NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
10878 | 1qk6 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 -2.068 14.158 -1.328 2 1HB ALA 1 HB1 ALA 1 0.244 13.393 -1.773 3 2HB ALA 1 HB2 ALA 1 0.528 13.257 -0.038 4 3HB ALA 1 HB3 ALA 1 0.232 14.838 -0.761 5 H1 ALA 1 HT1 ALA 1 -1.316 13.673 1.505 6 H2 ALA 1 HT2 ALA 1 -2.897 13.968 0.957 7 H3 ALA 1 HT3 ALA 1 -1.705 15.169 0.805 8 H CYS 2 HN CYS 2 -0.729 11.671 0.899 9 HA CYS 2 HA CYS 2 -2.470 9.660 -0.470 10 1HB CYS 2 HB1 CYS 2 -0.091 9.480 -1.234 11 2HB CYS 2 HB2 CYS 2 -0.656 8.035 -0.394 12 H LYS 3 HN LYS 3 -2.420 7.528 0.963 13 HA LYS 3 HA LYS 3 -3.392 8.292 3.609 14 2HB LYS 3 HB1 LYS 3 -3.765 5.853 3.906 15 1HB LYS 3 HB2 LYS 3 -2.934 5.555 2.380 16 2HG LYS 3 HG1 LYS 3 -4.661 7.166 1.334 17 1HG LYS 3 HG2 LYS 3 -5.565 6.979 2.837 18 2HD LYS 3 HD1 LYS 3 -6.012 4.728 2.442 19 1HD LYS 3 HD2 LYS 3 -4.602 4.525 1.402 20 2HE LYS 3 HE1 LYS 3 -6.128 6.435 0.069 21 1HE LYS 3 HE2 LYS 3 -7.332 5.314 0.704 22 1HZ LYS 3 HZ1 LYS 3 -6.100 3.484 -0.281 23 2HZ LYS 3 HZ2 LYS 3 -4.942 4.566 -0.894 24 3HZ LYS 3 HZ3 LYS 3 -6.542 4.615 -1.465 25 H GLY 4 HN GLY 4 -2.578 6.631 5.455 26 2HA GLY 4 HA1 GLY 4 -0.798 6.525 7.023 27 1HA GLY 4 HA2 GLY 4 0.268 7.258 5.825 28 H VAL 5 HN VAL 5 0.986 5.007 7.391 29 HA VAL 5 HA VAL 5 1.553 3.056 5.240 30 HB VAL 5 HB VAL 5 2.582 2.839 8.065 31 1HG1 VAL 5 HG11 VAL 5 3.426 1.942 5.320 32 2HG1 VAL 5 HG12 VAL 5 3.254 0.990 6.795 33 3HG1 VAL 5 HG13 VAL 5 4.622 2.087 6.610 34 1HG2 VAL 5 HG21 VAL 5 4.587 4.190 7.063 35 2HG2 VAL 5 HG22 VAL 5 3.182 5.078 7.651 36 3HG2 VAL 5 HG23 VAL 5 3.389 4.801 5.922 37 H PHE 6 HN PHE 6 1.393 0.700 5.784 38 HA PHE 6 HA PHE 6 0.103 -1.162 6.352 39 2HB PHE 6 HB1 PHE 6 -1.109 -0.489 8.787 40 1HB PHE 6 HB2 PHE 6 0.404 0.416 8.782 41 HD1 PHE 6 HD1 PHE 6 2.562 -0.853 8.192 42 HD2 PHE 6 HD2 PHE 6 -1.124 -2.813 9.205 43 HE1 PHE 6 HE1 PHE 6 3.808 -2.937 8.693 44 HE2 PHE 6 HE2 PHE 6 0.123 -4.897 9.707 45 HZ PHE 6 HZ PHE 6 2.589 -4.958 9.452 46 H ASP 7 HN ASP 7 -1.122 0.914 4.745 47 HA ASP 7 HA ASP 7 -3.960 0.873 5.655 48 2HB ASP 7 HB1 ASP 7 -2.711 2.415 3.356 49 1HB ASP 7 HB2 ASP 7 -2.938 3.066 4.979 50 H ALA 8 HN ALA 8 -5.260 -0.660 4.775 51 HA ALA 8 HA ALA 8 -4.414 -2.511 2.778 52 1HB ALA 8 HB1 ALA 8 -6.229 -3.046 4.328 53 2HB ALA 8 HB2 ALA 8 -6.818 -3.165 2.670 54 3HB ALA 8 HB3 ALA 8 -7.220 -1.755 3.649 55 H CYS 9 HN CYS 9 -3.959 -1.964 0.711 56 HA CYS 9 HA CYS 9 -5.880 -0.197 -0.744 57 2HB CYS 9 HB1 CYS 9 -3.983 1.213 -0.258 58 1HB CYS 9 HB2 CYS 9 -3.879 0.762 -1.959 59 H THR 10 HN THR 10 -5.630 -0.439 -3.161 60 HA THR 10 HA THR 10 -5.330 -3.303 -3.827 61 HB THR 10 HB THR 10 -6.276 -0.974 -5.534 62 HG1 THR 10 HG1 THR 10 -7.952 -1.194 -4.293 63 1HG2 THR 10 HG21 THR 10 -6.414 -3.975 -5.939 64 2HG2 THR 10 HG22 THR 10 -5.475 -2.831 -6.897 65 3HG2 THR 10 HG23 THR 10 -7.237 -2.788 -6.951 66 HA PRO 11 HA PRO 11 -1.280 -2.512 -5.472 67 2HB PRO 11 HB1 PRO 11 -0.705 -4.629 -4.755 68 1HB PRO 11 HB2 PRO 11 -0.883 -5.048 -6.468 69 1HG PRO 11 HG1 PRO 11 -2.356 -6.212 -4.426 70 2HG PRO 11 HG2 PRO 11 -2.912 -6.113 -6.105 71 1HD PRO 11 HD2 PRO 11 -4.646 -4.821 -5.325 72 2HD PRO 11 HD1 PRO 11 -3.879 -4.643 -3.732 73 H GLY 12 HN GLY 12 -0.613 -1.762 -7.454 74 2HA GLY 12 HA1 GLY 12 -1.958 -2.731 -9.919 75 1HA GLY 12 HA2 GLY 12 -0.477 -1.775 -9.865 76 H LYS 13 HN LYS 13 -2.985 -0.697 -7.748 77 HA LYS 13 HA LYS 13 -4.137 1.166 -9.729 78 2HB LYS 13 HB1 LYS 13 -5.375 1.907 -7.498 79 1HB LYS 13 HB2 LYS 13 -4.805 0.338 -6.931 80 2HG LYS 13 HG1 LYS 13 -6.424 -0.706 -8.099 81 1HG LYS 13 HG2 LYS 13 -5.883 0.063 -9.592 82 2HD LYS 13 HD1 LYS 13 -7.177 2.108 -8.939 83 1HD LYS 13 HD2 LYS 13 -7.796 1.225 -7.542 84 2HE LYS 13 HE1 LYS 13 -8.833 -0.431 -9.009 85 1HE LYS 13 HE2 LYS 13 -8.134 0.349 -10.428 86 1HZ LYS 13 HZ1 LYS 13 -10.058 1.605 -8.545 87 2HZ LYS 13 HZ2 LYS 13 -10.437 1.006 -10.089 88 3HZ LYS 13 HZ3 LYS 13 -9.397 2.339 -9.924 89 H ASN 14 HN ASN 14 -1.633 1.139 -7.396 90 HA ASN 14 HA ASN 14 -0.213 2.796 -6.565 91 2HB ASN 14 HB1 ASN 14 0.036 4.829 -8.060 92 1HB ASN 14 HB2 ASN 14 -1.256 4.166 -9.062 93 1HD2 ASN 14 HD21 ASN 14 2.044 3.469 -7.841 94 2HD2 ASN 14 HD22 ASN 14 2.437 2.365 -9.069 95 H GLU 15 HN GLU 15 -2.619 2.662 -5.227 96 HA GLU 15 HA GLU 15 -3.816 5.338 -5.019 97 2HB GLU 15 HB1 GLU 15 -4.848 4.070 -2.902 98 1HB GLU 15 HB2 GLU 15 -4.297 2.653 -3.796 99 2HG GLU 15 HG1 GLU 15 -5.664 3.166 -5.663 100 1HG GLU 15 HG2 GLU 15 -5.912 4.829 -5.132 101 H CYS 16 HN CYS 16 -1.573 3.309 -3.157 102 HA CYS 16 HA CYS 16 -1.372 5.145 -0.914 103 2HB CYS 16 HB1 CYS 16 0.859 3.266 -1.523 104 1HB CYS 16 HB2 CYS 16 -0.723 2.550 -1.221 105 H CYS 17 HN CYS 17 1.069 5.835 -0.360 106 HA CYS 17 HA CYS 17 1.801 7.888 -2.228 107 2HB CYS 17 HB1 CYS 17 4.042 7.410 -0.604 108 1HB CYS 17 HB2 CYS 17 2.659 6.962 0.394 109 HA PRO 18 HA PRO 18 4.632 5.858 -4.914 110 2HB PRO 18 HB1 PRO 18 4.999 7.874 -5.957 111 1HB PRO 18 HB2 PRO 18 6.598 7.764 -5.200 112 1HG PRO 18 HG1 PRO 18 4.823 9.841 -4.754 113 2HG PRO 18 HG2 PRO 18 6.064 9.348 -3.590 114 1HD PRO 18 HD2 PRO 18 4.332 8.865 -2.157 115 2HD PRO 18 HD1 PRO 18 3.130 8.991 -3.459 116 H ASN 19 HN ASN 19 6.063 7.209 -1.953 117 HA ASN 19 HA ASN 19 8.533 5.701 -2.142 118 2HB ASN 19 HB1 ASN 19 8.872 6.390 0.209 119 1HB ASN 19 HB2 ASN 19 7.216 6.995 0.263 120 1HD2 ASN 19 HD21 ASN 19 6.759 9.017 -0.822 121 2HD2 ASN 19 HD22 ASN 19 7.985 9.992 -1.475 122 H ARG 20 HN ARG 20 5.338 5.014 -1.020 123 HA ARG 20 HA ARG 20 6.268 2.481 0.259 124 2HB ARG 20 HB1 ARG 20 3.871 2.426 1.141 125 1HB ARG 20 HB2 ARG 20 3.701 4.067 0.517 126 1HG ARG 20 HG1 ARG 20 6.122 3.559 2.157 127 2HG ARG 20 HG2 ARG 20 4.588 3.498 3.025 128 2HD ARG 20 HD1 ARG 20 4.331 5.739 1.390 129 1HD ARG 20 HD2 ARG 20 6.010 5.804 1.925 130 HE ARG 20 HE ARG 20 4.996 5.528 4.295 131 1HH1 ARG 20 HH11 ARG 20 2.155 5.455 3.641 132 2HH1 ARG 20 HH12 ARG 20 1.673 7.117 3.719 133 1HH2 ARG 20 HH21 ARG 20 4.921 8.342 3.528 134 2HH2 ARG 20 HH22 ARG 20 3.244 8.757 3.655 135 H VAL 21 HN VAL 21 4.696 0.585 -0.140 136 HA VAL 21 HA VAL 21 3.496 0.695 -2.869 137 HB VAL 21 HB VAL 21 4.480 -1.606 -3.288 138 1HG1 VAL 21 HG11 VAL 21 6.612 -0.726 -4.043 139 2HG1 VAL 21 HG12 VAL 21 6.506 0.617 -2.905 140 3HG1 VAL 21 HG13 VAL 21 5.385 0.521 -4.262 141 1HG2 VAL 21 HG21 VAL 21 6.291 -0.816 -0.980 142 2HG2 VAL 21 HG22 VAL 21 6.422 -2.273 -1.964 143 3HG2 VAL 21 HG23 VAL 21 5.042 -2.058 -0.888 144 H CYS 22 HN CYS 22 1.858 -0.919 -3.237 145 HA CYS 22 HA CYS 22 0.430 -1.691 -0.782 146 2HB CYS 22 HB1 CYS 22 -1.267 -2.577 -2.474 147 1HB CYS 22 HB2 CYS 22 -0.223 -1.914 -3.732 148 H SER 23 HN SER 23 1.145 -3.517 0.214 149 HA SER 23 HA SER 23 2.594 -5.620 -1.126 150 2HB SER 23 HB1 SER 23 1.164 -5.891 1.525 151 1HB SER 23 HB2 SER 23 2.676 -5.004 1.363 152 HG SER 23 HG SER 23 3.723 -6.818 0.768 153 H ASP 24 HN ASP 24 1.896 -7.660 -1.794 154 HA ASP 24 HA ASP 24 -1.020 -7.918 -2.278 155 2HB ASP 24 HB1 ASP 24 0.884 -9.993 -3.249 156 1HB ASP 24 HB2 ASP 24 1.055 -8.381 -3.944 157 H LYS 25 HN LYS 25 1.674 -9.757 -0.815 158 HA LYS 25 HA LYS 25 0.034 -11.945 0.117 159 2HB LYS 25 HB1 LYS 25 1.999 -12.430 1.605 160 1HB LYS 25 HB2 LYS 25 2.737 -10.926 1.051 161 2HG LYS 25 HG1 LYS 25 1.996 -12.201 -1.311 162 1HG LYS 25 HG2 LYS 25 2.565 -13.522 -0.290 163 2HD LYS 25 HD1 LYS 25 4.600 -12.039 0.216 164 1HD LYS 25 HD2 LYS 25 4.060 -11.028 -1.126 165 2HE LYS 25 HE1 LYS 25 4.480 -12.683 -2.712 166 1HE LYS 25 HE2 LYS 25 4.313 -13.991 -1.541 167 1HZ LYS 25 HZ1 LYS 25 6.550 -12.037 -1.606 168 2HZ LYS 25 HZ2 LYS 25 6.623 -13.626 -2.202 169 3HZ LYS 25 HZ3 LYS 25 6.396 -13.349 -0.541 170 H HIS 26 HN HIS 26 1.115 -8.890 1.570 171 HA HIS 26 HA HIS 26 -0.297 -9.491 4.096 172 2HB HIS 26 HB1 HIS 26 0.602 -7.295 4.814 173 1HB HIS 26 HB2 HIS 26 1.261 -7.048 3.198 174 HD1 HIS 26 HD1 HIS 26 1.602 -9.357 6.191 175 HD2 HIS 26 HD2 HIS 26 3.685 -8.373 2.718 176 HE1 HIS 26 HE1 HIS 26 3.849 -10.514 6.350 177 H LYS 27 HN LYS 27 -0.725 -7.614 1.162 178 HA LYS 27 HA LYS 27 -2.613 -6.557 0.298 179 2HB LYS 27 HB1 LYS 27 -4.430 -7.036 2.546 180 1HB LYS 27 HB2 LYS 27 -3.655 -8.508 1.959 181 2HG LYS 27 HG1 LYS 27 -4.628 -8.346 -0.134 182 1HG LYS 27 HG2 LYS 27 -4.738 -6.587 -0.064 183 2HD LYS 27 HD1 LYS 27 -6.608 -6.696 1.455 184 1HD LYS 27 HD2 LYS 27 -6.403 -8.435 1.670 185 2HE LYS 27 HE1 LYS 27 -8.125 -8.372 0.098 186 1HE LYS 27 HE2 LYS 27 -6.712 -8.490 -0.950 187 1HZ LYS 27 HZ1 LYS 27 -8.087 -5.972 -0.179 188 2HZ LYS 27 HZ2 LYS 27 -8.213 -6.748 -1.685 189 3HZ LYS 27 HZ3 LYS 27 -6.729 -6.087 -1.189 190 H TRP 28 HN TRP 28 -0.737 -5.174 2.214 191 HA TRP 28 HA TRP 28 -2.521 -2.860 2.697 192 1HB TRP 28 HB1 TRP 28 -2.454 -4.065 4.857 193 2HB TRP 28 HB2 TRP 28 -1.710 -2.477 4.964 194 HD1 TRP 28 HD1 TRP 28 1.175 -2.823 4.178 195 HE1 TRP 28 HE1 TRP 28 2.788 -4.374 5.449 196 HE3 TRP 28 HE3 TRP 28 -2.188 -5.946 6.412 197 HZ2 TRP 28 HZ2 TRP 28 2.671 -6.639 7.189 198 HZ3 TRP 28 HZ3 TRP 28 -1.410 -7.788 7.874 199 HH2 TRP 28 HH2 TRP 28 1.012 -8.139 8.265 200 H CYS 29 HN CYS 29 -1.233 -0.855 3.198 201 HA CYS 29 HA CYS 29 0.970 -0.621 1.306 202 2HB CYS 29 HB1 CYS 29 0.186 1.479 3.326 203 1HB CYS 29 HB2 CYS 29 -0.825 1.152 1.919 204 H LYS 30 HN LYS 30 3.168 -0.284 1.795 205 HA LYS 30 HA LYS 30 4.059 -0.055 4.574 206 2HB LYS 30 HB1 LYS 30 3.695 -2.449 4.517 207 1HB LYS 30 HB2 LYS 30 5.431 -2.151 4.483 208 2HG LYS 30 HG1 LYS 30 4.834 -2.154 1.807 209 1HG LYS 30 HG2 LYS 30 3.677 -3.334 2.419 210 2HD LYS 30 HD1 LYS 30 6.678 -3.370 2.880 211 1HD LYS 30 HD2 LYS 30 5.785 -4.443 1.805 212 1HE LYS 30 HE1 LYS 30 5.252 -4.244 4.784 213 2HE LYS 30 HE2 LYS 30 6.337 -5.435 4.071 214 1HZ LYS 30 HZ1 LYS 30 4.525 -6.298 2.765 215 2HZ LYS 30 HZ2 LYS 30 3.469 -5.110 3.366 216 3HZ LYS 30 HZ3 LYS 30 4.090 -6.302 4.404 217 H TRP 31 HN TRP 31 6.586 -0.243 4.593 218 HA TRP 31 HA TRP 31 7.585 1.595 2.563 219 2HB TRP 31 HB1 TRP 31 9.773 1.225 3.879 220 1HB TRP 31 HB2 TRP 31 8.797 0.262 4.989 221 HD1 TRP 31 HD1 TRP 31 7.707 1.570 6.876 222 HE1 TRP 31 HE1 TRP 31 7.090 4.038 7.295 223 HE3 TRP 31 HE3 TRP 31 9.015 3.575 2.373 224 HZ2 TRP 31 HZ2 TRP 31 7.148 6.538 5.899 225 HZ3 TRP 31 HZ3 TRP 31 8.728 5.999 1.942 226 HH2 TRP 31 HH2 TRP 31 7.796 7.481 3.696 227 H LYS 32 HN LYS 32 9.566 1.147 1.316 228 HA LYS 32 HA LYS 32 9.537 -1.610 0.237 229 1HB LYS 32 HB1 LYS 32 10.654 -0.708 -1.695 230 2HB LYS 32 HB2 LYS 32 11.024 0.792 -0.842 231 2HG LYS 32 HG1 LYS 32 8.575 1.236 -0.646 232 1HG LYS 32 HG2 LYS 32 8.262 -0.219 -1.592 233 1HD LYS 32 HD1 LYS 32 10.017 2.037 -2.593 234 2HD LYS 32 HD2 LYS 32 8.282 1.977 -2.900 235 2HE LYS 32 HE1 LYS 32 8.842 -0.481 -3.719 236 1HE LYS 32 HE2 LYS 32 10.459 0.189 -3.932 237 1HZ LYS 32 HZ1 LYS 32 9.451 1.988 -5.252 238 2HZ LYS 32 HZ2 LYS 32 7.943 1.215 -5.129 239 3HZ LYS 32 HZ3 LYS 32 9.224 0.459 -5.949 240 H LEU 33 HN LEU 33 11.710 0.731 1.684 241 HA LEU 33 HA LEU 33 13.509 -1.455 2.519 242 2HB LEU 33 HB1 LEU 33 14.879 0.891 1.276 243 1HB LEU 33 HB2 LEU 33 14.168 -0.303 0.190 244 HG LEU 33 HG LEU 33 15.772 -1.345 2.479 245 1HD1 LEU 33 HD11 LEU 33 16.411 -3.005 0.795 246 2HD1 LEU 33 HD12 LEU 33 15.635 -2.052 -0.469 247 3HD1 LEU 33 HD13 LEU 33 14.659 -2.803 0.793 248 1HD2 LEU 33 HD21 LEU 33 17.043 -0.116 0.010 249 2HD2 LEU 33 HD22 LEU 33 17.887 -0.979 1.296 250 3HD2 LEU 33 HD23 LEU 33 17.120 0.573 1.631 No H/Q in entry = 250 Start of MODEL 2 1 HA ALA 1 HA ALA 1 -0.445 6.824 10.757 2 1HB ALA 1 HB1 ALA 1 -2.646 5.278 12.164 3 2HB ALA 1 HB2 ALA 1 -1.416 6.262 12.957 4 3HB ALA 1 HB3 ALA 1 -0.949 4.804 12.084 5 H1 ALA 1 HT1 ALA 1 -2.264 8.196 9.985 6 H2 ALA 1 HT2 ALA 1 -2.202 8.210 11.682 7 H3 ALA 1 HT3 ALA 1 -3.378 7.282 10.880 8 H CYS 2 HN CYS 2 0.164 5.484 9.112 9 HA CYS 2 HA CYS 2 -1.922 4.543 7.239 10 2HB CYS 2 HB1 CYS 2 0.045 5.668 6.303 11 1HB CYS 2 HB2 CYS 2 0.003 3.988 5.769 12 H LYS 3 HN LYS 3 -1.489 2.266 6.261 13 HA LYS 3 HA LYS 3 -1.599 0.328 8.438 14 2HB LYS 3 HB1 LYS 3 -1.695 -1.317 6.446 15 1HB LYS 3 HB2 LYS 3 -1.744 0.121 5.428 16 2HG LYS 3 HG1 LYS 3 -4.023 -0.449 5.822 17 1HG LYS 3 HG2 LYS 3 -3.693 0.902 6.905 18 1HD LYS 3 HD1 LYS 3 -2.988 -1.558 8.223 19 2HD LYS 3 HD2 LYS 3 -4.631 -1.691 7.594 20 2HE LYS 3 HE1 LYS 3 -5.234 0.426 8.699 21 1HE LYS 3 HE2 LYS 3 -3.585 0.590 9.303 22 1HZ LYS 3 HZ1 LYS 3 -5.446 -1.637 9.940 23 2HZ LYS 3 HZ2 LYS 3 -5.051 -0.349 10.975 24 3HZ LYS 3 HZ3 LYS 3 -3.861 -1.475 10.523 25 H GLY 4 HN GLY 4 -0.308 -1.879 7.742 26 2HA GLY 4 HA1 GLY 4 1.877 -2.732 8.245 27 1HA GLY 4 HA2 GLY 4 2.546 -1.124 7.959 28 H VAL 5 HN VAL 5 3.399 -3.725 6.827 29 HA VAL 5 HA VAL 5 3.390 -2.915 3.978 30 HB VAL 5 HB VAL 5 4.854 -5.339 4.965 31 1HG1 VAL 5 HG11 VAL 5 5.305 -3.173 2.905 32 2HG1 VAL 5 HG12 VAL 5 5.052 -4.897 2.631 33 3HG1 VAL 5 HG13 VAL 5 6.560 -4.331 3.349 34 1HG2 VAL 5 HG21 VAL 5 5.541 -3.874 6.687 35 2HG2 VAL 5 HG22 VAL 5 5.486 -2.463 5.630 36 3HG2 VAL 5 HG23 VAL 5 6.780 -3.647 5.452 37 H PHE 6 HN PHE 6 2.959 -4.535 2.302 38 HA PHE 6 HA PHE 6 1.512 -6.059 1.273 39 2HB PHE 6 HB1 PHE 6 1.171 -8.198 2.812 40 1HB PHE 6 HB2 PHE 6 2.455 -7.443 3.757 41 HD1 PHE 6 HD1 PHE 6 4.680 -7.028 2.752 42 HD2 PHE 6 HD2 PHE 6 1.581 -9.076 0.595 43 HE1 PHE 6 HE1 PHE 6 6.355 -7.833 1.110 44 HE2 PHE 6 HE2 PHE 6 3.256 -9.881 -1.046 45 HZ PHE 6 HZ PHE 6 5.642 -9.259 -0.789 46 H ASP 7 HN ASP 7 0.278 -3.921 2.817 47 HA ASP 7 HA ASP 7 -2.151 -5.233 3.942 48 2HB ASP 7 HB1 ASP 7 -2.599 -2.640 4.438 49 1HB ASP 7 HB2 ASP 7 -0.844 -2.562 4.275 50 H ALA 8 HN ALA 8 -3.796 -5.504 2.517 51 HA ALA 8 HA ALA 8 -3.918 -4.477 -0.102 52 1HB ALA 8 HB1 ALA 8 -5.306 -6.359 0.651 53 2HB ALA 8 HB2 ALA 8 -6.314 -5.099 -0.061 54 3HB ALA 8 HB3 ALA 8 -6.230 -5.275 1.692 55 H CYS 9 HN CYS 9 -3.994 -2.376 -0.690 56 HA CYS 9 HA CYS 9 -5.980 -0.591 0.614 57 2HB CYS 9 HB1 CYS 9 -3.873 -0.147 1.793 58 1HB CYS 9 HB2 CYS 9 -4.297 1.229 0.776 59 H THR 10 HN THR 10 -6.656 1.150 -0.747 60 HA THR 10 HA THR 10 -6.184 0.645 -3.629 61 HB THR 10 HB THR 10 -8.106 2.619 -2.356 62 HG1 THR 10 HG1 THR 10 -8.500 -0.078 -3.152 63 1HG2 THR 10 HG21 THR 10 -7.983 1.323 -5.095 64 2HG2 THR 10 HG22 THR 10 -7.650 3.016 -4.729 65 3HG2 THR 10 HG23 THR 10 -9.281 2.375 -4.530 66 HA PRO 11 HA PRO 11 -3.365 4.065 -3.768 67 2HB PRO 11 HB1 PRO 11 -2.271 2.941 -5.458 68 1HB PRO 11 HB2 PRO 11 -3.090 4.110 -6.508 69 1HG PRO 11 HG1 PRO 11 -3.408 1.364 -6.710 70 2HG PRO 11 HG2 PRO 11 -4.628 2.533 -7.242 71 1HD PRO 11 HD2 PRO 11 -6.019 1.601 -5.665 72 2HD PRO 11 HD1 PRO 11 -4.676 0.715 -4.910 73 H GLY 12 HN GLY 12 -3.677 6.262 -3.898 74 2HA GLY 12 HA1 GLY 12 -5.865 7.313 -5.627 75 1HA GLY 12 HA2 GLY 12 -4.549 8.276 -4.956 76 H LYS 13 HN LYS 13 -5.907 6.014 -2.740 77 HA LYS 13 HA LYS 13 -7.895 7.928 -1.684 78 2HB LYS 13 HB1 LYS 13 -8.110 5.958 0.055 79 1HB LYS 13 HB2 LYS 13 -7.242 5.048 -1.180 80 1HG LYS 13 HG1 LYS 13 -9.693 6.682 -1.851 81 2HG LYS 13 HG2 LYS 13 -9.823 5.019 -1.278 82 2HD LYS 13 HD1 LYS 13 -9.406 4.294 -3.366 83 1HD LYS 13 HD2 LYS 13 -7.816 5.054 -3.296 84 2HE LYS 13 HE1 LYS 13 -8.643 7.088 -4.230 85 1HE LYS 13 HE2 LYS 13 -10.320 6.611 -3.971 86 1HZ LYS 13 HZ1 LYS 13 -8.439 5.214 -5.795 87 2HZ LYS 13 HZ2 LYS 13 -9.586 6.364 -6.292 88 3HZ LYS 13 HZ3 LYS 13 -10.094 4.895 -5.607 89 H ASN 14 HN ASN 14 -5.454 5.918 -0.115 90 HA ASN 14 HA ASN 14 -4.762 8.239 1.642 91 2HB ASN 14 HB1 ASN 14 -4.019 6.475 3.285 92 1HB ASN 14 HB2 ASN 14 -4.701 5.262 2.203 93 1HD2 ASN 14 HD21 ASN 14 -7.084 5.312 1.871 94 2HD2 ASN 14 HD22 ASN 14 -8.087 6.082 3.003 95 H GLU 15 HN GLU 15 -3.547 6.032 -0.714 96 HA GLU 15 HA GLU 15 -1.438 5.777 -1.669 97 2HB GLU 15 HB1 GLU 15 0.256 7.578 -1.192 98 1HB GLU 15 HB2 GLU 15 -0.882 8.275 -0.041 99 1HG GLU 15 HG1 GLU 15 -1.964 7.665 -2.742 100 2HG GLU 15 HG2 GLU 15 -0.795 8.982 -2.659 101 H CYS 16 HN CYS 16 -2.163 4.787 1.224 102 HA CYS 16 HA CYS 16 -1.115 3.541 2.902 103 2HB CYS 16 HB1 CYS 16 1.349 3.025 1.399 104 1HB CYS 16 HB2 CYS 16 -0.107 2.734 0.448 105 H CYS 17 HN CYS 17 1.703 3.237 3.417 106 HA CYS 17 HA CYS 17 2.213 5.628 4.956 107 2HB CYS 17 HB1 CYS 17 4.365 4.517 5.493 108 1HB CYS 17 HB2 CYS 17 4.056 3.324 4.235 109 HA PRO 18 HA PRO 18 4.621 8.016 2.141 110 2HB PRO 18 HB1 PRO 18 4.981 9.560 3.807 111 1HB PRO 18 HB2 PRO 18 6.645 8.953 3.759 112 1HG PRO 18 HG1 PRO 18 5.042 8.875 6.015 113 2HG PRO 18 HG2 PRO 18 6.375 7.745 5.724 114 1HD PRO 18 HD2 PRO 18 4.785 6.086 5.744 115 2HD PRO 18 HD1 PRO 18 3.457 7.259 5.634 116 H ASN 19 HN ASN 19 6.303 5.493 3.935 117 HA ASN 19 HA ASN 19 8.589 5.528 2.047 118 2HB ASN 19 HB1 ASN 19 9.541 3.793 3.534 119 1HB ASN 19 HB2 ASN 19 8.056 3.801 4.485 120 1HD2 ASN 19 HD21 ASN 19 7.642 5.681 5.856 121 2HD2 ASN 19 HD22 ASN 19 8.853 6.826 6.181 122 H ARG 20 HN ARG 20 5.528 4.148 2.210 123 HA ARG 20 HA ARG 20 6.354 1.925 0.387 124 2HB ARG 20 HB1 ARG 20 4.277 0.731 1.320 125 1HB ARG 20 HB2 ARG 20 4.309 1.924 2.618 126 1HG ARG 20 HG1 ARG 20 6.890 0.580 2.011 127 2HG ARG 20 HG2 ARG 20 5.642 -0.431 2.738 128 2HD ARG 20 HD1 ARG 20 5.525 1.941 4.204 129 1HD ARG 20 HD2 ARG 20 7.250 1.686 3.947 130 HE ARG 20 HE ARG 20 6.665 -0.737 4.819 131 1HH1 ARG 20 HH11 ARG 20 7.513 0.956 7.003 132 2HH1 ARG 20 HH12 ARG 20 6.145 0.998 8.065 133 1HH2 ARG 20 HH21 ARG 20 3.908 -0.130 5.657 134 2HH2 ARG 20 HH22 ARG 20 4.098 0.381 7.301 135 H VAL 21 HN VAL 21 4.169 1.146 -0.801 136 HA VAL 21 HA VAL 21 2.376 3.417 -1.414 137 HB VAL 21 HB VAL 21 2.823 2.919 -3.940 138 1HG1 VAL 21 HG11 VAL 21 3.341 5.036 -2.668 139 2HG1 VAL 21 HG12 VAL 21 4.431 4.714 -4.017 140 3HG1 VAL 21 HG13 VAL 21 4.952 4.386 -2.364 141 1HG2 VAL 21 HG21 VAL 21 5.549 2.203 -2.836 142 2HG2 VAL 21 HG22 VAL 21 4.993 2.106 -4.506 143 3HG2 VAL 21 HG23 VAL 21 4.376 0.972 -3.304 144 H CYS 22 HN CYS 22 0.472 2.758 -2.602 145 HA CYS 22 HA CYS 22 -0.311 -0.014 -2.048 146 2HB CYS 22 HB1 CYS 22 -2.501 0.742 -3.087 147 1HB CYS 22 HB2 CYS 22 -1.769 2.333 -3.296 148 H SER 23 HN SER 23 0.448 -1.537 -3.437 149 HA SER 23 HA SER 23 1.154 -0.989 -6.188 150 2HB SER 23 HB1 SER 23 0.604 -3.782 -5.297 151 1HB SER 23 HB2 SER 23 1.896 -2.913 -4.477 152 HG SER 23 HG SER 23 1.719 -3.741 -7.121 153 H ASP 24 HN ASP 24 0.086 -1.717 -8.093 154 HA ASP 24 HA ASP 24 -2.859 -1.938 -7.811 155 2HB ASP 24 HB1 ASP 24 -2.761 -1.692 -10.354 156 1HB ASP 24 HB2 ASP 24 -1.030 -1.413 -10.167 157 H LYS 25 HN LYS 25 -0.183 -3.630 -9.496 158 HA LYS 25 HA LYS 25 -1.790 -5.878 -10.322 159 2HB LYS 25 HB1 LYS 25 1.167 -6.104 -9.810 160 1HB LYS 25 HB2 LYS 25 0.587 -5.089 -11.131 161 2HG LYS 25 HG1 LYS 25 -0.829 -7.153 -11.813 162 1HG LYS 25 HG2 LYS 25 0.244 -8.064 -10.750 163 2HD LYS 25 HD1 LYS 25 2.192 -7.311 -12.024 164 1HD LYS 25 HD2 LYS 25 1.166 -6.297 -13.039 165 2HE LYS 25 HE1 LYS 25 0.360 -8.084 -14.236 166 1HE LYS 25 HE2 LYS 25 0.424 -9.175 -12.853 167 1HZ LYS 25 HZ1 LYS 25 2.803 -9.314 -13.079 168 2HZ LYS 25 HZ2 LYS 25 2.791 -8.193 -14.357 169 3HZ LYS 25 HZ3 LYS 25 2.077 -9.722 -14.556 170 H HIS 26 HN HIS 26 0.062 -5.131 -7.412 171 HA HIS 26 HA HIS 26 -0.364 -7.832 -6.290 172 2HB HIS 26 HB1 HIS 26 0.703 -6.486 -4.239 173 1HB HIS 26 HB2 HIS 26 1.195 -5.398 -5.531 174 HD1 HIS 26 HD1 HIS 26 3.637 -6.414 -4.648 175 HD2 HIS 26 HD2 HIS 26 1.214 -8.927 -6.928 176 HE1 HIS 26 HE1 HIS 26 5.139 -8.252 -5.529 177 H LYS 27 HN LYS 27 -1.672 -4.580 -6.056 178 HA LYS 27 HA LYS 27 -3.614 -3.766 -5.065 179 2HB LYS 27 HB1 LYS 27 -5.326 -5.433 -4.313 180 1HB LYS 27 HB2 LYS 27 -4.169 -6.718 -4.655 181 2HG LYS 27 HG1 LYS 27 -4.172 -6.251 -6.979 182 1HG LYS 27 HG2 LYS 27 -4.907 -4.665 -6.744 183 2HD LYS 27 HD1 LYS 27 -7.015 -5.526 -6.642 184 1HD LYS 27 HD2 LYS 27 -6.499 -6.926 -5.701 185 1HE LYS 27 HE1 LYS 27 -5.546 -6.831 -8.513 186 2HE LYS 27 HE2 LYS 27 -7.278 -7.081 -8.297 187 1HZ LYS 27 HZ1 LYS 27 -5.171 -8.671 -6.937 188 2HZ LYS 27 HZ2 LYS 27 -5.991 -9.163 -8.342 189 3HZ LYS 27 HZ3 LYS 27 -6.844 -8.951 -6.888 190 H TRP 28 HN TRP 28 -1.087 -4.351 -3.444 191 HA TRP 28 HA TRP 28 -2.354 -3.804 -0.842 192 2HB TRP 28 HB1 TRP 28 -2.128 -6.218 -0.717 193 1HB TRP 28 HB2 TRP 28 -0.957 -5.474 0.361 194 HD1 TRP 28 HD1 TRP 28 1.492 -4.906 -1.287 195 HE1 TRP 28 HE1 TRP 28 2.815 -6.752 -2.500 196 HE3 TRP 28 HE3 TRP 28 -2.109 -8.515 -1.598 197 HZ2 TRP 28 HZ2 TRP 28 2.405 -9.409 -3.473 198 HZ3 TRP 28 HZ3 TRP 28 -1.613 -10.694 -2.669 199 HH2 TRP 28 HH2 TRP 28 0.637 -11.145 -3.606 200 H CYS 29 HN CYS 29 -0.608 -3.208 0.820 201 HA CYS 29 HA CYS 29 1.060 -1.145 -0.298 202 2HB CYS 29 HB1 CYS 29 1.657 -2.171 2.432 203 1HB CYS 29 HB2 CYS 29 0.026 -1.560 2.158 204 H LYS 30 HN LYS 30 3.285 -1.116 -0.651 205 HA LYS 30 HA LYS 30 4.903 -3.482 0.061 206 2HB LYS 30 HB1 LYS 30 3.996 -4.144 -2.098 207 1HB LYS 30 HB2 LYS 30 5.703 -3.749 -2.291 208 2HG LYS 30 HG1 LYS 30 4.586 -1.310 -2.746 209 1HG LYS 30 HG2 LYS 30 3.303 -2.361 -3.347 210 2HD LYS 30 HD1 LYS 30 4.810 -3.448 -4.877 211 1HD LYS 30 HD2 LYS 30 6.210 -2.663 -4.145 212 1HE LYS 30 HE1 LYS 30 4.096 -0.824 -5.108 213 2HE LYS 30 HE2 LYS 30 4.933 -1.729 -6.370 214 1HZ LYS 30 HZ1 LYS 30 6.007 0.405 -5.797 215 2HZ LYS 30 HZ2 LYS 30 7.026 -0.937 -5.581 216 3HZ LYS 30 HZ3 LYS 30 6.306 -0.188 -4.236 217 H TRP 31 HN TRP 31 7.247 -3.101 -0.550 218 HA TRP 31 HA TRP 31 8.041 -0.436 0.287 219 2HB TRP 31 HB1 TRP 31 10.383 -1.420 -0.253 220 1HB TRP 31 HB2 TRP 31 9.522 -2.936 -0.519 221 HD1 TRP 31 HD1 TRP 31 9.242 -4.370 1.558 222 HE1 TRP 31 HE1 TRP 31 9.225 -3.956 4.103 223 HE3 TRP 31 HE3 TRP 31 9.709 0.710 1.624 224 HZ2 TRP 31 HZ2 TRP 31 9.392 -1.757 5.926 225 HZ3 TRP 31 HZ3 TRP 31 9.779 1.940 3.775 226 HH2 TRP 31 HH2 TRP 31 9.620 0.714 5.924 227 H LYS 32 HN LYS 32 9.732 0.788 -0.989 228 HA LYS 32 HA LYS 32 9.302 0.585 -3.939 229 2HB LYS 32 HB1 LYS 32 7.909 2.391 -3.571 230 1HB LYS 32 HB2 LYS 32 9.445 3.237 -3.740 231 2HG LYS 32 HG1 LYS 32 9.520 2.694 -1.090 232 1HG LYS 32 HG2 LYS 32 7.774 2.795 -1.316 233 1HD LYS 32 HD1 LYS 32 9.354 4.932 -2.633 234 2HD LYS 32 HD2 LYS 32 9.373 4.958 -0.870 235 2HE LYS 32 HE1 LYS 32 7.400 6.068 -1.061 236 1HE LYS 32 HE2 LYS 32 6.713 4.482 -1.413 237 1HZ LYS 32 HZ1 LYS 32 6.184 6.217 -3.084 238 2HZ LYS 32 HZ2 LYS 32 6.965 4.856 -3.735 239 3HZ LYS 32 HZ3 LYS 32 7.831 6.296 -3.479 240 H LEU 33 HN LEU 33 11.562 0.049 -1.866 241 HA LEU 33 HA LEU 33 13.646 1.940 -2.719 242 2HB LEU 33 HB1 LEU 33 14.570 -0.471 -1.338 243 1HB LEU 33 HB2 LEU 33 13.275 0.349 -0.465 244 HG LEU 33 HG LEU 33 14.651 2.515 -0.961 245 1HD1 LEU 33 HD11 LEU 33 16.004 2.121 1.091 246 2HD1 LEU 33 HD12 LEU 33 15.605 0.406 1.001 247 3HD1 LEU 33 HD13 LEU 33 14.333 1.593 1.286 248 1HD2 LEU 33 HD21 LEU 33 16.237 1.480 -2.524 249 2HD2 LEU 33 HD22 LEU 33 16.751 0.345 -1.277 250 3HD2 LEU 33 HD23 LEU 33 17.095 2.065 -1.099 No H/Q in entry = 250 Start of MODEL 3 1 HA ALA 1 HA ALA 1 -3.532 13.468 1.872 2 1HB ALA 1 HB1 ALA 1 -3.741 15.384 0.457 3 2HB ALA 1 HB2 ALA 1 -4.135 13.996 -0.556 4 3HB ALA 1 HB3 ALA 1 -2.550 14.759 -0.683 5 H1 ALA 1 HT1 ALA 1 -0.821 14.150 0.865 6 H2 ALA 1 HT2 ALA 1 -1.184 13.473 2.380 7 H3 ALA 1 HT3 ALA 1 -1.696 15.049 2.005 8 H CYS 2 HN CYS 2 -4.146 11.395 1.397 9 HA CYS 2 HA CYS 2 -2.572 9.860 -0.618 10 2HB CYS 2 HB1 CYS 2 -1.553 9.185 1.435 11 1HB CYS 2 HB2 CYS 2 -2.666 7.889 0.999 12 H LYS 3 HN LYS 3 -3.709 7.866 -1.325 13 HA LYS 3 HA LYS 3 -6.531 8.368 -1.790 14 2HB LYS 3 HB1 LYS 3 -6.417 6.031 -2.834 15 1HB LYS 3 HB2 LYS 3 -4.701 6.046 -2.429 16 1HG LYS 3 HG1 LYS 3 -5.532 8.525 -3.730 17 2HG LYS 3 HG2 LYS 3 -5.867 7.115 -4.734 18 2HD LYS 3 HD1 LYS 3 -3.379 6.479 -3.876 19 1HD LYS 3 HD2 LYS 3 -3.261 8.239 -3.845 20 2HE LYS 3 HE1 LYS 3 -3.820 8.405 -6.168 21 1HE LYS 3 HE2 LYS 3 -4.323 6.716 -6.237 22 1HZ LYS 3 HZ1 LYS 3 -2.065 6.030 -5.850 23 2HZ LYS 3 HZ2 LYS 3 -1.557 7.643 -5.677 24 3HZ LYS 3 HZ3 LYS 3 -2.107 7.079 -7.182 25 H GLY 4 HN GLY 4 -8.020 6.256 -1.496 26 2HA GLY 4 HA1 GLY 4 -9.341 5.236 0.181 27 1HA GLY 4 HA2 GLY 4 -8.222 5.855 1.395 28 H VAL 5 HN VAL 5 -9.348 3.129 1.092 29 HA VAL 5 HA VAL 5 -6.792 1.652 1.275 30 HB VAL 5 HB VAL 5 -9.486 0.378 1.686 31 1HG1 VAL 5 HG11 VAL 5 -6.672 0.030 2.702 32 2HG1 VAL 5 HG12 VAL 5 -7.734 -1.163 1.953 33 3HG1 VAL 5 HG13 VAL 5 -8.035 -0.630 3.607 34 1HG2 VAL 5 HG21 VAL 5 -9.014 1.164 4.181 35 2HG2 VAL 5 HG22 VAL 5 -9.903 2.203 3.068 36 3HG2 VAL 5 HG23 VAL 5 -8.191 2.497 3.370 37 H PHE 6 HN PHE 6 -6.646 -0.517 0.216 38 HA PHE 6 HA PHE 6 -6.606 -1.829 -1.715 39 2HB PHE 6 HB1 PHE 6 -8.791 -2.093 -2.904 40 1HB PHE 6 HB2 PHE 6 -9.448 -0.781 -1.926 41 HD1 PHE 6 HD1 PHE 6 -10.203 -1.168 0.297 42 HD2 PHE 6 HD2 PHE 6 -7.891 -4.164 -1.737 43 HE1 PHE 6 HE1 PHE 6 -10.668 -2.772 2.129 44 HE2 PHE 6 HE2 PHE 6 -8.358 -5.768 0.095 45 HZ PHE 6 HZ PHE 6 -9.746 -5.071 2.029 46 H ASP 7 HN ASP 7 -5.519 0.808 -1.920 47 HA ASP 7 HA ASP 7 -6.333 1.711 -4.638 48 2HB ASP 7 HB1 ASP 7 -4.447 2.999 -2.634 49 1HB ASP 7 HB2 ASP 7 -6.138 3.440 -2.869 50 H ALA 8 HN ALA 8 -5.177 0.945 -6.327 51 HA ALA 8 HA ALA 8 -2.854 -0.689 -6.060 52 1HB ALA 8 HB1 ALA 8 -2.637 -0.411 -8.524 53 2HB ALA 8 HB2 ALA 8 -3.873 0.846 -8.469 54 3HB ALA 8 HB3 ALA 8 -4.284 -0.815 -8.040 55 H CYS 9 HN CYS 9 -0.824 -0.077 -5.552 56 HA CYS 9 HA CYS 9 0.204 2.531 -6.554 57 2HB CYS 9 HB1 CYS 9 -0.571 3.008 -4.287 58 1HB CYS 9 HB2 CYS 9 1.192 3.008 -4.314 59 H THR 10 HN THR 10 2.483 2.561 -6.832 60 HA THR 10 HA THR 10 3.713 -0.122 -7.011 61 HB THR 10 HB THR 10 4.769 2.593 -7.878 62 HG1 THR 10 HG1 THR 10 3.541 0.492 -9.345 63 1HG2 THR 10 HG21 THR 10 5.707 -0.231 -8.463 64 2HG2 THR 10 HG22 THR 10 6.574 0.989 -7.530 65 3HG2 THR 10 HG23 THR 10 6.324 1.216 -9.261 66 HA PRO 11 HA PRO 11 5.865 0.567 -3.189 67 2HB PRO 11 HB1 PRO 11 5.693 -1.706 -2.827 68 1HB PRO 11 HB2 PRO 11 7.399 -1.717 -3.308 69 1HG PRO 11 HG1 PRO 11 5.404 -3.129 -4.624 70 2HG PRO 11 HG2 PRO 11 6.912 -2.610 -5.394 71 1HD PRO 11 HD2 PRO 11 5.616 -1.329 -6.796 72 2HD PRO 11 HD1 PRO 11 4.170 -1.597 -5.799 73 H GLY 12 HN GLY 12 7.641 1.820 -2.836 74 2HA GLY 12 HA1 GLY 12 10.068 1.463 -4.506 75 1HA GLY 12 HA2 GLY 12 9.967 2.418 -3.025 76 H LYS 13 HN LYS 13 7.302 2.950 -5.103 77 HA LYS 13 HA LYS 13 8.603 5.274 -6.423 78 2HB LYS 13 HB1 LYS 13 6.012 3.822 -6.997 79 1HB LYS 13 HB2 LYS 13 7.487 3.758 -7.961 80 2HG LYS 13 HG1 LYS 13 6.802 6.503 -7.622 81 1HG LYS 13 HG2 LYS 13 5.339 5.649 -8.111 82 2HD LYS 13 HD1 LYS 13 6.274 4.939 -10.129 83 1HD LYS 13 HD2 LYS 13 7.927 5.095 -9.532 84 2HE LYS 13 HE1 LYS 13 7.436 7.627 -9.391 85 1HE LYS 13 HE2 LYS 13 6.028 7.283 -10.395 86 1HZ LYS 13 HZ1 LYS 13 8.811 6.527 -11.101 87 2HZ LYS 13 HZ2 LYS 13 8.020 7.915 -11.677 88 3HZ LYS 13 HZ3 LYS 13 7.436 6.371 -12.082 89 H ASN 14 HN ASN 14 5.407 4.520 -5.107 90 HA ASN 14 HA ASN 14 5.464 6.899 -3.374 91 2HB ASN 14 HB1 ASN 14 3.185 6.676 -5.338 92 1HB ASN 14 HB2 ASN 14 4.653 7.555 -5.761 93 1HD2 ASN 14 HD21 ASN 14 5.076 9.576 -4.646 94 2HD2 ASN 14 HD22 ASN 14 3.923 10.307 -3.637 95 H GLU 15 HN GLU 15 4.422 6.381 -1.508 96 HA GLU 15 HA GLU 15 2.700 3.954 -1.494 97 1HB GLU 15 HB1 GLU 15 4.603 4.069 0.113 98 2HB GLU 15 HB2 GLU 15 3.045 3.924 0.921 99 2HG GLU 15 HG1 GLU 15 3.259 6.632 0.783 100 1HG GLU 15 HG2 GLU 15 4.962 6.192 0.891 101 H CYS 16 HN CYS 16 0.740 4.030 -0.076 102 HA CYS 16 HA CYS 16 -0.811 6.473 -0.638 103 1HB CYS 16 HB1 CYS 16 -1.813 4.253 -1.051 104 2HB CYS 16 HB2 CYS 16 -2.732 5.131 0.170 105 H CYS 17 HN CYS 17 -2.421 5.634 1.970 106 HA CYS 17 HA CYS 17 -1.351 7.709 3.652 107 1HB CYS 17 HB1 CYS 17 -3.002 6.933 5.297 108 2HB CYS 17 HB2 CYS 17 -3.231 5.440 4.390 109 HA PRO 18 HA PRO 18 1.675 5.564 6.011 110 2HB PRO 18 HB1 PRO 18 2.047 7.483 7.215 111 1HB PRO 18 HB2 PRO 18 1.265 6.593 8.533 112 1HG PRO 18 HG1 PRO 18 0.324 8.994 7.535 113 2HG PRO 18 HG2 PRO 18 -0.716 7.786 8.309 114 1HD PRO 18 HD2 PRO 18 -1.822 7.670 6.294 115 2HD PRO 18 HD1 PRO 18 -0.524 8.540 5.449 116 H ASN 19 HN ASN 19 -1.669 5.254 7.009 117 HA ASN 19 HA ASN 19 -1.146 3.118 8.945 118 2HB ASN 19 HB1 ASN 19 -3.685 2.894 8.854 119 1HB ASN 19 HB2 ASN 19 -3.674 4.259 7.738 120 1HD2 ASN 19 HD21 ASN 19 -3.206 3.310 11.105 121 2HD2 ASN 19 HD22 ASN 19 -3.049 4.884 11.721 122 H ARG 20 HN ARG 20 -1.342 3.303 5.559 123 HA ARG 20 HA ARG 20 -1.853 0.359 5.384 124 2HB ARG 20 HB1 ARG 20 -2.555 1.028 2.942 125 1HB ARG 20 HB2 ARG 20 -2.784 2.630 3.643 126 1HG ARG 20 HG1 ARG 20 -3.963 0.223 5.010 127 2HG ARG 20 HG2 ARG 20 -4.788 0.926 3.619 128 1HD ARG 20 HD1 ARG 20 -3.969 3.046 5.377 129 2HD ARG 20 HD2 ARG 20 -4.831 1.831 6.319 130 HE ARG 20 HE ARG 20 -6.780 2.187 4.908 131 1HH1 ARG 20 HH11 ARG 20 -4.894 3.125 2.572 132 2HH1 ARG 20 HH12 ARG 20 -5.430 4.764 2.413 133 1HH2 ARG 20 HH21 ARG 20 -7.131 4.781 5.442 134 2HH2 ARG 20 HH22 ARG 20 -6.700 5.704 4.042 135 H VAL 21 HN VAL 21 -0.626 -0.751 3.711 136 HA VAL 21 HA VAL 21 1.815 0.740 2.820 137 HB VAL 21 HB VAL 21 3.027 -1.466 3.037 138 1HG1 VAL 21 HG11 VAL 21 1.810 -0.360 5.586 139 2HG1 VAL 21 HG12 VAL 21 3.196 0.329 4.742 140 3HG1 VAL 21 HG13 VAL 21 3.313 -1.275 5.467 141 1HG2 VAL 21 HG21 VAL 21 0.636 -2.260 4.724 142 2HG2 VAL 21 HG22 VAL 21 2.035 -3.251 4.309 143 3HG2 VAL 21 HG23 VAL 21 0.864 -2.813 3.065 144 H CYS 22 HN CYS 22 2.725 0.035 0.790 145 HA CYS 22 HA CYS 22 0.713 -0.783 -1.153 146 2HB CYS 22 HB1 CYS 22 2.775 -0.763 -2.716 147 1HB CYS 22 HB2 CYS 22 3.659 -0.135 -1.324 148 H SER 23 HN SER 23 0.146 -2.874 -1.415 149 HA SER 23 HA SER 23 1.974 -5.033 -0.572 150 2HB SER 23 HB1 SER 23 -0.799 -5.280 -1.763 151 1HB SER 23 HB2 SER 23 -0.505 -5.017 -0.047 152 HG SER 23 HG SER 23 0.292 -6.976 0.169 153 H ASP 24 HN ASP 24 2.917 -6.516 -1.967 154 HA ASP 24 HA ASP 24 3.011 -5.753 -4.825 155 2HB ASP 24 HB1 ASP 24 4.730 -7.746 -4.786 156 1HB ASP 24 HB2 ASP 24 4.647 -7.537 -3.037 157 H LYS 25 HN LYS 25 2.245 -8.628 -2.831 158 HA LYS 25 HA LYS 25 1.409 -10.273 -5.048 159 2HB LYS 25 HB1 LYS 25 0.267 -10.600 -2.284 160 1HB LYS 25 HB2 LYS 25 1.979 -10.919 -2.559 161 1HG LYS 25 HG1 LYS 25 0.346 -12.131 -4.637 162 2HG LYS 25 HG2 LYS 25 -0.159 -12.680 -3.039 163 1HD LYS 25 HD1 LYS 25 2.747 -12.587 -3.278 164 2HD LYS 25 HD2 LYS 25 2.027 -13.629 -4.505 165 2HE LYS 25 HE1 LYS 25 2.312 -15.079 -2.671 166 1HE LYS 25 HE2 LYS 25 0.623 -14.592 -2.533 167 1HZ LYS 25 HZ1 LYS 25 1.247 -12.924 -0.925 168 2HZ LYS 25 HZ2 LYS 25 2.890 -13.325 -1.089 169 3HZ LYS 25 HZ3 LYS 25 1.803 -14.443 -0.415 170 H HIS 26 HN HIS 26 -0.261 -7.955 -2.955 171 HA HIS 26 HA HIS 26 -2.879 -8.567 -4.183 172 2HB HIS 26 HB1 HIS 26 -3.649 -6.684 -2.670 173 1HB HIS 26 HB2 HIS 26 -1.998 -6.587 -2.065 174 HD1 HIS 26 HD1 HIS 26 -4.763 -9.190 -2.451 175 HD2 HIS 26 HD2 HIS 26 -1.480 -8.376 -0.014 176 HE1 HIS 26 HE1 HIS 26 -4.784 -10.933 -0.613 177 H LYS 27 HN LYS 27 -0.283 -6.221 -4.434 178 HA LYS 27 HA LYS 27 0.137 -4.596 -6.055 179 2HB LYS 27 HB1 LYS 27 -2.399 -4.968 -7.530 180 1HB LYS 27 HB2 LYS 27 -1.384 -6.405 -7.407 181 2HG LYS 27 HG1 LYS 27 0.526 -5.156 -8.310 182 1HG LYS 27 HG2 LYS 27 -0.445 -3.685 -8.373 183 1HD LYS 27 HD1 LYS 27 -1.315 -6.197 -9.805 184 2HD LYS 27 HD2 LYS 27 -0.196 -5.060 -10.556 185 2HE LYS 27 HE1 LYS 27 -1.954 -3.252 -9.936 186 1HE LYS 27 HE2 LYS 27 -3.060 -4.608 -9.716 187 1HZ LYS 27 HZ1 LYS 27 -2.509 -5.330 -11.985 188 2HZ LYS 27 HZ2 LYS 27 -1.548 -3.943 -12.185 189 3HZ LYS 27 HZ3 LYS 27 -3.223 -3.792 -11.952 190 H TRP 28 HN TRP 28 -1.840 -4.253 -3.647 191 HA TRP 28 HA TRP 28 -2.531 -1.484 -4.377 192 1HB TRP 28 HB1 TRP 28 -4.554 -2.737 -5.026 193 2HB TRP 28 HB2 TRP 28 -4.872 -1.665 -3.669 194 HD1 TRP 28 HD1 TRP 28 -4.375 -3.084 -1.154 195 HE1 TRP 28 HE1 TRP 28 -5.436 -5.341 -0.512 196 HE3 TRP 28 HE3 TRP 28 -5.617 -4.827 -5.792 197 HZ2 TRP 28 HZ2 TRP 28 -6.655 -7.587 -1.792 198 HZ3 TRP 28 HZ3 TRP 28 -6.730 -7.026 -6.049 199 HH2 TRP 28 HH2 TRP 28 -7.250 -8.407 -4.056 200 H CYS 29 HN CYS 29 -3.434 -0.308 -2.377 201 HA CYS 29 HA CYS 29 -1.662 -0.884 -0.127 202 2HB CYS 29 HB1 CYS 29 -3.391 1.091 0.738 203 1HB CYS 29 HB2 CYS 29 -3.371 1.338 -1.008 204 H LYS 30 HN LYS 30 -2.188 -2.083 1.633 205 HA LYS 30 HA LYS 30 -5.084 -2.525 2.226 206 2HB LYS 30 HB1 LYS 30 -4.554 -4.605 1.309 207 1HB LYS 30 HB2 LYS 30 -4.241 -4.881 3.019 208 1HG LYS 30 HG1 LYS 30 -2.071 -3.998 1.100 209 2HG LYS 30 HG2 LYS 30 -2.436 -5.695 1.398 210 2HD LYS 30 HD1 LYS 30 -2.208 -5.022 3.924 211 1HD LYS 30 HD2 LYS 30 -1.317 -3.639 3.288 212 2HE LYS 30 HE1 LYS 30 0.462 -5.066 3.398 213 1HE LYS 30 HE2 LYS 30 -0.177 -5.665 1.868 214 1HZ LYS 30 HZ1 LYS 30 -1.473 -7.303 3.120 215 2HZ LYS 30 HZ2 LYS 30 -0.772 -6.753 4.567 216 3HZ LYS 30 HZ3 LYS 30 0.194 -7.486 3.378 217 H TRP 31 HN TRP 31 -5.327 -3.482 4.518 218 HA TRP 31 HA TRP 31 -4.082 -1.684 6.400 219 2HB TRP 31 HB1 TRP 31 -5.247 -3.253 8.090 220 1HB TRP 31 HB2 TRP 31 -5.899 -4.080 6.675 221 HD1 TRP 31 HD1 TRP 31 -8.077 -3.134 5.767 222 HE1 TRP 31 HE1 TRP 31 -9.347 -0.899 5.971 223 HE3 TRP 31 HE3 TRP 31 -4.690 -0.450 8.476 224 HZ2 TRP 31 HZ2 TRP 31 -8.972 1.689 7.132 225 HZ3 TRP 31 HZ3 TRP 31 -5.170 1.898 9.120 226 HH2 TRP 31 HH2 TRP 31 -7.304 2.969 8.451 227 H LYS 32 HN LYS 32 -2.634 -2.231 8.116 228 HA LYS 32 HA LYS 32 -0.697 -4.321 7.382 229 1HB LYS 32 HB1 LYS 32 0.779 -3.306 8.937 230 2HB LYS 32 HB2 LYS 32 -0.547 -2.543 9.815 231 2HG LYS 32 HG1 LYS 32 -0.975 -1.025 7.993 232 1HG LYS 32 HG2 LYS 32 0.125 -1.902 6.930 233 2HD LYS 32 HD1 LYS 32 1.541 -0.202 7.606 234 1HD LYS 32 HD2 LYS 32 1.854 -1.358 8.901 235 2HE LYS 32 HE1 LYS 32 0.296 -0.231 10.369 236 1HE LYS 32 HE2 LYS 32 -0.259 0.811 9.061 237 1HZ LYS 32 HZ1 LYS 32 2.500 0.757 10.158 238 2HZ LYS 32 HZ2 LYS 32 1.327 1.936 10.505 239 3HZ LYS 32 HZ3 LYS 32 1.939 1.781 8.928 240 H LEU 33 HN LEU 33 -3.260 -3.883 9.657 241 HA LEU 33 HA LEU 33 -2.623 -6.553 10.831 242 2HB LEU 33 HB1 LEU 33 -3.997 -4.650 12.631 243 1HB LEU 33 HB2 LEU 33 -2.327 -4.230 12.251 244 HG LEU 33 HG LEU 33 -1.852 -6.756 12.770 245 1HD1 LEU 33 HD11 LEU 33 -1.058 -4.814 14.104 246 2HD1 LEU 33 HD12 LEU 33 -1.473 -6.191 15.124 247 3HD1 LEU 33 HD13 LEU 33 -2.581 -4.825 14.994 248 1HD2 LEU 33 HD21 LEU 33 -3.842 -6.817 14.842 249 2HD2 LEU 33 HD22 LEU 33 -3.590 -7.972 13.533 250 3HD2 LEU 33 HD23 LEU 33 -4.652 -6.585 13.292 No H/Q in entry = 250 Start of MODEL 4 1 HA ALA 1 HA ALA 1 3.069 12.641 -4.552 2 1HB ALA 1 HB1 ALA 1 5.432 12.883 -3.818 3 2HB ALA 1 HB2 ALA 1 4.959 14.238 -2.794 4 3HB ALA 1 HB3 ALA 1 4.815 14.365 -4.547 5 H1 ALA 1 HT1 ALA 1 2.412 14.936 -4.199 6 H2 ALA 1 HT2 ALA 1 2.572 14.749 -2.518 7 H3 ALA 1 HT3 ALA 1 1.377 13.885 -3.362 8 H CYS 2 HN CYS 2 2.884 10.625 -3.713 9 HA CYS 2 HA CYS 2 2.913 10.324 -0.733 10 1HB CYS 2 HB1 CYS 2 0.719 9.824 -1.796 11 2HB CYS 2 HB2 CYS 2 1.421 8.400 -1.031 12 H LYS 3 HN LYS 3 3.186 7.589 -0.526 13 HA LYS 3 HA LYS 3 6.012 7.221 -1.078 14 2HB LYS 3 HB1 LYS 3 5.570 4.891 -0.184 15 1HB LYS 3 HB2 LYS 3 3.878 5.359 -0.009 16 2HG LYS 3 HG1 LYS 3 4.309 6.649 1.818 17 1HG LYS 3 HG2 LYS 3 5.790 7.302 1.119 18 2HD LYS 3 HD1 LYS 3 6.429 4.641 1.571 19 1HD LYS 3 HD2 LYS 3 5.429 5.051 2.964 20 2HE LYS 3 HE1 LYS 3 7.538 5.720 3.705 21 1HE LYS 3 HE2 LYS 3 6.925 7.224 3.019 22 1HZ LYS 3 HZ1 LYS 3 9.161 6.767 2.249 23 2HZ LYS 3 HZ2 LYS 3 8.068 6.701 0.950 24 3HZ LYS 3 HZ3 LYS 3 8.674 5.266 1.629 25 H GLY 4 HN GLY 4 6.647 4.950 -2.015 26 2HA GLY 4 HA1 GLY 4 6.989 3.937 -4.136 27 1HA GLY 4 HA2 GLY 4 5.632 4.868 -4.773 28 H VAL 5 HN VAL 5 5.117 2.672 -5.711 29 HA VAL 5 HA VAL 5 2.988 1.415 -4.217 30 HB VAL 5 HB VAL 5 4.272 0.073 -6.584 31 1HG1 VAL 5 HG11 VAL 5 2.420 -1.139 -5.862 32 2HG1 VAL 5 HG12 VAL 5 1.686 -0.077 -7.062 33 3HG1 VAL 5 HG13 VAL 5 1.548 0.305 -5.347 34 1HG2 VAL 5 HG21 VAL 5 2.991 2.764 -6.519 35 2HG2 VAL 5 HG22 VAL 5 2.481 1.681 -7.812 36 3HG2 VAL 5 HG23 VAL 5 4.181 2.115 -7.646 37 H PHE 6 HN PHE 6 2.934 -0.940 -3.690 38 HA PHE 6 HA PHE 6 3.789 -2.809 -2.565 39 2HB PHE 6 HB1 PHE 6 6.552 -2.429 -3.579 40 1HB PHE 6 HB2 PHE 6 5.305 -2.564 -4.817 41 HD1 PHE 6 HD1 PHE 6 3.934 -4.598 -5.017 42 HD2 PHE 6 HD2 PHE 6 7.074 -4.292 -2.101 43 HE1 PHE 6 HE1 PHE 6 3.862 -7.053 -4.680 44 HE2 PHE 6 HE2 PHE 6 7.000 -6.747 -1.764 45 HZ PHE 6 HZ PHE 6 5.395 -8.127 -3.054 46 H ASP 7 HN ASP 7 3.883 -0.194 -1.274 47 HA ASP 7 HA ASP 7 6.416 -0.263 0.279 48 2HB ASP 7 HB1 ASP 7 4.114 1.719 0.288 49 1HB ASP 7 HB2 ASP 7 5.664 1.932 -0.526 50 H ALA 8 HN ALA 8 6.440 -1.453 2.119 51 HA ALA 8 HA ALA 8 4.224 -2.786 3.248 52 1HB ALA 8 HB1 ALA 8 5.652 -3.107 5.250 53 2HB ALA 8 HB2 ALA 8 6.781 -1.908 4.619 54 3HB ALA 8 HB3 ALA 8 6.533 -3.426 3.756 55 H CYS 9 HN CYS 9 2.553 -2.098 4.479 56 HA CYS 9 HA CYS 9 2.863 0.313 6.185 57 2HB CYS 9 HB1 CYS 9 1.982 1.268 4.155 58 1HB CYS 9 HB2 CYS 9 0.648 1.172 5.303 59 H THR 10 HN THR 10 0.809 0.592 7.562 60 HA THR 10 HA THR 10 -0.170 -2.113 8.378 61 HB THR 10 HB THR 10 -0.005 0.452 9.999 62 HG1 THR 10 HG1 THR 10 2.000 -0.183 10.066 63 1HG2 THR 10 HG21 THR 10 -1.822 -0.987 10.763 64 2HG2 THR 10 HG22 THR 10 -0.487 -1.070 11.913 65 3HG2 THR 10 HG23 THR 10 -0.746 -2.385 10.767 66 HA PRO 11 HA PRO 11 -4.137 -0.692 6.982 67 2HB PRO 11 HB1 PRO 11 -4.610 -2.887 6.454 68 1HB PRO 11 HB2 PRO 11 -5.576 -2.837 7.939 69 1HG PRO 11 HG1 PRO 11 -3.478 -4.597 7.528 70 2HG PRO 11 HG2 PRO 11 -4.002 -4.060 9.133 71 1HD PRO 11 HD2 PRO 11 -1.900 -3.154 9.363 72 2HD PRO 11 HD1 PRO 11 -1.552 -3.352 7.632 73 H GLY 12 HN GLY 12 -5.666 0.610 7.936 74 2HA GLY 12 HA1 GLY 12 -6.602 0.218 10.666 75 1HA GLY 12 HA2 GLY 12 -7.009 1.577 9.616 76 H LYS 13 HN LYS 13 -3.916 1.829 9.202 77 HA LYS 13 HA LYS 13 -3.433 3.413 11.675 78 2HB LYS 13 HB1 LYS 13 -1.516 1.578 10.231 79 1HB LYS 13 HB2 LYS 13 -2.091 1.420 11.890 80 2HG LYS 13 HG1 LYS 13 -1.044 3.987 11.825 81 1HG LYS 13 HG2 LYS 13 0.074 3.072 10.814 82 2HD LYS 13 HD1 LYS 13 -0.169 1.316 12.824 83 1HD LYS 13 HD2 LYS 13 -0.535 2.788 13.724 84 2HE LYS 13 HE1 LYS 13 1.794 2.675 13.920 85 1HE LYS 13 HE2 LYS 13 1.605 3.724 12.515 86 1HZ LYS 13 HZ1 LYS 13 2.059 0.789 12.431 87 2HZ LYS 13 HZ2 LYS 13 3.225 1.980 12.106 88 3HZ LYS 13 HZ3 LYS 13 1.882 1.802 11.081 89 H ASN 14 HN ASN 14 -1.976 2.827 8.498 90 HA ASN 14 HA ASN 14 -2.275 5.678 7.789 91 2HB ASN 14 HB1 ASN 14 0.476 4.486 7.538 92 1HB ASN 14 HB2 ASN 14 -0.029 5.206 9.067 93 1HD2 ASN 14 HD21 ASN 14 -0.471 7.539 9.088 94 2HD2 ASN 14 HD22 ASN 14 0.046 8.542 7.820 95 H GLU 15 HN GLU 15 -2.500 5.949 5.591 96 HA GLU 15 HA GLU 15 -2.194 3.505 3.892 97 2HB GLU 15 HB1 GLU 15 -3.836 4.584 2.380 98 1HB GLU 15 HB2 GLU 15 -3.913 5.973 3.463 99 2HG GLU 15 HG1 GLU 15 -5.798 4.482 3.918 100 1HG GLU 15 HG2 GLU 15 -4.692 4.461 5.291 101 H CYS 16 HN CYS 16 -1.724 4.147 1.483 102 HA CYS 16 HA CYS 16 0.605 6.000 1.527 103 1HB CYS 16 HB1 CYS 16 1.260 4.881 -0.581 104 2HB CYS 16 HB2 CYS 16 -0.221 3.925 -0.531 105 H CYS 17 HN CYS 17 -0.998 5.292 -1.505 106 HA CYS 17 HA CYS 17 -1.661 8.180 -1.782 107 2HB CYS 17 HB1 CYS 17 -2.087 6.770 -4.218 108 1HB CYS 17 HB2 CYS 17 -0.583 6.160 -3.531 109 HA PRO 18 HA PRO 18 -6.006 7.451 -1.911 110 2HB PRO 18 HB1 PRO 18 -6.347 9.648 -2.501 111 1HB PRO 18 HB2 PRO 18 -6.825 8.963 -4.063 112 1HG PRO 18 HG1 PRO 18 -4.750 10.766 -3.744 113 2HG PRO 18 HG2 PRO 18 -4.829 9.596 -5.072 114 1HD PRO 18 HD2 PRO 18 -2.879 8.720 -4.224 115 2HD PRO 18 HD1 PRO 18 -3.050 9.625 -2.704 116 H ASN 19 HN ASN 19 -4.248 6.852 -4.916 117 HA ASN 19 HA ASN 19 -6.423 5.159 -5.995 118 2HB ASN 19 HB1 ASN 19 -4.785 4.833 -7.898 119 1HB ASN 19 HB2 ASN 19 -3.695 5.941 -7.062 120 1HD2 ASN 19 HD21 ASN 19 -4.309 8.217 -6.963 121 2HD2 ASN 19 HD22 ASN 19 -5.570 8.840 -7.913 122 H ARG 20 HN ARG 20 -4.204 4.701 -3.636 123 HA ARG 20 HA ARG 20 -3.812 1.819 -4.335 124 2HB ARG 20 HB1 ARG 20 -1.732 2.136 -2.745 125 1HB ARG 20 HB2 ARG 20 -1.887 3.832 -3.203 126 2HG ARG 20 HG1 ARG 20 -1.785 3.177 -5.592 127 1HG ARG 20 HG2 ARG 20 -1.596 1.490 -5.113 128 2HD ARG 20 HD1 ARG 20 0.592 1.776 -4.546 129 1HD ARG 20 HD2 ARG 20 0.292 3.351 -3.811 130 HE ARG 20 HE ARG 20 0.721 2.900 -6.731 131 1HH1 ARG 20 HH11 ARG 20 -0.765 5.339 -6.536 132 2HH1 ARG 20 HH12 ARG 20 0.420 6.551 -6.182 133 1HH2 ARG 20 HH21 ARG 20 2.828 4.272 -5.140 134 2HH2 ARG 20 HH22 ARG 20 2.459 5.946 -5.389 135 H VAL 21 HN VAL 21 -3.643 0.418 -2.375 136 HA VAL 21 HA VAL 21 -4.866 1.611 0.071 137 HB VAL 21 HB VAL 21 -6.258 -0.528 0.252 138 1HG1 VAL 21 HG11 VAL 21 -7.394 1.510 -0.234 139 2HG1 VAL 21 HG12 VAL 21 -7.961 0.356 -1.440 140 3HG1 VAL 21 HG13 VAL 21 -6.752 1.563 -1.875 141 1HG2 VAL 21 HG21 VAL 21 -4.990 -1.757 -1.529 142 2HG2 VAL 21 HG22 VAL 21 -5.664 -0.649 -2.723 143 3HG2 VAL 21 HG23 VAL 21 -6.729 -1.725 -1.819 144 H CYS 22 HN CYS 22 -4.403 0.438 2.014 145 HA CYS 22 HA CYS 22 -1.863 -1.055 1.891 146 2HB CYS 22 HB1 CYS 22 -3.497 -0.460 4.368 147 1HB CYS 22 HB2 CYS 22 -2.433 0.741 3.638 148 H SER 23 HN SER 23 -1.959 -3.209 1.529 149 HA SER 23 HA SER 23 -4.409 -4.728 2.101 150 2HB SER 23 HB1 SER 23 -1.928 -6.139 1.285 151 1HB SER 23 HB2 SER 23 -2.555 -4.956 0.142 152 HG SER 23 HG SER 23 -3.601 -7.377 0.916 153 H ASP 24 HN ASP 24 -4.663 -6.230 3.733 154 HA ASP 24 HA ASP 24 -2.701 -6.157 5.933 155 1HB ASP 24 HB1 ASP 24 -5.130 -6.010 6.426 156 2HB ASP 24 HB2 ASP 24 -4.394 -7.411 7.201 157 H LYS 25 HN LYS 25 -3.972 -8.479 3.564 158 HA LYS 25 HA LYS 25 -2.511 -10.752 4.639 159 2HB LYS 25 HB1 LYS 25 -3.018 -11.606 2.190 160 1HB LYS 25 HB2 LYS 25 -4.066 -10.188 2.132 161 2HG LYS 25 HG1 LYS 25 -5.196 -10.959 4.201 162 1HG LYS 25 HG2 LYS 25 -4.164 -12.389 4.221 163 1HD LYS 25 HD1 LYS 25 -5.751 -11.758 1.749 164 2HD LYS 25 HD2 LYS 25 -6.561 -12.508 3.124 165 2HE LYS 25 HE1 LYS 25 -4.745 -14.269 3.115 166 1HE LYS 25 HE2 LYS 25 -4.164 -13.572 1.603 167 1HZ LYS 25 HZ1 LYS 25 -6.303 -13.995 0.600 168 2HZ LYS 25 HZ2 LYS 25 -6.909 -14.611 2.064 169 3HZ LYS 25 HZ3 LYS 25 -5.676 -15.436 1.237 170 H HIS 26 HN HIS 26 -1.875 -8.253 2.223 171 HA HIS 26 HA HIS 26 0.656 -9.537 1.396 172 2HB HIS 26 HB1 HIS 26 0.854 -7.528 -0.082 173 1HB HIS 26 HB2 HIS 26 -0.655 -6.925 0.584 174 HD1 HIS 26 HD1 HIS 26 -2.356 -7.286 -1.220 175 HD2 HIS 26 HD2 HIS 26 0.101 -10.617 -0.725 176 HE1 HIS 26 HE1 HIS 26 -3.274 -9.086 -2.746 177 H LYS 27 HN LYS 27 -0.491 -6.940 3.470 178 HA LYS 27 HA LYS 27 0.612 -5.772 5.163 179 2HB LYS 27 HB1 LYS 27 3.292 -6.902 4.585 180 1HB LYS 27 HB2 LYS 27 2.047 -8.067 5.035 181 2HG LYS 27 HG1 LYS 27 2.156 -7.422 7.189 182 1HG LYS 27 HG2 LYS 27 1.882 -5.738 6.740 183 2HD LYS 27 HD1 LYS 27 4.339 -5.627 6.104 184 1HD LYS 27 HD2 LYS 27 4.527 -7.214 6.851 185 2HE LYS 27 HE1 LYS 27 3.535 -6.234 8.961 186 1HE LYS 27 HE2 LYS 27 3.621 -4.650 8.190 187 1HZ LYS 27 HZ1 LYS 27 6.014 -4.998 7.889 188 2HZ LYS 27 HZ2 LYS 27 5.902 -6.476 8.719 