NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5987 | 1ib9 | 5028 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 2.792 11.858 1.321 2 HA SER 1 HA SER 1 4.754 10.111 2.746 3 1HB SER 1 2HB SER 1 6.525 11.758 1.930 4 2HB SER 1 1HB SER 1 5.754 10.935 0.575 5 HG SER 1 HG SER 1 4.274 12.689 0.483 6 H GLY 2 H GLY 2 5.094 10.731 4.776 7 1HA GLY 2 2HA GLY 2 4.206 13.448 5.700 8 2HA GLY 2 1HA GLY 2 3.953 11.985 6.644 9 H SER 3 H SER 3 5.286 11.945 8.302 10 HA SER 3 HA SER 3 8.190 12.296 7.930 11 1HB SER 3 2HB SER 3 7.335 14.610 8.480 12 2HB SER 3 1HB SER 3 6.644 13.971 9.981 13 HG SER 3 HG SER 3 8.662 13.402 10.662 14 H ASP 4 H ASP 4 9.375 11.725 9.895 15 HA ASP 4 HA ASP 4 9.968 10.074 11.417 16 1HB ASP 4 2HB ASP 4 8.644 11.710 12.816 17 2HB ASP 4 1HB ASP 4 7.193 10.771 12.523 18 H GLY 5 H GLY 5 9.140 9.009 9.132 19 1HA GLY 5 2HA GLY 5 8.997 6.500 8.910 20 2HA GLY 5 1HA GLY 5 7.510 6.617 9.850 21 H GLY 6 H GLY 6 6.791 9.142 8.568 22 1HA GLY 6 2HA GLY 6 5.272 8.095 6.329 23 2HA GLY 6 1HA GLY 6 5.296 9.772 6.880 24 H VAL 7 H VAL 7 6.883 7.386 4.923 25 HA VAL 7 HA VAL 7 8.224 9.541 3.337 26 HB VAL 7 HB VAL 7 9.403 6.801 4.012 27 1HG1 VAL 7 1HG1 VAL 7 11.458 7.699 2.931 28 2HG1 VAL 7 2HG1 VAL 7 10.612 9.190 2.550 29 3HG1 VAL 7 3HG1 VAL 7 10.119 7.682 1.798 30 1HG2 VAL 7 1HG2 VAL 7 10.202 9.558 5.055 31 2HG2 VAL 7 2HG2 VAL 7 11.057 8.061 5.388 32 3HG2 VAL 7 3HG2 VAL 7 9.434 8.297 6.006 33 H CYS 8 H CYS 8 7.712 9.423 1.266 34 HA CYS 8 HA CYS 8 6.962 6.843 0.059 35 1HB CYS 8 2HB CYS 8 4.937 7.975 1.129 36 2HB CYS 8 1HB CYS 8 5.036 9.184 -0.119 37 HA PRO 9 HA PRO 9 8.775 8.996 -3.507 38 1HB PRO 9 2HB PRO 9 8.050 7.014 -5.386 39 2HB PRO 9 1HB PRO 9 9.542 7.066 -4.465 40 1HG PRO 9 2HG PRO 9 7.217 5.304 -4.126 41 2HG PRO 9 1HG PRO 9 8.848 5.114 -3.505 42 1HD PRO 9 2HD PRO 9 6.529 5.941 -2.034 43 2HD PRO 9 1HD PRO 9 8.200 5.884 -1.445 44 H LYS 10 H LYS 10 7.577 8.770 -6.045 45 HA LYS 10 HA LYS 10 5.666 10.805 -6.062 46 1HB LYS 10 2HB LYS 10 5.102 10.016 -8.375 47 2HB LYS 10 1HB LYS 10 6.829 10.093 -8.097 48 1HG LYS 10 2HG LYS 10 6.892 7.638 -7.680 49 2HG LYS 10 1HG LYS 10 5.159 7.537 -7.930 50 1HD LYS 10 2HD LYS 10 5.455 8.407 -10.254 51 2HD LYS 10 1HD LYS 10 7.192 8.450 -10.002 52 1HE LYS 10 2HE LYS 10 7.194 5.992 -9.588 53 2HE LYS 10 1HE LYS 10 5.453 5.950 -9.838 54 1HZ LYS 10 1HZ LYS 10 6.632 5.319 -11.820 55 2HZ LYS 10 2HZ LYS 10 7.467 6.799 -11.833 56 3HZ LYS 10 3HZ LYS 10 5.786 6.770 -12.074 57 H ILE 11 H ILE 11 3.490 10.948 -5.893 58 HA ILE 11 HA ILE 11 2.009 8.456 -5.143 59 HB ILE 11 HB ILE 11 0.544 9.946 -3.784 60 1HG1 ILE 11 2HG1 ILE 11 2.553 12.130 -4.530 61 2HG1 ILE 11 1HG1 ILE 11 0.877 12.095 -5.030 62 1HG2 ILE 11 1HG2 ILE 11 2.534 8.782 -2.812 63 2HG2 ILE 11 2HG2 ILE 11 2.269 10.304 -1.995 64 3HG2 ILE 11 3HG2 ILE 11 3.537 10.167 -3.194 65 1HD1 ILE 11 1HD1 ILE 11 1.130 13.615 -3.137 66 2HD1 ILE 11 2HD1 ILE 11 1.788 12.335 -2.140 67 3HD1 ILE 11 3HD1 ILE 11 0.119 12.254 -2.686 68 H LEU 12 H LEU 12 0.821 7.761 -6.617 69 HA LEU 12 HA LEU 12 -1.312 9.252 -7.847 70 1HB LEU 12 2HB LEU 12 -0.583 8.870 -10.216 71 2HB LEU 12 1HB LEU 12 0.604 9.854 -9.396 72 HG LEU 12 HG LEU 12 0.934 6.827 -9.528 73 1HD1 LEU 12 1HD1 LEU 12 2.355 7.190 -11.560 74 2HD1 LEU 12 2HD1 LEU 12 1.939 8.896 -11.552 75 3HD1 LEU 12 3HD1 LEU 12 0.702 7.691 -11.871 76 1HD2 LEU 12 1HD2 LEU 12 3.344 7.381 -9.329 77 2HD2 LEU 12 2HD2 LEU 12 2.474 8.018 -7.962 78 3HD2 LEU 12 3HD2 LEU 12 2.964 9.091 -9.261 79 H LYS 13 H LYS 13 -0.639 7.019 -6.217 80 HA LYS 13 HA LYS 13 -2.021 4.763 -7.609 81 1HB LYS 13 2HB LYS 13 -0.045 4.710 -5.283 82 2HB LYS 13 1HB LYS 13 -0.775 3.309 -6.029 83 1HG LYS 13 2HG LYS 13 0.364 3.847 -8.176 84 2HG LYS 13 1HG LYS 13 1.016 5.320 -7.480 85 1HD LYS 13 2HD LYS 13 2.232 3.931 -5.765 86 2HD LYS 13 1HD LYS 13 1.651 2.483 -6.570 87 1HE LYS 13 2HE LYS 13 3.935 3.038 -7.349 88 2HE LYS 13 1HE LYS 13 2.798 3.213 -8.677 89 1HZ LYS 13 1HZ LYS 13 3.466 5.522 -6.977 90 2HZ LYS 13 2HZ LYS 13 2.893 5.493 -8.574 91 3HZ LYS 13 3HZ LYS 13 4.499 5.054 -8.242 92 H LYS 14 H LYS 14 -4.070 4.520 -6.807 93 HA LYS 14 HA LYS 14 -5.018 6.077 -4.636 94 1HB LYS 14 2HB LYS 14 -6.224 3.572 -5.816 95 2HB LYS 14 1HB LYS 14 -7.017 4.667 -4.693 96 1HG LYS 14 2HG LYS 14 -6.715 6.555 -6.271 97 2HG LYS 14 1HG LYS 14 -5.924 5.491 -7.419 98 1HD LYS 14 2HD LYS 14 -8.215 5.781 -8.112 99 2HD LYS 14 1HD LYS 14 -8.025 4.131 -7.544 100 1HE LYS 14 2HE LYS 14 -9.052 4.754 -5.360 101 2HE LYS 14 1HE LYS 14 -9.185 6.425 -5.893 102 1HZ LYS 14 1HZ LYS 14 -10.501 4.083 -7.139 103 2HZ LYS 14 2HZ LYS 14 -10.621 5.686 -7.686 104 3HZ LYS 14 3HZ LYS 14 -11.249 5.258 -6.168 105 H CYS 15 H CYS 15 -5.696 5.587 -2.692 106 HA CYS 15 HA CYS 15 -4.802 3.081 -1.345 107 1HB CYS 15 2HB CYS 15 -3.901 4.428 0.513 108 2HB CYS 15 1HB CYS 15 -3.041 4.659 -0.982 109 H ARG 16 H ARG 16 -6.136 2.298 0.094 110 HA ARG 16 HA ARG 16 -8.748 3.591 0.557 111 1HB ARG 16 2HB ARG 16 -7.638 0.925 1.589 112 2HB ARG 16 1HB ARG 16 -9.314 1.434 1.650 113 1HG ARG 16 2HG ARG 16 -9.417 1.472 -0.831 114 2HG ARG 16 1HG ARG 16 -7.721 1.034 -0.927 115 1HD ARG 16 2HD ARG 16 -9.132 -0.971 -1.239 116 2HD ARG 16 1HD ARG 16 -8.215 -1.113 0.259 117 HE ARG 16 HE ARG 16 -10.760 0.115 0.777 118 1HH1 ARG 16 1HH1 ARG 16 -9.261 -2.913 0.010 119 2HH1 ARG 16 2HH1 ARG 16 -10.493 -3.850 0.786 120 1HH2 ARG 16 1HH2 ARG 16 -12.332 -1.049 1.764 121 2HH2 ARG 16 2HH2 ARG 16 -12.259 -2.780 1.795 122 H ARG 17 H ARG 17 -6.209 2.130 2.424 123 HA ARG 17 HA ARG 17 -6.601 4.007 4.722 124 1HB ARG 17 2HB ARG 17 -5.627 2.178 6.127 125 2HB ARG 17 1HB ARG 17 -7.079 1.624 5.312 126 1HG ARG 17 2HG ARG 17 -5.683 0.597 3.530 127 2HG ARG 17 1HG ARG 17 -4.219 1.125 4.343 128 1HD ARG 17 2HD ARG 17 -4.884 -0.288 6.319 129 2HD ARG 17 1HD ARG 17 -6.257 -0.882 5.389 130 HE ARG 17 HE ARG 17 -3.494 -1.674 5.054 131 1HH1 ARG 17 1HH1 ARG 17 -6.477 -1.161 3.354 132 2HH1 ARG 17 2HH1 ARG 17 -6.064 -2.261 2.083 133 1HH2 ARG 17 1HH2 ARG 17 -2.964 -3.066 3.462 134 2HH2 ARG 17 2HH2 ARG 17 -4.051 -3.358 2.146 135 H ASP 18 H ASP 18 -4.391 4.183 5.965 136 HA ASP 18 HA ASP 18 -2.537 5.465 4.345 137 1HB ASP 18 2HB ASP 18 -2.279 4.237 7.104 138 2HB ASP 18 1HB ASP 18 -1.144 5.377 6.418 139 H SER 19 H SER 19 -2.284 2.278 5.799 140 HA SER 19 HA SER 19 0.220 1.624 4.512 141 1HB SER 19 2HB SER 19 -0.192 -0.603 5.516 142 2HB SER 19 1HB SER 19 -0.489 0.719 6.673 143 HG SER 19 HG SER 19 -2.719 0.626 5.889 144 H ASP 20 H ASP 20 -2.581 1.995 3.090 145 HA ASP 20 HA ASP 20 -2.801 -0.418 1.433 146 1HB ASP 20 2HB ASP 20 -4.679 1.340 1.951 147 2HB ASP 20 1HB ASP 20 -3.940 2.276 0.684 148 H CYS 21 H CYS 21 -0.952 2.385 1.518 149 HA CYS 21 HA CYS 21 -0.214 2.496 -1.332 150 1HB CYS 21 2HB CYS 21 -0.430 4.528 -0.038 151 2HB CYS 21 1HB CYS 21 0.836 3.995 1.046 152 HA PRO 22 HA PRO 22 3.265 -0.285 -0.542 153 1HB PRO 22 2HB PRO 22 4.842 0.758 -2.739 154 2HB PRO 22 1HB PRO 22 3.925 -0.738 -2.670 155 1HG PRO 22 2HG PRO 22 3.280 1.521 -4.235 156 2HG PRO 22 1HG PRO 22 2.202 0.176 -3.893 157 1HD PRO 22 2HD PRO 22 2.248 2.898 -2.697 158 2HD PRO 22 1HD PRO 22 0.882 1.793 -2.848 159 H GLY 23 H GLY 23 5.660 -0.143 -0.071 160 1HA GLY 23 2HA GLY 23 7.520 0.934 0.938 161 2HA GLY 23 1HA GLY 23 6.889 2.453 0.312 162 H ALA 24 H ALA 24 7.684 3.295 2.243 163 HA ALA 24 HA ALA 24 6.329 2.654 4.784 164 1HB ALA 24 1HB ALA 24 8.752 3.184 4.716 165 2HB ALA 24 2HB ALA 24 7.895 4.375 5.684 166 3HB ALA 24 3HB ALA 24 8.395 4.765 4.041 167 H CYS 25 H