR 22 -6.354 13.157 -6.837 161 1HB TYR 22 2HB TYR 22 -4.791 15.748 -6.530 162 2HB TYR 22 1HB TYR 22 -6.483 15.600 -5.997 163 HD1 TYR 22 HD2 TYR 22 -6.959 13.611 -4.231 164 HD2 TYR 22 HD1 TYR 22 -3.073 14.921 -5.387 165 HE1 TYR 22 HE2 TYR 22 -5.976 12.290 -2.414 166 HE2 TYR 22 HE1 TYR 22 -2.103 13.621 -3.638 167 HH TYR 22 HH TYR 22 -3.610 11.266 -2.261 168 H ALA 23 H ALA 23 -7.944 14.826 -7.821 169 HA ALA 23 HA ALA 23 -7.332 15.130 -10.731 170 1HB ALA 23 1HB ALA 23 -8.910 13.207 -10.283 171 2HB ALA 23 3HB ALA 23 -9.980 14.300 -9.424 172 3HB ALA 23 2HB ALA 23 -9.732 14.488 -11.154 173 H TRP 24 H TRP 24 -9.411 16.550 -11.556 174 HA TRP 24 HA TRP 24 -8.916 19.172 -10.464 175 1HB TRP 24 2HB TRP 24 -9.975 19.767 -12.483 176 2HB TRP 24 1HB TRP 24 -10.382 18.088 -12.778 177 HD1 TRP 24 HD1 TRP 24 -13.018 17.620 -12.826 178 HE1 TRP 24 HE1 TRP 24 -15.062 18.780 -11.960 179 HE3 TRP 24 HE3 TRP 24 -10.739 21.453 -10.446 180 HZ2 TRP 24 HZ2 TRP 24 -15.649 20.981 -10.454 181 HZ3 TRP 24 HZ3 TRP 24 -12.131 23.122 -9.275 182 HH2 TRP 24 HH2 TRP 24 -14.596 22.890 -9.279 183 H TYR 25 H TYR 25 -11.534 16.895 -10.210 184 HA TYR 25 HA TYR 25 -12.945 18.413 -8.124 185 1HB TYR 25 2HB TYR 25 -14.624 16.605 -8.284 186 2HB TYR 25 1HB TYR 25 -14.126 17.007 -9.915 187 HD1 TYR 25 HD1 TYR 25 -13.668 14.574 -7.159 188 HD2 TYR 25 HD2 TYR 25 -12.968 15.325 -11.290 189 HE1 TYR 25 HE1 TYR 25 -12.960 12.277 -7.431 190 HE2 TYR 25 HE2 TYR 25 -12.253 12.998 -11.563 191 HH TYR 25 HH TYR 25 -12.748 10.747 -10.316 192 H ASN 26 H ASN 26 -13.516 16.732 -6.099 193 HA ASN 26 HA ASN 26 -11.007 15.321 -5.317 194 1HB ASN 26 2HB ASN 26 -12.325 17.633 -4.028 195 2HB ASN 26 1HB ASN 26 -11.910 16.371 -2.898 196 1HD2 ASN 26 2HD2 ASN 26 -8.598 17.670 -4.874 197 2HD2 ASN 26 1HD2 ASN 26 -9.870 17.004 -5.792 198 H GLN 27 H GLN 27 -11.350 14.342 -3.143 199 HA GLN 27 HA GLN 27 -13.075 13.197 -1.643 200 1HB GLN 27 2HB GLN 27 -13.695 11.923 -4.367 201 2HB GLN 27 1HB GLN 27 -13.898 11.034 -2.865 202 1HG GLN 27 2HG GLN 27 -15.540 12.710 -2.047 203 2HG GLN 27 1HG GLN 27 -15.414 13.607 -3.539 204 1HE2 GLN 27 2HE2 GLN 27 -16.852 9.916 -4.372 205 2HE2 GLN 27 1HE2 GLN 27 -15.292 10.056 -3.724 206 H GLN 28 H GLN 28 -11.376 11.484 -4.305 207 HA GLN 28 HA GLN 28 -9.582 10.281 -2.214 208 1HB GLN 28 2HB GLN 28 -10.419 8.797 -4.788 209 2HB GLN 28 1HB GLN 28 -9.605 8.132 -3.411 210 1HG GLN 28 2HG GLN 28 -11.756 7.345 -2.963 211 2HG GLN 28 1HG GLN 28 -11.723 8.812 -2.023 212 1HE2 GLN 28 2HE2 GLN 28 -13.645 9.832 -5.364 213 2HE2 GLN 28 1HE2 GLN 28 -11.955 9.649 -5.358 214 H GLY 29 H GLY 29 -7.866 8.901 -3.825 215 1HA GLY 29 2HA GLY 29 -6.789 10.865 -5.682 216 2HA GLY 29 1HA GLY 29 -5.790 10.555 -4.259 217 H SER 30 H SER 30 -4.179 9.857 -6.282 218 HA SER 30 HA SER 30 -4.541 6.947 -6.501 219 1HB SER 30 2HB SER 30 -4.084 7.020 -9.000 220 2HB SER 30 1HB SER 30 -5.598 7.835 -8.584 221 HG SER 30 HG SER 30 -4.726 9.617 -9.294 222 H CYS 31 H CYS 31 -2.799 5.764 -6.484 223 HA CYS 31 HA CYS 31 -0.291 6.770 -5.647 224 1HB CYS 31 2HB CYS 31 -1.496 4.402 -5.649 225 2HB CYS 31 1HB CYS 31 -0.655 4.205 -7.117 226 H GLN 32 H GLN 32 0.706 8.337 -7.091 227 HA GLN 32 HA GLN 32 1.532 7.188 -9.717 228 1HB GLN 32 2HB GLN 32 0.876 10.123 -9.317 229 2HB GLN 32 1HB GLN 32 1.240 9.341 -10.827 230 1HG GLN 32 2HG GLN 32 -1.218 8.457 -9.311 231 2HG GLN 32 1HG GLN 32 -1.288 9.825 -10.388 232 1HE2 GLN 32 2HE2 GLN 32 -1.517 7.723 -13.167 233 2HE2 GLN 32 1HE2 GLN 32 -1.912 9.215 -12.451 234 H THR 33 H THR 33 3.456 7.785 -10.540 235 HA THR 33 HA THR 33 5.131 8.555 -8.372 236 HB THR 33 HB THR 33 6.681 8.324 -10.961 237 HG1 THR 33 HG1 THR 33 5.487 7.040 -12.007 238 1HG2 THR 33 3HG2 THR 33 7.251 7.479 -8.717 239 2HG2 THR 33 2HG2 THR 33 6.127 6.135 -9.048 240 3HG2 THR 33 1HG2 THR 33 7.518 6.392 -10.086 241 H THR 34 H THR 34 4.002 10.688 -8.458 242 HA THR 34 HA THR 34 6.114 12.359 -9.343 243 HB THR 34 HB THR 34 4.689 12.129 -11.523 244 HG1 THR 34 HG1 THR 34 5.200 14.171 -11.808 245 1HG2 THR 34 3HG2 THR 34 2.506 11.817 -10.266 246 2HG2 THR 34 2HG2 THR 34 2.553 13.509 -9.801 247 3HG2 THR 34 1HG2 THR 34 2.393 13.063 -11.493 248 H ILE 35 H ILE 35 5.513 14.645 -9.160 249 HA ILE 35 HA ILE 35 5.043 16.503 -7.864 250 HB ILE 35 HB ILE 35 2.627 15.212 -7.582 251 1HG1 ILE 35 2HG1 ILE 35 3.605 17.429 -5.676 252 2HG1 ILE 35 1HG1 ILE 35 3.178 17.711 -7.352 253 1HG2 ILE 35 3HG2 ILE 35 3.388 13.740 -5.604 254 2HG2 ILE 35 2HG2 ILE 35 3.732 15.196 -4.715 255 3HG2 ILE 35 1HG2 ILE 35 2.094 14.806 -5.213 256 1HD1 ILE 35 3HD1 ILE 35 0.859 16.940 -6.917 257 2HD1 ILE 35 2HD1 ILE 35 1.241 16.700 -5.220 258 3HD1 ILE 35 1HD1 ILE 35 1.289 18.305 -5.906 259 H THR 36 H THR 36 5.149 13.477 -6.135 260 HA THR 36 HA THR 36 7.669 14.160 -4.770 261 HB THR 36 HB THR 36 5.138 13.303 -3.185 262 HG1 THR 36 HG1 THR 36 6.169 15.750 -4.028 263 1HG2 THR 36 1HG2 THR 36 7.826 14.467 -2.277 264 2HG2 THR 36 3HG2 THR 36 6.516 13.941 -1.231 265 3HG2 THR 36 2HG2 THR 36 7.431 12.763 -2.158 266 H GLY 37 H GLY 37 7.040 12.596 -6.936 267 1HA GLY 37 2HA GLY 37 7.075 9.827 -5.823 268 2HA GLY 37 1HA GLY 37 6.504 10.226 -7.441 269 H LEU 38 H LEU 38 9.246 11.478 -5.875 270 HA LEU 38 HA LEU 38 11.131 9.763 -7.352 271 1HB LEU 38 2HB LEU 38 10.650 11.370 -9.062 272 2HB LEU 38 1HB LEU 38 10.733 12.711 -7.955 273 HG LEU 38 HG LEU 38 13.237 12.326 -7.738 274 1HD1 LEU 38 1HD1 LEU 38 12.770 10.065 -9.752 275 2HD1 LEU 38 3HD1 LEU 38 14.334 10.615 -9.181 276 3HD1 LEU 38 2HD1 LEU 38 13.232 9.837 -8.072 277 1HD2 LEU 38 1HD2 LEU 38 12.411 13.793 -9.574 278 2HD2 LEU 38 3HD2 LEU 38 13.855 12.928 -10.059 279 3HD2 LEU 38 2HD2 LEU 38 12.287 12.402 -10.639 280 H PHE 39 H PHE 39 10.948 12.790 -5.599 281 HA PHE 39 HA PHE 39 13.328 12.049 -3.936 282 1HB PHE 39 2HB PHE 39 13.297 14.599 -3.441 283 2HB PHE 39 1HB PHE 39 13.695 14.188 -5.104 284 HD1 PHE 39 HD1 PHE 39 11.886 14.312 -6.867 285 HD2 PHE 39 HD2 PHE 39 11.273 15.832 -2.932 286 HE1 PHE 39 HE1 PHE 39 9.939 15.576 -7.655 287 HE2 PHE 39 HE2 PHE 39 9.336 17.102 -3.729 288 HZ PHE 39 HZ PHE 39 8.664 16.978 -6.088 289 H LYS 40 H LYS 40 11.391 10.667 -3.205 290 HA LYS 40 HA LYS 40 9.739 12.069 -1.173 291 1HB LYS 40 2HB LYS 40 8.558 10.672 -2.811 292 2HB LYS 40 1HB LYS 40 9.510 9.277 -2.346 293 1HG LYS 40 2HG LYS 40 8.548 9.303 -0.072 294 2HG LYS 40 1HG LYS 40 7.680 10.785 -0.424 295 1HD LYS 40 2HD LYS 40 6.376 9.622 -2.175 296 2HD LYS 40 1HD LYS 40 7.300 8.150 -1.904 297 1HE LYS 40 2HE LYS 40 6.458 7.947 0.406 298 2HE LYS 40 1HE LYS 40 5.650 9.504 0.278 299 1HZ LYS 40 2HZ LYS 40 4.851 7.961 -1.888 300 2HZ LYS 40 1HZ LYS 40 4.642 6.987 -0.516 301 3HZ LYS 40 3HZ LYS 40 3.916 8.527 -0.635 302 H LYS 41 H LYS 41 11.986 9.322 -1.268 303 HA LYS 41 HA LYS 41 13.128 8.244 0.485 304 1HB LYS 41 2HB LYS 41 12.350 10.793 2.029 305 2HB LYS 41 1HB LYS 41 13.294 9.501 2.707 306 1HG LYS 41 2HG LYS 41 14.970 9.832 0.790 307 2HG LYS 41 1HG LYS 41 14.059 11.271 0.353 308 1HD LYS 41 2HD LYS 41 14.437 12.282 2.549 309 2HD LYS 41 1HD LYS 41 15.145 10.801 3.172 310 1HE LYS 41 2HE LYS 41 17.043 11.028 1.558 311 2HE LYS 41 1HE LYS 41 16.357 12.529 0.960 312 1HZ LYS 41 1HZ LYS 41 16.540 12.710 3.768 313 2HZ LYS 41 3HZ LYS 41 18.028 12.156 3.185 314 3HZ LYS 41 2HZ LYS 41 17.369 13.608 2.595 315 H CYS 42 H CYS 42 11.346 6.788 0.223 316 HA CYS 42 HA CYS 42 9.464 6.668 2.536 317 1HB CYS 42 2HB CYS 42 8.722 6.783 -0.061 318 2HB CYS 42 1HB CYS 42 9.292 5.147 -0.090 No H/Q in entry = 318 Start of MODEL 4 1 1H CYS 1 1H CYS 1 0.339 -0.166 -0.273 2 2H CYS 1 3H CYS 1 1.549 -1.021 0.506 3 3H CYS 1 2H CYS 1 1.784 0.589 0.103 4 HA CYS 1 HA CYS 1 2.633 0.039 -1.844 5 1HB CYS 1 2HB CYS 1 3.584 -1.792 -0.970 6 2HB CYS 1 1HB CYS 1 2.075 -2.716 -0.949 7 H ALA 2 H ALA 2 1.294 0.955 -3.385 8 HA ALA 2 HA ALA 2 -0.886 -0.713 -4.563 9 1HB ALA 2 1HB ALA 2 -0.646 2.353 -4.399 10 2HB ALA 2 3HB ALA 2 -1.955 1.476 -5.175 11 3HB ALA 2 2HB ALA 2 -1.748 1.379 -3.432 12 H LYS 3 H LYS 3 -0.862 -0.519 -6.988 13 HA LYS 3 HA LYS 3 1.804 0.463 -7.994 14 1HB LYS 3 2HB LYS 3 1.285 -2.116 -7.789 15 2HB LYS 3 1HB LYS 3 0.247 -1.862 -9.182 16 1HG LYS 3 2HG LYS 3 2.203 -0.874 -10.429 17 2HG LYS 3 1HG LYS 3 3.254 -1.325 -9.099 18 1HD LYS 3 2HD LYS 3 1.625 -3.196 -10.870 19 2HD LYS 3 1HD LYS 3 3.368 -3.000 -10.879 20 1HE LYS 3 2HE LYS 3 3.486 -3.929 -8.540 21 2HE LYS 3 1HE LYS 3 1.743 -4.163 -8.560 22 1HZ LYS 3 3HZ LYS 3 2.810 -5.308 -10.883 23 2HZ LYS 3 2HZ LYS 3 3.717 -5.878 -9.571 24 3HZ LYS 3 1HZ LYS 3 2.042 -6.104 -9.602 25 H LYS 4 H LYS 4 -0.111 2.194 -7.902 26 HA LYS 4 HA LYS 4 -1.275 3.812 -9.138 27 1HB LYS 4 2HB LYS 4 -0.278 2.304 -11.625 28 2HB LYS 4 1HB LYS 4 -1.073 3.850 -11.624 29 1HG LYS 4 2HG LYS 4 1.106 4.529 -11.852 30 2HG LYS 4 1HG LYS 4 0.848 4.695 -10.145 31 1HD LYS 4 2HD LYS 4 2.174 2.915 -9.520 32 2HD LYS 4 1HD LYS 4 1.959 2.037 -11.018 33 1HE LYS 4 2HE LYS 4 3.596 4.629 -10.668 34 2HE LYS 4 1HE LYS 4 4.274 3.020 -10.842 35 1HZ LYS 4 2HZ LYS 4 2.440 3.397 -12.899 36 2HZ LYS 4 1HZ LYS 4 3.410 4.787 -12.870 37 3HZ LYS 4 3HZ LYS 4 4.125 3.252 -13.065 38 H ARG 5 H ARG 5 -3.033 3.607 -11.197 39 HA ARG 5 HA ARG 5 -5.003 2.740 -12.022 40 1HB ARG 5 2HB ARG 5 -3.294 0.658 -12.210 41 2HB ARG 5 1HB ARG 5 -4.347 -0.029 -10.991 42 1HG ARG 5 2HG ARG 5 -6.233 -0.052 -12.391 43 2HG ARG 5 1HG ARG 5 -5.624 1.217 -13.435 44 1HD ARG 5 2HD ARG 5 -3.800 -0.396 -14.212 45 2HD ARG 5 1HD ARG 5 -4.646 -1.671 -13.342 46 HE ARG 5 HE ARG 5 -6.640 -1.196 -14.803 47 1HH1 ARG 5 1HH2 ARG 5 -6.286 1.209 -16.090 48 2HH1 ARG 5 2HH2 ARG 5 -5.499 0.891 -17.587 49 1HH2 ARG 5 2HH1 ARG 5 -4.392 -2.264 -16.361 50 2HH2 ARG 5 1HH1 ARG 5 -4.338 -1.265 -17.767 51 H ASN 6 H ASN 6 -4.307 1.240 -8.891 52 HA ASN 6 HA ASN 6 -7.110 1.820 -7.878 53 1HB ASN 6 2HB ASN 6 -6.018 -0.705 -7.781 54 2HB ASN 6 1HB ASN 6 -4.945 0.039 -6.599 55 1HD2 ASN 6 2HD2 ASN 6 -8.459 -1.081 -5.201 56 2HD2 ASN 6 1HD2 ASN 6 -7.749 -1.787 -6.582 57 H TRP 7 H TRP 7 -7.092 2.925 -5.909 58 HA TRP 7 HA TRP 7 -4.505 4.392 -5.656 59 1HB TRP 7 2HB TRP 7 -5.833 6.405 -5.152 60 2HB TRP 7 1HB TRP 7 -6.291 5.752 -6.703 61 HD1 TRP 7 HD1 TRP 7 -7.470 5.029 -3.207 62 HE1 TRP 7 HE1 TRP 7 -9.939 5.438 -2.984 63 HE3 TRP 7 HE3 TRP 7 -8.378 6.325 -7.961 64 HZ2 TRP 7 HZ2 TRP 7 -11.982 6.082 -4.598 65 HZ3 TRP 7 HZ3 TRP 7 -10.724 6.829 -8.624 66 HH2 TRP 7 HH2 TRP 7 -12.526 6.711 -6.942 67 H CYS 8 H CYS 8 -4.463 5.697 -3.979 68 HA CYS 8 HA CYS 8 -4.455 4.271 -1.386 69 1HB CYS 8 2HB CYS 8 -2.732 6.284 -1.128 70 2HB CYS 8 1HB CYS 8 -2.335 4.843 -2.029 71 H GLY 9 H GLY 9 -5.743 6.912 -3.100 72 1HA GLY 9 2HA GLY 9 -7.647 8.244 -2.504 73 2HA GLY 9 1HA GLY 9 -7.477 7.690 -0.830 74 H LYS 10 H LYS 10 -5.159 8.135 -0.032 75 HA LYS 10 HA LYS 10 -4.132 10.819 -0.731 76 1HB LYS 10 2HB LYS 10 -4.091 11.502 1.630 77 2HB LYS 10 1HB LYS 10 -5.722 10.967 1.313 78 1HG LYS 10 2HG LYS 10 -3.731 8.876 2.321 79 2HG LYS 10 1HG LYS 10 -4.254 10.068 3.415 80 1HD LYS 10 2HD LYS 10 -6.202 8.405 1.702 81 2HD LYS 10 1HD LYS 10 -5.566 7.755 3.177 82 1HE LYS 10 2HE LYS 10 -7.180 10.307 3.059 83 2HE LYS 10 1HE LYS 10 -7.729 8.751 3.669 84 1HZ LYS 10 3HZ LYS 10 -5.220 9.412 4.830 85 2HZ LYS 10 2HZ LYS 10 -6.322 10.667 5.138 86 3HZ LYS 10 1HZ LYS 10 -6.579 9.026 5.586 87 H ASN 11 H ASN 11 -2.112 11.062 0.892 88 HA ASN 11 HA ASN 11 -0.421 8.896 -0.077 89 1HB ASN 11 2HB ASN 11 0.576 11.159 0.003 90 2HB ASN 11 1HB ASN 11 0.241 11.311 1.720 91 1HD2 ASN 11 2HD2 ASN 11 3.132 9.536 2.701 92 2HD2 ASN 11 1HD2 ASN 11 1.635 10.157 3.194 93 H GLU 12 H GLU 12 -2.238 7.619 1.441 94 HA GLU 12 HA GLU 12 -1.345 7.403 4.268 95 1HB GLU 12 2HB GLU 12 -3.809 6.896 2.957 96 2HB GLU 12 1HB GLU 12 -3.203 5.298 3.235 97 1HG GLU 12 2HG GLU 12 -4.367 5.598 5.186 98 2HG GLU 12 1HG GLU 12 -2.771 6.076 5.707 99 H ASP 13 H ASP 13 -1.994 5.036 1.709 100 HA ASP 13 HA ASP 13 0.619 3.714 2.265 101 1HB ASP 13 2HB ASP 13 -1.082 2.276 3.228 102 2HB ASP 13 1HB ASP 13 -2.096 2.407 1.780 103 H CYS 14 H CYS 14 1.760 3.025 0.543 104 HA CYS 14 HA CYS 14 0.748 2.777 -2.211 105 1HB CYS 14 2HB CYS 14 1.175 5.339 -1.613 106 2HB CYS 14 1HB CYS 14 2.853 4.884 -1.778 107 H CYS 15 H CYS 15 2.618 2.299 -3.619 108 HA CYS 15 HA CYS 15 4.749 0.766 -2.162 109 1HB CYS 15 2HB CYS 15 2.875 -0.165 -4.070 110 2HB CYS 15 1HB CYS 15 4.171 0.317 -5.059 111 H CYS 16 H CYS 16 5.689 2.684 -1.882 112 HA CYS 16 HA CYS 16 6.074 4.866 -3.369 113 1HB CYS 16 2HB CYS 16 8.314 4.932 -2.143 114 2HB CYS 16 1HB CYS 16 6.853 4.818 -1.208 115 HA PRO 17 HA PRO 17 7.440 6.367 -3.420 116 1HB PRO 17 2HB PRO 17 9.050 8.111 -4.421 117 2HB PRO 17 1HB PRO 17 9.785 6.628 -3.751 118 1HG PRO 17 2HG PRO 17 9.118 7.240 -6.696 119 2HG PRO 17 1HG PRO 17 10.628 6.609 -6.040 120 1HD PRO 17 2HD PRO 17 8.467 4.965 -6.985 121 2HD PRO 17 1HD PRO 17 9.792 4.397 -5.960 122 H MET 18 H MET 18 5.392 6.287 -3.972 123 HA MET 18 HA MET 18 4.562 8.324 -5.986 124 1HB MET 18 2HB MET 18 3.554 5.689 -5.173 125 2HB MET 18 1HB MET 18 2.429 6.836 -5.885 126 1HG MET 18 2HG MET 18 4.184 6.979 -7.800 127 2HG MET 18 1HG MET 18 4.975 5.648 -7.044 128 1HE MET 18 2HE MET 18 4.287 3.646 -6.757 129 2HE MET 18 1HE MET 18 2.705 4.074 -6.072 130 3HE MET 18 3HE MET 18 2.819 2.837 -7.318 131 H LYS 19 H LYS 19 2.798 9.350 -5.532 132 HA LYS 19 HA LYS 19 2.014 9.554 -2.631 133 1HB LYS 19 2HB LYS 19 3.598 11.407 -3.553 134 2HB LYS 19 1HB LYS 19 2.299 11.848 -4.622 135 1HG LYS 19 2HG LYS 19 1.831 11.757 -1.629 136 2HG LYS 19 1HG LYS 19 2.577 13.151 -2.330 137 1HD LYS 19 2HD LYS 19 0.410 13.092 -3.986 138 2HD LYS 19 1HD LYS 19 -0.249 12.127 -2.699 139 1HE LYS 19 2HE LYS 19 -0.865 14.470 -2.437 140 2HE LYS 19 1HE LYS 19 -0.086 13.747 -1.038 141 1HZ LYS 19 1HZ LYS 19 1.925 14.840 -2.691 142 2HZ LYS 19 3HZ LYS 19 0.718 16.019 -2.478 143 3HZ LYS 19 2HZ LYS 19 1.466 15.311 -1.139 144 H CYS 20 H CYS 20 -0.281 10.268 -2.497 145 HA CYS 20 HA CYS 20 -1.724 9.177 -4.794 146 1HB CYS 20 2HB CYS 20 -2.062 9.050 -2.160 147 2HB CYS 20 1HB CYS 20 -3.141 10.385 -2.458 148 H ILE 21 H ILE 21 -2.093 10.448 -6.402 149 HA ILE 21 HA ILE 21 -2.134 13.364 -6.313 150 HB ILE 21 HB ILE 21 -2.639 11.468 -8.648 151 1HG1 ILE 21 2HG1 ILE 21 -0.458 10.826 -7.939 152 2HG1 ILE 21 1HG1 ILE 21 -0.241 11.900 -9.321 153 1HG2 ILE 21 1HG2 ILE 21 -1.719 14.340 -8.676 154 2HG2 ILE 21 3HG2 ILE 21 -1.778 13.284 -10.074 155 3HG2 ILE 21 2HG2 ILE 21 -3.260 13.707 -9.264 156 1HD1 ILE 21 2HD1 ILE 21 0.233 13.761 -7.673 157 2HD1 ILE 21 1HD1 ILE 21 0.045 12.518 -6.435 158 3HD1 ILE 21 3HD1 ILE 21 1.367 12.412 -7.540 159 H TYR 22 H TYR 22 -3.905 14.347 -7.569 160 HA TYR 22 HA TYR 22 -6.542 13.083 -6.997 161 1HB TYR 22 2HB TYR 22 -5.443 15.859 -6.465 162 2HB TYR 22 1HB TYR 22 -7.174 15.510 -6.323 163 HD1 TYR 22 HD2 TYR 22 -7.858 13.573 -4.794 164 HD2 TYR 22 HD1 TYR 22 -3.922 15.192 -4.769 165 HE1 TYR 22 HE2 TYR 22 -7.433 12.467 -2.659 166 HE2 TYR 22 HE1 TYR 22 -3.497 14.074 -2.621 167 HH TYR 22 HH TYR 22 -5.713 11.847 -1.309 168 H ALA 23 H ALA 23 -8.254 14.773 -8.253 169 HA ALA 23 HA ALA 23 -7.155 15.115 -11.013 170 1HB ALA 23 1HB ALA 23 -8.438 12.957 -10.816 171 2HB ALA 23 3HB ALA 23 -9.832 13.859 -10.237 172 3HB ALA 23 2HB ALA 23 -9.266 14.067 -11.893 173 H TRP 24 H TRP 24 -9.793 15.944 -11.957 174 HA TRP 24 HA TRP 24 -9.636 18.739 -11.163 175 1HB TRP 24 2HB TRP 24 -10.774 18.930 -13.199 176 2HB TRP 24 1HB TRP 24 -10.994 17.197 -13.280 177 HD1 TRP 24 HD1 TRP 24 -13.535 16.510 -13.375 178 HE1 TRP 24 HE1 TRP 24 -15.710 17.476 -12.604 179 HE3 TRP 24 HE3 TRP 24 -11.742 20.669 -11.120 180 HZ2 TRP 24 HZ2 TRP 24 -16.579 19.676 -11.221 181 HZ3 TRP 24 HZ3 TRP 24 -13.339 22.222 -10.059 182 HH2 TRP 24 HH2 TRP 24 -15.764 21.728 -10.110 183 H TYR 25 H TYR 25 -12.128 16.263 -10.767 184 HA TYR 25 HA TYR 25 -13.554 17.757 -8.731 185 1HB TYR 25 2HB TYR 25 -15.009 15.835 -8.556 186 2HB TYR 25 1HB TYR 25 -14.474 15.738 -10.220 187 HD1 TYR 25 HD1 TYR 25 -12.197 14.285 -10.566 188 HD2 TYR 25 HD2 TYR 25 -14.783 13.936 -7.194 189 HE1 TYR 25 HE1 TYR 25 -11.265 12.083 -10.064 190 HE2 TYR 25 HE2 TYR 25 -13.843 11.737 -6.714 191 HH TYR 25 HH TYR 25 -11.002 10.653 -7.956 192 H ASN 26 H ASN 26 -13.775 16.681 -6.455 193 HA ASN 26 HA ASN 26 -11.114 15.659 -5.543 194 1HB ASN 26 2HB ASN 26 -11.294 17.086 -3.548 195 2HB ASN 26 1HB ASN 26 -11.600 18.125 -4.926 196 1HD2 ASN 26 2HD2 ASN 26 -14.896 18.817 -3.880 197 2HD2 ASN 26 1HD2 ASN 26 -13.688 19.141 -5.026 198 H GLN 27 H GLN 27 -11.357 14.681 -3.395 199 HA GLN 27 HA GLN 27 -12.905 13.590 -1.732 200 1HB GLN 27 2HB GLN 27 -14.848 13.433 -3.336 201 2HB GLN 27 1HB GLN 27 -13.968 12.245 -4.271 202 1HG GLN 27 2HG GLN 27 -13.927 10.934 -1.899 203 2HG GLN 27 1HG GLN 27 -15.276 12.003 -1.550 204 1HE2 GLN 27 2HE2 GLN 27 -17.437 10.202 -3.663 205 2HE2 GLN 27 1HE2 GLN 27 -17.296 11.403 -2.467 206 H GLN 28 H GLN 28 -11.790 11.970 -4.704 207 HA GLN 28 HA GLN 28 -10.134 10.149 -3.011 208 1HB GLN 28 2HB GLN 28 -11.578 9.608 -5.645 209 2HB GLN 28 1HB GLN 28 -10.472 8.489 -4.877 210 1HG GLN 28 2HG GLN 28 -12.797 9.618 -3.272 211 2HG GLN 28 1HG GLN 28 -13.061 8.285 -4.366 212 1HE2 GLN 28 2HE2 GLN 28 -12.202 6.245 -1.615 213 2HE2 GLN 28 1HE2 GLN 28 -13.439 6.718 -2.688 214 H GLY 29 H GLY 29 -8.294 9.162 -4.214 215 1HA GLY 29 2HA GLY 29 -7.038 11.040 -6.179 216 2HA GLY 29 1HA GLY 29 -6.169 10.630 -4.709 217 H SER 30 H SER 30 -4.502 9.850 -6.302 218 HA SER 30 HA SER 30 -4.793 6.983 -6.755 219 1HB SER 30 2HB SER 30 -4.088 7.143 -9.171 220 2HB SER 30 1HB SER 30 -5.649 7.937 -8.901 221 HG SER 30 HG SER 30 -4.694 9.868 -8.975 222 H CYS 31 H CYS 31 -2.886 5.845 -6.613 223 HA CYS 31 HA CYS 31 -0.602 7.261 -5.575 224 1HB CYS 31 2HB CYS 31 -1.264 4.452 -6.231 225 2HB CYS 31 1HB CYS 31 0.418 4.829 -6.351 226 H GLN 32 H GLN 32 0.467 8.707 -7.026 227 HA GLN 32 HA GLN 32 1.486 7.325 -9.471 228 1HB GLN 32 2HB GLN 32 0.836 10.289 -9.531 229 2HB GLN 32 1HB GLN 32 0.967 9.202 -10.879 230 1HG GLN 32 2HG GLN 32 -1.270 8.267 -9.243 231 2HG GLN 32 1HG GLN 32 -1.466 9.946 -9.546 232 1HE2 GLN 32 2HE2 GLN 32 -3.042 9.065 -12.461 233 2HE2 GLN 32 1HE2 GLN 32 -3.230 9.657 -10.871 234 H THR 33 H THR 33 3.413 8.059 -10.237 235 HA THR 33 HA THR 33 4.960 8.684 -7.957 236 HB THR 33 HB THR 33 6.598 8.771 -10.458 237 HG1 THR 33 HG1 THR 33 5.626 7.343 -11.573 238 1HG2 THR 33 1HG2 THR 33 7.195 7.951 -8.245 239 2HG2 THR 33 3HG2 THR 33 6.064 6.610 -8.465 240 3HG2 THR 33 2HG2 THR 33 7.459 6.768 -9.531 241 H THR 34 H THR 34 3.657 10.899 -7.989 242 HA THR 34 HA THR 34 5.671 12.721 -8.819 243 HB THR 34 HB THR 34 4.274 12.545 -10.984 244 HG1 THR 34 HG1 THR 34 3.410 14.841 -10.809 245 1HG2 THR 34 1HG2 THR 34 2.200 11.887 -9.658 246 2HG2 THR 34 3HG2 THR 34 2.048 13.566 -9.155 247 3HG2 THR 34 2HG2 THR 34 1.864 13.124 -10.852 248 H ILE 35 H ILE 35 4.986 14.999 -8.589 249 HA ILE 35 HA ILE 35 4.380 16.790 -7.204 250 HB ILE 35 HB ILE 35 2.162 15.180 -6.749 251 1HG1 ILE 35 2HG1 ILE 35 2.287 17.688 -6.466 252 2HG1 ILE 35 1HG1 ILE 35 1.264 16.933 -5.278 253 1HG2 ILE 35 1HG2 ILE 35 3.168 13.739 -4.872 254 2HG2 ILE 35 3HG2 ILE 35 3.450 15.184 -3.983 255 3HG2 ILE 35 2HG2 ILE 35 1.806 14.682 -4.424 256 1HD1 ILE 35 3HD1 ILE 35 4.160 17.825 -4.801 257 2HD1 ILE 35 2HD1 ILE 35 2.727 18.666 -4.255 258 3HD1 ILE 35 1HD1 ILE 35 3.133 17.117 -3.571 259 H THR 36 H THR 36 4.788 13.791 -5.555 260 HA THR 36 HA THR 36 7.434 14.514 -4.450 261 HB THR 36 HB THR 36 6.587 13.594 -2.130 262 HG1 THR 36 HG1 THR 36 4.778 12.648 -2.725 263 1HG2 THR 36 3HG2 THR 36 5.083 16.104 -3.096 264 2HG2 THR 36 2HG2 THR 36 5.405 15.638 -1.430 265 3HG2 THR 36 1HG2 THR 36 6.717 16.111 -2.487 266 H GLY 37 H GLY 37 6.655 12.878 -6.563 267 1HA GLY 37 2HA GLY 37 7.023 10.141 -5.400 268 2HA GLY 37 1HA GLY 37 6.222 10.451 -6.939 269 H LEU 38 H LEU 38 9.085 11.681 -5.564 270 HA LEU 38 HA LEU 38 10.794 10.145 -7.446 271 1HB LEU 38 2HB LEU 38 10.085 12.031 -8.790 272 2HB LEU 38 1HB LEU 38 10.453 13.166 -7.537 273 HG LEU 38 HG LEU 38 12.091 13.103 -9.531 274 1HD1 LEU 38 1HD1 LEU 38 13.005 13.933 -7.371 275 2HD1 LEU 38 3HD1 LEU 38 13.517 12.309 -6.932 276 3HD1 LEU 38 2HD1 LEU 38 14.216 13.100 -8.316 277 1HD2 LEU 38 2HD2 LEU 38 11.978 10.682 -9.990 278 2HD2 LEU 38 1HD2 LEU 38 13.640 11.180 -9.769 279 3HD2 LEU 38 3HD2 LEU 38 12.810 10.325 -8.484 280 H PHE 39 H PHE 39 10.891 12.922 -5.296 281 HA PHE 39 HA PHE 39 13.453 11.977 -4.143 282 1HB PHE 39 2HB PHE 39 13.378 14.306 -3.069 283 2HB PHE 39 1HB PHE 39 13.424 14.320 -4.822 284 HD1 PHE 39 HD1 PHE 39 11.198 14.774 -1.862 285 HD2 PHE 39 HD2 PHE 39 11.516 15.125 -6.106 286 HE1 PHE 39 HE1 PHE 39 9.103 16.025 -1.925 287 HE2 PHE 39 HE2 PHE 39 9.411 16.378 -6.149 288 HZ PHE 39 HZ PHE 39 8.205 16.839 -4.075 289 H LYS 40 H LYS 40 11.361 10.370 -3.535 290 HA LYS 40 HA LYS 40 10.495 11.120 -0.779 291 1HB LYS 40 2HB LYS 40 8.944 10.071 -2.629 292 2HB LYS 40 1HB LYS 40 9.821 8.577 -2.353 293 1HG LYS 40 2HG LYS 40 9.010 8.384 -0.086 294 2HG LYS 40 1HG LYS 40 8.474 10.064 -0.061 295 1HD LYS 40 2HD LYS 40 6.782 9.515 -1.831 296 2HD LYS 40 1HD LYS 40 7.288 7.835 -1.773 297 1HE LYS 40 2HE LYS 40 6.559 7.622 0.567 298 2HE LYS 40 1HE LYS 40 6.231 9.346 0.679 299 1HZ LYS 40 1HZ LYS 40 4.777 8.259 -1.518 300 2HZ LYS 40 3HZ LYS 40 4.440 7.340 -0.155 301 3HZ LYS 40 2HZ LYS 40 4.162 8.994 -0.140 302 H LYS 41 H LYS 41 10.764 8.924 0.730 303 HA LYS 41 HA LYS 41 13.570 8.006 0.232 304 1HB LYS 41 2HB LYS 41 12.871 9.688 2.296 305 2HB LYS 41 1HB LYS 41 12.498 8.154 3.051 306 1HG LYS 41 2HG LYS 41 14.742 8.410 3.654 307 2HG LYS 41 1HG LYS 41 14.892 7.399 2.246 308 1HD LYS 41 2HD LYS 41 15.387 10.411 2.439 309 2HD LYS 41 1HD LYS 41 16.572 9.160 2.138 310 1HE LYS 41 2HE LYS 41 15.455 8.680 -0.098 311 2HE LYS 41 1HE LYS 41 14.364 10.024 0.229 312 1HZ LYS 41 1HZ LYS 41 16.992 10.951 0.560 313 2HZ LYS 41 3HZ LYS 41 16.882 10.111 -0.920 314 3HZ LYS 41 2HZ LYS 41 15.824 11.386 -0.598 315 H CYS 42 H CYS 42 12.582 6.470 -0.959 316 HA CYS 42 HA CYS 42 11.955 3.999 0.548 317 1HB CYS 42 2HB CYS 42 9.880 4.828 -0.563 318 2HB CYS 42 1HB CYS 42 10.719 5.048 -2.075 No H/Q in entry = 318 Start of MODEL 5 1 1H CYS 1 2H CYS 1 1.071 -1.576 0.065 2 2H CYS 1 1H CYS 1 2.458 -2.511 0.376 3 3H CYS 1 3H CYS 1 2.472 -0.834 0.609 4 HA CYS 1 HA CYS 1 3.085 -0.445 -1.459 5 1HB CYS 1 2HB CYS 1 4.444 -2.298 -1.582 6 2HB CYS 1 1HB CYS 1 3.140 -3.440 -1.368 7 H ALA 2 H ALA 2 2.085 -0.218 -3.653 8 HA ALA 2 HA ALA 2 -0.429 -1.511 -4.339 9 1HB ALA 2 3HB ALA 2 -1.249 0.368 -2.784 10 2HB ALA 2 2HB ALA 2 -0.464 1.536 -3.822 11 3HB ALA 2 1HB ALA 2 -1.783 0.582 -4.440 12 H LYS 3 H LYS 3 -1.045 -0.672 -6.614 13 HA LYS 3 HA LYS 3 1.272 0.612 -7.980 14 1HB LYS 3 2HB LYS 3 -0.257 -1.934 -8.721 15 2HB LYS 3 1HB LYS 3 0.511 -0.998 -9.975 16 1HG LYS 3 2HG LYS 3 2.103 -1.913 -7.540 17 2HG LYS 3 1HG LYS 3 1.865 -2.996 -8.897 18 1HD LYS 3 2HD LYS 3 2.872 -1.194 -10.415 19 2HD LYS 3 1HD LYS 3 3.244 -0.261 -8.978 20 1HE LYS 3 2HE LYS 3 4.729 -2.106 -8.146 21 2HE LYS 3 1HE LYS 3 4.335 -3.074 -9.551 22 1HZ LYS 3 3HZ LYS 3 5.216 -0.537 -10.431 23 2HZ LYS 3 2HZ LYS 3 6.323 -1.127 -9.298 24 3HZ LYS 3 1HZ LYS 3 5.968 -2.063 -10.669 25 H LYS 4 H LYS 4 0.591 1.733 -9.898 26 HA LYS 4 HA LYS 4 -1.489 3.446 -9.506 27 1HB LYS 4 2HB LYS 4 -1.292 4.064 -11.901 28 2HB LYS 4 1HB LYS 4 0.274 3.829 -11.166 29 1HG LYS 4 2HG LYS 4 -0.039 1.310 -12.070 30 2HG LYS 4 1HG LYS 4 -1.194 2.049 -13.144 31 1HD LYS 4 2HD LYS 4 1.714 2.894 -12.874 32 2HD LYS 4 1HD LYS 4 1.094 1.840 -14.126 33 1HE LYS 4 2HE LYS 4 -0.378 3.717 -14.964 34 2HE LYS 4 1HE LYS 4 0.302 4.773 -13.730 35 1HZ LYS 4 1HZ LYS 4 2.461 3.583 -14.998 36 2HZ LYS 4 3HZ LYS 4 1.401 4.062 -16.240 37 3HZ LYS 4 2HZ LYS 4 1.971 5.194 -15.108 38 H ARG 5 H ARG 5 -3.483 3.781 -10.430 39 HA ARG 5 HA ARG 5 -5.474 3.286 -11.721 40 1HB ARG 5 2HB ARG 5 -4.585 0.986 -12.435 41 2HB ARG 5 1HB ARG 5 -4.966 0.437 -10.809 42 1HG ARG 5 2HG ARG 5 -7.364 0.927 -11.154 43 2HG ARG 5 1HG ARG 5 -7.021 1.459 -12.793 44 1HD ARG 5 2HD ARG 5 -7.745 -0.992 -12.603 45 2HD ARG 5 1HD ARG 5 -6.187 -0.770 -13.404 46 HE ARG 5 HE ARG 5 -6.415 -1.439 -10.466 47 1HH1 ARG 5 2HH1 ARG 5 -3.633 -0.903 -10.994 48 2HH1 ARG 5 1HH1 ARG 5 -3.054 -2.407 -11.589 49 1HH2 ARG 5 1HH2 ARG 5 -6.305 -3.548 -12.362 50 2HH2 ARG 5 2HH2 ARG 5 -4.667 -4.045 -12.486 51 H ASN 6 H ASN 6 -4.731 1.228 -8.991 52 HA ASN 6 HA ASN 6 -7.181 2.086 -7.472 53 1HB ASN 6 2HB ASN 6 -4.849 0.172 -6.819 54 2HB ASN 6 1HB ASN 6 -6.260 0.386 -5.794 55 1HD2 ASN 6 2HD2 ASN 6 -8.142 -1.912 -7.760 56 2HD2 ASN 6 1HD2 ASN 6 -7.997 -1.094 -6.278 57 H TRP 7 H TRP 7 -6.970 3.000 -5.449 58 HA TRP 7 HA TRP 7 -4.492 4.616 -5.297 59 1HB TRP 7 2HB TRP 7 -5.872 6.523 -4.741 60 2HB TRP 7 1HB TRP 7 -6.494 5.803 -6.223 61 HD1 TRP 7 HD1 TRP 7 -7.386 5.012 -2.636 62 HE1 TRP 7 HE1 TRP 7 -9.835 5.433 -2.293 63 HE3 TRP 7 HE3 TRP 7 -8.448 6.497 -7.258 64 HZ2 TRP 7 HZ2 TRP 7 -11.961 6.161 -3.810 65 HZ3 TRP 7 HZ3 TRP 7 -10.798 7.056 -7.858 66 HH2 TRP 7 HH2 TRP 7 -12.577 6.887 -6.125 67 H CYS 8 H CYS 8 -4.299 5.803 -3.476 68 HA CYS 8 HA CYS 8 -4.418 4.106 -1.043 69 1HB CYS 8 2HB CYS 8 -2.526 5.949 -0.554 70 2HB CYS 8 1HB CYS 8 -2.211 4.553 -1.532 71 H GLY 9 H GLY 9 -5.746 6.818 -2.515 72 1HA GLY 9 2HA GLY 9 -7.610 8.146 -1.755 73 2HA GLY 9 1HA GLY 9 -7.287 7.607 -0.105 74 H LYS 10 H LYS 10 -4.999 7.999 0.444 75 HA LYS 10 HA LYS 10 -3.996 10.745 -0.065 76 1HB LYS 10 2HB LYS 10 -3.527 10.863 2.450 77 2HB LYS 10 1HB LYS 10 -5.258 10.644 2.205 78 1HG LYS 10 2HG LYS 10 -5.180 8.304 2.703 79 2HG LYS 10 1HG LYS 10 -3.511 8.140 2.366 80 1HD LYS 10 2HD LYS 10 -3.506 7.918 4.619 81 2HD LYS 10 1HD LYS 10 -3.075 9.589 4.423 82 1HE LYS 10 2HE LYS 10 -5.279 10.295 5.114 83 2HE LYS 10 1HE LYS 10 -5.999 8.726 4.748 84 1HZ LYS 10 2HZ LYS 10 -3.929 8.388 6.644 85 2HZ LYS 10 1HZ LYS 10 -5.042 9.529 7.264 86 3HZ LYS 10 3HZ LYS 10 -5.454 7.940 6.754 87 H ASN 11 H ASN 11 -1.696 10.690 1.043 88 HA ASN 11 HA ASN 11 -0.415 8.540 -0.436 89 1HB ASN 11 2HB ASN 11 1.729 9.558 0.638 90 2HB ASN 11 1HB ASN 11 0.815 10.628 -0.401 91 1HD2 ASN 11 2HD2 ASN 11 0.696 11.345 3.637 92 2HD2 ASN 11 1HD2 ASN 11 1.058 9.755 3.129 93 H GLU 12 H GLU 12 -1.953 7.196 1.331 94 HA GLU 12 HA GLU 12 -0.400 6.570 3.772 95 1HB GLU 12 2HB GLU 12 -3.198 6.397 3.216 96 2HB GLU 12 1HB GLU 12 -2.693 4.746 3.152 97 1HG GLU 12 2HG GLU 12 -1.949 4.662 5.372 98 2HG GLU 12 1HG GLU 12 -1.745 6.389 5.511 99 H ASP 13 H ASP 13 -1.623 4.332 1.136 100 HA ASP 13 HA ASP 13 1.011 2.960 1.489 101 1HB ASP 13 2HB ASP 13 -0.777 1.642 2.663 102 2HB ASP 13 1HB ASP 13 -1.553 1.385 1.101 103 H CYS 14 H CYS 14 2.133 2.572 -0.174 104 HA CYS 14 HA CYS 14 1.185 1.615 -2.748 105 1HB CYS 14 2HB CYS 14 2.057 4.451 -2.348 106 2HB CYS 14 1HB CYS 14 2.535 3.624 -3.821 107 H CYS 15 H CYS 15 2.880 1.434 -4.256 108 HA CYS 15 HA CYS 15 5.232 0.285 -2.835 109 1HB CYS 15 2HB CYS 15 3.538 -0.511 -4.943 110 2HB CYS 15 1HB CYS 15 4.987 -0.101 -5.713 111 H CYS 16 H CYS 16 5.958 2.285 -2.363 112 HA CYS 16 HA CYS 16 6.428 4.516 -3.781 113 1HB CYS 16 2HB CYS 16 8.213 3.059 -1.884 114 2HB CYS 16 1HB CYS 16 8.643 4.637 -2.472 115 HA PRO 17 HA PRO 17 7.895 6.069 -3.975 116 1HB PRO 17 2HB PRO 17 8.396 7.844 -5.851 117 2HB PRO 17 1HB PRO 17 9.750 6.873 -5.199 118 1HG PRO 17 2HG PRO 17 8.097 6.381 -7.739 119 2HG PRO 17 1HG PRO 17 9.851 6.404 -7.625 120 1HD PRO 17 2HD PRO 17 8.340 4.054 -7.439 121 2HD PRO 17 1HD PRO 17 9.925 4.207 -6.656 122 H MET 18 H MET 18 6.073 7.270 -3.988 123 HA MET 18 HA MET 18 4.016 7.423 -5.994 124 1HB MET 18 2HB MET 18 3.930 5.059 -4.706 125 2HB MET 18 1HB MET 18 3.045 6.040 -3.543 126 1HG MET 18 2HG MET 18 1.513 5.126 -5.214 127 2HG MET 18 1HG MET 18 1.556 6.840 -5.421 128 1HE MET 18 3HE MET 18 2.778 3.610 -6.141 129 2HE MET 18 2HE MET 18 2.512 3.394 -7.855 130 3HE MET 18 1HE MET 18 4.120 3.902 -7.237 131 H LYS 19 H LYS 19 2.129 8.470 -5.138 132 HA LYS 19 HA LYS 19 2.205 9.912 -2.624 133 1HB LYS 19 2HB LYS 19 3.615 11.387 -4.256 134 2HB LYS 19 1HB LYS 19 2.227 11.393 -5.323 135 1HG LYS 19 2HG LYS 19 0.961 12.280 -3.083 136 2HG LYS 19 1HG LYS 19 2.596 12.754 -2.632 137 1HD LYS 19 2HD LYS 19 2.739 13.938 -4.879 138 2HD LYS 19 1HD LYS 19 1.059 13.576 -5.121 139 1HE LYS 19 2HE LYS 19 0.869 15.718 -4.246 140 2HE LYS 19 1HE LYS 19 0.596 14.723 -2.834 141 1HZ LYS 19 2HZ LYS 19 3.390 15.305 -3.136 142 2HZ LYS 19 1HZ LYS 19 2.513 16.715 -3.187 143 3HZ LYS 19 3HZ LYS 19 2.341 15.723 -1.817 144 H CYS 20 H CYS 20 -0.350 10.461 -2.419 145 HA CYS 20 HA CYS 20 -1.646 8.801 -4.466 146 1HB CYS 20 2HB CYS 20 -2.038 9.228 -1.853 147 2HB CYS 20 1HB CYS 20 -3.258 10.304 -2.465 148 H ILE 21 H ILE 21 -2.556 9.793 -6.236 149 HA ILE 21 HA ILE 21 -2.279 12.738 -6.440 150 HB ILE 21 HB ILE 21 -2.533 10.631 -8.642 151 1HG1 ILE 21 2HG1 ILE 21 -0.504 10.157 -7.313 152 2HG1 ILE 21 1HG1 ILE 21 -0.003 10.949 -8.804 153 1HG2 ILE 21 1HG2 ILE 21 -1.627 13.528 -8.788 154 2HG2 ILE 21 3HG2 ILE 21 -1.628 12.363 -10.096 155 3HG2 ILE 21 2HG2 ILE 21 -3.143 12.889 -9.394 156 1HD1 ILE 21 1HD1 ILE 21 -0.012 12.959 -7.676 157 2HD1 ILE 21 3HD1 ILE 21 -0.238 12.219 -6.104 158 3HD1 ILE 21 2HD1 ILE 21 1.225 11.882 -7.043 159 H TYR 22 H TYR 22 -3.790 14.030 -7.068 160 HA TYR 22 HA TYR 22 -6.593 13.059 -7.253 161 1HB TYR 22 2HB TYR 22 -5.710 15.762 -6.207 162 2HB TYR 22 1HB TYR 22 -7.238 14.943 -5.896 163 HD1 TYR 22 HD1 TYR 22 -3.615 14.896 -5.192 164 HD2 TYR 22 HD2 TYR 22 -7.399 13.426 -3.934 165 HE1 TYR 22 HE1 TYR 22 -2.592 13.972 -3.201 166 HE2 TYR 22 HE2 TYR 22 -6.364 12.490 -1.927 167 HH TYR 22 HH TYR 22 -3.075 13.240 -1.089 168 H ALA 23 H ALA 23 -7.988 14.834 -8.318 169 HA ALA 23 HA ALA 23 -6.574 16.301 -10.467 170 1HB ALA 23 1HB ALA 23 -8.933 14.394 -10.883 171 2HB ALA 23 3HB ALA 23 -8.215 15.394 -12.134 172 3HB ALA 23 2HB ALA 23 -7.292 14.087 -11.415 173 H TRP 24 H TRP 24 -8.092 17.857 -11.447 174 HA TRP 24 HA TRP 24 -9.072 19.875 -10.254 175 1HB TRP 24 2HB TRP 24 -9.823 19.973 -12.441 176 2HB TRP 24 1HB TRP 24 -10.330 18.292 -12.469 177 HD1 TRP 24 HD1 TRP 24 -12.910 18.098 -12.742 178 HE1 TRP 24 HE1 TRP 24 -14.932 19.358 -11.980 179 HE3 TRP 24 HE3 TRP 24 -10.573 21.844 -10.273 180 HZ2 TRP 24 HZ2 TRP 24 -15.497 21.599 -10.545 181 HZ3 TRP 24 HZ3 TRP 24 -11.951 23.583 -9.188 182 HH2 TRP 24 HH2 TRP 24 -14.422 23.466 -9.327 183 H TYR 25 H TYR 25 -11.503 17.340 -10.315 184 HA TYR 25 HA TYR 25 -13.227 18.554 -8.378 185 1HB TYR 25 2HB TYR 25 -14.399 16.278 -8.525 186 2HB TYR 25 1HB TYR 25 -14.125 17.064 -10.078 187 HD1 TYR 25 HD1 TYR 25 -12.603 14.606 -7.698 188 HD2 TYR 25 HD2 TYR 25 -12.779 15.968 -11.728 189 HE1 TYR 25 HE1 TYR 25 -11.179 12.748 -8.386 190 HE2 TYR 25 HE2 TYR 25 -11.360 14.111 -12.411 191 HH TYR 25 HH TYR 25 -10.845 11.740 -11.496 192 H ASN 26 H ASN 26 -10.400 17.615 -7.627 193 HA ASN 26 HA ASN 26 -9.386 16.186 -5.965 194 1HB ASN 26 2HB ASN 26 -9.269 18.646 -5.720 195 2HB ASN 26 1HB ASN 26 -10.640 18.562 -4.615 196 1HD2 ASN 26 2HD2 ASN 26 -8.596 17.542 -1.895 197 2HD2 ASN 26 1HD2 ASN 26 -10.161 17.966 -2.419 198 H GLN 27 H GLN 27 -11.002 14.363 -5.955 199 HA GLN 27 HA GLN 27 -12.588 14.314 -3.408 200 1HB GLN 27 2HB GLN 27 -12.920 12.638 -5.940 201 2HB GLN 27 1HB GLN 27 -13.690 12.239 -4.425 202 1HG GLN 27 2HG GLN 27 -14.738 14.584 -4.462 203 2HG GLN 27 1HG GLN 27 -14.175 14.691 -6.125 204 1HE2 GLN 27 2HE2 GLN 27 -17.107 12.938 -7.091 205 2HE2 GLN 27 1HE2 GLN 27 -16.127 14.305 -7.351 206 H GLN 28 H GLN 28 -10.888 11.957 -5.403 207 HA GLN 28 HA GLN 28 -9.900 10.652 -2.901 208 1HB GLN 28 2HB GLN 28 -10.784 9.449 -5.571 209 2HB GLN 28 1HB GLN 28 -9.937 8.535 -4.343 210 1HG GLN 28 2HG GLN 28 -12.405 10.111 -3.525 211 2HG GLN 28 1HG GLN 28 -12.606 8.568 -4.324 212 1HE2 GLN 28 2HE2 GLN 28 -12.444 7.251 -1.044 213 2HE2 GLN 28 1HE2 GLN 28 -13.444 7.580 -2.382 214 H GLY 29 H GLY 29 -8.043 9.069 -3.662 215 1HA GLY 29 2HA GLY 29 -6.084 10.865 -5.089 216 2HA GLY 29 1HA GLY 29 -5.639 9.806 -3.760 217 H SER 30 H SER 30 -4.039 8.925 -5.196 218 