189 3HZ LYS 27 HZ3 LYS 27 5.570 -5.018 9.525 190 H TRP 28 HN TRP 28 0.720 -5.054 2.128 191 HA TRP 28 HA TRP 28 2.469 -2.719 2.548 192 2HB TRP 28 HB1 TRP 28 4.055 -4.264 1.553 193 1HB TRP 28 HB2 TRP 28 3.643 -3.032 0.368 194 HD1 TRP 28 HD1 TRP 28 1.293 -3.915 -1.166 195 HE1 TRP 28 HE1 TRP 28 1.140 -6.157 -2.424 196 HE3 TRP 28 HE3 TRP 28 4.884 -6.568 1.315 197 HZ2 TRP 28 HZ2 TRP 28 2.374 -8.735 -2.387 198 HZ3 TRP 28 HZ3 TRP 28 5.373 -8.913 0.681 199 HH2 TRP 28 HH2 TRP 28 4.124 -9.999 -1.164 200 H CYS 29 HN CYS 29 2.243 -1.158 0.638 201 HA CYS 29 HA CYS 29 -0.597 -0.838 0.050 202 2HB CYS 29 HB1 CYS 29 0.424 1.150 -1.351 203 1HB CYS 29 HB2 CYS 29 1.895 0.760 -0.460 204 H LYS 30 HN LYS 30 -1.604 -1.083 -1.951 205 HA LYS 30 HA LYS 30 0.037 -1.902 -4.284 206 2HB LYS 30 HB1 LYS 30 -0.424 -4.059 -3.443 207 1HB LYS 30 HB2 LYS 30 -1.674 -3.806 -4.659 208 1HG LYS 30 HG1 LYS 30 -2.428 -2.835 -1.983 209 2HG LYS 30 HG2 LYS 30 -2.134 -4.570 -2.045 210 2HD LYS 30 HD1 LYS 30 -3.596 -4.190 -4.332 211 1HD LYS 30 HD2 LYS 30 -4.302 -2.977 -3.265 212 1HE LYS 30 HE1 LYS 30 -3.832 -5.777 -2.261 213 2HE LYS 30 HE2 LYS 30 -5.258 -5.419 -3.234 214 1HZ LYS 30 HZ1 LYS 30 -4.537 -3.796 -0.867 215 2HZ LYS 30 HZ2 LYS 30 -5.486 -5.199 -0.737 216 3HZ LYS 30 HZ3 LYS 30 -6.030 -3.887 -1.668 217 H TRP 31 HN TRP 31 -1.349 -2.050 -6.292 218 HA TRP 31 HA TRP 31 -2.990 0.312 -6.546 219 2HB TRP 31 HB1 TRP 31 -3.491 -0.754 -8.853 220 1HB TRP 31 HB2 TRP 31 -2.334 -1.997 -8.379 221 HD1 TRP 31 HD1 TRP 31 0.077 -1.501 -8.982 222 HE1 TRP 31 HE1 TRP 31 1.451 0.611 -9.525 223 HE3 TRP 31 HE3 TRP 31 -3.469 2.083 -8.189 224 HZ2 TRP 31 HZ2 TRP 31 1.093 3.449 -9.613 225 HZ3 TRP 31 HZ3 TRP 31 -2.928 4.480 -8.510 226 HH2 TRP 31 HH2 TRP 31 -0.654 5.167 -9.220 227 H LYS 32 HN LYS 32 -5.255 0.394 -7.062 228 HA LYS 32 HA LYS 32 -6.818 -1.757 -5.767 229 1HB LYS 32 HB1 LYS 32 -8.649 -0.192 -5.728 230 2HB LYS 32 HB2 LYS 32 -7.824 0.874 -6.866 231 2HG LYS 32 HG1 LYS 32 -6.090 1.354 -5.221 232 1HG LYS 32 HG2 LYS 32 -6.782 0.182 -4.101 233 2HD LYS 32 HD1 LYS 32 -7.521 2.383 -3.416 234 1HD LYS 32 HD2 LYS 32 -8.907 1.548 -4.117 235 1HE LYS 32 HE1 LYS 32 -7.370 2.973 -6.146 236 2HE LYS 32 HE2 LYS 32 -7.926 4.058 -4.872 237 1HZ LYS 32 HZ1 LYS 32 -9.645 2.147 -6.361 238 2HZ LYS 32 HZ2 LYS 32 -9.558 3.818 -6.653 239 3HZ LYS 32 HZ3 LYS 32 -10.165 3.243 -5.174 240 H LEU 33 HN LEU 33 -6.446 -0.174 -8.871 241 HA LEU 33 HA LEU 33 -8.230 -2.240 -10.099 242 2HB LEU 33 HB1 LEU 33 -8.185 -0.436 -12.040 243 1HB LEU 33 HB2 LEU 33 -7.752 0.656 -10.724 244 HG LEU 33 HG LEU 33 -10.047 -1.217 -10.296 245 1HD1 LEU 33 HD11 LEU 33 -9.347 1.621 -9.496 246 2HD1 LEU 33 HD12 LEU 33 -9.397 0.197 -8.457 247 3HD1 LEU 33 HD13 LEU 33 -10.892 0.861 -9.114 248 1HD2 LEU 33 HD21 LEU 33 -10.432 -0.277 -12.562 249 2HD2 LEU 33 HD22 LEU 33 -10.231 1.349 -11.910 250 3HD2 LEU 33 HD23 LEU 33 -11.592 0.354 -11.394 No H/Q in entry = 250 Start of MODEL 5 1 HA ALA 1 HA ALA 1 -2.408 12.378 4.312 2 1HB ALA 1 HB1 ALA 1 -4.174 13.582 2.991 3 2HB ALA 1 HB2 ALA 1 -2.889 14.363 2.069 4 3HB ALA 1 HB3 ALA 1 -3.042 14.666 3.799 5 H1 ALA 1 HT1 ALA 1 -0.616 13.936 3.891 6 H2 ALA 1 HT2 ALA 1 -0.618 13.534 2.240 7 H3 ALA 1 HT3 ALA 1 -0.172 12.375 3.400 8 H CYS 2 HN CYS 2 -2.681 10.274 3.761 9 HA CYS 2 HA CYS 2 -3.455 9.609 0.983 10 1HB CYS 2 HB1 CYS 2 -0.940 9.360 1.168 11 2HB CYS 2 HB2 CYS 2 -1.789 7.879 0.725 12 H LYS 3 HN LYS 3 -3.440 6.818 1.249 13 HA LYS 3 HA LYS 3 -5.761 6.388 2.948 14 2HB LYS 3 HB1 LYS 3 -5.404 3.963 2.275 15 1HB LYS 3 HB2 LYS 3 -4.008 4.509 1.346 16 2HG LYS 3 HG1 LYS 3 -5.310 5.504 -0.259 17 1HG LYS 3 HG2 LYS 3 -6.524 6.026 0.908 18 2HD LYS 3 HD1 LYS 3 -7.703 4.381 -0.241 19 1HD LYS 3 HD2 LYS 3 -7.019 3.432 1.079 20 2HE LYS 3 HE1 LYS 3 -5.665 2.257 -0.320 21 1HE LYS 3 HE2 LYS 3 -5.237 3.690 -1.255 22 1HZ LYS 3 HZ1 LYS 3 -7.070 3.469 -2.607 23 2HZ LYS 3 HZ2 LYS 3 -7.938 2.536 -1.484 24 3HZ LYS 3 HZ3 LYS 3 -6.648 1.847 -2.346 25 H GLY 4 HN GLY 4 -5.673 4.289 4.384 26 2HA GLY 4 HA1 GLY 4 -4.958 3.514 6.494 27 1HA GLY 4 HA2 GLY 4 -3.739 4.791 6.503 28 H VAL 5 HN VAL 5 -2.363 2.979 7.353 29 HA VAL 5 HA VAL 5 -0.699 1.890 5.250 30 HB VAL 5 HB VAL 5 -0.614 0.904 8.098 31 1HG1 VAL 5 HG11 VAL 5 1.113 0.903 5.726 32 2HG1 VAL 5 HG12 VAL 5 1.156 -0.138 7.148 33 3HG1 VAL 5 HG13 VAL 5 1.940 1.440 7.187 34 1HG2 VAL 5 HG21 VAL 5 0.336 3.580 7.030 35 2HG2 VAL 5 HG22 VAL 5 0.939 2.873 8.527 36 3HG2 VAL 5 HG23 VAL 5 -0.765 3.298 8.378 37 H PHE 6 HN PHE 6 -0.228 -0.463 5.041 38 HA PHE 6 HA PHE 6 -0.963 -2.611 4.476 39 2HB PHE 6 HB1 PHE 6 -2.827 -3.268 6.443 40 1HB PHE 6 HB2 PHE 6 -1.790 -2.079 7.231 41 HD1 PHE 6 HD1 PHE 6 0.842 -2.422 6.532 42 HD2 PHE 6 HD2 PHE 6 -2.169 -5.484 6.673 43 HE1 PHE 6 HE1 PHE 6 2.606 -4.144 6.800 44 HE2 PHE 6 HE2 PHE 6 -0.404 -7.204 6.941 45 HZ PHE 6 HZ PHE 6 1.982 -6.535 7.004 46 H ASP 7 HN ASP 7 -2.409 -0.368 3.305 47 HA ASP 7 HA ASP 7 -5.218 -1.347 3.184 48 2HB ASP 7 HB1 ASP 7 -5.135 0.841 1.541 49 1HB ASP 7 HB2 ASP 7 -3.863 1.238 2.694 50 H ALA 8 HN ALA 8 -5.775 -2.680 1.544 51 HA ALA 8 HA ALA 8 -4.058 -3.668 -0.430 52 1HB ALA 8 HB1 ALA 8 -7.070 -3.372 -0.546 53 2HB ALA 8 HB2 ALA 8 -6.172 -4.758 0.073 54 3HB ALA 8 HB3 ALA 8 -6.121 -4.371 -1.647 55 H CYS 9 HN CYS 9 -3.256 -2.875 -2.302 56 HA CYS 9 HA CYS 9 -4.660 -0.634 -3.668 57 2HB CYS 9 HB1 CYS 9 -3.014 0.510 -2.331 58 1HB CYS 9 HB2 CYS 9 -2.408 0.481 -3.986 59 H THR 10 HN THR 10 -3.981 -0.387 -5.918 60 HA THR 10 HA THR 10 -3.094 -2.970 -7.086 61 HB THR 10 HB THR 10 -4.289 -0.516 -8.420 62 HG1 THR 10 HG1 THR 10 -5.933 -1.361 -7.348 63 1HG2 THR 10 HG21 THR 10 -4.641 -2.053 -10.330 64 2HG2 THR 10 HG22 THR 10 -3.786 -3.322 -9.454 65 3HG2 THR 10 HG23 THR 10 -2.928 -1.866 -9.956 66 HA PRO 11 HA PRO 11 0.882 -1.172 -7.863 67 2HB PRO 11 HB1 PRO 11 1.751 -3.302 -7.712 68 1HB PRO 11 HB2 PRO 11 1.822 -3.196 -9.479 69 1HG PRO 11 HG1 PRO 11 0.386 -5.127 -8.107 70 2HG PRO 11 HG2 PRO 11 -0.020 -4.585 -9.744 71 1HD PRO 11 HD2 PRO 11 -2.022 -3.873 -8.860 72 2HD PRO 11 HD1 PRO 11 -1.431 -4.064 -7.195 73 H GLY 12 HN GLY 12 1.539 0.287 -9.386 74 2HA GLY 12 HA1 GLY 12 1.037 -0.069 -12.238 75 1HA GLY 12 HA2 GLY 12 1.774 1.345 -11.483 76 H LYS 13 HN LYS 13 -0.710 1.262 -9.572 77 HA LYS 13 HA LYS 13 -2.539 2.713 -11.432 78 2HB LYS 13 HB1 LYS 13 -4.215 1.799 -9.465 79 1HB LYS 13 HB2 LYS 13 -3.085 0.456 -9.623 80 2HG LYS 13 HG1 LYS 13 -4.194 -0.201 -11.468 81 1HG LYS 13 HG2 LYS 13 -3.698 1.296 -12.258 82 2HD LYS 13 HD1 LYS 13 -5.693 2.406 -11.670 83 1HD LYS 13 HD2 LYS 13 -6.065 1.252 -10.390 84 1HE LYS 13 HE1 LYS 13 -5.876 0.246 -13.207 85 2HE LYS 13 HE2 LYS 13 -7.318 1.143 -12.733 86 1HZ LYS 13 HZ1 LYS 13 -6.239 -1.245 -11.332 87 2HZ LYS 13 HZ2 LYS 13 -7.585 -1.232 -12.369 88 3HZ LYS 13 HZ3 LYS 13 -7.636 -0.386 -10.897 89 H ASN 14 HN ASN 14 -2.092 2.156 -7.965 90 HA ASN 14 HA ASN 14 -2.501 5.081 -7.508 91 2HB ASN 14 HB1 ASN 14 -2.643 2.965 -5.361 92 1HB ASN 14 HB2 ASN 14 -4.028 3.292 -6.404 93 1HD2 ASN 14 HD21 ASN 14 -4.829 5.623 -6.406 94 2HD2 ASN 14 HD22 ASN 14 -4.617 6.553 -5.001 95 H GLU 15 HN GLU 15 -0.943 6.249 -6.393 96 HA GLU 15 HA GLU 15 1.708 4.986 -6.136 97 2HB GLU 15 HB1 GLU 15 2.292 7.425 -5.404 98 1HB GLU 15 HB2 GLU 15 0.676 7.811 -5.994 99 2HG GLU 15 HG1 GLU 15 2.219 8.152 -7.822 100 1HG GLU 15 HG2 GLU 15 1.301 6.688 -8.172 101 H CYS 16 HN CYS 16 -0.896 6.081 -4.044 102 HA CYS 16 HA CYS 16 -1.217 5.805 -1.741 103 2HB CYS 16 HB1 CYS 16 1.283 4.367 -1.180 104 1HB CYS 16 HB2 CYS 16 0.346 3.641 -2.485 105 H CYS 17 HN CYS 17 0.661 5.810 0.371 106 HA CYS 17 HA CYS 17 1.349 8.594 0.515 107 2HB CYS 17 HB1 CYS 17 2.919 7.253 2.420 108 1HB CYS 17 HB2 CYS 17 1.469 6.264 2.247 109 HA PRO 18 HA PRO 18 5.415 8.730 -1.160 110 2HB PRO 18 HB1 PRO 18 5.443 10.988 -0.698 111 1HB PRO 18 HB2 PRO 18 6.621 10.527 0.542 112 1HG PRO 18 HG1 PRO 18 4.229 11.811 1.090 113 2HG PRO 18 HG2 PRO 18 5.076 10.782 2.257 114 1HD PRO 18 HD2 PRO 18 3.215 9.434 2.216 115 2HD PRO 18 HD1 PRO 18 2.567 10.260 0.783 116 H ASN 19 HN ASN 19 5.327 8.340 2.396 117 HA ASN 19 HA ASN 19 7.963 7.047 2.433 118 2HB ASN 19 HB1 ASN 19 7.428 6.729 4.882 119 1HB ASN 19 HB2 ASN 19 5.890 7.541 4.584 120 1HD2 ASN 19 HD21 ASN 19 9.441 8.031 4.469 121 2HD2 ASN 19 HD22 ASN 19 9.368 9.724 4.562 122 H ARG 20 HN ARG 20 4.787 6.054 1.794 123 HA ARG 20 HA ARG 20 5.404 3.225 2.546 124 2HB ARG 20 HB1 ARG 20 2.827 3.013 2.090 125 1HB ARG 20 HB2 ARG 20 2.828 4.764 2.298 126 2HG ARG 20 HG1 ARG 20 3.741 4.567 4.523 127 1HG ARG 20 HG2 ARG 20 4.031 2.841 4.309 128 1HD ARG 20 HD1 ARG 20 1.991 3.238 5.646 129 2HD ARG 20 HD2 ARG 20 1.597 2.459 4.114 130 HE ARG 20 HE ARG 20 0.620 4.528 3.353 131 1HH1 ARG 20 HH11 ARG 20 2.628 6.308 4.847 132 2HH1 ARG 20 HH12 ARG 20 1.588 7.076 5.999 133 1HH2 ARG 20 HH21 ARG 20 -1.015 4.818 5.553 134 2HH2 ARG 20 HH22 ARG 20 -0.479 6.231 6.400 135 H VAL 21 HN VAL 21 4.529 1.591 0.931 136 HA VAL 21 HA VAL 21 4.315 2.636 -1.842 137 HB VAL 21 HB VAL 21 5.937 0.768 -2.552 138 1HG1 VAL 21 HG11 VAL 21 7.160 3.016 -0.935 139 2HG1 VAL 21 HG12 VAL 21 6.385 3.274 -2.498 140 3HG1 VAL 21 HG13 VAL 21 7.814 2.247 -2.381 141 1HG2 VAL 21 HG21 VAL 21 5.902 -0.263 -0.210 142 2HG2 VAL 21 HG22 VAL 21 6.915 1.088 0.299 143 3HG2 VAL 21 HG23 VAL 21 7.499 -0.041 -0.924 144 H CYS 22 HN CYS 22 3.339 1.135 -3.314 145 HA CYS 22 HA CYS 22 1.434 -0.678 -2.038 146 2HB CYS 22 HB1 CYS 22 1.957 -0.415 -5.008 147 1HB CYS 22 HB2 CYS 22 0.997 0.764 -4.116 148 H SER 23 HN SER 23 1.989 -2.716 -1.473 149 HA SER 23 HA SER 23 4.344 -4.008 -2.691 150 2HB SER 23 HB1 SER 23 2.474 -5.095 -0.570 151 1HB SER 23 HB2 SER 23 3.864 -4.075 -0.214 152 HG SER 23 HG SER 23 4.546 -6.170 -0.054 153 H ASP 24 HN ASP 24 4.275 -5.921 -3.900 154 HA ASP 24 HA ASP 24 1.695 -6.490 -5.233 155 2HB ASP 24 HB1 ASP 24 4.192 -7.998 -5.891 156 1HB ASP 24 HB2 ASP 24 4.145 -6.281 -6.290 157 H LYS 25 HN LYS 25 4.241 -8.278 -3.455 158 HA LYS 25 HA LYS 25 2.826 -10.783 -3.376 159 2HB LYS 25 HB1 LYS 25 4.707 -9.988 -1.179 160 1HB LYS 25 HB2 LYS 25 5.346 -10.162 -2.813 161 1HG LYS 25 HG1 LYS 25 3.622 -12.308 -1.571 162 2HG LYS 25 HG2 LYS 25 5.361 -12.254 -1.281 163 2HD LYS 25 HD1 LYS 25 5.790 -12.363 -3.694 164 1HD LYS 25 HD2 LYS 25 4.057 -12.334 -4.022 165 1HE LYS 25 HE1 LYS 25 5.060 -14.437 -2.155 166 2HE LYS 25 HE2 LYS 25 5.441 -14.631 -3.865 167 1HZ LYS 25 HZ1 LYS 25 3.324 -15.675 -3.214 168 2HZ LYS 25 HZ2 LYS 25 3.128 -14.484 -4.410 169 3HZ LYS 25 HZ3 LYS 25 2.712 -14.149 -2.797 170 H HIS 26 HN HIS 26 2.810 -7.917 -1.311 171 HA HIS 26 HA HIS 26 1.062 -9.214 0.686 172 2HB HIS 26 HB1 HIS 26 1.094 -6.754 1.587 173 1HB HIS 26 HB2 HIS 26 2.407 -6.533 0.438 174 HD1 HIS 26 HD1 HIS 26 3.864 -9.220 0.699 175 HD2 HIS 26 HD2 HIS 26 2.481 -7.049 3.978 176 HE1 HIS 26 HE1 HIS 26 5.229 -9.981 2.690 177 H LYS 27 HN LYS 27 0.840 -7.107 -2.100 178 HA LYS 27 HA LYS 27 -0.999 -6.347 -3.307 179 2HB LYS 27 HB1 LYS 27 -3.298 -7.323 -2.180 180 1HB LYS 27 HB2 LYS 27 -2.115 -8.517 -1.650 181 2HG LYS 27 HG1 LYS 27 -1.878 -9.353 -3.739 182 1HG LYS 27 HG2 LYS 27 -1.755 -7.745 -4.452 183 2HD LYS 27 HD1 LYS 27 -3.761 -8.477 -5.375 184 1HD LYS 27 HD2 LYS 27 -4.348 -7.660 -3.927 185 2HE LYS 27 HE1 LYS 27 -3.787 -10.199 -2.991 186 1HE LYS 27 HE2 LYS 27 -4.389 -10.521 -4.617 187 1HZ LYS 27 HZ1 LYS 27 -6.340 -9.179 -4.120 188 2HZ LYS 27 HZ2 LYS 27 -5.761 -8.888 -2.549 189 3HZ LYS 27 HZ3 LYS 27 -6.192 -10.462 -3.021 190 H TRP 28 HN TRP 28 -0.094 -5.121 -0.564 191 HA TRP 28 HA TRP 28 -2.239 -3.092 -0.564 192 2HB TRP 28 HB1 TRP 28 -3.025 -4.590 1.185 193 1HB TRP 28 HB2 TRP 28 -2.427 -3.109 1.920 194 HD1 TRP 28 HD1 TRP 28 0.431 -3.387 2.508 195 HE1 TRP 28 HE1 TRP 28 1.459 -5.307 3.883 196 HE3 TRP 28 HE3 TRP 28 -3.254 -6.891 2.026 197 HZ2 TRP 28 HZ2 TRP 28 0.804 -7.976 4.678 198 HZ3 TRP 28 HZ3 TRP 28 -3.027 -9.109 3.105 199 HH2 TRP 28 HH2 TRP 28 -1.004 -9.656 4.429 200 H CYS 29 HN CYS 29 -1.567 -1.136 0.737 201 HA CYS 29 HA CYS 29 1.169 -0.417 0.104 202 2HB CYS 29 HB1 CYS 29 0.563 1.681 1.447 203 1HB CYS 29 HB2 CYS 29 -1.036 0.966 1.654 204 H LYS 30 HN LYS 30 2.960 -0.553 1.420 205 HA LYS 30 HA LYS 30 2.520 -1.078 4.328 206 2HB LYS 30 HB1 LYS 30 2.941 -3.247 3.317 207 1HB LYS 30 HB2 LYS 30 4.363 -2.767 4.241 208 2HG LYS 30 HG1 LYS 30 4.948 -1.689 1.797 209 1HG LYS 30 HG2 LYS 30 4.034 -3.118 1.319 210 1HD LYS 30 HD1 LYS 30 6.270 -3.263 3.348 211 2HD LYS 30 HD2 LYS 30 6.576 -3.406 1.618 212 2HE LYS 30 HE1 LYS 30 6.206 -5.629 2.018 213 1HE LYS 30 HE2 LYS 30 4.514 -5.154 1.881 214 1HZ LYS 30 HZ1 LYS 30 5.850 -4.920 4.487 215 2HZ LYS 30 HZ2 LYS 30 5.353 -6.455 3.955 216 3HZ LYS 30 HZ3 LYS 30 4.215 -5.205 4.134 217 H TRP 31 HN TRP 31 4.662 -0.868 5.556 218 HA TRP 31 HA TRP 31 5.873 1.701 4.871 219 2HB TRP 31 HB1 TRP 31 7.275 1.137 6.972 220 1HB TRP 31 HB2 TRP 31 6.210 -0.257 7.147 221 HD1 TRP 31 HD1 TRP 31 4.193 0.181 8.607 222 HE1 TRP 31 HE1 TRP 31 2.779 2.238 9.251 223 HE3 TRP 31 HE3 TRP 31 6.520 3.763 5.808 224 HZ2 TRP 31 HZ2 TRP 31 2.650 5.033 8.656 225 HZ3 TRP 31 HZ3 TRP 31 5.731 6.110 5.869 226 HH2 TRP 31 HH2 TRP 31 3.803 6.750 7.286 227 H LYS 32 HN LYS 32 8.141 2.029 4.493 228 HA LYS 32 HA LYS 32 9.409 -0.204 3.036 229 1HB LYS 32 HB1 LYS 32 10.955 1.455 2.189 230 2HB LYS 32 HB2 LYS 32 10.406 2.633 3.383 231 2HG LYS 32 HG1 LYS 32 8.364 2.967 2.304 232 1HG LYS 32 HG2 LYS 32 8.414 1.398 1.502 233 1HD LYS 32 HD1 LYS 32 10.511 3.452 0.852 234 2HD LYS 32 HD2 LYS 32 8.910 3.597 0.128 235 2HE LYS 32 HE1 LYS 32 9.551 2.085 -1.417 236 1HE LYS 32 HE2 LYS 32 9.613 0.878 -0.133 237 1HZ LYS 32 HZ1 LYS 32 11.718 1.055 -1.324 238 2HZ LYS 32 HZ2 LYS 32 11.895 1.490 0.309 239 3HZ LYS 32 HZ3 LYS 32 11.841 2.691 -0.892 240 H LEU 33 HN LEU 33 9.784 1.615 5.972 241 HA LEU 33 HA LEU 33 12.373 0.289 6.579 242 2HB LEU 33 HB1 LEU 33 12.049 1.807 8.725 243 1HB LEU 33 HB2 LEU 33 10.890 2.648 7.695 244 HG LEU 33 HG LEU 33 13.454 2.028 6.374 245 1HD1 LEU 33 HD11 LEU 33 11.662 4.447 6.695 246 2HD1 LEU 33 HD12 LEU 33 11.875 3.443 5.261 247 3HD1 LEU 33 HD13 LEU 33 13.181 4.498 5.800 248 1HD2 LEU 33 HD21 LEU 33 14.731 3.755 7.544 249 2HD2 LEU 33 HD22 LEU 33 14.211 2.530 8.702 250 3HD2 