CYS 25 5.096 3.789 2.313 168 HA CYS 25 HA CYS 25 4.233 6.474 2.737 169 1HB CYS 25 2HB CYS 25 2.926 4.238 1.223 170 2HB CYS 25 1HB CYS 25 2.531 5.920 1.029 171 H ILE 26 H ILE 26 1.994 7.042 2.761 172 HA ILE 26 HA ILE 26 0.213 5.573 4.633 173 HB ILE 26 HB ILE 26 -0.348 7.855 5.665 174 1HG1 ILE 26 2HG1 ILE 26 0.854 9.168 3.767 175 2HG1 ILE 26 1HG1 ILE 26 0.926 9.776 5.402 176 1HG2 ILE 26 1HG2 ILE 26 1.552 7.830 7.256 177 2HG2 ILE 26 2HG2 ILE 26 2.430 6.753 6.180 178 3HG2 ILE 26 3HG2 ILE 26 0.933 6.224 6.921 179 1HD1 ILE 26 1HD1 ILE 26 3.157 8.158 4.079 180 2HD1 ILE 26 2HD1 ILE 26 3.191 8.838 5.694 181 3HD1 ILE 26 3HD1 ILE 26 3.115 9.892 4.303 182 H CYS 27 H CYS 27 -1.863 7.449 4.492 183 HA CYS 27 HA CYS 27 -2.298 7.721 1.534 184 1HB CYS 27 2HB CYS 27 -3.427 5.805 2.484 185 2HB CYS 27 1HB CYS 27 -4.300 6.822 3.602 186 H ARG 28 H ARG 28 -2.835 9.552 0.815 187 HA ARG 28 HA ARG 28 -3.352 11.846 2.553 188 1HB ARG 28 2HB ARG 28 -3.519 11.626 -0.454 189 2HB ARG 28 1HB ARG 28 -3.494 13.126 0.435 190 1HG ARG 28 2HG ARG 28 -1.256 11.091 0.504 191 2HG ARG 28 1HG ARG 28 -1.265 12.474 -0.563 192 1HD ARG 28 2HD ARG 28 -1.429 13.974 1.508 193 2HD ARG 28 1HD ARG 28 -1.256 12.532 2.498 194 HE ARG 28 HE ARG 28 1.027 12.524 2.026 195 1HH1 ARG 28 1HH1 ARG 28 -0.659 14.463 -0.301 196 2HH1 ARG 28 2HH1 ARG 28 0.796 15.040 -1.040 197 1HH2 ARG 28 1HH2 ARG 28 2.885 13.255 1.104 198 2HH2 ARG 28 2HH2 ARG 28 2.823 14.343 -0.241 199 H GLY 29 H GLY 29 -5.135 13.342 1.974 200 1HA GLY 29 2HA GLY 29 -7.694 12.011 2.367 201 2HA GLY 29 1HA GLY 29 -7.431 13.749 2.261 202 H ASN 30 H ASN 30 -5.933 12.927 -0.370 203 HA ASN 30 HA ASN 30 -8.192 13.501 -2.128 204 1HB ASN 30 2HB ASN 30 -6.379 13.455 -3.916 205 2HB ASN 30 1HB ASN 30 -6.076 14.580 -2.604 206 1HD2 ASN 30 1HD2 ASN 30 -3.870 14.550 -2.229 207 2HD2 ASN 30 2HD2 ASN 30 -2.921 13.150 -2.096 208 H GLY 31 H GLY 31 -7.020 10.687 -0.836 209 1HA GLY 31 2HA GLY 31 -7.900 8.516 -1.210 210 2HA GLY 31 1HA GLY 31 -8.506 9.031 -2.775 211 H TYR 32 H TYR 32 -5.245 9.746 -1.962 212 HA TYR 32 HA TYR 32 -4.170 7.376 -3.395 213 1HB TYR 32 2HB TYR 32 -3.478 10.261 -4.128 214 2HB TYR 32 1HB TYR 32 -2.597 8.867 -4.685 215 HD1 TYR 32 HD1 TYR 32 -3.248 7.733 -6.607 216 HD2 TYR 32 HD2 TYR 32 -6.034 10.364 -4.765 217 HE1 TYR 32 HE1 TYR 32 -4.744 7.466 -8.517 218 HE2 TYR 32 HE2 TYR 32 -7.541 10.097 -6.678 219 HH TYR 32 HH TYR 32 -7.519 7.756 -8.722 220 H CYS 33 H CYS 33 -1.981 7.127 -3.158 221 HA CYS 33 HA CYS 33 -0.940 7.009 -0.638 222 1HB CYS 33 2HB CYS 33 0.412 7.293 -3.319 223 2HB CYS 33 1HB CYS 33 1.398 7.180 -1.896 224 H GLY 34 H GLY 34 0.849 8.006 0.458 225 1HA GLY 34 2HA GLY 34 1.371 10.865 -0.099 226 2HA GLY 34 1HA GLY 34 0.516 10.494 1.389 Start of MODEL 2 1 H SER 1 H SER 1 1.338 12.109 0.837 2 HA SER 1 HA SER 1 1.229 13.150 2.894 3 1HB SER 1 2HB SER 1 0.838 10.287 3.965 4 2HB SER 1 1HB SER 1 0.494 11.769 4.857 5 HG SER 1 HG SER 1 -0.688 10.810 2.484 6 H GLY 2 H GLY 2 2.425 10.833 4.863 7 1HA GLY 2 2HA GLY 2 4.498 10.390 5.887 8 2HA GLY 2 1HA GLY 2 5.263 10.916 4.391 9 H SER 3 H SER 3 3.109 12.769 6.441 10 HA SER 3 HA SER 3 5.107 14.931 6.675 11 1HB SER 3 2HB SER 3 2.174 14.797 7.531 12 2HB SER 3 1HB SER 3 3.183 16.254 7.564 13 HG SER 3 HG SER 3 2.686 14.611 5.306 14 H ASP 4 H ASP 4 6.194 15.407 8.429 15 HA ASP 4 HA ASP 4 7.196 15.202 10.507 16 1HB ASP 4 2HB ASP 4 5.041 16.400 11.052 17 2HB ASP 4 1HB ASP 4 4.281 14.857 11.390 18 H GLY 5 H GLY 5 6.664 12.733 8.948 19 1HA GLY 5 2HA GLY 5 7.951 10.754 10.249 20 2HA GLY 5 1HA GLY 5 6.331 10.600 10.945 21 H GLY 6 H GLY 6 8.023 8.975 8.945 22 1HA GLY 6 2HA GLY 6 7.326 7.395 7.353 23 2HA GLY 6 1HA GLY 6 5.775 8.223 7.223 24 H VAL 7 H VAL 7 7.775 7.304 5.229 25 HA VAL 7 HA VAL 7 8.071 9.861 3.690 26 HB VAL 7 HB VAL 7 10.038 7.517 3.757 27 1HG1 VAL 7 1HG1 VAL 7 10.206 10.192 2.290 28 2HG1 VAL 7 2HG1 VAL 7 9.965 8.630 1.523 29 3HG1 VAL 7 3HG1 VAL 7 11.474 8.978 2.341 30 1HG2 VAL 7 1HG2 VAL 7 10.314 10.357 4.841 31 2HG2 VAL 7 2HG2 VAL 7 11.584 9.144 4.834 32 3HG2 VAL 7 3HG2 VAL 7 10.153 8.906 5.818 33 H CYS 8 H CYS 8 7.667 9.743 1.516 34 HA CYS 8 HA CYS 8 6.911 7.158 0.314 35 1HB CYS 8 2HB CYS 8 4.870 8.110 1.423 36 2HB CYS 8 1HB CYS 8 4.992 9.486 0.374 37 HA PRO 9 HA PRO 9 8.384 9.600 -3.244 38 1HB PRO 9 2HB PRO 9 7.945 7.624 -5.171 39 2HB PRO 9 1HB PRO 9 9.417 7.817 -4.231 40 1HG PRO 9 2HG PRO 9 7.359 5.743 -4.002 41 2HG PRO 9 1HG PRO 9 8.972 5.776 -3.303 42 1HD PRO 9 2HD PRO 9 6.447 6.320 -1.980 43 2HD PRO 9 1HD PRO 9 8.075 6.310 -1.261 44 H LYS 10 H LYS 10 7.310 10.883 -4.547 45 HA LYS 10 HA LYS 10 4.504 11.200 -4.437 46 1HB LYS 10 2HB LYS 10 4.958 12.816 -6.413 47 2HB LYS 10 1HB LYS 10 5.803 13.116 -4.908 48 1HG LYS 10 2HG LYS 10 7.851 12.101 -5.751 49 2HG LYS 10 1HG LYS 10 7.062 11.494 -7.180 50 1HD LYS 10 2HD LYS 10 8.338 13.486 -7.777 51 2HD LYS 10 1HD LYS 10 6.638 13.887 -7.894 52 1HE LYS 10 2HE LYS 10 6.728 14.980 -5.657 53 2HE LYS 10 1HE LYS 10 8.425 14.537 -5.505 54 1HZ LYS 10 1HZ LYS 10 7.284 16.250 -7.635 55 2HZ LYS 10 2HZ LYS 10 8.926 15.867 -7.424 56 3HZ LYS 10 3HZ LYS 10 8.117 16.806 -6.263 57 H ILE 11 H ILE 11 3.106 9.761 -5.175 58 HA ILE 11 HA ILE 11 3.189 8.973 -8.041 59 HB ILE 11 HB ILE 11 2.581 6.606 -7.415 60 1HG1 ILE 11 2HG1 ILE 11 3.242 7.514 -4.568 61 2HG1 ILE 11 1HG1 ILE 11 1.652 7.097 -5.163 62 1HG2 ILE 11 1HG2 ILE 11 5.245 7.567 -6.268 63 2HG2 ILE 11 2HG2 ILE 11 4.927 7.209 -7.956 64 3HG2 ILE 11 3HG2 ILE 11 4.886 5.927 -6.769 65 1HD1 ILE 11 1HD1 ILE 11 2.407 4.775 -5.614 66 2HD1 ILE 11 2HD1 ILE 11 2.638 5.200 -3.928 67 3HD1 ILE 11 3HD1 ILE 11 4.009 5.169 -5.011 68 H LEU 12 H LEU 12 1.184 8.131 -8.812 69 HA LEU 12 HA LEU 12 -1.179 9.373 -7.468 70 1HB LEU 12 2HB LEU 12 -2.192 9.420 -9.744 71 2HB LEU 12 1HB LEU 12 -0.712 10.340 -9.666 72 HG LEU 12 HG LEU 12 -0.520 7.448 -10.593 73 1HD1 LEU 12 1HD1 LEU 12 -1.013 8.189 -12.918 74 2HD1 LEU 12 2HD1 LEU 12 -1.391 9.804 -12.341 75 3HD1 LEU 12 3HD1 LEU 12 -2.414 8.448 -11.896 76 1HD2 LEU 12 1HD2 LEU 12 0.893 10.023 -11.460 77 2HD2 LEU 12 2HD2 LEU 12 1.296 8.402 -11.993 78 3HD2 LEU 12 3HD2 LEU 12 1.578 8.874 -10.334 79 H LYS 13 H LYS 13 -0.277 6.937 -6.586 80 HA LYS 13 HA LYS 13 -1.981 4.809 -7.742 81 1HB LYS 13 2HB LYS 13 0.385 4.427 -6.890 82 2HB LYS 13 1HB LYS 13 -0.191 4.765 -5.281 83 1HG LYS 13 2HG LYS 13 -1.811 2.891 -5.402 84 2HG LYS 13 1HG LYS 13 -1.293 2.525 -7.034 85 1HD LYS 13 2HD LYS 13 0.506 2.447 -4.573 86 2HD LYS 13 1HD LYS 13 -0.250 1.037 -5.284 87 1HE LYS 13 2HE LYS 13 1.805 2.836 -6.662 88 2HE LYS 13 1HE LYS 13 2.076 1.211 -6.063 89 1HZ LYS 13 1HZ LYS 13 0.387 2.056 -8.319 90 2HZ LYS 13 2HZ LYS 13 0.220 0.527 -7.597 91 3HZ LYS 13 3HZ LYS 13 1.694 0.972 -8.316 92 H LYS 14 H LYS 14 -3.837 4.008 -6.634 93 HA LYS 14 HA LYS 14 -5.017 5.891 -4.739 94 1HB LYS 14 2HB LYS 14 -6.052 3.261 -5.815 95 2HB LYS 14 1HB LYS 14 -6.947 4.370 -4.791 96 1HG LYS 14 2HG LYS 14 -6.776 6.159 -6.428 97 2HG LYS 14 1HG LYS 14 -5.798 5.154 -7.491 98 1HD LYS 14 2HD LYS 14 -7.703 3.563 -7.710 99 2HD LYS 14 1HD LYS 14 -8.657 4.554 -6.618 100 1HE LYS 14 2HE LYS 14 -9.220 5.036 -8.997 101 2HE LYS 14 1HE LYS 14 -8.547 6.455 -8.211 102 1HZ LYS 14 1HZ LYS 14 -6.538 6.204 -9.296 103 2HZ LYS 14 2HZ LYS 14 -7.679 5.813 -10.494 104 3HZ LYS 14 3HZ LYS 14 -6.827 4.579 -9.695 105 H CYS 15 H CYS 15 -5.792 5.433 -2.785 106 HA CYS 15 HA CYS 15 -4.854 3.062 -1.258 107 1HB CYS 15 2HB CYS 15 -3.962 4.447 0.524 108 2HB CYS 15 1HB CYS 15 -3.134 4.779 -0.968 