HA SER 30 HA SER 30 -4.758 6.457 -6.450 219 1HB SER 30 2HB SER 30 -4.117 7.123 -8.834 220 2HB SER 30 1HB SER 30 -5.661 7.801 -8.287 221 HG SER 30 HG SER 30 -4.778 9.688 -7.974 222 H CYS 31 H CYS 31 -3.170 5.119 -6.861 223 HA CYS 31 HA CYS 31 -0.625 5.807 -5.684 224 1HB CYS 31 2HB CYS 31 -1.987 3.535 -5.874 225 2HB CYS 31 1HB CYS 31 -1.177 3.366 -7.395 226 H GLN 32 H GLN 32 -0.096 7.653 -6.966 227 HA GLN 32 HA GLN 32 1.117 7.037 -9.628 228 1HB GLN 32 2HB GLN 32 -0.992 7.885 -10.057 229 2HB GLN 32 1HB GLN 32 -0.920 9.126 -8.917 230 1HG GLN 32 2HG GLN 32 -0.279 10.306 -10.952 231 2HG GLN 32 1HG GLN 32 1.314 9.670 -10.563 232 1HE2 GLN 32 2HE2 GLN 32 -0.748 8.163 -13.677 233 2HE2 GLN 32 1HE2 GLN 32 -1.429 9.312 -12.620 234 H THR 33 H THR 33 3.123 7.569 -9.661 235 HA THR 33 HA THR 33 4.047 9.032 -7.293 236 HB THR 33 HB THR 33 4.788 6.818 -7.597 237 HG1 THR 33 HG1 THR 33 6.969 8.691 -7.916 238 1HG2 THR 33 2HG2 THR 33 5.106 6.540 -9.951 239 2HG2 THR 33 1HG2 THR 33 6.474 7.681 -9.868 240 3HG2 THR 33 3HG2 THR 33 6.501 6.170 -8.949 241 H THR 34 H THR 34 3.128 10.853 -8.646 242 HA THR 34 HA THR 34 5.381 12.244 -9.977 243 HB THR 34 HB THR 34 3.728 11.235 -11.772 244 HG1 THR 34 HG1 THR 34 4.192 12.995 -12.817 245 1HG2 THR 34 3HG2 THR 34 1.719 11.620 -10.199 246 2HG2 THR 34 2HG2 THR 34 1.897 13.333 -10.464 247 3HG2 THR 34 1HG2 THR 34 1.481 12.282 -11.811 248 H ILE 35 H ILE 35 4.960 14.298 -10.513 249 HA ILE 35 HA ILE 35 4.715 16.536 -9.984 250 HB ILE 35 HB ILE 35 2.250 15.480 -9.190 251 1HG1 ILE 35 2HG1 ILE 35 1.582 17.895 -8.641 252 2HG1 ILE 35 1HG1 ILE 35 3.281 18.315 -8.777 253 1HG2 ILE 35 2HG2 ILE 35 3.366 16.703 -6.647 254 2HG2 ILE 35 1HG2 ILE 35 1.689 16.258 -6.942 255 3HG2 ILE 35 3HG2 ILE 35 2.894 15.025 -6.855 256 1HD1 ILE 35 1HD1 ILE 35 3.270 17.468 -11.161 257 2HD1 ILE 35 3HD1 ILE 35 1.582 17.041 -10.980 258 3HD1 ILE 35 2HD1 ILE 35 2.079 18.717 -10.912 259 H THR 36 H THR 36 4.616 14.412 -7.250 260 HA THR 36 HA THR 36 7.241 15.392 -6.292 261 HB THR 36 HB THR 36 6.256 15.557 -3.839 262 HG1 THR 36 HG1 THR 36 4.126 15.022 -5.449 263 1HG2 THR 36 1HG2 THR 36 5.092 17.578 -5.856 264 2HG2 THR 36 3HG2 THR 36 5.292 17.820 -4.130 265 3HG2 THR 36 2HG2 THR 36 6.694 17.685 -5.174 266 H GLY 37 H GLY 37 6.045 12.976 -7.479 267 1HA GLY 37 2HA GLY 37 6.158 10.978 -5.277 268 2HA GLY 37 1HA GLY 37 5.807 10.633 -6.977 269 H LEU 38 H LEU 38 8.278 12.258 -5.256 270 HA LEU 38 HA LEU 38 10.366 10.342 -5.932 271 1HB LEU 38 2HB LEU 38 10.154 11.563 -8.046 272 2HB LEU 38 1HB LEU 38 10.251 13.101 -7.222 273 HG LEU 38 HG LEU 38 12.530 11.035 -7.091 274 1HD1 LEU 38 2HD1 LEU 38 12.163 13.237 -9.189 275 2HD1 LEU 38 1HD1 LEU 38 13.582 12.213 -9.023 276 3HD1 LEU 38 3HD1 LEU 38 12.050 11.510 -9.498 277 1HD2 LEU 38 2HD2 LEU 38 12.548 14.089 -6.878 278 2HD2 LEU 38 1HD2 LEU 38 12.736 13.012 -5.509 279 3HD2 LEU 38 3HD2 LEU 38 13.956 13.055 -6.744 280 H PHE 39 H PHE 39 9.526 13.591 -4.822 281 HA PHE 39 HA PHE 39 11.837 13.747 -3.022 282 1HB PHE 39 2HB PHE 39 9.331 15.477 -2.864 283 2HB PHE 39 1HB PHE 39 10.954 15.914 -2.396 284 HD1 PHE 39 HD1 PHE 39 12.750 15.778 -4.468 285 HD2 PHE 39 HD2 PHE 39 8.542 16.279 -4.866 286 HE1 PHE 39 HE1 PHE 39 13.067 16.723 -6.715 287 HE2 PHE 39 HE2 PHE 39 8.854 17.216 -7.118 288 HZ PHE 39 HZ PHE 39 11.128 17.441 -8.040 289 H LYS 40 H LYS 40 10.359 11.418 -2.659 290 HA LYS 40 HA LYS 40 9.383 11.797 0.109 291 1HB LYS 40 2HB LYS 40 7.311 11.490 -1.205 292 2HB LYS 40 1HB LYS 40 8.043 10.176 -2.121 293 1HG LYS 40 2HG LYS 40 8.078 8.701 -0.307 294 2HG LYS 40 1HG LYS 40 7.976 9.988 0.874 295 1HD LYS 40 2HD LYS 40 5.528 10.176 0.380 296 2HD LYS 40 1HD LYS 40 5.695 9.058 -0.967 297 1HE LYS 40 2HE LYS 40 4.904 7.923 1.182 298 2HE LYS 40 1HE LYS 40 6.360 7.218 0.495 299 1HZ LYS 40 2HZ LYS 40 7.027 9.372 2.193 300 2HZ LYS 40 1HZ LYS 40 6.062 8.254 3.054 301 3HZ LYS 40 3HZ LYS 40 7.504 7.740 2.312 302 H LYS 41 H LYS 41 11.422 11.066 0.832 303 HA LYS 41 HA LYS 41 12.676 8.694 -0.178 304 1HB LYS 41 2HB LYS 41 13.863 8.725 2.066 305 2HB LYS 41 1HB LYS 41 13.878 10.301 1.295 306 1HG LYS 41 2HG LYS 41 11.654 10.738 2.704 307 2HG LYS 41 1HG LYS 41 12.149 9.325 3.604 308 1HD LYS 41 2HD LYS 41 14.290 10.377 4.179 309 2HD LYS 41 1HD LYS 41 13.875 11.794 3.219 310 1HE LYS 41 2HE LYS 41 11.867 12.192 4.682 311 2HE LYS 41 1HE LYS 41 12.303 10.787 5.645 312 1HZ LYS 41 1HZ LYS 41 14.557 12.441 5.432 313 2HZ LYS 41 3HZ LYS 41 13.257 13.417 5.915 314 3HZ LYS 41 2HZ LYS 41 13.670 12.040 6.816 315 H CYS 42 H CYS 42 12.080 6.551 0.155 316 HA CYS 42 HA CYS 42 10.076 5.871 2.231 317 1HB CYS 42 2HB CYS 42 9.230 6.108 -0.373 318 2HB CYS 42 1HB CYS 42 10.019 4.566 -0.495 No H/Q in entry = 318 Start of MODEL 6 1 1H CYS 1 2H CYS 1 1.445 -1.945 0.059 2 2H CYS 1 1H CYS 1 3.013 -2.578 0.278 3 3H CYS 1 3H CYS 1 2.676 -0.912 0.485 4 HA CYS 1 HA CYS 1 3.121 -0.531 -1.619 5 1HB CYS 1 2HB CYS 1 3.695 -3.447 -1.501 6 2HB CYS 1 1HB CYS 1 3.287 -2.890 -3.091 7 H ALA 2 H ALA 2 1.680 0.193 -3.051 8 HA ALA 2 HA ALA 2 -0.768 -1.391 -3.704 9 1HB ALA 2 1HB ALA 2 -1.259 0.787 -2.425 10 2HB ALA 2 3HB ALA 2 -0.484 1.687 -3.711 11 3HB ALA 2 2HB ALA 2 -1.938 0.784 -4.033 12 H LYS 3 H LYS 3 -1.489 0.080 -6.004 13 HA LYS 3 HA LYS 3 0.915 0.271 -7.670 14 1HB LYS 3 2HB LYS 3 0.263 -2.142 -7.739 15 2HB LYS 3 1HB LYS 3 -1.351 -1.706 -8.253 16 1HG LYS 3 2HG LYS 3 -0.689 -1.699 -10.447 17 2HG LYS 3 1HG LYS 3 0.473 -0.446 -10.122 18 1HD LYS 3 2HD LYS 3 1.667 -2.275 -11.111 19 2HD LYS 3 1HD LYS 3 2.156 -2.158 -9.430 20 1HE LYS 3 2HE LYS 3 0.637 -4.061 -8.839 21 2HE LYS 3 1HE LYS 3 0.044 -4.113 -10.486 22 1HZ LYS 3 2HZ LYS 3 2.850 -4.305 -10.606 23 2HZ LYS 3 1HZ LYS 3 2.330 -5.365 -9.400 24 3HZ LYS 3 3HZ LYS 3 1.729 -5.522 -10.966 25 H LYS 4 H LYS 4 0.662 1.583 -9.269 26 HA LYS 4 HA LYS 4 -1.286 3.599 -9.306 27 1HB LYS 4 2HB LYS 4 -0.231 4.120 -11.601 28 2HB LYS 4 1HB LYS 4 0.863 4.101 -10.234 29 1HG LYS 4 2HG LYS 4 1.677 1.861 -10.805 30 2HG LYS 4 1HG LYS 4 0.403 1.603 -11.976 31 1HD LYS 4 2HD LYS 4 2.641 3.656 -12.193 32 2HD LYS 4 1HD LYS 4 2.672 2.069 -12.946 33 1HE LYS 4 2HE LYS 4 0.509 2.725 -14.183 34 2HE LYS 4 1HE LYS 4 0.717 4.349 -13.545 35 1HZ LYS 4 2HZ LYS 4 3.162 3.552 -14.679 36 2HZ LYS 4 1HZ LYS 4 1.925 3.218 -15.804 37 3HZ LYS 4 3HZ LYS 4 2.124 4.790 -15.165 38 H ARG 5 H ARG 5 -3.156 2.157 -9.282 39 HA ARG 5 HA ARG 5 -4.527 1.948 -11.869 40 1HB ARG 5 2HB ARG 5 -3.436 -0.321 -11.595 41 2HB ARG 5 1HB ARG 5 -4.239 -0.494 -10.036 42 1HG ARG 5 2HG ARG 5 -6.483 -0.084 -11.356 43 2HG ARG 5 1HG ARG 5 -5.549 -0.372 -12.805 44 1HD ARG 5 2HD ARG 5 -5.905 -2.279 -10.451 45 2HD ARG 5 1HD ARG 5 -6.600 -2.465 -12.057 46 HE ARG 5 HE ARG 5 -3.625 -2.397 -11.647 47 1HH1 ARG 5 2HH1 ARG 5 -4.524 -2.575 -14.367 48 2HH1 ARG 5 1HH1 ARG 5 -4.623 -4.258 -14.724 49 1HH2 ARG 5 1HH2 ARG 5 -4.595 -4.987 -11.223 50 2HH2 ARG 5 2HH2 ARG 5 -4.658 -5.771 -12.757 51 H ASN 6 H ASN 6 -4.398 1.113 -8.537 52 HA ASN 6 HA ASN 6 -7.180 2.172 -7.877 53 1HB ASN 6 2HB ASN 6 -5.276 0.346 -6.290 54 2HB ASN 6 1HB ASN 6 -6.835 0.920 -5.718 55 1HD2 ASN 6 2HD2 ASN 6 -6.968 -2.520 -7.457 56 2HD2 ASN 6 1HD2 ASN 6 -5.706 -1.923 -6.494 57 H TRP 7 H TRP 7 -7.174 3.234 -5.828 58 HA TRP 7 HA TRP 7 -4.678 4.853 -5.724 59 1HB TRP 7 2HB TRP 7 -6.059 6.738 -5.190 60 2HB TRP 7 1HB TRP 7 -6.625 6.013 -6.688 61 HD1 TRP 7 HD1 TRP 7 -7.667 5.256 -3.131 62 HE1 TRP 7 HE1 TRP 7 -10.150 5.767 -2.879 63 HE3 TRP 7 HE3 TRP 7 -8.495 6.703 -7.791 64 HZ2 TRP 7 HZ2 TRP 7 -12.172 6.586 -4.499 65 HZ3 TRP 7 HZ3 TRP 7 -10.772 7.349 -8.508 66 HH2 TRP 7 HH2 TRP 7 -12.644 7.286 -6.852 67 H CYS 8 H CYS 8 -4.495 6.053 -3.927 68 HA CYS 8 HA CYS 8 -4.810 4.386 -1.461 69 1HB CYS 8 2HB CYS 8 -2.834 6.148 -0.912 70 2HB CYS 8 1HB CYS 8 -2.531 4.695 -1.841 71 H GLY 9 H GLY 9 -5.921 7.041 -3.085 72 1HA GLY 9 2HA GLY 9 -7.635 8.582 -2.535 73 2HA GLY 9 1HA GLY 9 -7.579 8.005 -0.857 74 H LYS 10 H LYS 10 -5.381 8.329 0.082 75 HA LYS 10 HA LYS 10 -4.023 10.919 -0.370 76 1HB LYS 10 2HB LYS 10 -5.419 11.437 1.539 77 2HB LYS 10 1HB LYS 10 -5.524 9.756 2.024 78 1HG LYS 10 2HG LYS 10 -3.092 9.869 2.752 79 2HG LYS 10 1HG LYS 10 -3.102 11.586 2.506 80 1HD LYS 10 2HD LYS 10 -4.775 9.836 4.382 81 2HD LYS 10 1HD LYS 10 -3.488 10.896 4.855 82 1HE LYS 10 2HE LYS 10 -6.310 11.575 3.854 83 2HE LYS 10 1HE LYS 10 -5.594 12.026 5.394 84 1HZ LYS 10 2HZ LYS 10 -3.983 13.025 3.316 85 2HZ LYS 10 1HZ LYS 10 -5.585 13.485 3.003 86 3HZ LYS 10 3HZ LYS 10 -4.845 13.893 4.483 87 H ASN 11 H ASN 11 -1.926 10.785 0.752 88 HA ASN 11 HA ASN 11 -0.133 9.114 -0.177 89 1HB ASN 11 2HB ASN 11 -0.310 10.444 2.476 90 2HB ASN 11 1HB ASN 11 0.778 9.066 2.478 91 1HD2 ASN 11 2HD2 ASN 11 3.244 10.795 0.694 92 2HD2 ASN 11 1HD2 ASN 11 2.867 9.530 1.751 93 H GLU 12 H GLU 12 -2.245 8.015 2.262 94 HA GLU 12 HA GLU 12 -2.110 5.983 3.590 95 1HB GLU 12 2HB GLU 12 -3.848 6.375 1.648 96 2HB GLU 12 1HB GLU 12 -3.024 5.083 0.833 97 1HG GLU 12 2HG GLU 12 -3.601 3.552 2.677 98 2HG GLU 12 1HG GLU 12 -4.299 4.896 3.585 99 H ASP 13 H ASP 13 -1.832 3.656 1.186 100 HA ASP 13 HA ASP 13 1.089 3.210 1.747 101 1HB ASP 13 2HB ASP 13 -0.053 1.410 3.026 102 2HB ASP 13 1HB ASP 13 -1.110 1.064 1.658 103 H CYS 14 H CYS 14 2.240 2.853 -0.023 104 HA CYS 14 HA CYS 14 1.078 1.837 -2.524 105 1HB CYS 14 2HB CYS 14 1.980 4.651 -2.090 106 2HB CYS 14 1HB CYS 14 2.374 3.857 -3.612 107 H CYS 15 H CYS 15 2.818 1.619 -4.114 108 HA CYS 15 HA CYS 15 5.132 0.416 -2.655 109 1HB CYS 15 2HB CYS 15 3.506 -0.439 -4.706 110 2HB CYS 15 1HB CYS 15 4.802 0.231 -5.594 111 H CYS 16 H CYS 16 5.848 2.350 -2.026 112 HA CYS 16 HA CYS 16 6.385 4.640 -3.346 113 1HB CYS 16 2HB CYS 16 8.274 4.787 -1.666 114 2HB CYS 16 1HB CYS 16 6.691 4.453 -1.021 115 HA PRO 17 HA PRO 17 7.811 6.138 -3.633 116 1HB PRO 17 2HB PRO 17 8.462 7.770 -5.579 117 2HB PRO 17 1HB PRO 17 9.770 6.853 -4.793 118 1HG PRO 17 2HG PRO 17 8.258 6.154 -7.382 119 2HG PRO 17 1HG PRO 17 10.006 6.187 -7.154 120 1HD PRO 17 2HD PRO 17 8.473 3.847 -6.871 121 2HD PRO 17 1HD PRO 17 10.018 4.079 -6.041 122 H MET 18 H MET 18 6.023 7.193 -3.792 123 HA MET 18 HA MET 18 4.016 7.349 -5.861 124 1HB MET 18 2HB MET 18 3.867 5.014 -4.481 125 2HB MET 18 1HB MET 18 2.961 6.078 -3.410 126 1HG MET 18 2HG MET 18 1.501 5.115 -5.124 127 2HG MET 18 1HG MET 18 1.539 6.828 -5.274 128 1HE MET 18 1HE MET 18 2.402 3.496 -6.347 129 2HE MET 18 3HE MET 18 3.290 3.601 -7.855 130 3HE MET 18 2HE MET 18 4.104 4.028 -6.345 131 H LYS 19 H LYS 19 2.234 8.468 -5.079 132 HA LYS 19 HA LYS 19 2.265 9.970 -2.598 133 1HB LYS 19 2HB LYS 19 3.601 11.501 -4.112 134 2HB LYS 19 1HB LYS 19 2.462 11.218 -5.407 135 1HG LYS 19 2HG LYS 19 2.009 13.423 -4.376 136 2HG LYS 19 1HG LYS 19 0.657 12.365 -4.138 137 1HD LYS 19 2HD LYS 19 1.294 11.876 -1.843 138 2HD LYS 19 1HD LYS 19 2.823 12.721 -2.017 139 1HE LYS 19 2HE LYS 19 1.641 14.860 -2.261 140 2HE LYS 19 1HE LYS 19 0.072 14.067 -2.290 141 1HZ LYS 19 1HZ LYS 19 1.451 13.245 0.038 142 2HZ LYS 19 3HZ LYS 19 1.492 14.957 -0.043 143 3HZ LYS 19 2HZ LYS 19 0.019 14.115 -0.066 144 H CYS 20 H CYS 20 -0.216 10.657 -2.450 145 HA CYS 20 HA CYS 20 -1.619 8.922 -4.386 146 1HB CYS 20 2HB CYS 20 -2.001 9.124 -1.777 147 2HB CYS 20 1HB CYS 20 -3.125 10.388 -2.283 148 H ILE 21 H ILE 21 -2.446 10.033 -6.098 149 HA ILE 21 HA ILE 21 -2.214 12.953 -6.141 150 HB ILE 21 HB ILE 21 -2.468 10.753 -8.187 151 1HG1 ILE 21 2HG1 ILE 21 -0.295 11.115 -7.201 152 2HG1 ILE 21 1HG1 ILE 21 -0.268 11.611 -8.885 153 1HG2 ILE 21 3HG2 ILE 21 -2.411 13.678 -9.106 154 2HG2 ILE 21 2HG2 ILE 21 -2.238 12.277 -10.128 155 3HG2 ILE 21 1HG2 ILE 21 -3.749 12.553 -9.312 156 1HD1 ILE 21 2HD1 ILE 21 -0.600 13.642 -6.612 157 2HD1 ILE 21 1HD1 ILE 21 0.775 13.080 -7.393 158 3HD1 ILE 21 3HD1 ILE 21 -0.408 13.948 -8.338 159 H TYR 22 H TYR 22 -3.551 14.092 -7.672 160 HA TYR 22 HA TYR 22 -6.405 13.508 -7.162 161 1HB TYR 22 2HB TYR 22 -4.837 16.080 -6.700 162 2HB TYR 22 1HB TYR 22 -6.567 15.904 -6.316 163 HD1 TYR 22 HD2 TYR 22 -7.130 13.800 -4.699 164 HD2 TYR 22 HD1 TYR 22 -3.246 15.487 -5.217 165 HE1 TYR 22 HE2 TYR 22 -6.336 12.603 -2.720 166 HE2 TYR 22 HE1 TYR 22 -2.465 14.303 -3.261 167 HH TYR 22 HH TYR 22 -3.184 12.148 -2.158 168 H ALA 23 H ALA 23 -7.740 14.780 -8.624 169 HA ALA 23 HA ALA 23 -6.397 15.505 -11.189 170 1HB ALA 23 3HB ALA 23 -7.513 13.209 -11.304 171 2HB ALA 23 2HB ALA 23 -9.031 13.940 -10.814 172 3HB ALA 23 1HB ALA 23 -8.309 14.348 -12.366 173 H TRP 24 H TRP 24 -9.166 16.126 -12.178 174 HA TRP 24 HA TRP 24 -9.299 18.852 -11.180 175 1HB TRP 24 2HB TRP 24 -11.194 19.094 -12.664 176 2HB TRP 24 1HB TRP 24 -10.213 17.902 -13.490 177 HD1 TRP 24 HD1 TRP 24 -11.298 15.307 -13.562 178 HE1 TRP 24 HE1 TRP 24 -13.555 14.409 -12.912 179 HE3 TRP 24 HE3 TRP 24 -12.967 19.352 -11.129 180 HZ2 TRP 24 HZ2 TRP 24 -15.797 15.320 -11.536 181 HZ3 TRP 24 HZ3 TRP 24 -15.189 19.341 -10.130 182 HH2 TRP 24 HH2 TRP 24 -16.637 17.309 -10.327 183 H TYR 25 H TYR 25 -10.615 15.827 -10.270 184 HA TYR 25 HA TYR 25 -12.783 16.612 -8.684 185 1HB TYR 25 2HB TYR 25 -11.016 14.196 -8.801 186 2HB TYR 25 1HB TYR 25 -11.784 14.419 -7.246 187 HD1 TYR 25 HD1 TYR 25 -14.329 15.168 -7.368 188 HD2 TYR 25 HD2 TYR 25 -12.279 13.098 -10.484 189 HE1 TYR 25 HE1 TYR 25 -16.445 14.448 -8.238 190 HE2 TYR 25 HE2 TYR 25 -14.428 12.362 -11.365 191 HH TYR 25 HH TYR 25 -17.384 12.725 -9.709 192 H ASN 26 H ASN 26 -13.003 16.392 -6.387 193 HA ASN 26 HA ASN 26 -10.748 17.622 -4.877 194 1HB ASN 26 2HB ASN 26 -12.498 19.228 -5.756 195 2HB ASN 26 1HB ASN 26 -13.633 18.468 -4.639 196 1HD2 ASN 26 2HD2 ASN 26 -12.151 20.015 -1.784 197 2HD2 ASN 26 1HD2 ASN 26 -13.321 18.909 -2.347 198 H GLN 27 H GLN 27 -11.174 14.953 -4.611 199 HA GLN 27 HA GLN 27 -11.793 14.733 -1.789 200 1HB GLN 27 2HB GLN 27 -14.122 14.671 -2.470 201 2HB GLN 27 1HB GLN 27 -13.806 13.503 -3.738 202 1HG GLN 27 2HG GLN 27 -13.255 11.756 -2.073 203 2HG GLN 27 1HG GLN 27 -13.330 12.924 -0.766 204 1HE2 GLN 27 2HE2 GLN 27 -16.735 11.232 -2.116 205 2HE2 GLN 27 1HE2 GLN 27 -15.259 10.915 -2.914 206 H GLN 28 H GLN 28 -11.669 12.605 -4.669 207 HA GLN 28 HA GLN 28 -9.991 10.763 -3.029 208 1HB GLN 28 2HB GLN 28 -10.569 9.151 -5.054 209 2HB GLN 28 1HB GLN 28 -11.816 9.486 -3.883 210 1HG GLN 28 2HG GLN 28 -11.600 11.054 -6.492 211 2HG GLN 28 1HG GLN 28 -12.515 9.571 -6.373 212 1HE2 GLN 28 2HE2 GLN 28 -14.487 12.788 -5.476 213 2HE2 GLN 28 1HE2 GLN 28 -13.231 12.677 -6.611 214 H GLY 29 H GLY 29 -8.430 9.395 -4.330 215 1HA GLY 29 2HA GLY 29 -7.007 11.119 -6.288 216 2HA GLY 29 1HA GLY 29 -6.179 10.664 -4.797 217 H SER 30 H SER 30 -4.454 9.774 -6.210 218 HA SER 30 HA SER 30 -5.048 6.959 -6.856 219 1HB SER 30 2HB SER 30 -4.070 7.207 -9.187 220 2HB SER 30 1HB SER 30 -5.580 8.097 -8.952 221 HG SER 30 HG SER 30 -4.508 9.843 -9.353 222 H CYS 31 H CYS 31 -3.180 5.537 -7.317 223 HA CYS 31 HA CYS 31 -0.977 6.319 -5.520 224 1HB CYS 31 2HB CYS 31 -2.224 4.014 -5.756 225 2HB CYS 31 1HB CYS 31 -1.280 3.808 -7.177 226 H GLN 32 H GLN 32 -0.069 8.066 -6.792 227 HA GLN 32 HA GLN 32 1.405 7.168 -9.228 228 1HB GLN 32 2HB GLN 32 0.841 10.018 -8.974 229 2HB GLN 32 1HB GLN 32 0.856 9.010 -10.395 230 1HG GLN 32 2HG GLN 32 -1.429 8.967 -8.376 231 2HG GLN 32 1HG GLN 32 -1.439 9.932 -9.832 232 1HE2 GLN 32 2HE2 GLN 32 -2.365 7.285 -11.873 233 2HE2 GLN 32 1HE2 GLN 32 -1.915 8.927 -11.802 234 H THR 33 H THR 33 3.527 7.864 -9.453 235 HA THR 33 HA THR 33 4.573 9.058 -6.961 236 HB THR 33 HB THR 33 5.438 7.124 -7.141 237 HG1 THR 33 HG1 THR 33 7.324 8.808 -8.400 238 1HG2 THR 33 3HG2 THR 33 6.235 7.519 -9.961 239 2HG2 THR 33 2HG2 THR 33 6.700 6.189 -8.874 240 3HG2 THR 33 1HG2 THR 33 5.004 6.387 -9.315 241 H THR 34 H THR 34 3.572 10.954 -8.430 242 HA THR 34 HA THR 34 5.896 12.357 -9.505 243 HB THR 34 HB THR 34 4.757 11.382 -11.581 244 HG1 THR 34 HG1 THR 34 3.845 13.844 -11.958 245 1HG2 THR 34 2HG2 THR 34 2.285 12.873 -10.468 246 2HG2 THR 34 1HG2 THR 34 2.347 11.958 -11.974 247 3HG2 THR 34 3HG2 THR 34 2.489 11.135 -10.439 248 H ILE 35 H ILE 35 5.477 14.554 -9.809 249 HA ILE 35 HA ILE 35 4.838 16.653 -9.041 250 HB ILE 35 HB ILE 35 2.374 15.367 -9.162 251 1HG1 ILE 35 2HG1 ILE 35 1.367 17.593 -8.340 252 2HG1 ILE 35 1HG1 ILE 35 2.990 18.094 -7.912 253 1HG2 ILE 35 1HG2 ILE 35 2.455 14.497 -6.757 254 2HG2 ILE 35 3HG2 ILE 35 2.633 16.138 -6.221 255 3HG2 ILE 35 2HG2 ILE 35 1.171 15.617 -7.051 256 1HD1 ILE 35 3HD1 ILE 35 3.694 17.819 -10.319 257 2HD1 ILE 35 2HD1 ILE 35 2.064 17.308 -10.713 258 3HD1 ILE 35 1HD1 ILE 35 2.365 18.942 -10.157 259 H THR 36 H THR 36 4.405 14.009 -6.753 260 HA THR 36 HA THR 36 6.484 15.171 -5.004 261 HB THR 36 HB THR 36 3.712 14.348 -3.926 262 HG1 THR 36 HG1 THR 36 4.692 16.662 -5.037 263 1HG2 THR 36 3HG2 THR 36 5.949 15.985 -2.615 264 2HG2 THR 36 2HG2 THR 36 4.439 15.529 -1.869 265 3HG2 THR 36 1HG2 THR 36 5.635 14.301 -2.232 266 H GLY 37 H GLY 37 6.395 13.063 -6.804 267 1HA GLY 37 2HA GLY 37 6.301 10.565 -5.178 268 2HA GLY 37 1HA GLY 37 6.621 10.680 -6.924 269 H LEU 38 H LEU 38 8.402 12.725 -6.767 270 HA LEU 38 HA LEU 38 10.810 11.158 -6.121 271 1HB LEU 38 2HB LEU 38 10.597 12.175 -8.275 272 2HB LEU 38 1HB LEU 38 10.102 13.684 -7.570 273 HG LEU 38 HG LEU 38 12.445 14.033 -6.677 274 1HD1 LEU 38 3HD1 LEU 38 13.069 11.398 -8.105 275 2HD1 LEU 38 2HD1 LEU 38 14.246 12.457 -7.346 276 3HD1 LEU 38 1HD1 LEU 38 13.059 11.631 -6.364 277 1HD2 LEU 38 3HD2 LEU 38 11.900 14.873 -8.937 278 2HD2 LEU 38 2HD2 LEU 38 13.572 14.361 -8.846 279 3HD2 LEU 38 1HD2 LEU 38 12.389 13.339 -9.641 280 H PHE 39 H PHE 39 8.781 13.177 -4.535 281 HA PHE 39 HA PHE 39 10.935 14.442 -2.888 282 1HB PHE 39 2HB PHE 39 7.932 14.958 -2.821 283 2HB PHE 39 1HB PHE 39 9.169 15.914 -2.045 284 HD1 PHE 39 HD2 PHE 39 10.912 15.462 -4.911 285 HD2 PHE 39 HD1 PHE 39 7.211 17.216 -3.716 286 HE1 PHE 39 HE2 PHE 39 10.975 16.917 -6.853 287 HE2 PHE 39 HE1 PHE 39 7.278 18.667 -5.668 288 HZ PHE 39 HZ PHE 39 9.164 18.539 -7.250 289 H LYS 40 H LYS 40 10.570 11.634 -2.660 290 HA LYS 40 HA LYS 40 9.613 11.585 0.165 291 1HB LYS 40 2HB LYS 40 7.733 10.784 -1.209 292 2HB LYS 40 1HB LYS 40 8.727 9.597 -2.006 293 1HG LYS 40 2HG LYS 40 8.660 9.517 1.022 294 2HG LYS 40 1HG LYS 40 7.180 9.060 0.197 295 1HD LYS 40 2HD LYS 40 8.225 7.179 -0.882 296 2HD LYS 40 1HD LYS 40 9.820 7.805 -0.668 297 1HE LYS 40 2HE LYS 40 9.564 5.990 0.898 298 2HE LYS 40 1HE LYS 40 9.600 7.476 1.824 299 1HZ LYS 40 2HZ LYS 40 6.931 6.944 1.074 300 2HZ LYS 40 1HZ LYS 40 7.606 5.539 1.755 301 3HZ LYS 40 3HZ LYS 40 7.613 6.985 2.637 302 H LYS 41 H LYS 41 10.898 9.284 -2.146 303 HA LYS 41 HA LYS 41 12.817 7.937 -2.179 304 1HB LYS 41 2HB LYS 41 13.618 9.373 0.405 305 2HB LYS 41 1HB LYS 41 14.560 8.160 -0.407 306 1HG LYS 41 2HG LYS 41 14.573 9.683 -2.491 307 2HG LYS 41 1HG LYS 41 13.757 10.895 -1.523 308 1HD LYS 41 2HD LYS 41 16.117 11.419 -1.468 309 2HD LYS 41 1HD LYS 41 15.665 10.828 0.121 310 1HE LYS 41 2HE LYS 41 16.553 8.514 -0.551 311 2HE LYS 41 1HE LYS 41 17.073 9.209 -2.075 312 1HZ LYS 41 1HZ LYS 41 18.028 10.829 0.008 313 2HZ LYS 41 3HZ LYS 41 18.402 9.223 0.390 314 3HZ LYS 41 2HZ LYS 41 18.935 9.876 -1.070 315 H CYS 42 H CYS 42 12.717 5.789 -1.649 316 HA CYS 42 HA CYS 42 11.795 5.063 1.083 317 1HB CYS 42 2HB CYS 42 10.262 4.728 -1.296 318 2HB CYS 42 1HB CYS 42 11.073 3.205 -1.144 No H/Q in entry = 318 Start of MODEL 7 1 1H CYS 1 1H CYS 1 1.041 -0.252 0.134 2 2H CYS 1 3H CYS 1 2.451 -0.974 0.757 3 3H CYS 1 2H CYS 1 2.482 0.646 0.240 4 HA CYS 1 HA CYS 1 3.039 0.037 -1.788 5 1HB CYS 1 2HB CYS 1 4.219 -1.722 -0.905 6 2HB CYS 1 1HB CYS 1 2.772 -2.740 -0.791 7 H ALA 2 H ALA 2 1.416 0.673 -3.156 8 HA ALA 2 HA ALA 2 -0.797 -1.198 -3.831 9 1HB ALA 2 2HB ALA 2 -1.690 0.805 -2.510 10 2HB ALA 2 1HB ALA 2 -0.978 1.878 -3.694 11 3HB ALA 2 3HB ALA 2 -2.280 0.809 -4.163 12 H LYS 3 H LYS 3 -1.522 -0.113 -6.243 13 HA LYS 3 HA LYS 3 0.995 0.716 -7.564 14 1HB LYS 3 2HB LYS 3 0.532 -1.843 -7.495 15 2HB LYS 3 1HB LYS 3 -0.739 -1.521 -8.650 16 1HG LYS 3 2HG LYS 3 0.780 -0.704 -10.322 17 2HG LYS 3 1HG LYS 3 2.117 -0.611 -9.195 18 1HD LYS 3 2HD LYS 3 0.735 -3.196 -10.062 19 2HD LYS 3 1HD LYS 3 2.245 -2.592 -10.726 20 1HE LYS 3 2HE LYS 3 3.235 -2.663 -8.360 21 2HE LYS 3 1HE LYS 3 1.774 -3.454 -7.809 22 1HZ LYS 3 2HZ LYS 3 2.688 -4.844 -10.073 23 2HZ LYS 3 1HZ LYS 3 3.992 -4.636 -9.003 24 3HZ LYS 3 3HZ LYS 3 2.576 -5.392 -8.477 25 H LYS 4 H LYS 4 0.740 2.001 -9.233 26 HA LYS 4 HA LYS 4 -1.333 3.738 -9.526 27 1HB LYS 4 2HB LYS 4 -0.351 4.214 -11.817 28 2HB LYS 4 1HB LYS 4 0.747 4.293 -10.463 29 1HG LYS 4 2HG LYS 4 1.637 2.001 -11.060 30 2HG LYS 4 1HG LYS 4 0.499 1.952 -12.399 31 1HD LYS 4 2HD LYS 4 1.603 3.928 -13.455 32 2HD LYS 4 1HD LYS 4 2.542 4.216 -12.017 33 1HE LYS 4 2HE LYS 4 3.901 3.171 -13.831 34 2HE LYS 4 1HE LYS 4 3.883 2.220 -12.357 35 1HZ LYS 4 3HZ LYS 4 1.697 1.437 -13.920 36 2HZ LYS 4 2HZ LYS 4 3.071 1.419 -14.935 37 3HZ LYS 4 1HZ LYS 4 3.067 0.513 -13.507 38 H ARG 5 H ARG 5 -3.265 2.540 -9.448 39 HA ARG 5 HA ARG 5 -4.642 2.145 -11.910 40 1HB ARG 5 2HB ARG 5 -3.209 -0.149 -11.567 41 2HB ARG 5 1HB ARG 5 -4.386 -0.468 -10.324 42 1HG ARG 5 2HG ARG 5 -5.149 -1.505 -12.421 43 2HG ARG 5 1HG ARG 5 -6.253 -0.251 -11.916 44 1HD ARG 5 2HD ARG 5 -5.606 -0.215 -14.416 45 2HD ARG 5 1HD ARG 5 -5.472 1.315 -13.596 46 HE ARG 5 HE ARG 5 -2.979 0.834 -13.343 47 1HH1 ARG 5 2HH1 ARG 5 -3.832 -1.978 -14.341 48 2HH1 ARG 5 1HH1 ARG 5 -3.070 -2.077 -15.882 49 1HH2 ARG 5 1HH2 ARG 5 -2.505 1.449 -15.831 50 2HH2 ARG 5 2HH2 ARG 5 -2.255 0.053 -16.793 51 H ASN 6 H ASN 6 -4.287 1.111 -8.650 52 HA ASN 6 HA ASN 6 -7.118 1.929 -7.901 53 1HB ASN 6 2HB ASN 6 -5.145 0.050 -6.471 54 2HB ASN 6 1HB ASN 6 -6.721 0.524 -5.849 55 1HD2 ASN 6 2HD2 ASN 6 -6.636 -2.669 -8.091 56 2HD2 ASN 6 1HD2 ASN 6 -5.299 -2.071 -7.229 57 H TRP 7 H TRP 7 -7.145 2.896 -5.800 58 HA TRP 7 HA TRP 7 -4.700 4.591 -5.620 59 1HB TRP 7 2HB TRP 7 -6.130 6.289 -4.787 60 2HB TRP 7 1HB TRP 7 -6.769 5.714 -6.326 61 HD1 TRP 7 HD1 TRP 7 -7.478 4.405 -2.845 62 HE1 TRP 7 HE1 TRP 7 -9.942 4.653 -2.334 63 HE3 TRP 7 HE3 TRP 7 -8.801 6.537 -7.115 64 HZ2 TRP 7 HZ2 TRP 7 -12.140 5.587 -3.608 65 HZ3 TRP 7 HZ3 TRP 7 -11.187 7.128 -7.509 66 HH2 TRP 7 HH2 TRP 7 -12.873 6.643 -5.749 67 H CYS 8 H CYS 8 -4.431 5.618 -3.652 68 HA CYS 8 HA CYS 8 -4.422 3.671 -1.396 69 1HB CYS 8 2HB CYS 8 -2.590 5.589 -0.783 70 2HB CYS 8 1HB CYS 8 -2.221 4.205 -1.777 71 H GLY 9 H GLY 9 -5.929 6.387 -2.575 72 1HA GLY 9 2HA GLY 9 -7.713 7.641 -1.623 73 2HA GLY 9 1HA GLY 9 -7.349 6.928 -0.047 74 H LYS 10 H LYS 10 -5.093 7.414 0.677 75 HA LYS 10 HA LYS 10 -4.211 10.220 0.156 76 1HB LYS 10 2HB LYS 10 -3.825 10.476 2.614 77 2HB LYS 10 1HB LYS 10 -5.490 9.932 2.444 78 1HG LYS 10 2HG LYS 10 -5.036 7.765 3.281 79 2HG LYS 10 1HG LYS 10 -3.470 7.728 2.594 80 1HD LYS 10 2HD LYS 10 -2.750 7.863 4.691 81 2HD LYS 10 1HD LYS 10 -2.881 9.553 4.438 82 1HE LYS 10 2HE LYS 10 -5.082 7.766 5.665 83 2HE LYS 10 1HE LYS 10 -3.938 8.684 6.613 84 1HZ LYS 10 3HZ LYS 10 -5.104 10.371 4.719 85 2HZ LYS 10 2HZ LYS 10 -6.353 9.469 5.450 86 3HZ LYS 10 1HZ LYS 10 -5.301 10.389 6.416 87 H ASN 11 H ASN 11 -1.993 10.330 1.315 88 HA ASN 11 HA ASN 11 -0.432 8.401 -0.222 89 1HB ASN 11 2HB ASN 11 0.003 10.986 0.424 90 2HB ASN 11 1HB ASN 11 0.763 10.270 1.820 91 1HD2 ASN 11 2HD2 ASN 11 2.954 8.660 -1.012 92 2HD2 ASN 11 1HD2 ASN 11 1.575 7.932 -0.333 93 H GLU 12 H GLU 12 -1.883 6.892 1.538 94 HA GLU 12 HA GLU 12 -0.223 6.362 3.903 95 1HB GLU 12 2HB GLU 12 -3.002 6.006 3.273 96 2HB GLU 12 1HB GLU 12 -2.383 4.421 3.519 97 1HG GLU 12 2HG GLU 12 -1.840 4.661 5.684 98 2HG GLU 12 1HG GLU 12 -1.582 6.390 5.626 99 H ASP 13 H ASP 13 -1.620 3.871 1.776 100 HA ASP 13 HA ASP 13 0.956 2.411 2.113 101 1HB ASP 13 2HB ASP 13 -1.866 1.331 1.890 102 2HB ASP 13 1HB ASP 13 -0.442 0.321 1.900 103 H CYS 14 H CYS 14 1.211 3.903 -0.085 104 HA CYS 14 HA CYS 14 0.643 2.180 -2.506 105 1HB CYS 14 2HB CYS 14 0.390 4.775 -2.459 106 2HB CYS 14 1HB CYS 14 2.145 4.757 -2.532 107 H CYS 15 H CYS 15 2.528 1.962 -3.912 108 HA CYS 15 HA CYS 15 4.879 1.008 -2.343 109 1HB CYS 15 2HB CYS 15 3.227 -0.214 -4.231 110 2HB CYS 15 1HB CYS 15 4.530 0.312 -5.200 111 H CYS 16 H CYS 16 6.146 2.606 -2.220 112 HA CYS 16 HA CYS 16 6.455 4.955 -3.463 113 1HB CYS 16 2HB CYS 16 8.600 3.160 -2.466 114 2HB CYS 16 1HB CYS 16 8.800 4.868 -2.738 115 HA PRO 17 HA PRO 17 7.700 6.479 -3.800 116 1HB PRO 17 2HB PRO 17 8.827 8.380 -5.166 117 2HB PRO 17 1HB PRO 17 9.839 6.999 -4.675 118 1HG PRO 17 2HG PRO 17 8.422 7.422 -7.380 119 2HG PRO 17 1HG PRO 17 10.118 7.036 -7.110 120 1HD PRO 17 2HD PRO 17 8.162 5.061 -7.559 121 2HD PRO 17 1HD PRO 17 9.666 4.753 -6.679 122 H MET 18 H MET 18 5.487 6.290 -3.873 123 HA MET 18 HA MET 18 4.050 7.895 -5.951 124 1HB MET 18 2HB MET 18 3.694 5.325 -5.109 125 2HB MET 18 1HB MET 18 2.444 6.177 -4.252 126 1HG MET 18 2HG MET 18 1.330 5.750 -6.123 127 2HG MET 18 1HG MET 18 1.961 7.305 -6.560 128 1HE MET 18 1HE MET 18 2.797 3.917 -6.080 129 2HE MET 18 3HE MET 18 2.509 3.193 -7.619 130 3HE MET 18 2HE MET 18 4.169 3.621 -7.083 131 H LYS 19 H LYS 19 2.415 9.189 -5.459 132 HA LYS 19 HA LYS 19 2.069 9.872 -2.526 133 1HB LYS 19 2HB LYS 19 3.368 11.610 -4.135 134 2HB LYS 19 1HB LYS 19 1.768 11.937 -4.759 135 1HG LYS 19 2HG LYS 19 2.747 12.283 -1.885 136 2HG LYS 19 1HG LYS 19 2.304 13.566 -2.967 137 1HD LYS 19 2HD LYS 19 -0.102 12.554 -2.973 138 2HD LYS 19 1HD LYS 19 0.462 11.533 -1.668 139 1HE LYS 19 2HE LYS 19 -0.713 13.431 -0.727 140 2HE LYS 19 1HE LYS 19 0.980 13.452 -0.253 141 1HZ LYS 19 3HZ LYS 19 0.732 14.788 -2.696 142 2HZ LYS 19 2HZ LYS 19 -0.460 15.413 -1.670 143 3HZ LYS 19 1HZ LYS 19 1.181 15.430 -1.193 144 H CYS 20 H CYS 20 -0.474 10.060 -2.117 145 HA CYS 20 HA CYS 20 -1.780 8.871 -4.422 146 1HB CYS 20 2HB CYS 20 -2.159 8.751 -1.731 147 2HB CYS 20 1HB CYS 20 -3.464 9.843 -2.156 148 H ILE 21 H ILE 21 -2.764 10.073 -5.906 149 HA ILE 21 HA ILE 21 -2.842 13.007 -5.676 150 HB ILE 21 HB ILE 21 -3.457 11.403 -8.165 151 1HG1 ILE 21 2HG1 ILE 21 -1.414 10.387 -7.564 152 2HG1 ILE 21 1HG1 ILE 21 -1.105 11.681 -8.733 153 1HG2 ILE 21 1HG2 ILE 21 -2.197 14.141 -7.788 154 2HG2 ILE 21 3HG2 ILE 21 -2.426 13.320 -9.318 155 3HG2 ILE 21 2HG2 ILE 21 -3.820 13.804 -8.397 156 1HD1 ILE 21 1HD1 ILE 21 -0.433 13.140 -7.110 157 2HD1 ILE 21 3HD1 ILE 21 -0.643 12.039 -5.769 158 3HD1 ILE 21 2HD1 ILE 21 0.601 11.723 -6.970 159 H TYR 22 H TYR 22 -4.526 14.037 -6.683 160 HA TYR 22 HA TYR 22 -7.229 12.861 -6.229 161 1HB TYR 22 2HB TYR 22 -6.159 15.647 -5.645 162 2HB TYR 22 1HB TYR 22 -7.781 15.069 -5.202 163 HD1 TYR 22 HD1 TYR 22 -7.878 12.959 -3.652 164 HD2 TYR 22 HD2 TYR 22 -4.293 15.133 -4.351 165 HE1 TYR 22 HE1 TYR 22 -6.813 11.791 -1.784 166 HE2 TYR 22 HE2 TYR 22 -3.242 13.997 -2.510 167 HH TYR 22 HH TYR 22 -3.511 11.790 -1.420 168 H ALA 23 H ALA 23 -5.532 15.406 -7.908 169 HA ALA 23 HA ALA 23 -5.571 15.722 -10.324 170 1HB ALA 23 3HB ALA 23 -7.618 14.168 -10.698 171 2HB ALA 23 2HB ALA 23 -8.635 15.412 -9.996 172 3HB ALA 23 1HB ALA 23 -7.813 15.692 -11.523 173 H TRP 24 H TRP 24 -7.715 17.511 -11.064 174 HA TRP 24 HA TRP 24 -7.133 19.821 -9.246 175 1HB TRP 24 2HB TRP 24 -7.898 21.209 -11.181 176 2HB TRP 24 1HB TRP 24 -6.808 20.007 -11.860 177 HD1 TRP 24 HD1 TRP 24 -8.007 18.156 -13.566 178 HE1 TRP 24 HE1 TRP 24 -10.361 17.834 -14.371 179 HE3 TRP 24 HE3 TRP 24 -10.229 21.491 -10.549 180 HZ2 TRP 24 HZ2 TRP 24 -12.886 18.870 -13.769 181 HZ3 TRP 24 HZ3 TRP 24 -12.627 21.814 -10.659 182 HH2 TRP 24 HH2 TRP 24 -13.996 20.503 -12.291 183 H TYR 25 H TYR 25 -9.448 17.688 -10.496 184 HA TYR 25 HA TYR 25 -11.864 18.881 -9.506 185 1HB TYR 25 2HB TYR 25 -11.915 17.394 -11.447 186 2HB TYR 25 1HB TYR 25 -11.163 16.095 -10.542 187 HD1 TYR 25 HD1 TYR 25 -14.197 18.329 -10.394 188 HD2 TYR 25 HD2 TYR 25 -12.521 14.495 -9.578 189 HE1 TYR 25 HE1 TYR 25 -16.384 17.515 -9.628 190 HE2 TYR 25 HE2 TYR 25 -14.702 13.710 -8.822 191 HH TYR 25 HH TYR 25 -16.806 14.946 -7.793 192 H ASN 26 H ASN 26 -13.256 17.386 -7.980 193 HA ASN 26 HA ASN 26 -11.595 16.691 -5.591 194 1HB ASN 26 2HB ASN 26 -13.293 18.553 -5.316 195 2HB ASN 26 1HB ASN 26 -14.560 17.399 -5.699 196 1HD2 ASN 26 2HD2 ASN 26 -13.089 15.799 -2.414 197 2HD2 ASN 26 1HD2 ASN 26 -12.491 15.423 -3.943 198 H GLN 27 H GLN 27 -11.133 14.619 -6.121 199 HA GLN 27 HA GLN 27 -13.411 12.682 -6.214 200 1HB GLN 27 2HB GLN 27 -11.417 13.087 -8.217 201 2HB GLN 27 1HB GLN 27 -10.767 11.758 -7.312 202 1HG GLN 27 2HG GLN 27 -13.532 11.832 -8.635 203 2HG GLN 27 1HG GLN 27 -12.151 10.887 -9.149 204 1HE2 GLN 27 2HE2 GLN 27 -14.579 9.273 -6.450 205 2HE2 GLN 27 1HE2 GLN 27 -15.011 10.640 -7.364 206 H GLN 28 H GLN 28 -11.373 10.529 -5.868 207 HA GLN 28 HA GLN 28 -10.790 11.020 -2.991 208 1HB GLN 28 2HB GLN 28 -12.288 9.015 -3.979 209 2HB GLN 28 1HB GLN 28 -10.731 8.318 -4.377 210 1HG GLN 28 2HG GLN 28 -10.213 7.869 -2.126 211 2HG GLN 28 1HG GLN 28 -11.008 9.325 -1.540 212 1HE2 GLN 28 2HE2 GLN 28 -13.010 6.008 -1.076 213 2HE2 GLN 28 1HE2 GLN 28 -11.314 6.122 -1.110 214 H GLY 29 H GLY 29 -8.751 8.626 -3.276 215 1HA GLY 29 2HA GLY 29 -6.639 10.467 -4.294 216 2HA GLY 29 1HA GLY 29 -6.349 9.117 -3.242 217 H SER 30 H SER 30 -4.546 8.919 -4.888 218 HA SER 30 HA SER 30 -5.062 6.603 -6.484 219 1HB SER 30 2HB SER 30 -4.555 7.699 -8.758 220 2HB SER 30 1HB SER 30 -6.126 8.162 -8.079 221 HG SER 30 HG SER 30 -4.896 9.859 -6.959 222 H CYS 31 H CYS 31 -3.226 5.480 -6.857 223 HA CYS 31 HA CYS 31 -0.789 6.550 -5.774 224 1HB CYS 31 2HB CYS 31 -1.601 4.027 -7.182 225 2HB CYS 31 1HB CYS 31 0.092 4.369 -7.077 226 H GLN 32 H GLN 32 -0.012 8.454 -7.014 227 HA GLN 32 HA GLN 32 0.833 7.642 -9.786 228 1HB GLN 32 2HB GLN 32 0.212 10.462 -9.079 229 2HB GLN 32 1HB GLN 32 0.493 9.806 -10.647 230 1HG GLN 32 2HG GLN 32 -1.941 8.652 -9.348 231 2HG GLN 32 1HG GLN 32 -2.089 10.287 -9.923 232 1HE2 GLN 32 2HE2 GLN 32 -2.424 9.318 -13.266 233 2HE2 GLN 32 1HE2 GLN 32 -2.629 10.528 -12.076 234 H THR 33 H THR 33 2.822 8.148 -10.343 235 HA THR 33 HA THR 33 4.429 8.757 -8.088 236 HB THR 33 HB THR 33 6.078 8.750 -10.547 237 HG1 THR 33 HG1 THR 33 4.796 6.520 -10.936 238 1HG2 THR 33 2HG2 THR 33 5.248 6.601 -8.628 239 2HG2 THR 33 1HG2 THR 33 6.676 6.602 -9.715 240 3HG2 THR 33 3HG2 THR 33 6.525 7.812 -8.453 241 H THR 34 H THR 34 3.196 11.001 -8.120 242 HA THR 34 HA THR 34 5.257 12.711 -9.108 243 HB THR 34 HB THR 34 3.709 12.538 -11.147 244 HG1 THR 34 HG1 THR 34 4.017 14.628 -11.403 245 1HG2 THR 34 2HG2 THR 34 1.629 13.668 -9.190 246 2HG2 THR 34 1HG2 THR 34 1.350 13.301 -10.890 247 3HG2 THR 34 3HG2 THR 34 1.679 12.006 -9.750 248 H ILE 35 H ILE 35 4.698 14.970 -8.838 249 HA ILE 35 HA ILE 35 4.305 16.819 -7.480 250 HB ILE 35 HB ILE 35 2.003 15.343 -6.946 251 1HG1 ILE 35 2HG1 ILE 35 1.369 17.234 -5.311 252 2HG1 ILE 35 1HG1 ILE 35 3.026 17.799 -5.424 253 1HG2 ILE 35 1HG2 ILE 35 3.021 14.010 -5.040 254 2HG2 ILE 35 3HG2 ILE 35 3.380 15.505 -4.228 255 3HG2 ILE 35 2HG2 ILE 35 1.713 15.040 -4.556 256 1HD1 ILE 35 1HD1 ILE 35 1.098 17.506 -7.779 257 2HD1 ILE 35 3HD1 ILE 35 1.550 19.010 -7.001 258 3HD1 ILE 35 2HD1 ILE 35 2.741 18.106 -7.904 259 H THR 36 H THR 36 4.649 13.766 -5.840 260 HA THR 36 HA THR 36 7.308 14.466 -4.803 261 HB THR 36 HB THR 36 5.055 13.535 -2.890 262 HG1 THR 36 HG1 THR 36 5.808 16.048 -3.890 263 1HG2 THR 36 2HG2 THR 36 7.715 15.006 -2.387 264 2HG2 THR 36 1HG2 THR 36 6.600 14.406 -1.169 265 3HG2 THR 36 3HG2 THR 36 7.513 13.280 -2.160 266 H GLY 37 H GLY 37 6.409 12.816 -6.878 267 1HA GLY 37 2HA GLY 37 6.650 10.080 -5.682 268 2HA GLY 37 1HA GLY 37 5.870 10.411 -7.218 269 H LEU 38 H LEU 38 8.777 11.793 -6.117 270 HA LEU 38 HA LEU 38 10.483 9.973 -7.682 271 1HB LEU 38 2HB LEU 38 9.711 11.426 -9.432 272 2HB LEU 38 1HB LEU 38 9.936 12.864 -8.475 273 HG LEU 38 HG LEU 38 12.458 12.458 -8.579 274 1HD1 LEU 38 1HD1 LEU 38 11.670 10.169 -10.454 275 2HD1 LEU 38 3HD1 LEU 38 13.307 10.726 -10.158 276 3HD1 LEU 38 2HD1 LEU 38 12.402 9.966 -8.872 277 1HD2 