LEU 33 HD23 LEU 33 13.365 4.075 8.614 No H/Q in entry = 250 Start of MODEL 6 1 HA ALA 1 HA ALA 1 -5.992 11.927 0.622 2 1HB ALA 1 HB1 ALA 1 -3.552 12.426 0.900 3 2HB ALA 1 HB2 ALA 1 -3.728 12.132 2.631 4 3HB ALA 1 HB3 ALA 1 -4.587 13.473 1.872 5 H1 ALA 1 HT1 ALA 1 -6.758 12.412 2.807 6 H2 ALA 1 HT2 ALA 1 -5.739 11.242 3.500 7 H3 ALA 1 HT3 ALA 1 -7.045 10.765 2.524 8 H CYS 2 HN CYS 2 -4.120 9.903 2.930 9 HA CYS 2 HA CYS 2 -4.298 7.650 0.996 10 1HB CYS 2 HB1 CYS 2 -2.151 8.831 0.562 11 2HB CYS 2 HB2 CYS 2 -1.901 7.197 1.173 12 H LYS 3 HN LYS 3 -3.356 5.590 2.092 13 HA LYS 3 HA LYS 3 -4.583 5.380 4.762 14 2HB LYS 3 HB1 LYS 3 -4.044 2.957 4.529 15 1HB LYS 3 HB2 LYS 3 -3.235 3.307 3.002 16 1HG LYS 3 HG1 LYS 3 -5.937 4.444 3.147 17 2HG LYS 3 HG2 LYS 3 -5.926 2.687 3.303 18 2HD LYS 3 HD1 LYS 3 -4.148 3.027 1.262 19 1HD LYS 3 HD2 LYS 3 -5.232 4.389 0.979 20 2HE LYS 3 HE1 LYS 3 -6.577 2.896 -0.069 21 1HE LYS 3 HE2 LYS 3 -6.975 2.304 1.544 22 1HZ LYS 3 HZ1 LYS 3 -4.734 1.313 -0.136 23 2HZ LYS 3 HZ2 LYS 3 -6.225 0.526 0.070 24 3HZ LYS 3 HZ3 LYS 3 -5.175 0.721 1.391 25 H GLY 4 HN GLY 4 -3.252 3.888 6.355 26 2HA GLY 4 HA1 GLY 4 -1.519 4.227 7.970 27 1HA GLY 4 HA2 GLY 4 -0.686 5.278 6.824 28 H VAL 5 HN VAL 5 0.276 2.902 8.386 29 HA VAL 5 HA VAL 5 1.605 1.524 6.127 30 HB VAL 5 HB VAL 5 2.185 0.896 9.006 31 1HG1 VAL 5 HG11 VAL 5 3.777 1.066 6.438 32 2HG1 VAL 5 HG12 VAL 5 3.402 -0.379 7.377 33 3HG1 VAL 5 HG13 VAL 5 4.522 0.822 8.018 34 1HG2 VAL 5 HG21 VAL 5 3.786 2.818 9.036 35 2HG2 VAL 5 HG22 VAL 5 2.105 3.346 8.969 36 3HG2 VAL 5 HG23 VAL 5 3.098 3.378 7.512 37 H PHE 6 HN PHE 6 1.802 -0.849 6.164 38 HA PHE 6 HA PHE 6 0.780 -2.954 6.057 39 2HB PHE 6 HB1 PHE 6 -0.423 -2.564 8.760 40 1HB PHE 6 HB2 PHE 6 1.331 -2.432 8.634 41 HD1 PHE 6 HD1 PHE 6 -1.541 -4.675 8.509 42 HD2 PHE 6 HD2 PHE 6 2.667 -4.341 7.711 43 HE1 PHE 6 HE1 PHE 6 -1.363 -7.146 8.411 44 HE2 PHE 6 HE2 PHE 6 2.843 -6.812 7.614 45 HZ PHE 6 HZ PHE 6 0.829 -8.214 7.963 46 H ASP 7 HN ASP 7 -0.783 -0.929 4.860 47 HA ASP 7 HA ASP 7 -3.571 -1.561 5.717 48 2HB ASP 7 HB1 ASP 7 -2.713 0.519 3.690 49 1HB ASP 7 HB2 ASP 7 -2.810 0.861 5.418 50 H ALA 8 HN ALA 8 -4.307 -3.350 4.677 51 HA ALA 8 HA ALA 8 -3.310 -4.553 2.356 52 1HB ALA 8 HB1 ALA 8 -4.955 -5.636 3.830 53 2HB ALA 8 HB2 ALA 8 -5.503 -5.669 2.154 54 3HB ALA 8 HB3 ALA 8 -6.195 -4.507 3.286 55 H CYS 9 HN CYS 9 -3.183 -3.844 0.309 56 HA CYS 9 HA CYS 9 -5.392 -2.202 -0.821 57 2HB CYS 9 HB1 CYS 9 -3.693 -0.593 -0.083 58 1HB CYS 9 HB2 CYS 9 -3.731 -0.662 -1.844 59 H THR 10 HN THR 10 -5.049 -1.997 -3.290 60 HA THR 10 HA THR 10 -4.348 -4.678 -4.321 61 HB THR 10 HB THR 10 -5.484 -2.315 -5.848 62 HG1 THR 10 HG1 THR 10 -7.319 -2.755 -4.959 63 1HG2 THR 10 HG21 THR 10 -4.600 -4.020 -7.308 64 2HG2 THR 10 HG22 THR 10 -6.356 -4.181 -7.305 65 3HG2 THR 10 HG23 THR 10 -5.366 -5.298 -6.364 66 HA PRO 11 HA PRO 11 -0.408 -3.147 -5.676 67 2HB PRO 11 HB1 PRO 11 0.431 -5.248 -5.221 68 1HB PRO 11 HB2 PRO 11 0.350 -5.450 -6.979 69 1HG PRO 11 HG1 PRO 11 -0.998 -7.064 -5.172 70 2HG PRO 11 HG2 PRO 11 -1.525 -6.810 -6.844 71 1HD PRO 11 HD2 PRO 11 -3.434 -5.876 -5.969 72 2HD PRO 11 HD1 PRO 11 -2.732 -5.815 -4.338 73 H GLY 12 HN GLY 12 0.184 -2.044 -7.508 74 2HA GLY 12 HA1 GLY 12 -0.986 -2.822 -10.130 75 1HA GLY 12 HA2 GLY 12 0.373 -1.720 -9.900 76 H LYS 13 HN LYS 13 -2.333 -1.317 -7.768 77 HA LYS 13 HA LYS 13 -3.544 0.793 -9.464 78 2HB LYS 13 HB1 LYS 13 -5.284 0.850 -7.652 79 1HB LYS 13 HB2 LYS 13 -4.409 -0.450 -6.842 80 2HG LYS 13 HG1 LYS 13 -5.260 -2.007 -8.244 81 1HG LYS 13 HG2 LYS 13 -4.870 -1.037 -9.666 82 2HD LYS 13 HD1 LYS 13 -6.895 0.261 -9.409 83 1HD LYS 13 HD2 LYS 13 -7.240 -0.500 -7.855 84 2HE LYS 13 HE1 LYS 13 -7.990 -2.445 -8.826 85 1HE LYS 13 HE2 LYS 13 -6.873 -2.321 -10.184 86 1HZ LYS 13 HZ1 LYS 13 -8.232 -0.587 -11.130 87 2HZ LYS 13 HZ2 LYS 13 -9.285 -0.631 -9.798 88 3HZ LYS 13 HZ3 LYS 13 -9.183 -1.962 -10.848 89 H ASN 14 HN ASN 14 -1.412 0.433 -6.788 90 HA ASN 14 HA ASN 14 -0.308 1.977 -5.428 91 2HB ASN 14 HB1 ASN 14 -1.252 4.221 -7.191 92 1HB ASN 14 HB2 ASN 14 -0.118 3.035 -7.839 93 1HD2 ASN 14 HD21 ASN 14 -0.530 5.490 -5.271 94 2HD2 ASN 14 HD22 ASN 14 1.125 5.653 -4.935 95 H GLU 15 HN GLU 15 -2.273 1.362 -4.023 96 HA GLU 15 HA GLU 15 -4.075 3.695 -3.569 97 1HB GLU 15 HB1 GLU 15 -5.549 2.190 -2.423 98 2HB GLU 15 HB2 GLU 15 -4.307 0.945 -2.317 99 2HG GLU 15 HG1 GLU 15 -5.783 0.288 -4.094 100 1HG GLU 15 HG2 GLU 15 -4.312 0.883 -4.862 101 H CYS 16 HN CYS 16 -1.931 4.650 -2.681 102 HA CYS 16 HA CYS 16 -2.074 4.682 0.207 103 2HB CYS 16 HB1 CYS 16 0.628 3.762 -0.633 104 1HB CYS 16 HB2 CYS 16 -0.647 2.544 -0.645 105 H CYS 17 HN CYS 17 0.111 5.887 1.014 106 HA CYS 17 HA CYS 17 0.152 8.430 -0.372 107 2HB CYS 17 HB1 CYS 17 2.345 8.357 1.384 108 1HB CYS 17 HB2 CYS 17 1.129 7.325 2.135 109 HA PRO 18 HA PRO 18 3.648 7.984 -3.006 110 2HB PRO 18 HB1 PRO 18 3.551 10.230 -3.485 111 1HB PRO 18 HB2 PRO 18 5.063 10.305 -2.564 112 1HG PRO 18 HG1 PRO 18 2.781 11.715 -1.889 113 2HG PRO 18 HG2 PRO 18 4.014 11.236 -0.712 114 1HD PRO 18 HD2 PRO 18 2.358 10.007 0.307 115 2HD PRO 18 HD1 PRO 18 1.276 10.176 -1.091 116 H ASN 19 HN ASN 19 4.519 8.896 0.331 117 HA ASN 19 HA ASN 19 7.275 8.034 0.118 118 1HB ASN 19 HB1 ASN 19 7.297 8.224 2.579 119 2HB ASN 19 HB2 ASN 19 5.542 8.399 2.579 120 1HD2 ASN 19 HD21 ASN 19 8.571 9.994 1.525 121 2HD2 ASN 19 HD22 ASN 19 7.896 11.546 1.394 122 H ARG 20 HN ARG 20 4.256 6.486 0.879 123 HA ARG 20 HA ARG 20 5.625 3.961 1.650 124 2HB ARG 20 HB1 ARG 20 3.266 3.190 2.134 125 1HB ARG 20 HB2 ARG 20 2.714 4.814 1.723 126 2HG ARG 20 HG1 ARG 20 4.477 5.605 3.468 127 1HG ARG 20 HG2 ARG 20 4.446 3.934 4.031 128 2HD ARG 20 HD1 ARG 20 2.432 4.213 5.025 129 1HD ARG 20 HD2 ARG 20 1.761 5.020 3.608 130 HE ARG 20 HE ARG 20 3.495 6.875 4.833 131 1HH1 ARG 20 HH11 ARG 20 1.045 8.076 4.526 132 2HH1 ARG 20 HH12 ARG 20 0.226 7.963 6.048 133 1HH2 ARG 20 HH21 ARG 20 2.274 5.430 7.262 134 2HH2 ARG 20 HH22 ARG 20 0.924 6.461 7.602 135 H VAL 21 HN VAL 21 4.541 1.923 0.639 136 HA VAL 21 HA VAL 21 3.616 2.371 -2.146 137 HB VAL 21 HB VAL 21 5.277 0.568 -2.901 138 1HG1 VAL 21 HG11 VAL 21 5.403 3.149 -3.212 139 2HG1 VAL 21 HG12 VAL 21 6.862 2.200 -3.495 140 3HG1 VAL 21 HG13 VAL 21 6.663 3.080 -1.980 141 1HG2 VAL 21 HG21 VAL 21 5.898 -0.124 -0.572 142 2HG2 VAL 21 HG22 VAL 21 6.681 1.441 -0.353 143 3HG2 VAL 21 HG23 VAL 21 7.297 0.308 -1.555 144 H CYS 22 HN CYS 22 2.556 0.509 -3.057 145 HA CYS 22 HA CYS 22 1.365 -1.247 -1.004 146 2HB CYS 22 HB1 CYS 22 0.147 -2.075 -3.225 147 1HB CYS 22 HB2 CYS 22 0.737 -0.532 -3.843 148 H SER 23 HN SER 23 2.092 -3.278 -0.633 149 HA SER 23 HA SER 23 4.274 -4.380 -2.231 150 2HB SER 23 HB1 SER 23 2.724 -5.802 -0.057 151 1HB SER 23 HB2 SER 23 3.987 -4.627 0.296 152 HG SER 23 HG SER 23 5.156 -6.397 0.173 153 H ASP 24 HN ASP 24 4.204 -6.345 -3.431 154 HA ASP 24 HA ASP 24 1.547 -6.932 -4.613 155 2HB ASP 24 HB1 ASP 24 3.223 -8.471 -6.051 156 1HB ASP 24 HB2 ASP 24 4.388 -7.292 -5.453 157 H LYS 25 HN LYS 25 4.330 -8.752 -3.266 158 HA LYS 25 HA LYS 25 2.886 -11.259 -3.129 159 2HB LYS 25 HB1 LYS 25 4.824 -11.912 -1.605 160 1HB LYS 25 HB2 LYS 25 5.450 -10.281 -1.851 161 2HG LYS 25 HG1 LYS 25 5.856 -10.645 -4.128 162 1HG LYS 25 HG2 LYS 25 4.694 -11.969 -4.225 163 1HD LYS 25 HD1 LYS 25 6.731 -12.626 -2.295 164 2HD LYS 25 HD2 LYS 25 7.497 -12.150 -3.811 165 2HE LYS 25 HE1 LYS 25 5.958 -13.735 -5.009 166 1HE LYS 25 HE2 LYS 25 5.370 -14.280 -3.438 167 1HZ LYS 25 HZ1 LYS 25 7.674 -14.863 -2.863 168 2HZ LYS 25 HZ2 LYS 25 8.162 -14.444 -4.436 169 3HZ LYS 25 HZ3 LYS 25 7.094 -15.742 -4.193 170 H HIS 26 HN HIS 26 3.317 -8.544 -0.915 171 HA HIS 26 HA HIS 26 2.092 -10.023 1.332 172 2HB HIS 26 HB1 HIS 26 2.351 -7.811 2.513 173 1HB HIS 26 HB2 HIS 26 3.077 -7.172 1.044 174 HD1 HIS 26 HD1 HIS 26 5.311 -6.862 2.465 175 HD2 HIS 26 HD2 HIS 26 4.115 -10.816 1.903 176 HE1 HIS 26 HE1 HIS 26 7.305 -8.306 3.060 177 H LYS 27 HN LYS 27 1.249 -7.574 -1.061 178 HA LYS 27 HA LYS 27 -0.839 -6.837 -1.791 179 2HB LYS 27 HB1 LYS 27 -2.553 -8.234 0.101 180 1HB LYS 27 HB2 LYS 27 -1.394 -9.328 -0.655 181 2HG LYS 27 HG1 LYS 27 -2.115 -7.999 -2.848 182 1HG LYS 27 HG2 LYS 27 -3.577 -7.706 -1.905 183 2HD LYS 27 HD1 LYS 27 -3.918 -10.091 -1.599 184 1HD LYS 27 HD2 LYS 27 -2.367 -10.451 -2.358 185 1HE LYS 27 HE1 LYS 27 -4.454 -8.877 -3.855 186 2HE LYS 27 HE2 LYS 27 -4.554 -10.636 -3.788 187 1HZ LYS 27 HZ1 LYS 27 -2.221 -9.065 -4.745 188 2HZ LYS 27 HZ2 LYS 27 -3.319 -9.914 -5.723 189 3HZ LYS 27 HZ3 LYS 27 -2.298 -10.757 -4.659 190 H TRP 28 HN TRP 28 0.619 -5.787 0.767 191 HA TRP 28 HA TRP 28 -1.658 -4.042 1.556 192 1HB TRP 28 HB1 TRP 28 -1.384 -5.744 3.349 193 2HB TRP 28 HB2 TRP 28 -1.058 -4.111 3.913 194 HD1 TRP 28 HD1 TRP 28 1.754 -3.466 3.665 195 HE1 TRP 28 HE1 TRP 28 3.697 -4.917 4.532 196 HE3 TRP 28 HE3 TRP 28 -0.594 -7.989 3.976 197 HZ2 TRP 28 HZ2 TRP 28 4.191 -7.634 5.268 198 HZ3 TRP 28 HZ3 TRP 28 0.635 -9.989 4.768 199 HH2 TRP 28 HH2 TRP 28 3.023 -9.818 5.414 200 H CYS 29 HN CYS 29 -0.983 -1.942 2.353 201 HA CYS 29 HA CYS 29 1.278 -0.859 0.917 202 2HB CYS 29 HB1 CYS 29 -0.358 0.410 3.136 203 1HB CYS 29 HB2 CYS 29 -0.802 0.428 1.430 204 H LYS 30 HN LYS 30 3.361 -0.608 1.624 205 HA LYS 30 HA LYS 30 3.916 -0.721 4.542 206 2HB LYS 30 HB1 LYS 30 4.369 -2.967 4.137 207 1HB LYS 30 HB2 LYS 30 5.950 -2.248 3.847 208 1HG LYS 30 HG1 LYS 30 3.992 -2.582 1.577 209 2HG LYS 30 HG2 LYS 30 4.998 -3.933 2.095 210 2HD LYS 30 HD1 LYS 30 6.959 -2.208 1.917 211 1HD LYS 30 HD2 LYS 30 5.836 -1.299 0.905 212 2HE LYS 30 HE1 LYS 30 5.530 -3.345 -0.504 213 1HE LYS 30 HE2 LYS 30 6.761 -4.155 0.464 214 1HZ LYS 30 HZ1 LYS 30 7.051 -1.944 -1.445 215 2HZ LYS 30 HZ2 LYS 30 8.010 -3.331 -1.245 216 3HZ LYS 30 HZ3 LYS 30 8.137 -2.043 -0.146 217 H TRP 31 HN TRP 31 6.255 -0.129 4.985 218 HA TRP 31 HA TRP 31 6.923 2.299 3.547 219 2HB TRP 31 HB1 TRP 31 9.044 2.062 5.086 220 1HB TRP 31 HB2 TRP 31 8.109 0.779 5.854 221 HD1 TRP 31 HD1 TRP 31 6.665 1.585 7.775 222 HE1 TRP 31 HE1 TRP 31 5.516 3.799 8.429 223 HE3 TRP 31 HE3 TRP 31 7.930 4.451 3.751 224 HZ2 TRP 31 HZ2 TRP 31 5.180 6.441 7.379 225 HZ3 TRP 31 HZ3 TRP 31 7.189 6.808 3.602 226 HH2 TRP 31 HH2 TRP 31 5.815 7.808 5.408 227 H LYS 32 HN LYS 32 9.253 2.639 2.792 228 HA LYS 32 HA LYS 32 9.993 0.388 1.007 229 1HB LYS 32 HB1 LYS 32 11.095 2.000 -0.362 230 2HB LYS 32 HB2 LYS 32 11.101 3.196 0.934 231 2HG LYS 32 HG1 LYS 32 8.665 3.377 0.823 232 1HG LYS 32 HG2 LYS 32 8.599 2.096 -0.387 233 1HD LYS 32 HD1 LYS 32 10.284 4.537 -0.890 234 2HD LYS 32 HD2 LYS 32 8.542 4.610 -1.157 235 2HE LYS 32 HE1 LYS 32 8.679 2.703 -2.696 236 1HE LYS 32 HE2 LYS 32 10.409 2.557 -2.389 237 1HZ LYS 32 HZ1 LYS 32 9.913 3.777 -4.439 238 2HZ LYS 32 HZ2 LYS 32 10.755 4.734 -3.316 239 3HZ LYS 32 HZ3 LYS 32 9.085 4.953 -3.541 240 H LEU 33 HN LEU 33 11.190 2.279 3.667 241 HA LEU 33 HA LEU 33 13.443 0.398 3.993 242 2HB LEU 33 HB1 LEU 33 14.094 3.328 4.148 243 1HB LEU 33 HB2 LEU 33 14.091 2.527 2.576 244 HG LEU 33 HG LEU 33 15.563 1.306 4.905 245 1HD1 LEU 33 HD11 LEU 33 15.179 0.015 2.804 246 2HD1 LEU 33 HD12 LEU 33 16.890 0.308 3.112 247 3HD1 LEU 33 HD13 LEU 33 16.034 1.271 1.908 248 1HD2 LEU 33 HD21 LEU 33 16.552 3.479 3.031 249 2HD2 LEU 33 HD22 LEU 33 17.607 2.494 4.046 250 3HD2 LEU 33 HD23 LEU 33 16.428 3.575 4.788 No H/Q in entry = 250 Start of MODEL 7 1 HA ALA 1 HA ALA 1 1.446 13.592 1.456 2 1HB ALA 1 HB1 ALA 1 -0.863 14.371 1.106 3 2HB ALA 1 HB2 ALA 1 -0.590 14.424 -0.636 4 3HB ALA 1 HB3 ALA 1 0.285 15.525 0.428 5 H1 ALA 1 HT1 ALA 1 2.794 13.036 -0.476 6 H2 ALA 1 HT2 ALA 1 2.437 14.696 -0.440 7 H3 ALA 1 HT3 ALA 1 1.608 13.669 -1.510 8 H CYS 2 HN CYS 2 1.018 11.560 2.137 9 HA CYS 2 HA CYS 2 -0.812 9.840 0.564 10 2HB CYS 2 HB1 CYS 2 1.386 9.214 -0.292 11 1HB CYS 2 HB2 CYS 2 0.770 7.913 0.727 12 H LYS 3 HN LYS 3 -1.144 7.689 1.898 13 HA LYS 3 HA LYS 3 -2.005 8.478 4.566 14 2HB LYS 3 HB1 LYS 3 -2.594 5.977 4.710 15 1HB LYS 3 HB2 LYS 3 -2.053 5.872 3.035 16 1HG LYS 3 HG1 LYS 3 -3.860 8.134 3.510 17 2HG LYS 3 HG2 LYS 3 -4.607 6.577 3.869 18 2HD LYS 3 HD1 LYS 3 -4.427 5.837 1.678 19 1HD LYS 3 HD2 LYS 3 -3.020 6.846 1.342 20 2HE LYS 3 HE1 LYS 3 -4.454 8.853 1.356 21 1HE LYS 3 HE2 LYS 3 -5.861 7.851 1.711 22 1HZ LYS 3 HZ1 LYS 3 -5.542 6.693 -0.369 23 2HZ LYS 3 HZ2 LYS 3 -4.148 7.606 -0.705 24 3HZ LYS 3 HZ3 LYS 3 -5.670 8.360 -0.654 25 H GLY 4 HN GLY 4 -1.490 6.625 6.353 26 2HA GLY 4 HA1 GLY 4 0.213 6.172 7.942 27 1HA GLY 4 HA2 GLY 4 1.400 6.834 6.818 28 H VAL 5 HN VAL 5 1.315 4.244 8.378 29 HA VAL 5 HA VAL 5 2.115 2.497 6.128 30 HB VAL 5 HB VAL 5 2.278 1.686 9.021 31 1HG1 VAL 5 HG11 VAL 5 3.016 -0.027 7.599 32 2HG1 VAL 5 HG12 VAL 5 4.518 0.799 8.011 33 3HG1 VAL 5 HG13 VAL 5 3.743 1.102 6.457 34 1HG2 VAL 5 HG21 VAL 5 3.852 3.828 7.621 35 2HG2 VAL 5 HG22 VAL 5 4.680 2.781 8.773 36 3HG2 VAL 5 HG23 VAL 5 3.311 3.759 9.298 37 H PHE 6 HN PHE 6 1.418 0.199 6.157 38 HA PHE 6 HA PHE 6 -0.274 -1.400 6.014 39 2HB PHE 6 HB1 PHE 6 -1.866 -1.097 8.232 40 1HB PHE 6 HB2 PHE 6 -0.375 -0.311 8.751 41 HD1 PHE 6 HD1 PHE 6 -2.038 -3.421 8.412 42 HD2 PHE 6 HD2 PHE 6 1.851 -1.614 8.145 43 HE1 PHE 6 HE1 PHE 6 -0.983 -5.641 8.733 44 HE2 PHE 6 HE2 PHE 6 2.904 -3.835 8.467 45 HZ PHE 6 HZ PHE 6 1.488 -5.848 8.761 46 H ASP 7 HN ASP 7 -0.773 1.148 4.711 47 HA ASP 7 HA ASP 7 -3.653 1.676 5.135 48 2HB ASP 7 HB1 ASP 7 -1.566 2.902 3.309 49 1HB ASP 7 HB2 ASP 7 -2.313 3.636 4.727 50 H ALA 8 HN ALA 8 -5.031 0.258 4.183 51 HA ALA 8 HA ALA 8 -4.393 -1.618 2.173 52 1HB ALA 8 HB1 ALA 8 -7.074 -0.369 2.832 53 2HB ALA 8 HB2 ALA 8 -6.405 -1.847 3.523 54 3HB ALA 8 HB3 ALA 8 -6.858 -1.796 1.819 55 H CYS 9 HN CYS 9 -3.828 -1.283 0.100 56 HA CYS 9 HA CYS 9 -5.276 0.708 -1.533 57 1HB CYS 9 HB1 CYS 9 -3.380 1.985 -0.595 58 2HB CYS 9 HB2 CYS 9 -3.197 1.765 -2.334 59 H THR 10 HN THR 10 -5.215 0.201 -3.760 60 HA THR 10 HA THR 10 -4.332 -2.552 -4.373 61 HB THR 10 HB THR 10 -5.829 -0.552 -6.103 62 HG1 THR 10 HG1 THR 10 -7.313 -0.987 -4.674 63 1HG2 THR 10 HG21 THR 10 -4.707 -2.379 -7.349 64 2HG2 THR 10 HG22 THR 10 -6.463 -2.526 -7.413 65 3HG2 THR 10 HG23 THR 10 -5.530 -3.561 -6.330 66 HA PRO 11 HA PRO 