109 H ARG 16 H ARG 16 -6.303 2.373 0.144 110 HA ARG 16 HA ARG 16 -8.860 3.850 0.448 111 1HB ARG 16 2HB ARG 16 -8.056 0.981 1.157 112 2HB ARG 16 1HB ARG 16 -9.648 1.648 1.442 113 1HG ARG 16 2HG ARG 16 -9.901 0.537 -0.628 114 2HG ARG 16 1HG ARG 16 -9.708 2.211 -1.088 115 1HD ARG 16 2HD ARG 16 -7.138 1.593 -1.424 116 2HD ARG 16 1HD ARG 16 -7.703 -0.058 -1.316 117 HE ARG 16 HE ARG 16 -8.625 0.169 -3.447 118 1HH1 ARG 16 1HH1 ARG 16 -7.970 3.272 -2.051 119 2HH1 ARG 16 2HH1 ARG 16 -8.332 4.135 -3.506 120 1HH2 ARG 16 1HH2 ARG 16 -9.087 1.247 -5.311 121 2HH2 ARG 16 2HH2 ARG 16 -8.971 2.974 -5.380 122 H ARG 17 H ARG 17 -6.275 2.390 2.248 123 HA ARG 17 HA ARG 17 -6.899 4.039 4.655 124 1HB ARG 17 2HB ARG 17 -6.051 2.150 6.040 125 2HB ARG 17 1HB ARG 17 -7.501 1.700 5.168 126 1HG ARG 17 2HG ARG 17 -6.173 0.488 3.481 127 2HG ARG 17 1HG ARG 17 -4.671 1.035 4.215 128 1HD ARG 17 2HD ARG 17 -6.727 -0.705 5.635 129 2HD ARG 17 1HD ARG 17 -5.246 -1.298 4.884 130 HE ARG 17 HE ARG 17 -4.572 0.818 6.671 131 1HH1 ARG 17 1HH1 ARG 17 -5.750 -2.442 6.673 132 2HH1 ARG 17 2HH1 ARG 17 -5.070 -2.804 8.223 133 1HH2 ARG 17 1HH2 ARG 17 -3.703 0.382 8.626 134 2HH2 ARG 17 2HH2 ARG 17 -3.893 -1.181 9.349 135 H ASP 18 H ASP 18 -4.902 4.254 6.032 136 HA ASP 18 HA ASP 18 -2.862 5.528 4.730 137 1HB ASP 18 2HB ASP 18 -2.959 4.119 7.398 138 2HB ASP 18 1HB ASP 18 -1.672 5.204 6.931 139 H SER 19 H SER 19 -2.709 2.205 5.919 140 HA SER 19 HA SER 19 -0.108 1.798 4.587 141 1HB SER 19 2HB SER 19 -0.155 -0.337 5.763 142 2HB SER 19 1HB SER 19 -0.512 1.038 6.845 143 HG SER 19 HG SER 19 -2.016 -0.823 6.933 144 H ASP 20 H ASP 20 -2.532 2.128 3.094 145 HA ASP 20 HA ASP 20 -3.050 -0.460 1.727 146 1HB ASP 20 2HB ASP 20 -4.810 1.398 2.080 147 2HB ASP 20 1HB ASP 20 -3.987 2.266 0.811 148 H CYS 21 H CYS 21 -0.989 2.175 1.609 149 HA CYS 21 HA CYS 21 -0.255 2.003 -1.226 150 1HB CYS 21 2HB CYS 21 -0.348 4.135 0.002 151 2HB CYS 21 1HB CYS 21 0.995 3.597 0.989 152 HA PRO 22 HA PRO 22 3.333 -0.630 -0.239 153 1HB PRO 22 2HB PRO 22 4.783 0.214 -2.595 154 2HB PRO 22 1HB PRO 22 3.933 -1.300 -2.326 155 1HG PRO 22 2HG PRO 22 3.150 0.731 -4.116 156 2HG PRO 22 1HG PRO 22 2.127 -0.596 -3.578 157 1HD PRO 22 2HD PRO 22 2.168 2.245 -2.684 158 2HD PRO 22 1HD PRO 22 0.796 1.135 -2.704 159 H GLY 23 H GLY 23 5.683 -0.315 0.143 160 1HA GLY 23 2HA GLY 23 7.534 0.941 0.931 161 2HA GLY 23 1HA GLY 23 6.799 2.369 0.200 162 H ALA 24 H ALA 24 7.633 3.383 2.070 163 HA ALA 24 HA ALA 24 6.286 2.886 4.651 164 1HB ALA 24 1HB ALA 24 8.349 4.956 3.778 165 2HB ALA 24 2HB ALA 24 8.703 3.431 4.568 166 3HB ALA 24 3HB ALA 24 7.833 4.685 5.438 167 H CYS 25 H CYS 25 5.017 3.823 2.106 168 HA CYS 25 HA CYS 25 4.149 6.537 2.437 169 1HB CYS 25 2HB CYS 25 3.042 4.248 0.861 170 2HB CYS 25 1HB CYS 25 2.411 5.864 0.726 171 H ILE 26 H ILE 26 2.168 7.377 2.822 172 HA ILE 26 HA ILE 26 0.343 5.774 4.558 173 HB ILE 26 HB ILE 26 0.071 8.653 4.973 174 1HG1 ILE 26 2HG1 ILE 26 2.510 8.817 4.317 175 2HG1 ILE 26 1HG1 ILE 26 2.149 9.329 5.943 176 1HG2 ILE 26 1HG2 ILE 26 0.480 8.037 7.312 177 2HG2 ILE 26 2HG2 ILE 26 0.985 6.431 6.787 178 3HG2 ILE 26 3HG2 ILE 26 -0.662 6.974 6.501 179 1HD1 ILE 26 1HD1 ILE 26 4.234 8.003 5.811 180 2HD1 ILE 26 2HD1 ILE 26 3.351 6.620 5.220 181 3HD1 ILE 26 3HD1 ILE 26 3.058 7.209 6.841 182 H CYS 27 H CYS 27 -1.927 7.030 4.417 183 HA CYS 27 HA CYS 27 -2.399 7.419 1.495 184 1HB CYS 27 2HB CYS 27 -3.604 5.683 2.689 185 2HB CYS 27 1HB CYS 27 -4.365 6.871 3.718 186 H ARG 28 H ARG 28 -2.554 9.351 0.759 187 HA ARG 28 HA ARG 28 -2.839 11.712 2.385 188 1HB ARG 28 2HB ARG 28 -3.246 11.361 -0.583 189 2HB ARG 28 1HB ARG 28 -3.165 12.916 0.205 190 1HG ARG 28 2HG ARG 28 -0.878 12.428 1.010 191 2HG ARG 28 1HG ARG 28 -0.919 10.863 0.214 192 1HD ARG 28 2HD ARG 28 -1.281 13.523 -1.243 193 2HD ARG 28 1HD ARG 28 0.258 12.677 -1.117 194 HE ARG 28 HE ARG 28 -1.723 10.877 -2.128 195 1HH1 ARG 28 1HH1 ARG 28 0.130 13.671 -3.001 196 2HH1 ARG 28 2HH1 ARG 28 0.143 13.279 -4.687 197 1HH2 ARG 28 1HH2 ARG 28 -1.705 10.355 -4.261 198 2HH2 ARG 28 2HH2 ARG 28 -0.921 11.381 -5.414 199 H GLY 29 H GLY 29 -4.484 13.363 1.880 200 1HA GLY 29 2HA GLY 29 -7.099 12.428 2.684 201 2HA GLY 29 1HA GLY 29 -6.673 14.091 2.299 202 H ASN 30 H ASN 30 -5.628 12.841 -0.340 203 HA ASN 30 HA ASN 30 -8.102 13.331 -1.848 204 1HB ASN 30 2HB ASN 30 -6.524 13.088 -3.840 205 2HB ASN 30 1HB ASN 30 -6.096 14.358 -2.707 206 1HD2 ASN 30 1HD2 ASN 30 -3.850 14.392 -2.782 207 2HD2 ASN 30 2HD2 ASN 30 -2.856 13.038 -2.541 208 H GLY 31 H GLY 31 -6.593 10.642 -0.543 209 1HA GLY 31 2HA GLY 31 -7.457 8.428 -0.563 210 2HA GLY 31 1HA GLY 31 -8.374 8.799 -2.017 211 H TYR 32 H TYR 32 -4.998 9.529 -1.666 212 HA TYR 32 HA TYR 32 -4.169 7.184 -3.287 213 1HB TYR 32 2HB TYR 32 -3.466 10.055 -3.983 214 2HB TYR 32 1HB TYR 32 -2.769 8.671 -4.761 215 HD1 TYR 32 HD1 TYR 32 -3.788 7.726 -6.657 216 HD2 TYR 32 HD2 TYR 32 -6.083 10.331 -4.198 217 HE1 TYR 32 HE1 TYR 32 -5.586 7.695 -8.308 218 HE2 TYR 32 HE2 TYR 32 -7.885 10.299 -5.851 219 HH TYR 32 HH TYR 32 -8.606 8.484 -7.752 220 H CYS 33 H CYS 33 -2.014 6.782 -3.237 221 HA CYS 33 HA CYS 33 -0.716 6.813 -0.785 222 1HB CYS 33 2HB CYS 33 0.351 6.591 -3.593 223 2HB CYS 33 1HB CYS 33 1.457 6.524 -2.267 224 H GLY 34 H GLY 34 0.951 7.888 0.172 225 1HA GLY 34 2HA GLY 34 2.721 9.728 -0.472 226 2HA GLY 34 1HA GLY 34 1.283 10.712 -0.680 Start of MODEL 3 1 H SER 1 H SER 1 2.804 11.970 1.419 2 HA SER 1 HA SER 1 4.918 10.238 2.635 3 1HB SER 1 2HB SER 1 5.572 11.202 0.296 4 2HB SER 1 1HB SER 1 5.392 12.800 1.006 5 HG SER 1 HG SER 1 6.911 10.812 2.295 6 H GLY 2 H GLY 2 5.391 10.870 4.683 7 1HA GLY 2 2HA GLY 2 5.740 13.442 5.673 8 2HA GLY 2 1HA GLY 2 4.017 13.163 5.846 9 H SER 3 H SER 3 5.209 10.180 6.320 10 HA SER 3 HA SER 3 5.099 10.498 9.255 11 1HB SER 3 2HB SER 3 5.167 8.019 7.475 12 2HB SER 3 1HB SER 3 5.033 7.978 9.244 13 HG SER 3 HG SER 3 3.216 9.305 9.082 14 H ASP 4 H ASP 4 6.651 9.932 10.657 15 HA ASP 4 HA ASP 4 9.386 10.342 9.910 16 1HB ASP 4 2HB ASP 4 8.208 9.215 12.488 17 2HB ASP 4 1HB ASP 4 9.853 9.806 12.305 18 H GLY 5 H GLY 5 7.448 7.561 9.863 19 1HA GLY 5 2HA GLY 5 9.278 5.469 10.427 20 2HA GLY 5 1HA GLY 5 7.884 5.327 9.357 21 H GLY 6 H GLY 6 8.810 7.413 7.569 22 1HA GLY 6 2HA GLY 6 11.386 6.931 6.479 23 2HA GLY 6 1HA GLY 6 10.222 5.889 5.648 24 H VAL 7 H VAL 7 10.091 6.870 3.747 25 HA VAL 7 HA VAL 7 8.735 9.494 3.563 26 HB VAL 7 HB VAL 7 11.331 8.878 2.042 27 1HG1 VAL 7 1HG1 VAL 7 9.564 11.369 2.025 28 2HG1 VAL 7 2HG1 VAL 7 9.708 10.219 0.707 29 3HG1 VAL 7 3HG1 VAL 7 11.086 11.198 1.165 30 1HG2 VAL 7 1HG2 VAL 7 11.814 9.507 4.393 31 2HG2 VAL 7 2HG2 VAL 7 10.818 10.946 4.224 32 3HG2 VAL 7 3HG2 VAL 7 12.304 10.784 3.301 33 H CYS 8 H CYS 8 7.249 9.432 1.966 34 HA CYS 8 HA CYS 8 7.012 6.929 0.435 35 1HB CYS 8 2HB CYS 8 5.051 7.940 1.587 36 2HB CYS 8 1HB CYS 8 5.117 9.293 0.504 37 HA PRO 9 HA PRO 9 8.311 9.085 -3.394 38 1HB PRO 9 2HB PRO 9 7.835 6.752 -4.949 39 2HB PRO 9 1HB PRO 9 9.394 7.305 -4.358 40 1HG PRO 9 2HG PRO 9 7.816 5.032 -3.444 41 2HG PRO 9 1HG PRO 9 9.465 5.462 -3.016 42 1HD PRO 9 2HD PRO 9 7.083 5.773 -1.403 43 2HD PRO 9 1HD PRO 9 8.743 6.215 -0.965 44 H LYS 10 H LYS 10 6.657 10.392 -3.858 45 HA LYS 10 HA LYS 10 3.893 9.609 -3.787 46 1HB LYS 10 2HB LYS 10 5.256 12.078 -4.922 47 2HB LYS 10 1HB LYS 10 3.524 11.938 -4.743 48 1HG LYS 10 2HG LYS 10 5.603 11.840 -2.501 49 2HG LYS 10 1HG LYS 10 4.504 13.161 -2.817 50 1HD LYS 10 2HD LYS 10 3.757 10.366 -1.824 