LEU 38 3HD2 LEU 38 11.341 13.898 -10.281 278 2HD2 LEU 38 2HD2 LEU 38 12.699 13.027 -10.970 279 3HD2 LEU 38 1HD2 LEU 38 11.061 12.487 -11.287 280 H PHE 39 H PHE 39 10.563 13.235 -6.427 281 HA PHE 39 HA PHE 39 13.143 12.726 -5.047 282 1HB PHE 39 2HB PHE 39 12.731 15.310 -4.483 283 2HB PHE 39 1HB PHE 39 13.188 14.871 -6.120 284 HD1 PHE 39 HD1 PHE 39 11.510 14.818 -7.920 285 HD2 PHE 39 HD2 PHE 39 10.425 16.033 -3.984 286 HE1 PHE 39 HE1 PHE 39 9.393 15.715 -8.782 287 HE2 PHE 39 HE2 PHE 39 8.316 16.937 -4.853 288 HZ PHE 39 HZ PHE 39 7.795 16.780 -7.241 289 H LYS 40 H LYS 40 11.447 11.160 -4.107 290 HA LYS 40 HA LYS 40 10.569 12.193 -1.453 291 1HB LYS 40 2HB LYS 40 8.574 11.634 -2.845 292 2HB LYS 40 1HB LYS 40 9.286 10.119 -3.305 293 1HG LYS 40 2HG LYS 40 7.545 9.694 -1.668 294 2HG LYS 40 1HG LYS 40 9.092 9.273 -0.979 295 1HD LYS 40 2HD LYS 40 9.079 11.438 0.338 296 2HD LYS 40 1HD LYS 40 7.641 11.937 -0.511 297 1HE LYS 40 2HE LYS 40 7.042 11.071 1.719 298 2HE LYS 40 1HE LYS 40 6.353 10.060 0.461 299 1HZ LYS 40 2HZ LYS 40 8.923 9.062 1.033 300 2HZ LYS 40 1HZ LYS 40 8.167 9.292 2.499 301 3HZ LYS 40 3HZ LYS 40 7.456 8.313 1.325 302 H LYS 41 H LYS 41 11.042 10.714 0.239 303 HA LYS 41 HA LYS 41 12.964 8.568 -0.553 304 1HB LYS 41 2HB LYS 41 14.093 10.255 0.863 305 2HB LYS 41 1HB LYS 41 12.755 10.289 1.985 306 1HG LYS 41 2HG LYS 41 14.664 9.024 2.920 307 2HG LYS 41 1HG LYS 41 13.253 8.009 2.760 308 1HD LYS 41 2HD LYS 41 14.279 7.150 0.519 309 2HD LYS 41 1HD LYS 41 15.677 8.122 0.886 310 1HE LYS 41 2HE LYS 41 15.952 5.710 1.504 311 2HE LYS 41 1HE LYS 41 16.175 6.795 2.870 312 1HZ LYS 41 3HZ LYS 41 13.426 6.080 2.760 313 2HZ LYS 41 2HZ LYS 41 14.210 4.717 2.529 314 3HZ LYS 41 1HZ LYS 41 14.520 5.615 3.934 315 H CYS 42 H CYS 42 12.454 6.521 0.088 316 HA CYS 42 HA CYS 42 10.038 6.089 1.789 317 1HB CYS 42 2HB CYS 42 9.881 5.462 -0.787 318 2HB CYS 42 1HB CYS 42 11.086 4.247 -0.470 No H/Q in entry = 318 Start of MODEL 8 1 1H CYS 1 2H CYS 1 0.261 -0.472 0.905 2 2H CYS 1 1H CYS 1 1.754 -0.913 1.544 3 3H CYS 1 3H CYS 1 1.196 0.679 1.630 4 HA CYS 1 HA CYS 1 2.205 1.141 -0.364 5 1HB CYS 1 2HB CYS 1 4.033 -0.149 -0.506 6 2HB CYS 1 1HB CYS 1 3.312 -1.433 0.399 7 H ALA 2 H ALA 2 1.010 1.531 -2.290 8 HA ALA 2 HA ALA 2 -0.675 -0.651 -3.435 9 1HB ALA 2 1HB ALA 2 -2.163 1.064 -2.275 10 2HB ALA 2 3HB ALA 2 -1.472 2.318 -3.281 11 3HB ALA 2 2HB ALA 2 -2.427 1.038 -4.006 12 H LYS 3 H LYS 3 -1.298 0.163 -5.770 13 HA LYS 3 HA LYS 3 1.130 1.396 -7.000 14 1HB LYS 3 2HB LYS 3 0.867 -0.220 -8.859 15 2HB LYS 3 1HB LYS 3 1.129 -1.014 -7.322 16 1HG LYS 3 2HG LYS 3 -1.692 -0.870 -7.453 17 2HG LYS 3 1HG LYS 3 -1.268 -1.087 -9.131 18 1HD LYS 3 2HD LYS 3 -0.352 -2.879 -6.842 19 2HD LYS 3 1HD LYS 3 -1.668 -3.249 -7.943 20 1HE LYS 3 2HE LYS 3 -0.106 -3.299 -9.871 21 2HE LYS 3 1HE LYS 3 1.229 -2.838 -8.839 22 1HZ LYS 3 1HZ LYS 3 0.010 -5.132 -7.712 23 2HZ LYS 3 3HZ LYS 3 0.295 -5.445 -9.351 24 3HZ LYS 3 2HZ LYS 3 1.549 -4.958 -8.343 25 H LYS 4 H LYS 4 0.886 2.646 -8.789 26 HA LYS 4 HA LYS 4 -1.333 4.283 -8.855 27 1HB LYS 4 2HB LYS 4 0.933 4.887 -9.786 28 2HB LYS 4 1HB LYS 4 0.688 3.864 -11.164 29 1HG LYS 4 2HG LYS 4 -1.245 6.157 -10.491 30 2HG LYS 4 1HG LYS 4 0.247 6.472 -11.309 31 1HD LYS 4 2HD LYS 4 -2.029 4.743 -12.407 32 2HD LYS 4 1HD LYS 4 -1.733 6.409 -12.788 33 1HE LYS 4 2HE LYS 4 -0.672 5.298 -14.592 34 2HE LYS 4 1HE LYS 4 0.649 5.723 -13.518 35 1HZ LYS 4 1HZ LYS 4 -0.421 3.233 -12.721 36 2HZ LYS 4 3HZ LYS 4 -0.124 3.153 -14.360 37 3HZ LYS 4 2HZ LYS 4 1.143 3.567 -13.303 38 H ARG 5 H ARG 5 -3.282 3.632 -9.398 39 HA ARG 5 HA ARG 5 -4.675 3.365 -11.612 40 1HB ARG 5 2HB ARG 5 -3.220 1.469 -12.556 41 2HB ARG 5 1HB ARG 5 -3.591 0.495 -11.141 42 1HG ARG 5 2HG ARG 5 -6.045 0.674 -11.749 43 2HG ARG 5 1HG ARG 5 -5.604 1.622 -13.147 44 1HD ARG 5 2HD ARG 5 -4.360 -0.319 -14.074 45 2HD ARG 5 1HD ARG 5 -4.792 -1.280 -12.654 46 HE ARG 5 HE ARG 5 -6.833 -0.052 -14.490 47 1HH1 ARG 5 2HH1 ARG 5 -7.396 -1.273 -11.736 48 2HH1 ARG 5 1HH1 ARG 5 -8.106 -2.780 -12.166 49 1HH2 ARG 5 1HH2 ARG 5 -6.802 -2.486 -15.486 50 2HH2 ARG 5 2HH2 ARG 5 -7.712 -3.544 -14.482 51 H ASN 6 H ASN 6 -3.844 1.261 -8.960 52 HA ASN 6 HA ASN 6 -6.706 1.241 -8.035 53 1HB ASN 6 2HB ASN 6 -4.378 -0.688 -7.882 54 2HB ASN 6 1HB ASN 6 -5.339 -0.552 -6.421 55 1HD2 ASN 6 2HD2 ASN 6 -8.052 -2.327 -7.765 56 2HD2 ASN 6 1HD2 ASN 6 -7.366 -1.543 -6.417 57 H TRP 7 H TRP 7 -6.424 3.341 -7.562 58 HA TRP 7 HA TRP 7 -4.362 4.591 -6.259 59 1HB TRP 7 2HB TRP 7 -5.952 6.279 -5.497 60 2HB TRP 7 1HB TRP 7 -6.422 5.777 -7.110 61 HD1 TRP 7 HD1 TRP 7 -7.390 4.493 -3.609 62 HE1 TRP 7 HE1 TRP 7 -9.895 4.440 -3.427 63 HE3 TRP 7 HE3 TRP 7 -8.453 6.251 -8.197 64 HZ2 TRP 7 HZ2 TRP 7 -12.029 5.040 -5.005 65 HZ3 TRP 7 HZ3 TRP 7 -10.823 6.509 -8.850 66 HH2 TRP 7 HH2 TRP 7 -12.621 5.896 -7.256 67 H CYS 8 H CYS 8 -4.414 5.608 -4.264 68 HA CYS 8 HA CYS 8 -4.555 3.667 -2.013 69 1HB CYS 8 2HB CYS 8 -3.077 5.820 -1.188 70 2HB CYS 8 1HB CYS 8 -2.398 4.463 -2.056 71 H GLY 9 H GLY 9 -5.796 6.562 -3.376 72 1HA GLY 9 2HA GLY 9 -7.937 7.497 -2.772 73 2HA GLY 9 1HA GLY 9 -7.767 6.803 -1.162 74 H LYS 10 H LYS 10 -5.273 7.447 -0.625 75 HA LYS 10 HA LYS 10 -4.673 10.262 -0.845 76 1HB LYS 10 2HB LYS 10 -4.826 10.610 1.667 77 2HB LYS 10 1HB LYS 10 -6.387 10.128 1.049 78 1HG LYS 10 2HG LYS 10 -4.327 8.036 2.013 79 2HG LYS 10 1HG LYS 10 -5.274 8.873 3.157 80 1HD LYS 10 2HD LYS 10 -6.438 7.206 0.841 81 2HD LYS 10 1HD LYS 10 -6.092 6.534 2.373 82 1HE LYS 10 2HE LYS 10 -7.849 9.001 2.172 83 2HE LYS 10 1HE LYS 10 -8.520 7.390 1.981 84 1HZ LYS 10 1HZ LYS 10 -6.858 7.230 4.174 85 2HZ LYS 10 3HZ LYS 10 -7.597 8.669 4.406 86 3HZ LYS 10 2HZ LYS 10 -8.516 7.238 4.242 87 H ASN 11 H ASN 11 -3.021 10.716 0.950 88 HA ASN 11 HA ASN 11 -0.763 9.200 0.041 89 1HB ASN 11 2HB ASN 11 -0.864 11.721 0.684 90 2HB ASN 11 1HB ASN 11 -0.794 11.186 2.353 91 1HD2 ASN 11 2HD2 ASN 11 2.644 10.104 2.057 92 2HD2 ASN 11 1HD2 ASN 11 1.213 9.692 2.868 93 H GLU 12 H GLU 12 -2.404 7.331 1.314 94 HA GLU 12 HA GLU 12 -1.026 6.907 3.953 95 1HB GLU 12 2HB GLU 12 -3.691 5.949 2.855 96 2HB GLU 12 1HB GLU 12 -2.964 5.249 4.284 97 1HG GLU 12 2HG GLU 12 -2.951 7.325 5.468 98 2HG GLU 12 1HG GLU 12 -3.369 8.285 4.066 99 H ASP 13 H ASP 13 -2.241 4.829 1.299 100 HA ASP 13 HA ASP 13 0.118 3.095 1.882 101 1HB ASP 13 2HB ASP 13 -2.744 2.404 1.478 102 2HB ASP 13 1HB ASP 13 -1.636 1.374 0.596 103 H CYS 14 H CYS 14 1.460 4.203 0.393 104 HA CYS 14 HA CYS 14 0.946 3.459 -2.480 105 1HB CYS 14 2HB CYS 14 1.968 5.930 -1.179 106 2HB CYS 14 1HB CYS 14 2.916 5.394 -2.534 107 H CYS 15 H CYS 15 2.582 2.468 -3.609 108 HA CYS 15 HA CYS 15 4.727 1.320 -1.875 109 1HB CYS 15 2HB CYS 15 3.028 0.206 -3.782 110 2HB CYS 15 1HB CYS 15 4.439 0.542 -4.732 111 H CYS 16 H CYS 16 5.245 3.443 -1.737 112 HA CYS 16 HA CYS 16 6.106 5.323 -3.529 113 1HB CYS 16 2HB CYS 16 7.951 5.820 -1.725 114 2HB CYS 16 1HB CYS 16 6.259 6.019 -1.379 115 HA PRO 17 HA PRO 17 7.629 6.860 -3.499 116 1HB PRO 17 2HB PRO 17 8.979 8.342 -5.137 117 2HB PRO 17 1HB PRO 17 9.873 7.227 -4.076 118 1HG PRO 17 2HG PRO 17 9.072 6.776 -7.019 119 2HG PRO 17 1HG PRO 17 10.658 6.523 -6.290 120 1HD PRO 17 2HD PRO 17 8.630 4.506 -6.519 121 2HD PRO 17 1HD PRO 17 10.021 4.384 -5.434 122 H MET 18 H MET 18 5.664 7.381 -3.722 123 HA MET 18 HA MET 18 4.497 8.320 -6.206 124 1HB MET 18 2HB MET 18 4.473 5.653 -5.879 125 2HB MET 18 1HB MET 18 3.110 6.044 -4.864 126 1HG MET 18 2HG MET 18 2.071 7.224 -6.672 127 2HG MET 18 1HG MET 18 3.445 6.925 -7.721 128 1HE MET 18 2HE MET 18 4.211 4.198 -7.276 129 2HE MET 18 1HE MET 18 3.119 3.822 -5.911 130 3HE MET 18 3HE MET 18 3.016 2.913 -7.428 131 H LYS 19 H LYS 19 2.420 9.162 -5.703 132 HA LYS 19 HA LYS 19 1.897 9.577 -2.762 133 1HB LYS 19 2HB LYS 19 3.210 11.503 -4.149 134 2HB LYS 19 1HB LYS 19 1.594 11.894 -4.689 135 1HG LYS 19 2HG LYS 19 2.046 11.502 -1.757 136 2HG LYS 19 1HG LYS 19 2.721 12.918 -2.449 137 1HD LYS 19 2HD LYS 19 0.247 13.454 -3.301 138 2HD LYS 19 1HD LYS 19 -0.235 12.143 -2.270 139 1HE LYS 19 2HE LYS 19 -0.361 14.376 -1.103 140 2HE LYS 19 1HE LYS 19 0.626 13.222 -0.248 141 1HZ LYS 19 3HZ LYS 19 2.174 14.638 -2.152 142 2HZ LYS 19 2HZ LYS 19 1.391 15.730 -1.118 143 3HZ LYS 19 1HZ LYS 19 2.402 14.527 -0.472 144 H CYS 20 H CYS 20 -0.637 10.237 -2.509 145 HA CYS 20 HA CYS 20 -1.895 8.884 -4.806 146 1HB CYS 20 2HB CYS 20 -2.308 8.890 -2.180 147 2HB CYS 20 1HB CYS 20 -3.506 10.085 -2.604 148 H ILE 21 H ILE 21 -2.976 9.931 -6.325 149 HA ILE 21 HA ILE 21 -2.934 12.885 -6.352 150 HB ILE 21 HB ILE 21 -3.067 10.758 -8.500 151 1HG1 ILE 21 2HG1 ILE 21 -0.911 11.131 -7.755 152 2HG1 ILE 21 1HG1 ILE 21 -1.032 11.827 -9.382 153 1HG2 ILE 21 2HG2 ILE 21 -3.244 13.721 -9.038 154 2HG2 ILE 21 1HG2 ILE 21 -3.018 12.449 -10.228 155 3HG2 ILE 21 3HG2 ILE 21 -4.509 12.509 -9.312 156 1HD1 ILE 21 2HD1 ILE 21 -1.526 14.008 -7.691 157 2HD1 ILE 21 1HD1 ILE 21 -0.315 12.996 -6.849 158 3HD1 ILE 21 3HD1 ILE 21 -0.018 13.605 -8.436 159 H TYR 22 H TYR 22 -4.595 13.894 -7.351 160 HA TYR 22 HA TYR 22 -7.303 12.717 -6.906 161 1HB TYR 22 2HB TYR 22 -6.145 15.504 -6.371 162 2HB TYR 22 1HB TYR 22 -7.828 15.062 -6.039 163 HD1 TYR 22 HD1 TYR 22 -8.180 13.024 -4.446 164 HD2 TYR 22 HD2 TYR 22 -4.438 14.990 -4.861 165 HE1 TYR 22 HE1 TYR 22 -7.400 11.963 -2.375 166 HE2 TYR 22 HE2 TYR 22 -3.668 13.940 -2.800 167 HH TYR 22 HH TYR 22 -5.566 12.721 -0.574 168 H ALA 23 H ALA 23 -5.875 15.516 -8.349 169 HA ALA 23 HA ALA 23 -5.531 15.866 -10.757 170 1HB ALA 23 2HB ALA 23 -8.455 14.903 -10.930 171 2HB ALA 23 1HB ALA 23 -7.514 15.525 -12.281 172 3HB ALA 23 3HB ALA 23 -7.072 14.010 -11.516 173 H TRP 24 H TRP 24 -8.885 16.653 -10.646 174 HA TRP 24 HA TRP 24 -8.235 19.416 -9.665 175 1HB TRP 24 2HB TRP 24 -9.059 20.221 -11.683 176 2HB TRP 24 1HB TRP 24 -9.287 18.597 -12.272 177 HD1 TRP 24 HD1 TRP 24 -11.837 17.879 -12.659 178 HE1 TRP 24 HE1 TRP 24 -14.076 18.841 -12.057 179 HE3 TRP 24 HE3 TRP 24 -10.257 21.721 -9.752 180 HZ2 TRP 24 HZ2 TRP 24 -15.050 20.866 -10.564 181 HZ3 TRP 24 HZ3 TRP 24 -11.958 23.199 -8.734 182 HH2 TRP 24 HH2 TRP 24 -14.363 22.777 -9.144 183 H TYR 25 H TYR 25 -10.849 17.128 -10.212 184 HA TYR 25 HA TYR 25 -12.594 18.136 -8.146 185 1HB TYR 25 2HB TYR 25 -13.924 16.067 -8.541 186 2HB TYR 25 1HB TYR 25 -13.335 16.569 -10.122 187 HD1 TYR 25 HD1 TYR 25 -11.065 15.448 -10.947 188 HD2 TYR 25 HD2 TYR 25 -13.347 13.957 -7.669 189 HE1 TYR 25 HE1 TYR 25 -9.870 13.325 -11.060 190 HE2 TYR 25 HE2 TYR 25 -12.133 11.829 -7.816 191 HH TYR 25 HH TYR 25 -9.277 11.510 -9.469 192 H ASN 26 H ASN 26 -12.957 16.675 -6.021 193 HA ASN 26 HA ASN 26 -10.482 15.137 -5.329 194 1HB ASN 26 2HB ASN 26 -10.226 17.480 -4.437 195 2HB ASN 26 1HB ASN 26 -11.626 17.205 -3.397 196 1HD2 ASN 26 2HD2 ASN 26 -9.794 15.004 -1.243 197 2HD2 ASN 26 1HD2 ASN 26 -11.355 15.573 -1.646 198 H GLN 27 H GLN 27 -12.111 13.529 -5.792 199 HA GLN 27 HA GLN 27 -13.869 12.935 -3.435 200 1HB GLN 27 2HB GLN 27 -13.978 12.139 -6.380 201 2HB GLN 27 1HB GLN 27 -14.757 11.138 -5.187 202 1HG GLN 27 2HG GLN 27 -16.269 12.891 -6.252 203 2HG GLN 27 1HG GLN 27 -16.243 12.917 -4.507 204 1HE2 GLN 27 2HE2 GLN 27 -15.431 16.325 -4.490 205 2HE2 GLN 27 1HE2 GLN 27 -16.132 15.006 -3.685 206 H GLN 28 H GLN 28 -11.575 11.401 -5.686 207 HA GLN 28 HA GLN 28 -10.711 9.678 -3.429 208 1HB GLN 28 2HB GLN 28 -11.425 8.858 -6.303 209 2HB GLN 28 1HB GLN 28 -10.460 7.825 -5.268 210 1HG GLN 28 2HG GLN 28 -13.241 8.864 -4.487 211 2HG GLN 28 1HG GLN 28 -12.932 7.252 -5.104 212 1HE2 GLN 28 2HE2 GLN 28 -12.219 7.999 -1.233 213 2HE2 GLN 28 1HE2 GLN 28 -12.970 9.148 -2.243 214 H GLY 29 H GLY 29 -8.753 8.415 -4.104 215 1HA GLY 29 2HA GLY 29 -6.804 10.483 -4.946 216 2HA GLY 29 1HA GLY 29 -6.407 9.176 -3.878 217 H SER 30 H SER 30 -4.564 9.010 -5.331 218 HA SER 30 HA SER 30 -4.759 6.747 -7.051 219 1HB SER 30 2HB SER 30 -5.849 8.051 -8.714 220 2HB SER 30 1HB SER 30 -4.798 9.435 -8.450 221 HG SER 30 HG SER 30 -3.059 8.169 -9.226 222 H CYS 31 H CYS 31 -2.950 6.042 -5.974 223 HA CYS 31 HA CYS 31 -0.586 7.318 -5.430 224 1HB CYS 31 2HB CYS 31 -1.381 4.760 -5.176 225 2HB CYS 31 1HB CYS 31 -0.506 4.591 -6.657 226 H GLN 32 H GLN 32 0.342 8.759 -7.003 227 HA GLN 32 HA GLN 32 0.976 7.679 -9.696 228 1HB GLN 32 2HB GLN 32 -0.906 9.528 -9.525 229 2HB GLN 32 1HB GLN 32 0.439 10.492 -8.906 230 1HG GLN 32 2HG GLN 32 0.078 11.092 -11.229 231 2HG GLN 32 1HG GLN 32 1.651 10.391 -10.966 232 1HE2 GLN 32 2HE2 GLN 32 -1.101 8.478 -13.279 233 2HE2 GLN 32 1HE2 GLN 32 -1.588 9.784 -12.315 234 H THR 33 H THR 33 2.987 8.347 -10.441 235 HA THR 33 HA THR 33 4.669 8.698 -8.147 236 HB THR 33 HB THR 33 6.217 8.853 -10.673 237 HG1 THR 33 HG1 THR 33 4.923 6.632 -11.113 238 1HG2 THR 33 2HG2 THR 33 5.442 6.610 -8.822 239 2HG2 THR 33 1HG2 THR 33 6.840 6.637 -9.930 240 3HG2 THR 33 3HG2 THR 33 6.740 7.787 -8.605 241 H THR 34 H THR 34 3.459 10.873 -7.916 242 HA THR 34 HA THR 34 5.522 12.692 -8.688 243 HB THR 34 HB THR 34 3.805 12.927 -10.572 244 HG1 THR 34 HG1 THR 34 3.913 15.024 -10.358 245 1HG2 THR 34 1HG2 THR 34 1.948 13.540 -8.259 246 2HG2 THR 34 3HG2 THR 34 1.492 13.526 -9.966 247 3HG2 THR 34 2HG2 THR 34 1.905 12.024 -9.143 248 H ILE 35 H ILE 35 4.995 14.875 -8.007 249 HA ILE 35 HA ILE 35 5.079 16.442 -6.357 250 HB ILE 35 HB ILE 35 2.564 15.502 -6.181 251 1HG1 ILE 35 2HG1 ILE 35 3.851 17.087 -3.886 252 2HG1 ILE 35 1HG1 ILE 35 3.429 17.757 -5.440 253 1HG2 ILE 35 3HG2 ILE 35 3.100 13.572 -4.688 254 2HG2 ILE 35 2HG2 ILE 35 3.654 14.678 -3.473 255 3HG2 ILE 35 1HG2 ILE 35 1.958 14.660 -4.002 256 1HD1 ILE 35 3HD1 ILE 35 1.047 17.228 -5.077 257 2HD1 ILE 35 2HD1 ILE 35 1.393 16.574 -3.490 258 3HD1 ILE 35 1HD1 ILE 35 1.670 18.270 -3.814 259 H THR 36 H THR 36 5.124 13.138 -5.155 260 HA THR 36 HA THR 36 7.716 13.568 -3.828 261 HB THR 36 HB THR 36 6.785 12.203 -1.800 262 HG1 THR 36 HG1 THR 36 4.917 11.414 -2.570 263 1HG2 THR 36 1HG2 THR 36 5.347 14.867 -2.330 264 2HG2 THR 36 3HG2 THR 36 5.606 14.121 -0.759 265 3HG2 THR 36 2HG2 THR 36 6.961 14.750 -1.680 266 H GLY 37 H GLY 37 6.618 12.331 -6.260 267 1HA GLY 37 2HA GLY 37 7.232 9.454 -5.687 268 2HA GLY 37 1HA GLY 37 6.196 10.012 -7.006 269 H LEU 38 H LEU 38 8.973 11.636 -6.040 270 HA LEU 38 HA LEU 38 10.634 10.543 -8.244 271 1HB LEU 38 2HB LEU 38 9.524 12.337 -9.355 272 2HB LEU 38 1HB LEU 38 9.621 13.396 -7.981 273 HG LEU 38 HG LEU 38 12.182 13.493 -8.370 274 1HD1 LEU 38 1HD1 LEU 38 11.480 11.919 -10.893 275 2HD1 LEU 38 3HD1 LEU 38 13.052 12.590 -10.508 276 3HD1 LEU 38 2HD1 LEU 38 12.401 11.289 -9.540 277 1HD2 LEU 38 1HD2 LEU 38 10.685 15.229 -9.321 278 2HD2 LEU 38 3HD2 LEU 38 12.058 14.922 -10.370 279 3HD2 LEU 38 2HD2 LEU 38 10.482 14.264 -10.770 280 H PHE 39 H PHE 39 10.885 13.440 -6.278 281 HA PHE 39 HA PHE 39 13.570 12.591 -5.361 282 1HB PHE 39 2HB PHE 39 13.456 15.028 -4.342 283 2HB PHE 39 1HB PHE 39 13.576 14.853 -6.082 284 HD1 PHE 39 HD1 PHE 39 10.889 15.023 -3.409 285 HD2 PHE 39 HD2 PHE 39 12.047 16.022 -7.393 286 HE1 PHE 39 HE1 PHE 39 8.795 16.228 -3.723 287 HE2 PHE 39 HE2 PHE 39 9.942 17.230 -7.696 288 HZ PHE 39 HZ PHE 39 8.303 17.333 -5.853 289 H LYS 40 H LYS 40 11.594 11.030 -4.394 290 HA LYS 40 HA LYS 40 11.759 11.529 -1.467 291 1HB LYS 40 2HB LYS 40 9.378 12.069 -2.375 292 2HB LYS 40 1HB LYS 40 9.356 10.440 -2.991 293 1HG LYS 40 2HG LYS 40 9.854 10.752 -0.026 294 2HG LYS 40 1HG LYS 40 8.230 11.020 -0.611 295 1HD LYS 40 2HD LYS 40 8.138 8.815 -1.670 296 2HD LYS 40 1HD LYS 40 9.782 8.449 -1.240 297 1HE LYS 40 2HE LYS 40 7.460 8.886 0.721 298 2HE LYS 40 1HE LYS 40 8.183 7.338 0.301 299 1HZ LYS 40 3HZ LYS 40 10.259 8.969 1.072 300 2HZ LYS 40 2HZ LYS 40 9.057 9.117 2.306 301 3HZ LYS 40 1HZ LYS 40 9.734 7.614 1.786 302 H LYS 41 H LYS 41 12.616 9.673 -0.548 303 HA LYS 41 HA LYS 41 12.848 7.300 -2.352 304 1HB LYS 41 2HB LYS 41 14.432 8.109 0.173 305 2HB LYS 41 1HB LYS 41 14.521 6.512 -0.516 306 1HG LYS 41 2HG LYS 41 16.387 7.510 -1.470 307 2HG LYS 41 1HG LYS 41 15.213 7.679 -2.752 308 1HD LYS 41 2HD LYS 41 14.757 10.030 -2.082 309 2HD LYS 41 1HD LYS 41 15.901 9.907 -0.768 310 1HE LYS 41 2HE LYS 41 16.543 9.702 -3.769 311 2HE LYS 41 1HE LYS 41 16.947 11.050 -2.725 312 1HZ LYS 41 3HZ LYS 41 18.005 8.702 -1.581 313 2HZ LYS 41 2HZ LYS 41 18.476 8.741 -3.207 314 3HZ LYS 41 1HZ LYS 41 18.855 10.029 -2.183 315 H CYS 42 H CYS 42 12.424 5.240 -1.335 316 HA CYS 42 HA CYS 42 10.300 5.353 0.745 317 1HB CYS 42 2HB CYS 42 9.790 4.641 -1.714 318 2HB CYS 42 1HB CYS 42 10.801 3.267 -1.392 No H/Q in entry = 318 Start of MODEL 9 1 1H CYS 1 2H CYS 1 0.000 0.253 -0.011 2 2H CYS 1 1H CYS 1 1.214 -0.419 0.926 3 3H CYS 1 3H CYS 1 1.330 1.197 0.426 4 HA CYS 1 HA CYS 1 2.378 0.633 -1.420 5 1HB CYS 1 2HB CYS 1 3.467 -1.005 -0.341 6 2HB CYS 1 1HB CYS 1 2.067 -2.084 -0.344 7 H ALA 2 H ALA 2 0.840 1.352 -2.993 8 HA ALA 2 HA ALA 2 -0.857 -0.796 -4.231 9 1HB ALA 2 3HB ALA 2 -1.293 2.230 -4.160 10 2HB ALA 2 2HB ALA 2 -2.368 1.097 -4.948 11 3HB ALA 2 1HB ALA 2 -2.192 1.084 -3.198 12 H LYS 3 H LYS 3 -0.895 -0.429 -6.780 13 HA LYS 3 HA LYS 3 1.723 0.852 -7.577 14 1HB LYS 3 2HB LYS 3 0.454 -1.681 -8.692 15 2HB LYS 3 1HB LYS 3 1.809 -0.868 -9.427 16 1HG LYS 3 2HG LYS 3 3.092 -1.206 -7.191 17 2HG LYS 3 1HG LYS 3 1.773 -2.257 -6.706 18 1HD LYS 3 2HD LYS 3 2.125 -3.704 -8.690 19 2HD LYS 3 1HD LYS 3 3.370 -2.623 -9.294 20 1HE LYS 3 2HE LYS 3 4.779 -3.145 -7.258 21 2HE LYS 3 1HE LYS 3 3.557 -4.280 -6.718 22 1HZ LYS 3 3HZ LYS 3 4.218 -4.908 -9.403 23 2HZ LYS 3 2HZ LYS 3 5.656 -4.730 -8.528 24 3HZ LYS 3 1HZ LYS 3 4.488 -5.835 -8.017 25 H LYS 4 H LYS 4 -0.310 2.455 -7.592 26 HA LYS 4 HA LYS 4 -1.443 4.072 -8.900 27 1HB LYS 4 2HB LYS 4 0.762 3.915 -10.177 28 2HB LYS 4 1HB LYS 4 -0.057 2.872 -11.333 29 1HG LYS 4 2HG LYS 4 -1.631 5.327 -10.654 30 2HG LYS 4 1HG LYS 4 -0.059 5.737 -11.229 31 1HD LYS 4 2HD LYS 4 -1.680 3.729 -12.845 32 2HD LYS 4 1HD LYS 4 -2.157 5.407 -12.922 33 1HE LYS 4 2HE LYS 4 0.616 4.316 -13.608 34 2HE LYS 4 1HE LYS 4 -0.598 4.861 -14.756 35 1HZ LYS 4 2HZ LYS 4 -0.196 6.913 -12.847 36 2HZ LYS 4 1HZ LYS 4 1.302 6.427 -13.413 37 3HZ LYS 4 3HZ LYS 4 0.126 6.976 -14.488 38 H ARG 5 H ARG 5 -3.015 3.887 -11.099 39 HA ARG 5 HA ARG 5 -4.725 2.814 -12.357 40 1HB ARG 5 2HB ARG 5 -3.266 0.655 -12.355 41 2HB ARG 5 1HB ARG 5 -4.049 0.173 -10.876 42 1HG ARG 5 2HG ARG 5 -5.462 -0.922 -12.298 43 2HG ARG 5 1HG ARG 5 -6.303 0.606 -12.223 44 1HD ARG 5 2HD ARG 5 -6.115 -0.016 -14.558 45 2HD ARG 5 1HD ARG 5 -5.023 1.346 -14.306 46 HE ARG 5 HE ARG 5 -4.179 -1.545 -14.427 47 1HH1 ARG 5 2HH1 ARG 5 -1.989 -0.687 -13.281 48 2HH1 ARG 5 1HH1 ARG 5 -0.991 0.141 -14.403 49 1HH2 ARG 5 1HH2 ARG 5 -3.836 0.616 -16.539 50 2HH2 ARG 5 2HH2 ARG 5 -2.157 0.983 -16.439 51 H ASN 6 H ASN 6 -4.310 1.311 -9.290 52 HA ASN 6 HA ASN 6 -7.033 2.087 -8.222 53 1HB ASN 6 2HB ASN 6 -5.983 -0.491 -8.170 54 2HB ASN 6 1HB ASN 6 -4.992 0.223 -6.910 55 1HD2 ASN 6 2HD2 ASN 6 -7.666 -0.298 -4.641 56 2HD2 ASN 6 1HD2 ASN 6 -6.009 -0.498 -4.935 57 H TRP 7 H TRP 7 -6.810 2.919 -6.020 58 HA TRP 7 HA TRP 7 -4.197 4.351 -5.856 59 1HB TRP 7 2HB TRP 7 -5.458 6.258 -5.096 60 2HB TRP 7 1HB TRP 7 -5.968 5.752 -6.702 61 HD1 TRP 7 HD1 TRP 7 -7.166 4.669 -3.200 62 HE1 TRP 7 HE1 TRP 7 -9.601 5.105 -2.973 63 HE3 TRP 7 HE3 TRP 7 -7.948 6.547 -7.788 64 HZ2 TRP 7 HZ2 TRP 7 -11.644 6.042 -4.547 65 HZ3 TRP 7 HZ3 TRP 7 -10.262 7.205 -8.432 66 HH2 TRP 7 HH2 TRP 7 -12.107 6.960 -6.798 67 H CYS 8 H CYS 8 -4.299 5.749 -3.925 68 HA CYS 8 HA CYS 8 -4.186 4.005 -1.520 69 1HB CYS 8 2HB CYS 8 -2.541 5.992 -0.919 70 2HB CYS 8 1HB CYS 8 -2.053 4.734 -2.009 71 H GLY 9 H GLY 9 -5.572 6.853 -2.871 72 1HA GLY 9 2HA GLY 9 -7.575 7.918 -2.020 73 2HA GLY 9 1HA GLY 9 -7.234 7.241 -0.419 74 H LYS 10 H LYS 10 -5.016 7.754 0.288 75 HA LYS 10 HA LYS 10 -4.056 10.532 -0.075 76 1HB LYS 10 2HB LYS 10 -5.438 10.525 2.063 77 2HB LYS 10 1HB LYS 10 -4.732 8.979 2.502 78 1HG LYS 10 2HG LYS 10 -2.455 10.106 2.618 79 2HG LYS 10 1HG LYS 10 -3.184 11.637 2.304 80 1HD LYS 10 2HD LYS 10 -3.387 9.878 4.828 81 2HD LYS 10 1HD LYS 10 -2.553 11.380 4.655 82 1HE LYS 10 2HE LYS 10 -4.530 11.796 5.930 83 2HE LYS 10 1HE LYS 10 -4.826 12.492 4.335 84 1HZ LYS 10 2HZ LYS 10 -5.578 9.813 4.265 85 2HZ LYS 10 1HZ LYS 10 -6.229 10.372 5.647 86 3HZ LYS 10 3HZ LYS 10 -6.615 11.142 4.153 87 H ASN 11 H ASN 11 -1.733 10.379 0.376 88 HA ASN 11 HA ASN 11 -0.383 8.338 -0.800 89 1HB ASN 11 2HB ASN 11 1.570 8.802 0.867 90 2HB ASN 11 1HB ASN 11 0.954 10.180 -0.026 91 1HD2 ASN 11 2HD2 ASN 11 0.451 11.827 3.039 92 2HD2 ASN 11 1HD2 ASN 11 1.079 11.907 1.459 93 H GLU 12 H GLU 12 -1.747 8.207 2.307 94 HA GLU 12 HA GLU 12 -1.062 6.537 4.041 95 1HB GLU 12 2HB GLU 12 -3.563 6.145 2.393 96 2HB GLU 12 1HB GLU 12 -3.298 5.230 3.865 97 1HG GLU 12 2HG GLU 12 -3.124 7.225 5.188 98 2HG GLU 12 1HG GLU 12 -3.099 8.233 3.758 99 H ASP 13 H ASP 13 -2.371 4.618 1.364 100 HA ASP 13 HA ASP 13 -0.386 2.501 2.158 101 1HB ASP 13 2HB ASP 13 -3.076 2.267 2.309 102 2HB ASP 13 1HB ASP 13 -2.865 1.718 0.658 103 H CYS 14 H CYS 14 0.450 4.468 0.213 104 HA CYS 14 HA CYS 14 0.205 2.996 -2.394 105 1HB CYS 14 2HB CYS 14 0.137 5.568 -2.149 106 2HB CYS 14 1HB CYS 14 1.885 5.459 -1.974 107 H CYS 15 H CYS 15 2.235 2.583 -3.584 108 HA CYS 15 HA CYS 15 4.354 1.503 -1.784 109 1HB CYS 15 2HB CYS 15 2.818 0.227 -3.661 110 2HB CYS 15 1HB CYS 15 4.132 0.715 -4.647 111 H CYS 16 H CYS 16 5.247 3.487 -1.594 112 HA CYS 16 HA CYS 16 6.086 5.441 -3.293 113 1HB CYS 16 2HB CYS 16 8.169 5.411 -1.772 114 2HB CYS 16 1HB CYS 16 6.582 5.841 -1.177 115 HA PRO 17 HA PRO 17 7.609 6.820 -3.518 116 1HB PRO 17 2HB PRO 17 9.030 8.285 -5.112 117 2HB PRO 17 1HB PRO 17 9.883 7.064 -4.127 118 1HG PRO 17 2HG PRO 17 9.010 6.838 -7.073 119 2HG PRO 17 1HG PRO 17 10.569 6.409 -6.368 120 1HD PRO 17 2HD PRO 17 8.392 4.574 -6.690 121 2HD PRO 17 1HD PRO 17 9.790 4.298 -5.639 122 H MET 18 H MET 18 5.596 7.142 -3.720 123 HA MET 18 HA MET 18 4.411 8.377 -6.113 124 1HB MET 18 2HB MET 18 4.421 5.951 -6.396 125 2HB MET 18 1HB MET 18 3.555 5.778 -4.883 126 1HG MET 18 2HG MET 18 1.581 6.509 -5.778 127 2HG MET 18 1HG MET 18 2.358 7.476 -6.980 128 1HE MET 18 2HE MET 18 2.782 4.021 -5.751 129 2HE MET 18 1HE MET 18 2.663 2.973 -7.140 130 3HE MET 18 3HE MET 18 4.083 4.014 -6.950 131 H LYS 19 H LYS 19 2.720 9.501 -5.515 132 HA LYS 19 HA LYS 19 2.106 9.587 -2.535 133 1HB LYS 19 2HB LYS 19 3.533 11.492 -3.296 134 2HB LYS 19 1HB LYS 19 2.318 11.941 -4.486 135 1HG LYS 19 2HG LYS 19 0.771 12.715 -2.844 136 2HG LYS 19 1HG LYS 19 1.574 11.858 -1.533 137 1HD LYS 19 2HD LYS 19 3.461 13.340 -1.583 138 2HD LYS 19 1HD LYS 19 3.008 14.007 -3.137 139 1HE LYS 19 2HE LYS 19 1.079 15.147 -2.052 140 2HE LYS 19 1HE LYS 19 1.594 14.517 -0.487 141 1HZ LYS 19 3HZ LYS 19 3.824 15.733 -1.813 142 2HZ LYS 19 2HZ LYS 19 2.528 16.807 -1.817 143 3HZ LYS 19 1HZ LYS 19 3.107 16.188 -0.352 144 H CYS 20 H CYS 20 -0.353 10.639 -2.302 145 HA CYS 20 HA CYS 20 -1.790 9.242 -4.498 146 1HB CYS 20 2HB CYS 20 -2.080 9.333 -1.830 147 2HB CYS 20 1HB CYS 20 -3.297 10.497 -2.261 148 H ILE 21 H ILE 21 -3.165 10.379 -5.851 149 HA ILE 21 HA ILE 21 -2.849 13.306 -5.842 150 HB ILE 21 HB ILE 21 -2.854 11.250 -8.054 151 1HG1 ILE 21 2HG1 ILE 21 -0.721 11.522 -7.037 152 2HG1 ILE 21 1HG1 ILE 21 -0.695 12.418 -8.553 153 1HG2 ILE 21 1HG2 ILE 21 -4.129 13.130 -9.022 154 2HG2 ILE 21 3HG2 ILE 21 -2.830 14.249 -8.590 155 3HG2 ILE 21 2HG2 ILE 21 -2.553 12.974 -9.753 156 1HD1 ILE 21 3HD1 ILE 21 -0.979 14.541 -7.440 157 2HD1 ILE 21 2HD1 ILE 21 -1.029 13.747 -5.854 158 3HD1 ILE 21 1HD1 ILE 21 0.337 13.548 -6.859 159 H TYR 22 H TYR 22 -3.970 14.565 -6.990 160 HA TYR 22 HA TYR 22 -6.889 14.006 -6.893 161 1HB TYR 22 2HB TYR 22 -5.252 16.409 -5.958 162 2HB TYR 22 1HB TYR 22 -7.009 16.248 -5.706 163 HD1 TYR 22 HD1 TYR 22 -7.734 13.919 -4.460 164 HD2 TYR 22 HD2 TYR 22 -3.767 15.487 -4.509 165 HE1 TYR 22 HE1 TYR 22 -7.103 12.424 -2.661 166 HE2 TYR 22 HE2 TYR 22 -3.137 13.981 -2.729 167 HH TYR 22 HH TYR 22 -5.315 11.533 -1.517 168 H ALA 23 H ALA 23 -4.739 16.530 -8.044 169 HA ALA 23 HA ALA 23 -4.490 17.644 -10.070 170 1HB ALA 23 2HB ALA 23 -4.425 15.340 -11.143 171 2HB ALA 23 1HB ALA 23 -6.174 15.328 -11.254 172 3HB ALA 23 3HB ALA 23 -5.259 16.499 -12.165 173 H TRP 24 H TRP 24 -7.634 16.151 -10.385 174 HA TRP 24 HA TRP 24 -9.148 18.527 -9.718 175 1HB TRP 24 2HB TRP 24 -8.915 19.178 -12.043 176 2HB TRP 24 1HB TRP 24 -8.925 17.501 -12.597 177 HD1 TRP 24 HD1 TRP 24 -11.245 16.347 -12.982 178 HE1 TRP 24 HE1 TRP 24 -13.622 17.021 -12.850 179 HE3 TRP 24 HE3 TRP 24 -10.583 20.838 -10.754 180 HZ2 TRP 24 HZ2 TRP 24 -15.092 19.165 -11.927 181 HZ3 TRP 24 HZ3 TRP 24 -12.582 22.204 -10.240 182 HH2 TRP 24 HH2 TRP 24 -14.836 21.368 -10.830 183 H TYR 25 H TYR 25 -11.088 17.929 -9.124 184 HA TYR 25 HA TYR 25 -13.117 16.698 -8.941 185 1HB TYR 25 2HB TYR 25 -13.341 14.435 -9.493 186 2HB TYR 25 1HB TYR 25 -11.999 14.800 -10.526 187 HD1 TYR 25 HD1 TYR 25 -9.801 14.626 -8.142 188 HD2 TYR 25 HD2 TYR 25 -12.987 12.129 -9.479 189 HE1 TYR 25 HE1 TYR 25 -8.654 12.645 -7.257 190 HE2 TYR 25 HE2 TYR 25 -11.830 10.175 -8.597 191 HH TYR 25 HH TYR 25 -10.074 9.810 -6.672 192 H ASN 26 H ASN 26 -13.785 15.226 -7.029 193 HA ASN 26 HA ASN 26 -11.739 15.334 -4.845 194 1HB ASN 26 2HB ASN 26 -14.633 16.277 -4.491 195 2HB ASN 26 1HB ASN 26 -13.346 16.346 -3.302 196 1HD2 ASN 26 2HD2 ASN 26 -12.190 19.443 -4.544 197 2HD2 ASN 26 1HD2 ASN 26 -12.129 18.299 -3.283 198 H GLN 27 H GLN 27 -11.922 12.989 -5.788 199 HA GLN 27 HA GLN 27 -13.786 11.506 -3.972 200 1HB GLN 27 2HB GLN 27 -13.374 10.979 -6.961 201 2HB GLN 27 1HB GLN 27 -14.162 9.855 -5.871 202 1HG GLN 27 2HG GLN 27 -15.144 12.730 -6.264 203 2HG GLN 27 1HG GLN 27 -15.773 11.370 -7.167 204 1HE2 GLN 27 2HE2 GLN 27 -17.038 11.913 -3.386 205 2HE2 GLN 27 1HE2 GLN 27 -15.906 12.985 -4.061 206 H GLN 28 H GLN 28 -12.002 11.256 -2.685 207 HA GLN 28 HA GLN 28 -10.075 10.183 -1.896 208 1HB GLN 28 2HB GLN 28 -10.728 8.331 -4.264 209 2HB GLN 28 1HB GLN 28 -9.564 7.920 -3.040 210 1HG GLN 28 2HG GLN 28 -11.701 6.804 -2.502 211 2HG GLN 28 1HG GLN 28 -11.397 8.031 -1.294 212 1HE2 GLN 28 2HE2 GLN 28 -14.522 9.500 -1.975 213 2HE2 GLN 28 1HE2 GLN 28 -13.309 9.163 -0.825 214 H GLY 29 H GLY 29 -7.958 8.986 -3.490 215 1HA GLY 29 2HA GLY 29 -7.267 11.060 -5.437 216 2HA GLY 29 1HA GLY 29 -6.186 10.906 -4.027 217 H SER 30 H SER 30 -5.067 10.350 -6.587 218 HA SER 30 HA SER 30 -5.020 7.388 -6.487 219 1HB SER 30 2HB SER 30 -4.463 7.360 -8.901 220 2HB SER 30 1HB SER 30 -5.910 8.343 -8.659 221 HG SER 30 HG SER 30 -4.815 10.030 -9.274 222 H CYS 31 H CYS 31 -3.268 6.112 -6.631 223 HA CYS 31 HA CYS 31 -0.818 7.149 -5.566 224 1HB CYS 31 2HB CYS 31 -1.747 4.586 -6.815 225 2HB CYS 31 1HB CYS 31 -0.039 4.872 -6.902 226 H GLN 32 H GLN 32 0.200 8.795 -6.797 227 HA GLN 32 HA GLN 32 0.588 8.066 -9.641 228 1HB GLN 32 2HB GLN 32 -1.102 10.090 -8.761 229 2HB GLN 32 1HB GLN 32 0.454 10.925 -8.807 230 1HG GLN 32 2HG GLN 32 -0.836 11.225 -10.908 231 2HG GLN 32 1HG GLN 32 0.725 10.463 -11.132 232 1HE2 GLN 32 2HE2 GLN 32 -2.622 7.994 -11.255 233 2HE2 GLN 32 1HE2 GLN 32 -2.544 9.188 -10.057 234 H THR 33 H THR 33 2.547 8.278 -10.331 235 HA THR 33 HA THR 33 4.451 8.639 -8.259 236 HB THR 33 HB THR 33 5.651 8.256 -10.973 237 HG1 THR 33 HG1 THR 33 4.107 6.167 -10.822 238 1HG2 THR 33 2HG2 THR 33 4.930 6.435 -8.672 239 2HG2 THR 33 1HG2 THR 33 6.148 6.111 -9.939 240 3HG2 THR 33 3HG2 THR 33 6.369 7.447 -8.815 241 H THR 34 H THR 34 3.425 11.033 -8.453 242 HA THR 34 HA THR 34 5.792 12.410 -9.238 243 HB THR 34 HB THR 34 4.462 12.491 -11.414 244 HG1 THR 34 HG1 THR 34 4.814 14.582 -11.590 245 1HG2 THR 34 2HG2 THR 34 2.294 13.722 -9.619 246 2HG2 THR 34 1HG2 THR 34 2.149 13.445 -11.350 247 3HG2 THR 34 3HG2 THR 34 2.247 12.086 -10.244 248 H ILE 35 H ILE 35 5.524 14.754 -8.955 249 HA ILE 35 HA ILE 35 5.341 16.564 -7.542 250 HB ILE 35 HB ILE 35 2.733 15.653 -7.472 251 1HG1 ILE 35 2HG1 ILE 35 2.216 17.498 -5.810 252 2HG1 ILE 35 1HG1 ILE 35 3.918 17.583 -5.391 253 1HG2 ILE 35 2HG2 ILE 35 3.122 13.983 -5.534 254 2HG2 ILE 35 1HG2 ILE 35 3.633 15.344 -4.583 255 3HG2 ILE 35 3HG2 ILE 35 1.979 15.221 -5.169 256 1HD1 ILE 35 1HD1 ILE 35 2.761 18.167 -8.151 257 2HD1 ILE 35 3HD1 ILE 35 3.277 19.362 -6.979 258 3HD1 ILE 35 2HD1 ILE 35 4.458 18.318 -7.728 259 H THR 36 H THR 36 4.947 13.450 -5.981 260 HA THR 36 HA THR 36 7.454 13.868 -4.472 261 HB THR 36 HB THR 36 4.881 13.052 -2.988 262 HG1 THR 36 HG1 THR 36 5.930 15.519 -3.711 263 1HG2 THR 36 2HG2 THR 36 7.543 14.215 -2.039 264 2HG2 THR 36 1HG2 THR 36 6.239 13.703 -0.985 265 3HG2 THR 36 3HG2 THR 36 7.118 12.517 -1.929 266 H GLY 37 H GLY 37 6.573 12.366 -6.710 267 1HA GLY 37 2HA GLY 37 6.692 9.550 -5.699 268 2HA GLY 37 1HA GLY 37 5.886 10.021 -7.192 269 H LEU 38 H LEU 38 8.833 11.354 -6.200 270 HA LEU 38 HA LEU 38 10.435 9.595 -7.969 271 1HB LEU 38 2HB LEU 38 9.660 11.211 -9.544 272 2HB LEU 38 1HB LEU 38 9.905 12.538 -8.446 273 HG LEU 38 HG LEU 38 12.455 12.104 -8.651 274 1HD1 LEU 38 1HD1 LEU 38 11.584 10.104 -10.797 275 2HD1 LEU 38 3HD1 LEU 38 13.235 10.575 -10.440 276 3HD1 LEU 38 2HD1 LEU 38 12.314 9.669 -9.262 277 1HD2 LEU 38 3HD2 LEU 38 11.332 13.783 -10.112 278 2HD2 LEU 38 2HD2 LEU 38 12.660 12.988 -10.934 279 3HD2 LEU 38 1HD2 LEU 38 11.008 12.524 -11.291 280 H PHE 39 H PHE 39 10.909 12.784 -6.548 281 HA PHE 39 HA PHE 39 13.494 11.920 -5.386 282 1HB PHE 39 2HB PHE 39 13.406 14.505 -4.670 283 2HB PHE 39 1HB PHE 39 13.706 14.111 -6.354 284 HD1 PHE 39 HD2 PHE 39 11.160 15.367 -3.974 285 HD2 PHE 39 HD1 PHE 39 11.970 14.405 -8.042 286 HE1 PHE 39 HE2 PHE 39 9.100 16.517 -4.666 287 HE2 PHE 39 HE1 PHE 39 9.914 15.547 -8.728 288 HZ PHE 39 HZ PHE 39 8.473 16.606 -7.033 289 H LYS 40 H LYS 40 11.617 10.509 -4.316 290 HA LYS 40 HA LYS 40 11.095 11.676 -1.606 291 1HB LYS 40 2HB LYS 40 8.992 11.263 -2.945 292 2HB LYS 40 1HB LYS 40 9.475 9.620 -3.248 293 1HG LYS 40 2HG LYS 40 8.863 10.678 -0.450 294 2HG LYS 40 1HG LYS 40 7.657 9.970 -1.498 295 1HD LYS 40 2HD LYS 40 8.958 7.835 -1.637 296 2HD LYS 40 1HD LYS 40 10.149 8.449 -0.553 297 1HE LYS 40 2HE LYS 40 7.262 7.848 0.122 298 2HE LYS 40 1HE LYS 40 8.692 7.049 0.728 299 1HZ LYS 40 1HZ LYS 40 8.915 9.778 1.310 300 2HZ LYS 40 3HZ LYS 40 7.428 9.170 1.910 301 3HZ LYS 40 2HZ LYS 40 8.914 8.444 2.308 302 H LYS 41 H LYS 41 11.732 10.347 0.117 303 HA LYS 41 HA LYS 41 13.378 7.964 -0.637 304 1HB LYS 41 2HB LYS 41 13.546 9.807 1.827 305 2HB LYS 41 1HB LYS 41 14.487 8.346 1.620 306 1HG LYS 41 2HG LYS 41 15.557 9.303 -0.447 307 2HG LYS 41 1HG LYS 41 14.569 10.726 -0.299 308 1HD LYS 41 2HD LYS 41 16.835 11.228 0.558 309 2HD LYS 41 1HD LYS 41 15.633 11.392 1.805 310 1HE LYS 41 2HE LYS 41 17.645 10.250 2.668 311 2HE LYS 41 1HE LYS 41 16.245 9.211 2.787 312 1HZ LYS 41 2HZ LYS 41 17.479 8.825 0.271 313 2HZ LYS 41 1HZ LYS 41 18.658 8.670 1.486 314 3HZ LYS 41 3HZ LYS 41 17.262 7.706 1.517 315 H CYS 42 H CYS 42 12.537 6.057 0.006 316 HA CYS 42 HA CYS 42 10.643 5.926 2.253 317 1HB CYS 42 2HB CYS 42 9.783 5.676 -0.457 318 2HB CYS 42 1HB CYS 42 10.167 4.044 -0.041 No H/Q in entry = 318 Start of MODEL 10 1 1H CYS 1 3H CYS 1 0.340 0.061 -0.121 2 2H CYS 1 2H CYS 1 1.567 -0.769 0.704 3 3H CYS 1 1H CYS 1 1.792 0.863 0.251 4 HA CYS 1 HA CYS 1 2.647 0.255 -1.666 5 1HB CYS 1 2HB CYS 1 3.563 -1.538 -0.688 6 2HB CYS 1 1HB CYS 1 2.044 -2.457 -0.723 7 H ALA 2 H ALA 2 1.141 1.228 -3.081 8 HA ALA 2 HA ALA 2 -1.021 -0.511 -4.206 9 1HB ALA 2 1HB ALA 2 -1.851 1.611 -3.075 10 2HB ALA 2 3HB ALA 2 -0.821 2.558 -4.144 11 3HB ALA 2 2HB ALA 2 -2.163 1.638 -4.806 12 H LYS 3 H LYS 3 -1.081 -0.443 -6.592 13 HA LYS 3 HA LYS 3 1.522 0.514 -7.787 14 1HB LYS 3 2HB LYS 3 -0.018 -2.061 -8.146 15 2HB LYS 3 1HB LYS 3 0.796 -1.425 -9.550 16 1HG LYS 3 2HG LYS 3 2.243 -3.022 -8.447 17 2HG LYS 3 1HG LYS 3 2.952 -1.427 -8.394 18 1HD LYS 3 2HD LYS 3 2.233 -1.164 -6.027 19 2HD LYS 3 1HD LYS 3 1.373 -2.692 -6.097 