11 -0.648 -1.086 -6.346 67 2HB PRO 11 HB1 PRO 11 0.279 -3.152 -5.908 68 1HB PRO 11 HB2 PRO 11 -0.009 -3.440 -7.633 69 1HG PRO 11 HG1 PRO 11 -1.097 -4.987 -5.612 70 2HG PRO 11 HG2 PRO 11 -1.841 -4.804 -7.209 71 1HD PRO 11 HD2 PRO 11 -3.634 -3.872 -6.108 72 2HD PRO 11 HD1 PRO 11 -2.708 -3.701 -4.601 73 H GLY 12 HN GLY 12 -0.465 0.077 -8.203 74 2HA GLY 12 HA1 GLY 12 -1.487 -0.907 -10.768 75 1HA GLY 12 HA2 GLY 12 -0.667 0.633 -10.497 76 H LYS 13 HN LYS 13 -2.750 0.859 -8.117 77 HA LYS 13 HA LYS 13 -4.905 2.057 -9.791 78 2HB LYS 13 HB1 LYS 13 -6.092 1.249 -7.372 79 1HB LYS 13 HB2 LYS 13 -5.121 -0.124 -7.900 80 2HG LYS 13 HG1 LYS 13 -7.145 -0.501 -9.005 81 1HG LYS 13 HG2 LYS 13 -6.208 0.347 -10.236 82 2HD LYS 13 HD1 LYS 13 -7.252 2.505 -9.281 83 1HD LYS 13 HD2 LYS 13 -8.390 1.442 -8.453 84 2HE LYS 13 HE1 LYS 13 -8.746 0.376 -10.803 85 1HE LYS 13 HE2 LYS 13 -8.001 1.852 -11.415 86 1HZ LYS 13 HZ1 LYS 13 -10.433 1.652 -9.726 87 2HZ LYS 13 HZ2 LYS 13 -10.351 2.155 -11.347 88 3HZ LYS 13 HZ3 LYS 13 -9.669 3.114 -10.121 89 H ASN 14 HN ASN 14 -3.949 1.803 -6.398 90 HA ASN 14 HA ASN 14 -4.360 4.743 -6.100 91 2HB ASN 14 HB1 ASN 14 -4.411 4.240 -3.647 92 1HB ASN 14 HB2 ASN 14 -4.234 2.527 -4.030 93 1HD2 ASN 14 HD21 ASN 14 -6.053 1.483 -5.221 94 2HD2 ASN 14 HD22 ASN 14 -7.602 2.176 -5.184 95 H GLU 15 HN GLU 15 -2.598 6.027 -5.777 96 HA GLU 15 HA GLU 15 0.071 4.819 -5.748 97 2HB GLU 15 HB1 GLU 15 0.791 7.271 -5.612 98 1HB GLU 15 HB2 GLU 15 -0.922 7.679 -5.719 99 2HG GLU 15 HG1 GLU 15 0.002 7.742 -7.958 100 1HG GLU 15 HG2 GLU 15 -1.031 6.318 -7.841 101 H CYS 16 HN CYS 16 1.216 4.355 -3.948 102 HA CYS 16 HA CYS 16 0.173 5.267 -1.319 103 2HB CYS 16 HB1 CYS 16 2.461 3.492 -1.173 104 1HB CYS 16 HB2 CYS 16 1.235 2.831 -2.255 105 H CYS 17 HN CYS 17 2.416 5.225 0.250 106 HA CYS 17 HA CYS 17 3.638 7.772 -0.261 107 2HB CYS 17 HB1 CYS 17 5.156 7.119 1.636 108 1HB CYS 17 HB2 CYS 17 4.419 5.520 1.614 109 HA PRO 18 HA PRO 18 7.138 6.720 -2.718 110 2HB PRO 18 HB1 PRO 18 7.731 8.946 -2.706 111 1HB PRO 18 HB2 PRO 18 9.053 8.393 -1.663 112 1HG PRO 18 HG1 PRO 18 7.172 10.276 -0.899 113 2HG PRO 18 HG2 PRO 18 8.045 9.245 0.248 114 1HD PRO 18 HD2 PRO 18 5.992 8.395 0.834 115 2HD PRO 18 HD1 PRO 18 5.204 9.141 -0.572 116 H ASN 19 HN ASN 19 7.562 6.613 0.794 117 HA ASN 19 HA ASN 19 9.955 4.903 0.575 118 2HB ASN 19 HB1 ASN 19 9.846 4.945 3.092 119 1HB ASN 19 HB2 ASN 19 8.424 5.979 2.957 120 1HD2 ASN 19 HD21 ASN 19 11.800 6.066 3.245 121 2HD2 ASN 19 HD22 ASN 19 12.060 7.648 2.689 122 H ARG 20 HN ARG 20 6.550 4.558 0.831 123 HA ARG 20 HA ARG 20 6.828 1.702 1.672 124 2HB ARG 20 HB1 ARG 20 4.206 2.044 1.875 125 1HB ARG 20 HB2 ARG 20 4.656 3.745 1.985 126 2HG ARG 20 HG1 ARG 20 6.354 2.983 3.776 127 1HG ARG 20 HG2 ARG 20 5.445 1.473 3.810 128 2HD ARG 20 HD1 ARG 20 3.904 2.431 5.139 129 1HD ARG 20 HD2 ARG 20 3.573 3.633 3.893 130 HE ARG 20 HE ARG 20 5.357 3.995 6.215 131 1HH1 ARG 20 HH11 ARG 20 6.627 5.073 3.674 132 2HH1 ARG 20 HH12 ARG 20 6.066 6.711 3.678 133 1HH2 ARG 20 HH21 ARG 20 3.566 6.126 6.022 134 2HH2 ARG 20 HH22 ARG 20 4.327 7.309 5.012 135 H VAL 21 HN VAL 21 4.950 0.327 0.609 136 HA VAL 21 HA VAL 21 4.433 1.150 -2.200 137 HB VAL 21 HB VAL 21 5.218 -1.041 -3.054 138 1HG1 VAL 21 HG11 VAL 21 7.608 -0.579 -2.912 139 2HG1 VAL 21 HG12 VAL 21 7.361 0.411 -1.473 140 3HG1 VAL 21 HG13 VAL 21 6.730 0.946 -3.030 141 1HG2 VAL 21 HG21 VAL 21 6.541 -2.515 -1.610 142 2HG2 VAL 21 HG22 VAL 21 4.938 -2.292 -0.915 143 3HG2 VAL 21 HG23 VAL 21 6.317 -1.420 -0.247 144 H CYS 22 HN CYS 22 2.691 -0.055 -3.189 145 HA CYS 22 HA CYS 22 0.712 -1.022 -1.241 146 2HB CYS 22 HB1 CYS 22 -0.639 -1.385 -3.431 147 1HB CYS 22 HB2 CYS 22 0.686 -0.533 -4.223 148 H SER 23 HN SER 23 1.282 -3.031 -0.469 149 HA SER 23 HA SER 23 2.541 -5.081 -2.061 150 2HB SER 23 HB1 SER 23 0.983 -5.405 0.518 151 1HB SER 23 HB2 SER 23 2.674 -4.923 0.437 152 HG SER 23 HG SER 23 3.248 -6.867 -0.275 153 H ASP 24 HN ASP 24 1.639 -6.973 -2.950 154 HA ASP 24 HA ASP 24 -1.215 -6.757 -3.704 155 2HB ASP 24 HB1 ASP 24 0.649 -8.959 -4.582 156 1HB ASP 24 HB2 ASP 24 0.769 -7.350 -5.296 157 H LYS 25 HN LYS 25 0.988 -9.127 -2.168 158 HA LYS 25 HA LYS 25 -1.128 -10.988 -1.491 159 2HB LYS 25 HB1 LYS 25 0.715 -11.816 0.166 160 1HB LYS 25 HB2 LYS 25 1.750 -10.655 -0.663 161 2HG LYS 25 HG1 LYS 25 2.117 -12.351 -2.135 162 1HG LYS 25 HG2 LYS 25 0.530 -11.926 -2.775 163 2HD LYS 25 HD1 LYS 25 -0.542 -13.661 -1.586 164 1HD LYS 25 HD2 LYS 25 0.804 -13.843 -0.461 165 2HE LYS 25 HE1 LYS 25 2.208 -14.757 -2.244 166 1HE LYS 25 HE2 LYS 25 0.925 -14.490 -3.424 167 1HZ LYS 25 HZ1 LYS 25 0.699 -16.252 -1.043 168 2HZ LYS 25 HZ2 LYS 25 1.012 -16.791 -2.623 169 3HZ LYS 25 HZ3 LYS 25 -0.469 -16.044 -2.255 170 H HIS 26 HN HIS 26 0.370 -8.231 0.131 171 HA HIS 26 HA HIS 26 -1.100 -8.754 2.641 172 2HB HIS 26 HB1 HIS 26 0.014 -6.604 3.354 173 1HB HIS 26 HB2 HIS 26 0.794 -6.553 1.780 174 HD1 HIS 26 HD1 HIS 26 3.145 -7.323 2.070 175 HD2 HIS 26 HD2 HIS 26 0.497 -9.606 4.341 176 HE1 HIS 26 HE1 HIS 26 4.526 -9.137 3.171 177 H LYS 27 HN LYS 27 -1.280 -6.685 -0.200 178 HA LYS 27 HA LYS 27 -2.985 -5.311 -0.995 179 2HB LYS 27 HB1 LYS 27 -5.248 -5.524 0.084 180 1HB LYS 27 HB2 LYS 27 -4.528 -6.615 1.265 181 1HG LYS 27 HG1 LYS 27 -3.845 -7.326 -1.495 182 2HG LYS 27 HG2 LYS 27 -5.583 -7.355 -1.197 183 2HD LYS 27 HD1 LYS 27 -5.234 -8.820 0.751 184 1HD LYS 27 HD2 LYS 27 -3.491 -8.765 0.492 185 2HE LYS 27 HE1 LYS 27 -3.891 -10.680 -0.694 186 1HE LYS 27 HE2 LYS 27 -4.312 -9.544 -1.975 187 1HZ LYS 27 HZ1 LYS 27 -6.055 -11.158 -1.711 188 2HZ LYS 27 HZ2 LYS 27 -6.626 -9.639 -1.207 189 3HZ LYS 27 HZ3 LYS 27 -6.191 -10.812 -0.056 190 H TRP 28 HN TRP 28 -1.107 -4.465 1.311 191 HA TRP 28 HA TRP 28 -2.580 -1.953 1.863 192 1HB TRP 28 HB1 TRP 28 -2.968 -3.367 3.852 193 2HB TRP 28 HB2 TRP 28 -1.997 -1.954 4.239 194 HD1 TRP 28 HD1 TRP 28 0.861 -2.642 3.818 195 HE1 TRP 28 HE1 TRP 28 2.044 -4.612 4.977 196 HE3 TRP 28 HE3 TRP 28 -3.185 -5.521 5.010 197 HZ2 TRP 28 HZ2 TRP 28 1.368 -7.082 6.248 198 HZ3 TRP 28 HZ3 TRP 28 -2.885 -7.675 6.198 199 HH2 TRP 28 HH2 TRP 28 -0.616 -8.458 6.818 200 H CYS 29 HN CYS 29 -1.008 -0.318 2.934 201 HA CYS 29 HA CYS 29 1.358 -0.149 1.244 202 2HB CYS 29 HB1 CYS 29 1.126 1.703 3.544 203 1HB CYS 29 HB2 CYS 29 -0.244 1.716 2.433 204 H LYS 30 HN LYS 30 3.294 -1.032 1.743 205 HA LYS 30 HA LYS 30 3.956 -1.467 4.630 206 2HB LYS 30 HB1 LYS 30 3.487 -3.628 3.635 207 1HB LYS 30 HB2 LYS 30 5.228 -3.497 3.878 208 2HG LYS 30 HG1 LYS 30 4.741 -2.409 1.322 209 1HG LYS 30 HG2 LYS 30 3.749 -3.864 1.411 210 2HD LYS 30 HD1 LYS 30 6.039 -4.797 2.515 211 1HD LYS 30 HD2 LYS 30 6.705 -3.574 1.433 212 2HE LYS 30 HE1 LYS 30 5.306 -4.586 -0.418 213 1HE LYS 30 HE2 LYS 30 4.903 -5.896 0.691 214 1HZ LYS 30 HZ1 LYS 30 7.678 -5.122 -0.024 215 2HZ LYS 30 HZ2 LYS 30 6.815 -6.374 -0.781 216 3HZ LYS 30 HZ3 LYS 30 7.194 -6.479 0.872 217 H TRP 31 HN TRP 31 6.211 -1.275 5.165 218 HA TRP 31 HA TRP 31 7.591 0.859 3.886 219 2HB TRP 31 HB1 TRP 31 9.597 -0.106 5.233 220 1HB TRP 31 HB2 TRP 31 8.419 -1.254 5.870 221 HD1 TRP 31 HD1 TRP 31 7.118 -0.473 7.906 222 HE1 TRP 31 HE1 TRP 31 6.623 1.798 9.020 223 HE3 TRP 31 HE3 TRP 31 9.259 2.659 4.494 224 HZ2 TRP 31 HZ2 TRP 31 7.077 4.580 8.528 225 HZ3 TRP 31 HZ3 TRP 31 9.216 5.116 4.843 226 HH2 TRP 31 HH2 TRP 31 8.128 6.078 6.850 227 H LYS 32 HN LYS 32 9.275 0.891 2.396 228 HA LYS 32 HA LYS 32 10.656 -1.460 1.483 229 2HB LYS 32 HB1 LYS 32 9.423 -0.685 -0.939 230 1HB LYS 32 HB2 LYS 32 8.118 -0.871 0.237 231 2HG LYS 32 HG1 LYS 32 8.558 -3.110 0.564 232 1HG LYS 32 HG2 LYS 32 10.275 -2.932 0.205 233 1HD LYS 32 HD1 LYS 32 8.326 -2.425 -2.009 234 2HD LYS 32 HD2 LYS 32 8.602 -4.099 -1.528 235 2HE LYS 32 HE1 LYS 32 10.639 -4.125 -2.507 236 1HE LYS 32 HE2 LYS 32 11.101 -2.607 -1.738 237 1HZ LYS 32 HZ1 LYS 32 9.857 -1.412 -3.429 238 2HZ LYS 32 HZ2 LYS 32 9.417 -2.876 -4.171 239 3HZ LYS 32 HZ3 LYS 32 11.045 -2.391 -4.140 240 H LEU 33 HN LEU 33 12.437 -0.152 1.795 241 HA LEU 33 HA LEU 33 12.678 2.308 0.129 242 2HB LEU 33 HB1 LEU 33 14.989 2.099 1.675 243 1HB LEU 33 HB2 LEU 33 13.726 1.470 2.729 244 HG LEU 33 HG LEU 33 13.962 3.903 3.013 245 1HD1 LEU 33 HD11 LEU 33 14.798 4.301 0.666 246 2HD1 LEU 33 HD12 LEU 33 13.566 5.445 1.197 247 3HD1 LEU 33 HD13 LEU 33 13.135 4.128 0.105 248 1HD2 LEU 33 HD21 LEU 33 11.444 4.150 1.681 249 2HD2 LEU 33 HD22 LEU 33 11.744 3.895 3.399 250 3HD2 LEU 33 HD23 LEU 33 11.555 2.512 2.324 No H/Q in entry = 250 Start of MODEL 8 1 HA ALA 1 HA ALA 1 -2.273 9.924 -9.205 2 1HB ALA 1 HB1 ALA 1 -0.406 8.616 -10.116 3 2HB ALA 1 HB2 ALA 1 0.696 9.348 -8.950 4 3HB ALA 1 HB3 ALA 1 -0.039 10.338 -10.211 5 H1 ALA 1 HT1 ALA 1 -1.100 11.874 -8.531 6 H2 ALA 1 HT2 ALA 1 -0.191 11.009 -7.385 7 H3 ALA 1 HT3 ALA 1 -1.862 11.225 -7.162 8 H CYS 2 HN CYS 2 0.246 8.921 -6.839 9 HA CYS 2 HA CYS 2 -1.330 6.499 -6.206 10 1HB CYS 2 HB1 CYS 2 1.214 6.525 -6.487 11 2HB CYS 2 HB2 CYS 2 0.604 5.735 -5.034 12 H LYS 3 HN LYS 3 -1.428 5.953 -3.749 13 HA LYS 3 HA LYS 3 -2.777 8.204 -2.403 14 2HB LYS 3 HB1 LYS 3 -3.343 6.493 -0.682 15 1HB LYS 3 HB2 LYS 3 -2.373 5.315 -1.567 16 2HG LYS 3 HG1 LYS 3 -3.827 5.517 -3.514 17 1HG LYS 3 HG2 LYS 3 -4.732 6.821 -2.745 18 2HD LYS 3 HD1 LYS 3 -4.721 4.638 -0.924 19 1HD LYS 3 HD2 LYS 3 -5.124 3.979 -2.510 20 2HE LYS 3 HE1 LYS 3 -6.668 6.193 -2.552 21 1HE LYS 3 HE2 LYS 3 -6.630 5.909 -0.813 22 1HZ LYS 3 HZ1 LYS 3 -8.468 4.733 -1.785 23 2HZ LYS 3 HZ2 LYS 3 -7.318 3.605 -1.244 24 3HZ LYS 3 HZ3 LYS 3 -7.450 3.962 -2.901 25 H GLY 4 HN GLY 4 -2.313 8.152 0.153 26 2HA GLY 4 HA1 GLY 4 -0.749 9.082 1.674 27 1HA GLY 4 HA2 GLY 4 0.501 8.930 0.440 28 H VAL 5 HN VAL 5 0.858 8.179 3.159 29 HA VAL 5 HA VAL 5 1.565 5.329 2.794 30 HB VAL 5 HB VAL 5 2.205 6.766 5.333 31 1HG1 VAL 5 HG11 VAL 5 3.573 4.802 3.487 32 2HG1 VAL 5 HG12 VAL 5 3.026 4.540 5.143 33 3HG1 VAL 5 HG13 VAL 5 4.417 5.577 4.829 34 1HG2 VAL 5 HG21 VAL 5 3.201 7.546 2.609 35 2HG2 VAL 5 HG22 VAL 5 4.330 7.575 3.963 36 3HG2 VAL 5 HG23 VAL 5 2.872 8.566 4.009 37 H PHE 6 HN PHE 6 1.040 3.749 4.441 38 HA PHE 6 HA PHE 6 -0.484 2.593 5.780 39 2HB PHE 6 HB1 PHE 6 -1.600 4.729 7.324 40 1HB PHE 6 HB2 PHE 6 0.111 5.071 7.068 41 HD1 PHE 6 HD1 PHE 6 -2.320 2.650 8.449 42 HD2 PHE 6 HD2 PHE 6 1.837 3.625 7.970 43 HE1 PHE 6 HE1 PHE 6 -1.721 0.927 10.129 44 HE2 PHE 6 HE2 PHE 6 2.435 1.903 9.650 45 HZ PHE 6 HZ PHE 6 0.656 0.554 10.730 46 H ASP 7 HN ASP 7 -1.467 3.716 3.233 47 HA ASP 7 HA ASP 7 -4.329 4.251 3.896 48 2HB ASP 7 HB1 ASP 7 -3.195 4.444 1.117 49 1HB ASP 7 HB2 ASP 7 -2.859 5.729 2.276 50 H ALA 8 HN ALA 8 -5.766 2.607 3.584 51 HA ALA 8 HA ALA 8 -5.007 -0.020 2.853 52 1HB ALA 8 HB1 ALA 8 -7.076 0.458 4.086 53 2HB ALA 8 HB2 ALA 8 -7.432 -0.472 2.631 54 3HB ALA 8 HB3 ALA 8 -7.749 1.262 2.667 55 H CYS 9 HN CYS 9 -4.306 -0.718 0.911 56 HA CYS 9 HA CYS 9 -5.621 0.340 -1.556 57 2HB CYS 9 HB1 CYS 9 -3.447 1.445 -1.338 58 1HB CYS 9 HB2 CYS 9 -3.400 0.297 -2.676 59 H THR 10 HN THR 10 -5.371 -1.147 -3.434 60 HA THR 10 HA THR 10 -5.610 -3.957 -2.555 61 HB THR 10 HB THR 10 -6.018 -2.715 -5.296 62 HG1 THR 10 HG1 THR 10 -7.718 -1.984 -4.300 63 1HG2 THR 10 HG21 THR 10 -5.561 -5.112 -5.430 64 2HG2 THR 10 HG22 THR 10 -7.272 -4.820 -5.743 65 3HG2 THR 10 HG23 THR 10 -6.754 -5.433 -4.172 66 HA PRO 11 HA PRO 11 -1.430 -4.754 -3.845 67 2HB PRO 11 HB1 PRO 11 -1.295 -6.227 -2.072 68 1HB PRO 11 HB2 PRO 11 -1.504 -7.457 -3.330 69 1HG PRO 11 HG1 PRO 11 -3.229 -7.130 -1.184 70 2HG PRO 11 HG2 PRO 11 -3.711 -7.850 -2.729 71 1HD PRO 11 HD2 PRO 11 -5.183 -6.096 -2.944 72 2HD PRO 11 HD1 PRO 11 -4.435 -5.223 -1.590 73 H GLY 12 HN GLY 12 -0.685 -5.139 -5.890 74 2HA GLY 12 HA1 GLY 12 -1.881 -7.240 -7.574 75 1HA GLY 12 HA2 GLY 12 -0.472 -6.261 -7.982 76 H LYS 13 HN LYS 13 -2.847 -4.185 -6.840 77 HA LYS 13 HA LYS 13 -4.042 -3.773 -9.537 78 2HB LYS 13 HB1 LYS 13 -4.978 -2.980 -6.776 79 1HB LYS 13 HB2 LYS 13 -5.738 -4.139 -7.864 80 2HG LYS 13 HG1 LYS 13 -5.560 -1.810 -9.387 81 1HG LYS 13 HG2 LYS 13 -5.992 -1.231 -7.778 82 2HD LYS 13 HD1 LYS 13 -7.772 -3.093 -7.785 83 1HD LYS 13 HD2 LYS 13 -7.465 -3.211 -9.518 84 1HE LYS 13 HE1 LYS 13 -8.035 -0.537 -8.249 85 2HE LYS 13 HE2 LYS 13 -9.361 -1.616 -8.682 86 1HZ LYS 13 HZ1 LYS 13 -7.275 -0.528 -10.493 87 2HZ LYS 13 HZ2 LYS 13 -8.938 -0.178 -10.513 88 3HZ LYS 13 HZ3 LYS 13 -8.389 -1.726 -10.946 89 H ASN 14 HN ASN 14 -3.130 -1.831 -6.729 90 HA ASN 14 HA ASN 14 -2.118 0.287 -8.587 91 1HB ASN 14 HB1 ASN 14 -2.556 1.890 -6.782 92 2HB ASN 14 HB2 ASN 14 -3.061 0.579 -5.716 93 1HD2 ASN 14 HD21 ASN 14 -3.856 1.544 -9.122 94 2HD2 ASN 14 HD22 ASN 14 -5.535 1.416 -8.911 95 H GLU 15 HN GLU 15 -1.484 -1.393 -5.508 96 HA GLU 15 HA GLU 15 0.500 -1.821 -4.363 97 2HB GLU 15 HB1 GLU 15 2.630 -1.728 -5.747 98 1HB GLU 15 HB2 GLU 15 1.631 -1.212 -7.105 99 1HG GLU 15 HG1 GLU 15 0.412 -3.495 -5.837 100 2HG GLU 15 HG2 GLU 15 2.097 -3.865 -6.197 101 H CYS 16 HN CYS 16 -0.672 0.982 -4.616 102 HA CYS 16 HA CYS 16 -0.174 3.130 -3.849 103 2HB CYS 16 HB1 CYS 16 2.375 2.375 -2.580 104 1HB CYS 16 HB2 CYS 16 1.014 1.348 -2.126 105 H CYS 17 HN CYS 17 2.349 4.369 -3.409 106 HA CYS 17 HA CYS 17 3.051 5.182 -6.078 107 2HB CYS 17 HB1 CYS 17 5.146 5.922 -4.332 108 1HB CYS 17 HB2 CYS 17 3.680 5.945 -3.353 109 HA PRO 18 HA PRO 18 6.415 2.532 -7.121 110 2HB PRO 18 HB1 PRO 18 7.006 3.922 -8.855 111 1HB PRO 18 HB2 PRO 18 8.431 4.258 -7.857 112 1HG PRO 18 HG1 PRO 18 6.651 6.203 -8.678 113 2HG PRO 18 HG2 PRO 18 7.619 6.334 -7.200 114 1HD PRO 18 HD2 PRO 18 5.609 6.409 -6.082 115 2HD PRO 18 HD1 PRO 18 4.710 5.833 -7.501 116 H ASN 19 HN ASN 19 7.187 5.041 -4.756 117 HA ASN 19 HA ASN 19 9.583 3.598 -3.818 118 2HB ASN 19 HB1 ASN 19 9.783 5.457 -2.196 119 1HB ASN 19 HB2 ASN 19 8.242 6.104 -2.761 120 1HD2 ASN 19 HD21 ASN 19 8.182 7.020 -4.967 121 2HD2 ASN 19 HD22 ASN 19 9.616 7.443 -5.771 122 H ARG 20 HN ARG 20 6.223 3.653 -3.188 123 HA ARG 20 HA ARG 20 6.613 2.359 -0.522 124 2HB ARG 20 HB1 ARG 20 4.033 2.782 -0.429 125 1HB ARG 20 HB2 ARG 20 4.342 3.918 -1.743 126 2HG ARG 20 HG1 ARG 20 6.052 5.041 -0.319 127 1HG ARG 20 HG2 ARG 20 5.644 3.942 0.999 128 2HD ARG 20 HD1 ARG 20 3.685 5.022 