51 2HD LYS 10 1HD LYS 10 3.646 11.868 -0.942 52 1HE LYS 10 2HE LYS 10 1.991 11.240 -3.426 53 2HE LYS 10 1HE LYS 10 1.432 11.161 -1.775 54 1HZ LYS 10 1HZ LYS 10 0.855 13.238 -2.879 55 2HZ LYS 10 2HZ LYS 10 2.506 13.602 -3.051 56 3HZ LYS 10 3HZ LYS 10 1.818 13.483 -1.501 57 H ILE 11 H ILE 11 2.706 8.675 -5.187 58 HA ILE 11 HA ILE 11 3.192 8.916 -8.108 59 HB ILE 11 HB ILE 11 2.811 6.497 -8.394 60 1HG1 ILE 11 2HG1 ILE 11 1.455 6.095 -6.308 61 2HG1 ILE 11 1HG1 ILE 11 2.676 4.900 -6.651 62 1HG2 ILE 11 1HG2 ILE 11 5.120 7.246 -8.269 63 2HG2 ILE 11 2HG2 ILE 11 4.978 5.661 -7.531 64 3HG2 ILE 11 3HG2 ILE 11 5.130 7.088 -6.523 65 1HD1 ILE 11 1HD1 ILE 11 2.953 7.061 -4.528 66 2HD1 ILE 11 2HD1 ILE 11 4.146 5.829 -4.925 67 3HD1 ILE 11 3HD1 ILE 11 2.593 5.374 -4.268 68 H LEU 12 H LEU 12 1.315 7.917 -9.271 69 HA LEU 12 HA LEU 12 -1.155 9.082 -8.170 70 1HB LEU 12 2HB LEU 12 -2.073 8.759 -10.448 71 2HB LEU 12 1HB LEU 12 -0.554 9.609 -10.497 72 HG LEU 12 HG LEU 12 -0.433 6.595 -10.841 73 1HD1 LEU 12 1HD1 LEU 12 -1.295 8.549 -13.032 74 2HD1 LEU 12 2HD1 LEU 12 -2.326 7.323 -12.312 75 3HD1 LEU 12 3HD1 LEU 12 -0.935 6.846 -13.265 76 1HD2 LEU 12 1HD2 LEU 12 1.689 8.013 -10.908 77 2HD2 LEU 12 2HD2 LEU 12 0.998 8.916 -12.236 78 3HD2 LEU 12 3HD2 LEU 12 1.374 7.214 -12.426 79 H LYS 13 H LYS 13 -0.300 6.739 -6.887 80 HA LYS 13 HA LYS 13 -2.229 4.630 -7.716 81 1HB LYS 13 2HB LYS 13 -0.047 4.657 -5.601 82 2HB LYS 13 1HB LYS 13 -1.139 3.315 -5.847 83 1HG LYS 13 2HG LYS 13 -0.358 3.162 -8.235 84 2HG LYS 13 1HG LYS 13 0.790 4.452 -7.927 85 1HD LYS 13 2HD LYS 13 1.801 3.018 -6.078 86 2HD LYS 13 1HD LYS 13 0.701 1.735 -6.534 87 1HE LYS 13 2HE LYS 13 2.768 2.980 -8.396 88 2HE LYS 13 1HE LYS 13 2.925 1.421 -7.599 89 1HZ LYS 13 1HZ LYS 13 0.780 0.819 -8.726 90 2HZ LYS 13 2HZ LYS 13 2.143 0.974 -9.729 91 3HZ LYS 13 3HZ LYS 13 0.983 2.214 -9.674 92 H LYS 14 H LYS 14 -4.110 4.349 -6.722 93 HA LYS 14 HA LYS 14 -4.943 6.191 -4.653 94 1HB LYS 14 2HB LYS 14 -6.335 3.750 -5.765 95 2HB LYS 14 1HB LYS 14 -7.063 4.930 -4.690 96 1HG LYS 14 2HG LYS 14 -6.689 6.731 -6.315 97 2HG LYS 14 1HG LYS 14 -5.930 5.618 -7.439 98 1HD LYS 14 2HD LYS 14 -8.816 5.441 -6.465 99 2HD LYS 14 1HD LYS 14 -8.321 6.113 -8.004 100 1HE LYS 14 2HE LYS 14 -7.349 3.894 -8.649 101 2HE LYS 14 1HE LYS 14 -7.911 3.217 -7.126 102 1HZ LYS 14 1HZ LYS 14 -9.445 2.765 -8.899 103 2HZ LYS 14 2HZ LYS 14 -9.627 4.426 -9.208 104 3HZ LYS 14 3HZ LYS 14 -10.162 3.773 -7.734 105 H CYS 15 H CYS 15 -5.661 5.694 -2.661 106 HA CYS 15 HA CYS 15 -4.862 3.117 -1.391 107 1HB CYS 15 2HB CYS 15 -3.859 4.388 0.484 108 2HB CYS 15 1HB CYS 15 -3.006 4.578 -1.023 109 H ARG 16 H ARG 16 -6.289 2.366 0.006 110 HA ARG 16 HA ARG 16 -8.743 3.918 0.567 111 1HB ARG 16 2HB ARG 16 -9.638 1.768 1.328 112 2HB ARG 16 1HB ARG 16 -8.816 1.525 -0.196 113 1HG ARG 16 2HG ARG 16 -6.732 0.928 1.347 114 2HG ARG 16 1HG ARG 16 -7.945 0.714 2.591 115 1HD ARG 16 2HD ARG 16 -7.537 -1.437 1.532 116 2HD ARG 16 1HD ARG 16 -9.148 -0.905 1.042 117 HE ARG 16 HE ARG 16 -7.552 0.132 -0.934 118 1HH1 ARG 16 1HH1 ARG 16 -7.870 -3.028 0.459 119 2HH1 ARG 16 2HH1 ARG 16 -7.404 -3.835 -0.999 120 1HH2 ARG 16 1HH2 ARG 16 -6.961 -0.864 -2.777 121 2HH2 ARG 16 2HH2 ARG 16 -6.883 -2.592 -2.863 122 H ARG 17 H ARG 17 -5.964 2.572 2.137 123 HA ARG 17 HA ARG 17 -6.458 4.136 4.614 124 1HB ARG 17 2HB ARG 17 -5.548 2.235 5.929 125 2HB ARG 17 1HB ARG 17 -7.034 1.766 5.126 126 1HG ARG 17 2HG ARG 17 -5.745 0.626 3.359 127 2HG ARG 17 1HG ARG 17 -4.228 1.175 4.058 128 1HD ARG 17 2HD ARG 17 -4.737 -0.143 6.108 129 2HD ARG 17 1HD ARG 17 -6.217 -0.731 5.344 130 HE ARG 17 HE ARG 17 -4.272 -1.291 3.473 131 1HH1 ARG 17 1HH1 ARG 17 -4.671 -1.977 6.847 132 2HH1 ARG 17 2HH1 ARG 17 -3.777 -3.457 6.764 133 1HH2 ARG 17 1HH2 ARG 17 -3.142 -3.155 3.346 134 2HH2 ARG 17 2HH2 ARG 17 -2.899 -4.136 4.753 135 H ASP 18 H ASP 18 -4.327 4.274 5.857 136 HA ASP 18 HA ASP 18 -2.383 5.519 4.351 137 1HB ASP 18 2HB ASP 18 -2.252 4.190 7.066 138 2HB ASP 18 1HB ASP 18 -1.049 5.303 6.458 139 H SER 19 H SER 19 -2.174 2.293 5.725 140 HA SER 19 HA SER 19 0.341 1.666 4.460 141 1HB SER 19 2HB SER 19 -0.100 -0.595 5.390 142 2HB SER 19 1HB SER 19 -0.403 0.696 6.578 143 HG SER 19 HG SER 19 -2.335 -0.525 4.898 144 H ASP 20 H ASP 20 -2.531 1.985 3.030 145 HA ASP 20 HA ASP 20 -2.569 -0.383 1.309 146 1HB ASP 20 2HB ASP 20 -4.566 1.316 1.855 147 2HB ASP 20 1HB ASP 20 -3.900 2.202 0.515 148 H CYS 21 H CYS 21 -0.815 2.428 1.470 149 HA CYS 21 HA CYS 21 -0.150 2.718 -1.391 150 1HB CYS 21 2HB CYS 21 -0.354 4.675 0.008 151 2HB CYS 21 1HB CYS 21 0.922 4.092 1.054 152 HA PRO 22 HA PRO 22 3.349 -0.098 -0.864 153 1HB PRO 22 2HB PRO 22 4.909 1.171 -2.969 154 2HB PRO 22 1HB PRO 22 4.055 -0.363 -3.007 155 1HG PRO 22 2HG PRO 22 3.310 1.959 -4.411 156 2HG PRO 22 1HG PRO 22 2.268 0.571 -4.128 157 1HD PRO 22 2HD PRO 22 2.280 3.220 -2.774 158 2HD PRO 22 1HD PRO 22 0.931 2.100 -2.972 159 H GLY 23 H GLY 23 5.693 -0.031 -0.297 160 1HA GLY 23 2HA GLY 23 7.567 0.942 0.803 161 2HA GLY 23 1HA GLY 23 6.974 2.511 0.273 162 H ALA 24 H ALA 24 7.729 3.208 2.297 163 HA ALA 24 HA ALA 24 6.301 2.379 4.739 164 1HB ALA 24 1HB ALA 24 7.846 4.022 5.809 165 2HB ALA 24 2HB ALA 24 8.388 4.536 4.212 166 3HB ALA 24 3HB ALA 24 8.724 2.905 4.773 167 H CYS 25 H CYS 25 5.179 3.757 2.304 168 HA CYS 25 HA CYS 25 4.324 6.383 2.872 169 1HB CYS 25 2HB CYS 25 3.035 4.232 1.233 170 2HB CYS 25 1HB CYS 25 2.583 5.909 1.158 171 H ILE 26 H ILE 26 2.165 7.066 2.897 172 HA ILE 26 HA ILE 26 0.301 5.622 4.719 173 HB ILE 26 HB ILE 26 -0.225 7.975 5.674 174 1HG1 ILE 26 2HG1 ILE 26 1.111 9.221 3.862 175 2HG1 ILE 26 1HG1 ILE 26 1.209 9.801 5.505 176 1HG2 ILE 26 1HG2 ILE 26 1.548 7.854 7.365 177 2HG2 ILE 26 2HG2 ILE 26 2.446 6.723 6.359 178 3HG2 ILE 26 3HG2 ILE 26 0.877 6.279 7.005 179 1HD1 ILE 26 1HD1 ILE 26 3.348 8.070 4.163 180 2HD1 ILE 26 2HD1 ILE 26 3.412 8.686 5.798 181 3HD1 ILE 26 3HD1 ILE 26 3.433 9.793 4.448 182 H CYS 27 H CYS 27 -1.725 7.549 4.545 183 HA CYS 27 HA CYS 27 -2.129 7.877 1.595 184 1HB CYS 27 2HB CYS 27 -3.192 5.852 2.395 185 2HB CYS 27 1HB CYS 27 -4.113 6.755 3.571 186 H ARG 28 H ARG 28 -2.858 9.699 0.941 187 HA ARG 28 HA ARG 28 -3.616 11.787 2.910 188 1HB ARG 28 2HB ARG 28 -3.214 11.954 -0.070 189 2HB ARG 28 1HB ARG 28 -3.519 13.328 0.968 190 1HG ARG 28 2HG ARG 28 -1.497 12.706 2.350 191 2HG ARG 28 1HG ARG 28 -1.156 11.443 1.190 192 1HD ARG 28 2HD ARG 28 -1.304 14.388 0.418 193 2HD ARG 28 1HD ARG 28 0.181 13.553 0.832 194 HE ARG 28 HE ARG 28 0.024 12.248 -1.146 195 1HH1 ARG 28 1HH1 ARG 28 -2.653 14.435 -0.806 196 2HH1 ARG 28 2HH1 ARG 28 -3.126 14.266 -2.461 197 1HH2 ARG 28 1HH2 ARG 28 -0.560 12.018 -3.210 198 2HH2 ARG 28 2HH2 ARG 28 -1.928 12.871 -3.848 199 H GLY 29 H GLY 29 -5.268 13.260 2.348 200 1HA GLY 29 2HA GLY 29 -7.849 12.031 2.385 201 2HA GLY 29 1HA GLY 29 -7.545 13.755 2.289 202 H ASN 30 H ASN 30 -5.938 12.890 -0.283 203 HA ASN 30 HA ASN 30 -8.177 13.508 -2.083 204 1HB ASN 30 2HB ASN 30 -6.493 13.515 -3.857 205 2HB ASN 30 1HB ASN 30 -5.898 14.456 -2.503 206 1HD2 ASN 30 1HD2 ASN 30 -5.364 11.594 -1.234 207 2HD2 ASN 30 2HD2 ASN 30 -3.899 11.169 -1.988 208 H GLY 31 H GLY 31 -6.976 10.678 -0.798 209 1HA GLY 31 2HA GLY 31 -7.883 8.504 -1.130 210 2HA GLY 31 1HA GLY 31 -8.537 9.017 -2.683 211 H TYR 32 H TYR 32 -5.293 9.738 -1.824 212 HA TYR 32 HA TYR 32 -4.123 7.468 -3.319 213 1HB TYR 32 2HB TYR 32 -3.500 10.393 -3.950 214 2HB TYR 32 1HB TYR 32 -2.619 9.032 -4.589 215 HD1 TYR 32 