20 1HE LYS 3 2HE LYS 3 3.534 -3.051 -4.994 21 2HE LYS 3 1HE LYS 3 3.540 -3.867 -6.533 22 1HZ LYS 3 1HZ LYS 3 4.450 -1.279 -7.010 23 2HZ LYS 3 3HZ LYS 3 5.267 -1.818 -5.632 24 3HZ LYS 3 2HZ LYS 3 5.331 -2.720 -7.075 25 H LYS 4 H LYS 4 -0.527 2.205 -7.627 26 HA LYS 4 HA LYS 4 -1.676 3.808 -8.885 27 1HB LYS 4 2HB LYS 4 -0.770 2.600 -11.543 28 2HB LYS 4 1HB LYS 4 -0.921 4.285 -11.049 29 1HG LYS 4 2HG LYS 4 1.197 3.152 -9.464 30 2HG LYS 4 1HG LYS 4 1.480 2.584 -11.083 31 1HD LYS 4 2HD LYS 4 1.025 5.511 -10.435 32 2HD LYS 4 1HD LYS 4 2.602 4.797 -10.278 33 1HE LYS 4 2HE LYS 4 2.427 6.008 -12.401 34 2HE LYS 4 1HE LYS 4 2.687 4.301 -12.688 35 1HZ LYS 4 3HZ LYS 4 -0.060 4.688 -12.602 36 2HZ LYS 4 2HZ LYS 4 0.577 5.977 -13.500 37 3HZ LYS 4 1HZ LYS 4 0.872 4.365 -13.984 38 H ARG 5 H ARG 5 -3.217 3.483 -11.191 39 HA ARG 5 HA ARG 5 -5.040 2.459 -12.223 40 1HB ARG 5 2HB ARG 5 -3.433 0.467 -12.333 41 2HB ARG 5 1HB ARG 5 -4.155 -0.122 -10.848 42 1HG ARG 5 2HG ARG 5 -6.342 -0.304 -11.849 43 2HG ARG 5 1HG ARG 5 -5.777 0.426 -13.348 44 1HD ARG 5 2HD ARG 5 -4.159 -1.463 -13.654 45 2HD ARG 5 1HD ARG 5 -4.735 -2.177 -12.145 46 HE ARG 5 HE ARG 5 -6.939 -2.512 -13.209 47 1HH1 ARG 5 2HH1 ARG 5 -7.222 -0.738 -15.271 48 2HH1 ARG 5 1HH1 ARG 5 -6.697 -1.496 -16.725 49 1HH2 ARG 5 1HH2 ARG 5 -4.960 -3.963 -14.835 50 2HH2 ARG 5 2HH2 ARG 5 -5.328 -3.516 -16.457 51 H ASN 6 H ASN 6 -4.548 1.105 -9.133 52 HA ASN 6 HA ASN 6 -7.273 1.640 -8.042 53 1HB ASN 6 2HB ASN 6 -4.999 -0.381 -7.459 54 2HB ASN 6 1HB ASN 6 -6.426 -0.267 -6.440 55 1HD2 ASN 6 2HD2 ASN 6 -8.289 -2.351 -8.628 56 2HD2 ASN 6 1HD2 ASN 6 -8.133 -1.703 -7.066 57 H TRP 7 H TRP 7 -7.152 2.855 -6.160 58 HA TRP 7 HA TRP 7 -4.505 4.191 -5.915 59 1HB TRP 7 2HB TRP 7 -5.774 6.170 -5.206 60 2HB TRP 7 1HB TRP 7 -6.274 5.629 -6.796 61 HD1 TRP 7 HD1 TRP 7 -7.474 4.664 -3.294 62 HE1 TRP 7 HE1 TRP 7 -9.972 5.115 -3.091 63 HE3 TRP 7 HE3 TRP 7 -8.301 6.380 -7.952 64 HZ2 TRP 7 HZ2 TRP 7 -11.934 5.939 -4.641 65 HZ3 TRP 7 HZ3 TRP 7 -10.614 7.004 -8.585 66 HH2 TRP 7 HH2 TRP 7 -12.448 6.788 -6.928 67 H CYS 8 H CYS 8 -4.404 5.511 -4.068 68 HA CYS 8 HA CYS 8 -4.510 3.849 -1.613 69 1HB CYS 8 2HB CYS 8 -2.782 5.851 -1.083 70 2HB CYS 8 1HB CYS 8 -2.303 4.414 -1.938 71 H GLY 9 H GLY 9 -5.664 6.653 -3.150 72 1HA GLY 9 2HA GLY 9 -7.569 7.918 -2.462 73 2HA GLY 9 1HA GLY 9 -7.403 7.282 -0.840 74 H LYS 10 H LYS 10 -5.047 7.656 -0.136 75 HA LYS 10 HA LYS 10 -4.149 10.457 -0.453 76 1HB LYS 10 2HB LYS 10 -4.027 10.564 2.154 77 2HB LYS 10 1HB LYS 10 -5.690 10.339 1.615 78 1HG LYS 10 2HG LYS 10 -5.537 7.894 1.945 79 2HG LYS 10 1HG LYS 10 -3.843 7.974 2.092 80 1HD LYS 10 2HD LYS 10 -4.768 7.476 4.115 81 2HD LYS 10 1HD LYS 10 -3.904 8.999 4.260 82 1HE LYS 10 2HE LYS 10 -6.052 10.164 4.468 83 2HE LYS 10 1HE LYS 10 -6.936 8.669 4.152 84 1HZ LYS 10 3HZ LYS 10 -5.046 8.149 6.197 85 2HZ LYS 10 2HZ LYS 10 -5.891 9.531 6.657 86 3HZ LYS 10 1HZ LYS 10 -6.689 8.063 6.280 87 H ASN 11 H ASN 11 -2.181 10.647 1.135 88 HA ASN 11 HA ASN 11 -0.307 8.860 -0.177 89 1HB ASN 11 2HB ASN 11 0.172 11.360 0.438 90 2HB ASN 11 1HB ASN 11 0.312 10.826 2.109 91 1HD2 ASN 11 2HD2 ASN 11 3.447 9.133 1.487 92 2HD2 ASN 11 1HD2 ASN 11 2.091 9.097 2.521 93 H GLU 12 H GLU 12 -1.945 7.166 1.254 94 HA GLU 12 HA GLU 12 -0.365 6.613 3.774 95 1HB GLU 12 2HB GLU 12 -2.808 7.309 3.711 96 2HB GLU 12 1HB GLU 12 -3.190 5.622 3.358 97 1HG GLU 12 2HG GLU 12 -2.425 4.966 5.543 98 2HG GLU 12 1HG GLU 12 -1.423 6.395 5.741 99 H ASP 13 H ASP 13 -2.151 4.627 1.286 100 HA ASP 13 HA ASP 13 -0.303 2.422 2.081 101 1HB ASP 13 2HB ASP 13 -2.005 0.925 1.003 102 2HB ASP 13 1HB ASP 13 -2.677 1.881 2.315 103 H CYS 14 H CYS 14 0.694 4.371 0.065 104 HA CYS 14 HA CYS 14 0.605 2.873 -2.470 105 1HB CYS 14 2HB CYS 14 1.948 5.378 -1.558 106 2HB CYS 14 1HB CYS 14 2.648 4.577 -2.917 107 H CYS 15 H CYS 15 2.551 2.407 -3.625 108 HA CYS 15 HA CYS 15 4.667 1.024 -2.038 109 1HB CYS 15 2HB CYS 15 2.887 -0.087 -3.942 110 2HB CYS 15 1HB CYS 15 4.225 0.358 -4.926 111 H CYS 16 H CYS 16 5.629 2.978 -1.913 112 HA CYS 16 HA CYS 16 6.167 5.073 -3.577 113 1HB CYS 16 2HB CYS 16 8.325 5.356 -2.678 114 2HB CYS 16 1HB CYS 16 7.129 5.053 -1.454 115 HA PRO 17 HA PRO 17 7.516 6.423 -4.238 116 1HB PRO 17 2HB PRO 17 8.806 7.822 -6.020 117 2HB PRO 17 1HB PRO 17 9.709 6.571 -5.133 118 1HG PRO 17 2HG PRO 17 8.532 6.395 -7.948 119 2HG PRO 17 1HG PRO 17 10.101 5.814 -7.393 120 1HD PRO 17 2HD PRO 17 7.670 4.257 -7.496 121 2HD PRO 17 1HD PRO 17 9.188 3.763 -6.725 122 H MET 18 H MET 18 5.442 6.568 -4.174 123 HA MET 18 HA MET 18 4.331 8.166 -6.375 124 1HB MET 18 2HB MET 18 3.375 5.614 -5.242 125 2HB MET 18 1HB MET 18 2.145 6.751 -5.743 126 1HG MET 18 2HG MET 18 2.446 5.668 -7.764 127 2HG MET 18 1HG MET 18 3.744 6.783 -7.926 128 1HE MET 18 2HE MET 18 2.512 3.566 -7.762 129 2HE MET 18 1HE MET 18 3.774 2.498 -7.108 130 3HE MET 18 3HE MET 18 3.031 3.714 -6.068 131 H LYS 19 H LYS 19 2.688 9.300 -5.949 132 HA LYS 19 HA LYS 19 2.153 9.937 -3.018 133 1HB LYS 19 2HB LYS 19 3.542 11.623 -4.429 134 2HB LYS 19 1HB LYS 19 2.113 11.855 -5.399 135 1HG LYS 19 2HG LYS 19 2.234 12.382 -2.405 136 2HG LYS 19 1HG LYS 19 2.491 13.622 -3.609 137 1HD LYS 19 2HD LYS 19 0.144 12.887 -4.550 138 2HD LYS 19 1HD LYS 19 -0.116 12.260 -2.936 139 1HE LYS 19 2HE LYS 19 0.705 15.107 -3.631 140 2HE LYS 19 1HE LYS 19 -0.884 14.623 -3.102 141 1HZ LYS 19 2HZ LYS 19 1.012 13.687 -1.212 142 2HZ LYS 19 1HZ LYS 19 1.345 15.291 -1.565 143 3HZ LYS 19 3HZ LYS 19 -0.193 14.861 -0.997 144 H CYS 20 H CYS 20 -0.356 10.121 -2.629 145 HA CYS 20 HA CYS 20 -1.690 8.862 -4.899 146 1HB CYS 20 2HB CYS 20 -1.998 8.812 -2.255 147 2HB CYS 20 1HB CYS 20 -3.205 10.015 -2.558 148 H ILE 21 H ILE 21 -2.636 9.963 -6.474 149 HA ILE 21 HA ILE 21 -2.650 12.880 -6.417 150 HB ILE 21 HB ILE 21 -2.679 10.783 -8.643 151 1HG1 ILE 21 2HG1 ILE 21 -0.570 11.040 -7.625 152 2HG1 ILE 21 1HG1 ILE 21 -0.526 11.871 -9.179 153 1HG2 ILE 21 1HG2 ILE 21 -2.708 13.796 -9.091 154 2HG2 ILE 21 3HG2 ILE 21 -2.483 12.554 -10.307 155 3HG2 ILE 21 2HG2 ILE 21 -4.025 12.680 -9.492 156 1HD1 ILE 21 3HD1 ILE 21 -0.828 14.046 -8.068 157 2HD1 ILE 21 2HD1 ILE 21 -0.853 13.257 -6.485 158 3HD1 ILE 21 1HD1 ILE 21 0.496 13.073 -7.493 159 H TYR 22 H TYR 22 -3.921 14.054 -7.386 160 HA TYR 22 HA TYR 22 -6.764 13.343 -6.994 161 1HB TYR 22 2HB TYR 22 -5.168 15.856 -6.522 162 2HB TYR 22 1HB TYR 22 -6.870 15.660 -6.046 163 HD1 TYR 22 HD1 TYR 22 -7.224 13.228 -4.777 164 HD2 TYR 22 HD2 TYR 22 -3.594 15.417 -4.886 165 HE1 TYR 22 HE1 TYR 22 -6.388 11.945 -2.852 166 HE2 TYR 22 HE2 TYR 22 -2.786 14.135 -2.979 167 HH TYR 22 HH TYR 22 -3.228 11.880 -2.033 168 H ALA 23 H ALA 23 -4.716 14.861 -9.404 169 HA ALA 23 HA ALA 23 -5.323 15.889 -11.465 170 1HB ALA 23 1HB ALA 23 -7.553 13.801 -11.214 171 2HB ALA 23 3HB ALA 23 -7.072 14.584 -12.701 172 3HB ALA 23 2HB ALA 23 -5.967 13.475 -11.903 173 H TRP 24 H TRP 24 -6.025 17.148 -9.305 174 HA TRP 24 HA TRP 24 -7.098 19.070 -8.608 175 1HB TRP 24 2HB TRP 24 -8.303 20.329 -10.157 176 2HB TRP 24 1HB TRP 24 -7.724 19.146 -11.299 177 HD1 TRP 24 HD1 TRP 24 -9.588 17.935 -12.718 178 HE1 TRP 24 HE1 TRP 24 -12.079 17.796 -12.670 179 HE3 TRP 24 HE3 TRP 24 -10.372 20.278 -8.300 180 HZ2 TRP 24 HZ2 TRP 24 -14.128 18.549 -11.011 181 HZ3 TRP 24 HZ3 TRP 24 -12.698 20.548 -7.507 182 HH2 TRP 24 HH2 TRP 24 -14.578 19.685 -8.866 183 H TYR 25 H TYR 25 -9.217 16.462 -9.607 184 HA TYR 25 HA TYR 25 -11.491 16.786 -8.205 185 1HB TYR 25 2HB TYR 25 -9.978 14.442 -9.096 186 2HB TYR 25 1HB TYR 25 -10.808 14.058 -7.607 187 HD1 TYR 25 HD1 TYR 25 -11.529 16.053 -10.706 188 HD2 TYR 25 HD2 TYR 25 -12.933 13.172 -7.911 189 HE1 TYR 25 HE1 TYR 25 -13.630 15.878 -11.948 190 HE2 TYR 25 HE2 TYR 25 -15.043 13.003 -9.158 191 HH TYR 25 HH TYR 25 -15.775 15.052 -11.898 192 H ASN 26 H ASN 26 -12.402 16.539 -6.323 193 HA ASN 26 HA ASN 26 -10.641 16.432 -3.896 194 1HB ASN 26 2HB ASN 26 -11.942 18.583 -4.483 195 2HB ASN 26 1HB ASN 26 -13.411 17.681 -4.140 196 1HD2 ASN 26 2HD2 ASN 26 -12.865 17.701 -0.624 197 2HD2 ASN 26 1HD2 ASN 26 -13.678 16.882 -1.883 198 H GLN 27 H GLN 27 -11.267 14.072 -4.961 199 HA GLN 27 HA GLN 27 -12.972 12.861 -2.899 200 1HB GLN 27 2HB GLN 27 -14.511 13.544 -4.836 201 2HB GLN 27 1HB GLN 27 -13.639 12.386 -5.832 202 1HG GLN 27 2HG GLN 27 -14.277 10.546 -4.273 203 2HG GLN 27 1HG GLN 27 -15.127 11.694 -3.249 204 1HE2 GLN 27 2HE2 GLN 27 -17.002 11.597 -6.817 205 2HE2 GLN 27 1HE2 GLN 27 -15.428 12.235 -6.714 206 H GLN 28 H GLN 28 -11.082 11.767 -2.257 207 HA GLN 28 HA GLN 28 -9.788 9.824 -2.097 208 1HB GLN 28 2HB GLN 28 -10.668 9.118 -4.995 209 2HB GLN 28 1HB GLN 28 -9.883 8.068 -3.865 210 1HG GLN 28 2HG GLN 28 -12.525 9.253 -3.055 211 2HG GLN 28 1HG GLN 28 -12.494 7.857 -4.098 212 1HE2 GLN 28 2HE2 GLN 28 -12.189 7.143 -0.277 213 2HE2 GLN 28 1HE2 GLN 28 -13.015 8.453 -0.987 214 H GLY 29 H GLY 29 -8.046 8.760 -3.877 215 1HA GLY 29 2HA GLY 29 -6.661 10.955 -5.199 216 2HA GLY 29 1HA GLY 29 -5.790 10.137 -3.891 217 H SER 30 H SER 30 -4.413 9.724 -5.905 218 HA SER 30 HA SER 30 -4.929 6.961 -6.738 219 1HB SER 30 2HB SER 30 -4.486 7.587 -9.181 220 2HB SER 30 1HB SER 30 -6.016 8.200 -8.519 221 HG SER 30 HG SER 30 -5.093 10.167 -8.167 222 H CYS 31 H CYS 31 -3.145 5.876 -6.161 223 HA CYS 31 HA CYS 31 -0.651 6.938 -5.571 224 1HB CYS 31 2HB CYS 31 -1.621 4.508 -5.277 225 2HB CYS 31 1HB CYS 31 -0.923 4.228 -6.855 226 H GLN 32 H GLN 32 0.204 8.437 -7.024 227 HA GLN 32 HA GLN 32 0.939 7.337 -9.691 228 1HB GLN 32 2HB GLN 32 -0.924 9.315 -9.372 229 2HB GLN 32 1HB GLN 32 0.560 10.237 -9.205 230 1HG GLN 32 2HG GLN 32 -0.261 10.260 -11.520 231 2HG GLN 32 1HG GLN 32 1.367 9.623 -11.351 232 1HE2 GLN 32 2HE2 GLN 32 -1.567 6.716 -11.712 233 2HE2 GLN 32 1HE2 GLN 32 -1.710 7.944 -10.557 234 H THR 33 H THR 33 2.843 7.781 -10.563 235 HA THR 33 HA THR 33 4.707 8.314 -8.511 236 HB THR 33 HB THR 33 6.003 8.168 -11.221 237 HG1 THR 33 HG1 THR 33 4.753 6.923 -12.220 238 1HG2 THR 33 3HG2 THR 33 5.486 6.189 -9.086 239 2HG2 THR 33 2HG2 THR 33 6.704 6.063 -10.376 240 3HG2 THR 33 1HG2 THR 33 6.805 7.363 -9.181 241 H THR 34 H THR 34 3.489 10.687 -8.689 242 HA THR 34 HA THR 34 5.687 12.266 -9.471 243 HB THR 34 HB THR 34 4.587 12.008 -11.778 244 HG1 THR 34 HG1 THR 34 4.789 14.130 -12.110 245 1HG2 THR 34 3HG2 THR 34 2.332 11.469 -10.729 246 2HG2 THR 34 2HG2 THR 34 2.137 13.163 -10.331 247 3HG2 THR 34 1HG2 THR 34 2.201 12.657 -12.019 248 H ILE 35 H ILE 35 4.845 14.648 -9.596 249 HA ILE 35 HA ILE 35 4.131 16.541 -8.472 250 HB ILE 35 HB ILE 35 1.921 14.874 -8.189 251 1HG1 ILE 35 2HG1 ILE 35 1.810 17.314 -8.445 252 2HG1 ILE 35 1HG1 ILE 35 0.732 16.801 -7.175 253 1HG2 ILE 35 2HG2 ILE 35 2.673 13.853 -6.033 254 2HG2 ILE 35 1HG2 ILE 35 2.739 15.435 -5.315 255 3HG2 ILE 35 3HG2 ILE 35 1.205 14.757 -5.872 256 1HD1 ILE 35 3HD1 ILE 35 3.507 18.012 -6.728 257 2HD1 ILE 35 2HD1 ILE 35 1.978 18.829 -6.503 258 3HD1 ILE 35 1HD1 ILE 35 2.421 17.508 -5.447 259 H THR 36 H THR 36 4.476 13.694 -6.500 260 HA THR 36 HA THR 36 6.831 14.775 -5.077 261 HB THR 36 HB THR 36 4.473 13.526 -3.543 262 HG1 THR 36 HG1 THR 36 4.883 16.076 -4.546 263 1HG2 THR 36 1HG2 THR 36 6.728 13.581 -2.399 264 2HG2 THR 36 3HG2 THR 36 6.749 15.321 -2.621 265 3HG2 THR 36 2HG2 THR 36 5.531 14.587 -1.599 266 H GLY 37 H GLY 37 6.347 12.840 -7.209 267 1HA GLY 37 2HA GLY 37 6.853 10.250 -5.762 268 2HA GLY 37 1HA GLY 37 6.241 10.381 -7.412 269 H LEU 38 H LEU 38 8.693 12.329 -6.234 270 HA LEU 38 HA LEU 38 10.810 10.782 -7.649 271 1HB LEU 38 2HB LEU 38 10.068 12.501 -9.164 272 2HB LEU 38 1HB LEU 38 9.998 13.681 -7.892 273 HG LEU 38 HG LEU 38 12.581 13.568 -7.778 274 1HD1 LEU 38 3HD1 LEU 38 12.234 11.624 -10.116 275 2HD1 LEU 38 2HD1 LEU 38 13.768 12.244 -9.528 276 3HD1 LEU 38 1HD1 LEU 38 12.809 11.190 -8.515 277 1HD2 LEU 38 3HD2 LEU 38 11.546 15.224 -9.329 278 2HD2 LEU 38 2HD2 LEU 38 13.058 14.612 -9.975 279 3HD2 LEU 38 1HD2 LEU 38 11.530 14.020 -10.608 280 H PHE 39 H PHE 39 10.244 13.621 -5.601 281 HA PHE 39 HA PHE 39 12.691 12.987 -4.039 282 1HB PHE 39 2HB PHE 39 12.205 15.272 -2.987 283 2HB PHE 39 1HB PHE 39 12.555 15.350 -4.699 284 HD1 PHE 39 HD1 PHE 39 10.517 15.486 -6.334 285 HD2 PHE 39 HD2 PHE 39 10.170 16.141 -2.133 286 HE1 PHE 39 HE1 PHE 39 8.373 16.634 -6.680 287 HE2 PHE 39 HE2 PHE 39 8.047 17.299 -2.496 288 HZ PHE 39 HZ PHE 39 7.140 17.547 -4.772 289 H LYS 40 H LYS 40 11.362 11.065 -3.472 290 HA LYS 40 HA LYS 40 9.547 11.587 -1.138 291 1HB LYS 40 2HB LYS 40 8.475 9.445 -1.702 292 2HB LYS 40 1HB LYS 40 8.649 10.354 -3.167 293 1HG LYS 40 2HG LYS 40 9.548 8.410 -3.976 294 2HG LYS 40 1HG LYS 40 11.033 9.032 -3.300 295 1HD LYS 40 2HD LYS 40 10.438 7.781 -1.125 296 2HD LYS 40 1HD LYS 40 9.122 7.053 -2.014 297 1HE LYS 40 2HE LYS 40 11.026 6.216 -3.699 298 2HE LYS 40 1HE LYS 40 12.133 6.735 -2.457 299 1HZ LYS 40 3HZ LYS 40 10.330 5.019 -1.146 300 2HZ LYS 40 2HZ LYS 40 10.726 4.274 -2.587 301 3HZ LYS 40 1HZ LYS 40 11.903 4.788 -1.490 302 H LYS 41 H LYS 41 9.896 10.302 0.797 303 HA LYS 41 HA LYS 41 12.628 9.086 0.946 304 1HB LYS 41 2HB LYS 41 12.423 11.305 2.160 305 2HB LYS 41 1HB LYS 41 11.224 10.552 3.217 306 1HG LYS 41 2HG LYS 41 12.858 8.764 3.818 307 2HG LYS 41 1HG LYS 41 14.048 9.473 2.744 308 1HD LYS 41 2HD LYS 41 14.064 11.513 4.135 309 2HD LYS 41 1HD LYS 41 12.844 10.792 5.192 310 1HE LYS 41 2HE LYS 41 14.357 8.873 5.672 311 2HE LYS 41 1HE LYS 41 15.579 9.544 4.601 312 1HZ LYS 41 2HZ LYS 41 14.827 11.527 6.432 313 2HZ LYS 41 1HZ LYS 41 15.162 10.113 7.306 314 3HZ LYS 41 3HZ LYS 41 16.332 10.760 6.265 315 H CYS 42 H CYS 42 11.441 7.255 0.335 316 HA CYS 42 HA CYS 42 10.390 5.686 2.617 317 1HB CYS 42 2HB CYS 42 8.483 6.031 1.236 318 2HB CYS 42 1HB CYS 42 9.280 5.999 -0.254 No H/Q in entry = 318 Start of MODEL 11 1 1H CYS 1 3H CYS 1 0.343 0.145 0.416 2 2H CYS 1 2H CYS 1 1.755 -0.591 1.009 3 3H CYS 1 1H CYS 1 1.785 1.036 0.497 4 HA CYS 1 HA CYS 1 2.367 0.458 -1.474 5 1HB CYS 1 2HB CYS 1 2.405 -2.153 -0.257 6 2HB CYS 1 1HB CYS 1 2.346 -2.073 -2.012 7 H ALA 2 H ALA 2 0.577 1.307 -2.638 8 HA ALA 2 HA ALA 2 -1.326 -0.694 -3.769 9 1HB ALA 2 1HB ALA 2 -2.511 1.188 -2.408 10 2HB ALA 2 3HB ALA 2 -1.755 2.364 -3.475 11 3HB ALA 2 2HB ALA 2 -2.911 1.215 -4.113 12 H LYS 3 H LYS 3 -1.842 0.330 -6.120 13 HA LYS 3 HA LYS 3 0.644 1.589 -7.182 14 1HB LYS 3 2HB LYS 3 -0.791 -0.911 -8.262 15 2HB LYS 3 1HB LYS 3 0.395 -0.024 -9.204 16 1HG LYS 3 2HG LYS 3 2.103 -0.418 -7.354 17 2HG LYS 3 1HG LYS 3 0.900 -1.293 -6.453 18 1HD LYS 3 2HD LYS 3 2.196 -2.992 -7.442 19 2HD LYS 3 1HD LYS 3 0.743 -2.941 -8.413 20 1HE LYS 3 2HE LYS 3 2.035 -1.517 -10.121 21 2HE LYS 3 1HE LYS 3 3.476 -1.747 -9.145 22 1HZ LYS 3 3HZ LYS 3 2.310 -4.273 -9.612 23 2HZ LYS 3 2HZ LYS 3 2.398 -3.464 -11.089 24 3HZ LYS 3 1HZ LYS 3 3.810 -3.718 -10.167 25 H LYS 4 H LYS 4 0.171 2.498 -9.393 26 HA LYS 4 HA LYS 4 -1.869 4.330 -9.233 27 1HB LYS 4 2HB LYS 4 -1.539 4.813 -11.589 28 2HB LYS 4 1HB LYS 4 -0.022 4.522 -10.793 29 1HG LYS 4 2HG LYS 4 -0.060 2.143 -11.721 30 2HG LYS 4 1HG LYS 4 -1.494 2.584 -12.621 31 1HD LYS 4 2HD LYS 4 -0.101 4.579 -13.603 32 2HD LYS 4 1HD LYS 4 1.284 3.857 -12.829 33 1HE LYS 4 2HE LYS 4 1.193 3.137 -15.164 34 2HE LYS 4 1HE LYS 4 0.983 1.758 -14.093 35 1HZ LYS 4 1HZ LYS 4 -1.543 2.958 -14.634 36 2HZ LYS 4 3HZ LYS 4 -0.735 2.630 -16.089 37 3HZ LYS 4 2HZ LYS 4 -1.004 1.384 -14.970 38 H ARG 5 H ARG 5 -3.991 4.312 -10.759 39 HA ARG 5 HA ARG 5 -5.900 3.326 -11.729 40 1HB ARG 5 2HB ARG 5 -4.078 1.607 -12.694 41 2HB ARG 5 1HB ARG 5 -4.694 0.533 -11.459 42 1HG ARG 5 2HG ARG 5 -6.974 0.669 -12.383 43 2HG ARG 5 1HG ARG 5 -6.449 1.823 -13.595 44 1HD ARG 5 2HD ARG 5 -4.764 0.021 -14.418 45 2HD ARG 5 1HD ARG 5 -5.594 -1.113 -13.368 46 HE ARG 5 HE ARG 5 -7.046 0.353 -15.568 47 1HH1 ARG 5 1HH2 ARG 5 -8.648 -1.243 -13.772 48 2HH1 ARG 5 2HH2 ARG 5 -8.799 -2.770 -14.562 49 1HH2 ARG 5 2HH1 ARG 5 -5.993 -2.028 -16.615 50 2HH2 ARG 5 1HH1 ARG 5 -7.156 -3.255 -16.294 51 H ASN 6 H ASN 6 -4.434 1.428 -9.073 52 HA ASN 6 HA ASN 6 -7.110 1.425 -7.659 53 1HB ASN 6 2HB ASN 6 -4.925 -0.744 -7.717 54 2HB ASN 6 1HB ASN 6 -6.325 -0.790 -6.671 55 1HD2 ASN 6 2HD2 ASN 6 -8.092 -0.952 -10.201 56 2HD2 ASN 6 1HD2 ASN 6 -7.682 0.508 -9.431 57 H TRP 7 H TRP 7 -6.397 3.320 -7.122 58 HA TRP 7 HA TRP 7 -4.116 4.014 -5.719 59 1HB TRP 7 2HB TRP 7 -5.281 5.994 -5.142 60 2HB TRP 7 1HB TRP 7 -5.726 5.569 -6.783 61 HD1 TRP 7 HD1 TRP 7 -7.303 4.897 -3.278 62 HE1 TRP 7 HE1 TRP 7 -9.692 5.684 -3.291 63 HE3 TRP 7 HE3 TRP 7 -7.610 6.350 -8.132 64 HZ2 TRP 7 HZ2 TRP 7 -11.423 6.660 -5.050 65 HZ3 TRP 7 HZ3 TRP 7 -9.757 7.230 -8.945 66 HH2 TRP 7 HH2 TRP 7 -11.683 7.384 -7.402 67 H CYS 8 H CYS 8 -4.385 5.297 -3.821 68 HA CYS 8 HA CYS 8 -4.784 3.536 -1.471 69 1HB CYS 8 2HB CYS 8 -3.220 5.653 -0.680 70 2HB CYS 8 1HB CYS 8 -2.621 4.150 -1.300 71 H GLY 9 H GLY 9 -5.401 6.789 -2.577 72 1HA GLY 9 2HA GLY 9 -7.629 7.778 -1.987 73 2HA GLY 9 1HA GLY 9 -7.321 7.265 -0.304 74 H LYS 10 H LYS 10 -4.763 7.643 0.155 75 HA LYS 10 HA LYS 10 -3.728 10.153 -0.867 76 1HB LYS 10 2HB LYS 10 -3.719 11.264 1.262 77 2HB LYS 10 1HB LYS 10 -5.244 10.429 1.397 78 1HG LYS 10 2HG LYS 10 -4.045 8.548 2.657 79 2HG LYS 10 1HG LYS 10 -2.560 9.465 2.494 80 1HD LYS 10 2HD LYS 10 -3.283 9.974 4.659 81 2HD LYS 10 1HD LYS 10 -3.540 11.353 3.649 82 1HE LYS 10 2HE LYS 10 -5.788 11.293 4.320 83 2HE LYS 10 1HE LYS 10 -5.955 9.777 3.461 84 1HZ LYS 10 2HZ LYS 10 -4.667 9.282 5.959 85 2HZ LYS 10 1HZ LYS 10 -6.131 10.066 6.226 86 3HZ LYS 10 3HZ LYS 10 -5.975 8.618 5.294 87 H ASN 11 H ASN 11 -1.515 10.109 -0.429 88 HA ASN 11 HA ASN 11 -0.132 7.911 -1.084 89 1HB ASN 11 2HB ASN 11 1.777 8.886 0.488 90 2HB ASN 11 1HB ASN 11 1.197 9.852 -0.848 91 1HD2 ASN 11 2HD2 ASN 11 0.708 11.237 2.878 92 2HD2 ASN 11 1HD2 ASN 11 1.644 9.864 2.527 93 H GLU 12 H GLU 12 -1.460 8.152 2.150 94 HA GLU 12 HA GLU 12 -0.134 6.695 3.885 95 1HB GLU 12 2HB GLU 12 -2.992 6.318 2.997 96 2HB GLU 12 1HB GLU 12 -2.357 5.282 4.263 97 1HG GLU 12 2HG GLU 12 -1.663 7.192 5.590 98 2HG GLU 12 1HG GLU 12 -2.103 8.332 4.348 99 H ASP 13 H ASP 13 -2.028 4.468 1.875 100 HA ASP 13 HA ASP 13 0.113 2.454 2.391 101 1HB ASP 13 2HB ASP 13 -2.811 2.173 1.641 102 2HB ASP 13 1HB ASP 13 -1.717 0.805 1.581 103 H CYS 14 H CYS 14 0.531 4.439 0.304 104 HA CYS 14 HA CYS 14 0.106 2.927 -2.240 105 1HB CYS 14 2HB CYS 14 0.138 5.502 -2.071 106 2HB CYS 14 1HB CYS 14 1.864 5.379 -1.798 107 H CYS 15 H CYS 15 2.075 2.570 -3.551 108 HA CYS 15 HA CYS 15 4.238 1.347 -1.886 109 1HB CYS 15 2HB CYS 15 2.571 0.083 -3.712 110 2HB CYS 15 1HB CYS 15 3.841 0.588 -4.729 111 H CYS 16 H CYS 16 5.430 3.097 -1.767 112 HA CYS 16 HA CYS 16 6.086 5.046 -3.580 113 1HB CYS 16 2HB CYS 16 8.409 5.047 -2.566 114 2HB CYS 16 1HB CYS 16 7.050 5.310 -1.523 115 HA PRO 17 HA PRO 17 7.696 6.213 -4.061 116 1HB PRO 17 2HB PRO 17 9.488 7.297 -5.533 117 2HB PRO 17 1HB PRO 17 10.034 5.934 -4.508 118 1HG PRO 17 2HG PRO 17 9.366 5.999 -7.530 119 2HG PRO 17 1HG PRO 17 10.650 5.075 -6.744 120 1HD PRO 17 2HD PRO 17 7.961 4.125 -7.321 121 2HD PRO 17 1HD PRO 17 9.208 3.272 -6.394 122 H MET 18 H MET 18 5.664 6.269 -4.544 123 HA MET 18 HA MET 18 4.934 8.207 -6.622 124 1HB MET 18 2HB MET 18 3.715 5.695 -5.725 125 2HB MET 18 1HB MET 18 2.858 6.824 -6.760 126 1HG MET 18 2HG MET 18 3.970 6.048 -8.625 127 2HG MET 18 1HG MET 18 5.504 6.094 -7.781 128 1HE MET 18 1HE MET 18 2.315 4.480 -7.201 129 2HE MET 18 3HE MET 18 2.586 2.751 -7.127 130 3HE MET 18 2HE MET 18 3.130 3.778 -5.800 131 H LYS 19 H LYS 19 3.059 9.149 -6.112 132 HA LYS 19 HA LYS 19 2.401 9.204 -3.156 133 1HB LYS 19 2HB LYS 19 3.897 11.119 -4.238 134 2HB LYS 19 1HB LYS 19 2.386 11.623 -4.954 135 1HG LYS 19 2HG LYS 19 2.858 11.400 -1.940 136 2HG LYS 19 1HG LYS 19 2.964 12.894 -2.839 137 1HD LYS 19 2HD LYS 19 0.609 12.646 -3.571 138 2HD LYS 19 1HD LYS 19 0.462 11.233 -2.542 139 1HE LYS 19 2HE LYS 19 1.167 12.679 -0.567 140 2HE LYS 19 1HE LYS 19 1.018 14.064 -1.640 141 1HZ LYS 19 3HZ LYS 19 -1.246 12.476 -1.998 142 2HZ LYS 19 2HZ LYS 19 -0.988 12.618 -0.311 143 3HZ LYS 19 1HZ LYS 19 -1.177 14.022 -1.273 144 H CYS 20 H CYS 20 0.014 9.423 -2.832 145 HA CYS 20 HA CYS 20 -1.495 8.676 -5.205 146 1HB CYS 20 2HB CYS 20 -1.821 8.635 -2.369 147 2HB CYS 20 1HB CYS 20 -3.056 9.730 -2.896 148 H ILE 21 H ILE 21 -2.127 10.117 -6.653 149 HA ILE 21 HA ILE 21 -1.663 13.013 -6.327 150 HB ILE 21 HB ILE 21 -2.475 11.347 -8.745 151 1HG1 ILE 21 2HG1 ILE 21 -0.373 10.717 -8.059 152 2HG1 ILE 21 1HG1 ILE 21 -0.284 11.662 -9.566 153 1HG2 ILE 21 1HG2 ILE 21 -1.536 14.227 -8.776 154 2HG2 ILE 21 3HG2 ILE 21 -1.703 13.192 -10.178 155 3HG2 ILE 21 2HG2 ILE 21 -3.126 13.625 -9.275 156 1HD1 ILE 21 2HD1 ILE 21 0.549 13.613 -8.224 157 2HD1 ILE 21 1HD1 ILE 21 0.515 12.534 -6.837 158 3HD1 ILE 21 3HD1 ILE 21 1.605 12.210 -8.130 159 H TYR 22 H TYR 22 -3.247 14.450 -7.521 160 HA TYR 22 HA TYR 22 -6.050 13.609 -7.029 161 1HB TYR 22 2HB TYR 22 -4.679 16.124 -6.019 162 2HB TYR 22 1HB TYR 22 -6.426 15.857 -5.893 163 HD1 TYR 22 HD1 TYR 22 -3.105 14.777 -4.756 164 HD2 TYR 22 HD2 TYR 22 -7.285 14.043 -4.440 165 HE1 TYR 22 HE1 TYR 22 -2.714 13.297 -2.863 166 HE2 TYR 22 HE2 TYR 22 -6.887 12.579 -2.546 167 HH TYR 22 HH TYR 22 -5.252 11.395 -1.478 168 H ALA 23 H ALA 23 -7.658 15.066 -7.913 169 HA ALA 23 HA ALA 23 -6.824 16.678 -10.243 170 1HB ALA 23 2HB ALA 23 -7.324 14.349 -11.101 171 2HB ALA 23 1HB ALA 23 -8.906 14.419 -10.341 172 3HB ALA 23 3HB ALA 23 -8.523 15.497 -11.670 173 H TRP 24 H TRP 24 -8.557 18.137 -10.818 174 HA TRP 24 HA TRP 24 -9.784 19.627 -8.882 175 1HB TRP 24 2HB TRP 24 -11.202 20.533 -10.588 176 2HB TRP 24 1HB TRP 24 -9.780 19.996 -11.452 177 HD1 TRP 24 HD1 TRP 24 -10.203 17.803 -13.200 178 HE1 TRP 24 HE1 TRP 24 -12.306 16.684 -13.984 179 HE3 TRP 24 HE3 TRP 24 -13.330 19.917 -9.923 180 HZ2 TRP 24 HZ2 TRP 24 -15.019 16.689 -13.259 181 HZ3 TRP 24 HZ3 TRP 24 -15.694 19.354 -9.952 182 HH2 TRP 24 HH2 TRP 24 -16.573 17.726 -11.637 183 H TYR 25 H TYR 25 -11.277 16.804 -10.309 184 HA TYR 25 HA TYR 25 -13.776 16.811 -9.092 185 1HB TYR 25 2HB TYR 25 -14.029 14.637 -9.784 186 2HB TYR 25 1HB TYR 25 -12.725 15.133 -10.828 187 HD1 TYR 25 HD2 TYR 25 -10.568 14.745 -8.313 188 HD2 TYR 25 HD1 TYR 25 -13.531 12.358 -10.222 189 HE1 TYR 25 HE2 TYR 25 -9.400 12.710 -7.605 190 HE2 TYR 25 HE1 TYR 25 -12.348 10.339 -9.517 191 HH TYR 25 HH TYR 25 -10.349 10.117 -7.171 192 H ASN 26 H ASN 26 -10.977 16.602 -7.344 193 HA ASN 26 HA ASN 26 -10.371 15.663 -5.254 194 1HB ASN 26 2HB ASN 26 -11.239 17.990 -4.989 195 2HB ASN 26 1HB ASN 26 -12.839 17.335 -4.670 196 1HD2 ASN 26 2HD2 ASN 26 -12.007 17.171 -1.254 197 2HD2 ASN 26 1HD2 ASN 26 -13.163 17.599 -2.425 198 H GLN 27 H GLN 27 -11.338 13.517 -6.203 199 HA GLN 27 HA GLN 27 -13.164 12.396 -4.112 200 1HB GLN 27 2HB GLN 27 -13.626 12.483 -6.929 201 2HB GLN 27 1HB GLN 27 -13.098 10.843 -6.654 202 1HG GLN 27 2HG GLN 27 -15.466 12.220 -5.367 203 2HG GLN 27 1HG GLN 27 -15.492 10.825 -6.427 204 1HE2 GLN 27 2HE2 GLN 27 -15.575 10.030 -2.622 205 2HE2 GLN 27 1HE2 GLN 27 -16.194 11.419 -3.388 206 H GLN 28 H GLN 28 -11.166 12.139 -3.017 207 HA GLN 28 HA GLN 28 -9.471 10.781 -2.137 208 1HB GLN 28 2HB GLN 28 -10.225 8.792 -4.371 209 2HB GLN 28 1HB GLN 28 -9.298 8.416 -2.950 210 1HG GLN 28 2HG GLN 28 -11.190 8.933 -1.466 211 2HG GLN 28 1HG GLN 28 -12.164 9.417 -2.851 212 1HE2 GLN 28 2HE2 GLN 28 -13.208 6.147 -3.420 213 2HE2 GLN 28 1HE2 GLN 28 -13.478 7.819 -3.620 214 H GLY 29 H GLY 29 -7.485 9.302 -3.367 215 1HA GLY 29 2HA GLY 29 -6.488 11.043 -5.560 216 2HA GLY 29 1HA GLY 29 -5.485 10.844 -4.118 217 H SER 30 H SER 30 -4.788 10.072 -6.775 218 HA SER 30 HA SER 30 -4.597 7.149 -6.381 219 1HB SER 30 2HB SER 30 -4.512 7.138 -9.049 220 2HB SER 30 1HB SER 30 -6.066 7.555 -8.314 221 HG SER 30 HG SER 30 -4.276 9.193 -9.621 222 H CYS 31 H CYS 31 -2.818 6.190 -6.157 223 HA CYS 31 HA CYS 31 -0.300 7.119 -5.948 224 1HB CYS 31 2HB CYS 31 -1.266 4.492 -6.997 225 2HB CYS 31 1HB CYS 31 0.419 4.801 -6.844 226 H GLN 32 H GLN 32 0.784 8.554 -7.389 227 HA GLN 32 HA GLN 32 1.338 7.400 -10.086 228 1HB GLN 32 2HB GLN 32 -0.450 9.427 -9.890 229 2HB GLN 32 1HB GLN 32 1.024 10.227 -9.318 230 1HG GLN 32 2HG GLN 32 0.491 10.947 -11.533 231 2HG GLN 32 1HG GLN 32 2.093 10.272 -11.312 232 1HE2 GLN 32 2HE2 GLN 32 -0.746 8.147 -13.419 233 2HE2 GLN 32 1HE2 GLN 32 -1.234 9.246 -12.222 234 H THR 33 H THR 33 3.378 8.092 -10.921 235 HA THR 33 HA THR 33 5.057 8.232 -8.638 236 HB THR 33 HB THR 33 6.567 8.525 -11.254 237 HG1 THR 33 HG1 THR 33 5.290 7.414 -12.461 238 1HG2 THR 33 3HG2 THR 33 7.119 7.294 -9.152 239 2HG2 THR 33 2HG2 THR 33 5.901 6.112 -9.683 240 3HG2 THR 33 1HG2 THR 33 7.323 6.413 -10.687 241 H THR 34 H THR 34 3.923 10.614 -8.458 242 HA THR 34 HA THR 34 6.218 12.240 -8.823 243 HB THR 34 HB THR 34 5.124 12.444 -11.142 244 HG1 THR 34 HG1 THR 34 5.398 14.570 -11.128 245 1HG2 THR 34 1HG2 THR 34 2.821 11.903 -10.208 246 2HG2 THR 34 3HG2 THR 34 2.760 13.512 -9.512 247 3HG2 THR 34 2HG2 THR 34 2.806 13.308 -11.262 248 H ILE 35 H ILE 35 5.495 14.619 -8.482 249 HA ILE 35 HA ILE 35 4.994 16.280 -6.973 250 HB ILE 35 HB ILE 35 2.538 14.998 -7.156 251 1HG1 ILE 35 2HG1 ILE 35 3.290 16.991 -4.929 252 2HG1 ILE 35 1HG1 ILE 35 3.048 17.438 -6.601 253 1HG2 ILE 35 1HG2 ILE 35 3.149 13.365 -5.321 254 2HG2 ILE 35 3HG2 ILE 35 3.255 14.709 -4.218 255 3HG2 ILE 35 2HG2 ILE 35 1.719 14.287 -4.986 256 1HD1 ILE 35 1HD1 ILE 35 0.683 16.689 -6.487 257 2HD1 ILE 35 3HD1 ILE 35 0.899 16.243 -4.796 258 3HD1 ILE 35 2HD1 ILE 35 1.034 17.920 -5.288 259 H THR 36 H THR 36 4.998 13.012 -5.619 260 HA THR 36 HA THR 36 7.361 13.630 -3.971 261 HB THR 36 HB THR 36 4.968 12.168 -2.692 262 HG1 THR 36 HG1 THR 36 5.369 14.872 -3.256 263 1HG2 THR 36 2HG2 THR 36 7.146 13.975 -1.530 264 2HG2 THR 36 1HG2 THR 36 5.978 13.033 -0.619 265 3HG2 THR 36 3HG2 THR 36 7.241 12.223 -1.532 266 H GLY 37 H GLY 37 6.787 12.347 -6.420 267 1HA GLY 37 2HA GLY 37 7.180 9.462 -5.793 268 2HA GLY 37 1HA GLY 37 6.636 10.103 -7.352 269 H LEU 38 H LEU 38 8.637 12.217 -6.980 270 HA LEU 38 HA LEU 38 10.905 10.721 -8.192 271 1HB LEU 38 2HB LEU 38 9.920 12.369 -9.537 272 2HB LEU 38 1HB LEU 38 9.800 13.505 -8.228 273 HG LEU 38 HG LEU 38 12.355 13.736 -8.248 274 1HD1 LEU 38 1HD1 LEU 38 12.213 11.821 -10.619 275 2HD1 LEU 38 3HD1 LEU 38 13.650 12.640 -10.040 276 3HD1 LEU 38 2HD1 LEU 38 12.880 11.428 -9.045 277 1HD2 LEU 38 2HD2 LEU 38 10.974 15.237 -9.690 278 2HD2 LEU 38 1HD2 LEU 38 12.520 14.888 -10.437 279 3HD2 LEU 38 3HD2 LEU 38 11.072 14.072 -10.999 280 H PHE 39 H PHE 39 10.331 13.465 -6.037 281 HA PHE 39 HA PHE 39 12.798 12.800 -4.502 282 1HB PHE 39 2HB PHE 39 12.365 15.239 -3.631 283 2HB PHE 39 1HB PHE 39 12.943 15.070 -5.282 284 HD1 PHE 39 HD1 PHE 39 11.332 15.274 -7.188 285 HD2 PHE 39 HD2 PHE 39 10.130 16.093 -3.185 286 HE1 PHE 39 HE1 PHE 39 9.312 16.399 -8.020 287 HE2 PHE 39 HE2 PHE 39 8.126 17.218 -4.022 288 HZ PHE 39 HZ PHE 39 7.714 17.379 -6.433 289 H LYS 40 H LYS 40 11.774 11.108 -3.285 290 HA LYS 40 HA LYS 40 9.969 12.119 -1.136 291 1HB LYS 40 2HB LYS 40 8.392 10.354 -1.485 292 2HB LYS 40 1HB LYS 40 8.934 10.658 -3.092 293 1HG LYS 40 2HG LYS 40 9.951 8.392 -1.314 294 2HG LYS 40 1HG LYS 40 8.813 8.236 -2.615 295 1HD LYS 40 2HD LYS 40 11.754 8.961 -2.873 296 2HD LYS 40 1HD LYS 40 10.952 7.510 -3.402 297 1HE LYS 40 2HE LYS 40 9.436 9.120 -4.817 298 2HE LYS 40 1HE LYS 40 10.657 10.319 -4.549 299 1HZ LYS 40 2HZ LYS 40 11.908 7.926 -5.372 300 2HZ LYS 40 1HZ LYS 40 10.692 8.385 -6.477 301 3HZ LYS 40 3HZ LYS 40 11.923 9.466 -6.075 302 H LYS 41 H LYS 41 10.049 10.398 0.702 303 HA LYS 41 HA LYS 41 12.832 9.294 0.860 304 1HB LYS 41 2HB LYS 41 12.274 11.443 2.215 305 2HB LYS 41 1HB LYS 41 11.279 10.470 3.242 306 1HG LYS 41 2HG LYS 41 14.293 10.201 2.676 307 2HG LYS 41 1HG LYS 41 13.619 10.800 4.159 308 1HD LYS 41 2HD LYS 41 13.203 7.886 3.279 309 2HD LYS 41 1HD LYS 41 14.624 8.412 4.120 310 1HE LYS 41 2HE LYS 41 13.022 7.472 5.714 311 2HE LYS 41 1HE LYS 41 13.309 9.172 6.054 312 1HZ LYS 41 2HZ LYS 41 11.205 8.953 4.233 313 2HZ LYS 41 1HZ LYS 41 10.871 7.892 5.461 314 3HZ LYS 41 3HZ LYS 41 11.114 9.540 5.824 315 H CYS 42 H CYS 42 11.689 7.349 -0.005 316 HA CYS 42 HA CYS 42 10.561 5.724 2.198 317 1HB CYS 42 2HB CYS 42 8.726 6.651 0.535 318 2HB CYS 42 1HB CYS 42 9.534 5.693 -0.674 No H/Q in entry = 318 Start of MODEL 12 1 1H CYS 1 3H CYS 1 0.415 0.551 -0.012 2 2H CYS 1 2H CYS 1 1.766 0.076 0.895 3 3H CYS 1 1H CYS 1 1.661 1.670 0.301 4 HA CYS 1 HA CYS 1 2.710 1.082 -1.517 5 1HB CYS 1 2HB CYS 1 3.901 -0.377 -0.350 6 2HB CYS 1 1HB CYS 1 2.615 -1.604 -0.351 7 H ALA 2 H ALA 2 1.067 1.636 -2.980 8 HA ALA 2 HA ALA 2 -0.725 -0.541 -3.992 9 1HB ALA 2 1HB ALA 2 -0.876 2.518 -4.322 10 2HB ALA 2 3HB ALA 2 -2.067 1.382 -4.936 11 3HB ALA 2 2HB ALA 2 -1.854 1.577 -3.204 12 H LYS 3 H LYS 3 -0.871 -0.327 -6.596 13 HA LYS 3 HA LYS 3 1.904 0.398 -7.581 14 1HB LYS 3 2HB LYS 3 0.909 -2.175 -7.420 15 2HB LYS 3 1HB LYS 3 0.364 -1.728 -9.021 16 1HG LYS 3 2HG LYS 3 2.735 -1.052 -9.590 17 2HG LYS 3 1HG LYS 3 3.247 -1.686 -8.036 18 1HD LYS 3 2HD LYS 3 2.161 -3.948 -8.751 19 2HD LYS 3 1HD LYS 3 1.897 -3.220 -10.314 20 1HE LYS 3 2HE LYS 3 3.925 -4.498 -10.490 21 2HE LYS 3 1HE LYS 3 4.376 -2.804 -10.550 22 1HZ LYS 3 1HZ LYS 3 4.323 -3.751 -7.852 23 2HZ LYS 3 3HZ LYS 3 5.306 -4.734 -8.804 24 3HZ LYS 3 2HZ LYS 3 5.626 -3.081 -8.711 25 H LYS 4 H LYS 4 -0.446 1.893 -7.473 26 HA LYS 4 HA LYS 4 -1.400 3.633 -8.669 27 1HB LYS 4 2HB LYS 4 -0.462 2.385 -11.325 28 2HB LYS 4 1HB LYS 4 -1.010 4.023 -11.048 29 1HG LYS 4 2HG LYS 4 1.106 4.288 -9.572 30 2HG LYS 4 1HG LYS 4 1.686 2.850 -10.388 31 1HD LYS 4 2HD LYS 4 1.101 4.029 -12.642 32 2HD LYS 4 1HD LYS 4 0.699 5.446 -11.705 33 1HE LYS 4 2HE LYS 4 2.938 5.754 -12.585 34 2HE LYS 4 1HE LYS 4 3.031 5.586 -10.838 35 1HZ LYS 4 2HZ LYS 4 3.158 3.020 -11.930 36 2HZ LYS 4 1HZ LYS 4 4.232 4.008 -12.825 37 3HZ LYS 4 3HZ LYS 4 4.379 3.896 -11.127 38 H ARG 5 H ARG 5 -3.032 3.531 -10.861 39 HA ARG 5 HA ARG 5 -4.852 2.570 -11.975 40 1HB ARG 5 2HB ARG 5 -3.983 -0.132 -10.784 41 2HB ARG 5 1HB ARG 5 -5.107 0.107 -12.085 42 1HG ARG 5 2HG ARG 5 -2.454 1.379 -12.618 43 2HG ARG 5 1HG ARG 5 -2.359 -0.339 -12.356 44 1HD ARG 5 2HD ARG 5 -2.691 0.079 -14.745 45 2HD ARG 5 1HD ARG 5 -4.117 -0.709 -14.094 46 HE ARG 5 HE ARG 5 -5.155 1.632 -13.985 47 1HH1 ARG 5 1HH2 ARG 5 -3.070 3.361 -14.758 48 2HH1 ARG 5 2HH2 ARG 5 -3.188 3.518 -16.473 49 1HH2 ARG 5 2HH1 ARG 5 -5.131 0.548 -16.659 50 2HH2 ARG 5 1HH1 ARG 5 -4.443 1.756 -17.663 51 H ASN 6 H ASN 6 -4.371 0.920 -8.910 52 HA ASN 6 HA ASN 6 -7.219 1.498 -8.117 53 1HB ASN 6 2HB ASN 6 -5.778 -0.872 -7.716 54 2HB ASN 6 1HB ASN 6 -5.196 0.039 -6.341 55 1HD2 ASN 6 2HD2 ASN 6 -8.350 -0.134 -4.655 56 2HD2 ASN 6 1HD2 ASN 6 -6.847 0.667 -4.647 57 H TRP 7 H TRP 7 -7.361 3.209 -6.559 58 HA TRP 7 HA TRP 7 -4.716 4.524 -6.217 59 1HB TRP 7 2HB TRP 7 -5.998 6.441 -5.425 60 2HB TRP 7 1HB TRP 7 -6.562 5.968 -7.017 61 HD1 TRP 7 HD1 TRP 7 -7.639 4.702 -3.570 62 HE1 TRP 7 HE1 TRP 7 -10.120 4.994 -3.282 63 HE3 TRP 7 HE3 TRP 7 -8.591 6.935 -7.973 64 HZ2 TRP 7 HZ2 TRP 7 -12.155 5.996 -4.683 65 HZ3 TRP 7 HZ3 TRP 7 -10.936 7.567 -8.496 66 HH2 TRP 7 HH2 TRP 7 -12.733 7.087 -6.852 67 H CYS 8 H CYS 8 -4.474 5.630 -4.188 68 HA CYS 8 HA CYS 8 -4.694 3.751 -1.903 69 1HB CYS 8 2HB CYS 8 -2.893 5.575 -1.148 70 2HB CYS 8 1HB CYS 8 -2.471 4.262 -2.207 71 H GLY 9 H GLY 9 -5.980 6.535 -3.226 72 1HA GLY 9 2HA GLY 9 -7.787 7.858 -2.397 73 2HA GLY 9 1HA GLY 9 -7.563 7.118 -0.802 74 H LYS 10 H LYS 10 -5.104 7.485 -0.076 75 HA LYS 10 HA LYS 10 -4.135 10.220 -0.557 76 1HB LYS 10 2HB LYS 10 -5.535 10.318 1.502 77 2HB LYS 10 1HB LYS 10 -4.741 8.901 2.164 78 1HG LYS 10 2HG LYS 10 -2.540 10.187 2.149 79 2HG LYS 10 1HG LYS 10 -3.361 11.612 1.601 80 1HD LYS 10 2HD LYS 10 -3.613 10.097 4.225 81 2HD LYS 10 1HD LYS 10 -2.914 11.642 3.995 82 1HE LYS 10 2HE LYS 10 -5.017 