1.457 129 1HD ARG 20 HD2 ARG 20 3.342 5.331 -0.246 130 HE ARG 20 HE ARG 20 4.992 7.046 1.524 131 1HH1 ARG 20 HH11 ARG 20 6.106 6.881 -1.288 132 2HH1 ARG 20 HH12 ARG 20 5.299 8.204 -2.060 133 1HH2 ARG 20 HH21 ARG 20 2.878 8.521 0.415 134 2HH2 ARG 20 HH22 ARG 20 3.466 9.135 -1.094 135 H VAL 21 HN VAL 21 4.722 0.674 -0.131 136 HA VAL 21 HA VAL 21 4.083 -0.845 -2.602 137 HB VAL 21 HB VAL 21 4.818 -2.976 -1.367 138 1HG1 VAL 21 HG11 VAL 21 7.030 -1.051 -2.126 139 2HG1 VAL 21 HG12 VAL 21 6.009 -1.873 -3.305 140 3HG1 VAL 21 HG13 VAL 21 7.056 -2.810 -2.241 141 1HG2 VAL 21 HG21 VAL 21 6.521 -2.724 0.345 142 2HG2 VAL 21 HG22 VAL 21 5.099 -1.811 0.849 143 3HG2 VAL 21 HG23 VAL 21 6.495 -0.969 0.175 144 H CYS 22 HN CYS 22 2.342 -2.363 -2.316 145 HA CYS 22 HA CYS 22 0.516 -1.608 -0.111 146 2HB CYS 22 HB1 CYS 22 -1.031 -3.236 -1.445 147 1HB CYS 22 HB2 CYS 22 0.200 -3.115 -2.702 148 H SER 23 HN SER 23 0.508 -2.791 1.724 149 HA SER 23 HA SER 23 1.891 -5.345 1.910 150 2HB SER 23 HB1 SER 23 0.028 -4.546 4.079 151 1HB SER 23 HB2 SER 23 1.318 -3.404 3.719 152 HG SER 23 HG SER 23 1.460 -5.794 4.961 153 H ASP 24 HN ASP 24 0.971 -7.404 2.155 154 HA ASP 24 HA ASP 24 -1.826 -7.662 1.201 155 1HB ASP 24 HB1 ASP 24 -0.055 -9.031 0.118 156 2HB ASP 24 HB2 ASP 24 -1.291 -10.034 0.873 157 H LYS 25 HN LYS 25 0.183 -8.388 4.031 158 HA LYS 25 HA LYS 25 -1.978 -9.765 5.451 159 2HB LYS 25 HB1 LYS 25 0.524 -8.610 6.696 160 1HB LYS 25 HB2 LYS 25 0.557 -10.118 5.780 161 2HG LYS 25 HG1 LYS 25 -0.828 -11.227 7.325 162 1HG LYS 25 HG2 LYS 25 -1.451 -9.717 7.993 163 2HD LYS 25 HD1 LYS 25 1.011 -9.284 8.713 164 1HD LYS 25 HD2 LYS 25 1.238 -11.012 8.436 165 2HE LYS 25 HE1 LYS 25 -0.297 -11.602 10.126 166 1HE LYS 25 HE2 LYS 25 -1.043 -10.004 10.133 167 1HZ LYS 25 HZ1 LYS 25 1.744 -10.571 10.990 168 2HZ LYS 25 HZ2 LYS 25 0.427 -10.384 12.047 169 3HZ LYS 25 HZ3 LYS 25 0.941 -9.080 11.087 170 H HIS 26 HN HIS 26 -0.525 -6.530 5.419 171 HA HIS 26 HA HIS 26 -2.349 -5.582 7.542 172 2HB HIS 26 HB1 HIS 26 -1.166 -3.413 7.193 173 1HB HIS 26 HB2 HIS 26 -0.226 -4.161 5.905 174 HD1 HIS 26 HD1 HIS 26 -1.105 -5.201 9.483 175 HD2 HIS 26 HD2 HIS 26 2.192 -4.955 6.945 176 HE1 HIS 26 HE1 HIS 26 0.881 -6.050 10.805 177 H LYS 27 HN LYS 27 -1.988 -5.460 4.049 178 HA LYS 27 HA LYS 27 -3.458 -4.787 2.375 179 1HB LYS 27 HB1 LYS 27 -5.822 -4.585 2.900 180 2HB LYS 27 HB2 LYS 27 -5.465 -4.420 4.618 181 2HG LYS 27 HG1 LYS 27 -5.168 -6.660 4.886 182 1HG LYS 27 HG2 LYS 27 -4.278 -6.813 3.371 183 2HD LYS 27 HD1 LYS 27 -6.595 -6.447 2.240 184 1HD LYS 27 HD2 LYS 27 -7.259 -6.853 3.822 185 2HE LYS 27 HE1 LYS 27 -7.156 -8.954 2.801 186 1HE LYS 27 HE2 LYS 27 -5.620 -8.907 3.666 187 1HZ LYS 27 HZ1 LYS 27 -5.346 -9.627 1.368 188 2HZ LYS 27 HZ2 LYS 27 -4.531 -8.164 1.652 189 3HZ LYS 27 HZ3 LYS 27 -6.010 -8.168 0.815 190 H TRP 28 HN TRP 28 -1.701 -2.815 3.581 191 HA TRP 28 HA TRP 28 -3.196 -0.413 2.737 192 1HB TRP 28 HB1 TRP 28 -3.517 -0.479 5.189 193 2HB TRP 28 HB2 TRP 28 -2.572 0.915 4.687 194 HD1 TRP 28 HD1 TRP 28 0.306 -0.188 4.519 195 HE1 TRP 28 HE1 TRP 28 1.543 -1.014 6.617 196 HE3 TRP 28 HE3 TRP 28 -3.677 -1.157 7.563 197 HZ2 TRP 28 HZ2 TRP 28 0.931 -1.959 9.243 198 HZ3 TRP 28 HZ3 TRP 28 -3.319 -2.018 9.859 199 HH2 TRP 28 HH2 TRP 28 -1.022 -2.419 10.702 200 H CYS 29 HN CYS 29 -1.540 1.559 2.831 201 HA CYS 29 HA CYS 29 0.722 0.759 1.163 202 2HB CYS 29 HB1 CYS 29 0.228 3.522 2.282 203 1HB CYS 29 HB2 CYS 29 -0.701 2.893 0.921 204 H LYS 30 HN LYS 30 2.862 0.626 1.789 205 HA LYS 30 HA LYS 30 3.657 1.679 4.446 206 2HB LYS 30 HB1 LYS 30 2.965 -0.581 4.985 207 1HB LYS 30 HB2 LYS 30 4.726 -0.516 5.029 208 2HG LYS 30 HG1 LYS 30 3.941 -1.138 2.351 209 1HG LYS 30 HG2 LYS 30 3.053 -2.208 3.435 210 2HD LYS 30 HD1 LYS 30 5.379 -2.509 4.609 211 1HD LYS 30 HD2 LYS 30 6.027 -1.909 3.082 212 2HE LYS 30 HE1 LYS 30 4.545 -3.691 1.957 213 1HE LYS 30 HE2 LYS 30 4.365 -4.387 3.566 214 1HZ LYS 30 HZ1 LYS 30 6.798 -4.499 3.716 215 2HZ LYS 30 HZ2 LYS 30 6.919 -3.925 2.121 216 3HZ LYS 30 HZ3 LYS 30 6.191 -5.428 2.434 217 H TRP 31 HN TRP 31 5.973 1.838 4.698 218 HA TRP 31 HA TRP 31 7.362 2.444 2.218 219 2HB TRP 31 HB1 TRP 31 9.322 2.744 3.935 220 1HB TRP 31 HB2 TRP 31 8.052 2.566 5.146 221 HD1 TRP 31 HD1 TRP 31 6.984 4.761 5.832 222 HE1 TRP 31 HE1 TRP 31 6.615 7.066 4.736 223 HE3 TRP 31 HE3 TRP 31 8.983 3.873 1.221 224 HZ2 TRP 31 HZ2 TRP 31 7.108 8.362 2.232 225 HZ3 TRP 31 HZ3 TRP 31 9.022 5.657 -0.498 226 HH2 TRP 31 HH2 TRP 31 8.087 7.898 -0.001 227 H LYS 32 HN LYS 32 9.468 1.477 1.650 228 HA LYS 32 HA LYS 32 9.412 -1.452 2.018 229 1HB LYS 32 HB1 LYS 32 10.877 -1.578 0.144 230 2HB LYS 32 HB2 LYS 32 11.357 0.111 0.317 231 2HG LYS 32 HG1 LYS 32 9.189 0.879 -0.384 232 1HG LYS 32 HG2 LYS 32 8.514 -0.747 -0.284 233 2HD LYS 32 HD1 LYS 32 8.914 -0.456 -2.593 234 1HD LYS 32 HD2 LYS 32 10.320 -1.371 -2.047 235 2HE LYS 32 HE1 LYS 32 11.745 0.367 -2.429 236 1HE LYS 32 HE2 LYS 32 10.600 1.563 -1.824 237 1HZ LYS 32 HZ1 LYS 32 9.347 1.293 -3.915 238 2HZ LYS 32 HZ2 LYS 32 10.569 0.264 -4.494 239 3HZ LYS 32 HZ3 LYS 32 10.914 1.893 -4.158 240 H LEU 33 HN LEU 33 11.231 1.301 3.057 241 HA LEU 33 HA LEU 33 13.342 -0.458 4.214 242 2HB LEU 33 HB1 LEU 33 13.760 2.390 4.624 243 1HB LEU 33 HB2 LEU 33 13.484 2.032 2.920 244 HG LEU 33 HG LEU 33 15.186 0.119 3.234 245 1HD1 LEU 33 HD11 LEU 33 15.631 2.263 2.029 246 2HD1 LEU 33 HD12 LEU 33 17.063 1.623 2.834 247 3HD1 LEU 33 HD13 LEU 33 16.177 2.968 3.551 248 1HD2 LEU 33 HD21 LEU 33 16.830 0.573 5.080 249 2HD2 LEU 33 HD22 LEU 33 15.242 0.077 5.667 250 3HD2 LEU 33 HD23 LEU 33 15.712 1.776 5.722 No H/Q in entry = 250 Start of MODEL 9 1 HA ALA 1 HA ALA 1 -4.466 12.091 4.138 2 1HB ALA 1 HB1 ALA 1 -7.442 11.713 4.141 3 2HB ALA 1 HB2 ALA 1 -6.775 13.226 4.753 4 3HB ALA 1 HB3 ALA 1 -6.313 11.695 5.495 5 H1 ALA 1 HT1 ALA 1 -4.600 13.151 1.997 6 H2 ALA 1 HT2 ALA 1 -5.420 14.099 3.143 7 H3 ALA 1 HT3 ALA 1 -6.295 13.141 2.046 8 H CYS 2 HN CYS 2 -3.802 10.068 3.636 9 HA CYS 2 HA CYS 2 -5.296 8.559 1.533 10 2HB CYS 2 HB1 CYS 2 -2.942 9.020 0.998 11 1HB CYS 2 HB2 CYS 2 -3.188 7.290 1.230 12 H LYS 3 HN LYS 3 -4.619 6.002 1.952 13 HA LYS 3 HA LYS 3 -6.167 5.238 4.276 14 2HB LYS 3 HB1 LYS 3 -5.365 2.898 3.616 15 1HB LYS 3 HB2 LYS 3 -4.520 3.677 2.278 16 2HG LYS 3 HG1 LYS 3 -6.745 4.731 1.637 17 1HG LYS 3 HG2 LYS 3 -7.502 3.673 2.828 18 2HD LYS 3 HD1 LYS 3 -6.457 1.714 1.631 19 1HD LYS 3 HD2 LYS 3 -5.921 2.834 0.378 20 2HE LYS 3 HE1 LYS 3 -8.384 3.554 0.205 21 1HE LYS 3 HE2 LYS 3 -8.755 2.120 1.161 22 1HZ LYS 3 HZ1 LYS 3 -7.481 2.249 -1.509 23 2HZ LYS 3 HZ2 LYS 3 -8.929 1.476 -1.075 24 3HZ LYS 3 HZ3 LYS 3 -7.439 0.850 -0.551 25 H GLY 4 HN GLY 4 -5.363 3.804 6.011 26 2HA GLY 4 HA1 GLY 4 -3.938 3.524 7.864 27 1HA GLY 4 HA2 GLY 4 -2.936 4.828 7.225 28 H VAL 5 HN VAL 5 -0.955 3.732 7.515 29 HA VAL 5 HA VAL 5 0.144 2.246 5.463 30 HB VAL 5 HB VAL 5 1.876 1.583 7.092 31 1HG1 VAL 5 HG11 VAL 5 2.696 3.740 7.428 32 2HG1 VAL 5 HG12 VAL 5 1.097 4.391 7.786 33 3HG1 VAL 5 HG13 VAL 5 1.531 3.983 6.127 34 1HG2 VAL 5 HG21 VAL 5 0.017 2.812 9.140 35 2HG2 VAL 5 HG22 VAL 5 1.646 2.215 9.454 36 3HG2 VAL 5 HG23 VAL 5 0.369 1.090 8.995 37 H PHE 6 HN PHE 6 0.631 0.017 5.168 38 HA PHE 6 HA PHE 6 0.194 -2.273 5.156 39 2HB PHE 6 HB1 PHE 6 -0.852 -3.103 7.467 40 1HB PHE 6 HB2 PHE 6 -0.308 -1.514 8.003 41 HD1 PHE 6 HD1 PHE 6 2.044 -0.973 8.158 42 HD2 PHE 6 HD2 PHE 6 0.766 -4.757 6.573 43 HE1 PHE 6 HE1 PHE 6 4.371 -1.817 8.295 44 HE2 PHE 6 HE2 PHE 6 3.094 -5.600 6.712 45 HZ PHE 6 HZ PHE 6 4.896 -4.130 7.572 46 H ASP 7 HN ASP 7 -1.786 -0.480 4.087 47 HA ASP 7 HA ASP 7 -4.353 -1.806 4.826 48 1HB ASP 7 HB1 ASP 7 -4.352 0.681 4.770 49 2HB ASP 7 HB2 ASP 7 -5.461 -0.004 3.587 50 H ALA 8 HN ALA 8 -5.321 -3.227 3.420 51 HA ALA 8 HA ALA 8 -3.833 -4.313 1.228 52 1HB ALA 8 HB1 ALA 8 -5.538 -5.609 2.452 53 2HB ALA 8 HB2 ALA 8 -5.879 -5.589 0.722 54 3HB ALA 8 HB3 ALA 8 -6.798 -4.553 1.814 55 H CYS 9 HN CYS 9 -3.465 -3.307 -0.661 56 HA CYS 9 HA CYS 9 -5.699 -1.817 -1.960 57 2HB CYS 9 HB1 CYS 9 -4.345 -0.068 -1.039 58 1HB CYS 9 HB2 CYS 9 -3.936 -0.154 -2.752 59 H THR 10 HN THR 10 -5.417 -1.639 -4.321 60 HA THR 10 HA THR 10 -4.122 -4.059 -5.414 61 HB THR 10 HB THR 10 -5.756 -1.972 -6.890 62 HG1 THR 10 HG1 THR 10 -7.307 -2.724 -5.696 63 1HG2 THR 10 HG21 THR 10 -5.055 -4.863 -7.472 64 2HG2 THR 10 HG22 THR 10 -4.471 -3.447 -8.346 65 3HG2 THR 10 HG23 THR 10 -6.176 -3.891 -8.426 66 HA PRO 11 HA PRO 11 -0.608 -1.707 -6.748 67 2HB PRO 11 HB1 PRO 11 0.635 -3.627 -6.458 68 1HB PRO 11 HB2 PRO 11 0.548 -3.724 -8.226 69 1HG PRO 11 HG1 PRO 11 -0.411 -5.688 -6.521 70 2HG PRO 11 HG2 PRO 11 -1.027 -5.429 -8.161 71 1HD PRO 11 HD2 PRO 11 -3.053 -4.953 -7.186 72 2HD PRO 11 HD1 PRO 11 -2.324 -4.857 -5.569 73 H GLY 12 HN GLY 12 -0.311 -0.370 -8.493 74 2HA GLY 12 HA1 GLY 12 -1.330 -1.188 -11.164 75 1HA GLY 12 HA2 GLY 12 -0.244 0.167 -10.851 76 H LYS 13 HN LYS 13 -2.885 -0.111 -8.650 77 HA LYS 13 HA LYS 13 -4.611 1.709 -10.225 78 2HB LYS 13 HB1 LYS 13 -6.051 1.366 -8.022 79 1HB LYS 13 HB2 LYS 13 -4.994 -0.031 -7.821 80 1HG LYS 13 HG1 LYS 13 -6.400 0.506 -10.439 81 2HG LYS 13 HG2 LYS 13 -7.200 -0.372 -9.135 82 2HD LYS 13 HD1 LYS 13 -6.162 -2.234 -9.872 83 1HD LYS 13 HD2 LYS 13 -4.643 -1.522 -9.330 84 2HE LYS 13 HE1 LYS 13 -4.124 -1.835 -11.557 85 1HE LYS 13 HE2 LYS 13 -4.862 -0.237 -11.671 86 1HZ LYS 13 HZ1 LYS 13 -5.795 -1.704 -13.319 87 2HZ LYS 13 HZ2 LYS 13 -6.985 -1.318 -12.169 88 3HZ LYS 13 HZ3 LYS 13 -6.223 -2.837 -12.132 89 H ASN 14 HN ASN 14 -2.263 1.832 -7.741 90 HA ASN 14 HA ASN 14 -1.461 3.559 -6.395 91 2HB ASN 14 HB1 ASN 14 -2.192 5.931 -7.243 92 1HB ASN 14 HB2 ASN 14 -2.861 5.041 -8.610 93 1HD2 ASN 14 HD21 ASN 14 0.188 5.669 -6.835 94 2HD2 ASN 14 HD22 ASN 14 1.211 5.241 -8.121 95 H GLU 15 HN GLU 15 -2.788 2.731 -4.641 96 HA GLU 15 HA GLU 15 -5.039 4.575 -3.937 97 2HB GLU 15 HB1 GLU 15 -5.914 2.505 -2.634 98 1HB GLU 15 HB2 GLU 15 -4.833 1.573 -3.669 99 2HG GLU 15 HG1 GLU 15 -5.999 2.175 -5.629 100 1HG GLU 15 HG2 GLU 15 -6.773 3.557 -4.853 101 H CYS 16 HN CYS 16 -2.499 5.242 -3.163 102 HA CYS 16 HA CYS 16 -2.656 4.956 -0.234 103 2HB CYS 16 HB1 CYS 16 0.005 4.437 -0.523 104 1HB CYS 16 HB2 CYS 16 -0.650 3.564 -1.908 105 H CYS 17 HN CYS 17 -0.500 6.136 0.663 106 HA CYS 17 HA CYS 17 -0.676 8.880 -0.236 107 2HB CYS 17 HB1 CYS 17 1.599 8.746 1.329 108 1HB CYS 17 HB2 CYS 17 0.658 7.373 1.909 109 HA PRO 18 HA PRO 18 2.656 9.092 -3.111 110 2HB PRO 18 HB1 PRO 18 2.341 11.368 -3.246 111 1HB PRO 18 HB2 PRO 18 3.897 11.445 -2.404 112 1HG PRO 18 HG1 PRO 18 1.549 12.529 -1.410 113 2HG PRO 18 HG2 PRO 18 2.900 12.013 -0.386 114 1HD PRO 18 HD2 PRO 18 1.446 10.490 0.536 115 2HD PRO 18 HD1 PRO 18 0.242 10.766 -0.741 116 H ASN 19 HN ASN 19 3.475 9.184 0.299 117 HA ASN 19 HA ASN 19 6.341 8.669 -0.236 118 2HB ASN 19 HB1 ASN 19 6.582 8.797 2.221 119 1HB ASN 19 HB2 ASN 19 4.831 8.948 2.380 120 1HD2 ASN 19 HD21 ASN 19 7.727 10.601 1.063 121 2HD2 ASN 19 HD22 ASN 19 7.026 12.147 1.036 122 H ARG 20 HN ARG 20 3.527 6.841 0.008 123 HA ARG 20 HA ARG 20 5.080 4.432 0.876 124 2HB ARG 20 HB1 ARG 20 2.679 3.567 1.458 125 1HB ARG 20 HB2 ARG 20 2.252 5.279 1.467 126 2HG ARG 20 HG1 ARG 20 4.176 5.655 3.063 127 1HG ARG 20 HG2 ARG 20 4.358 3.903 3.160 128 2HD ARG 20 HD1 ARG 20 2.979 4.520 5.011 129 1HD ARG 20 HD2 ARG 20 1.888 3.825 3.813 130 HE ARG 20 HE ARG 20 1.840 6.528 3.231 131 1HH1 ARG 20 HH11 ARG 20 2.184 7.707 5.666 132 2HH1 ARG 20 HH12 ARG 20 0.736 7.452 6.580 133 1HH2 ARG 20 HH21 ARG 20 -0.390 4.850 4.571 134 2HH2 ARG 20 HH22 ARG 20 -0.726 5.830 5.959 135 H VAL 21 HN VAL 21 4.301 2.386 -0.138 136 HA VAL 21 HA VAL 21 2.883 2.776 -2.732 137 HB VAL 21 HB VAL 21 4.590 1.239 -3.802 138 1HG1 VAL 21 HG11 VAL 21 5.725 3.840 -2.737 139 2HG1 VAL 21 HG12 VAL 21 4.572 3.739 -4.068 140 3HG1 VAL 21 HG13 VAL 21 6.174 3.020 -4.233 141 1HG2 VAL 21 HG21 VAL 21 5.508 0.361 -1.648 142 2HG2 VAL 21 HG22 VAL 21 6.203 1.949 -1.329 143 3HG2 VAL 21 HG23 VAL 21 6.763 1.002 -2.707 144 H CYS 22 HN CYS 22 1.932 0.808 -3.570 145 HA CYS 22 HA CYS 22 1.118 -1.058 -1.448 146 2HB CYS 22 HB1 CYS 22 -0.266 -2.071 -3.317 147 1HB CYS 22 HB2 CYS 22 0.374 -0.816 -4.378 148 H SER 23 HN SER 23 1.818 -3.166 -1.243 149 HA SER 23 HA SER 23 4.090 -3.989 -2.975 150 2HB SER 23 HB1 SER 23 3.823 -5.918 -1.008 151 1HB SER 23 HB2 SER 23 3.305 -4.449 -0.187 152 HG SER 23 HG SER 23 5.222 -3.464 -0.737 153 H ASP 24 HN ASP 24 4.089 -5.959 -4.100 154 HA ASP 24 HA ASP 24 1.416 -7.033 -4.752 155 2HB ASP 24 HB1 ASP 24 2.950 -8.474 -6.344 156 1HB ASP 24 HB2 ASP 24 4.166 -7.262 -5.942 157 H LYS 25 HN LYS 25 4.545 -8.247 -3.516 158 HA LYS 25 HA LYS 25 3.622 -10.945 -3.073 159 2HB LYS 25 HB1 LYS 25 5.659 -11.027 -1.519 160 1HB LYS 25 HB2 LYS 25 5.951 -9.350 -1.983 161 2HG LYS 25 HG1 LYS 25 6.371 -9.918 -4.225 162 1HG LYS 25 HG2 LYS 25 5.535 -11.465 -4.088 163 2HD LYS 25 HD1 LYS 25 7.317 -12.437 -2.857 164 1HD LYS 25 HD2 LYS 25 8.038 -10.866 -2.504 165 2HE LYS 25 HE1 LYS 25 8.734 -10.581 -4.782 166 1HE LYS 25 HE2 LYS 25 7.764 -11.953 -5.318 167 1HZ LYS 25 HZ1 LYS 25 10.062 -12.128 -3.443 168 2HZ LYS 25 HZ2 LYS 25 10.128 -12.499 -5.100 169 3HZ LYS 25 HZ3 LYS 25 9.163 -13.430 -4.057 170 H HIS 26 HN HIS 26 3.573 -7.997 -1.131 171 HA HIS 26 HA HIS 26 2.619 -9.445 1.260 172 2HB HIS 26 HB1 HIS 26 2.454 -7.016 2.134 173 1HB HIS 26 HB2 HIS 26 3.298 -6.570 0.655 174 HD1 HIS 26 HD1 HIS 26 3.789 -9.395 3.192 175 HD2 HIS 26 HD2 HIS 26 5.987 -6.453 1.220 176 HE1 HIS 26 HE1 HIS 26 6.193 -9.679 3.935 177 H LYS 27 HN LYS 27 1.328 -7.565 -1.400 178 HA LYS 27 HA LYS 27 -0.872 -7.224 -2.096 179 2HB LYS 27 HB1 LYS 27 -2.462 -8.512 -0.143 180 1HB LYS 27 HB2 LYS 27 -1.027 -9.516 -0.352 181 2HG LYS 27 HG1 LYS 27 -1.380 -9.589 -2.762 182 1HG LYS 27 HG2 LYS 27 -2.734 -8.467 -2.630 183 1HD LYS 27 HD1 LYS 27 -2.886 -10.914 -0.947 184 2HD LYS 27 HD2 LYS 27 -3.049 -11.156 -2.686 185 1HE LYS 27 HE1 LYS 27 -4.607 -8.960 -1.349 186 2HE LYS 27 HE2 LYS 27 -5.181 -10.623 -1.230 187 1HZ LYS 27 HZ1 LYS 27 -5.100 -10.768 -3.656 188 2HZ LYS 27 HZ2 LYS 27 -4.610 -9.143 -3.743 189 3HZ LYS 27 HZ3 LYS 27 -6.148 -9.539 -3.138 190 H TRP 28 HN TRP 28 