HD1 TYR 32 -3.332 7.950 -6.556 216 HD2 TYR 32 HD2 TYR 32 -6.022 10.564 -4.551 217 HE1 TYR 32 HE1 TYR 32 -4.884 7.794 -8.440 218 HE2 TYR 32 HE2 TYR 32 -7.579 10.407 -6.435 219 HH TYR 32 HH TYR 32 -7.571 8.109 -8.635 220 H CYS 33 H CYS 33 -1.950 7.280 -3.029 221 HA CYS 33 HA CYS 33 -0.954 7.137 -0.510 222 1HB CYS 33 2HB CYS 33 0.428 7.615 -3.143 223 2HB CYS 33 1HB CYS 33 1.408 7.464 -1.719 224 H GLY 34 H GLY 34 0.908 8.106 0.566 225 1HA GLY 34 2HA GLY 34 1.182 11.051 0.311 226 2HA GLY 34 1HA GLY 34 0.519 10.422 1.811 Start of MODEL 4 1 H SER 1 H SER 1 3.052 11.814 1.159 2 HA SER 1 HA SER 1 4.879 10.032 2.722 3 1HB SER 1 2HB SER 1 5.888 10.907 0.490 4 2HB SER 1 1HB SER 1 5.707 12.532 1.151 5 HG SER 1 HG SER 1 6.831 11.684 3.045 6 H GLY 2 H GLY 2 5.157 10.715 4.758 7 1HA GLY 2 2HA GLY 2 4.469 13.528 5.525 8 2HA GLY 2 1HA GLY 2 3.803 12.169 6.422 9 H SER 3 H SER 3 4.817 11.882 8.253 10 HA SER 3 HA SER 3 7.782 11.899 8.400 11 1HB SER 3 2HB SER 3 5.963 13.541 10.250 12 2HB SER 3 1HB SER 3 7.711 13.342 10.464 13 HG SER 3 HG SER 3 6.376 14.392 8.196 14 H ASP 4 H ASP 4 8.435 11.189 10.671 15 HA ASP 4 HA ASP 4 8.596 9.379 12.129 16 1HB ASP 4 2HB ASP 4 6.799 10.762 13.243 17 2HB ASP 4 1HB ASP 4 5.570 9.890 12.348 18 H GLY 5 H GLY 5 9.017 8.297 10.013 19 1HA GLY 5 2HA GLY 5 8.991 6.151 9.026 20 2HA GLY 5 1HA GLY 5 7.493 5.787 9.882 21 H GLY 6 H GLY 6 6.754 8.636 8.725 22 1HA GLY 6 2HA GLY 6 5.232 7.632 6.447 23 2HA GLY 6 1HA GLY 6 5.219 9.279 7.077 24 H VAL 7 H VAL 7 7.031 6.998 5.140 25 HA VAL 7 HA VAL 7 8.298 9.265 3.640 26 HB VAL 7 HB VAL 7 9.482 6.500 4.164 27 1HG1 VAL 7 1HG1 VAL 7 11.547 7.477 3.174 28 2HG1 VAL 7 2HG1 VAL 7 10.696 8.983 2.871 29 3HG1 VAL 7 3HG1 VAL 7 10.226 7.519 2.021 30 1HG2 VAL 7 1HG2 VAL 7 11.105 7.684 5.645 31 2HG2 VAL 7 2HG2 VAL 7 9.470 7.870 6.248 32 3HG2 VAL 7 3HG2 VAL 7 10.242 9.194 5.389 33 H CYS 8 H CYS 8 7.759 9.282 1.588 34 HA CYS 8 HA CYS 8 7.087 6.788 0.164 35 1HB CYS 8 2HB CYS 8 5.038 7.762 1.334 36 2HB CYS 8 1HB CYS 8 5.121 9.088 0.218 37 HA PRO 9 HA PRO 9 8.300 9.406 -3.402 38 1HB PRO 9 2HB PRO 9 6.960 7.849 -5.342 39 2HB PRO 9 1HB PRO 9 8.639 7.681 -4.865 40 1HG PRO 9 2HG PRO 9 6.358 5.947 -4.222 41 2HG PRO 9 1HG PRO 9 8.077 5.602 -4.101 42 1HD PRO 9 2HD PRO 9 6.290 6.193 -1.949 43 2HD PRO 9 1HD PRO 9 8.050 6.021 -1.835 44 H LYS 10 H LYS 10 6.636 9.930 -5.499 45 HA LYS 10 HA LYS 10 4.112 10.947 -4.254 46 1HB LYS 10 2HB LYS 10 5.921 12.323 -6.298 47 2HB LYS 10 1HB LYS 10 4.463 13.001 -5.604 48 1HG LYS 10 2HG LYS 10 6.917 12.179 -3.972 49 2HG LYS 10 1HG LYS 10 6.601 13.814 -4.499 50 1HD LYS 10 2HD LYS 10 4.539 13.917 -3.177 51 2HD LYS 10 1HD LYS 10 4.676 12.229 -2.727 52 1HE LYS 10 2HE LYS 10 6.712 14.366 -1.995 53 2HE LYS 10 1HE LYS 10 5.487 13.718 -0.913 54 1HZ LYS 10 1HZ LYS 10 7.849 12.384 -2.041 55 2HZ LYS 10 2HZ LYS 10 6.512 11.465 -1.543 56 3HZ LYS 10 3HZ LYS 10 7.322 12.458 -0.428 57 H ILE 11 H ILE 11 3.828 8.659 -5.201 58 HA ILE 11 HA ILE 11 3.147 8.645 -8.074 59 HB ILE 11 HB ILE 11 2.618 6.221 -7.649 60 1HG1 ILE 11 2HG1 ILE 11 3.475 6.859 -4.774 61 2HG1 ILE 11 1HG1 ILE 11 1.853 6.434 -5.276 62 1HG2 ILE 11 1HG2 ILE 11 5.325 7.177 -6.610 63 2HG2 ILE 11 2HG2 ILE 11 4.898 6.950 -8.298 64 3HG2 ILE 11 3HG2 ILE 11 4.994 5.567 -7.230 65 1HD1 ILE 11 1HD1 ILE 11 2.987 4.480 -4.320 66 2HD1 ILE 11 2HD1 ILE 11 4.291 4.618 -5.479 67 3HD1 ILE 11 3HD1 ILE 11 2.676 4.198 -6.024 68 H LEU 12 H LEU 12 1.109 8.141 -8.856 69 HA LEU 12 HA LEU 12 -1.137 9.169 -7.203 70 1HB LEU 12 2HB LEU 12 -2.362 9.274 -9.382 71 2HB LEU 12 1HB LEU 12 -0.895 10.215 -9.404 72 HG LEU 12 HG LEU 12 -0.704 7.364 -10.436 73 1HD1 LEU 12 1HD1 LEU 12 -2.781 8.292 -11.497 74 2HD1 LEU 12 2HD1 LEU 12 -1.492 8.118 -12.673 75 3HD1 LEU 12 3HD1 LEU 12 -1.878 9.705 -12.022 76 1HD2 LEU 12 1HD2 LEU 12 1.335 8.898 -10.376 77 2HD2 LEU 12 2HD2 LEU 12 0.469 10.027 -11.393 78 3HD2 LEU 12 3HD2 LEU 12 0.895 8.440 -12.005 79 H LYS 13 H LYS 13 -0.220 6.789 -6.396 80 HA LYS 13 HA LYS 13 -1.909 4.624 -7.495 81 1HB LYS 13 2HB LYS 13 0.588 4.484 -6.535 82 2HB LYS 13 1HB LYS 13 -0.202 4.451 -4.996 83 1HG LYS 13 2HG LYS 13 -0.160 2.194 -5.330 84 2HG LYS 13 1HG LYS 13 -1.695 2.533 -6.088 85 1HD LYS 13 2HD LYS 13 0.974 2.174 -7.516 86 2HD LYS 13 1HD LYS 13 -0.333 1.019 -7.479 87 1HE LYS 13 2HE LYS 13 -0.495 2.057 -9.616 88 2HE LYS 13 1HE LYS 13 -1.771 2.805 -8.675 89 1HZ LYS 13 1HZ LYS 13 0.634 4.251 -8.354 90 2HZ LYS 13 2HZ LYS 13 -0.847 4.772 -9.001 91 3HZ LYS 13 3HZ LYS 13 0.308 4.041 -10.004 92 H LYS 14 H LYS 14 -3.921 4.339 -6.733 93 HA LYS 14 HA LYS 14 -4.980 5.961 -4.664 94 1HB LYS 14 2HB LYS 14 -6.864 4.119 -4.648 95 2HB LYS 14 1HB LYS 14 -6.657 5.209 -5.969 96 1HG LYS 14 2HG LYS 14 -7.045 2.864 -6.746 97 2HG LYS 14 1HG LYS 14 -5.483 3.425 -7.276 98 1HD LYS 14 2HD LYS 14 -5.369 1.113 -6.455 99 2HD LYS 14 1HD LYS 14 -4.378 2.140 -5.460 100 1HE LYS 14 2HE LYS 14 -6.330 2.221 -3.779 101 2HE LYS 14 1HE LYS 14 -7.187 1.098 -4.823 102 1HZ LYS 14 1HZ LYS 14 -4.545 0.595 -3.592 103 2HZ LYS 14 2HZ LYS 14 -5.453 -0.503 -4.516 104 3HZ LYS 14 3HZ LYS 14 -6.026 0.013 -3.001 105 H CYS 15 H CYS 15 -5.721 5.561 -2.734 106 HA CYS 15 HA CYS 15 -4.743 3.189 -1.219 107 1HB CYS 15 2HB CYS 15 -3.831 4.587 0.538 108 2HB CYS 15 1HB CYS 15 -3.043 4.879 -0.984 109 H ARG 16 H ARG 16 -6.152 2.378 0.093 110 HA ARG 16 HA ARG 16 -8.735 3.701 0.595 111 1HB ARG 16 2HB ARG 16 -8.466 1.206 0.051 112 2HB ARG 16 1HB ARG 16 -7.639 0.997 1.573 113 1HG ARG 16 2HG ARG 16 -10.478 2.067 1.369 114 2HG ARG 16 1HG ARG 16 -10.111 0.368 1.560 115 1HD ARG 16 2HD ARG 16 -8.932 0.867 3.715 116 2HD ARG 16 1HD ARG 16 -9.380 2.559 3.572 117 HE ARG 16 HE ARG 16 -11.149 0.374 4.308 118 1HH1 ARG 16 1HH1 ARG 16 -10.920 3.559 2.954 119 2HH1 ARG 16 2HH1 ARG 16 -12.546 3.976 3.376 120 1HH2 ARG 16 1HH2 ARG 16 -13.208 0.882 4.847 121 2HH2 ARG 16 2HH2 ARG 16 -13.861 2.440 4.462 122 H ARG 17 H ARG 17 -6.281 2.095 2.500 123 HA ARG 17 HA ARG 17 -6.591 4.062 4.737 124 1HB ARG 17 2HB ARG 17 -5.673 2.266 6.185 125 2HB ARG 17 1HB ARG 17 -7.126 1.721 5.375 126 1HG ARG 17 2HG ARG 17 -5.799 0.485 3.705 127 2HG ARG 17 1HG ARG 17 -4.300 1.092 4.390 128 1HD ARG 17 2HD ARG 17 -6.311 -0.655 5.874 129 2HD ARG 17 1HD ARG 17 -4.791 -1.211 5.177 130 HE ARG 17 HE ARG 17 -4.316 1.012 6.937 131 1HH1 ARG 17 1HH1 ARG 17 -5.106 -2.362 6.901 132 2HH1 ARG 17 2HH1 ARG 17 -4.384 -2.662 8.446 133 1HH2 ARG 17 1HH2 ARG 17 -3.398 0.657 8.888 134 2HH2 ARG 17 2HH2 ARG 17 -3.402 -0.925 9.591 135 H ASP 18 H ASP 18 -4.376 4.198 6.000 136 HA ASP 18 HA ASP 18 -2.511 5.466 4.405 137 1HB ASP 18 2HB ASP 18 -2.261 4.172 7.130 138 2HB ASP 18 1HB ASP 18 -1.091 5.284 6.458 139 H SER 19 H SER 19 -2.213 2.238 5.788 140 HA SER 19 HA SER 19 0.270 1.659 4.422 141 1HB SER 19 2HB SER 19 -0.045 -0.585 5.397 142 2HB SER 19 1HB SER 19 -0.392 0.692 6.588 143 HG SER 19 HG SER 19 -2.605 0.530 5.902 144 H ASP 20 H ASP 20 -2.618 1.972 3.117 145 HA ASP 20 HA ASP 20 -2.862 -0.394 1.423 146 1HB ASP 20 2HB ASP 20 -4.731 1.314 1.991 147 2HB ASP 20 1HB ASP 20 -3.994 2.337 0.781 148 H CYS 21 H CYS 21 -0.985 2.385 1.490 149 HA CYS 21 HA CYS 21 -0.281 2.497 -1.369 150 1HB CYS 21 2HB CYS 21 -0.438 4.540 -0.091 151 2HB CYS 21 1HB CYS 21 0.796 3.975 1.015 152 HA PRO 22 HA PRO 22 3.168 -0.338 -0.627 153 1HB PRO 22 2HB PRO 22 4.740 0.731 -2.825 154 2HB PRO 22 1HB PRO 22 3.843 -0.777 -2.754 155 1HG PRO 22 2HG PRO 22 3.158 1.461 -4.317 156 2HG PRO 22 1HG PRO 22 2.085 0.119 -3.943 157 1HD PRO 22 2HD