12.709 3.970 83 2HE LYS 10 1HE LYS 10 -5.855 11.332 3.278 84 1HZ LYS 10 3HZ LYS 10 -4.804 10.559 5.763 85 2HZ LYS 10 2HZ LYS 10 -5.706 11.981 6.026 86 3HZ LYS 10 1HZ LYS 10 -6.354 10.577 5.287 87 H ASN 11 H ASN 11 -1.849 10.225 0.031 88 HA ASN 11 HA ASN 11 -0.356 8.140 -0.968 89 1HB ASN 11 2HB ASN 11 0.853 10.115 -0.534 90 2HB ASN 11 1HB ASN 11 0.262 10.267 1.116 91 1HD2 ASN 11 2HD2 ASN 11 3.680 8.192 0.533 92 2HD2 ASN 11 1HD2 ASN 11 2.857 8.686 -0.865 93 H GLU 12 H GLU 12 -1.952 8.190 2.064 94 HA GLU 12 HA GLU 12 -0.891 6.656 3.911 95 1HB GLU 12 2HB GLU 12 -3.629 6.334 2.613 96 2HB GLU 12 1HB GLU 12 -3.213 5.429 4.053 97 1HG GLU 12 2HG GLU 12 -2.664 7.469 5.276 98 2HG GLU 12 1HG GLU 12 -2.839 8.426 3.829 99 H ASP 13 H ASP 13 -2.381 4.661 1.282 100 HA ASP 13 HA ASP 13 -0.476 2.505 2.104 101 1HB ASP 13 2HB ASP 13 -2.112 0.893 1.171 102 2HB ASP 13 1HB ASP 13 -2.970 1.963 2.269 103 H CYS 14 H CYS 14 0.237 4.676 0.209 104 HA CYS 14 HA CYS 14 0.289 3.294 -2.440 105 1HB CYS 14 2HB CYS 14 -0.233 5.657 -2.249 106 2HB CYS 14 1HB CYS 14 1.301 5.967 -1.469 107 H CYS 15 H CYS 15 2.295 3.140 -3.542 108 HA CYS 15 HA CYS 15 4.484 2.186 -1.746 109 1HB CYS 15 2HB CYS 15 3.149 0.699 -3.626 110 2HB CYS 15 1HB CYS 15 4.415 1.341 -4.602 111 H CYS 16 H CYS 16 6.019 3.429 -1.650 112 HA CYS 16 HA CYS 16 6.572 5.695 -3.153 113 1HB CYS 16 2HB CYS 16 8.919 5.496 -2.312 114 2HB CYS 16 1HB CYS 16 7.675 5.398 -1.099 115 HA PRO 17 HA PRO 17 7.893 6.979 -3.777 116 1HB PRO 17 2HB PRO 17 9.132 8.502 -5.543 117 2HB PRO 17 1HB PRO 17 10.110 7.289 -4.677 118 1HG PRO 17 2HG PRO 17 8.804 7.003 -7.462 119 2HG PRO 17 1HG PRO 17 10.486 6.706 -7.011 120 1HD PRO 17 2HD PRO 17 8.600 4.639 -7.006 121 2HD PRO 17 1HD PRO 17 10.008 4.644 -5.932 122 H MET 18 H MET 18 5.801 7.155 -3.779 123 HA MET 18 HA MET 18 4.464 8.335 -6.166 124 1HB MET 18 2HB MET 18 4.607 5.906 -6.252 125 2HB MET 18 1HB MET 18 3.681 5.809 -4.783 126 1HG MET 18 2HG MET 18 1.745 6.262 -5.934 127 2HG MET 18 1HG MET 18 2.503 7.441 -6.889 128 1HE MET 18 3HE MET 18 3.006 4.109 -5.840 129 2HE MET 18 2HE MET 18 2.827 3.006 -7.162 130 3HE MET 18 1HE MET 18 4.356 3.903 -6.931 131 H LYS 19 H LYS 19 2.710 9.389 -5.745 132 HA LYS 19 HA LYS 19 1.992 9.788 -2.820 133 1HB LYS 19 2HB LYS 19 3.216 11.830 -3.873 134 2HB LYS 19 1HB LYS 19 1.914 11.922 -5.017 135 1HG LYS 19 2HG LYS 19 1.287 13.557 -3.436 136 2HG LYS 19 1HG LYS 19 0.276 12.218 -3.027 137 1HD LYS 19 2HD LYS 19 2.041 11.652 -1.172 138 2HD LYS 19 1HD LYS 19 2.764 13.192 -1.563 139 1HE LYS 19 2HE LYS 19 0.666 14.425 -1.089 140 2HE LYS 19 1HE LYS 19 -0.174 12.928 -0.739 141 1HZ LYS 19 2HZ LYS 19 2.109 13.078 0.936 142 2HZ LYS 19 1HZ LYS 19 1.270 14.543 1.033 143 3HZ LYS 19 3HZ LYS 19 0.463 13.098 1.364 144 H CYS 20 H CYS 20 -0.409 10.314 -2.645 145 HA CYS 20 HA CYS 20 -1.743 8.911 -4.885 146 1HB CYS 20 2HB CYS 20 -2.077 8.927 -2.187 147 2HB CYS 20 1HB CYS 20 -3.289 10.118 -2.591 148 H ILE 21 H ILE 21 -2.762 10.143 -6.434 149 HA ILE 21 HA ILE 21 -2.410 13.079 -6.347 150 HB ILE 21 HB ILE 21 -3.202 11.292 -8.687 151 1HG1 ILE 21 2HG1 ILE 21 -1.012 10.544 -8.062 152 2HG1 ILE 21 1HG1 ILE 21 -0.890 11.563 -9.497 153 1HG2 ILE 21 2HG2 ILE 21 -2.075 14.094 -8.671 154 2HG2 ILE 21 1HG2 ILE 21 -2.348 13.107 -10.098 155 3HG2 ILE 21 3HG2 ILE 21 -3.716 13.622 -9.144 156 1HD1 ILE 21 2HD1 ILE 21 -0.114 13.448 -8.063 157 2HD1 ILE 21 1HD1 ILE 21 -0.249 12.354 -6.691 158 3HD1 ILE 21 3HD1 ILE 21 0.930 12.034 -7.919 159 H TYR 22 H TYR 22 -4.102 14.275 -7.349 160 HA TYR 22 HA TYR 22 -6.850 13.254 -6.749 161 1HB TYR 22 2HB TYR 22 -5.508 15.890 -6.011 162 2HB TYR 22 1HB TYR 22 -7.236 15.584 -5.780 163 HD1 TYR 22 HD1 TYR 22 -7.939 13.689 -4.251 164 HD2 TYR 22 HD2 TYR 22 -3.858 14.831 -4.586 165 HE1 TYR 22 HE1 TYR 22 -7.424 12.437 -2.239 166 HE2 TYR 22 HE2 TYR 22 -3.351 13.553 -2.549 167 HH TYR 22 HH TYR 22 -5.620 11.411 -1.201 168 H ALA 23 H ALA 23 -5.447 16.150 -8.169 169 HA ALA 23 HA ALA 23 -5.501 17.030 -10.336 170 1HB ALA 23 1HB ALA 23 -5.982 14.730 -11.321 171 2HB ALA 23 3HB ALA 23 -7.695 14.941 -10.995 172 3HB ALA 23 2HB ALA 23 -6.879 15.977 -12.147 173 H TRP 24 H TRP 24 -8.286 17.141 -11.622 174 HA TRP 24 HA TRP 24 -9.200 19.523 -10.181 175 1HB TRP 24 2HB TRP 24 -10.870 19.669 -11.963 176 2HB TRP 24 1HB TRP 24 -9.387 19.151 -12.748 177 HD1 TRP 24 HD1 TRP 24 -9.474 16.567 -13.837 178 HE1 TRP 24 HE1 TRP 24 -11.307 14.869 -14.038 179 HE3 TRP 24 HE3 TRP 24 -12.808 18.818 -10.858 180 HZ2 TRP 24 HZ2 TRP 24 -13.902 14.522 -13.039 181 HZ3 TRP 24 HZ3 TRP 24 -14.965 17.800 -10.462 182 HH2 TRP 24 HH2 TRP 24 -15.550 15.619 -11.561 183 H TYR 25 H TYR 25 -9.902 16.202 -10.251 184 HA TYR 25 HA TYR 25 -12.432 15.957 -9.212 185 1HB TYR 25 2HB TYR 25 -9.967 14.282 -9.150 186 2HB TYR 25 1HB TYR 25 -11.063 13.914 -7.838 187 HD1 TYR 25 HD1 TYR 25 -13.570 13.712 -8.430 188 HD2 TYR 25 HD2 TYR 25 -10.470 13.392 -11.340 189 HE1 TYR 25 HE1 TYR 25 -15.105 12.585 -9.910 190 HE2 TYR 25 HE2 TYR 25 -12.017 12.254 -12.832 191 HH TYR 25 HH TYR 25 -14.095 11.189 -12.998 192 H ASN 26 H ASN 26 -13.322 15.498 -7.227 193 HA ASN 26 HA ASN 26 -12.086 16.915 -4.904 194 1HB ASN 26 2HB ASN 26 -14.189 17.941 -6.095 195 2HB ASN 26 1HB ASN 26 -15.055 16.574 -5.404 196 1HD2 ASN 26 2HD2 ASN 26 -14.594 19.619 -2.960 197 2HD2 ASN 26 1HD2 ASN 26 -14.695 19.748 -4.653 198 H GLN 27 H GLN 27 -11.404 15.320 -3.667 199 HA GLN 27 HA GLN 27 -11.546 13.658 -1.998 200 1HB GLN 27 2HB GLN 27 -14.108 13.909 -1.976 201 2HB GLN 27 1HB GLN 27 -14.196 12.784 -3.321 202 1HG GLN 27 2HG GLN 27 -13.111 11.006 -1.920 203 2HG GLN 27 1HG GLN 27 -13.168 12.096 -0.547 204 1HE2 GLN 27 2HE2 GLN 27 -16.987 11.798 -1.197 205 2HE2 GLN 27 1HE2 GLN 27 -15.972 13.040 -1.763 206 H GLN 28 H GLN 28 -11.113 11.330 -2.072 207 HA GLN 28 HA GLN 28 -10.348 9.326 -2.972 208 1HB GLN 28 2HB GLN 28 -10.924 10.403 -5.787 209 2HB GLN 28 1HB GLN 28 -10.741 8.739 -5.312 210 1HG GLN 28 2HG GLN 28 -13.120 10.548 -4.707 211 2HG GLN 28 1HG GLN 28 -13.111 9.107 -5.695 212 1HE2 GLN 28 2HE2 GLN 28 -14.405 8.450 -2.169 213 2HE2 GLN 28 1HE2 GLN 28 -14.743 9.708 -3.251 214 H GLY 29 H GLY 29 -8.523 8.567 -4.380 215 1HA GLY 29 2HA GLY 29 -6.595 10.748 -4.955 216 2HA GLY 29 1HA GLY 29 -6.093 9.452 -3.909 217 H SER 30 H SER 30 -4.445 8.750 -5.163 218 HA SER 30 HA SER 30 -4.642 6.661 -6.923 219 1HB SER 30 2HB SER 30 -5.736 7.957 -8.672 220 2HB SER 30 1HB SER 30 -4.524 9.253 -8.573 221 HG SER 30 HG SER 30 -4.466 7.034 -9.991 222 H CYS 31 H CYS 31 -2.905 5.871 -6.289 223 HA CYS 31 HA CYS 31 -0.470 7.093 -5.564 224 1HB CYS 31 2HB CYS 31 -1.524 4.691 -5.130 225 2HB CYS 31 1HB CYS 31 -0.885 4.313 -6.682 226 H GLN 32 H GLN 32 0.315 8.581 -7.215 227 HA GLN 32 HA GLN 32 1.044 7.199 -9.770 228 1HB GLN 32 2HB GLN 32 0.375 10.117 -9.537 229 2HB GLN 32 1HB GLN 32 0.689 9.246 -10.997 230 1HG GLN 32 2HG GLN 32 -1.601 8.129 -9.459 231 2HG GLN 32 1HG GLN 32 -1.886 9.692 -10.161 232 1HE2 GLN 32 2HE2 GLN 32 -2.459 8.335 -13.297 233 2HE2 GLN 32 1HE2 GLN 32 -2.753 9.544 -12.136 234 H THR 33 H THR 33 3.002 7.937 -10.613 235 HA THR 33 HA THR 33 4.625 8.667 -8.396 236 HB THR 33 HB THR 33 6.199 8.668 -10.875 237 HG1 THR 33 HG1 THR 33 5.022 7.604 -12.151 238 1HG2 THR 33 2HG2 THR 33 5.522 6.578 -8.832 239 2HG2 THR 33 1HG2 THR 33 6.871 6.509 -9.997 240 3HG2 THR 33 3HG2 THR 33 6.788 7.804 -8.825 241 H THR 34 H THR 34 3.292 10.777 -8.407 242 HA THR 34 HA THR 34 5.286 12.621 -9.195 243 HB THR 34 HB THR 34 3.759 12.493 -11.316 244 HG1 THR 34 HG1 THR 34 3.903 14.627 -11.457 245 1HG2 THR 34 1HG2 THR 34 1.722 11.826 -9.949 246 2HG2 THR 34 3HG2 THR 34 1.651 13.483 -9.363 247 3HG2 THR 34 2HG2 THR 34 1.388 13.139 -11.065 248 H ILE 35 H ILE 35 4.955 14.752 -8.815 249 HA ILE 35 HA ILE 35 4.751 16.547 -7.406 250 HB ILE 35 HB ILE 35 2.190 15.530 -7.258 251 1HG1 ILE 35 2HG1 ILE 35 3.434 17.609 -5.362 252 2HG1 ILE 35 1HG1 ILE 35 2.899 17.919 -6.998 253 1HG2 ILE 35 3HG2 ILE 35 2.775 13.948 -5.292 254 2HG2 ILE 35 2HG2 ILE 35 3.177 15.390 -4.388 255 3HG2 ILE 35 1HG2 ILE 35 1.532 15.095 -4.943 256 1HD1 ILE 35 2HD1 ILE 35 0.555 17.384 -6.373 257 2HD1 ILE 35 1HD1 ILE 35 1.056 17.109 -4.711 258 3HD1 ILE 35 3HD1 ILE 35 1.211 18.699 -5.414 259 H THR 36 H THR 36 4.429 13.427 -5.813 260 HA THR 36 HA THR 36 6.965 13.968 -4.295 261 HB THR 36 HB THR 36 4.758 12.375 -2.827 262 HG1 THR 36 HG1 THR 36 3.675 14.305 -3.031 263 1HG2 THR 36 1HG2 THR 36 6.928 14.300 -1.915 264 2HG2 THR 36 3HG2 THR 36 5.947 13.290 -0.866 265 3HG2 THR 36 2HG2 THR 36 7.113 12.555 -1.952 266 H GLY 37 H GLY 37 6.246 12.538 -6.731 267 1HA GLY 37 2HA GLY 37 6.654 9.709 -5.864 268 2HA GLY 37 1HA GLY 37 5.997 10.194 -7.428 269 H LEU 38 H LEU 38 8.636 11.703 -5.977 270 HA LEU 38 HA LEU 38 10.539 10.259 -7.782 271 1HB LEU 38 2HB LEU 38 9.729 12.122 -9.030 272 2HB LEU 38 1HB LEU 38 9.952 13.221 -7.713 273 HG LEU 38 HG LEU 38 12.263 11.714 -9.152 274 1HD1 LEU 38 1HD1 LEU 38 11.185 14.507 -9.780 275 2HD1 LEU 38 3HD1 LEU 38 12.597 13.767 -10.518 276 3HD1 LEU 38 2HD1 LEU 38 11.009 13.091 -10.803 277 1HD2 LEU 38 1HD2 LEU 38 12.376 14.356 -7.595 278 2HD2 LEU 38 3HD2 LEU 38 12.984 12.829 -6.981 279 3HD2 LEU 38 2HD2 LEU 38 13.725 13.559 -8.374 280 H PHE 39 H PHE 39 10.435 12.852 -5.383 281 HA PHE 39 HA PHE 39 13.059 11.927 -4.341 282 1HB PHE 39 2HB PHE 39 13.003 14.165 -3.113 283 2HB PHE 39 1HB PHE 39 12.999 14.318 -4.857 284 HD1 PHE 39 HD1 PHE 39 10.736 14.677 -6.035 285 HD2 PHE 39 HD2 PHE 39 11.205 15.061 -1.816 286 HE1 PHE 39 HE1 PHE 39 8.630 15.919 -5.910 287 HE2 PHE 39 HE2 PHE 39 9.100 16.318 -1.706 288 HZ PHE 39 HZ PHE 39 7.809 16.744 -3.761 289 H LYS 40 H LYS 40 11.279 10.133 -3.744 290 HA LYS 40 HA LYS 40 10.344 10.751 -0.970 291 1HB LYS 40 2HB LYS 40 8.512 9.808 -2.373 292 2HB LYS 40 1HB LYS 40 9.554 8.490 -2.874 293 1HG LYS 40 2HG LYS 40 8.032 7.697 -1.087 294 2HG LYS 40 1HG LYS 40 9.699 7.624 -0.596 295 1HD LYS 40 2HD LYS 40 9.187 9.998 0.542 296 2HD LYS 40 1HD LYS 40 7.507 9.523 0.327 297 1HE LYS 40 2HE LYS 40 8.069 7.353 1.598 298 2HE LYS 40 1HE LYS 40 9.679 7.996 1.872 299 1HZ LYS 40 1HZ LYS 40 7.816 9.942 2.699 300 2HZ LYS 40 3HZ LYS 40 7.357 8.433 3.335 301 3HZ LYS 40 2HZ LYS 40 8.906 9.055 3.656 302 H LYS 41 H LYS 41 12.110 10.425 0.210 303 HA LYS 41 HA LYS 41 14.003 8.260 -0.345 304 1HB LYS 41 2HB LYS 41 14.674 10.455 0.771 305 2HB LYS 41 1HB LYS 41 13.760 9.954 2.197 306 1HG LYS 41 2HG LYS 41 15.126 7.801 2.259 307 2HG LYS 41 1HG LYS 41 16.117 8.418 0.963 308 1HD LYS 41 2HD LYS 41 15.769 9.700 3.699 309 2HD LYS 41 1HD LYS 41 17.120 8.684 3.222 310 1HE LYS 41 2HE LYS 41 17.680 10.331 1.390 311 2HE LYS 41 1HE LYS 41 16.386 11.372 1.962 312 1HZ LYS 41 2HZ LYS 41 17.980 10.679 4.173 313 2HZ LYS 41 1HZ LYS 41 19.007 11.197 2.935 314 3HZ LYS 41 3HZ LYS 41 17.758 12.207 3.469 315 H CYS 42 H CYS 42 12.642 6.591 -0.386 316 HA CYS 42 HA CYS 42 11.658 5.461 2.190 317 1HB CYS 42 2HB CYS 42 9.827 6.146 0.702 318 2HB CYS 42 1HB CYS 42 10.584 5.342 -0.642 No H/Q in entry = 318 Start of MODEL 13 1 1H CYS 1 3H CYS 1 1.145 -1.508 0.024 2 2H CYS 1 2H CYS 1 2.664 -2.168 0.367 3 3H CYS 1 1H CYS 1 2.432 -0.494 0.285 4 HA CYS 1 HA CYS 1 2.983 -0.546 -1.869 5 1HB CYS 1 2HB CYS 1 4.312 -2.410 -1.621 6 2HB CYS 1 1HB CYS 1 2.926 -3.489 -1.484 7 H ALA 2 H ALA 2 1.646 0.076 -3.457 8 HA ALA 2 HA ALA 2 -0.771 -1.492 -4.192 9 1HB ALA 2 3HB ALA 2 -1.493 0.500 -2.762 10 2HB ALA 2 2HB ALA 2 -0.666 1.569 -3.874 11 3HB ALA 2 1HB ALA 2 -2.056 0.661 -4.414 12 H LYS 3 H LYS 3 -1.516 -0.217 -6.480 13 HA LYS 3 HA LYS 3 0.996 0.399 -7.962 14 1HB LYS 3 2HB LYS 3 0.201 -0.993 -9.866 15 2HB LYS 3 1HB LYS 3 0.457 -1.953 -8.420 16 1HG LYS 3 2HG LYS 3 -2.059 -1.838 -7.967 17 2HG LYS 3 1HG LYS 3 -2.256 -0.885 -9.420 18 1HD LYS 3 2HD LYS 3 -2.868 -3.218 -9.809 19 2HD LYS 3 1HD LYS 3 -1.496 -2.768 -10.813 20 1HE LYS 3 2HE LYS 3 0.039 -3.867 -9.129 21 2HE LYS 3 1HE LYS 3 -1.360 -4.275 -8.150 22 1HZ LYS 3 3HZ LYS 3 -1.839 -5.176 -10.766 23 2HZ LYS 3 2HZ LYS 3 -0.279 -5.683 -10.336 24 3HZ LYS 3 1HZ LYS 3 -1.597 -6.115 -9.373 25 H LYS 4 H LYS 4 0.593 1.590 -9.936 26 HA LYS 4 HA LYS 4 -1.382 3.612 -9.464 27 1HB LYS 4 2HB LYS 4 -0.901 4.474 -11.647 28 2HB LYS 4 1HB LYS 4 0.606 4.160 -10.804 29 1HG LYS 4 2HG LYS 4 0.906 2.040 -12.102 30 2HG LYS 4 1HG LYS 4 -0.586 2.316 -12.955 31 1HD LYS 4 2HD LYS 4 1.752 4.261 -13.114 32 2HD LYS 4 1HD LYS 4 1.550 2.914 -14.203 33 1HE LYS 4 2HE LYS 4 0.688 4.887 -15.279 34 2HE LYS 4 1HE LYS 4 -0.672 3.835 -14.944 35 1HZ LYS 4 1HZ LYS 4 -0.200 5.656 -12.753 36 2HZ LYS 4 3HZ LYS 4 -0.319 6.511 -14.113 37 3HZ LYS 4 2HZ LYS 4 -1.603 5.474 -13.711 38 H ARG 5 H ARG 5 -3.503 3.570 -10.262 39 HA ARG 5 HA ARG 5 -5.082 2.909 -12.159 40 1HB ARG 5 2HB ARG 5 -4.062 0.720 -12.781 41 2HB ARG 5 1HB ARG 5 -4.219 0.140 -11.133 42 1HG ARG 5 2HG ARG 5 -6.595 -0.052 -11.270 43 2HG ARG 5 1HG ARG 5 -6.711 0.996 -12.663 44 1HD ARG 5 2HD ARG 5 -5.192 -1.641 -12.851 45 2HD ARG 5 1HD ARG 5 -6.942 -1.618 -12.988 46 HE ARG 5 HE ARG 5 -5.193 0.061 -14.784 47 1HH1 ARG 5 1HH2 ARG 5 -8.160 0.195 -14.631 48 2HH1 ARG 5 2HH2 ARG 5 -8.729 -0.770 -15.939 49 1HH2 ARG 5 2HH1 ARG 5 -5.426 -2.196 -16.215 50 2HH2 ARG 5 1HH1 ARG 5 -6.980 -2.285 -16.946 51 H ASN 6 H ASN 6 -4.361 1.678 -8.962 52 HA ASN 6 HA ASN 6 -7.195 2.323 -8.042 53 1HB ASN 6 2HB ASN 6 -6.174 -0.191 -7.732 54 2HB ASN 6 1HB ASN 6 -5.226 0.590 -6.472 55 1HD2 ASN 6 2HD2 ASN 6 -8.074 1.102 -4.395 56 2HD2 ASN 6 1HD2 ASN 6 -6.452 1.525 -4.584 57 H TRP 7 H TRP 7 -7.195 3.171 -5.917 58 HA TRP 7 HA TRP 7 -4.716 4.772 -5.576 59 1HB TRP 7 2HB TRP 7 -6.055 6.598 -5.009 60 2HB TRP 7 1HB TRP 7 -6.608 6.011 -6.571 61 HD1 TRP 7 HD1 TRP 7 -7.749 5.068 -3.103 62 HE1 TRP 7 HE1 TRP 7 -10.212 5.660 -2.848 63 HE3 TRP 7 HE3 TRP 7 -8.383 6.837 -7.632 64 HZ2 TRP 7 HZ2 TRP 7 -12.201 6.689 -4.498 65 HZ3 TRP 7 HZ3 TRP 7 -10.630 7.639 -8.374 66 HH2 TRP 7 HH2 TRP 7 -12.528 7.566 -6.802 67 H CYS 8 H CYS 8 -4.640 5.962 -3.711 68 HA CYS 8 HA CYS 8 -4.911 4.284 -1.276 69 1HB CYS 8 2HB CYS 8 -3.046 6.123 -0.676 70 2HB CYS 8 1HB CYS 8 -2.643 4.706 -1.597 71 H GLY 9 H GLY 9 -6.037 7.037 -2.890 72 1HA GLY 9 2HA GLY 9 -7.876 8.429 -2.206 73 2HA GLY 9 1HA GLY 9 -7.698 7.820 -0.562 74 H LYS 10 H LYS 10 -5.227 8.162 -0.013 75 HA LYS 10 HA LYS 10 -4.123 10.829 -0.455 76 1HB LYS 10 2HB LYS 10 -4.122 11.196 2.083 77 2HB LYS 10 1HB LYS 10 -5.776 11.040 1.506 78 1HG LYS 10 2HG LYS 10 -5.554 8.451 1.993 79 2HG LYS 10 1HG LYS 10 -4.028 8.807 2.726 80 1HD LYS 10 2HD LYS 10 -5.617 8.508 4.394 81 2HD LYS 10 1HD LYS 10 -5.041 10.166 4.398 82 1HE LYS 10 2HE LYS 10 -7.162 10.898 3.201 83 2HE LYS 10 1HE LYS 10 -7.652 9.223 3.022 84 1HZ LYS 10 2HZ LYS 10 -7.215 9.687 5.741 85 2HZ LYS 10 1HZ LYS 10 -8.172 10.978 5.167 86 3HZ LYS 10 3HZ LYS 10 -8.691 9.377 4.951 87 H ASN 11 H ASN 11 -2.006 10.825 0.356 88 HA ASN 11 HA ASN 11 -0.301 8.993 -0.512 89 1HB ASN 11 2HB ASN 11 0.045 11.077 1.240 90 2HB ASN 11 1HB ASN 11 0.519 9.715 2.254 91 1HD2 ASN 11 2HD2 ASN 11 3.146 8.775 -0.185 92 2HD2 ASN 11 1HD2 ASN 11 1.883 7.984 0.635 93 H GLU 12 H GLU 12 -2.173 8.181 2.288 94 HA GLU 12 HA GLU 12 -1.550 6.428 3.924 95 1HB GLU 12 2HB GLU 12 -3.735 6.476 2.479 96 2HB GLU 12 1HB GLU 12 -3.045 5.190 1.548 97 1HG GLU 12 2HG GLU 12 -3.026 3.695 3.495 98 2HG GLU 12 1HG GLU 12 -3.478 5.016 4.562 99 H ASP 13 H ASP 13 -1.689 3.933 1.632 100 HA ASP 13 HA ASP 13 1.265 3.453 1.821 101 1HB ASP 13 2HB ASP 13 0.321 1.745 3.291 102 2HB ASP 13 1HB ASP 13 -1.035 1.452 2.213 103 H CYS 14 H CYS 14 2.201 2.616 0.063 104 HA CYS 14 HA CYS 14 0.881 1.738 -2.396 105 1HB CYS 14 2HB CYS 14 1.712 4.561 -2.062 106 2HB CYS 14 1HB CYS 14 2.350 3.726 -3.473 107 H CYS 15 H CYS 15 2.649 1.568 -4.047 108 HA CYS 15 HA CYS 15 4.940 0.261 -2.668 109 1HB CYS 15 2HB CYS 15 3.214 -0.508 -4.639 110 2HB CYS 15 1HB CYS 15 4.501 0.075 -5.587 111 H CYS 16 H CYS 16 5.962 2.115 -2.129 112 HA CYS 16 HA CYS 16 6.483 4.414 -3.386 113 1HB CYS 16 2HB CYS 16 8.431 2.675 -1.895 114 2HB CYS 16 1HB CYS 16 8.730 4.343 -2.285 115 HA PRO 17 HA PRO 17 7.834 5.916 -3.797 116 1HB PRO 17 2HB PRO 17 8.357 7.651 -5.697 117 2HB PRO 17 1HB PRO 17 9.689 6.646 -5.090 118 1HG PRO 17 2HG PRO 17 7.892 6.098 -7.515 119 2HG PRO 17 1HG PRO 17 9.654 6.189 -7.541 120 1HD PRO 17 2HD PRO 17 8.276 3.805 -7.247 121 2HD PRO 17 1HD PRO 17 9.843 4.028 -6.442 122 H MET 18 H MET 18 6.057 7.121 -3.798 123 HA MET 18 HA MET 18 3.926 7.194 -5.764 124 1HB MET 18 2HB MET 18 3.809 4.932 -4.376 125 2HB MET 18 1HB MET 18 3.000 5.984 -3.217 126 1HG MET 18 2HG MET 18 1.416 5.066 -4.888 127 2HG MET 18 1HG MET 18 1.431 6.770 -4.989 128 1HE MET 18 1HE MET 18 2.831 3.665 -5.764 129 2HE MET 18 3HE MET 18 2.335 3.391 -7.414 130 3HE MET 18 2HE MET 18 3.999 3.934 -7.030 131 H LYS 19 H LYS 19 2.180 8.341 -5.176 132 HA LYS 19 HA LYS 19 2.156 9.914 -2.752 133 1HB LYS 19 2HB LYS 19 3.673 11.198 -4.379 134 2HB LYS 19 1HB LYS 19 2.426 11.089 -5.592 135 1HG LYS 19 2HG LYS 19 2.402 13.328 -4.495 136 2HG LYS 19 1HG LYS 19 0.910 12.476 -4.167 137 1HD LYS 19 2HD LYS 19 1.658 11.780 -2.011 138 2HD LYS 19 1HD LYS 19 3.307 12.305 -2.306 139 1HE LYS 19 2HE LYS 19 2.689 14.620 -2.110 140 2HE LYS 19 1HE LYS 19 0.976 14.253 -2.270 141 1HZ LYS 19 3HZ LYS 19 2.018 12.699 -0.195 142 2HZ LYS 19 2HZ LYS 19 2.555 14.277 0.085 143 3HZ LYS 19 1HZ LYS 19 0.889 13.973 -0.088 144 H CYS 20 H CYS 20 -0.338 10.716 -2.652 145 HA CYS 20 HA CYS 20 -1.801 9.010 -4.583 146 1HB CYS 20 2HB CYS 20 -2.039 9.327 -1.873 147 2HB CYS 20 1HB CYS 20 -3.211 10.520 -2.447 148 H ILE 21 H ILE 21 -2.570 10.120 -6.197 149 HA ILE 21 HA ILE 21 -2.240 13.060 -6.316 150 HB ILE 21 HB ILE 21 -2.648 10.987 -8.490 151 1HG1 ILE 21 2HG1 ILE 21 -0.614 10.328 -7.253 152 2HG1 ILE 21 1HG1 ILE 21 -0.080 11.155 -8.709 153 1HG2 ILE 21 1HG2 ILE 21 -1.515 13.795 -8.676 154 2HG2 ILE 21 3HG2 ILE 21 -1.548 12.610 -9.968 155 3HG2 ILE 21 2HG2 ILE 21 -3.048 13.233 -9.326 156 1HD1 ILE 21 1HD1 ILE 21 0.089 13.109 -7.587 157 2HD1 ILE 21 3HD1 ILE 21 -0.242 12.448 -6.001 158 3HD1 ILE 21 2HD1 ILE 21 1.203 11.960 -6.887 159 H TYR 22 H TYR 22 -3.768 14.312 -7.524 160 HA TYR 22 HA TYR 22 -6.569 13.350 -7.297 161 1HB TYR 22 2HB TYR 22 -5.473 16.085 -6.494 162 2HB TYR 22 1HB TYR 22 -7.124 15.518 -6.222 163 HD1 TYR 22 HD1 TYR 22 -7.512 13.691 -4.482 164 HD2 TYR 22 HD2 TYR 22 -3.660 15.308 -5.192 165 HE1 TYR 22 HE1 TYR 22 -6.688 12.600 -2.454 166 HE2 TYR 22 HE2 TYR 22 -2.821 14.238 -3.189 167 HH TYR 22 HH TYR 22 -3.852 13.552 -1.016 168 H ALA 23 H ALA 23 -8.005 14.529 -8.648 169 HA ALA 23 HA ALA 23 -6.888 16.023 -10.947 170 1HB ALA 23 2HB ALA 23 -7.235 13.571 -11.646 171 2HB ALA 23 1HB ALA 23 -8.907 13.701 -11.120 172 3HB ALA 23 3HB ALA 23 -8.344 14.648 -12.479 173 H TRP 24 H TRP 24 -9.041 16.901 -12.142 174 HA TRP 24 HA TRP 24 -10.401 18.504 -10.210 175 1HB TRP 24 2HB TRP 24 -10.747 19.509 -12.350 176 2HB TRP 24 1HB TRP 24 -10.771 17.956 -13.182 177 HD1 TRP 24 HD1 TRP 24 -13.130 17.592 -14.226 178 HE1 TRP 24 HE1 TRP 24 -15.505 17.896 -13.517 179 HE3 TRP 24 HE3 TRP 24 -12.304 19.811 -9.742 180 HZ2 TRP 24 HZ2 TRP 24 -16.868 18.891 -11.384 181 HZ3 TRP 24 HZ3 TRP 24 -14.256 20.423 -8.360 182 HH2 TRP 24 HH2 TRP 24 -16.543 19.968 -9.184 183 H TYR 25 H TYR 25 -11.805 17.766 -8.736 184 HA TYR 25 HA TYR 25 -14.125 16.306 -9.157 185 1HB TYR 25 2HB TYR 25 -11.808 14.527 -9.192 186 2HB TYR 25 1HB TYR 25 -12.662 14.213 -7.694 187 HD1 TYR 25 HD1 TYR 25 -15.326 14.143 -7.941 188 HD2 TYR 25 HD2 TYR 25 -12.574 13.432 -11.114 189 HE1 TYR 25 HE1 TYR 25 -17.041 12.904 -9.165 190 HE2 TYR 25 HE2 TYR 25 -14.283 12.193 -12.331 191 HH TYR 25 HH TYR 25 -16.577 11.740 -12.422 192 H ASN 26 H ASN 26 -11.460 16.347 -6.878 193 HA ASN 26 HA ASN 26 -12.165 17.991 -4.872 194 1HB ASN 26 2HB ASN 26 -14.407 17.104 -4.438 195 2HB ASN 26 1HB ASN 26 -13.871 15.448 -4.570 196 1HD2 ASN 26 2HD2 ASN 26 -13.304 17.315 -0.986 197 2HD2 ASN 26 1HD2 ASN 26 -13.614 18.321 -2.327 198 H GLN 27 H GLN 27 -12.032 14.711 -3.577 199 HA GLN 27 HA GLN 27 -9.079 14.918 -3.402 200 1HB GLN 27 2HB GLN 27 -11.067 14.531 -1.139 201 2HB GLN 27 1HB GLN 27 -9.372 14.132 -0.968 202 1HG GLN 27 2HG GLN 27 -8.699 16.454 -1.425 203 2HG GLN 27 1HG GLN 27 -10.347 16.890 -1.851 204 1HE2 GLN 27 2HE2 GLN 27 -9.330 16.831 2.031 205 2HE2 GLN 27 1HE2 GLN 27 -8.157 16.486 0.846 206 H GLN 28 H GLN 28 -9.898 13.242 -5.258 207 HA GLN 28 HA GLN 28 -10.097 10.527 -4.023 208 1HB GLN 28 2HB GLN 28 -9.900 11.362 -6.985 209 2HB GLN 28 1HB GLN 28 -10.113 9.725 -6.435 210 1HG GLN 28 2HG GLN 28 -12.342 10.198 -5.592 211 2HG GLN 28 1HG GLN 28 -12.173 11.907 -5.999 212 1HE2 GLN 28 2HE2 GLN 28 -13.517 11.132 -9.180 213 2HE2 GLN 28 1HE2 GLN 28 -13.648 12.082 -7.784 214 H GLY 29 H GLY 29 -8.222 9.241 -3.960 215 1HA GLY 29 2HA GLY 29 -5.767 10.767 -4.750 216 2HA GLY 29 1HA GLY 29 -5.817 9.454 -3.613 217 H SER 30 H SER 30 -3.936 8.849 -5.262 218 HA SER 30 HA SER 30 -4.824 6.546 -6.713 219 1HB SER 30 2HB SER 30 -4.640 7.233 -9.032 220 2HB SER 30 1HB SER 30 -5.527 8.577 -8.321 221 HG SER 30 HG SER 30 -2.810 8.850 -8.057 222 H CYS 31 H CYS 31 -3.136 5.174 -6.861 223 HA CYS 31 HA CYS 31 -0.649 5.969 -5.672 224 1HB CYS 31 2HB CYS 31 -1.954 3.624 -5.963 225 2HB CYS 31 1HB CYS 31 -0.993 3.520 -7.399 226 H GLN 32 H GLN 32 -0.105 7.828 -6.969 227 HA GLN 32 HA GLN 32 1.272 7.233 -9.536 228 1HB GLN 32 2HB GLN 32 -0.960 7.981 -10.003 229 2HB GLN 32 1HB GLN 32 -0.824 9.381 -9.046 230 1HG GLN 32 2HG GLN 32 0.019 10.473 -10.923 231 2HG GLN 32 1HG GLN 32 1.376 9.370 -10.990 232 1HE2 GLN 32 2HE2 GLN 32 -1.516 9.121 -13.763 233 2HE2 GLN 32 1HE2 GLN 32 -1.381 10.383 -12.642 234 H THR 33 H THR 33 3.268 7.447 -8.993 235 HA THR 33 HA THR 33 4.106 9.015 -6.764 236 HB THR 33 HB THR 33 4.960 6.875 -7.316 237 HG1 THR 33 HG1 THR 33 7.079 8.778 -7.484 238 1HG2 THR 33 3HG2 THR 33 5.202 6.984 -9.713 239 2HG2 THR 33 2HG2 THR 33 6.527 8.141 -9.522 240 3HG2 THR 33 1HG2 THR 33 6.663 6.507 -8.894 241 H THR 34 H THR 34 3.169 11.020 -8.170 242 HA THR 34 HA THR 34 5.568 12.500 -9.128 243 HB THR 34 HB THR 34 4.300 11.670 -11.192 244 HG1 THR 34 HG1 THR 34 3.630 13.936 -11.827 245 1HG2 THR 34 3HG2 THR 34 2.019 13.254 -9.857 246 2HG2 THR 34 2HG2 THR 34 1.919 12.423 -11.408 247 3HG2 THR 34 1HG2 THR 34 2.110 11.511 -9.921 248 H ILE 35 H ILE 35 5.030 14.674 -9.600 249 HA ILE 35 HA ILE 35 4.546 16.843 -8.933 250 HB ILE 35 HB ILE 35 2.123 15.663 -8.310 251 1HG1 ILE 35 2HG1 ILE 35 3.010 18.378 -7.174 252 2HG1 ILE 35 1HG1 ILE 35 2.639 18.102 -8.859 253 1HG2 ILE 35 2HG2 ILE 35 2.810 14.869 -5.964 254 2HG2 ILE 35 1HG2 ILE 35 3.112 16.517 -5.548 255 3HG2 ILE 35 3HG2 ILE 35 1.499 15.973 -5.945 256 1HD1 ILE 35 2HD1 ILE 35 0.306 17.443 -8.243 257 2HD1 ILE 35 1HD1 ILE 35 0.666 17.782 -6.554 258 3HD1 ILE 35 3HD1 ILE 35 0.698 19.074 -7.732 259 H THR 36 H THR 36 4.550 14.489 -6.383 260 HA THR 36 HA THR 36 7.089 15.564 -5.274 261 HB THR 36 HB THR 36 6.069 15.337 -2.894 262 HG1 THR 36 HG1 THR 36 4.095 14.423 -4.433 263 1HG2 THR 36 2HG2 THR 36 4.656 17.387 -4.714 264 2HG2 THR 36 1HG2 THR 36 4.775 17.462 -2.966 265 3HG2 THR 36 3HG2 THR 36 6.203 17.627 -3.968 266 H GLY 37 H GLY 37 6.157 13.151 -6.831 267 1HA GLY 37 2HA GLY 37 6.693 10.996 -4.848 268 2HA GLY 37 1HA GLY 37 6.036 10.790 -6.467 269 H LEU 38 H LEU 38 8.707 12.703 -5.550 270 HA LEU 38 HA LEU 38 10.584 10.843 -6.966 271 1HB LEU 38 2HB LEU 38 9.899 12.501 -8.496 272 2HB LEU 38 1HB LEU 38 10.087 13.779 -7.351 273 HG LEU 38 HG LEU 38 11.835 13.629 -9.270 274 1HD1 LEU 38 3HD1 LEU 38 12.587 14.800 -7.221 275 2HD1 LEU 38 2HD1 LEU 38 13.198 13.296 -6.544 276 3HD1 LEU 38 1HD1 LEU 38 13.903 13.948 -7.995 277 1HD2 LEU 38 2HD2 LEU 38 11.935 11.166 -9.420 278 2HD2 LEU 38 1HD2 LEU 38 13.538 11.836 -9.197 279 3HD2 LEU 38 3HD2 LEU 38 12.715 11.081 -7.849 280 H PHE 39 H PHE 39 10.850 13.877 -5.053 281 HA PHE 39 HA PHE 39 13.374 12.848 -3.881 282 1HB PHE 39 2HB PHE 39 13.437 15.196 -2.845 283 2HB PHE 39 1HB PHE 39 13.398 15.219 -4.602 284 HD1 PHE 39 HD1 PHE 39 11.251 15.788 -5.792 285 HD2 PHE 39 HD2 PHE 39 11.535 15.977 -1.545 286 HE1 PHE 39 HE1 PHE 39 9.161 17.064 -5.708 287 HE2 PHE 39 HE2 PHE 39 9.449 17.255 -1.467 288 HZ PHE 39 HZ PHE 39 8.261 17.805 -3.544 289 H LYS 40 H LYS 40 11.233 11.360 -3.263 290 HA LYS 40 HA LYS 40 10.860 11.848 -0.350 291 1HB LYS 40 2HB LYS 40 8.706 12.369 -1.597 292 2HB LYS 40 1HB LYS 40 8.797 10.798 -2.356 293 1HG LYS 40 2HG LYS 40 7.222 10.577 -0.585 294 2HG LYS 40 1HG LYS 40 8.642 9.687 -0.113 295 1HD LYS 40 2HD LYS 40 9.405 11.705 1.263 296 2HD LYS 40 1HD LYS 40 7.919 12.532 0.816 297 1HE LYS 40 2HE LYS 40 6.641 10.584 1.899 298 2HE LYS 40 1HE LYS 40 8.189 9.963 2.453 299 1HZ LYS 40 1HZ LYS 40 8.043 12.677 3.195 300 2HZ LYS 40 3HZ LYS 40 6.584 11.944 3.645 301 3HZ LYS 40 2HZ LYS 40 8.046 11.319 4.219 302 H LYS 41 H LYS 41 12.593 10.343 0.077 303 HA LYS 41 HA LYS 41 12.617 7.776 -1.279 304 1HB LYS 41 2HB LYS 41 14.343 7.152 0.384 305 2HB LYS 41 1HB LYS 41 14.675 8.755 -0.213 306 1HG LYS 41 2HG LYS 41 15.043 8.902 2.132 307 2HG LYS 41 1HG LYS 41 13.480 9.656 1.914 308 1HD LYS 41 2HD LYS 41 12.273 7.705 2.717 309 2HD LYS 41 1HD LYS 41 13.665 6.670 2.601 310 1HE LYS 41 2HE LYS 41 13.065 8.917 4.569 311 2HE LYS 41 1HE LYS 41 13.118 7.184 4.877 312 1HZ LYS 41 3HZ LYS 41 15.556 7.863 3.719 313 2HZ LYS 41 2HZ LYS 41 15.274 9.012 4.944 314 3HZ LYS 41 1HZ LYS 41 15.257 7.354 5.294 315 H CYS 42 H CYS 42 12.414 5.706 0.171 316 HA CYS 42 HA CYS 42 9.996 5.925 1.911 317 1HB CYS 42 2HB CYS 42 9.733 4.918 -0.477 318 2HB CYS 42 1HB CYS 42 10.733 3.593 0.038 No H/Q in entry = 318 Start of MODEL 14 1 1H CYS 1 2H CYS 1 -0.397 0.479 -0.060 2 2H CYS 1 1H CYS 1 0.716 -0.159 1.014 3 3H CYS 1 3H CYS 1 0.907 1.405 0.430 4 HA CYS 1 HA CYS 1 2.080 0.730 -1.329 5 1HB CYS 1 2HB CYS 1 3.046 -0.937 -0.133 6 2HB CYS 1 1HB CYS 1 1.580 -1.922 -0.095 7 H ALA 2 H ALA 2 0.583 1.431 -2.906 8 HA ALA 2 HA ALA 2 -1.318 -0.583 -4.043 9 1HB ALA 2 2HB ALA 2 -1.302 2.480 -4.325 10 2HB ALA 2 1HB ALA 2 -2.516 1.411 -5.008 11 3HB ALA 2 3HB ALA 2 -2.390 1.589 -3.265 12 H LYS 3 H LYS 3 -1.294 -0.471 -6.520 13 HA LYS 3 HA LYS 3 1.445 0.359 -7.486 14 1HB LYS 3 2HB LYS 3 -0.175 -2.110 -8.243 15 2HB LYS 3 1HB LYS 3 1.130 -1.509 -9.232 16 1HG LYS 3 2HG LYS 3 2.633 -1.696 -7.102 17 2HG LYS 3 1HG LYS 3 1.324 -2.643 -6.412 18 1HD LYS 3 2HD LYS 3 1.425 -4.251 -8.299 19 2HD LYS 3 1HD LYS 3 2.631 -3.262 -9.107 20 1HE LYS 3 2HE LYS 3 4.217 -3.678 -7.174 21 2HE LYS 3 1HE LYS 3 3.017 -4.729 -6.442 22 1HZ LYS 3 3HZ LYS 3 3.392 -5.543 -9.116 23 2HZ LYS 3 2HZ LYS 3 4.917 -5.371 -8.408 24 3HZ LYS 3 1HZ LYS 3 3.767 -6.399 -7.706 25 H LYS 4 H LYS 4 -0.360 2.170 -7.536 26 HA LYS 4 HA LYS 4 -1.478 3.730 -8.932 27 1HB LYS 4 2HB LYS 4 -0.429 2.318 -11.394 28 2HB LYS 4 1HB LYS 4 -0.511 4.045 -11.066 29 1HG LYS 4 2HG LYS 4 1.367 3.641 -9.307 30 2HG LYS 4 1HG LYS 4 1.512 2.021 -9.934 31 1HD LYS 4 2HD LYS 4 3.099 2.934 -11.249 32 2HD LYS 4 1HD LYS 4 1.704 3.225 -12.278 33 1HE LYS 4 2HE LYS 4 1.433 5.492 -11.287 34 2HE LYS 4 1HE LYS 4 2.826 5.214 -10.253 35 1HZ LYS 4 1HZ LYS 4 3.569 4.684 -12.947 36 2HZ LYS 4 3HZ LYS 4 2.791 6.201 -12.808 37 3HZ LYS 4 2HZ LYS 4 4.132 5.858 -11.850 38 H ARG 5 H ARG 5 -2.841 3.153 -11.452 39 HA ARG 5 HA ARG 5 -4.592 2.011 -12.472 40 1HB ARG 5 2HB ARG 5 -3.542 -0.339 -10.797 41 2HB ARG 5 1HB ARG 5 -4.908 -0.507 -11.843 42 1HG ARG 5 2HG ARG 5 -2.162 0.497 -12.724 43 2HG ARG 5 1HG ARG 5 -2.698 -1.159 -12.890 44 1HD ARG 5 2HD ARG 5 -3.867 1.288 -14.333 45 2HD ARG 5 1HD ARG 5 -3.128 -0.139 -15.021 46 HE ARG 5 HE ARG 5 -5.099 -1.432 -13.973 47 1HH1 ARG 5 2HH1 ARG 5 -6.540 0.797 -12.652 48 2HH1 ARG 5 1HH1 ARG 5 -7.673 1.284 -13.823 49 1HH2 ARG 5 1HH2 ARG 5 -5.932 -0.386 -16.426 50 2HH2 ARG 5 2HH2 ARG 5 -7.317 0.588 -16.109 51 H ASN 6 H ASN 6 -4.455 1.397 -9.126 52 HA ASN 6 HA ASN 6 -7.306 1.956 -8.523 53 1HB ASN 6 2HB ASN 6 -5.282 -0.186 -7.625 54 2HB ASN 6 1HB ASN 6 -6.478 0.359 -6.478 55 1HD2 ASN 6 2HD2 ASN 6 -8.952 -1.734 -7.853 56 2HD2 ASN 6 1HD2 ASN 6 -8.403 -0.786 -6.545 57 H TRP 7 H TRP 7 -7.329 3.345 -6.716 58 HA TRP 7 HA TRP 7 -4.639 4.620 -6.391 59 1HB TRP 7 2HB TRP 7 -5.850 6.632 -5.683 60 2HB TRP 7 1HB TRP 7 -6.357 6.198 -7.293 61 HD1 TRP 7 HD1 TRP 7 -7.700 5.129 -3.881 62 HE1 TRP 7 HE1 TRP 7 -10.217 5.579 -3.757 63 HE3 TRP 7 HE3 TRP 7 -8.312 6.991 -8.496 64 HZ2 TRP 7 HZ2 TRP 7 -12.101 6.484 -5.367 65 HZ3 TRP 7 HZ3 TRP 7 -10.586 7.647 -9.213 66 HH2 TRP 7 HH2 TRP 7 -12.495 7.402 -7.652 67 H CYS 8 H CYS 8 -4.373 5.738 -4.442 68 HA CYS 8 HA CYS 8 -4.905 3.980 -2.117 69 1HB CYS 8 2HB CYS 8 -3.057 5.840 -1.357 70 2HB CYS 8 1HB CYS 8 -2.635 4.351 -2.140 71 H GLY 9 H GLY 9 -5.586 6.870 -3.722 72 1HA GLY 9 2HA GLY 9 -7.467 8.305 -3.358 73 2HA GLY 9 1HA GLY 9 -7.574 7.750 -1.693 74 H LYS 10 H LYS 10 -5.230 7.882 -0.788 75 HA LYS 10 HA LYS 10 -4.193 10.656 -1.024 76 1HB LYS 10 2HB LYS 10 -3.923 10.374 1.609 77 2HB LYS 10 1HB LYS 10 -5.543 10.713 1.018 78 1HG LYS 10 2HG LYS 10 -6.117 8.290 1.053 79 2HG LYS 10 1HG LYS 10 -4.489 7.864 1.416 80 1HD LYS 10 2HD LYS 10 -4.690 8.407 3.660 81 2HD LYS 10 1HD LYS 10 -5.687 9.745 3.316 82 1HE LYS 10 2HE LYS 10 -7.685 8.171 3.154 83 2HE LYS 10 1HE LYS 10 -6.611 6.785 3.035 84 1HZ LYS 10 3HZ LYS 10 -5.991 8.041 5.416 85 2HZ LYS 10 2HZ LYS 10 -7.694 7.852 5.443 86 3HZ LYS 10 1HZ LYS 10 -6.595 6.558 5.179 87 H ASN 11 H ASN 11 -1.942 10.780 -0.087 88 HA ASN 11 HA ASN 11 -0.563 8.463 -1.185 89 1HB ASN 11 2HB ASN 11 1.533 9.657 -0.432 90 2HB ASN 11 1HB ASN 11 0.475 10.750 -1.311 91 1HD2 ASN 11 2HD2 ASN 11 0.801 11.275 2.732 92 2HD2 ASN 11 1HD2 ASN 11 1.106 9.725 2.099 93 H GLU 12 H GLU 12 -2.416 8.100 1.337 94 HA GLU 12 HA GLU 12 -0.623 7.549 3.505 95 1HB GLU 12 2HB GLU 12 -2.837 7.954 3.939 96 2HB GLU 12 1HB GLU 12 -3.445 6.796 2.752 97 1HG GLU 12 2HG GLU 12 -2.819 4.928 4.238 98 2HG GLU 12 1HG GLU 12 -2.147 6.070 5.405 99 H ASP 13 H ASP 13 -2.298 5.072 1.462 100 HA ASP 13 HA ASP 13 0.037 3.324 2.158 101 1HB ASP 13 2HB ASP 13 -2.132 2.563 3.112 102 2HB ASP 13 1HB ASP 13 -2.789 2.402 1.484 103 H CYS 14 H CYS 14 0.750 4.702 0.105 104 HA CYS 14 HA CYS 14 0.165 3.198 -2.454 105 1HB CYS 14 2HB CYS 14 0.032 5.638 -2.514 106 2HB CYS 14 1HB CYS 14 1.608 5.775 -1.770 107 H CYS 15 H CYS 15 2.063 2.425 -3.683 108 HA CYS 15 HA CYS 15 4.198 1.425 -1.840 109 1HB CYS 15 2HB CYS 15 2.514 0.074 -3.556 110 2HB CYS 15 1HB CYS 15 3.826 0.375 -4.594 111 H CYS 16 H CYS 16 5.206 3.304 -1.852 112 HA CYS 16 HA CYS 16 5.976 5.070 -3.744 113 1HB CYS 16 2HB CYS 16 8.138 5.197 -2.314 114 2HB CYS 16 1HB CYS 16 6.580 5.596 -1.636 115 HA PRO 17 HA PRO 17 7.664 6.470 -3.708 116 1HB PRO 17 2HB PRO 17 9.317 7.855 -5.019 117 2HB PRO 17 1HB PRO 17 9.951 6.442 -4.121 118 1HG PRO 17 2HG PRO 17 9.259 6.612 -7.132 119 2HG PRO 17 1HG PRO 17 10.735 5.979 -6.404 120 1HD PRO 17 2HD PRO 17 8.442 4.389 -7.025 121 2HD PRO 17 1HD PRO 17 9.732 3.889 -5.921 122 H MET 18 H MET 18 5.669 6.629 -4.071 123 HA MET 18 HA MET 18 4.734 8.324 -6.298 124 1HB MET 18 2HB MET 18 3.773 5.717 -5.302 125 2HB MET 18 1HB MET 18 2.699 6.782 -6.198 126 1HG MET 18 2HG MET 18 3.677 6.001 -8.139 127 2HG MET 18 1HG MET 18 5.207 6.576 -7.534 128 1HE MET 18 2HE MET 18 2.674 4.086 -7.325 129 2HE MET 18 1HE MET 18 3.469 2.541 -7.041 130 3HE MET 18 3HE MET 18 3.330 3.708 -5.723 131 H LYS 19 H LYS 19 2.912 9.214 -5.935 132 HA LYS 19 HA LYS 19 2.065 9.642 -3.070 133 1HB LYS 19 2HB LYS 19 3.683 11.443 -4.068 134 2HB LYS 19 1HB LYS 19 2.397 11.834 -5.182 135 1HG LYS 19 2HG LYS 19 2.112 12.023 -2.144 136 2HG LYS 19 1HG LYS 19 2.606 13.366 -3.136 137 1HD LYS 19 2HD LYS 19 0.467 13.037 -4.502 138 2HD LYS 19 1HD LYS 19 -0.060 11.941 -3.242 139 1HE LYS 19 2HE LYS 19 0.048 13.673 -1.528 140 2HE LYS 19 1HE LYS 19 0.618 14.836 -2.720 141 1HZ LYS 19 1HZ LYS 19 -1.671 13.528 -3.763 142 2HZ LYS 19 3HZ LYS 19 -2.070 14.041 -2.228 143 3HZ LYS 19 2HZ LYS 19 -1.502 15.170 -3.359 144 H CYS 20 H