0.482 -5.729 0.357 191 HA TRP 28 HA TRP 28 -1.945 -4.105 0.882 192 2HB TRP 28 HB1 TRP 28 -1.828 -5.562 2.830 193 1HB TRP 28 HB2 TRP 28 -1.394 -3.924 3.298 194 HD1 TRP 28 HD1 TRP 28 1.548 -3.625 2.835 195 HE1 TRP 28 HE1 TRP 28 3.310 -5.116 3.975 196 HE3 TRP 28 HE3 TRP 28 -1.343 -7.668 4.003 197 HZ2 TRP 28 HZ2 TRP 28 3.474 -7.685 5.219 198 HZ3 TRP 28 HZ3 TRP 28 -0.358 -9.621 5.166 199 HH2 TRP 28 HH2 TRP 28 2.044 -9.635 5.775 200 H CYS 29 HN CYS 29 -1.169 -2.030 2.186 201 HA CYS 29 HA CYS 29 0.951 -0.828 0.551 202 2HB CYS 29 HB1 CYS 29 -0.213 0.690 2.818 203 1HB CYS 29 HB2 CYS 29 -1.347 0.167 1.574 204 H LYS 30 HN LYS 30 2.813 0.264 1.468 205 HA LYS 30 HA LYS 30 3.529 -0.151 4.267 206 2HB LYS 30 HB1 LYS 30 4.083 -2.372 3.507 207 1HB LYS 30 HB2 LYS 30 5.597 -1.492 3.704 208 2HG LYS 30 HG1 LYS 30 5.032 -0.891 1.114 209 1HG LYS 30 HG2 LYS 30 4.288 -2.486 1.231 210 1HD LYS 30 HD1 LYS 30 7.087 -1.984 2.248 211 2HD LYS 30 HD2 LYS 30 6.786 -2.371 0.554 212 2HE LYS 30 HE1 LYS 30 6.913 -4.536 1.235 213 1HE LYS 30 HE2 LYS 30 5.281 -4.278 1.848 214 1HZ LYS 30 HZ1 LYS 30 7.791 -3.876 3.385 215 2HZ LYS 30 HZ2 LYS 30 6.724 -5.187 3.552 216 3HZ LYS 30 HZ3 LYS 30 6.222 -3.621 3.976 217 H TRP 31 HN TRP 31 5.940 0.553 4.565 218 HA TRP 31 HA TRP 31 6.252 3.142 3.254 219 2HB TRP 31 HB1 TRP 31 8.420 3.077 4.727 220 1HB TRP 31 HB2 TRP 31 7.680 1.642 5.439 221 HD1 TRP 31 HD1 TRP 31 6.151 2.126 7.413 222 HE1 TRP 31 HE1 TRP 31 4.772 4.149 8.228 223 HE3 TRP 31 HE3 TRP 31 7.063 5.383 3.606 224 HZ2 TRP 31 HZ2 TRP 31 4.142 6.809 7.368 225 HZ3 TRP 31 HZ3 TRP 31 6.066 7.655 3.621 226 HH2 TRP 31 HH2 TRP 31 4.608 8.371 5.494 227 H LYS 32 HN LYS 32 8.914 3.496 2.905 228 HA LYS 32 HA LYS 32 9.496 2.442 0.369 229 2HB LYS 32 HB1 LYS 32 10.732 4.353 1.119 230 1HB LYS 32 HB2 LYS 32 11.906 3.058 0.895 231 2HG LYS 32 HG1 LYS 32 11.229 2.619 3.483 232 1HG LYS 32 HG2 LYS 32 10.969 4.361 3.399 233 2HD LYS 32 HD1 LYS 32 13.257 4.646 2.490 234 1HD LYS 32 HD2 LYS 32 13.510 2.903 2.601 235 2HE LYS 32 HE1 LYS 32 12.907 3.160 5.096 236 1HE LYS 32 HE2 LYS 32 13.135 4.891 4.847 237 1HZ LYS 32 HZ1 LYS 32 15.371 4.481 4.094 238 2HZ LYS 32 HZ2 LYS 32 15.157 2.801 4.237 239 3HZ LYS 32 HZ3 LYS 32 15.157 3.782 5.624 240 H LEU 33 HN LEU 33 10.053 1.021 3.496 241 HA LEU 33 HA LEU 33 11.511 -1.259 2.238 242 2HB LEU 33 HB1 LEU 33 11.918 -1.861 4.724 243 1HB LEU 33 HB2 LEU 33 11.349 -0.229 5.072 244 HG LEU 33 HG LEU 33 13.089 0.427 3.181 245 1HD1 LEU 33 HD11 LEU 33 14.798 0.720 4.954 246 2HD1 LEU 33 HD12 LEU 33 13.886 -0.371 5.999 247 3HD1 LEU 33 HD13 LEU 33 13.191 1.178 5.519 248 1HD2 LEU 33 HD21 LEU 33 13.677 -1.886 2.596 249 2HD2 LEU 33 HD22 LEU 33 14.160 -2.201 4.263 250 3HD2 LEU 33 HD23 LEU 33 15.079 -1.063 3.279 No H/Q in entry = 250 Start of MODEL 1 1 HA ALA 1 HA ALA 1 1.151 14.808 1.317 2 1HB ALA 1 HB1 ALA 1 -1.510 13.744 0.339 3 2HB ALA 1 HB2 ALA 1 -1.217 15.191 1.302 4 3HB ALA 1 HB3 ALA 1 -0.977 13.595 2.013 5 H1 ALA 1 HT1 ALA 1 0.025 14.222 -1.368 6 H2 ALA 1 HT2 ALA 1 1.631 14.693 -1.077 7 H3 ALA 1 HT3 ALA 1 0.355 15.754 -0.720 8 H CYS 2 HN CYS 2 -0.196 12.155 -0.707 9 HA CYS 2 HA CYS 2 2.004 10.407 0.308 10 1HB CYS 2 HB1 CYS 2 -0.099 9.923 1.553 11 2HB CYS 2 HB2 CYS 2 0.428 8.556 0.574 12 H LYS 3 HN LYS 3 1.687 8.162 -1.085 13 HA LYS 3 HA LYS 3 2.209 8.967 -3.848 14 2HB LYS 3 HB1 LYS 3 2.619 6.547 -4.212 15 1HB LYS 3 HB2 LYS 3 2.031 6.213 -2.584 16 2HG LYS 3 HG1 LYS 3 3.865 8.035 -1.931 17 1HG LYS 3 HG2 LYS 3 4.582 7.522 -3.459 18 2HD LYS 3 HD1 LYS 3 5.227 5.526 -2.600 19 1HD LYS 3 HD2 LYS 3 3.675 5.275 -1.802 20 2HE LYS 3 HE1 LYS 3 4.353 6.345 0.145 21 1HE LYS 3 HE2 LYS 3 5.535 7.348 -0.695 22 1HZ LYS 3 HZ1 LYS 3 5.781 4.421 -0.248 23 2HZ LYS 3 HZ2 LYS 3 6.588 5.621 0.644 24 3HZ LYS 3 HZ3 LYS 3 6.928 5.414 -1.007 25 H GLY 4 HN GLY 4 1.148 7.067 -5.450 26 2HA GLY 4 HA1 GLY 4 -0.868 6.982 -6.739 27 1HA GLY 4 HA2 GLY 4 -1.740 7.697 -5.382 28 H VAL 5 HN VAL 5 -2.608 5.379 -6.813 29 HA VAL 5 HA VAL 5 -2.760 3.458 -4.565 30 HB VAL 5 HB VAL 5 -4.184 3.057 -7.182 31 1HG1 VAL 5 HG11 VAL 5 -4.813 2.528 -4.265 32 2HG1 VAL 5 HG12 VAL 5 -4.440 1.332 -5.507 33 3HG1 VAL 5 HG13 VAL 5 -5.950 2.239 -5.581 34 1HG2 VAL 5 HG21 VAL 5 -6.060 4.471 -6.141 35 2HG2 VAL 5 HG22 VAL 5 -4.691 5.362 -6.802 36 3HG2 VAL 5 HG23 VAL 5 -4.827 5.120 -5.061 37 H PHE 6 HN PHE 6 -2.511 1.110 -5.047 38 HA PHE 6 HA PHE 6 -1.183 -0.680 -5.756 39 2HB PHE 6 HB1 PHE 6 -0.754 -0.795 -8.219 40 1HB PHE 6 HB2 PHE 6 -1.365 0.851 -8.372 41 HD1 PHE 6 HD1 PHE 6 -2.257 -2.637 -7.496 42 HD2 PHE 6 HD2 PHE 6 -3.727 1.334 -8.215 43 HE1 PHE 6 HE1 PHE 6 -4.577 -3.509 -7.571 44 HE2 PHE 6 HE2 PHE 6 -6.046 0.462 -8.291 45 HZ PHE 6 HZ PHE 6 -6.472 -1.960 -7.969 46 H ASP 7 HN ASP 7 0.189 1.443 -4.456 47 HA ASP 7 HA ASP 7 2.716 1.795 -5.982 48 2HB ASP 7 HB1 ASP 7 1.977 2.905 -3.256 49 1HB ASP 7 HB2 ASP 7 1.644 3.739 -4.774 50 H ALA 8 HN ALA 8 4.116 0.117 -5.769 51 HA ALA 8 HA ALA 8 4.079 -1.961 -3.913 52 1HB ALA 8 HB1 ALA 8 6.358 -2.435 -4.536 53 2HB ALA 8 HB2 ALA 8 6.616 -0.768 -5.049 54 3HB ALA 8 HB3 ALA 8 5.531 -1.815 -5.964 55 H CYS 9 HN CYS 9 4.516 -2.131 -1.776 56 HA CYS 9 HA CYS 9 6.352 -0.197 -0.473 57 2HB CYS 9 HB1 CYS 9 4.225 0.885 -0.156 58 1HB CYS 9 HB2 CYS 9 4.641 0.114 1.374 59 H THR 10 HN THR 10 6.695 -0.877 1.892 60 HA THR 10 HA THR 10 7.024 -3.824 1.970 61 HB THR 10 HB THR 10 8.078 -1.681 3.847 62 HG1 THR 10 HG1 THR 10 9.374 -1.384 2.226 63 1HG2 THR 10 HG21 THR 10 9.645 -3.542 4.521 64 2HG2 THR 10 HG22 THR 10 8.632 -4.647 3.593 65 3HG2 THR 10 HG23 THR 10 7.965 -3.801 4.989 66 HA PRO 11 HA PRO 11 3.441 -3.988 4.614 67 2HB PRO 11 HB1 PRO 11 2.866 -5.940 3.530 68 1HB PRO 11 HB2 PRO 11 3.521 -6.717 4.981 69 1HG PRO 11 HG1 PRO 11 4.490 -7.159 2.424 70 2HG PRO 11 HG2 PRO 11 5.466 -7.361 3.888 71 1HD PRO 11 HD2 PRO 11 6.816 -5.694 3.058 72 2HD PRO 11 HD1 PRO 11 5.625 -5.261 1.813 73 H GLY 12 HN GLY 12 3.323 -3.713 6.803 74 2HA GLY 12 HA1 GLY 12 5.076 -5.184 8.645 75 1HA GLY 12 HA2 GLY 12 3.820 -4.033 9.102 76 H LYS 13 HN LYS 13 5.315 -2.307 6.834 77 HA LYS 13 HA LYS 13 7.429 -1.266 8.663 78 2HB LYS 13 HB1 LYS 13 7.321 -1.326 5.642 79 1HB LYS 13 HB2 LYS 13 8.446 -2.204 6.676 80 2HG LYS 13 HG1 LYS 13 8.693 0.478 7.459 81 1HG LYS 13 HG2 LYS 13 8.593 0.528 5.698 82 2HD LYS 13 HD1 LYS 13 10.373 -1.231 5.603 83 1HD LYS 13 HD2 LYS 13 10.518 -1.131 7.357 84 2HE LYS 13 HE1 LYS 13 12.182 0.358 6.706 85 1HE LYS 13 HE2 LYS 13 10.811 1.456 6.857 86 1HZ LYS 13 HZ1 LYS 13 11.688 0.153 4.335 87 2HZ LYS 13 HZ2 LYS 13 12.012 1.763 4.769 88 3HZ LYS 13 HZ3 LYS 13 10.413 1.260 4.496 89 H ASN 14 HN ASN 14 5.757 -0.042 5.797 90 HA ASN 14 HA ASN 14 4.369 2.046 7.298 91 2HB ASN 14 HB1 ASN 14 6.241 3.152 5.248 92 1HB ASN 14 HB2 ASN 14 6.916 2.714 6.817 93 1HD2 ASN 14 HD21 ASN 14 6.524 4.150 8.558 94 2HD2 ASN 14 HD22 ASN 14 5.505 5.504 8.457 95 H GLU 15 HN GLU 15 2.573 2.685 6.166 96 HA GLU 15 HA GLU 15 2.087 1.466 3.537 97 1HB GLU 15 HB1 GLU 15 0.341 1.603 5.361 98 2HB GLU 15 HB2 GLU 15 -0.187 2.234 3.803 99 2HG GLU 15 HG1 GLU 15 -0.189 4.428 4.538 100 1HG GLU 15 HG2 GLU 15 1.090 4.145 5.718 101 H CYS 16 HN CYS 16 0.633 3.231 2.109 102 HA CYS 16 HA CYS 16 2.601 5.381 1.481 103 1HB CYS 16 HB1 CYS 16 1.552 5.456 -0.724 104 2HB CYS 16 HB2 CYS 16 0.292 4.342 -0.196 105 H CYS 17 HN CYS 17 -0.954 5.063 1.170 106 HA CYS 17 HA CYS 17 -1.217 7.887 2.093 107 2HB CYS 17 HB1 CYS 17 -3.498 7.737 1.097 108 1HB CYS 17 HB2 CYS 17 -3.163 6.072 0.631 109 HA PRO 18 HA PRO 18 -3.230 6.656 5.809 110 2HB PRO 18 HB1 PRO 18 -3.412 8.881 6.373 111 1HB PRO 18 HB2 PRO 18 -5.137 8.627 6.056 112 1HG PRO 18 HG1 PRO 18 -3.583 10.480 4.711 113 2HG PRO 18 HG2 PRO 18 -5.037 9.740 4.020 114 1HD PRO 18 HD2 PRO 18 -3.653 8.877 2.398 115 2HD PRO 18 HD1 PRO 18 -2.195 9.284 3.327 116 H ASN 19 HN ASN 19 -5.293 7.235 2.986 117 HA ASN 19 HA ASN 19 -7.496 5.627 4.141 118 2HB ASN 19 HB1 ASN 19 -8.654 6.195 1.990 119 1HB ASN 19 HB2 ASN 19 -7.215 7.088 1.496 120 1HD2 ASN 19 HD21 ASN 19 -6.896 9.191 2.405 121 2HD2 ASN 19 HD22 ASN 19 -7.978 9.903 3.502 122 H ARG 20 HN ARG 20 -4.633 4.766 2.924 123 HA ARG 20 HA ARG 20 -5.740 2.384 1.499 124 2HB ARG 20 HB1 ARG 20 -3.364 2.531 0.312 125 1HB ARG 20 HB2 ARG 20 -3.526 4.243 0.705 126 2HG ARG 20 HG1 ARG 20 -5.765 4.237 -0.407 127 1HG ARG 20 HG2 ARG 20 -5.494 2.559 -0.877 128 2HD ARG 20 HD1 ARG 20 -4.050 3.137 -2.537 129 1HD ARG 20 HD2 ARG 20 -3.277 4.384 -1.558 130 HE ARG 20 HE ARG 20 -5.652 4.762 -3.282 131 1HH1 ARG 20 HH11 ARG 20 -3.586 6.602 -3.865 132 2HH1 ARG 20 HH12 ARG 20 -3.895 7.978 -2.859 133 1HH2 ARG 20 HH21 ARG 20 -6.004 6.258 -0.700 134 2HH2 ARG 20 HH22 ARG 20 -5.268 7.782 -1.064 135 H VAL 21 HN VAL 21 -4.125 0.515 1.567 136 HA VAL 21 HA VAL 21 -2.367 0.638 3.978 137 HB VAL 21 HB VAL 21 -3.157 -1.648 4.615 138 1HG1 VAL 21 HG11 VAL 21 -5.435 -0.857 5.433 139 2HG1 VAL 21 HG12 VAL 21 -5.156 0.621 4.515 140 3HG1 VAL 21 HG13 VAL 21 -4.077 0.192 5.841 141 1HG2 VAL 21 HG21 VAL 21 -5.134 -1.096 2.385 142 2HG2 VAL 21 HG22 VAL 21 -5.432 -2.292 3.645 143 3HG2 VAL 21 HG23 VAL 21 -4.059 -2.483 2.556 144 H CYS 22 HN CYS 22 -0.621 -0.876 3.961 145 HA CYS 22 HA CYS 22 0.321 -1.553 1.266 146 2HB CYS 22 HB1 CYS 22 1.657 -2.287 3.881 147 1HB CYS 22 HB2 CYS 22 1.771 -0.666 3.196 148 H SER 23 HN SER 23 -0.533 -3.362 0.351 149 HA SER 23 HA SER 23 -1.518 -5.600 1.944 150 2HB SER 23 HB1 SER 23 -1.064 -5.520 -1.048 151 1HB SER 23 HB2 SER 23 -2.489 -4.836 -0.273 152 HG SER 23 HG SER 23 -2.790 -7.015 -0.971 153 H ASP 24 HN ASP 24 -0.643 -7.717 2.002 154 HA ASP 24 HA ASP 24 2.294 -7.836 1.675 155 2HB ASP 24 HB1 ASP 24 0.610 -10.127 2.659 156 1HB ASP 24 HB2 ASP 24 0.861 -8.725 3.699 157 H LYS 25 HN LYS 25 -0.599 -9.638 0.580 158 HA LYS 25 HA LYS 25 0.867 -11.389 -1.192 159 2HB LYS 25 HB1 LYS 25 -1.362 -12.005 -0.376 160 1HB LYS 25 HB2 LYS 25 -1.367 -11.929 -2.137 161 2HG LYS 25 HG1 LYS 25 -2.227 -9.541 -1.911 162 1HG LYS 25 HG2 LYS 25 -2.455 -9.872 -0.195 163 2HD LYS 25 HD1 LYS 25 -4.345 -11.042 -0.593 164 1HD LYS 25 HD2 LYS 25 -3.567 -11.993 -1.858 165 2HE LYS 25 HE1 LYS 25 -5.043 -10.862 -3.200 166 1HE LYS 25 HE2 LYS 25 -3.792 -9.621 -3.144 167 1HZ LYS 25 HZ1 LYS 25 -4.929 -8.551 -1.338 168 2HZ LYS 25 HZ2 LYS 25 -6.089 -9.790 -1.268 169 3HZ LYS 25 HZ3 LYS 25 -6.019 -8.764 -2.620 170 H HIS 26 HN HIS 26 -0.582 -8.192 -1.555 171 HA HIS 26 HA HIS 26 -0.127 -8.184 -4.476 172 2HB HIS 26 HB1 HIS 26 -0.880 -5.681 -4.023 173 1HB HIS 26 HB2 HIS 26 -1.439 -6.358 -2.498 174 HD1 HIS 26 HD1 HIS 26 -3.906 -5.854 -3.425 175 HD2 HIS 26 HD2 HIS 26 -1.789 -8.798 -5.484 176 HE1 HIS 26 HE1 HIS 26 -5.605 -7.124 -4.809 177 H LYS 27 HN LYS 27 1.379 -7.034 -1.529 178 HA LYS 27 HA LYS 27 3.475 -6.098 -1.139 179 2HB LYS 27 HB1 LYS 27 5.153 -6.161 -2.980 180 1HB LYS 27 HB2 LYS 27 3.888 -6.692 -4.085 181 2HG LYS 27 HG1 LYS 27 4.007 -8.818 -3.324 182 1HG LYS 27 HG2 LYS 27 3.939 -8.290 -1.643 183 2HD LYS 27 HD1 LYS 27 6.426 -7.541 -2.086 184 1HD LYS 27 HD2 LYS 27 6.335 -8.703 -3.410 185 1HE LYS 27 HE1 LYS 27 5.423 -9.485 -0.648 186 2HE LYS 27 HE2 LYS 27 7.138 -9.519 -1.053 187 1HZ LYS 27 HZ1 LYS 27 6.629 -10.960 -2.928 188 2HZ LYS 27 HZ2 LYS 27 4.979 -10.936 -2.523 189 3HZ LYS 27 HZ3 LYS 27 6.105 -11.654 -1.473 190 H TRP 28 HN TRP 28 1.078 -4.483 -2.307 191 HA TRP 28 HA TRP 28 2.662 -2.003 -2.622 192 1HB TRP 28 HB1 TRP 28 2.268 -2.725 -4.937 193 2HB TRP 28 HB2 TRP 28 1.372 -1.255 -4.581 194 HD1 TRP 28 HD1 TRP 28 -1.271 -2.047 -3.458 195 HE1 TRP 28 HE1 TRP 28 -2.944 -3.559 -4.701 196 HE3 TRP 28 HE3 TRP 28 1.898 -4.391 -6.705 197 HZ2 TRP 28 HZ2 TRP 28 -2.944 -5.501 -6.796 198 HZ3 TRP 28 HZ3 TRP 28 1.033 -6.064 -8.315 199 HH2 TRP 28 HH2 TRP 28 -1.382 -6.622 -8.365 200 H CYS 29 HN CYS 29 1.163 -0.036 -2.541 201 HA CYS 29 HA CYS 29 -0.690 -0.378 -0.298 202 2HB CYS 29 HB1 CYS 29 -0.933 2.110 -0.496 203 1HB CYS 29 HB2 CYS 29 0.113 2.063 -1.915 204 H LYS 30 HN LYS 30 -2.799 -0.900 -0.617 205 HA LYS 30 HA LYS 30 -4.104 0.026 -3.146 206 2HB LYS 30 HB1 LYS 30 -3.746 -2.375 -3.295 207 1HB LYS 30 HB2 LYS 30 -5.465 -2.065 -3.069 208 2HG LYS 30 HG1 LYS 30 -4.687 -2.277 -0.478 209 1HG LYS 30 HG2 LYS 30 -3.512 -3.351 -1.237 210 2HD LYS 30 HD1 LYS 30 -5.532 -4.391 -2.461 211 1HD LYS 30 HD2 LYS 30 -6.528 -3.535 -1.283 212 2HE LYS 30 HE1 LYS 30 -4.608 -4.713 0.313 213 1HE LYS 30 HE2 LYS 30 -4.854 -5.930 -0.939 214 1HZ LYS 30 HZ1 LYS 30 -7.182 -5.948 -0.498 215 2HZ LYS 30 HZ2 LYS 30 -7.055 -4.637 0.576 216 3HZ LYS 30 HZ3 LYS 30 -6.377 -6.141 0.981 217 H TRP 31 HN TRP 31 -6.505 0.161 -2.960 218 HA TRP 31 HA TRP 31 -7.324 1.801 -0.787 219 2HB TRP 31 HB1 TRP 31 -9.688 1.157 -1.713 220 1HB TRP 31 HB2 TRP 31 -8.776 0.338 -2.980 221 HD1 TRP 31 HD1 TRP 31 -8.119 1.785 -4.962 222 HE1 TRP 31 HE1 TRP 31 -7.909 4.315 -5.408 223 HE3 TRP 31 HE3 TRP 31 -9.064 3.582 -0.284 224 HZ2 TRP 31 HZ2 TRP 31 -8.117 6.779 -3.968 225 HZ3 TRP 31 HZ3 TRP 31 -9.056 6.022 0.154 226 HH2 TRP 31 HH2 TRP 31 -8.582 7.621 -1.680 227 H LYS 32 HN LYS 32 -8.729 1.359 0.972 228 HA LYS 32 HA LYS 32 -8.534 -1.393 2.011 229 1HB LYS 32 HB1 LYS 32 -9.168 -0.485 4.125 230 2HB LYS 32 HB2 LYS 32 -9.830 0.969 3.377 231 2HG LYS 32 HG1 LYS 32 -7.575 1.644 2.663 232 1HG LYS 32 HG2 LYS 32 -6.901 0.169 3.355 233 2HD LYS 32 HD1 LYS 32 -6.540 1.785 5.042 234 1HD LYS 32 HD2 LYS 32 -8.008 0.964 5.570 235 2HE LYS 32 HE1 LYS 32 -8.885 3.010 3.847 236 1HE LYS 32 HE2 LYS 32 -7.626 3.748 4.837 237 1HZ LYS 32 HZ1 LYS 32 -9.857 3.867 5.841 238 2HZ LYS 32 HZ2 LYS 32 -8.741 3.033 6.813 239 3HZ LYS 32 HZ3 LYS 32 -9.901 2.174 5.915 240 H LEU 33 HN LEU 33 -10.911 0.791 0.722 241 HA LEU 33 HA LEU 33 -12.862 -1.405 0.542 242 2HB LEU 33 HB1 LEU 33 -14.325 0.860 1.530 243 1HB LEU 33 HB2 LEU 33 -13.020 0.497 2.661 244 HG LEU 33 HG LEU 33 -13.817 -1.992 2.328 245 1HD1 LEU 33 HD11 LEU 33 -15.448 -1.672 4.193 246 2HD1 LEU 33 HD12 LEU 33 -15.364 0.069 3.928 247 3HD1 LEU 33 HD13 LEU 33 -13.932 -0.812 4.460 248 1HD2 LEU 33 HD21 LEU 33 -15.421 -1.358 0.503 249 2HD2 LEU 33 HD22 LEU 33 -16.351 -0.446 1.693 250 3HD2 LEU 33 HD23 LEU 33 -16.196 -2.196 1.848 No H/Q in entry = 250
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