PRO 22 2.160 2.851 -2.768 158 2HD PRO 22 1HD PRO 22 0.785 1.753 -2.898 159 H GLY 23 H GLY 23 5.538 -0.236 -0.117 160 1HA GLY 23 2HA GLY 23 7.423 0.811 0.878 161 2HA GLY 23 1HA GLY 23 6.805 2.347 0.279 162 H ALA 24 H ALA 24 7.611 3.142 2.239 163 HA ALA 24 HA ALA 24 6.220 2.466 4.754 164 1HB ALA 24 1HB ALA 24 8.345 4.544 4.086 165 2HB ALA 24 2HB ALA 24 8.656 2.937 4.718 166 3HB ALA 24 3HB ALA 24 7.821 4.119 5.711 167 H CYS 25 H CYS 25 5.054 3.698 2.291 168 HA CYS 25 HA CYS 25 4.252 6.383 2.739 169 1HB CYS 25 2HB CYS 25 2.900 4.178 1.218 170 2HB CYS 25 1HB CYS 25 2.514 5.863 1.037 171 H ILE 26 H ILE 26 2.019 7.035 2.748 172 HA ILE 26 HA ILE 26 0.232 5.609 4.644 173 HB ILE 26 HB ILE 26 -0.289 7.949 5.624 174 1HG1 ILE 26 2HG1 ILE 26 1.004 9.173 3.728 175 2HG1 ILE 26 1HG1 ILE 26 1.074 9.806 5.353 176 1HG2 ILE 26 1HG2 ILE 26 2.429 6.734 6.208 177 2HG2 ILE 26 2HG2 ILE 26 0.897 6.283 6.930 178 3HG2 ILE 26 3HG2 ILE 26 1.580 7.866 7.251 179 1HD1 ILE 26 1HD1 ILE 26 3.289 9.804 4.293 180 2HD1 ILE 26 2HD1 ILE 26 3.257 8.067 4.099 181 3HD1 ILE 26 3HD1 ILE 26 3.291 8.773 5.703 182 H CYS 27 H CYS 27 -1.857 7.437 4.505 183 HA CYS 27 HA CYS 27 -2.318 7.694 1.553 184 1HB CYS 27 2HB CYS 27 -3.469 5.819 2.547 185 2HB CYS 27 1HB CYS 27 -4.292 6.866 3.674 186 H ARG 28 H ARG 28 -2.803 9.535 0.820 187 HA ARG 28 HA ARG 28 -3.316 11.826 2.591 188 1HB ARG 28 2HB ARG 28 -3.354 11.679 -0.420 189 2HB ARG 28 1HB ARG 28 -3.374 13.160 0.513 190 1HG ARG 28 2HG ARG 28 -1.190 12.497 1.565 191 2HG ARG 28 1HG ARG 28 -1.174 11.085 0.522 192 1HD ARG 28 2HD ARG 28 -1.064 12.479 -1.481 193 2HD ARG 28 1HD ARG 28 -1.231 13.949 -0.515 194 HE ARG 28 HE ARG 28 0.940 12.697 0.620 195 1HH1 ARG 28 1HH1 ARG 28 0.111 13.621 -2.618 196 2HH1 ARG 28 2HH1 ARG 28 1.761 13.853 -3.086 197 1HH2 ARG 28 1HH2 ARG 28 3.014 12.979 0.055 198 2HH2 ARG 28 2HH2 ARG 28 3.433 13.489 -1.546 199 H GLY 29 H GLY 29 -5.020 13.364 2.012 200 1HA GLY 29 2HA GLY 29 -7.628 12.162 2.354 201 2HA GLY 29 1HA GLY 29 -7.298 13.882 2.185 202 H ASN 30 H ASN 30 -5.808 12.954 -0.397 203 HA ASN 30 HA ASN 30 -8.051 13.506 -2.183 204 1HB ASN 30 2HB ASN 30 -6.197 13.328 -3.962 205 2HB ASN 30 1HB ASN 30 -5.961 14.555 -2.735 206 1HD2 ASN 30 1HD2 ASN 30 -5.257 11.033 -2.888 207 2HD2 ASN 30 2HD2 ASN 30 -3.644 11.193 -2.380 208 H GLY 31 H GLY 31 -6.903 10.726 -0.796 209 1HA GLY 31 2HA GLY 31 -7.772 8.545 -1.083 210 2HA GLY 31 1HA GLY 31 -8.434 9.015 -2.642 211 H TYR 32 H TYR 32 -5.144 9.716 -1.900 212 HA TYR 32 HA TYR 32 -4.111 7.313 -3.292 213 1HB TYR 32 2HB TYR 32 -3.390 10.147 -4.207 214 2HB TYR 32 1HB TYR 32 -2.716 8.664 -4.838 215 HD1 TYR 32 HD1 TYR 32 -3.956 7.271 -6.382 216 HD2 TYR 32 HD2 TYR 32 -5.779 10.728 -4.707 217 HE1 TYR 32 HE1 TYR 32 -5.774 7.097 -8.009 218 HE2 TYR 32 HE2 TYR 32 -7.598 10.557 -6.333 219 HH TYR 32 HH TYR 32 -8.625 8.447 -7.726 220 H CYS 33 H CYS 33 -1.948 7.035 -3.103 221 HA CYS 33 HA CYS 33 -0.802 7.046 -0.657 222 1HB CYS 33 2HB CYS 33 0.446 7.262 -3.392 223 2HB CYS 33 1HB CYS 33 1.499 7.169 -2.017 224 H GLY 34 H GLY 34 0.928 8.012 0.429 225 1HA GLY 34 2HA GLY 34 1.639 10.778 -0.249 226 2HA GLY 34 1HA GLY 34 0.686 10.584 1.222 Start of MODEL 5 1 H SER 1 H SER 1 2.398 11.766 2.041 2 HA SER 1 HA SER 1 4.060 9.878 3.609 3 1HB SER 1 2HB SER 1 6.076 11.356 3.136 4 2HB SER 1 1HB SER 1 5.479 10.564 1.676 5 HG SER 1 HG SER 1 4.170 12.461 1.358 6 H GLY 2 H GLY 2 4.159 10.557 5.768 7 1HA GLY 2 2HA GLY 2 4.401 13.127 6.736 8 2HA GLY 2 1HA GLY 2 2.675 12.952 6.486 9 H SER 3 H SER 3 4.611 10.245 7.667 10 HA SER 3 HA SER 3 3.843 10.824 10.466 11 1HB SER 3 2HB SER 3 2.500 8.728 10.712 12 2HB SER 3 1HB SER 3 1.824 9.655 9.367 13 HG SER 3 HG SER 3 3.385 7.350 9.349 14 H ASP 4 H ASP 4 4.169 7.739 10.758 15 HA ASP 4 HA ASP 4 6.742 7.621 11.799 16 1HB ASP 4 2HB ASP 4 5.219 5.342 10.449 17 2HB ASP 4 1HB ASP 4 6.510 5.148 11.625 18 H GLY 5 H GLY 5 5.657 6.990 8.578 19 1HA GLY 5 2HA GLY 5 8.297 6.269 7.520 20 2HA GLY 5 1HA GLY 5 6.815 6.490 6.577 21 H GLY 6 H GLY 6 5.968 8.889 7.056 22 1HA GLY 6 2HA GLY 6 6.213 11.155 6.589 23 2HA GLY 6 1HA GLY 6 7.832 11.035 7.255 24 H VAL 7 H VAL 7 7.615 8.835 4.815 25 HA VAL 7 HA VAL 7 8.297 10.681 2.597 26 HB VAL 7 HB VAL 7 10.078 8.351 3.498 27 1HG1 VAL 7 1HG1 VAL 7 10.063 8.657 1.023 28 2HG1 VAL 7 2HG1 VAL 7 11.610 9.131 1.694 29 3HG1 VAL 7 3HG1 VAL 7 10.445 10.358 1.225 30 1HG2 VAL 7 1HG2 VAL 7 10.620 11.353 3.580 31 2HG2 VAL 7 2HG2 VAL 7 11.780 10.098 3.984 32 3HG2 VAL 7 3HG2 VAL 7 10.359 10.327 4.982 33 H CYS 8 H CYS 8 7.717 9.892 0.653 34 HA CYS 8 HA CYS 8 6.898 7.080 0.339 35 1HB CYS 8 2HB CYS 8 4.905 8.217 1.227 36 2HB CYS 8 1HB CYS 8 4.966 9.403 -0.047 37 HA PRO 9 HA PRO 9 8.423 8.005 -3.862 38 1HB PRO 9 2HB PRO 9 6.868 5.710 -4.815 39 2HB PRO 9 1HB PRO 9 8.609 5.917 -4.753 40 1HG PRO 9 2HG PRO 9 7.014 4.289 -3.047 41 2HG PRO 9 1HG PRO 9 8.736 4.602 -2.904 42 1HD PRO 9 2HD PRO 9 6.591 5.597 -1.222 43 2HD PRO 9 1HD PRO 9 8.335 5.843 -1.014 44 H LYS 10 H LYS 10 7.420 9.768 -4.360 45 HA LYS 10 HA LYS 10 4.624 10.282 -4.470 46 1HB LYS 10 2HB LYS 10 5.423 12.367 -5.765 47 2HB LYS 10 1HB LYS 10 6.088 12.121 -4.164 48 1HG LYS 10 2HG LYS 10 8.176 11.235 -5.077 49 2HG LYS 10 1HG LYS 10 7.537 11.203 -6.702 50 1HD LYS 10 2HD LYS 10 8.978 13.155 -6.466 51 2HD LYS 10 1HD LYS 10 7.328 13.729 -6.595 52 1HE LYS 10 2HE LYS 10 7.215 14.005 -4.123 53 2HE LYS 10 1HE LYS 10 8.849 13.371 -3.972 54 1HZ LYS 10 1HZ LYS 10 8.012 15.853 -5.343 55 2HZ LYS 10 2HZ LYS 10 9.585 15.215 -5.409 56 3HZ LYS 10 3HZ LYS 10 8.933 15.718 -3.924 57 H ILE 11 H ILE 11 3.786 8.543 -5.654 58 HA ILE 11 HA ILE 11 3.832 8.902 -8.609 59 HB ILE 11 HB ILE 11 3.713 6.258 -7.066 60 1HG1 ILE 11 2HG1 ILE 11 5.971 7.378 -8.809 61 2HG1 ILE 11 1HG1 ILE 11 6.008 7.354 -7.059 62 1HG2 ILE 11 1HG2 ILE 11 2.427 6.267 -9.200 63 2HG2 ILE 11 2HG2 ILE 11 3.843 5.253 -9.361 64 3HG2 ILE 11 3HG2 ILE 11 3.839 6.867 -10.056 65 1HD1 ILE 11 1HD1 ILE 11 7.261 5.447 -7.947 66 2HD1 ILE 11 2HD1 ILE 11 5.854 4.876 -8.820 67 3HD1 ILE 11 3HD1 ILE 11 5.855 4.880 -7.062 68 H LEU 12 H LEU 12 1.834 8.660 -9.567 69 HA LEU 12 HA LEU 12 -0.474 9.258 -7.956 70 1HB LEU 12 2HB LEU 12 -0.263 8.483 -10.902 71 2HB LEU 12 1HB LEU 12 -1.698 9.128 -10.137 72 HG LEU 12 HG LEU 12 -0.032 11.093 -9.421 73 1HD1 LEU 12 1HD1 LEU 12 1.613 11.630 -11.191 74 2HD1 LEU 12 2HD1 LEU 12 1.321 10.072 -11.939 75 3HD1 LEU 12 3HD1 LEU 12 2.057 10.172 -10.349 76 1HD2 LEU 12 1HD2 LEU 12 -1.172 10.829 -12.241 77 2HD2 LEU 12 2HD2 LEU 12 -0.728 12.344 -11.472 78 3HD2 LEU 12 3HD2 LEU 12 -2.054 11.393 -10.831 79 H LYS 13 H LYS 13 -0.590 7.523 -6.532 80 HA LYS 13 HA LYS 13 -1.775 5.015 -7.617 81 1HB LYS 13 2HB LYS 13 0.095 5.402 -5.260 82 2HB LYS 13 1HB LYS 13 -0.736 3.907 -5.619 83 1HG LYS 13 2HG LYS 13 0.436 3.861 -7.859 84 2HG LYS 13 1HG LYS 13 1.308 5.315 -7.393 85 1HD LYS 13 2HD LYS 13 2.253 4.125 -5.414 86 2HD LYS 13 1HD LYS 13 1.385 2.670 -5.870 87 1HE LYS 13 2HE LYS 13 3.539 4.032 -7.541 88 2HE LYS 13 1HE LYS 13 3.732 2.546 -6.629 89 1HZ LYS 13 1HZ LYS 13 1.772 1.727 -8.017 90 2HZ LYS 13 2HZ LYS 13 3.302 1.826 -8.749 91 3HZ LYS 13 3HZ LYS 13 2.136 3.025 -9.049 92 H LYS 14 H LYS 14 -3.443 4.129 -6.397 93 HA LYS 14 HA LYS 14 -4.881 6.055 -4.685 94 1HB LYS 14 2HB LYS 14 -5.685 3.363 -5.808 95 2HB LYS 14 1HB LYS 14 -6.711 4.356 -4.810 96 1HG LYS 14 2HG LYS 14 -5.550 5.269 -7.482 97 2HG LYS 14 1HG LYS 14 -7.147 4.577 -7.311 98 1HD LYS 14 2HD LYS 14 -6.218 7.121 -5.898 99 2HD LYS 14 1HD LYS 