CYS 20 -0.408 9.986 -3.037 145 HA CYS 20 HA CYS 20 -1.509 8.909 -5.505 146 1HB CYS 20 2HB CYS 20 -2.154 8.891 -2.802 147 2HB CYS 20 1HB CYS 20 -3.379 9.946 -3.428 148 H ILE 21 H ILE 21 -2.251 10.091 -7.086 149 HA ILE 21 HA ILE 21 -2.093 13.043 -6.990 150 HB ILE 21 HB ILE 21 -2.577 11.219 -9.392 151 1HG1 ILE 21 2HG1 ILE 21 -0.571 10.624 -8.313 152 2HG1 ILE 21 1HG1 ILE 21 -0.294 11.381 -9.893 153 1HG2 ILE 21 3HG2 ILE 21 -1.491 14.025 -9.259 154 2HG2 ILE 21 2HG2 ILE 21 -1.652 13.012 -10.689 155 3HG2 ILE 21 1HG2 ILE 21 -3.092 13.555 -9.853 156 1HD1 ILE 21 2HD1 ILE 21 0.448 13.470 -8.708 157 2HD1 ILE 21 1HD1 ILE 21 0.160 12.611 -7.209 158 3HD1 ILE 21 3HD1 ILE 21 1.411 12.071 -8.249 159 H TYR 22 H TYR 22 -3.714 14.223 -8.038 160 HA TYR 22 HA TYR 22 -6.428 13.033 -7.834 161 1HB TYR 22 2HB TYR 22 -5.587 15.829 -7.067 162 2HB TYR 22 1HB TYR 22 -7.150 15.088 -6.655 163 HD1 TYR 22 HD1 TYR 22 -6.125 12.449 -5.765 164 HD2 TYR 22 HD2 TYR 22 -4.715 16.326 -4.905 165 HE1 TYR 22 HE1 TYR 22 -5.088 11.545 -3.798 166 HE2 TYR 22 HE2 TYR 22 -3.678 15.429 -2.874 167 HH TYR 22 HH TYR 22 -3.702 12.102 -2.062 168 H ALA 23 H ALA 23 -8.039 14.391 -8.862 169 HA ALA 23 HA ALA 23 -7.031 15.566 -11.434 170 1HB ALA 23 2HB ALA 23 -8.270 13.381 -11.720 171 2HB ALA 23 1HB ALA 23 -9.672 14.073 -10.922 172 3HB ALA 23 3HB ALA 23 -9.132 14.719 -12.457 173 H TRP 24 H TRP 24 -9.989 15.451 -9.488 174 HA TRP 24 HA TRP 24 -9.960 18.416 -9.116 175 1HB TRP 24 2HB TRP 24 -12.121 18.710 -10.111 176 2HB TRP 24 1HB TRP 24 -11.154 17.861 -11.290 177 HD1 TRP 24 HD1 TRP 24 -11.984 15.171 -11.801 178 HE1 TRP 24 HE1 TRP 24 -14.115 13.987 -11.223 179 HE3 TRP 24 HE3 TRP 24 -13.682 18.523 -8.551 180 HZ2 TRP 24 HZ2 TRP 24 -16.326 14.460 -9.493 181 HZ3 TRP 24 HZ3 TRP 24 -15.759 18.193 -7.404 182 HH2 TRP 24 HH2 TRP 24 -17.147 16.132 -7.861 183 H TYR 25 H TYR 25 -12.108 15.683 -8.605 184 HA TYR 25 HA TYR 25 -13.580 16.043 -6.521 185 1HB TYR 25 2HB TYR 25 -12.853 13.677 -5.620 186 2HB TYR 25 1HB TYR 25 -13.541 13.848 -7.210 187 HD1 TYR 25 HD2 TYR 25 -10.168 13.688 -5.488 188 HD2 TYR 25 HD1 TYR 25 -12.381 13.087 -9.088 189 HE1 TYR 25 HE2 TYR 25 -8.231 12.701 -6.533 190 HE2 TYR 25 HE1 TYR 25 -10.406 12.074 -10.111 191 HH TYR 25 HH TYR 25 -8.095 10.789 -8.785 192 H ASN 26 H ASN 26 -10.152 15.650 -5.803 193 HA ASN 26 HA ASN 26 -8.883 16.145 -3.886 194 1HB ASN 26 2HB ASN 26 -10.161 18.310 -4.311 195 2HB ASN 26 1HB ASN 26 -11.309 17.800 -3.104 196 1HD2 ASN 26 2HD2 ASN 26 -8.262 18.317 -0.733 197 2HD2 ASN 26 1HD2 ASN 26 -8.771 16.808 -1.336 198 H GLN 27 H GLN 27 -11.455 14.301 -3.893 199 HA GLN 27 HA GLN 27 -11.587 13.665 -0.992 200 1HB GLN 27 2HB GLN 27 -13.692 14.068 -2.414 201 2HB GLN 27 1HB GLN 27 -13.314 12.599 -3.290 202 1HG GLN 27 2HG GLN 27 -13.410 11.345 -1.064 203 2HG GLN 27 1HG GLN 27 -14.003 12.831 -0.338 204 1HE2 GLN 27 2HE2 GLN 27 -17.259 12.243 -1.540 205 2HE2 GLN 27 1HE2 GLN 27 -16.270 13.067 -0.427 206 H GLN 28 H GLN 28 -10.955 12.251 -4.128 207 HA GLN 28 HA GLN 28 -9.509 9.989 -2.822 208 1HB GLN 28 2HB GLN 28 -11.014 10.000 -5.529 209 2HB GLN 28 1HB GLN 28 -10.226 8.610 -4.829 210 1HG GLN 28 2HG GLN 28 -12.575 9.995 -3.485 211 2HG GLN 28 1HG GLN 28 -12.740 8.597 -4.521 212 1HE2 GLN 28 2HE2 GLN 28 -12.048 7.860 -0.747 213 2HE2 GLN 28 1HE2 GLN 28 -12.813 9.251 -1.366 214 H GLY 29 H GLY 29 -8.332 8.924 -5.016 215 1HA GLY 29 2HA GLY 29 -6.890 10.904 -6.498 216 2HA GLY 29 1HA GLY 29 -5.907 10.350 -5.155 217 H SER 30 H SER 30 -4.344 9.096 -5.896 218 HA SER 30 HA SER 30 -4.467 6.667 -7.210 219 1HB SER 30 2HB SER 30 -5.386 7.382 -9.242 220 2HB SER 30 1HB SER 30 -4.552 8.941 -9.211 221 HG SER 30 HG SER 30 -2.642 7.879 -9.666 222 H CYS 31 H CYS 31 -2.774 5.934 -6.316 223 HA CYS 31 HA CYS 31 -0.311 6.929 -5.628 224 1HB CYS 31 2HB CYS 31 -1.429 4.567 -5.326 225 2HB CYS 31 1HB CYS 31 -0.819 4.232 -6.889 226 H GLN 32 H GLN 32 0.565 8.492 -7.276 227 HA GLN 32 HA GLN 32 1.360 7.136 -9.784 228 1HB GLN 32 2HB GLN 32 -0.393 9.055 -9.862 229 2HB GLN 32 1HB GLN 32 0.969 9.959 -9.190 230 1HG GLN 32 2HG GLN 32 0.694 10.499 -11.554 231 2HG GLN 32 1HG GLN 32 2.266 9.856 -11.157 232 1HE2 GLN 32 2HE2 GLN 32 -0.274 7.876 -13.634 233 2HE2 GLN 32 1HE2 GLN 32 -0.763 9.261 -12.792 234 H THR 33 H THR 33 3.356 7.797 -10.611 235 HA THR 33 HA THR 33 5.066 8.282 -8.363 236 HB THR 33 HB THR 33 6.739 8.286 -10.788 237 HG1 THR 33 HG1 THR 33 5.509 7.550 -12.188 238 1HG2 THR 33 1HG2 THR 33 7.067 7.090 -8.789 239 2HG2 THR 33 3HG2 THR 33 5.801 5.936 -9.270 240 3HG2 THR 33 2HG2 THR 33 7.263 6.128 -10.249 241 H THR 34 H THR 34 3.892 10.471 -8.303 242 HA THR 34 HA THR 34 5.968 12.141 -9.111 243 HB THR 34 HB THR 34 4.607 12.009 -11.323 244 HG1 THR 34 HG1 THR 34 4.949 14.113 -11.558 245 1HG2 THR 34 1HG2 THR 34 2.434 11.628 -10.073 246 2HG2 THR 34 3HG2 THR 34 2.454 13.332 -9.637 247 3HG2 THR 34 2HG2 THR 34 2.315 12.856 -11.327 248 H ILE 35 H ILE 35 5.351 14.457 -9.015 249 HA ILE 35 HA ILE 35 5.001 16.351 -7.771 250 HB ILE 35 HB ILE 35 2.546 15.231 -7.430 251 1HG1 ILE 35 2HG1 ILE 35 3.740 17.356 -5.543 252 2HG1 ILE 35 1HG1 ILE 35 3.179 17.660 -7.171 253 1HG2 ILE 35 2HG2 ILE 35 3.237 13.674 -5.483 254 2HG2 ILE 35 1HG2 ILE 35 3.658 15.092 -4.569 255 3HG2 ILE 35 3HG2 ILE 35 1.996 14.784 -5.048 256 1HD1 ILE 35 3HD1 ILE 35 0.870 17.049 -6.542 257 2HD1 ILE 35 2HD1 ILE 35 1.383 16.766 -4.880 258 3HD1 ILE 35 1HD1 ILE 35 1.487 18.371 -5.568 259 H THR 36 H THR 36 5.032 13.403 -5.947 260 HA THR 36 HA THR 36 7.572 14.037 -4.614 261 HB THR 36 HB THR 36 4.961 13.379 -3.072 262 HG1 THR 36 HG1 THR 36 6.174 15.722 -3.954 263 1HG2 THR 36 2HG2 THR 36 7.694 14.320 -2.061 264 2HG2 THR 36 1HG2 THR 36 6.284 13.961 -1.076 265 3HG2 THR 36 3HG2 THR 36 7.119 12.665 -1.919 266 H GLY 37 H GLY 37 6.886 12.411 -6.744 267 1HA GLY 37 2HA GLY 37 6.842 9.658 -5.575 268 2HA GLY 37 1HA GLY 37 6.359 10.058 -7.222 269 H LEU 38 H LEU 38 9.038 11.191 -5.439 270 HA LEU 38 HA LEU 38 10.993 9.470 -6.744 271 1HB LEU 38 2HB LEU 38 10.531 11.016 -8.584 272 2HB LEU 38 1HB LEU 38 10.691 12.408 -7.549 273 HG LEU 38 HG LEU 38 13.166 11.868 -7.286 274 1HD1 LEU 38 2HD1 LEU 38 12.542 9.586 -9.234 275 2HD1 LEU 38 1HD1 LEU 38 14.147 10.048 -8.696 276 3HD1 LEU 38 3HD1 LEU 38 13.007 9.378 -7.555 277 1HD2 LEU 38 2HD2 LEU 38 12.436 13.333 -9.182 278 2HD2 LEU 38 1HD2 LEU 38 13.834 12.373 -9.628 279 3HD2 LEU 38 3HD2 LEU 38 12.239 11.914 -10.196 280 H PHE 39 H PHE 39 10.908 12.726 -5.492 281 HA PHE 39 HA PHE 39 13.051 12.120 -3.522 282 1HB PHE 39 2HB PHE 39 12.930 14.765 -3.369 283 2HB PHE 39 1HB PHE 39 13.611 14.055 -4.826 284 HD1 PHE 39 HD1 PHE 39 10.359 15.344 -3.405 285 HD2 PHE 39 HD2 PHE 39 12.599 14.477 -6.932 286 HE1 PHE 39 HE1 PHE 39 8.616 16.361 -4.769 287 HE2 PHE 39 HE2 PHE 39 10.834 15.500 -8.294 288 HZ PHE 39 HZ PHE 39 8.829 16.441 -7.205 289 H LYS 40 H LYS 40 10.908 10.913 -2.895 290 HA LYS 40 HA LYS 40 9.157 12.470 -1.105 291 1HB LYS 40 2HB LYS 40 8.064 10.670 -2.298 292 2HB LYS 40 1HB LYS 40 9.332 9.533 -1.943 293 1HG LYS 40 2HG LYS 40 8.668 9.587 0.487 294 2HG LYS 40 1HG LYS 40 7.357 10.680 0.052 295 1HD LYS 40 2HD LYS 40 6.160 8.974 -1.105 296 2HD LYS 40 1HD LYS 40 7.601 8.041 -1.426 297 1HE LYS 40 2HE LYS 40 6.189 6.963 0.377 298 2HE LYS 40 1HE LYS 40 7.785 7.401 0.965 299 1HZ LYS 40 2HZ LYS 40 6.133 9.613 1.286 300 2HZ LYS 40 1HZ LYS 40 5.348 8.254 1.961 301 3HZ LYS 40 3HZ LYS 40 6.922 8.656 2.470 302 H LYS 41 H LYS 41 11.071 9.661 -0.735 303 HA LYS 41 HA LYS 41 12.923 9.359 0.817 304 1HB LYS 41 2HB LYS 41 12.370 11.545 2.118 305 2HB LYS 41 1HB LYS 41 11.050 10.675 2.875 306 1HG LYS 41 2HG LYS 41 12.617 9.034 3.828 307 2HG LYS 41 1HG LYS 41 13.964 9.785 2.998 308 1HD LYS 41 2HD LYS 41 13.372 11.950 4.325 309 2HD LYS 41 1HD LYS 41 12.184 10.996 5.183 310 1HE LYS 41 2HE LYS 41 14.295 11.128 6.481 311 2HE LYS 41 1HE LYS 41 13.947 9.466 6.024 312 1HZ LYS 41 3HZ LYS 41 15.397 10.677 3.942 313 2HZ LYS 41 2HZ LYS 41 16.220 10.988 5.388 314 3HZ LYS 41 1HZ LYS 41 15.883 9.391 4.938 315 H CYS 42 H CYS 42 11.925 7.418 -0.030 316 HA CYS 42 HA CYS 42 10.557 5.820 2.016 317 1HB CYS 42 2HB CYS 42 9.152 6.728 -0.406 318 2HB CYS 42 1HB CYS 42 9.764 5.154 -0.753 No H/Q in entry = 318 Start of MODEL 15 1 1H CYS 1 2H CYS 1 0.518 -1.321 -0.378 2 2H CYS 1 1H CYS 1 1.935 -1.854 0.353 3 3H CYS 1 3H CYS 1 1.517 -0.215 0.349 4 HA CYS 1 HA CYS 1 2.690 0.020 -1.621 5 1HB CYS 1 2HB CYS 1 4.167 -1.664 -1.370 6 2HB CYS 1 1HB CYS 1 2.947 -2.915 -1.204 7 H ALA 2 H ALA 2 1.717 0.438 -3.603 8 HA ALA 2 HA ALA 2 -0.615 -1.198 -4.487 9 1HB ALA 2 3HB ALA 2 -1.381 0.968 -3.477 10 2HB ALA 2 2HB ALA 2 -0.339 1.831 -4.600 11 3HB ALA 2 1HB ALA 2 -1.722 0.941 -5.200 12 H LYS 3 H LYS 3 -1.087 -0.231 -6.950 13 HA LYS 3 HA LYS 3 1.548 0.049 -8.303 14 1HB LYS 3 2HB LYS 3 0.790 -2.408 -8.030 15 2HB LYS 3 1HB LYS 3 -0.514 -2.025 -9.137 16 1HG LYS 3 2HG LYS 3 0.914 -1.658 -10.960 17 2HG LYS 3 1HG LYS 3 2.310 -1.321 -9.946 18 1HD LYS 3 2HD LYS 3 2.297 -3.706 -9.189 19 2HD LYS 3 1HD LYS 3 0.966 -4.026 -10.299 20 1HE LYS 3 2HE LYS 3 2.374 -3.370 -12.219 21 2HE LYS 3 1HE LYS 3 3.679 -2.899 -11.135 22 1HZ LYS 3 2HZ LYS 3 2.933 -5.547 -10.530 23 2HZ LYS 3 1HZ LYS 3 3.163 -5.429 -12.201 24 3HZ LYS 3 3HZ LYS 3 4.398 -4.963 -11.134 25 H LYS 4 H LYS 4 -0.282 1.939 -7.831 26 HA LYS 4 HA LYS 4 -1.433 3.657 -8.883 27 1HB LYS 4 2HB LYS 4 -0.426 2.348 -11.532 28 2HB LYS 4 1HB LYS 4 -0.896 4.020 -11.323 29 1HG LYS 4 2HG LYS 4 1.046 4.648 -10.216 30 2HG LYS 4 1HG LYS 4 1.315 3.087 -9.510 31 1HD LYS 4 2HD LYS 4 3.084 3.351 -11.122 32 2HD LYS 4 1HD LYS 4 1.973 2.182 -11.767 33 1HE LYS 4 2HE LYS 4 2.627 3.705 -13.567 34 2HE LYS 4 1HE LYS 4 0.931 3.954 -13.202 35 1HZ LYS 4 2HZ LYS 4 2.378 5.655 -11.533 36 2HZ LYS 4 1HZ LYS 4 3.009 5.869 -13.093 37 3HZ LYS 4 3HZ LYS 4 1.362 6.062 -12.787 38 H ARG 5 H ARG 5 -3.150 3.971 -10.755 39 HA ARG 5 HA ARG 5 -5.256 3.488 -11.626 40 1HB ARG 5 2HB ARG 5 -4.158 1.340 -12.558 41 2HB ARG 5 1HB ARG 5 -4.621 0.525 -11.085 42 1HG ARG 5 2HG ARG 5 -6.943 0.681 -11.473 43 2HG ARG 5 1HG ARG 5 -6.807 1.973 -12.626 44 1HD ARG 5 2HD ARG 5 -6.088 -0.969 -13.056 45 2HD ARG 5 1HD ARG 5 -7.337 -0.046 -13.876 46 HE ARG 5 HE ARG 5 -4.475 0.014 -14.495 47 1HH1 ARG 5 2HH1 ARG 5 -5.244 2.760 -13.889 48 2HH1 ARG 5 1HH1 ARG 5 -5.757 3.419 -15.405 49 1HH2 ARG 5 1HH2 ARG 5 -6.111 0.122 -16.733 50 2HH2 ARG 5 2HH2 ARG 5 -6.297 1.771 -17.163 51 H ASN 6 H ASN 6 -4.669 1.208 -8.949 52 HA ASN 6 HA ASN 6 -7.365 1.955 -7.746 53 1HB ASN 6 2HB ASN 6 -6.096 -0.558 -7.766 54 2HB ASN 6 1HB ASN 6 -5.323 0.160 -6.361 55 1HD2 ASN 6 2HD2 ASN 6 -9.121 -1.053 -5.988 56 2HD2 ASN 6 1HD2 ASN 6 -8.194 -1.448 -7.357 57 H TRP 7 H TRP 7 -7.382 2.936 -5.755 58 HA TRP 7 HA TRP 7 -4.827 4.430 -5.419 59 1HB TRP 7 2HB TRP 7 -6.129 6.383 -4.830 60 2HB TRP 7 1HB TRP 7 -6.698 5.787 -6.372 61 HD1 TRP 7 HD1 TRP 7 -7.723 4.859 -2.881 62 HE1 TRP 7 HE1 TRP 7 -10.185 5.254 -2.543 63 HE3 TRP 7 HE3 TRP 7 -8.721 6.512 -7.466 64 HZ2 TRP 7 HZ2 TRP 7 -12.262 6.062 -4.055 65 HZ3 TRP 7 HZ3 TRP 7 -11.080 7.091 -8.053 66 HH2 TRP 7 HH2 TRP 7 -12.855 6.864 -6.348 67 H CYS 8 H CYS 8 -4.665 5.596 -3.661 68 HA CYS 8 HA CYS 8 -4.796 3.972 -1.187 69 1HB CYS 8 2HB CYS 8 -2.928 5.848 -0.768 70 2HB CYS 8 1HB CYS 8 -2.614 4.430 -1.716 71 H GLY 9 H GLY 9 -6.036 6.703 -2.719 72 1HA GLY 9 2HA GLY 9 -7.889 8.072 -1.973 73 2HA GLY 9 1HA GLY 9 -7.612 7.511 -0.320 74 H LYS 10 H LYS 10 -5.251 7.817 0.289 75 HA LYS 10 HA LYS 10 -4.232 10.508 -0.410 76 1HB LYS 10 2HB LYS 10 -3.881 10.963 2.027 77 2HB LYS 10 1HB LYS 10 -5.573 10.593 1.739 78 1HG LYS 10 2HG LYS 10 -5.462 8.465 2.798 79 2HG LYS 10 1HG LYS 10 -3.808 8.213 2.354 80 1HD LYS 10 2HD LYS 10 -3.362 8.584 4.485 81 2HD LYS 10 1HD LYS 10 -3.404 10.250 4.059 82 1HE LYS 10 2HE LYS 10 -5.653 8.536 5.324 83 2HE LYS 10 1HE LYS 10 -4.782 9.835 6.089 84 1HZ LYS 10 1HZ LYS 10 -5.895 10.831 3.742 85 2HZ LYS 10 3HZ LYS 10 -7.096 9.906 4.507 86 3HZ LYS 10 2HZ LYS 10 -6.360 11.199 5.341 87 H ASN 11 H ASN 11 -1.976 10.579 0.998 88 HA ASN 11 HA ASN 11 -0.364 8.635 -0.385 89 1HB ASN 11 2HB ASN 11 0.374 10.997 0.154 90 2HB ASN 11 1HB ASN 11 0.355 10.603 1.854 91 1HD2 ASN 11 2HD2 ASN 11 3.445 8.581 0.221 92 2HD2 ASN 11 1HD2 ASN 11 1.839 8.131 -0.078 93 H GLU 12 H GLU 12 -2.230 7.316 1.483 94 HA GLU 12 HA GLU 12 -0.721 6.360 3.787 95 1HB GLU 12 2HB GLU 12 -3.542 6.254 2.897 96 2HB GLU 12 1HB GLU 12 -3.023 4.689 3.433 97 1HG GLU 12 2HG GLU 12 -2.570 5.339 5.600 98 2HG GLU 12 1HG GLU 12 -2.299 7.016 5.216 99 H ASP 13 H ASP 13 -2.161 4.386 1.075 100 HA ASP 13 HA ASP 13 0.196 2.582 1.570 101 1HB ASP 13 2HB ASP 13 -1.863 1.462 2.347 102 2HB ASP 13 1HB ASP 13 -2.542 1.585 0.722 103 H CYS 14 H CYS 14 1.503 3.079 -0.025 104 HA CYS 14 HA CYS 14 0.727 2.315 -2.808 105 1HB CYS 14 2HB CYS 14 1.922 4.898 -1.877 106 2HB CYS 14 1HB CYS 14 2.039 4.299 -3.494 107 H CYS 15 H CYS 15 2.606 1.988 -4.144 108 HA CYS 15 HA CYS 15 4.809 0.814 -2.524 109 1HB CYS 15 2HB CYS 15 3.290 -0.158 -4.538 110 2HB CYS 15 1HB CYS 15 4.618 0.405 -5.453 111 H CYS 16 H CYS 16 5.824 2.617 -2.069 112 HA CYS 16 HA CYS 16 6.451 4.838 -3.425 113 1HB CYS 16 2HB CYS 16 8.587 4.874 -2.185 114 2HB CYS 16 1HB CYS 16 7.187 4.505 -1.213 115 HA PRO 17 HA PRO 17 7.894 6.308 -3.767 116 1HB PRO 17 2HB PRO 17 8.331 8.016 -5.724 117 2HB PRO 17 1HB PRO 17 9.717 7.129 -5.054 118 1HG PRO 17 2HG PRO 17 8.021 6.325 -7.523 119 2HG PRO 17 1HG PRO 17 9.768 6.555 -7.473 120 1HD PRO 17 2HD PRO 17 8.673 4.064 -7.084 121 2HD PRO 17 1HD PRO 17 10.101 4.542 -6.151 122 H MET 18 H MET 18 5.970 7.446 -3.771 123 HA MET 18 HA MET 18 3.984 7.432 -5.899 124 1HB MET 18 2HB MET 18 4.044 5.103 -4.586 125 2HB MET 18 1HB MET 18 3.172 6.053 -3.405 126 1HG MET 18 2HG MET 18 1.326 6.244 -4.760 127 2HG MET 18 1HG MET 18 2.232 6.362 -6.249 128 1HE MET 18 3HE MET 18 3.839 4.659 -6.731 129 2HE MET 18 2HE MET 18 3.647 2.931 -6.540 130 3HE MET 18 1HE MET 18 2.754 3.801 -7.831 131 H LYS 19 H LYS 19 2.078 8.384 -5.154 132 HA LYS 19 HA LYS 19 1.911 9.909 -2.721 133 1HB LYS 19 2HB LYS 19 3.372 11.444 -4.203 134 2HB LYS 19 1HB LYS 19 2.150 11.314 -5.463 135 1HG LYS 19 2HG LYS 19 0.517 12.512 -4.215 136 2HG LYS 19 1HG LYS 19 1.349 12.267 -2.682 137 1HD LYS 19 2HD LYS 19 3.216 13.749 -3.493 138 2HD LYS 19 1HD LYS 19 2.318 13.992 -4.988 139 1HE LYS 19 2HE LYS 19 0.509 15.140 -3.818 140 2HE LYS 19 1HE LYS 19 1.161 14.701 -2.241 141 1HZ LYS 19 2HZ LYS 19 3.172 16.051 -3.681 142 2HZ LYS 19 1HZ LYS 19 1.770 16.976 -3.810 143 3HZ LYS 19 3HZ LYS 19 2.358 16.605 -2.284 144 H CYS 20 H CYS 20 -0.511 10.281 -2.604 145 HA CYS 20 HA CYS 20 -1.833 8.643 -4.671 146 1HB CYS 20 2HB CYS 20 -2.163 8.883 -2.063 147 2HB CYS 20 1HB CYS 20 -3.285 10.144 -2.488 148 H ILE 21 H ILE 21 -3.053 9.678 -6.330 149 HA ILE 21 HA ILE 21 -2.822 12.609 -6.279 150 HB ILE 21 HB ILE 21 -2.672 10.524 -8.475 151 1HG1 ILE 21 2HG1 ILE 21 -0.684 10.847 -7.146 152 2HG1 ILE 21 1HG1 ILE 21 -0.455 11.492 -8.748 153 1HG2 ILE 21 3HG2 ILE 21 -2.694 13.528 -8.916 154 2HG2 ILE 21 2HG2 ILE 21 -2.292 12.284 -10.091 155 3HG2 ILE 21 1HG2 ILE 21 -3.920 12.360 -9.457 156 1HD1 ILE 21 2HD1 ILE 21 -1.047 13.189 -6.270 157 2HD1 ILE 21 1HD1 ILE 21 0.430 12.828 -7.042 158 3HD1 ILE 21 3HD1 ILE 21 -0.750 13.798 -7.902 159 H TYR 22 H TYR 22 -4.082 13.831 -6.767 160 HA TYR 22 HA TYR 22 -6.953 13.306 -6.605 161 1HB TYR 22 2HB TYR 22 -5.150 15.743 -6.228 162 2HB TYR 22 1HB TYR 22 -6.819 15.660 -5.668 163 HD1 TYR 22 HD1 TYR 22 -7.338 13.498 -4.079 164 HD2 TYR 22 HD2 TYR 22 -3.465 15.094 -4.823 165 HE1 TYR 22 HE1 TYR 22 -6.469 12.310 -2.101 166 HE2 TYR 22 HE2 TYR 22 -2.607 13.914 -2.875 167 HH TYR 22 HH TYR 22 -3.232 13.000 -0.904 168 H ALA 23 H ALA 23 -4.559 14.133 -8.843 169 HA ALA 23 HA ALA 23 -4.598 15.020 -11.045 170 1HB ALA 23 3HB ALA 23 -5.776 12.793 -11.333 171 2HB ALA 23 2HB ALA 23 -7.300 13.590 -10.966 172 3HB ALA 23 1HB ALA 23 -6.424 14.015 -12.420 173 H TRP 24 H TRP 24 -5.403 16.674 -9.075 174 HA TRP 24 HA TRP 24 -6.048 18.947 -8.936 175 1HB TRP 24 2HB TRP 24 -7.053 20.102 -10.760 176 2HB TRP 24 1HB TRP 24 -6.633 18.683 -11.685 177 HD1 TRP 24 HD1 TRP 24 -8.698 17.464 -12.868 178 HE1 TRP 24 HE1 TRP 24 -11.191 17.594 -12.711 179 HE3 TRP 24 HE3 TRP 24 -9.053 20.623 -8.924 180 HZ2 TRP 24 HZ2 TRP 24 -13.072 18.826 -11.165 181 HZ3 TRP 24 HZ3 TRP 24 -11.300 21.259 -8.125 182 HH2 TRP 24 HH2 TRP 24 -13.311 20.359 -9.249 183 H TYR 25 H TYR 25 -8.475 16.636 -9.884 184 HA TYR 25 HA TYR 25 -10.731 17.386 -8.582 185 1HB TYR 25 2HB TYR 25 -9.662 14.808 -9.478 186 2HB TYR 25 1HB TYR 25 -10.631 14.574 -8.045 187 HD1 TYR 25 HD2 TYR 25 -12.973 15.517 -7.995 188 HD2 TYR 25 HD1 TYR 25 -10.670 15.355 -11.567 189 HE1 TYR 25 HE2 TYR 25 -15.003 15.804 -9.306 190 HE2 TYR 25 HE1 TYR 25 -12.706 15.636 -12.888 191 HH TYR 25 HH TYR 25 -14.969 16.416 -12.695 192 H ASN 26 H ASN 26 -11.793 17.081 -6.728 193 HA ASN 26 HA ASN 26 -10.099 16.526 -4.318 194 1HB ASN 26 2HB ASN 26 -10.888 18.970 -4.837 195 2HB ASN 26 1HB ASN 26 -12.491 18.387 -4.398 196 1HD2 ASN 26 2HD2 ASN 26 -9.648 18.674 -1.491 197 2HD2 ASN 26 1HD2 ASN 26 -9.152 18.658 -3.117 198 H GLN 27 H GLN 27 -10.880 14.333 -4.926 199 HA GLN 27 HA GLN 27 -13.421 13.765 -3.468 200 1HB GLN 27 2HB GLN 27 -12.555 12.666 -6.196 201 2HB GLN 27 1HB GLN 27 -13.788 11.870 -5.246 202 1HG GLN 27 2HG GLN 27 -13.968 14.817 -6.041 203 2HG GLN 27 1HG GLN 27 -14.638 13.536 -7.025 204 1HE2 GLN 27 2HE2 GLN 27 -16.621 13.228 -3.584 205 2HE2 GLN 27 1HE2 GLN 27 -15.049 12.609 -3.770 206 H GLN 28 H GLN 28 -10.959 11.785 -5.071 207 HA GLN 28 HA GLN 28 -10.150 10.585 -2.483 208 1HB GLN 28 2HB GLN 28 -11.114 9.116 -5.007 209 2HB GLN 28 1HB GLN 28 -10.131 8.329 -3.801 210 1HG GLN 28 2HG GLN 28 -12.460 9.730 -2.591 211 2HG GLN 28 1HG GLN 28 -12.914 8.438 -3.688 212 1HE2 GLN 28 2HE2 GLN 28 -12.404 6.229 -0.973 213 2HE2 GLN 28 1HE2 GLN 28 -13.475 6.782 -2.174 214 H GLY 29 H GLY 29 -8.248 8.863 -3.596 215 1HA GLY 29 2HA GLY 29 -6.497 10.800 -5.070 216 2HA GLY 29 1HA GLY 29 -5.885 9.774 -3.796 217 H SER 30 H SER 30 -4.334 9.042 -5.338 218 HA SER 30 HA SER 30 -4.990 6.528 -6.556 219 1HB SER 30 2HB SER 30 -4.455 7.263 -8.967 220 2HB SER 30 1HB SER 30 -5.989 7.887 -8.340 221 HG SER 30 HG SER 30 -5.166 9.821 -8.122 222 H CYS 31 H CYS 31 -3.293 5.348 -6.122 223 HA CYS 31 HA CYS 31 -0.811 6.262 -5.276 224 1HB CYS 31 2HB CYS 31 -2.035 3.743 -6.246 225 2HB CYS 31 1HB CYS 31 -0.324 3.710 -6.166 226 H GLN 32 H GLN 32 -0.190 7.938 -6.695 227 HA GLN 32 HA GLN 32 1.137 7.074 -9.182 228 1HB GLN 32 2HB GLN 32 -1.087 8.011 -9.557 229 2HB GLN 32 1HB GLN 32 -0.640 9.418 -8.665 230 1HG GLN 32 2HG GLN 32 -0.232 10.232 -10.771 231 2HG GLN 32 1HG GLN 32 1.340 9.468 -10.544 232 1HE2 GLN 32 2HE2 GLN 32 -1.017 8.232 -13.451 233 2HE2 GLN 32 1HE2 GLN 32 -1.291 9.650 -12.549 234 H THR 33 H THR 33 3.238 7.297 -8.940 235 HA THR 33 HA THR 33 4.189 9.242 -7.052 236 HB THR 33 HB THR 33 5.709 7.643 -7.001 237 HG1 THR 33 HG1 THR 33 7.464 8.718 -7.562 238 1HG2 THR 33 2HG2 THR 33 5.538 7.363 -9.991 239 2HG2 THR 33 1HG2 THR 33 6.521 6.348 -8.927 240 3HG2 THR 33 3HG2 THR 33 4.774 6.250 -8.817 241 H THR 34 H THR 34 3.065 10.993 -8.263 242 HA THR 34 HA THR 34 4.893 12.180 -10.247 243 HB THR 34 HB THR 34 2.933 11.003 -11.556 244 HG1 THR 34 HG1 THR 34 3.022 12.685 -12.853 245 1HG2 THR 34 1HG2 THR 34 1.284 11.481 -9.672 246 2HG2 THR 34 3HG2 THR 34 1.329 13.181 -10.094 247 3HG2 THR 34 2HG2 THR 34 0.702 12.024 -11.248 248 H ILE 35 H ILE 35 4.393 14.218 -10.815 249 HA ILE 35 HA ILE 35 4.311 16.484 -10.409 250 HB ILE 35 HB ILE 35 1.860 15.682 -9.540 251 1HG1 ILE 35 2HG1 ILE 35 3.046 18.402 -8.794 252 2HG1 ILE 35 1HG1 ILE 35 2.558 17.959 -10.412 253 1HG2 ILE 35 1HG2 ILE 35 2.558 15.124 -7.150 254 2HG2 ILE 35 3HG2 ILE 35 3.060 16.787 -6.966 255 3HG2 ILE 35 2HG2 ILE 35 1.378 16.363 -7.239 256 1HD1 ILE 35 3HD1 ILE 35 0.218 17.623 -9.632 257 2HD1 ILE 35 2HD1 ILE 35 0.675 18.130 -8.014 258 3HD1 ILE 35 1HD1 ILE 35 0.784 19.255 -9.342 259 H THR 36 H THR 36 4.492 14.517 -7.569 260 HA THR 36 HA THR 36 7.044 15.758 -6.729 261 HB THR 36 HB THR 36 6.073 15.838 -4.252 262 HG1 THR 36 HG1 THR 36 3.947 15.124 -5.821 263 1HG2 THR 36 1HG2 THR 36 4.695 17.687 -6.287 264 2HG2 THR 36 3HG2 THR 36 4.913 18.002 -4.576 265 3HG2 THR 36 2HG2 THR 36 6.287 17.946 -5.659 266 H GLY 37 H GLY 37 6.160 13.272 -7.970 267 1HA GLY 37 2HA GLY 37 6.220 11.169 -5.941 268 2HA GLY 37 1HA GLY 37 6.328 10.946 -7.693 269 H LEU 38 H LEU 38 8.426 13.119 -6.642 270 HA LEU 38 HA LEU 38 10.710 11.229 -6.411 271 1HB LEU 38 2HB LEU 38 10.692 12.218 -8.610 272 2HB LEU 38 1HB LEU 38 10.271 13.782 -7.971 273 HG LEU 38 HG LEU 38 12.593 13.978 -6.990 274 1HD1 LEU 38 2HD1 LEU 38 13.057 11.206 -8.203 275 2HD1 LEU 38 1HD1 LEU 38 14.271 12.210 -7.433 276 3HD1 LEU 38 3HD1 LEU 38 12.956 11.559 -6.484 277 1HD2 LEU 38 3HD2 LEU 38 12.614 13.059 -9.903 278 2HD2 LEU 38 2HD2 LEU 38 12.249 14.683 -9.354 279 3HD2 LEU 38 1HD2 LEU 38 13.860 14.024 -9.131 280 H PHE 39 H PHE 39 8.749 13.440 -4.888 281 HA PHE 39 HA PHE 39 10.974 14.539 -3.206 282 1HB PHE 39 2HB PHE 39 8.038 15.375 -3.331 283 2HB PHE 39 1HB PHE 39 9.289 16.160 -2.402 284 HD1 PHE 39 HD2 PHE 39 10.988 15.482 -5.399 285 HD2 PHE 39 HD1 PHE 39 7.842 17.925 -3.873 286 HE1 PHE 39 HE2 PHE 39 11.329 17.057 -7.217 287 HE2 PHE 39 HE1 PHE 39 8.204 19.511 -5.710 288 HZ PHE 39 HZ PHE 39 9.948 19.081 -7.385 289 H LYS 40 H LYS 40 10.535 11.897 -2.930 290 HA LYS 40 HA LYS 40 9.330 11.800 -0.243 291 1HB LYS 40 2HB LYS 40 7.653 10.987 -2.165 292 2HB LYS 40 1HB LYS 40 8.713 9.611 -2.321 293 1HG LYS 40 2HG LYS 40 6.977 8.946 -0.812 294 2HG LYS 40 1HG LYS 40 8.374 9.179 0.213 295 1HD LYS 40 2HD LYS 40 7.497 11.586 0.643 296 2HD LYS 40 1HD LYS 40 6.080 11.141 -0.279 297 1HE LYS 40 2HE LYS 40 5.624 9.291 1.385 298 2HE LYS 40 1HE LYS 40 6.986 9.863 2.345 299 1HZ LYS 40 1HZ LYS 40 5.302 12.056 1.702 300 2HZ LYS 40 3HZ LYS 40 4.345 10.830 2.321 301 3HZ LYS 40 2HZ LYS 40 5.664 11.421 3.244 302 H LYS 41 H LYS 41 10.159 9.905 0.916 303 HA LYS 41 HA LYS 41 12.572 8.711 -0.335 304 1HB LYS 41 2HB LYS 41 12.729 10.742 1.638 305 2HB LYS 41 1HB LYS 41 12.822 9.276 2.599 306 1HG LYS 41 2HG LYS 41 14.540 9.883 0.154 307 2HG LYS 41 1HG LYS 41 15.063 10.087 1.817 308 1HD LYS 41 2HD LYS 41 15.429 7.808 2.146 309 2HD LYS 41 1HD LYS 41 14.020 7.319 1.258 310 1HE LYS 41 2HE LYS 41 16.158 6.625 0.159 311 2HE LYS 41 1HE LYS 41 15.137 7.597 -0.883 312 1HZ LYS 41 2HZ LYS 41 16.776 9.321 0.622 313 2HZ LYS 41 1HZ LYS 41 17.769 8.138 -0.083 314 3HZ LYS 41 3HZ LYS 41 16.760 9.092 -1.057 315 H CYS 42 H CYS 42 12.440 6.577 -0.123 316 HA CYS 42 HA CYS 42 10.945 5.344 2.081 317 1HB CYS 42 2HB CYS 42 9.483 5.591 -0.095 318 2HB CYS 42 1HB CYS 42 10.645 4.559 -0.877 No H/Q in entry = 318 Start of MODEL 16 1 1H CYS 1 2H CYS 1 0.474 0.244 0.016 2 2H CYS 1 1H CYS 1 1.871 -0.486 0.653 3 3H CYS 1 3H CYS 1 1.896 1.152 0.161 4 HA CYS 1 HA CYS 1 2.516 0.612 -1.833 5 1HB CYS 1 2HB CYS 1 3.727 -1.028 -1.068 6 2HB CYS 1 1HB CYS 1 2.333 -2.110 -0.808 7 H ALA 2 H ALA 2 0.830 1.458 -2.990 8 HA ALA 2 HA ALA 2 -1.192 -0.454 -4.061 9 1HB ALA 2 1HB ALA 2 -1.503 2.568 -3.541 10 2HB ALA 2 3HB ALA 2 -2.736 1.524 -4.223 11 3HB ALA 2 2HB ALA 2 -2.237 1.314 -2.555 12 H LYS 3 H LYS 3 -1.748 0.394 -6.395 13 HA LYS 3 HA LYS 3 0.690 1.719 -7.540 14 1HB LYS 3 2HB LYS 3 -0.789 -0.719 -8.585 15 2HB LYS 3 1HB LYS 3 0.161 0.286 -9.657 16 1HG LYS 3 2HG LYS 3 2.115 -0.037 -7.958 17 2HG LYS 3 1HG LYS 3 1.132 -1.313 -7.257 18 1HD LYS 3 2HD LYS 3 1.073 -2.522 -9.441 19 2HD LYS 3 1HD LYS 3 1.877 -1.188 -10.233 20 1HE LYS 3 2HE LYS 3 3.571 -2.844 -9.882 21 2HE LYS 3 1HE LYS 3 3.897 -1.557 -8.743 22 1HZ LYS 3 1HZ LYS 3 2.174 -3.440 -7.513 23 2HZ LYS 3 3HZ LYS 3 3.484 -4.267 -8.196 24 3HZ LYS 3 2HZ LYS 3 3.745 -3.011 -7.082 25 H LYS 4 H LYS 4 0.444 2.825 -9.472 26 HA LYS 4 HA LYS 4 -1.610 4.624 -9.489 27 1HB LYS 4 2HB LYS 4 -0.939 5.189 -11.877 28 2HB LYS 4 1HB LYS 4 0.429 5.062 -10.829 29 1HG LYS 4 2HG LYS 4 -0.360 2.828 -12.754 30 2HG LYS 4 1HG LYS 4 0.714 4.138 -13.171 31 1HD LYS 4 2HD LYS 4 2.230 3.414 -11.211 32 2HD LYS 4 1HD LYS 4 1.208 1.997 -11.060 33 1HE LYS 4 2HE LYS 4 3.132 1.366 -12.392 34 2HE LYS 4 1HE LYS 4 1.707 1.333 -13.412 35 1HZ LYS 4 1HZ LYS 4 2.916 3.915 -13.569 36 2HZ LYS 4 3HZ LYS 4 4.088 2.744 -13.841 37 3HZ LYS 4 2HZ LYS 4 2.688 2.775 -14.796 38 H ARG 5 H ARG 5 -3.691 4.279 -9.684 39 HA ARG 5 HA ARG 5 -5.579 3.813 -11.301 40 1HB ARG 5 2HB ARG 5 -4.415 2.187 -12.652 41 2HB ARG 5 1HB ARG 5 -4.280 1.057 -11.293 42 1HG ARG 5 2HG ARG 5 -6.818 0.878 -11.331 43 2HG ARG 5 1HG ARG 5 -6.831 1.875 -12.771 44 1HD ARG 5 2HD ARG 5 -5.525 -0.872 -12.385 45 2HD ARG 5 1HD ARG 5 -6.801 -0.452 -13.519 46 HE ARG 5 HE ARG 5 -5.103 0.983 -14.724 47 1HH1 ARG 5 2HH1 ARG 5 -2.926 1.074 -12.818 48 2HH1 ARG 5 1HH1 ARG 5 -1.864 -0.182 -13.305 49 1HH2 ARG 5 1HH2 ARG 5 -4.401 -1.691 -15.300 50 2HH2 ARG 5 2HH2 ARG 5 -2.744 -1.866 -14.860 51 H ASN 6 H ASN 6 -4.305 1.657 -8.812 52 HA ASN 6 HA ASN 6 -7.102 1.540 -7.621 53 1HB ASN 6 2HB ASN 6 -5.306 -0.631 -8.243 54 2HB ASN 6 1HB ASN 6 -5.210 -0.441 -6.497 55 1HD2 ASN 6 2HD2 ASN 6 -8.355 -1.972 -6.059 56 2HD2 ASN 6 1HD2 ASN 6 -6.892 -1.472 -5.348 57 H TRP 7 H TRP 7 -6.527 3.571 -7.126 58 HA TRP 7 HA TRP 7 -4.431 4.525 -5.665 59 1HB TRP 7 2HB TRP 7 -5.795 6.370 -5.099 60 2HB TRP 7 1HB TRP 7 -6.403 5.819 -6.640 61 HD1 TRP 7 HD1 TRP 7 -7.374 4.745 -3.074 62 HE1 TRP 7 HE1 TRP 7 -9.821 5.041 -2.714 63 HE3 TRP 7 HE3 TRP 7 -8.494 6.693 -7.574 64 HZ2 TRP 7 HZ2 TRP 7 -11.962 5.953 -4.128 65 HZ3 TRP 7 HZ3 TRP 7 -10.856 7.294 -8.039 66 HH2 TRP 7 HH2 TRP 7 -12.587 6.921 -6.316 67 H CYS 8 H CYS 8 -4.570 5.567 -3.748 68 HA CYS 8 HA CYS 8 -4.953 3.796 -1.379 69 1HB CYS 8 2HB CYS 8 -3.050 5.645 -0.692 70 2HB CYS 8 1HB CYS 8 -2.710 4.103 -1.414 71 H GLY 9 H GLY 9 -5.811 6.744 -2.809 72 1HA GLY 9 2HA GLY 9 -7.678 8.122 -2.069 73 2HA GLY 9 1HA GLY 9 -7.431 7.506 -0.422 74 H LYS 10 H LYS 10 -5.001 7.742 0.189 75 HA LYS 10 HA LYS 10 -3.868 10.367 -0.446 76 1HB LYS 10 2HB LYS 10 -5.255 10.679 1.618 77 2HB LYS 10 1HB LYS 10 -4.671 9.160 2.269 78 1HG LYS 10 2HG LYS 10 -2.357 10.098 2.443 79 2HG LYS 10 1HG LYS 10 -2.947 11.655 1.884 80 1HD LYS 10 2HD LYS 10 -4.099 10.130 4.259 81 2HD LYS 10 1HD LYS 10 -2.749 11.216 4.438 82 1HE LYS 10 2HE LYS 10 -4.127 13.122 3.728 83 2HE LYS 10 1HE LYS 10 -5.447 12.074 3.244 84 1HZ LYS 10 1HZ LYS 10 -4.840 11.501 5.917 85 2HZ LYS 10 3HZ LYS 10 -4.947 13.188 5.786 86 3HZ LYS 10 2HZ LYS 10 -6.257 12.226 5.313 87 H ASN 11 H ASN 11 -1.760 10.245 -0.263 88 HA ASN 11 HA ASN 11 -0.303 8.166 -1.171 89 1HB ASN 11 2HB ASN 11 0.593 10.443 -0.663 90 2HB ASN 11 1HB ASN 11 0.632 10.034 1.050 91 1HD2 ASN 11 2HD2 ASN 11 3.843 8.722 0.559 92 2HD2 ASN 11 1HD2 ASN 11 2.841 9.737 1.486 93 H GLU 12 H GLU 12 -1.543 8.258 1.967 94 HA GLU 12 HA GLU 12 -0.327 6.898 3.800 95 1HB GLU 12 2HB GLU 12 -3.001 7.268 3.180 96 2HB GLU 12 1HB GLU 12 -2.913 5.518 3.180 97 1HG GLU 12 2HG GLU 12 -3.451 6.246 5.439 98 2HG GLU 12 1HG GLU 12 -1.813 5.640 5.467 99 H ASP 13 H ASP 13 -1.961 4.635 1.548 100 HA ASP 13 HA ASP 13 0.196 2.689 2.265 101 1HB ASP 13 2HB ASP 13 -2.651 2.192 1.286 102 2HB ASP 13 1HB ASP 13 -1.459 0.924 1.389 103 H CYS 14 H CYS 14 0.737 4.647 0.160 104 HA CYS 14 HA CYS 14 0.386 3.200 -2.413 105 1HB CYS 14 2HB CYS 14 0.484 5.729 -2.173 106 2HB CYS 14 1HB CYS 14 2.190 5.564 -1.821 107 H CYS 15 H CYS 15 2.204 2.855 -3.730 108 HA CYS 15 HA CYS 15 4.396 1.404 -2.319 109 1HB CYS 15 2HB CYS 15 2.583 0.360 -4.168 110 2HB CYS 15 1HB CYS 15 3.861 0.886 -5.214 111 H CYS 16 H CYS 16 5.872 2.781 -2.206 112 HA CYS 16 HA CYS 16 6.601 5.058 -3.448 113 1HB CYS 16 2HB CYS 16 8.844 3.158 -2.887 114 2HB CYS 16 1HB CYS 16 8.659 4.817 -2.414 115 HA PRO 17 HA PRO 17 7.833 6.348 -4.210 116 1HB PRO 17 2HB PRO 17 9.596 7.660 -5.674 117 2HB PRO 17 1HB PRO 17 10.178 6.151 -4.938 118 1HG PRO 17 2HG PRO 17 9.222 6.614 -7.823 119 2HG PRO 17 1HG PRO 17 10.556 5.596 -7.281 120 1HD PRO 17 2HD PRO 17 7.797 4.738 -7.733 121 2HD PRO 17 1HD PRO 17 9.103 3.747 -7.072 122 H MET 18 H MET 18 5.752 6.486 -4.504 123 HA MET 18 HA MET 18 4.843 8.513 -6.490 124 1HB MET 18 2HB MET 18 3.772 5.952 -5.717 125 2HB MET 18 1HB MET 18 2.783 7.123 -6.576 126 1HG MET 18 2HG MET 18 3.704 6.371 -8.562 127 2HG MET 18 1HG MET 18 5.279 6.764 -7.919 128 1HE MET 18 3HE MET 18 2.481 4.447 -7.716 129 2HE MET 18 2HE MET 18 3.137 2.900 -7.183 130 3HE MET 18 1HE MET 18 3.095 4.233 -6.063 131 H LYS 19 H LYS 19 2.911 9.279 -5.986 132 HA LYS 19 HA LYS 19 2.216 9.322 -3.038 133 1HB LYS 19 2HB LYS 19 3.498 11.368 -3.662 134 2HB LYS 19 1HB LYS 19 2.353 11.701 -4.943 135 1HG LYS 19 2HG LYS 19 0.987 12.824 -3.534 136 2HG LYS 19 1HG LYS 19 0.809 11.430 -2.507 137 1HD LYS 19 2HD LYS 19 2.743 11.988 -1.195 138 2HD LYS 19 1HD LYS 19 3.273 13.206 -2.328 139 1HE LYS 19 2HE LYS 19 1.120 14.515 -1.782 140 2HE LYS 19 1HE LYS 19 0.855 13.359 -0.484 141 1HZ LYS 19 2HZ LYS 19 3.527 14.226 -0.311 142 2HZ LYS 19 1HZ LYS 19 2.575 15.588 -0.541 143 3HZ LYS 19 3HZ LYS 19 2.244 14.568 0.768 144 H CYS 20 H CYS 20 -0.271 9.651 -2.732 145 HA CYS 20 HA CYS 20 -1.565 8.639 -5.156 146 1HB CYS 20 2HB CYS 20 -2.111 8.633 -2.347 147 2HB CYS 20 1HB CYS 20 -3.359 9.642 -3.016 148 H ILE 21 H ILE 21 -2.513 10.010 -6.636 149 HA ILE 21 HA ILE 21 -2.342 12.909 -6.048 150 HB ILE 21 HB ILE 21 -2.588 11.499 -8.724 151 1HG1 ILE 21 2HG1 ILE 21 -0.557 10.587 -7.719 152 2HG1 ILE 21 1HG1 ILE 21 -0.143 11.900 -8.836 153 1HG2 ILE 21 3HG2 ILE 21 -1.546 14.294 -8.023 154 2HG2 ILE 21 2HG2 ILE 21 -1.504 13.571 -9.614 155 3HG2 ILE 21 1HG2 ILE 21 -3.037 13.946 -8.890 156 1HD1 ILE 21 3HD1 ILE 21 -0.217 12.284 -5.870 157 2HD1 ILE 21 2HD1 ILE 21 1.215 11.924 -6.831 158 3HD1 ILE 21 1HD1 ILE 21 0.240 13.321 -7.206 159 H TYR 22 H TYR 22 -3.835 14.214 -7.175 160 HA TYR 22 HA TYR 22 -6.629 13.222 -7.012 161 1HB TYR 22 2HB TYR 22 -5.439 15.960 -6.286 162 2HB TYR 22 1HB TYR 22 -7.106 15.453 -5.982 163 HD1 TYR 22 HD1 TYR 22 -7.558 13.646 -4.356 164 HD2 TYR 22 HD2 TYR 22 -3.576 15.000 -4.951 165 HE1 TYR 22 HE1 TYR 22 -6.839 12.414 -2.385 166 HE2 TYR 22 HE2 TYR 22 -2.851 13.769 -2.983 167 HH TYR 22 HH TYR 22 -5.009 11.526 -1.394 168 H ALA 23 H ALA 23 -8.125 14.536 -8.371 169 HA ALA 23 HA ALA 23 -6.866 15.744 -10.772 170 1HB ALA 23 3HB ALA 23 -7.344 13.305 -11.249 171 2HB ALA 23 2HB ALA 23 -9.023 13.549 -10.785 172 3HB ALA 23 1HB ALA 23 -8.379 14.331 -12.218 173 H TRP 24 H TRP 24 -9.060 16.503 -12.091 174 HA TRP 24 HA TRP 24 -10.175 18.703 -10.837 175 1HB TRP 24 2HB TRP 24 -11.960 18.618 -12.480 176 2HB TRP 24 1HB TRP 24 -10.541 17.975 -13.281 177 HD1 TRP 24 HD1 TRP 24 -10.728 15.272 -14.015 178 HE1 TRP 24 HE1 TRP 24 -12.607 13.616 -13.903 179 HE3 TRP 24 HE3 TRP 24 -13.810 17.974 -11.152 180 HZ2 TRP 24 HZ2 TRP 24 -15.136 13.475 -12.693 181 HZ3 TRP 24 HZ3 TRP 24 -15.962 17.079 -10.494 182 HH2 TRP 24 HH2 TRP 24 -16.663 14.797 -11.267 183 H TYR 25 H TYR 25 -11.131 15.451 -10.433 184 HA TYR 25 HA TYR 25 -13.558 15.496 -9.178 185 1HB TYR 25 2HB TYR 25 -11.193 13.683 -9.032 186 2HB TYR 25 1HB TYR 25 -12.239 13.551 -7.644 187 HD1 TYR 25 HD1 TYR 25 -14.856 13.568 -8.257 188 HD2 TYR 25 HD2 TYR 25 -11.755 12.300 -10.892 189 HE1 TYR 25 HE1 TYR 25 -16.470 12.258 -9.502 190 HE2 TYR 25 HE2 TYR 25 -13.389 10.978 -12.140 191 HH TYR 25 HH TYR 25 -16.829 11.009 -11.401 192 H ASN 26 H ASN 26 -14.101 15.025 -6.941 193 HA ASN 26 HA ASN 26 -12.782 16.961 -5.087 194 1HB ASN 26 2HB ASN 26 -15.154 17.477 -5.844 195 2HB ASN 26 1HB ASN 26 -15.662 15.995 -5.040 196 1HD2 ASN 26 2HD2 ASN 26 -15.172 19.261 -2.816 197 2HD2 ASN 26 1HD2 ASN 26 -15.192 19.317 -4.513 198 H GLN 27 H GLN 27 -11.352 15.415 -4.437 199 HA GLN 27 HA GLN 27 -10.561 14.210 -2.554 200 1HB GLN 27 2HB GLN 27 -13.362 12.944 -2.348 201 2HB GLN 27 1HB GLN 27 -12.063 12.745 -1.208 202 1HG GLN 27 2HG GLN 27 -12.114 