14 -7.172 7.073 -7.366 100 1HE LYS 14 2HE LYS 14 -9.015 5.945 -6.186 101 2HE LYS 14 1HE LYS 14 -8.081 5.900 -4.698 102 1HZ LYS 14 1HZ LYS 14 -9.644 7.742 -4.785 103 2HZ LYS 14 2HZ LYS 14 -8.825 8.374 -6.133 104 3HZ LYS 14 3HZ LYS 14 -8.036 8.267 -4.634 105 H CYS 15 H CYS 15 -5.730 5.489 -2.736 106 HA CYS 15 HA CYS 15 -4.740 3.098 -1.307 107 1HB CYS 15 2HB CYS 15 -3.775 4.429 0.510 108 2HB CYS 15 1HB CYS 15 -2.946 4.673 -0.998 109 H ARG 16 H ARG 16 -6.305 2.277 -0.057 110 HA ARG 16 HA ARG 16 -8.747 3.810 0.471 111 1HB ARG 16 2HB ARG 16 -7.811 1.033 1.340 112 2HB ARG 16 1HB ARG 16 -9.241 1.747 2.036 113 1HG ARG 16 2HG ARG 16 -10.190 0.489 0.354 114 2HG ARG 16 1HG ARG 16 -10.041 2.031 -0.451 115 1HD ARG 16 2HD ARG 16 -8.010 -0.216 -0.720 116 2HD ARG 16 1HD ARG 16 -9.320 0.075 -1.851 117 HE ARG 16 HE ARG 16 -7.968 2.513 -1.654 118 1HH1 ARG 16 1HH1 ARG 16 -7.280 -0.766 -2.555 119 2HH1 ARG 16 2HH1 ARG 16 -6.068 -0.315 -3.705 120 1HH2 ARG 16 1HH2 ARG 16 -6.445 3.097 -3.106 121 2HH2 ARG 16 2HH2 ARG 16 -5.582 1.906 -4.021 122 H ARG 17 H ARG 17 -6.251 2.273 2.367 123 HA ARG 17 HA ARG 17 -6.571 4.273 4.573 124 1HB ARG 17 2HB ARG 17 -5.731 2.519 6.096 125 2HB ARG 17 1HB ARG 17 -7.200 1.986 5.301 126 1HG ARG 17 2HG ARG 17 -5.880 0.647 3.688 127 2HG ARG 17 1HG ARG 17 -4.379 1.218 4.394 128 1HD ARG 17 2HD ARG 17 -6.482 -0.439 5.865 129 2HD ARG 17 1HD ARG 17 -4.967 -1.040 5.218 130 HE ARG 17 HE ARG 17 -3.754 0.161 6.892 131 1HH1 ARG 17 1HH1 ARG 17 -7.194 0.587 7.175 132 2HH1 ARG 17 2HH1 ARG 17 -7.081 1.193 8.790 133 1HH2 ARG 17 1HH2 ARG 17 -3.610 0.927 8.915 134 2HH2 ARG 17 2HH2 ARG 17 -5.032 1.393 9.787 135 H ASP 18 H ASP 18 -4.466 4.362 5.898 136 HA ASP 18 HA ASP 18 -2.471 5.585 4.489 137 1HB ASP 18 2HB ASP 18 -2.466 4.166 7.146 138 2HB ASP 18 1HB ASP 18 -1.171 5.205 6.607 139 H SER 19 H SER 19 -2.266 2.308 5.753 140 HA SER 19 HA SER 19 0.267 1.778 4.443 141 1HB SER 19 2HB SER 19 -0.030 -0.471 5.408 142 2HB SER 19 1HB SER 19 -0.425 0.796 6.594 143 HG SER 19 HG SER 19 -2.625 0.599 5.837 144 H ASP 20 H ASP 20 -2.657 2.012 3.126 145 HA ASP 20 HA ASP 20 -2.792 -0.334 1.403 146 1HB ASP 20 2HB ASP 20 -4.717 1.335 1.974 147 2HB ASP 20 1HB ASP 20 -4.004 2.358 0.756 148 H CYS 21 H CYS 21 -1.002 2.517 1.496 149 HA CYS 21 HA CYS 21 -0.300 2.646 -1.362 150 1HB CYS 21 2HB CYS 21 -0.527 4.683 -0.072 151 2HB CYS 21 1HB CYS 21 0.745 4.162 1.012 152 HA PRO 22 HA PRO 22 3.185 -0.126 -0.663 153 1HB PRO 22 2HB PRO 22 4.757 0.978 -2.841 154 2HB PRO 22 1HB PRO 22 3.857 -0.530 -2.797 155 1HG PRO 22 2HG PRO 22 3.182 1.750 -4.310 156 2HG PRO 22 1HG PRO 22 2.120 0.386 -3.991 157 1HD PRO 22 2HD PRO 22 2.127 3.088 -2.760 158 2HD PRO 22 1HD PRO 22 0.784 1.951 -2.901 159 H GLY 23 H GLY 23 5.559 -0.027 -0.161 160 1HA GLY 23 2HA GLY 23 7.442 1.015 0.855 161 2HA GLY 23 1HA GLY 23 6.808 2.557 0.285 162 H ALA 24 H ALA 24 7.550 3.358 2.251 163 HA ALA 24 HA ALA 24 6.180 2.575 4.748 164 1HB ALA 24 1HB ALA 24 8.596 3.135 4.736 165 2HB ALA 24 2HB ALA 24 7.710 4.272 5.745 166 3HB ALA 24 3HB ALA 24 8.228 4.743 4.128 167 H CYS 25 H CYS 25 5.011 3.854 2.271 168 HA CYS 25 HA CYS 25 4.138 6.493 2.794 169 1HB CYS 25 2HB CYS 25 2.833 4.309 1.220 170 2HB CYS 25 1HB CYS 25 2.394 5.989 1.108 171 H ILE 26 H ILE 26 2.099 7.250 3.057 172 HA ILE 26 HA ILE 26 0.260 5.781 4.895 173 HB ILE 26 HB ILE 26 -0.148 8.524 5.401 174 1HG1 ILE 26 2HG1 ILE 26 1.952 9.131 4.150 175 2HG1 ILE 26 1HG1 ILE 26 1.846 9.733 5.782 176 1HG2 ILE 26 1HG2 ILE 26 1.612 6.658 7.007 177 2HG2 ILE 26 2HG2 ILE 26 -0.124 6.839 7.141 178 3HG2 ILE 26 3HG2 ILE 26 0.916 8.166 7.586 179 1HD1 ILE 26 1HD1 ILE 26 3.515 7.298 4.951 180 2HD1 ILE 26 2HD1 ILE 26 3.364 7.910 6.575 181 3HD1 ILE 26 3HD1 ILE 26 4.140 8.867 5.353 182 H CYS 27 H CYS 27 -1.830 7.629 4.646 183 HA CYS 27 HA CYS 27 -2.193 7.855 1.675 184 1HB CYS 27 2HB CYS 27 -3.251 5.856 2.523 185 2HB CYS 27 1HB CYS 27 -4.198 6.786 3.658 186 H ARG 28 H ARG 28 -2.870 9.631 0.958 187 HA ARG 28 HA ARG 28 -3.452 11.903 2.677 188 1HB ARG 28 2HB ARG 28 -3.936 11.633 -0.289 189 2HB ARG 28 1HB ARG 28 -3.857 13.139 0.588 190 1HG ARG 28 2HG ARG 28 -1.542 11.191 0.329 191 2HG ARG 28 1HG ARG 28 -1.737 12.629 -0.651 192 1HD ARG 28 2HD ARG 28 -1.694 14.002 1.496 193 2HD ARG 28 1HD ARG 28 -1.316 12.515 2.369 194 HE ARG 28 HE ARG 28 0.485 12.881 0.151 195 1HH1 ARG 28 1HH1 ARG 28 -0.237 13.975 3.360 196 2HH1 ARG 28 2HH1 ARG 28 1.399 14.436 3.691 197 1HH2 ARG 28 1HH2 ARG 28 2.556 13.461 0.546 198 2HH2 ARG 28 2HH2 ARG 28 3.005 14.142 2.074 199 H GLY 29 H GLY 29 -5.381 13.248 2.320 200 1HA GLY 29 2HA GLY 29 -7.787 11.754 2.964 201 2HA GLY 29 1HA GLY 29 -7.664 13.504 2.811 202 H ASN 30 H ASN 30 -6.403 12.806 0.054 203 HA ASN 30 HA ASN 30 -8.890 13.117 -1.453 204 1HB ASN 30 2HB ASN 30 -7.256 13.278 -3.418 205 2HB ASN 30 1HB ASN 30 -7.014 14.461 -2.145 206 1HD2 ASN 30 1HD2 ASN 30 -4.808 14.755 -1.929 207 2HD2 ASN 30 2HD2 ASN 30 -3.656 13.509 -1.880 208 H GLY 31 H GLY 31 -7.173 10.468 -0.380 209 1HA GLY 31 2HA GLY 31 -7.839 8.202 -0.692 210 2HA GLY 31 1HA GLY 31 -8.659 8.646 -2.180 211 H TYR 32 H TYR 32 -5.444 9.762 -1.661 212 HA TYR 32 HA TYR 32 -4.286 7.593 -3.358 213 1HB TYR 32 2HB TYR 32 -3.708 10.551 -3.699 214 2HB TYR 32 1HB TYR 32 -2.926 9.274 -4.577 215 HD1 TYR 32 HD1 TYR 32 -6.422 10.558 -3.982 216 HD2 TYR 32 HD2 TYR 32 -3.683 8.768 -6.708 217 HE1 TYR 32 HE1 TYR 32 -8.099 10.687 -5.749 218 HE2 TYR 32 HE2 TYR 32 -5.367 8.901 -8.477 219 HH TYR 32 HH TYR 32 -7.632 10.676 -8.733 220 H CYS 33 H CYS 33 -2.153 7.319 -3.144 221 HA CYS 33 HA CYS 33 -1.019 7.123 -0.662 222 1HB CYS 33 2HB CYS 33 0.182 7.428 -3.403 223 2HB CYS 33 1HB CYS 33 1.285 7.387 -2.065 224 H GLY 34 H GLY 34 0.683 8.048 0.489 225 1HA GLY 34 2HA GLY 34 1.487 10.813 -0.027 226 2HA GLY 34 1HA GLY 34 0.391 10.621 1.334 Start of MODEL 6 1 H SER 1 H SER 1 1.290 12.414 1.322 2 HA SER 1 HA SER 1 0.969 13.360 3.380 3 1HB SER 1 2HB SER 1 -1.191 12.167 3.331 4 2HB SER 1 1HB SER 1 -0.466 10.705 3.984 5 HG SER 1 HG SER 1 -0.084 11.729 5.865 6 H GLY 2 H GLY 2 3.073 10.936 2.992 7 1HA GLY 2 2HA GLY 2 3.917 10.499 5.772 8 2HA GLY 2 1HA GLY 2 4.711 9.876 4.332 9 H SER 3 H SER 3 3.907 13.190 5.220 10 HA SER 3 HA SER 3 6.678 14.066 4.699 11 1HB SER 3 2HB SER 3 4.144 15.657 5.369 12 2HB SER 3 1HB SER 3 5.692 16.359 4.864 13 HG SER 3 HG SER 3 4.131 14.465 3.442 14 H ASP 4 H ASP 4 8.065 14.175 6.253 15 HA ASP 4 HA ASP 4 9.145 14.464 8.249 16 1HB ASP 4 2HB ASP 4 7.795 16.554 8.443 17 2HB ASP 4 1HB ASP 4 6.496 15.656 9.198 18 H GLY 5 H GLY 5 6.174 12.727 8.214 19 1HA GLY 5 2HA GLY 5 6.533 11.444 10.826 20 2HA GLY 5 1HA GLY 5 5.300 11.051 9.621 21 H GLY 6 H GLY 6 6.039 9.984 7.669 22 1HA GLY 6 2HA GLY 6 8.309 8.084 8.142 23 2HA GLY 6 1HA GLY 6 6.822 7.669 7.280 24 H VAL 7 H VAL 7 7.718 7.230 5.323 25 HA VAL 7 HA VAL 7 8.722 9.536 3.736 26 HB VAL 7 HB VAL 7 10.075 6.785 3.882 27 1HG1 VAL 7 1HG1 VAL 7 10.771 9.199 2.138 28 2HG1 VAL 7 2HG1 VAL 7 10.105 7.682 1.553 29 3HG1 VAL 7 3HG1 VAL 7 11.711 7.719 2.251 30 1HG2 VAL 7 1HG2 VAL 7 11.122 9.546 4.651 31 2HG2 VAL 7 2HG2 VAL 7 12.054 8.059 4.689 32 3HG2 VAL 7 3HG2 VAL 7 10.701 8.268 5.780 33 H CYS 8 H CYS 8 8.223 9.380 1.546 34 HA CYS 8 HA CYS 8 6.746 7.001 0.609 35 1HB CYS 8 2HB CYS 8 5.064 8.431 1.691 36 2HB CYS 8 1HB CYS 8 5.482 9.737 0.616 37 HA PRO 9 HA PRO 9 8.946 8.546 -3.110 38 1HB PRO 9 2HB PRO 9 8.055 6.191 -4.547 39 2HB PRO 9 1HB PRO 9 9.665 6.573 -3.966 40 1HG PRO 9 2HG PRO 9 7.874 4.604 -2.942 41 2HG