15.014 -0.474 203 2HG GLN 27 1HG GLN 27 -13.140 15.534 -1.792 204 1HE2 GLN 27 2HE2 GLN 27 -16.062 14.796 -0.053 205 2HE2 GLN 27 1HE2 GLN 27 -15.299 15.619 -1.338 206 H GLN 28 H GLN 28 -10.424 11.801 -2.092 207 HA GLN 28 HA GLN 28 -9.945 9.605 -2.714 208 1HB GLN 28 2HB GLN 28 -11.095 10.364 -5.515 209 2HB GLN 28 1HB GLN 28 -10.706 8.768 -4.958 210 1HG GLN 28 2HG GLN 28 -12.523 8.611 -3.471 211 2HG GLN 28 1HG GLN 28 -12.664 10.343 -3.250 212 1HE2 GLN 28 2HE2 GLN 28 -15.450 10.112 -5.431 213 2HE2 GLN 28 1HE2 GLN 28 -14.943 10.493 -3.855 214 H GLY 29 H GLY 29 -8.052 8.688 -3.839 215 1HA GLY 29 2HA GLY 29 -6.361 10.790 -5.115 216 2HA GLY 29 1HA GLY 29 -5.694 9.773 -3.860 217 H SER 30 H SER 30 -4.049 9.070 -5.392 218 HA SER 30 HA SER 30 -4.458 6.575 -6.560 219 1HB SER 30 2HB SER 30 -5.920 7.582 -8.271 220 2HB SER 30 1HB SER 30 -4.661 8.782 -8.647 221 HG SER 30 HG SER 30 -3.679 7.287 -9.810 222 H CYS 31 H CYS 31 -2.466 5.963 -6.129 223 HA CYS 31 HA CYS 31 -0.088 7.168 -5.904 224 1HB CYS 31 2HB CYS 31 -0.798 4.542 -7.076 225 2HB CYS 31 1HB CYS 31 0.856 4.998 -6.903 226 H GLN 32 H GLN 32 0.686 8.893 -7.387 227 HA GLN 32 HA GLN 32 1.334 7.857 -10.126 228 1HB GLN 32 2HB GLN 32 1.073 10.784 -9.617 229 2HB GLN 32 1HB GLN 32 1.063 9.952 -11.124 230 1HG GLN 32 2HG GLN 32 -1.303 9.699 -9.248 231 2HG GLN 32 1HG GLN 32 -1.235 10.826 -10.561 232 1HE2 GLN 32 2HE2 GLN 32 -1.546 8.179 -12.948 233 2HE2 GLN 32 1HE2 GLN 32 -0.648 9.617 -12.719 234 H THR 33 H THR 33 3.381 8.598 -10.913 235 HA THR 33 HA THR 33 4.988 8.733 -8.593 236 HB THR 33 HB THR 33 6.654 9.155 -11.069 237 HG1 THR 33 HG1 THR 33 5.502 8.156 -12.492 238 1HG2 THR 33 3HG2 THR 33 7.032 7.755 -9.116 239 2HG2 THR 33 2HG2 THR 33 5.812 6.634 -9.760 240 3HG2 THR 33 1HG2 THR 33 7.297 6.966 -10.671 241 H THR 34 H THR 34 3.797 11.042 -8.303 242 HA THR 34 HA THR 34 6.032 12.765 -8.787 243 HB THR 34 HB THR 34 4.656 13.147 -10.911 244 HG1 THR 34 HG1 THR 34 4.932 15.258 -10.694 245 1HG2 THR 34 2HG2 THR 34 2.446 13.873 -8.903 246 2HG2 THR 34 1HG2 THR 34 2.285 13.898 -10.658 247 3HG2 THR 34 3HG2 THR 34 2.515 12.378 -9.813 248 H ILE 35 H ILE 35 5.601 15.005 -8.146 249 HA ILE 35 HA ILE 35 5.287 16.599 -6.503 250 HB ILE 35 HB ILE 35 2.807 15.357 -6.393 251 1HG1 ILE 35 2HG1 ILE 35 3.934 17.229 -4.231 252 2HG1 ILE 35 1HG1 ILE 35 3.399 17.759 -5.807 253 1HG2 ILE 35 3HG2 ILE 35 3.597 13.568 -4.711 254 2HG2 ILE 35 2HG2 ILE 35 3.974 14.870 -3.615 255 3HG2 ILE 35 1HG2 ILE 35 2.314 14.562 -4.124 256 1HD1 ILE 35 2HD1 ILE 35 1.091 16.955 -5.309 257 2HD1 ILE 35 1HD1 ILE 35 1.604 16.491 -3.691 258 3HD1 ILE 35 3HD1 ILE 35 1.634 18.175 -4.169 259 H THR 36 H THR 36 5.226 13.290 -5.412 260 HA THR 36 HA THR 36 7.836 13.565 -4.051 261 HB THR 36 HB THR 36 5.375 12.393 -2.591 262 HG1 THR 36 HG1 THR 36 6.378 14.993 -2.918 263 1HG2 THR 36 2HG2 THR 36 7.729 11.738 -1.806 264 2HG2 THR 36 1HG2 THR 36 8.075 13.440 -1.559 265 3HG2 THR 36 3HG2 THR 36 6.825 12.646 -0.609 266 H GLY 37 H GLY 37 6.912 12.474 -6.499 267 1HA GLY 37 2HA GLY 37 6.973 9.568 -5.931 268 2HA GLY 37 1HA GLY 37 6.293 10.259 -7.382 269 H LEU 38 H LEU 38 9.212 11.096 -5.867 270 HA LEU 38 HA LEU 38 10.915 9.533 -7.651 271 1HB LEU 38 2HB LEU 38 10.274 11.280 -9.194 272 2HB LEU 38 1HB LEU 38 10.603 12.538 -8.040 273 HG LEU 38 HG LEU 38 13.092 11.908 -8.179 274 1HD1 LEU 38 1HD1 LEU 38 12.116 9.933 -10.310 275 2HD1 LEU 38 3HD1 LEU 38 13.794 10.263 -9.926 276 3HD1 LEU 38 2HD1 LEU 38 12.773 9.475 -8.748 277 1HD2 LEU 38 2HD2 LEU 38 12.166 13.635 -9.725 278 2HD2 LEU 38 1HD2 LEU 38 13.453 12.721 -10.488 279 3HD2 LEU 38 3HD2 LEU 38 11.780 12.381 -10.887 280 H PHE 39 H PHE 39 11.245 12.604 -6.030 281 HA PHE 39 HA PHE 39 13.717 11.751 -4.619 282 1HB PHE 39 2HB PHE 39 13.594 14.322 -3.952 283 2HB PHE 39 1HB PHE 39 13.976 13.938 -5.623 284 HD1 PHE 39 HD2 PHE 39 11.294 15.146 -3.346 285 HD2 PHE 39 HD1 PHE 39 12.321 14.273 -7.394 286 HE1 PHE 39 HE2 PHE 39 9.268 16.288 -4.116 287 HE2 PHE 39 HE1 PHE 39 10.286 15.413 -8.152 288 HZ PHE 39 HZ PHE 39 8.757 16.427 -6.509 289 H LYS 40 H LYS 40 11.880 10.302 -3.709 290 HA LYS 40 HA LYS 40 10.728 11.612 -1.276 291 1HB LYS 40 2HB LYS 40 9.061 10.481 -2.789 292 2HB LYS 40 1HB LYS 40 9.940 8.981 -2.641 293 1HG LYS 40 2HG LYS 40 9.498 8.884 -0.224 294 2HG LYS 40 1HG LYS 40 8.636 10.413 -0.263 295 1HD LYS 40 2HD LYS 40 6.905 9.354 -1.695 296 2HD LYS 40 1HD LYS 40 7.786 7.842 -1.698 297 1HE LYS 40 2HE LYS 40 6.607 9.265 0.768 298 2HE LYS 40 1HE LYS 40 6.057 7.745 0.073 299 1HZ LYS 40 2HZ LYS 40 8.771 7.422 0.585 300 2HZ LYS 40 1HZ LYS 40 8.197 8.109 1.976 301 3HZ LYS 40 3HZ LYS 40 7.519 6.685 1.378 302 H LYS 41 H LYS 41 10.582 10.359 0.584 303 HA LYS 41 HA LYS 41 12.960 8.647 1.168 304 1HB LYS 41 2HB LYS 41 11.297 10.363 3.119 305 2HB LYS 41 1HB LYS 41 12.811 9.576 3.470 306 1HG LYS 41 2HG LYS 41 12.540 11.787 1.357 307 2HG LYS 41 1HG LYS 41 12.913 12.132 3.022 308 1HD LYS 41 2HD LYS 41 14.611 10.178 1.423 309 2HD LYS 41 1HD LYS 41 14.864 11.906 1.282 310 1HE LYS 41 2HE LYS 41 15.215 12.072 3.762 311 2HE LYS 41 1HE LYS 41 14.969 10.341 3.920 312 1HZ LYS 41 3HZ LYS 41 16.919 10.742 1.957 313 2HZ LYS 41 2HZ LYS 41 17.354 11.704 3.290 314 3HZ LYS 41 1HZ LYS 41 17.109 10.036 3.480 315 H CYS 42 H CYS 42 11.957 6.625 0.813 316 HA CYS 42 HA CYS 42 9.451 6.082 2.332 317 1HB CYS 42 2HB CYS 42 9.745 6.165 -0.541 318 2HB CYS 42 1HB CYS 42 9.973 4.506 -0.146 No H/Q in entry = 318 Start of MODEL 17 1 1H CYS 1 2H CYS 1 0.542 -0.680 0.489 2 2H CYS 1 1H CYS 1 2.013 -1.137 1.174 3 3H CYS 1 3H CYS 1 1.582 0.495 1.030 4 HA CYS 1 HA CYS 1 2.646 0.543 -0.963 5 1HB CYS 1 2HB CYS 1 3.121 -2.219 -0.235 6 2HB CYS 1 1HB CYS 1 2.995 -1.964 -1.960 7 H ALA 2 H ALA 2 1.306 1.099 -2.714 8 HA ALA 2 HA ALA 2 -0.565 -0.931 -3.827 9 1HB ALA 2 2HB ALA 2 -1.926 0.822 -2.575 10 2HB ALA 2 1HB ALA 2 -1.188 2.075 -3.557 11 3HB ALA 2 3HB ALA 2 -2.208 0.865 -4.301 12 H LYS 3 H LYS 3 -1.029 -0.313 -6.132 13 HA LYS 3 HA LYS 3 1.367 1.031 -7.316 14 1HB LYS 3 2HB LYS 3 -0.301 -1.265 -8.407 15 2HB LYS 3 1HB LYS 3 0.977 -0.500 -9.309 16 1HG LYS 3 2HG LYS 3 1.301 -1.924 -6.630 17 2HG LYS 3 1HG LYS 3 1.740 -2.630 -8.158 18 1HD LYS 3 2HD LYS 3 3.137 -0.110 -8.119 19 2HD LYS 3 1HD LYS 3 3.171 -0.646 -6.454 20 1HE LYS 3 2HE LYS 3 5.153 -1.461 -7.728 21 2HE LYS 3 1HE LYS 3 4.192 -2.786 -7.100 22 1HZ LYS 3 1HZ LYS 3 3.139 -2.059 -9.603 23 2HZ LYS 3 3HZ LYS 3 4.812 -2.187 -9.789 24 3HZ LYS 3 2HZ LYS 3 3.924 -3.510 -9.213 25 H LYS 4 H LYS 4 1.078 2.204 -9.256 26 HA LYS 4 HA LYS 4 -1.193 3.850 -9.169 27 1HB LYS 4 2HB LYS 4 -0.366 4.781 -11.348 28 2HB LYS 4 1HB LYS 4 0.971 4.524 -10.253 29 1HG LYS 4 2HG LYS 4 1.466 2.306 -11.348 30 2HG LYS 4 1HG LYS 4 0.182 2.560 -12.497 31 1HD LYS 4 2HD LYS 4 2.700 4.244 -12.222 32 2HD LYS 4 1HD LYS 4 2.410 3.034 -13.454 33 1HE LYS 4 2HE LYS 4 0.362 4.497 -14.171 34 2HE LYS 4 1HE LYS 4 1.011 5.729 -13.101 35 1HZ LYS 4 3HZ LYS 4 3.122 4.793 -14.729 36 2HZ LYS 4 2HZ LYS 4 1.807 5.186 -15.736 37 3HZ LYS 4 1HZ LYS 4 2.422 6.340 -14.669 38 H ARG 5 H ARG 5 -3.058 3.755 -10.356 39 HA ARG 5 HA ARG 5 -4.430 3.076 -12.263 40 1HB ARG 5 2HB ARG 5 -2.928 0.958 -12.755 41 2HB ARG 5 1HB ARG 5 -3.773 0.180 -11.434 42 1HG ARG 5 2HG ARG 5 -4.729 -0.353 -13.712 43 2HG ARG 5 1HG ARG 5 -5.909 0.417 -12.666 44 1HD ARG 5 2HD ARG 5 -5.649 2.562 -13.766 45 2HD ARG 5 1HD ARG 5 -4.168 2.047 -14.577 46 HE ARG 5 HE ARG 5 -6.830 0.805 -15.233 47 1HH1 ARG 5 2HH1 ARG 5 -5.049 -0.372 -16.888 48 2HH1 ARG 5 1HH1 ARG 5 -4.794 0.649 -18.249 49 1HH2 ARG 5 1HH2 ARG 5 -5.994 3.435 -16.361 50 2HH2 ARG 5 2HH2 ARG 5 -5.373 3.025 -17.926 51 H ASN 6 H ASN 6 -4.051 1.462 -9.179 52 HA ASN 6 HA ASN 6 -7.006 1.800 -8.529 53 1HB ASN 6 2HB ASN 6 -5.414 -0.622 -8.270 54 2HB ASN 6 1HB ASN 6 -5.202 0.191 -6.725 55 1HD2 ASN 6 2HD2 ASN 6 -8.482 -1.873 -6.966 56 2HD2 ASN 6 1HD2 ASN 6 -6.961 -2.283 -7.601 57 H TRP 7 H TRP 7 -7.282 3.102 -6.730 58 HA TRP 7 HA TRP 7 -4.714 4.491 -6.208 59 1HB TRP 7 2HB TRP 7 -5.982 6.334 -5.588 60 2HB TRP 7 1HB TRP 7 -6.428 5.814 -7.210 61 HD1 TRP 7 HD1 TRP 7 -7.910 4.841 -3.825 62 HE1 TRP 7 HE1 TRP 7 -10.315 5.659 -3.719 63 HE3 TRP 7 HE3 TRP 7 -8.156 6.857 -8.383 64 HZ2 TRP 7 HZ2 TRP 7 -12.051 6.856 -5.358 65 HZ3 TRP 7 HZ3 TRP 7 -10.309 7.860 -9.155 66 HH2 TRP 7 HH2 TRP 7 -12.267 7.861 -7.644 67 H CYS 8 H CYS 8 -4.616 5.650 -4.470 68 HA CYS 8 HA CYS 8 -4.632 4.060 -2.012 69 1HB CYS 8 2HB CYS 8 -3.040 6.168 -1.592 70 2HB CYS 8 1HB CYS 8 -2.531 4.835 -2.571 71 H GLY 9 H GLY 9 -5.680 7.123 -3.313 72 1HA GLY 9 2HA GLY 9 -7.707 8.293 -2.660 73 2HA GLY 9 1HA GLY 9 -7.715 7.400 -1.126 74 H LYS 10 H LYS 10 -5.231 7.544 -0.347 75 HA LYS 10 HA LYS 10 -4.165 10.286 -0.235 76 1HB LYS 10 2HB LYS 10 -5.529 10.296 1.849 77 2HB LYS 10 1HB LYS 10 -5.346 8.563 2.060 78 1HG LYS 10 2HG LYS 10 -2.891 8.920 2.576 79 2HG LYS 10 1HG LYS 10 -3.137 10.629 2.592 80 1HD LYS 10 2HD LYS 10 -4.471 8.495 4.311 81 2HD LYS 10 1HD LYS 10 -3.089 9.469 4.770 82 1HE LYS 10 2HE LYS 10 -4.475 11.493 4.802 83 2HE LYS 10 1HE LYS 10 -5.860 10.579 4.209 84 1HZ LYS 10 2HZ LYS 10 -4.859 9.215 6.449 85 2HZ LYS 10 1HZ LYS 10 -4.962 10.816 6.900 86 3HZ LYS 10 3HZ LYS 10 -6.334 10.000 6.317 87 H ASN 11 H ASN 11 -2.097 10.365 0.484 88 HA ASN 11 HA ASN 11 -0.675 8.071 -0.573 89 1HB ASN 11 2HB ASN 11 0.127 10.502 -0.857 90 2HB ASN 11 1HB ASN 11 0.626 10.430 0.836 91 1HD2 ASN 11 2HD2 ASN 11 3.616 8.894 -0.313 92 2HD2 ASN 11 1HD2 ASN 11 2.951 10.117 0.683 93 H GLU 12 H GLU 12 -2.021 7.213 1.594 94 HA GLU 12 HA GLU 12 -0.126 7.008 3.874 95 1HB GLU 12 2HB GLU 12 -3.049 7.006 3.633 96 2HB GLU 12 1HB GLU 12 -2.554 5.493 4.329 97 1HG GLU 12 2HG GLU 12 -1.410 6.529 6.180 98 2HG GLU 12 1HG GLU 12 -1.496 8.116 5.440 99 H ASP 13 H ASP 13 -2.038 4.785 1.714 100 HA ASP 13 HA ASP 13 0.121 2.778 2.309 101 1HB ASP 13 2HB ASP 13 -2.400 2.395 3.152 102 2HB ASP 13 1HB ASP 13 -2.612 1.801 1.503 103 H CYS 14 H CYS 14 0.977 4.056 0.439 104 HA CYS 14 HA CYS 14 0.333 2.747 -2.195 105 1HB CYS 14 2HB CYS 14 1.402 5.510 -1.451 106 2HB CYS 14 1HB CYS 14 1.980 4.792 -2.909 107 H CYS 15 H CYS 15 2.299 2.450 -3.514 108 HA CYS 15 HA CYS 15 4.466 1.463 -1.682 109 1HB CYS 15 2HB CYS 15 3.109 0.038 -3.599 110 2HB CYS 15 1HB CYS 15 4.308 0.787 -4.598 111 H CYS 16 H CYS 16 5.967 2.817 -1.561 112 HA CYS 16 HA CYS 16 6.211 5.182 -3.100 113 1HB CYS 16 2HB CYS 16 8.398 5.326 -1.912 114 2HB CYS 16 1HB CYS 16 7.009 5.100 -0.888 115 HA PRO 17 HA PRO 17 7.678 6.577 -3.425 116 1HB PRO 17 2HB PRO 17 9.107 8.099 -4.937 117 2HB PRO 17 1HB PRO 17 9.944 6.826 -4.009 118 1HG PRO 17 2HG PRO 17 9.106 6.787 -6.969 119 2HG PRO 17 1HG PRO 17 10.652 6.282 -6.286 120 1HD PRO 17 2HD PRO 17 8.451 4.531 -6.765 121 2HD PRO 17 1HD PRO 17 9.812 4.141 -5.702 122 H MET 18 H MET 18 5.571 6.905 -3.690 123 HA MET 18 HA MET 18 4.536 8.126 -6.192 124 1HB MET 18 2HB MET 18 4.398 5.471 -5.806 125 2HB MET 18 1HB MET 18 2.976 5.963 -4.916 126 1HG MET 18 2HG MET 18 2.079 7.083 -6.847 127 2HG MET 18 1HG MET 18 3.516 6.687 -7.791 128 1HE MET 18 1HE MET 18 2.877 3.944 -5.618 129 2HE MET 18 3HE MET 18 2.684 2.710 -6.829 130 3HE MET 18 2HE MET 18 4.067 3.805 -6.929 131 H LYS 19 H LYS 19 2.743 9.305 -5.770 132 HA LYS 19 HA LYS 19 2.034 9.537 -2.848 133 1HB LYS 19 2HB LYS 19 3.397 11.605 -3.643 134 2HB LYS 19 1HB LYS 19 2.037 11.976 -4.694 135 1HG LYS 19 2HG LYS 19 0.471 11.793 -2.664 136 2HG LYS 19 1HG LYS 19 1.894 11.572 -1.660 137 1HD LYS 19 2HD LYS 19 2.554 13.841 -1.919 138 2HD LYS 19 1HD LYS 19 1.468 14.059 -3.279 139 1HE LYS 19 2HE LYS 19 0.439 13.420 -0.478 140 2HE LYS 19 1HE LYS 19 0.549 15.036 -1.159 141 1HZ LYS 19 3HZ LYS 19 -0.686 13.418 -3.101 142 2HZ LYS 19 2HZ LYS 19 -1.494 13.080 -1.704 143 3HZ LYS 19 1HZ LYS 19 -1.375 14.678 -2.233 144 H CYS 20 H CYS 20 -0.397 9.989 -2.520 145 HA CYS 20 HA CYS 20 -1.756 9.138 -4.924 146 1HB CYS 20 2HB CYS 20 -2.227 8.960 -2.218 147 2HB CYS 20 1HB CYS 20 -3.158 10.396 -2.518 148 H ILE 21 H ILE 21 -2.370 10.513 -6.366 149 HA ILE 21 HA ILE 21 -2.006 13.444 -6.190 150 HB ILE 21 HB ILE 21 -2.595 11.714 -8.642 151 1HG1 ILE 21 2HG1 ILE 21 -0.493 10.848 -7.961 152 2HG1 ILE 21 1HG1 ILE 21 -0.262 11.923 -9.348 153 1HG2 ILE 21 2HG2 ILE 21 -1.428 14.507 -8.537 154 2HG2 ILE 21 1HG2 ILE 21 -1.619 13.537 -9.984 155 3HG2 ILE 21 3HG2 ILE 21 -3.033 14.049 -9.113 156 1HD1 ILE 21 2HD1 ILE 21 0.561 13.705 -7.850 157 2HD1 ILE 21 1HD1 ILE 21 0.219 12.583 -6.542 158 3HD1 ILE 21 3HD1 ILE 21 1.502 12.224 -7.646 159 H TYR 22 H TYR 22 -3.823 14.492 -7.500 160 HA TYR 22 HA TYR 22 -6.382 13.056 -7.043 161 1HB TYR 22 2HB TYR 22 -5.407 15.814 -6.292 162 2HB TYR 22 1HB TYR 22 -7.127 15.373 -6.135 163 HD1 TYR 22 HD2 TYR 22 -7.737 13.480 -4.588 164 HD2 TYR 22 HD1 TYR 22 -3.741 14.964 -4.811 165 HE1 TYR 22 HE2 TYR 22 -7.158 12.225 -2.572 166 HE2 TYR 22 HE1 TYR 22 -3.199 13.694 -2.785 167 HH TYR 22 HH TYR 22 -5.519 11.659 -1.240 168 H ALA 23 H ALA 23 -8.157 14.077 -8.297 169 HA ALA 23 HA ALA 23 -7.116 15.055 -10.937 170 1HB ALA 23 2HB ALA 23 -8.223 12.763 -11.011 171 2HB ALA 23 1HB ALA 23 -9.679 13.464 -10.324 172 3HB ALA 23 3HB ALA 23 -9.139 13.947 -11.926 173 H TRP 24 H TRP 24 -9.125 16.300 -11.968 174 HA TRP 24 HA TRP 24 -9.535 18.722 -10.682 175 1HB TRP 24 2HB TRP 24 -11.288 19.146 -12.236 176 2HB TRP 24 1HB TRP 24 -10.316 17.952 -13.069 177 HD1 TRP 24 HD1 TRP 24 -11.536 15.433 -13.395 178 HE1 TRP 24 HE1 TRP 24 -13.890 14.655 -13.000 179 HE3 TRP 24 HE3 TRP 24 -13.155 19.425 -10.836 180 HZ2 TRP 24 HZ2 TRP 24 -16.185 15.633 -11.749 181 HZ3 TRP 24 HZ3 TRP 24 -15.451 19.496 -10.020 182 HH2 TRP 24 HH2 TRP 24 -17.001 17.588 -10.475 183 H TYR 25 H TYR 25 -11.203 15.806 -10.063 184 HA TYR 25 HA TYR 25 -13.404 16.648 -8.566 185 1HB TYR 25 2HB TYR 25 -11.845 14.123 -8.794 186 2HB TYR 25 1HB TYR 25 -12.685 14.251 -7.275 187 HD1 TYR 25 HD2 TYR 25 -15.180 15.219 -7.496 188 HD2 TYR 25 HD1 TYR 25 -13.061 13.215 -10.599 189 HE1 TYR 25 HE2 TYR 25 -17.281 14.679 -8.535 190 HE2 TYR 25 HE1 TYR 25 -15.196 12.662 -11.658 191 HH TYR 25 HH TYR 25 -18.160 12.940 -10.153 192 H ASN 26 H ASN 26 -13.722 15.965 -6.230 193 HA ASN 26 HA ASN 26 -11.527 17.003 -4.497 194 1HB ASN 26 2HB ASN 26 -13.299 18.739 -5.197 195 2HB ASN 26 1HB ASN 26 -14.423 17.837 -4.186 196 1HD2 ASN 26 2HD2 ASN 26 -12.809 18.847 -1.130 197 2HD2 ASN 26 1HD2 ASN 26 -13.810 17.652 -1.821 198 H GLN 27 H GLN 27 -12.004 14.316 -4.691 199 HA GLN 27 HA GLN 27 -13.118 13.721 -1.993 200 1HB GLN 27 2HB GLN 27 -14.018 12.409 -4.594 201 2HB GLN 27 1HB GLN 27 -14.136 11.556 -3.070 202 1HG GLN 27 2HG GLN 27 -15.549 13.505 -2.198 203 2HG GLN 27 1HG GLN 27 -15.550 14.144 -3.839 204 1HE2 GLN 27 2HE2 GLN 27 -18.169 11.930 -4.712 205 2HE2 GLN 27 1HE2 GLN 27 -17.438 13.446 -4.954 206 H GLN 28 H GLN 28 -12.054 11.584 -4.614 207 HA GLN 28 HA GLN 28 -9.957 10.549 -2.757 208 1HB GLN 28 2HB GLN 28 -10.959 9.195 -5.271 209 2HB GLN 28 1HB GLN 28 -10.105 8.453 -3.934 210 1HG GLN 28 2HG GLN 28 -12.239 7.798 -3.254 211 2HG GLN 28 1HG GLN 28 -12.334 9.423 -2.607 212 1HE2 GLN 28 2HE2 GLN 28 -15.001 8.562 -5.305 213 2HE2 GLN 28 1HE2 GLN 28 -14.269 7.438 -4.262 214 H GLY 29 H GLY 29 -8.227 9.369 -4.325 215 1HA GLY 29 2HA GLY 29 -7.401 11.191 -6.514 216 2HA GLY 29 1HA GLY 29 -6.338 11.123 -5.095 217 H SER 30 H SER 30 -5.058 10.225 -7.342 218 HA SER 30 HA SER 30 -5.241 7.289 -7.027 219 1HB SER 30 2HB SER 30 -4.580 7.225 -9.562 220 2HB SER 30 1HB SER 30 -6.197 7.875 -9.274 221 HG SER 30 HG SER 30 -4.217 9.110 -10.419 222 H CYS 31 H CYS 31 -3.304 6.119 -7.156 223 HA CYS 31 HA CYS 31 -1.083 7.667 -6.096 224 1HB CYS 31 2HB CYS 31 -1.824 5.077 -5.707 225 2HB CYS 31 1HB CYS 31 -0.729 4.849 -7.008 226 H GLN 32 H GLN 32 0.425 8.681 -7.248 227 HA GLN 32 HA GLN 32 1.255 7.451 -9.843 228 1HB GLN 32 2HB GLN 32 0.864 10.437 -9.619 229 2HB GLN 32 1HB GLN 32 1.111 9.520 -11.065 230 1HG GLN 32 2HG GLN 32 -1.410 8.719 -9.703 231 2HG GLN 32 1HG GLN 32 -1.416 10.361 -10.242 232 1HE2 GLN 32 2HE2 GLN 32 -2.280 9.386 -13.458 233 2HE2 GLN 32 1HE2 GLN 32 -2.529 10.433 -12.137 234 H THR 33 H THR 33 3.270 7.996 -10.499 235 HA THR 33 HA THR 33 4.859 8.378 -8.177 236 HB THR 33 HB THR 33 6.457 8.344 -10.702 237 HG1 THR 33 HG1 THR 33 5.219 7.172 -11.897 238 1HG2 THR 33 3HG2 THR 33 5.690 6.275 -8.676 239 2HG2 THR 33 2HG2 THR 33 7.026 6.150 -9.840 240 3HG2 THR 33 1HG2 THR 33 7.037 7.418 -8.613 241 H THR 34 H THR 34 3.759 10.661 -8.117 242 HA THR 34 HA THR 34 5.945 12.313 -8.797 243 HB THR 34 HB THR 34 4.593 12.414 -10.975 244 HG1 THR 34 HG1 THR 34 3.800 14.827 -10.138 245 1HG2 THR 34 2HG2 THR 34 2.415 11.845 -9.820 246 2HG2 THR 34 1HG2 THR 34 2.375 13.466 -9.148 247 3HG2 THR 34 3HG2 THR 34 2.256 13.227 -10.888 248 H ILE 35 H ILE 35 5.732 14.501 -8.395 249 HA ILE 35 HA ILE 35 5.604 16.257 -6.918 250 HB ILE 35 HB ILE 35 2.981 15.352 -7.008 251 1HG1 ILE 35 2HG1 ILE 35 2.412 17.303 -5.429 252 2HG1 ILE 35 1HG1 ILE 35 4.128 17.479 -5.122 253 1HG2 ILE 35 3HG2 ILE 35 3.261 13.785 -5.049 254 2HG2 ILE 35 2HG2 ILE 35 3.727 15.145 -4.065 255 3HG2 ILE 35 1HG2 ILE 35 2.125 15.077 -4.791 256 1HD1 ILE 35 1HD1 ILE 35 2.791 17.684 -7.857 257 2HD1 ILE 35 3HD1 ILE 35 3.365 19.030 -6.891 258 3HD1 ILE 35 2HD1 ILE 35 4.513 17.895 -7.568 259 H THR 36 H THR 36 5.032 13.096 -5.495 260 HA THR 36 HA THR 36 7.463 13.408 -3.819 261 HB THR 36 HB THR 36 4.770 12.457 -2.585 262 HG1 THR 36 HG1 THR 36 5.919 14.944 -3.066 263 1HG2 THR 36 3HG2 THR 36 7.377 13.471 -1.353 264 2HG2 THR 36 2HG2 THR 36 5.994 12.829 -0.484 265 3HG2 THR 36 1HG2 THR 36 6.976 11.763 -1.482 266 H GLY 37 H GLY 37 6.843 12.134 -6.275 267 1HA GLY 37 2HA GLY 37 6.874 9.268 -5.487 268 2HA GLY 37 1HA GLY 37 6.286 9.842 -7.041 269 H LEU 38 H LEU 38 9.002 11.216 -5.603 270 HA LEU 38 HA LEU 38 10.909 9.491 -7.055 271 1HB LEU 38 2HB LEU 38 10.172 10.987 -8.803 272 2HB LEU 38 1HB LEU 38 10.368 12.392 -7.815 273 HG LEU 38 HG LEU 38 12.181 11.876 -9.685 274 1HD1 LEU 38 2HD1 LEU 38 12.817 13.469 -7.852 275 2HD1 LEU 38 1HD1 LEU 38 13.379 12.126 -6.870 276 3HD1 LEU 38 3HD1 LEU 38 14.171 12.497 -8.373 277 1HD2 LEU 38 2HD2 LEU 38 12.311 9.430 -9.279 278 2HD2 LEU 38 1HD2 LEU 38 13.896 10.163 -9.137 279 3HD2 LEU 38 3HD2 LEU 38 13.022 9.698 -7.694 280 H PHE 39 H PHE 39 10.970 12.807 -5.767 281 HA PHE 39 HA PHE 39 13.349 12.053 -4.137 282 1HB PHE 39 2HB PHE 39 13.440 14.531 -3.632 283 2HB PHE 39 1HB PHE 39 13.453 14.246 -5.358 284 HD1 PHE 39 HD1 PHE 39 11.242 14.506 -6.657 285 HD2 PHE 39 HD2 PHE 39 11.697 15.795 -2.615 286 HE1 PHE 39 HE1 PHE 39 9.244 15.903 -6.871 287 HE2 PHE 39 HE2 PHE 39 9.704 17.205 -2.852 288 HZ PHE 39 HZ PHE 39 8.477 17.257 -4.973 289 H LYS 40 H LYS 40 11.365 10.696 -3.596 290 HA LYS 40 HA LYS 40 9.615 11.638 -1.475 291 1HB LYS 40 2HB LYS 40 8.596 9.961 -2.854 292 2HB LYS 40 1HB LYS 40 10.084 9.069 -3.031 293 1HG LYS 40 2HG LYS 40 8.510 7.813 -1.650 294 2HG LYS 40 1HG LYS 40 9.930 8.244 -0.724 295 1HD LYS 40 2HD LYS 40 8.366 10.390 -0.127 296 2HD LYS 40 1HD LYS 40 7.114 9.208 -0.480 297 1HE LYS 40 2HE LYS 40 8.277 7.623 1.165 298 2HE LYS 40 1HE LYS 40 9.384 8.931 1.554 299 1HZ LYS 40 3HZ LYS 40 6.713 9.859 1.637 300 2HZ LYS 40 2HZ LYS 40 6.870 8.480 2.618 301 3HZ LYS 40 1HZ LYS 40 7.878 9.811 2.896 302 H LYS 41 H LYS 41 12.245 9.493 -1.898 303 HA LYS 41 HA LYS 41 14.118 9.011 -0.564 304 1HB LYS 41 2HB LYS 41 13.526 11.163 0.873 305 2HB LYS 41 1HB LYS 41 12.597 10.068 1.882 306 1HG LYS 41 2HG LYS 41 14.721 8.614 2.074 307 2HG LYS 41 1HG LYS 41 15.575 9.985 1.389 308 1HD LYS 41 2HD LYS 41 14.605 11.421 3.315 309 2HD LYS 41 1HD LYS 41 13.868 9.966 3.934 310 1HE LYS 41 2HE LYS 41 16.022 10.505 5.106 311 2HE LYS 41 1HE LYS 41 15.995 8.896 4.392 312 1HZ LYS 41 2HZ LYS 41 16.895 10.755 2.478 313 2HZ LYS 41 1HZ LYS 41 17.818 10.955 3.877 314 3HZ LYS 41 3HZ LYS 41 17.739 9.440 3.123 315 H CYS 42 H CYS 42 12.735 7.020 -1.343 316 HA CYS 42 HA CYS 42 12.167 5.395 1.065 317 1HB CYS 42 2HB CYS 42 10.036 6.213 -0.626 318 2HB CYS 42 1HB CYS 42 10.612 4.785 -1.417 No H/Q in entry = 318 Start of MODEL 18 1 1H CYS 1 2H CYS 1 1.179 -0.352 0.221 2 2H CYS 1 1H CYS 1 2.650 -0.841 0.938 3 3H CYS 1 3H CYS 1 2.451 0.761 0.363 4 HA CYS 1 HA CYS 1 3.210 0.188 -1.589 5 1HB CYS 1 2HB CYS 1 4.596 -1.288 -0.661 6 2HB CYS 1 1HB CYS 1 3.331 -2.515 -0.423 7 H ALA 2 H ALA 2 1.460 0.706 -2.803 8 HA ALA 2 HA ALA 2 -0.270 -1.475 -3.828 9 1HB ALA 2 1HB ALA 2 -1.587 0.101 -2.311 10 2HB ALA 2 3HB ALA 2 -1.071 1.450 -3.296 11 3HB ALA 2 2HB ALA 2 -2.122 0.223 -3.972 12 H LYS 3 H LYS 3 -1.062 -0.563 -6.086 13 HA LYS 3 HA LYS 3 1.136 1.052 -7.277 14 1HB LYS 3 2HB LYS 3 1.097 -0.533 -9.228 15 2HB LYS 3 1HB LYS 3 1.683 -1.236 -7.731 16 1HG LYS 3 2HG LYS 3 -0.698 -2.111 -7.332 17 2HG LYS 3 1HG LYS 3 -1.125 -1.504 -8.922 18 1HD LYS 3 2HD LYS 3 0.481 -2.971 -9.994 19 2HD LYS 3 1HD LYS 3 1.140 -3.466 -8.432 20 1HE LYS 3 2HE LYS 3 -1.088 -4.396 -7.793 21 2HE LYS 3 1HE LYS 3 -1.729 -3.931 -9.361 22 1HZ LYS 3 1HZ LYS 3 0.618 -5.448 -9.795 23 2HZ LYS 3 3HZ LYS 3 -0.355 -6.257 -8.674 24 3HZ LYS 3 2HZ LYS 3 -0.995 -5.836 -10.176 25 H LYS 4 H LYS 4 0.712 2.335 -8.877 26 HA LYS 4 HA LYS 4 -1.521 3.739 -9.147 27 1HB LYS 4 2HB LYS 4 -0.798 4.299 -11.522 28 2HB LYS 4 1HB LYS 4 0.435 4.468 -10.302 29 1HG LYS 4 2HG LYS 4 1.553 2.453 -10.928 30 2HG LYS 4 1HG LYS 4 0.253 1.947 -11.991 31 1HD LYS 4 2HD LYS 4 0.719 3.898 -13.497 32 2HD LYS 4 1HD LYS 4 1.885 4.514 -12.355 33 1HE LYS 4 2HE LYS 4 3.041 3.353 -14.178 34 2HE LYS 4 1HE LYS 4 3.319 2.539 -12.650 35 1HZ LYS 4 1HZ LYS 4 1.001 1.474 -13.891 36 2HZ LYS 4 3HZ LYS 4 2.303 1.425 -14.985 37 3HZ LYS 4 2HZ LYS 4 2.450 0.695 -13.458 38 H ARG 5 H ARG 5 -3.595 3.208 -9.840 39 HA ARG 5 HA ARG 5 -4.960 2.359 -11.880 40 1HB ARG 5 2HB ARG 5 -3.408 0.208 -12.117 41 2HB ARG 5 1HB ARG 5 -4.153 -0.349 -10.639 42 1HG ARG 5 2HG ARG 5 -5.452 -1.345 -12.335 43 2HG ARG 5 1HG ARG 5 -6.416 0.074 -11.985 44 1HD ARG 5 2HD ARG 5 -5.281 1.303 -13.879 45 2HD ARG 5 1HD ARG 5 -4.352 -0.141 -14.258 46 HE ARG 5 HE ARG 5 -7.324 0.132 -14.526 47 1HH1 ARG 5 1HH2 ARG 5 -6.263 -2.532 -13.957 48 2HH1 ARG 5 2HH2 ARG 5 -6.036 -3.272 -15.499 49 1HH2 ARG 5 2HH1 ARG 5 -6.231 -0.043 -17.035 50 2HH2 ARG 5 1HH1 ARG 5 -6.041 -1.705 -17.439 51 H ASN 6 H ASN 6 -4.182 1.140 -8.718 52 HA ASN 6 HA ASN 6 -7.036 1.450 -7.710 53 1HB ASN 6 2HB ASN 6 -5.467 -0.898 -7.596 54 2HB ASN 6 1HB ASN 6 -4.867 -0.042 -6.182 55 1HD2 ASN 6 2HD2 ASN 6 -7.870 -0.568 -4.372 56 2HD2 ASN 6 1HD2 ASN 6 -6.397 0.279 -4.381 57 H TRP 7 H TRP 7 -7.121 2.924 -6.010 58 HA TRP 7 HA TRP 7 -4.588 4.463 -5.823 59 1HB TRP 7 2HB TRP 7 -5.979 6.346 -5.194 60 2HB TRP 7 1HB TRP 7 -6.623 5.665 -6.675 61 HD1 TRP 7 HD1 TRP 7 -7.354 4.674 -3.080 62 HE1 TRP 7 HE1 TRP 7 -9.792 5.033 -2.565 63 HE3 TRP 7 HE3 TRP 7 -8.717 6.481 -7.541 64 HZ2 TRP 7 HZ2 TRP 7 -11.911 5.884 -3.831 65 HZ3 TRP 7 HZ3 TRP 7 -11.107 7.053 -7.904 66 HH2 TRP 7 HH2 TRP 7 -12.738 6.749 -6.050 67 H CYS 8 H CYS 8 -4.605 5.750 -3.907 68 HA CYS 8 HA CYS 8 -4.723 4.102 -1.399 69 1HB CYS 8 2HB CYS 8 -2.781 5.795 -0.831 70 2HB CYS 8 1HB CYS 8 -2.483 4.351 -1.749 71 H GLY 9 H GLY 9 -5.870 6.881 -2.919 72 1HA GLY 9 2HA GLY 9 -7.412 8.486 -2.104 73 2HA GLY 9 1HA GLY 9 -7.267 7.768 -0.513 74 H LYS 10 H LYS 10 -5.051 8.190 0.604 75 HA LYS 10 HA LYS 10 -3.945 10.887 -0.190 76 1HB LYS 10 2HB LYS 10 -3.759 11.541 2.116 77 2HB LYS 10 1HB LYS 10 -5.346 10.797 2.047 78 1HG LYS 10 2HG LYS 10 -4.706 8.945 3.267 79 2HG LYS 10 1HG LYS 10 -3.080 8.902 2.632 80 1HD LYS 10 2HD LYS 10 -2.540 9.526 4.743 81 2HD LYS 10 1HD LYS 10 -2.658 11.065 3.953 82 1HE LYS 10 2HE LYS 10 -3.959 11.140 6.073 83 2HE LYS 10 1HE LYS 10 -5.104 11.153 4.727 84 1HZ LYS 10 1HZ LYS 10 -4.458 8.475 5.279 85 2HZ LYS 10 3HZ LYS 10 -4.886 9.171 6.757 86 3HZ LYS 10 2HZ LYS 10 -5.922 9.159 5.417 87 H ASN 11 H ASN 11 -3.106 8.206 -0.695 88 HA ASN 11 HA ASN 11 -0.958 7.700 -1.521 89 1HB ASN 11 2HB ASN 11 -0.070 9.953 -0.538 90 2HB ASN 11 1HB ASN 11 0.313 9.061 0.918 91 1HD2 ASN 11 2HD2 ASN 11 2.482 7.252 -1.855 92 2HD2 ASN 11 1HD2 ASN 11 0.880 6.800 -1.477 93 H GLU 12 H GLU 12 -1.684 7.760 1.797 94 HA GLU 12 HA GLU 12 -0.700 6.300 3.538 95 1HB GLU 12 2HB GLU 12 -3.182 4.932 2.411 96 2HB GLU 12 1HB GLU 12 -2.528 4.738 4.014 97 1HG GLU 12 2HG GLU 12 -2.826 7.315 4.245 98 2HG GLU 12 1HG GLU 12 -3.806 7.100 2.770 99 H ASP 13 H ASP 13 -1.922 3.921 1.283 100 HA ASP 13 HA ASP 13 0.109 1.968 2.175 101 1HB ASP 13 2HB ASP 13 -1.487 0.273 1.266 102 2HB ASP 13 1HB ASP 13 -2.333 1.372 2.353 103 H CYS 14 H CYS 14 0.596 4.046 -0.044 104 HA CYS 14 HA CYS 14 0.754 2.322 -2.439 105 1HB CYS 14 2HB CYS 14 0.404 4.890 -2.244 106 2HB CYS 14 1HB CYS 14 2.157 4.968 -2.180 107 H CYS 15 H CYS 15 2.676 2.174 -3.667 108 HA CYS 15 HA CYS 15 5.010 1.263 -2.059 109 1HB CYS 15 2HB CYS 15 3.459 -0.147 -3.922 110 2HB CYS 15 1HB CYS 15 4.728 0.455 -4.906 111 H CYS 16 H CYS 16 5.902 3.186 -1.941 112 HA CYS 16 HA CYS 16 6.306 5.286 -3.669 113 1HB CYS 16 2HB CYS 16 8.480 5.685 -2.600 114 2HB CYS 16 1HB CYS 16 7.201 5.362 -1.475 115 HA PRO 17 HA PRO 17 7.724 6.715 -4.132 116 1HB PRO 17 2HB PRO 17 8.963 8.232 -5.822 117 2HB PRO 17 1HB PRO 17 9.906 6.960 -5.012 118 1HG PRO 17 2HG PRO 17 8.641 6.819 -7.810 119 2HG PRO 17 1HG PRO 17 10.309 6.455 -7.385 120 1HD PRO 17 2HD PRO 17 8.241 4.510 -7.422 121 2HD PRO 17 1HD PRO 17 9.751 4.310 -6.520 122 H MET 18 H MET 18 5.670 7.012 -4.116 123 HA MET 18 HA MET 18 4.346 8.136 -6.442 124 1HB MET 18 2HB MET 18 4.416 5.786 -6.879 125 2HB MET 18 1HB MET 18 3.760 5.427 -5.295 126 1HG MET 18 2HG MET 18 1.658 5.916 -5.916 127 2HG MET 18 1HG MET 18 2.135 7.124 -7.046 128 1HE MET 18 1HE MET 18 2.819 3.748 -6.068 129 2HE MET 18 3HE MET 18 2.700 2.689 -7.438 130 3HE MET 18 2HE MET 18 4.115 3.755 -7.259 131 H LYS 19 H LYS 19 2.708 9.299 -5.900 132 HA LYS 19 HA LYS 19 1.875 9.260 -2.996 133 1HB LYS 19 2HB LYS 19 3.381 11.197 -3.910 134 2HB LYS 19 1HB LYS 19 1.957 11.703 -4.761 135 1HG LYS 19 2HG LYS 19 1.948 11.392 -1.718 136 2HG LYS 19 1HG LYS 19 2.393 12.898 -2.485 137 1HD LYS 19 2HD LYS 19 0.181 12.822 -3.733 138 2HD LYS 19 1HD LYS 19 -0.273 11.503 -2.680 139 1HE LYS 19 2HE LYS 19 -0.216 12.806 -0.712 140 2HE LYS 19 1HE LYS 19 0.342 14.225 -1.613 141 1HZ LYS 19 2HZ LYS 19 -1.853 12.998 -2.934 142 2HZ LYS 19 1HZ LYS 19 -2.373 13.321 -1.395 143 3HZ LYS 19 3HZ LYS 19 -1.743 14.586 -2.325 144 H CYS 20 H CYS 20 -0.586 9.737 -2.721 145 HA CYS 20 HA CYS 20 -1.910 8.804 -5.124 146 1HB CYS 20 2HB CYS 20 -2.452 9.134 -2.368 147 2HB CYS 20 1HB CYS 20 -3.715 9.962 -3.178 148 H ILE 21 H ILE 21 -2.959 9.970 -6.563 149 HA ILE 21 HA ILE 21 -2.652 12.928 -6.634 150 HB ILE 21 HB ILE 21 -3.336 10.934 -8.833 151 1HG1 ILE 21 2HG1 ILE 21 -1.184 10.509 -8.042 152 2HG1 ILE 21 1HG1 ILE 21 -1.228 11.234 -9.660 153 1HG2 ILE 21 2HG2 ILE 21 -2.515 13.825 -9.081 154 2HG2 ILE 21 1HG2 ILE 21 -2.688 12.663 -10.389 155 3HG2 ILE 21 3HG2 ILE 21 -4.102 13.138 -9.488 156 1HD1 ILE 21 2HD1 ILE 21 -0.407 13.367 -8.775 157 2HD1 ILE 21 1HD1 ILE 21 -0.374 12.697 -7.161 158 3HD1 ILE 21 3HD1 ILE 21 0.656 12.035 -8.345 159 H TYR 22 H TYR 22 -4.501 13.980 -7.789 160 HA TYR 22 HA TYR 22 -7.124 12.781 -6.994 161 1HB TYR 22 2HB TYR 22 -6.107 15.661 -6.655 162 2HB TYR 22 1HB TYR 22 -7.701 15.079 -6.118 163 HD1 TYR 22 HD1 TYR 22 -7.753 13.303 -4.255 164 HD2 TYR 22 HD2 TYR 22 -4.137 15.067 -5.592 165 HE1 TYR 22 HE1 TYR 22 -6.581 12.281 -2.377 166 HE2 TYR 22 HE2 TYR 22 -2.972 14.093 -3.783 167 HH TYR 22 HH TYR 22 -4.465 11.701 -1.755 168 H ALA 23 H ALA 23 -5.904 15.546 -8.736 169 HA ALA 23 HA ALA 23 -5.935 15.614 -11.250 170 1HB ALA 23 1HB ALA 23 -8.941 15.084 -10.731 171 2HB ALA 23 3HB ALA 23 -8.234 15.454 -12.306 172 3HB ALA 23 2HB ALA 23 -7.859 13.946 -11.513 173 H TRP 24 H TRP 24 -8.875 17.041 -11.218 174 HA TRP 24 HA TRP 24 -7.808 19.591 -10.050 175 1HB TRP 24 2HB TRP 24 -9.240 20.766 -11.663 176 2HB TRP 24 1HB TRP 24 -8.520 19.465 -12.599 177 HD1 TRP 24 HD1 TRP 24 -10.296 17.485 -13.445 178 HE1 TRP 24 HE1 TRP 24 -12.778 17.206 -13.217 179 HE3 TRP 24 HE3 TRP 24 -11.120 21.254 -10.228 180 HZ2 TRP 24 HZ2 TRP 24 -14.846 18.433 -11.786 181 HZ3 TRP 24 HZ3 TRP 24 -13.387 21.688 -9.423 182 HH2 TRP 24 HH2 TRP 24 -15.277 20.272 -10.214 183 H TYR 25 H TYR 25 -10.446 17.308 -10.126 184 HA TYR 25 HA TYR 25 -12.176 18.760 -8.304 185 1HB TYR 25 2HB TYR 25 -13.538 16.692 -8.273 186 2HB TYR 25 1HB TYR 25 -13.040 16.985 -9.924 187 HD1 TYR 25 HD1 TYR 25 -12.115 15.029 -6.853 188 HD2 TYR 25 HD2 TYR 25 -11.761 15.325 -11.086 189 HE1 TYR 25 HE1 TYR 25 -10.986 12.867 -6.907 190 HE2 TYR 25 HE2 TYR 25 -10.646 13.153 -11.120 191 HH TYR 25 HH TYR 25 -9.175 11.898 -9.240 192 H ASN 26 H ASN 26 -12.637 17.536 -6.040 193 HA ASN 26 HA ASN 26 -10.134 16.246 -5.057 194 1HB ASN 26 2HB ASN 26 -10.157 18.761 -4.666 195 2HB ASN 26 1HB ASN 26 -11.456 18.456 -3.498 196 1HD2 ASN 26 2HD2 ASN 26 -7.681 17.549 -2.455 197 2HD2 ASN 26 1HD2 ASN 26 -8.019 18.385 -3.898 198 H GLN 27 H GLN 27 -11.161 14.314 -4.924 199 HA GLN 27 HA GLN 27 -12.886 13.964 -2.527 200 1HB GLN 27 2HB GLN 27 -13.474 12.827 -5.311 201 2HB GLN 27 1HB GLN 27 -14.122 12.110 -3.852 202 1HG GLN 27 2HG GLN 27 -15.080 14.444 -3.294 203 2HG GLN 27 1HG GLN 27 -14.693 14.882 -4.953 204 1HE2 GLN 27 2HE2 GLN 27 -17.607 13.233 -6.091 205 2HE2 GLN 27 1HE2 GLN 27 -16.466 14.468 -6.353 206 H GLN 28 H GLN 28 -11.481 11.952 -5.083 207 HA GLN 28 HA GLN 28 -10.242 10.303 -2.944 208 1HB GLN 28 2HB GLN 28 -11.409 9.566 -5.682 209 2HB GLN 28 1HB GLN 28 -10.452 8.448 -4.734 210 1HG GLN 28 2HG GLN 28 -12.859 9.871 -3.492 211 2HG GLN 28 1HG GLN 28 -13.046 8.361 -4.363 212 1HE2 GLN 28 2HE2 GLN 28 -12.482 6.927 -1.176 213 2HE2 GLN 28 1HE2 GLN 28 -13.659 7.301 -2.337 214 H GLY 29 H GLY 29 -8.552 8.875 -3.748 215 1HA GLY 29 2HA GLY 29 -6.472 10.658 -4.861 216 2HA GLY 29 1HA GLY 29 -6.161 9.304 -3.835 217 H SER 30 H SER 30 -4.512 8.716 -5.256 218 HA SER 30 HA SER 30 -4.885 6.523 -6.875 219 1HB SER 30 2HB SER 30 -6.101 7.677 -8.571 220 2HB SER 30 1HB SER 30 -5.048 9.100 -8.489 221 HG SER 30 HG SER 30 -3.389 7.868 -9.400 222 H CYS 31 H CYS 31 -3.056 5.685 -6.331 223 HA CYS 31 HA CYS 31 -0.611 6.757 -5.780 224 1HB CYS 31 2HB CYS 31 -1.527 4.138 -6.919 225 2HB CYS 31 1HB CYS 31 0.165 4.422 -6.932 226 H GLN 32 H GLN 32 0.225 8.494 -7.244 227 HA GLN 32 HA GLN 32 0.963 7.374 -9.915 228 1HB GLN 32 2HB GLN 32 -0.956 9.172 -9.726 229 2HB GLN 32 1HB GLN 32 0.427 10.181 -9.220 230 1HG GLN 32 2HG GLN 32 -0.175 10.568 -11.571 231 2HG GLN 32 1HG GLN 32 1.479 10.045 -11.306 232 1HE2 GLN 32 2HE2 GLN 32 -1.234 7.569 -13.144 233 2HE2 GLN 32 1HE2 GLN 32 -1.776 8.964 -12.345 234 H THR 33 H THR 33 2.890 8.094 -10.685 235 HA THR 33 HA THR 33 4.637 8.439 -8.473 236 HB THR 33 HB THR 33 6.057 8.683 -11.102 237 HG1 THR 33 HG1 THR 33 4.718 7.552 -12.258 238 1HG2 THR 33 1HG2 THR 33 5.502 6.449 -9.183 239 2HG2 THR 33 3HG2 THR 33 6.807 6.492 -10.392 240 3HG2 THR 33 2HG2 THR 33 6.782 7.669 -9.078 241 H THR 34 H THR 34 3.372 10.703 -8.280 242 HA THR 34 HA THR 34 5.511 12.499 -8.859 243 HB THR 34 HB THR 34 4.133 12.740 -11.002 244 HG1 THR 34 HG1 THR 34 4.121 14.887 -10.862 245 1HG2 THR 34 1HG2 THR 34 2.051 11.904 -9.877 246 2HG2 THR 34 3HG2 THR 34 1.946 13.449 -9.022 247 3HG2 THR 34 2HG2 THR 34 1.755 13.390 -10.776 248 H ILE 35 H ILE 35 5.024 14.688 -8.293 249 HA ILE 35 HA ILE 35 4.808 16.272 -6.650 250 HB ILE 35 HB ILE 35 2.294 15.125 -6.866 251 1HG1 ILE 35 2HG1 ILE 35 3.081 17.165 -4.703 252 2HG1 ILE 35 1HG1 ILE 35 2.922 17.549 -6.399 253 1HG2 ILE 35 1HG2 ILE 35 2.819 13.499 -4.988 254 2HG2 ILE 35 3HG2 ILE 35 3.031 14.857 -3.928 255 3HG2 ILE 35 2HG2 ILE 35 1.463 14.523 -4.650 256 1HD1 ILE 35 3HD1 ILE 35 0.531 16.879 -6.377 257 2HD1 ILE 35 2HD1 ILE 35 0.649 16.482 -4.666 258 3HD1 ILE 35 1HD1 ILE 35 0.854 18.140 -5.199 259 H THR 36 H THR 36 4.647 12.937 -5.454 260 HA THR 36 HA THR 36 6.983 13.452 -3.692 261 HB THR 36 HB THR 36 4.564 11.879 -2.541 262 HG1 THR 36 HG1 THR 36 4.933 14.615 -2.991 263 1HG2 THR 36 2HG2 THR 36 6.668 13.652 -1.252 264 2HG2 THR 36 1HG2 THR 36 5.482 12.655 -0.422 265 3HG2 THR 36 3HG2 THR 36 6.781 11.903 -1.337 266 H GLY 37 H GLY 37 6.277 12.224 -6.258 267 1HA GLY 37 2HA GLY 37 6.906 9.363 -5.757 268 2HA GLY 37 1HA GLY 37 6.054 9.971 -7.181 269 H LEU 38 H LEU 38 8.699 11.555 -5.856 270 HA LEU 38 HA LEU 38 10.628 10.381 -7.781 271 1HB LEU 38 2HB LEU 38 9.464 12.095 -9.074 272 2HB LEU 38 1HB LEU 38 9.661 13.270 -7.831 273 HG LEU 38 HG LEU 38 11.233 13.596 -9.830 274 1HD1 LEU 38 2HD1 LEU 38 12.272 14.300 -7.670 275 2HD1 LEU 38 1HD1 LEU 38 12.956 12.692 -7.464 276 3HD1 LEU 38 3HD1 LEU 38 13.447 13.690 -8.802 277 1HD2 LEU 38 1HD2 LEU 38 11.340 11.248 -10.557 278 2HD2 LEU 38 3HD2 LEU 38 12.952 11.906 -10.383 279 3HD2 LEU 38 2HD2 LEU 38 12.316 10.827 -9.158 280 H PHE 39 H PHE 39 10.419 13.361 -5.859 281 HA PHE 39 HA PHE 39 12.969 12.625 -4.489 282 1HB PHE 39 2HB PHE 39 12.834 15.023 -3.625 283 2HB PHE 39 1HB PHE 39 12.905 14.956 -5.375 284 HD1 PHE 39 HD1 PHE 39 10.670 15.178 -6.689 285 HD2 PHE 39 HD2 PHE 39 10.980 16.016 -2.517 286 HE1 PHE 39 HE1 PHE 39 8.558 16.404 -6.774 287 HE2 PHE 39 HE2 PHE 39 8.865 17.254 -2.623 288 HZ PHE 39 HZ PHE 39 7.653 17.446 -4.742 289 H LYS 40 H LYS 40 11.271 10.973 -3.891 290 HA LYS 40 HA LYS 40 9.494 11.648 -1.681 291 1HB LYS 40 2HB LYS 40 8.867 9.296 -1.744 292 2HB LYS 40 1HB LYS 40 9.063 9.786 -3.396 293 1HG LYS 40 2HG LYS 40 11.141 8.214 -1.778 294 2HG LYS 40 1HG LYS 40 10.072 7.525 -2.942 295 1HD LYS 40 2HD LYS 40 11.222 8.952 -4.713 296 2HD LYS 40 1HD LYS 40 12.361 9.491 -3.484 297 1HE LYS 40 2HE LYS 40 11.933 6.586 -4.342 298 2HE LYS 40 1HE LYS 40 13.279 7.603 -4.820 299 1HZ LYS 40 3HZ LYS 40 13.108 7.524 -1.949 300 2HZ LYS 40 2HZ LYS 40 12.950 6.042 -2.473 301 3HZ LYS 40 1HZ LYS 40 14.340 6.895 -2.922 302 H LYS 41 H LYS 41 9.641 10.361 0.355 303 HA LYS 41 HA LYS 41 12.468 10.326 1.357 304 1HB LYS 41 2HB LYS 41 10.109 11.690 2.375 305 2HB LYS 41 1HB LYS 41 10.412 10.365 3.469 306 1HG LYS 41 2HG LYS 41 11.631 12.219 4.323 307 2HG LYS 41 1HG LYS 41 12.814 11.108 3.655 308 1HD LYS 41 2HD LYS 41 12.822 12.481 1.495 309 2HD LYS 41 1HD LYS 41 11.774 13.647 2.259 310 1HE LYS 41 2HE LYS 41 14.611 12.880 3.129 311 2HE LYS 41 1HE LYS 41 14.126 14.403 2.406 312 1HZ LYS 41 1HZ LYS 41 12.513 13.976 4.666 313 2HZ LYS 41 3HZ LYS 41 14.124 13.715 5.127 314 3HZ LYS 41 2HZ LYS 41 13.669 15.185 4.426 315 H CYS 42 H CYS 42 11.119 8.411 -0.080 316 HA CYS 42 HA CYS 42 11.323 5.985 1.604 317 1HB CYS 42 2HB CYS 42 8.822 6.713 1.058 318 2HB CYS 42 1HB CYS 42 9.229 6.431 -0.603 No H/Q in entry = 318 Start of MODEL 19 1 1H CYS 1 3H CYS 1 0.209 -0.822 -0.535 2 2H CYS 1 2H CYS 1 1.485 -1.511 0.303 3 3H CYS 1 1H CYS 1 1.419 0.145 0.045 4 HA CYS 1 HA CYS 1 2.605 -0.076 -1.843 5 1HB CYS 1 2HB CYS 1 3.874 -1.698 -1.002 6 2HB CYS 1 1HB CYS 1 2.592 -2.901 -0.978 7 H ALA 2 H ALA 2 0.881 0.708 -3.317 8 HA ALA 2 HA ALA 2 -0.531 -1.444 -4.846 9 1HB ALA 2 2HB ALA 2 -1.167 1.546 -4.629 10 2HB ALA 2 1HB ALA 2 -2.101 0.380 -5.545 11 3HB ALA 2 3HB ALA 2 -2.038 0.277 -3.795 12 H LYS 3 H LYS 3 -0.660 -0.988 -7.177 13 HA LYS 3 HA LYS 3 1.841 0.350 -8.208 14 1HB LYS 3 2HB LYS 3 0.364 -2.108 -9.292 15 2HB LYS 3 1HB LYS 3 1.570 -1.257 -10.205 16 1HG LYS 3 2HG LYS 3 2.487 -3.287 -9.266 17 2HG LYS 3 1HG LYS 3 3.338 -1.882 -8.694 18 1HD LYS 3 2HD LYS 3 1.078 -2.789 -6.943 19 2HD LYS 3 1HD LYS 3 2.347 -3.964 -7.094 20 1HE LYS 3 2HE LYS 3 2.826 -1.059 -6.395 21 2HE LYS 3 1HE LYS 3 2.666 -2.322 -5.188 22 1HZ LYS 3 1HZ LYS 3 4.621 -3.073 -7.102 23 2HZ LYS 3 3HZ LYS 3 4.924 -1.474 -6.590 24 3HZ LYS 3 2HZ LYS 3 4.814 -2.701 -5.450 25 H LYS 4 H LYS 4 0.001 2.106 -7.997 26 HA LYS 4 HA LYS 4 -1.270 3.733 -9.177 27 1HB LYS 4 2HB LYS 4 0.699 3.423 -10.800 28 2HB LYS 4 1HB LYS 4 -0.287 2.313 -11.721 29 1HG LYS 4 2HG LYS 4 -1.348 5.092 -11.108 30 2HG LYS 4 1HG LYS 4 -0.124 4.917 -12.326 31 1HD LYS 4 2HD LYS 4 -1.446 3.996 -13.875 32 2HD LYS 4 1HD LYS 4 -2.384 3.005 -12.827 33 1HE LYS 4 2HE LYS 4 -3.265 5.585 -12.091 34 2HE LYS 4 1HE LYS 4 -2.708 5.909 -13.719 35 1HZ LYS 4 3HZ LYS 4 -4.332 3.595 -13.804 36 2HZ LYS 4 2HZ LYS 4 -5.147 4.789 -12.913 37 3HZ LYS 4 1HZ LYS 4 -4.624 5.109 -14.486 38 H ARG 5 H ARG 5 -3.028 3.456 -11.199 39 HA ARG 5 HA ARG 5 -5.005 2.574 -12.103 40 1HB ARG 5 2HB ARG 5 -3.496 0.546 -12.555 41 2HB ARG 5 1HB ARG 5 -4.039 -0.124 -11.039 42 1HG ARG 5 2HG ARG 5 -6.286 -0.370 -11.747 43 2HG ARG 5 1HG ARG 5 -6.111 0.706 -13.111 44 1HD ARG 5 2HD ARG 5 -4.648 -1.976 -12.866 45 2HD ARG 5 1HD ARG 5 -6.172 -1.779 -13.715 46 HE ARG 5 HE ARG 5 -3.689 -0.268 -14.535 47 1HH1 ARG 5 1HH2 ARG 5 -6.061 0.534 -15.914 48 2HH1 ARG 5 2HH2 ARG 5 -6.133 -0.457 -17.318 49 1HH2 ARG 5 2HH1 ARG 5 -3.902 -2.796 -15.847 50 2HH2 ARG 5 1HH1 ARG 5 -4.823 -2.508 -17.272 51 H ASN 6 H ASN 6 -4.296 1.093 -8.996 52 HA ASN 6 HA ASN 6 -7.103 1.642 -8.013 53 1HB ASN 6 2HB ASN 6 -5.502 -0.723 -7.768 54 2HB ASN 6 1HB ASN 6 -5.027 0.188 -6.353 55 1HD2 ASN 6 2HD2 ASN 6 -8.624 -1.598 -6.378 56 2HD2 ASN 6 1HD2 ASN 6 -7.457 -1.843 -7.594 57 H TRP 7 H TRP 7 -7.194 3.092 -6.256 58 HA TRP 7 HA TRP 7 -4.631 4.607 -6.064 59 1HB TRP 7 2HB TRP 7 -5.984 6.504 -5.389 60 2HB TRP 7 1HB TRP 7 -6.593 5.912 -6.919 61 HD1 TRP 7 HD1 TRP 7 -7.511 4.792 -3.353 62 HE1 TRP 7 HE1 TRP 7 -9.957 5.261 -2.941 63 HE3 TRP 7 HE3 TRP 7 -8.524 6.808 -7.764 64 HZ2 TRP 7 HZ2 TRP 7 -12.050 6.295 -4.344 65 HZ3 TRP 7 HZ3 TRP 7 -10.863 7.551 -8.274 66 HH2 TRP 7 HH2 TRP 7 -12.622 7.275 -6.553 67 H CYS 8 H CYS 8 -4.673 5.906 -4.070 68 HA CYS 8 HA CYS 8 -4.788 4.118 -1.702 69 1HB CYS 8 2HB CYS 8 -2.881 5.905 -1.133 70 2HB CYS 8 1HB CYS 8 -2.572 4.496 -2.112 71 H GLY 9 H GLY 9 -5.983 6.981 -3.067 72 1HA GLY 9 2HA GLY 9 -7.751 8.353 -2.114 73 2HA GLY 9 1HA GLY 9 -7.436 7.601 -0.557 74 H LYS 10 H LYS 10 -5.043 7.869 0.031 75 HA LYS 10 HA LYS 10 -3.968 10.619 -0.332 76 1HB LYS 10 2HB LYS 10 -3.510 10.630 2.166 77 2HB LYS 10 1HB LYS 10 -5.246 10.553 1.855 78 1HG LYS 10 2HG LYS 10 -5.224 8.077 2.135 79 2HG LYS 10 1HG LYS 10 -3.511 8.060 2.183 80 1HD LYS 10 2HD LYS 10 -4.237 7.674 4.273 81 2HD LYS 10 1HD LYS 10 -3.452 9.244 4.324 82 1HE LYS 10 2HE LYS 10 -5.643 10.318 4.519 83 2HE LYS 10 1HE LYS 10 -6.444 8.751 4.373 84 1HZ LYS 10 3HZ LYS 10 -4.425 8.510 6.334 85 2HZ LYS 10 2HZ LYS 10 -5.293 9.889 6.718 86 3HZ LYS 10 1HZ LYS 10 -6.069 8.381 6.547 87 H ASN 11 H ASN 11 -1.709 10.738 0.444 88 HA ASN 11 HA ASN 11 -0.268 8.529 -0.757 89 1HB ASN 11 2HB ASN 11 1.769 9.892 -0.062 90 2HB ASN 11 1HB ASN 11 0.595 10.816 -1.002 91 1HD2 ASN 11 2HD2 ASN 11 1.259 11.896 2.825 92 2HD2 ASN 11 1HD2 ASN 11 2.125 10.595 2.146 93 H GLU 12 H GLU 12 -1.648 7.429 1.375 94 HA GLU 12 HA GLU 12 0.326 7.077 3.607 95 1HB GLU 12 2HB GLU 12 -2.098 7.853 3.845 96 2HB GLU 12 1HB GLU 12 -2.594 6.180 3.624 97 1HG GLU 12 2HG GLU 12 -1.538 5.561 5.736 98 2HG GLU 12 1HG GLU 12 -0.669 7.089 5.832 99 H ASP 13 H ASP 13 -1.730 5.003 1.419 100 HA ASP 13 HA ASP 13 0.304 2.847 1.953 101 1HB ASP 13 2HB ASP 13 -1.882 2.226 3.008 102 2HB ASP 13 1HB ASP 13 -2.661 2.309 1.435 103 H CYS 14 H CYS 14 1.504 3.354 0.131 104 HA CYS 14 HA CYS 14 0.481 2.322 -2.514 105 1HB CYS 14 2HB CYS 14 0.447 4.861 -2.412 106 2HB CYS 14 1HB CYS 14 2.209 4.762 -2.316 107 H CYS 15 H CYS 15 2.445 2.003 -3.925 108 HA CYS 15 HA CYS 15 4.618 0.794 -2.272 109 1HB CYS 15 2HB CYS 15 3.038 -0.371 -4.137 110 2HB CYS 15 1HB CYS 15 4.259 0.250 -5.168 111 H CYS 16 H CYS 16 5.538 2.721 -2.002 112 HA CYS 16 HA CYS 16 6.298 4.823 -3.596 113 1HB CYS 16 2HB CYS 16 7.713 3.450 -1.424 114 2HB CYS 16 1HB CYS 16 8.531 4.719 -2.269 115 HA PRO 17 HA PRO 17 7.964 6.166 -3.692 116 1HB PRO 17 2HB PRO 17 9.037 7.796 -5.422 117 2HB PRO 17 1HB PRO 17 10.084 6.586 -4.629 118 1HG PRO 17 2HG PRO 17 8.735 6.375 -7.410 119 2HG PRO 17 1HG PRO 17 10.435 6.116 -7.034 120 1HD PRO 17 2HD PRO 17 8.569 4.036 -7.079 121 2HD PRO 17 1HD PRO 17 10.026 3.954 -6.077 122 H MET 18 H MET 18 5.969 6.985 -3.619 123 HA MET 18 HA MET 18 4.570 7.865 -6.085 124 1HB MET 18 2HB MET 18 4.433 5.363 -5.773 125 2HB MET 18 1HB MET 18 3.387 5.694 -4.421 126 1HG MET 18 2HG MET 18 1.673 5.885 -5.785 127 2HG MET 18 1HG MET 18 2.395 7.235 -6.578 128 1HE MET 18 1HE MET 18 3.061 3.784 -5.947 129 2HE MET 18 3HE MET 18 2.645 2.871 -7.357 130 3HE MET 18 2HE MET 18 4.295 3.541 -7.151 131 H LYS 19 H LYS 19 2.704 8.906 -5.700 132 HA LYS 19 HA LYS 19 2.092 9.612 -2.825 133 1HB LYS 19 2HB LYS 19 3.459 11.406 -4.219 134 2HB LYS 19 1HB LYS 19 1.969 11.623 -5.111 135 1HG LYS 19 2HG LYS 19 0.763 12.225 -2.984 136 2HG LYS 19 1HG LYS 19 2.258 11.955 -2.081 137 1HD LYS 19 2HD LYS 19 3.277 13.626 -3.835 138 2HD LYS 19 1HD LYS 19 1.595 14.053 -4.102 139 1HE LYS 19 2HE LYS 19 1.263 14.916 -1.954 140 2HE LYS 19 1HE LYS 19 2.680 14.111 -1.289 141 1HZ LYS 19 1HZ LYS 19 3.546 15.753 -3.429 142 2HZ LYS 19 3HZ LYS 19 2.568 16.693 -2.425 143 3HZ LYS 19 2HZ LYS 19 3.939 15.887 -1.862 144 H CYS 20 H CYS 20 -0.398 10.441 -2.766 145 HA CYS 20 HA CYS 20 -1.740 8.823 -4.855 146 1HB CYS 20 2HB CYS 20 -2.076 8.983 -2.224 147 2HB CYS 20 1HB CYS 20 -3.205 10.251 -2.642 148 H ILE 21 H ILE 21 -2.953 9.965 -6.504 149 HA ILE 21 HA ILE 21 -2.670 12.896 -6.373 150 HB ILE 21 HB ILE 21 -2.619 10.870 -8.647 151 1HG1 ILE 21 2HG1 ILE 21 -0.573 11.036 -7.441 152 2HG1 ILE 21 1HG1 ILE 21 -0.387 11.906 -8.969 153 1HG2 ILE 21 2HG2 ILE 21 -2.452 13.871 -9.035 154 2HG2 ILE 21 1HG2 ILE 21 -2.168 12.630 -10.245 155 3HG2 ILE 21 3HG2 ILE 21 -3.773 12.829 -9.575 156 1HD1 ILE 21 2HD1 ILE 21 -0.883 13.343 -6.328 157 2HD1 ILE 21 1HD1 ILE 21 0.571 13.029 -7.134 158 3HD1 ILE 21 3HD1 ILE 21 -0.593 14.067 -7.916 159 H TYR 22 H TYR 22 -3.803 14.190 -7.446 160 HA TYR 22 HA TYR 22 -6.710 13.683 -7.232 161 1HB TYR 22 2HB TYR 22 -4.956 16.068 -6.562 162 2HB TYR 22 1HB TYR 22 -6.686 16.012 -6.199 163 HD1 TYR 22 HD1 TYR 22 -7.434 13.862 -4.703 164 HD2 TYR 22 HD2 TYR 22 -3.404 15.177 -5.088 165 HE1 TYR 22 HE1 TYR 22 -6.788 12.564 -2.750 166 HE2 TYR 22 HE2 TYR 22 -2.776 13.870 -3.150 167 HH TYR 22 HH TYR 22 -5.200 11.803 -1.538 168 H ALA 23 H ALA 23 -8.147 14.932 -8.431 169 HA ALA 23 HA ALA 23 -7.133 16.088 -10.984 170 1HB ALA 23 2HB ALA 23 -9.548 14.209 -10.607 171 2HB ALA 23 1HB ALA 23 -9.069 14.922 -12.135 172 3HB ALA 23 3HB ALA 23 -8.039 13.735 -11.363 173 H TRP 24 H TRP 24 -9.389 17.158 -11.908 174 HA TRP 24 HA TRP 24 -9.990 19.420 -10.363 175 1HB TRP 24 2HB TRP 24 -11.934 19.744 -11.793 176 2HB TRP 24 1HB TRP 24 -10.751 18.950 -12.813 177 HD1 TRP 24 HD1 TRP 24 -11.476 16.404 -13.687 178 HE1 TRP 24 HE1 TRP 24 -13.552 15.029 -13.401 179 HE3 TRP 24 HE3 TRP 24 -13.701 19.255 -10.218 180 HZ2 TRP 24 HZ2 TRP 24 -15.886 15.140 -11.847 181 HZ3 TRP 24 HZ3 TRP 24 -15.854 18.607 -9.310 182 HH2 TRP 24 HH2 TRP 24 -16.985 16.530 -10.124 183 H TYR 25 H TYR 25 -11.224 16.272 -10.101 184 HA TYR 25 HA TYR 25 -13.493 16.514 -8.493 185 1HB TYR 25 2HB TYR 25 -11.728 14.395 -9.333 186 2HB TYR 25 1HB TYR 25 -11.860 14.236 -7.600 187 HD1 TYR 25 HD1 TYR 25 -14.248 14.179 -6.580 188 HD2 TYR 25 HD2 TYR 25 -13.486 13.690 -10.740 189 HE1 TYR 25 HE1 TYR 25 -16.444 13.167 -6.856 190 HE2 TYR 25 HE2 TYR 25 -15.686 12.669 -11.018 191 HH TYR 25 HH TYR 25 -17.667 11.739 -8.386 192 H ASN 26 H ASN 26 -13.748 16.174 -6.158 193 HA ASN 26 HA ASN 26 -11.439 17.265 -4.576 194 1HB ASN 26 2HB ASN 26 -13.241 18.975 -4.953 195 2HB ASN 26 1HB ASN 26 -14.376 17.922 -4.101 196 1HD2 ASN 26 2HD2 ASN 26 -13.161 19.024 -0.978 197 2HD2 ASN 26 1HD2 ASN 26 -14.430 18.290 -1.842 198 H GLN 27 H GLN 27 -11.096 14.925 -4.322 199 HA GLN 27 HA GLN 27 -11.179 13.889 -1.879 200 1HB GLN 27 2HB GLN 27 -13.135 12.293 -1.742 201 2HB GLN 27 1HB GLN 27 -13.673 13.955 -1.684 202 1HG GLN 27 2HG GLN 27 -14.191 13.835 -4.162 203 2HG GLN 27 1HG GLN 27 -13.664 12.169 -4.196 204 1HE2 GLN 27 2HE2 GLN 27 -16.778 12.070 -1.760 205 2HE2 GLN 27 1HE2 GLN 27 -15.224 12.528 -1.242 206 H GLN 28 H GLN 28 -10.592 11.732 -1.790 207 HA GLN 28 HA GLN 28 -9.734 9.682 -2.470 208 1HB GLN 28 2HB GLN 28 -10.853 10.348 -5.233 209 2HB GLN 28 1HB GLN 28 -10.271 8.801 -4.716 210 1HG GLN 28 2HG GLN 28 -12.040 8.401 -3.176 211 2HG GLN 28 1HG GLN 28 -12.499 10.094 -3.094 212 1HE2 GLN 28 2HE2 GLN 28 -13.822 9.733 -6.579 213 2HE2 GLN 28 1HE2 GLN 28 -12.517 10.622 -5.931 214 H GLY 29 H GLY 29 -7.962 8.897 -3.815 215 1HA GLY 29 2HA GLY 29 -6.302 11.045 -5.006 216 2HA GLY 29 1HA GLY 29 -5.607 9.967 -3.819 217 H SER 30 H SER 30 -4.061 9.178 -5.336 218 HA SER 30 HA SER 30 -4.705 6.828 -6.772 219 1HB SER 30 2HB SER 30 -4.201 7.852 -9.145 220 2HB SER 30 1HB SER 30 -5.813 8.150 -8.472 221 HG SER 30 HG SER 30 -5.192 10.163 -7.862 222 H CYS 31 H CYS 31 -2.914 5.685 -6.471 223 HA CYS 31 HA CYS 31 -0.420 6.614 -5.756 224 1HB CYS 31 2HB CYS 31 -1.407 4.130 -7.097 225 2HB CYS 31 1HB CYS 31 0.313 4.369 -7.019 226 H GLN 32 H GLN 32 0.442 8.432 -7.076 227 HA GLN 32 HA GLN 32 1.203 7.478 -9.780 228 1HB GLN 32 2HB GLN 32 -0.683 9.371 -9.513 229 2HB GLN 32 1HB GLN 32 0.704 10.333 -9.010 230 1HG GLN 32 2HG GLN 32 0.243 10.725 -11.410 231 2HG GLN 32 1HG GLN 32 1.816 9.976 -11.182 232 1HE2 GLN 32 2HE2 GLN 32 -1.144 7.829 -12.952 233 2HE2 GLN 32 1HE2 GLN 32 -1.543 9.270 -12.138 234 H THR 33 H THR 33 3.233 7.890 -10.372 235 HA THR 33 HA THR 33 4.914 8.417 -8.154 236 HB THR 33 HB THR 33 6.431 8.143 -10.721 237 HG1 THR 33 HG1 THR 33 4.979 5.950 -10.769 238 1HG2 THR 33 3HG2 THR 33 5.597 6.239 -8.594 239 2HG2 THR 33 2HG2 THR 33 6.979 6.055 -9.702 240 3HG2 THR 33 1HG2 THR 33 6.954 7.379 -8.530 241 H THR 34 H THR 34 3.778 10.786 -8.422 242 HA THR 34 HA THR 34 6.089 12.278 -9.246 243 HB THR 34 HB THR 34 4.856 12.067 -11.489 244 HG1 THR 34 HG1 THR 34 4.148 14.462 -11.514 245 1HG2 THR 34 1HG2 THR 34 2.625 11.674 -10.326 246 2HG2 THR 34 3HG2 THR 34 2.541 13.372 -9.916 247 3HG2 THR 34 2HG2 THR 34 2.489 12.863 -11.606 248 H ILE 35 H ILE 35 5.530 14.613 -9.334 249 HA ILE 35 HA ILE 35 5.131 16.604 -8.225 250 HB ILE 35 HB ILE 35 2.691 15.377 -8.059 251 1HG1 ILE 35 2HG1 ILE 35 2.950 17.816 -8.109 252 2HG1 ILE 35 1HG1 ILE 35 1.768 17.376 -6.905 253 1HG2 ILE 35 3HG2 ILE 35 3.504 15.571 -5.176 254 2HG2 ILE 35 2HG2 ILE 35 1.861 15.329 -5.754 255 3HG2 ILE 35 1HG2 ILE 35 3.050 14.092 -5.958 256 1HD1 ILE 35 3HD1 ILE 35 3.522 17.686 -5.106 257 2HD1 ILE 35 2HD1 ILE 35 4.683 18.139 -6.343 258 3HD1 ILE 35 1HD1 ILE 35 3.276 19.139 -6.050 259 H THR 36 H THR 36 5.040 13.738 -6.186 260 HA THR 36 HA THR 36 7.528 14.513 -4.829 261 HB THR 36 HB THR 36 5.145 13.861 -2.992 262 HG1 THR 36 HG1 THR 36 5.842 16.265 -4.337 263 1HG2 THR 36 1HG2 THR 36 7.541 15.769 -2.694 264 2HG2 THR 36 3HG2 THR 36 6.412 15.311 -1.429 265 3HG2 THR 36 2HG2 THR 36 7.513 14.119 -2.093 266 H GLY 37 H GLY 37 6.703 12.619 -6.710 267 1HA GLY 37 2HA GLY 37 6.758 10.052 -5.146 268 2HA GLY 37 1HA GLY 37 6.040 10.222 -6.751 269 H LEU 38 H LEU 38 8.940 11.706 -5.868 270 HA LEU 38 HA LEU 38 10.608 9.619 -7.190 271 1HB LEU 38 2HB LEU 38 9.772 11.031 -8.945 272 2HB LEU 38 1HB LEU 38 10.215 12.487 -8.122 273 HG LEU 38 HG LEU 38 12.110 10.346 -9.316 274 1HD1 LEU 38 3HD1 LEU 38 11.368 13.140 -10.301 275 2HD1 LEU 38 2HD1 LEU 38 12.541 12.076 -11.059 276 3HD1 LEU 38 1HD1 LEU 38 10.854 11.621 -11.018 277 1HD2 LEU 38 2HD2 LEU 38 12.859 13.102 -8.219 278 2HD2 LEU 38 1HD2 LEU 38 13.313 11.575 -7.481 279 3HD2 LEU 38 3HD2 LEU 38 13.937 12.002 -9.044 280 H PHE 39 H PHE 39 10.993 12.992 -6.227 281 HA PHE 39 HA PHE 39 13.438 12.360 -4.700 282 1HB PHE 39 2HB PHE 39 13.188 14.999 -4.277 283 2HB PHE 39 1HB PHE 39 13.665 14.436 -5.862 284 HD1 PHE 39 HD1 PHE 39 10.529 15.343 -3.922 285 HD2 PHE 39 HD2 PHE 39 12.443 15.121 -7.728 286 HE1 PHE 39 HE1 PHE 39 8.608 16.442 -4.970 287 HE2 PHE 39 HE2 PHE 39 10.516 16.213 -8.757 288 HZ PHE 39 HZ PHE 39 8.589 16.875 -7.374 289 H LYS 40 H LYS 40 11.837 10.905 -3.604 290 HA LYS 40 HA LYS 40 10.792 12.236 -1.151 291 1HB LYS 40 2HB LYS 40 8.882 11.614 -2.546 292 2HB LYS 40 1HB LYS 40 9.579 10.060 -2.919 293 1HG LYS 40 2HG LYS 40 9.226 9.299 -0.597 294 2HG LYS 40 1HG LYS 40 8.545 10.870 -0.159 295 1HD LYS 40 2HD LYS 40 6.678 10.479 -1.666 296 2HD LYS 40 1HD LYS 40 7.464 9.043 -2.318 297 1HE LYS 40 2HE LYS 40 7.400 7.960 -0.050 298 2HE LYS 40 1HE LYS 40 6.577 9.369 0.594 299 1HZ LYS 40 3HZ LYS 40 5.162 8.555 -1.700 300 2HZ LYS 40 2HZ LYS 40 5.483 7.178 -0.777 301 3HZ LYS 40 1HZ LYS 40 4.655 8.454 -0.085 302 H LYS 41 H LYS 41 10.337 10.512 0.489 303 HA LYS 41 HA LYS 41 12.363 8.386 0.775 304 1HB LYS 41 2HB LYS 41 12.044 10.892 2.437 305 2HB LYS 41 1HB LYS 41 11.840 9.444 3.377 306 1HG LYS 41 2HG LYS 41 14.117 10.176 3.616 307 2HG LYS 41 1HG LYS 41 14.124 8.660 2.759 308 1HD LYS 41 2HD LYS 41 14.155 11.283 1.233 309 2HD LYS 41 1HD LYS 41 15.637 10.703 1.970 310 1HE LYS 41 2HE LYS 41 15.724 8.760 0.622 311 2HE LYS 41 1HE LYS 41 14.072 8.850 0.116 312 1HZ LYS 41 1HZ LYS 41 15.440 11.234 -0.592 313 2HZ LYS 41 3HZ LYS 41 16.231 9.867 -1.229 314 3HZ LYS 41 2HZ LYS 41 14.561 10.125 -1.533 315 H CYS 42 H CYS 42 11.392 6.592 1.618 316 HA CYS 42 HA CYS 42 8.631 6.787 2.662 317 1HB CYS 42 2HB CYS 42 9.063 6.000 0.018 318 2HB CYS 42 1HB CYS 42 9.404 4.488 0.785 No H/Q in entry = 318 Start of MODEL 20 1 1H CYS 1 3H CYS 1 0.711 -0.817 -0.785 2 2H CYS 1 2H CYS 1 2.071 -1.561 -0.072 3 3H CYS 1 1H CYS 1 2.057 0.121 -0.399 4 HA CYS 1 HA CYS 1 2.945 -0.224 -2.351 5 1HB CYS 1 2HB CYS 1 4.097 -1.992 -1.642 6 2HB CYS 1 1HB CYS 1 2.688 -3.073 -1.671 7 H ALA 2 H ALA 2 1.384 0.698 -3.666 8 HA ALA 2 HA ALA 2 -0.660 -1.134 -4.872 9 1HB ALA 2 2HB ALA 2 -1.556 0.941 -3.750 10 2HB ALA 2 1HB ALA 2 -0.574 1.927 -4.822 11 3HB ALA 2 3HB ALA 2 -1.882 0.963 -5.474 12 H LYS 3 H LYS 3 -1.051 -0.379 -7.269 13 HA LYS 3 HA LYS 3 1.543 0.361 -8.591 14 1HB LYS 3 2HB LYS 3 1.153 -2.207 -8.497 15 2HB LYS 3 1HB LYS 3 -0.238 -1.956 -9.541 16 1HG LYS 3 2HG LYS 3 1.277 -0.894 -11.248 17 2HG LYS 3 1HG LYS 3 2.650 -1.194 -10.194 18 1HD LYS 3 2HD LYS 3 2.160 -3.673 -10.255 19 2HD LYS 3 1HD LYS 3 0.878 -3.376 -11.410 20 1HE LYS 3 2HE LYS 3 3.859 -2.750 -11.814 21 2HE LYS 3 1HE LYS 3 2.987 -4.083 -12.544 22 1HZ LYS 3 2HZ LYS 3 1.549 -1.760 -13.116 23 2HZ LYS 3 1HZ LYS 3 3.182 -1.419 -13.433 24 3HZ LYS 3 3HZ LYS 3 2.440 -2.735 -14.210 25 H LYS 4 H LYS 4 0.072 2.235 -8.309 26 HA LYS 4 HA LYS 4 -1.644 3.690 -8.977 27 1HB LYS 4 2HB LYS 4 0.490 4.150 -10.267 28 2HB LYS 4 1HB LYS 4 -0.165 3.253 -11.627 29 1HG LYS 4 2HG LYS 4 -2.216 5.141 -10.786 30 2HG LYS 4 1HG LYS 4 -0.708 5.998 -10.735 31 1HD LYS 4 2HD LYS 4 -1.715 6.354 -12.885 32 2HD LYS 4 1HD LYS 4 -0.237 5.438 -13.082 33 1HE LYS 4 2HE LYS 4 -1.518 3.352 -13.390 34 2HE LYS 4 1HE LYS 4 -3.029 4.161 -12.973 35 1HZ LYS 4 2HZ LYS 4 -1.805 5.566 -15.053 36 2HZ LYS 4 1HZ LYS 4 -1.795 3.920 -15.471 37 3HZ LYS 4 3HZ LYS 4 -3.258 4.690 -15.125 38 H ARG 5 H ARG 5 -3.356 1.967 -8.803 39 HA ARG 5 HA ARG 5 -4.871 1.616 -11.327 40 1HB ARG 5 2HB ARG 5 -5.084 -0.815 -11.172 41 2HB ARG 5 1HB ARG 5 -3.376 -0.446 -11.165 42 1HG ARG 5 2HG ARG 5 -3.370 -0.722 -8.639 43 2HG ARG 5 1HG ARG 5 -5.078 -1.164 -8.717 44 1HD ARG 5 2HD ARG 5 -4.323 -3.007 -10.415 45 2HD ARG 5 1HD ARG 5 -2.702 -2.699 -9.795 46 HE ARG 5 HE ARG 5 -4.979 -3.486 -7.993 47 1HH1 ARG 5 1HH2 ARG 5 -2.971 -2.939 -6.268 48 2HH1 ARG 5 2HH2 ARG 5 -1.934 -4.302 -6.173 49 1HH2 ARG 5 2HH1 ARG 5 -3.239 -5.539 -9.257 50 2HH2 ARG 5 1HH1 ARG 5 -2.096 -5.903 -8.017 51 H ASN 6 H ASN 6 -4.474 0.930 -8.108 52 HA ASN 6 HA ASN 6 -7.227 1.599 -7.040 53 1HB ASN 6 2HB ASN 6 -6.111 -0.937 -6.706 54 2HB ASN 6 1HB ASN 6 -5.048 -0.041 -5.632 55 1HD2 ASN 6 2HD2 ASN 6 -8.397 -1.134 -3.970 56 2HD2 ASN 6 1HD2 ASN 6 -7.546 -2.014 -5.155 57 H TRP 7 H TRP 7 -6.938 2.706 -5.032 58 HA TRP 7 HA TRP 7 -4.350 4.175 -5.123 59 1HB TRP 7 2HB TRP 7 -5.592 6.191 -4.598 60 2HB TRP 7 1HB TRP 7 -6.129 5.511 -6.122 61 HD1 TRP 7 HD1 TRP 7 -7.263 5.001 -2.483 62 HE1 TRP 7 HE1 TRP 7 -9.710 5.600 -2.256 63 HE3 TRP 7 HE3 TRP 7 -8.156 6.047 -7.281 64 HZ2 TRP 7 HZ2 TRP 7 -11.705 6.288 -3.858 65 HZ3 TRP 7 HZ3 TRP 7 -10.485 6.668 -7.965 66 HH2 TRP 7 HH2 TRP 7 -12.269 6.781 -6.248 67 H CYS 8 H CYS 8 -4.248 5.688 -3.434 68 HA CYS 8 HA CYS 8 -4.199 4.218 -0.863 69 1HB CYS 8 2HB CYS 8 -2.682 6.266 -0.442 70 2HB CYS 8 1HB CYS 8 -2.073 4.910 -1.355 71 H GLY 9 H GLY 9 -5.585 6.950 -2.351 72 1HA GLY 9 2HA GLY 9 -7.472 8.161 -1.510 73 2HA GLY 9 1HA GLY 9 -7.147 7.510 0.119 74 H LYS 10 H LYS 10 -4.704 7.927 0.677 75 HA LYS 10 HA LYS 10 -3.821 10.685 -0.042 76 1HB LYS 10 2HB LYS 10 -3.501 11.262 2.297 77 2HB LYS 10 1HB LYS 10 -5.172 10.757 2.079 78 1HG LYS 10 2HG LYS 10 -4.827 8.672 3.189 79 2HG LYS 10 1HG LYS 10 -3.160 8.616 2.743 80 1HD LYS 10 2HD LYS 10 -3.142 9.036 5.070 81 2HD LYS 10 1HD LYS 10 -2.673 10.514 4.272 82 1HE LYS 10 2HE LYS 10 -4.992 11.389 4.557 83 2HE LYS 10 1HE LYS 10 -5.526 9.825 5.169 84 1HZ LYS 10 3HZ LYS 10 -3.330 10.641 6.683 85 2HZ LYS 10 2HZ LYS 10 -4.433 11.945 6.666 86 3HZ LYS 10 1HZ LYS 10 -4.923 10.393 7.173 87 H ASN 11 H ASN 11 -2.763 8.118 -0.692 88 HA ASN 11 HA ASN 11 -0.568 7.807 -1.429 89 1HB ASN 11 2HB ASN 11 0.390 9.811 -0.211 90 2HB ASN 11 1HB ASN 11 0.506 8.828 1.237 91 1HD2 ASN 11 2HD2 ASN 11 2.847 6.887 -1.350 92 2HD2 ASN 11 1HD2 ASN 11 1.175 6.674 -1.322 93 H GLU 12 H GLU 12 -1.616 7.472 1.810 94 HA GLU 12 HA GLU 12 -0.598 5.813 3.412 95 1HB GLU 12 2HB GLU 12 -3.388 5.608 2.298 96 2HB GLU 12 1HB GLU 12 -2.896 4.352 3.408 97 1HG GLU 12 2HG GLU 12 -2.262 6.004 5.096 98 2HG GLU 12 1HG GLU 12 -2.639 7.329 4.061 99 H ASP 13 H ASP 13 -1.896 3.866 0.629 100 HA ASP 13 HA ASP 13 -0.054 1.721 1.613 101 1HB ASP 13 2HB ASP 13 -1.626 0.123 0.835 102 2HB ASP 13 1HB ASP 13 -2.602 1.377 1.590 103 H CYS 14 H CYS 14 0.693 3.812 -0.493 104 HA CYS 14 HA CYS 14 0.731 2.227 -2.942 105 1HB CYS 14 2HB CYS 14 2.333 4.626 -2.239 106 2HB CYS 14 1HB CYS 14 2.030 3.976 -3.835 107 H CYS 15 H CYS 15 2.741 2.072 -4.179 108 HA CYS 15 HA CYS 15 4.890 0.707 -2.673 109 1HB CYS 15 2HB CYS 15 3.261 -0.197 -4.735 110 2HB CYS 15 1HB CYS 15 4.607 0.365 -5.606 111 H CYS 16 H CYS 16 5.900 2.512 -2.249 112 HA CYS 16 HA CYS 16 6.576 4.785 -3.504 113 1HB CYS 16 2HB CYS 16 8.415 3.048 -1.972 114 2HB CYS 16 1HB CYS 16 8.687 4.732 -2.318 115 HA PRO 17 HA PRO 17 8.019 6.185 -3.951 116 1HB PRO 17 2HB PRO 17 8.467 7.906 -5.919 117 2HB PRO 17 1HB PRO 17 9.833 6.950 -5.281 118 1HG PRO 17 2HG PRO 17 8.066 6.344 -7.722 119 2HG PRO 17 1HG PRO 17 9.826 6.389 -7.688 120 1HD PRO 17 2HD PRO 17 8.408 4.022 -7.355 121 2HD PRO 17 1HD PRO 17 9.970 4.258 -6.550 122 H MET 18 H MET 18 6.220 7.306 -3.834 123 HA MET 18 HA MET 18 4.062 7.600 -5.749 124 1HB MET 18 2HB MET 18 3.984 5.162 -4.541 125 2HB MET 18 1HB MET 18 3.133 6.148 -3.360 126 1HG MET 18 2HG MET 18 1.524 5.338 -5.073 127 2HG MET 18 1HG MET 18 1.652 7.043 -5.170 128 1HE MET 18 3HE MET 18 2.342 3.650 -6.515 129 2HE MET 18 2HE MET 18 3.174 3.875 -8.038 130 3HE MET 18 1HE MET 18 4.044 4.169 -6.540 131 H LYS 19 H LYS 19 2.346 8.696 -5.014 132 HA LYS 19 HA LYS 19 2.281 10.012 -2.434 133 1HB LYS 19 2HB LYS 19 3.860 11.432 -4.018 134 2HB LYS 19 1HB LYS 19 2.469 11.580 -5.067 135 1HG LYS 19 2HG LYS 19 1.196 12.718 -3.191 136 2HG LYS 19 1HG LYS 19 2.648 12.618 -2.192 137 1HD LYS 19 2HD LYS 19 3.922 13.890 -3.845 138 2HD LYS 19 1HD LYS 19 2.569 13.908 -4.950 139 1HE LYS 19 2HE LYS 19 2.439 16.063 -4.071 140 2HE LYS 19 1HE LYS 19 1.301 15.223 -3.043 141 1HZ LYS 19 3HZ LYS 19 3.930 15.068 -1.938 142 2HZ LYS 19 2HZ LYS 19 3.555 16.665 -2.320 143 3HZ LYS 19 1HZ LYS 19 2.528 15.826 -1.275 144 H CYS 20 H CYS 20 -0.126 10.444 -2.263 145 HA CYS 20 HA CYS 20 -1.561 9.054 -4.390 146 1HB CYS 20 2HB CYS 20 -1.918 9.756 -1.759 147 2HB CYS 20 1HB CYS 20 -3.096 10.680 -2.518 148 H ILE 21 H ILE 21 -2.233 10.292 -6.217 149 HA ILE 21 HA ILE 21 -1.788 13.236 -6.150 150 HB ILE 21 HB ILE 21 -2.283 11.353 -8.506 151 1HG1 ILE 21 2HG1 ILE 21 -0.142 10.827 -7.341 152 2HG1 ILE 21 1HG1 ILE 21 0.139 11.416 -8.959 153 1HG2 ILE 21 3HG2 ILE 21 -1.258 14.210 -8.516 154 2HG2 ILE 21 2HG2 ILE 21 -1.309 13.147 -9.911 155 3HG2 ILE 21 1HG2 ILE 21 -2.797 13.640 -9.152 156 1HD1 ILE 21 2HD1 ILE 21 0.726 13.634 -7.988 157 2HD1 ILE 21 1HD1 ILE 21 0.454 12.776 -6.467 158 3HD1 ILE 21 3HD1 ILE 21 1.750 12.283 -7.493 159 H TYR 22 H TYR 22 -3.422 14.443 -7.478 160 HA TYR 22 HA TYR 22 -6.170 13.380 -7.146 161 1HB TYR 22 2HB TYR 22 -4.999 16.089 -6.270 162 2HB TYR 22 1HB TYR 22 -6.714 15.678 -6.126 163 HD1 TYR 22 HD1 TYR 22 -7.386 13.839 -4.572 164 HD2 TYR 22 HD2 TYR 22 -3.346 15.097 -4.773 165 HE1 TYR 22 HE1 TYR 22 -6.905 12.565 -2.527 166 HE2 TYR 22 HE2 TYR 22 -2.854 13.824 -2.726 167 HH TYR 22 HH TYR 22 -5.232 11.767 -1.223 168 H ALA 23 H ALA 23 -7.653 14.590 -8.609 169 HA ALA 23 HA ALA 23 -6.220 15.636 -11.029 170 1HB ALA 23 2HB ALA 23 -7.412 13.414 -11.389 171 2HB ALA 23 1HB ALA 23 -8.913 14.148 -10.849 172 3HB ALA 23 3HB ALA 23 -8.154 14.686 -12.339 173 H TRP 24 H TRP 24 -8.499 16.827 -12.192 174 HA TRP 24 HA TRP 24 -8.721 19.272 -10.751 175 1HB TRP 24 2HB TRP 24 -10.475 19.869 -12.288 176 2HB TRP 24 1HB TRP 24 -9.490 18.766 -13.224 177 HD1 TRP 24 HD1 TRP 24 -10.732 16.366 -13.916 178 HE1 TRP 24 HE1 TRP 24 -13.074 15.533 -13.644 179 HE3 TRP 24 HE3 TRP 24 -12.353 19.917 -10.771 180 HZ2 TRP 24 HZ2 TRP 24 -15.376 16.297 -12.236 181 HZ3 TRP 24 HZ3 TRP 24 -14.642 19.849 -9.939 182 HH2 TRP 24 HH2 TRP 24 -16.185 18.024 -10.673 183 H TYR 25 H TYR 25 -10.528 16.364 -10.565 184 HA TYR 25 HA TYR 25 -12.738 17.016 -9.033 185 1HB TYR 25 2HB TYR 25 -11.157 14.548 -9.436 186 2HB TYR 25 1HB TYR 25 -11.883 14.571 -7.850 187 HD1 TYR 25 HD2 TYR 25 -14.350 14.874 -7.613 188 HD2 TYR 25 HD1 TYR 25 -12.532 14.319 -11.418 189 HE1 TYR 25 HE2 TYR 25 -16.526 14.339 -8.558 190 HE2 TYR 25 HE1 TYR 25 -14.710 13.774 -12.369 191 HH TYR 25 HH TYR 25 -16.943 13.473 -11.990 192 H ASN 26 H ASN 26 -13.249 16.762 -6.798 193 HA ASN 26 HA ASN 26 -11.003 17.665 -5.029 194 1HB ASN 26 2HB ASN 26 -12.892 19.297 -5.605 195 2HB ASN 26 1HB ASN 26 -13.934 18.280 -4.608 196 1HD2 ASN 26 2HD2 ASN 26 -12.479 19.456 -1.580 197 2HD2 ASN 26 1HD2 ASN 26 -13.593 18.373 -2.282 198 H GLN 27 H GLN 27 -11.475 14.908 -5.340 199 HA GLN 27 HA GLN 27 -11.769 14.170 -2.578 200 1HB GLN 27 2HB GLN 27 -14.227 14.366 -3.314 201 2HB GLN 27 1HB GLN 27 -13.916 13.077 -4.477 202 1HG GLN 27 2HG GLN 27 -13.111 11.637 -2.482 203 2HG GLN 27 1HG GLN 27 -13.662 12.916 -1.427 204 1HE2 GLN 27 1HE2 GLN 27 -16.018 13.177 -3.605 205 2HE2 GLN 27 2HE2 GLN 27 -17.047 11.943 -3.055 206 H GLN 28 H GLN 28 -11.191 12.072 -2.224 207 HA GLN 28 HA GLN 28 -9.918 10.158 -2.437 208 1HB GLN 28 2HB GLN 28 -10.987 10.157 -5.305 209 2HB GLN 28 1HB GLN 28 -10.226 8.800 -4.514 210 1HG GLN 28 2HG GLN 28 -12.919 10.044 -3.780 211 2HG GLN 28 1HG GLN 28 -12.626 8.450 -4.423 212 1HE2 GLN 28 2HE2 GLN 28 -12.797 8.665 -0.532 213 2HE2 GLN 28 1HE2 GLN 28 -13.620 9.690 -1.609 214 H GLY 29 H GLY 29 -7.960 9.268 -3.432 215 1HA GLY 29 2HA GLY 29 -6.479 11.208 -5.160 216 2HA GLY 29 1HA GLY 29 -5.749 10.629 -3.645 217 H SER 30 H SER 30 -4.393 9.997 -5.965 218 HA SER 30 HA SER 30 -4.916 7.073 -6.137 219 1HB SER 30 2HB SER 30 -4.234 7.170 -8.578 220 2HB SER 30 1HB SER 30 -5.725 8.062 -8.248 221 HG SER 30 HG SER 30 -3.186 9.032 -8.850 222 H CYS 31 H CYS 31 -3.184 5.642 -6.222 223 HA CYS 31 HA CYS 31 -0.685 6.680 -5.246 224 1HB CYS 31 2HB CYS 31 -1.612 4.015 -6.348 225 2HB CYS 31 1HB CYS 31 0.073 4.256 -5.996 226 H GLN 32 H GLN 32 -0.018 8.298 -6.715 227 HA GLN 32 HA GLN 32 0.955 7.301 -9.334 228 1HB GLN 32 2HB GLN 32 -1.151 8.287 -9.774 229 2HB GLN 32 1HB GLN 32 -0.902 9.619 -8.725 230 1HG GLN 32 2HG GLN 32 -0.227 10.766 -10.680 231 2HG GLN 32 1HG GLN 32 1.202 9.754 -10.684 232 1HE2 GLN 32 2HE2 GLN 32 -1.597 9.385 -13.481 233 2HE2 GLN 32 1HE2 GLN 32 -1.595 10.625 -12.315 234 H THR 33 H THR 33 3.079 7.399 -9.051 235 HA THR 33 HA THR 33 4.120 9.275 -7.157 236 HB THR 33 HB THR 33 4.906 7.136 -7.311 237 HG1 THR 33 HG1 THR 33 7.115 8.713 -8.147 238 1HG2 THR 33 2HG2 THR 33 4.878 6.522 -9.554 239 2HG2 THR 33 1HG2 THR 33 6.212 7.661 -9.891 240 3HG2 THR 33 3HG2 THR 33 6.435 6.290 -8.795 241 H THR 34 H THR 34 3.159 11.063 -8.521 242 HA THR 34 HA THR 34 5.346 12.348 -10.029 243 HB THR 34 HB THR 34 3.617 11.365 -11.759 244 HG1 THR 34 HG1 THR 34 3.566 13.263 -12.830 245 1HG2 THR 34 3HG2 THR 34 1.720 11.677 -10.127 246 2HG2 THR 34 2HG2 THR 34 1.826 13.407 -10.339 247 3HG2 THR 34 1HG2 THR 34 1.365 12.388 -11.699 248 H ILE 35 H ILE 35 4.754 14.500 -10.641 249 HA ILE 35 HA ILE 35 4.449 16.725 -10.032 250 HB ILE 35 HB ILE 35 2.162 15.543 -8.963 251 1HG1 ILE 35 2HG1 ILE 35 1.477 17.907 -8.217 252 2HG1 ILE 35 1HG1 ILE 35 3.122 18.407 -8.566 253 1HG2 ILE 35 2HG2 ILE 35 3.496 16.746 -6.520 254 2HG2 ILE 35 1HG2 ILE 35 1.817 16.233 -6.648 255 3HG2 ILE 35 3HG2 ILE 35 3.066 15.046 -6.710 256 1HD1 ILE 35 2HD1 ILE 35 1.208 17.100 -10.564 257 2HD1 ILE 35 1HD1 ILE 35 1.595 18.802 -10.491 258 3HD1 ILE 35 3HD1 ILE 35 2.828 17.654 -10.950 259 H THR 36 H THR 36 4.795 14.562 -7.307 260 HA THR 36 HA THR 36 7.497 15.597 -6.730 261 HB THR 36 HB THR 36 6.780 15.754 -4.155 262 HG1 THR 36 HG1 THR 36 4.448 15.333 -5.560 263 1HG2 THR 36 1HG2 THR 36 5.430 17.750 -6.066 264 2HG2 THR 36 3HG2 THR 36 5.838 18.030 -4.384 265 3HG2 THR 36 2HG2 THR 36 7.102 17.864 -5.584 266 H GLY 37 H GLY 37 6.301 13.161 -7.810 267 1HA GLY 37 2HA GLY 37 6.637 11.136 -5.660 268 2HA GLY 37 1HA GLY 37 6.172 10.817 -7.326 269 H LEU 38 H LEU 38 8.669 12.533 -5.911 270 HA LEU 38 HA LEU 38 10.854 10.754 -6.762 271 1HB LEU 38 2HB LEU 38 10.667 12.257 -8.644 272 2HB LEU 38 1HB LEU 38 10.424 13.642 -7.611 273 HG LEU 38 HG LEU 38 12.801 13.503 -6.807 274 1HD1 LEU 38 2HD1 LEU 38 13.054 11.098 -8.684 275 2HD1 LEU 38 1HD1 LEU 38 14.370 11.848 -7.797 276 3HD1 LEU 38 3HD1 LEU 38 13.098 11.024 -6.931 277 1HD2 LEU 38 2HD2 LEU 38 12.382 14.787 -8.880 278 2HD2 LEU 38 1HD2 LEU 38 13.964 14.030 -8.923 279 3HD2 LEU 38 3HD2 LEU 38 12.637 13.340 -9.840 280 H PHE 39 H PHE 39 9.851 13.783 -5.294 281 HA PHE 39 HA PHE 39 12.022 13.768 -3.334 282 1HB PHE 39 2HB PHE 39 9.549 15.534 -3.156 283 2HB PHE 39 1HB PHE 39 11.196 15.930 -2.719 284 HD1 PHE 39 HD1 PHE 39 12.928 15.713 -4.908 285 HD2 PHE 39 HD2 PHE 39 8.750 16.506 -5.051 286 HE1 PHE 39 HE1 PHE 39 13.180 16.704 -7.136 287 HE2 PHE 39 HE2 PHE 39 8.995 17.490 -7.284 288 HZ PHE 39 HZ PHE 39 11.223 17.593 -8.332 289 H LYS 40 H LYS 40 11.103 11.453 -2.965 290 HA LYS 40 HA LYS 40 9.483 11.591 -0.493 291 1HB LYS 40 2HB LYS 40 7.870 10.870 -2.256 292 2HB LYS 40 1HB LYS 40 9.030 9.723 -2.887 293 1HG LYS 40 2HG LYS 40 7.395 8.475 -1.610 294 2HG LYS 40 1HG LYS 40 8.884 8.394 -0.724 295 1HD LYS 40 2HD LYS 40 7.575 9.058 1.092 296 2HD LYS 40 1HD LYS 40 7.755 10.667 0.430 297 1HE LYS 40 2HE LYS 40 5.387 10.268 0.755 298 2HE LYS 40 1HE LYS 40 5.695 10.292 -0.975 299 1HZ LYS 40 2HZ LYS 40 6.053 7.642 0.035 300 2HZ LYS 40 1HZ LYS 40 4.526 8.270 0.487 301 3HZ LYS 40 3HZ LYS 40 4.946 8.265 -1.134 302 H LYS 41 H LYS 41 9.907 9.886 0.908 303 HA LYS 41 HA LYS 41 12.277 8.170 0.366 304 1HB LYS 41 2HB LYS 41 11.656 9.930 2.806 305 2HB LYS 41 1HB LYS 41 12.552 8.443 3.021 306 1HG LYS 41 2HG LYS 41 14.185 9.327 1.200 307 2HG LYS 41 1HG LYS 41 13.377 10.876 1.366 308 1HD LYS 41 2HD LYS 41 13.966 11.006 3.745 309 2HD LYS 41 1HD LYS 41 14.567 9.354 3.737 310 1HE LYS 41 2HE LYS 41 16.353 10.057 2.085 311 2HE LYS 41 1HE LYS 41 15.803 11.717 2.241 312 1HZ LYS 41 3HZ LYS 41 16.204 10.665 4.829 313 2HZ LYS 41 2HZ LYS 41 17.569 10.309 3.902 314 3HZ LYS 41 1HZ LYS 41 17.058 11.916 4.067 315 H CYS 42 H CYS 42 11.850 6.073 1.259 316 HA CYS 42 HA CYS 42 9.149 5.707 2.476 317 1HB CYS 42 2HB CYS 42 9.457 5.153 -0.094 318 2HB CYS 42 1HB CYS 42 10.389 3.784 0.426 No H/Q in entry = 318
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