PRO 9 1HG PRO 9 9.443 5.047 -2.296 42 1HD PRO 9 2HD PRO 9 6.787 5.711 -1.247 43 2HD PRO 9 1HD PRO 9 8.367 5.925 -0.473 44 H LYS 10 H LYS 10 7.876 7.932 -5.613 45 HA LYS 10 HA LYS 10 6.085 9.960 -6.164 46 1HB LYS 10 2HB LYS 10 5.601 8.728 -8.285 47 2HB LYS 10 1HB LYS 10 7.311 8.776 -7.909 48 1HG LYS 10 2HG LYS 10 7.074 6.448 -6.870 49 2HG LYS 10 1HG LYS 10 5.428 6.410 -7.466 50 1HD LYS 10 2HD LYS 10 7.876 6.785 -9.239 51 2HD LYS 10 1HD LYS 10 7.081 5.248 -8.968 52 1HE LYS 10 2HE LYS 10 4.992 6.116 -9.953 53 2HE LYS 10 1HE LYS 10 5.735 7.693 -10.209 54 1HZ LYS 10 1HZ LYS 10 6.747 5.163 -11.359 55 2HZ LYS 10 2HZ LYS 10 7.295 6.734 -11.698 56 3HZ LYS 10 3HZ LYS 10 5.737 6.257 -12.177 57 H ILE 11 H ILE 11 3.911 10.254 -6.315 58 HA ILE 11 HA ILE 11 2.135 8.035 -5.401 59 HB ILE 11 HB ILE 11 0.899 9.483 -3.974 60 1HG1 ILE 11 2HG1 ILE 11 0.842 11.631 -5.091 61 2HG1 ILE 11 1HG1 ILE 11 1.493 11.839 -3.490 62 1HG2 ILE 11 1HG2 ILE 11 2.926 8.525 -2.976 63 2HG2 ILE 11 2HG2 ILE 11 2.596 10.100 -2.275 64 3HG2 ILE 11 3HG2 ILE 11 3.857 9.923 -3.474 65 1HD1 ILE 11 1HD1 ILE 11 2.761 13.190 -5.071 66 2HD1 ILE 11 2HD1 ILE 11 3.158 11.792 -6.032 67 3HD1 ILE 11 3HD1 ILE 11 3.804 11.950 -4.404 68 H LEU 12 H LEU 12 0.617 7.595 -6.640 69 HA LEU 12 HA LEU 12 -1.250 9.324 -7.863 70 1HB LEU 12 2HB LEU 12 -0.678 8.892 -10.274 71 2HB LEU 12 1HB LEU 12 0.663 9.715 -9.519 72 HG LEU 12 HG LEU 12 0.593 6.679 -9.579 73 1HD1 LEU 12 1HD1 LEU 12 1.683 8.517 -11.781 74 2HD1 LEU 12 2HD1 LEU 12 0.285 7.466 -11.944 75 3HD1 LEU 12 3HD1 LEU 12 1.882 6.772 -11.736 76 1HD2 LEU 12 1HD2 LEU 12 3.061 6.914 -9.596 77 2HD2 LEU 12 2HD2 LEU 12 2.394 7.706 -8.197 78 3HD2 LEU 12 3HD2 LEU 12 2.916 8.662 -9.575 79 H LYS 13 H LYS 13 -0.681 6.968 -6.336 80 HA LYS 13 HA LYS 13 -2.292 4.860 -7.707 81 1HB LYS 13 2HB LYS 13 -0.408 4.649 -5.323 82 2HB LYS 13 1HB LYS 13 -1.203 3.311 -6.122 83 1HG LYS 13 2HG LYS 13 0.051 3.792 -8.212 84 2HG LYS 13 1HG LYS 13 0.767 5.218 -7.480 85 1HD LYS 13 2HD LYS 13 1.832 3.739 -5.736 86 2HD LYS 13 1HD LYS 13 1.200 2.340 -6.585 87 1HE LYS 13 2HE LYS 13 3.538 2.767 -7.277 88 2HE LYS 13 1HE LYS 13 2.461 3.038 -8.639 89 1HZ LYS 13 1HZ LYS 13 3.399 5.201 -6.847 90 2HZ LYS 13 2HZ LYS 13 2.584 5.361 -8.327 91 3HZ LYS 13 3HZ LYS 13 4.176 4.772 -8.295 92 H LYS 14 H LYS 14 -4.166 4.178 -6.689 93 HA LYS 14 HA LYS 14 -5.279 5.988 -4.719 94 1HB LYS 14 2HB LYS 14 -6.355 3.289 -5.605 95 2HB LYS 14 1HB LYS 14 -7.212 4.521 -4.714 96 1HG LYS 14 2HG LYS 14 -7.975 4.657 -6.998 97 2HG LYS 14 1HG LYS 14 -7.015 6.080 -6.667 98 1HD LYS 14 2HD LYS 14 -5.126 5.204 -7.934 99 2HD LYS 14 1HD LYS 14 -5.853 3.606 -8.032 100 1HE LYS 14 2HE LYS 14 -7.672 4.577 -9.445 101 2HE LYS 14 1HE LYS 14 -6.924 6.162 -9.310 102 1HZ LYS 14 1HZ LYS 14 -6.308 5.087 -11.349 103 2HZ LYS 14 2HZ LYS 14 -5.681 3.757 -10.500 104 3HZ LYS 14 3HZ LYS 14 -4.945 5.280 -10.354 105 H CYS 15 H CYS 15 -5.845 5.538 -2.699 106 HA CYS 15 HA CYS 15 -4.689 3.143 -1.326 107 1HB CYS 15 2HB CYS 15 -3.866 4.563 0.463 108 2HB CYS 15 1HB CYS 15 -3.132 4.965 -1.061 109 H ARG 16 H ARG 16 -6.071 2.157 -0.088 110 HA ARG 16 HA ARG 16 -8.726 3.286 0.480 111 1HB ARG 16 2HB ARG 16 -7.480 0.654 1.459 112 2HB ARG 16 1HB ARG 16 -9.184 1.049 1.452 113 1HG ARG 16 2HG ARG 16 -7.450 0.749 -1.045 114 2HG ARG 16 1HG ARG 16 -8.557 -0.458 -0.431 115 1HD ARG 16 2HD ARG 16 -10.471 1.146 -0.761 116 2HD ARG 16 1HD ARG 16 -9.342 2.328 -1.409 117 HE ARG 16 HE ARG 16 -9.232 1.115 -3.403 118 1HH1 ARG 16 1HH1 ARG 16 -10.690 -0.800 -0.903 119 2HH1 ARG 16 2HH1 ARG 16 -11.163 -2.059 -1.994 120 1HH2 ARG 16 1HH2 ARG 16 -9.820 -0.468 -4.792 121 2HH2 ARG 16 2HH2 ARG 16 -10.663 -1.871 -4.224 122 H ARG 17 H ARG 17 -6.117 1.884 2.317 123 HA ARG 17 HA ARG 17 -6.630 3.696 4.644 124 1HB ARG 17 2HB ARG 17 -5.554 1.923 6.024 125 2HB ARG 17 1HB ARG 17 -6.971 1.305 5.201 126 1HG ARG 17 2HG ARG 17 -5.572 0.243 3.471 127 2HG ARG 17 1HG ARG 17 -4.114 0.931 4.172 128 1HD ARG 17 2HD ARG 17 -5.974 -1.014 5.600 129 2HD ARG 17 1HD ARG 17 -4.438 -1.441 4.847 130 HE ARG 17 HE ARG 17 -4.006 0.714 6.669 131 1HH1 ARG 17 1HH1 ARG 17 -4.790 -2.659 6.590 132 2HH1 ARG 17 2HH1 ARG 17 -4.067 -2.981 8.129 133 1HH2 ARG 17 1HH2 ARG 17 -3.084 0.333 8.619 134 2HH2 ARG 17 2HH2 ARG 17 -3.085 -1.261 9.298 135 H ASP 18 H ASP 18 -4.513 4.044 5.914 136 HA ASP 18 HA ASP 18 -2.710 5.512 4.455 137 1HB ASP 18 2HB ASP 18 -2.386 4.097 7.103 138 2HB ASP 18 1HB ASP 18 -1.375 5.408 6.541 139 H SER 19 H SER 19 -2.161 2.243 5.659 140 HA SER 19 HA SER 19 0.397 2.012 4.274 141 1HB SER 19 2HB SER 19 0.399 -0.241 5.278 142 2HB SER 19 1HB SER 19 -0.045 1.010 6.466 143 HG SER 19 HG SER 19 -2.230 0.561 6.000 144 H ASP 20 H ASP 20 -2.428 2.059 2.989 145 HA ASP 20 HA ASP 20 -2.574 -0.367 1.367 146 1HB ASP 20 2HB ASP 20 -4.501 1.271 1.896 147 2HB ASP 20 1HB ASP 20 -3.833 2.285 0.647 148 H CYS 21 H CYS 21 -0.797 2.462 1.335 149 HA CYS 21 HA CYS 21 -0.168 2.539 -1.537 150 1HB CYS 21 2HB CYS 21 -0.385 4.588 -0.272 151 2HB CYS 21 1HB CYS 21 0.927 4.102 0.779 152 HA PRO 22 HA PRO 22 3.500 -0.056 -0.951 153 1HB PRO 22 2HB PRO 22 4.916 1.382 -3.089 154 2HB PRO 22 1HB PRO 22 4.357 -0.283 -3.047 155 1HG PRO 22 2HG PRO 22 3.211 1.708 -4.612 156 2HG PRO 22 1HG PRO 22 2.352 0.260 -4.098 157 1HD PRO 22 2HD PRO 22 2.188 3.039 -3.024 158 2HD PRO 22 1HD PRO 22 0.903 1.828 -3.106 159 H GLY 23 H GLY 23 5.646 0.125 -0.160 160 1HA GLY 23 2HA GLY 23 7.440 1.166 1.000 161 2HA GLY 23 1HA GLY 23 6.928 2.694 0.281 162 H ALA 24 H ALA 24 7.602 3.407 2.380 163 HA ALA 24 HA ALA 24 5.933 2.842 4.707 164 1HB ALA 24 1HB ALA 24 8.330 3.403 4.916 165 2HB ALA 24 2HB ALA 24 7.360 4.597 5.765 166 3HB ALA 24 3HB ALA 24 8.049 4.973 4.189 167 H CYS 25 H CYS 25 4.972 4.103 2.064 168 HA CYS 25 HA CYS 25 4.068 6.749 2.560 169 1HB CYS 25 2HB CYS 25 2.974 4.575 0.831 170 2HB CYS 25 1HB CYS 25 2.318 6.185 0.807 171 H ILE 26 H ILE 26 2.068 7.579 2.909 172 HA ILE 26 HA ILE 26 0.243 5.973 4.624 173 HB ILE 26 HB ILE 26 -0.021 8.927 4.710 174 1HG1 ILE 26 2HG1 ILE 26 2.418 8.921 4.354 175 2HG1 ILE 26 1HG1 ILE 26 1.948 9.539 5.917 176 1HG2 ILE 26 1HG2 ILE 26 0.485 6.909 6.862 177 2HG2 ILE 26 2HG2 ILE 26 -1.066 7.530 6.305 178 3HG2 ILE 26 3HG2 ILE 26 0.069 8.606 7.109 179 1HD1 ILE 26 1HD1 ILE 26 3.047 6.730 5.404 180 2HD1 ILE 26 2HD1 ILE 26 2.628 7.376 6.975 181 3HD1 ILE 26 3HD1 ILE 26 3.956 8.067 6.065 182 H CYS 27 H CYS 27 -2.033 7.336 4.409 183 HA CYS 27 HA CYS 27 -2.526 7.542 1.454 184 1HB CYS 27 2HB CYS 27 -3.647 5.708 2.604 185 2HB CYS 27 1HB CYS 27 -4.448 6.822 3.684 186 H ARG 28 H ARG 28 -2.701 9.521 0.823 187 HA ARG 28 HA ARG 28 -3.136 11.771 2.546 188 1HB ARG 28 2HB ARG 28 -3.553 11.631 -0.443 189 2HB ARG 28 1HB ARG 28 -3.384 13.100 0.487 190 1HG ARG 28 2HG ARG 28 -1.111 12.394 1.204 191 2HG ARG 28 1HG ARG 28 -1.251 10.948 0.229 192 1HD ARG 28 2HD ARG 28 0.005 12.715 -1.021 193 2HD ARG 28 1HD ARG 28 -1.517 12.375 -1.822 194 HE ARG 28 HE ARG 28 -2.192 14.559 -1.327 195 1HH1 ARG 28 1HH1 ARG 28 0.412 13.621 0.767 196 2HH1 ARG 28 2HH1 ARG 28 0.556 15.195 1.472 197 1HH2 ARG 28 1HH2 ARG 28 -2.021 16.552 -0.449 198 2HH2 ARG 28 2HH2 ARG 28 -0.839 16.880 0.774 199 H GLY 29 H GLY 29 -4.872 13.365 2.157 200 1HA GLY 29 2HA GLY 29 -7.452 12.225 2.781 201 2HA GLY 29 1HA GLY 29 -7.113 13.935 2.541 202 H ASN 30 H ASN 30 -5.917 12.993 -0.153 203 HA ASN 30 HA ASN 30 -8.357 13.474 -1.704 204 1HB ASN 30 2HB ASN 30 -6.727 13.461 -3.655 205 2HB ASN 30 1HB ASN 30 -6.337 14.618 -2.394 206 1HD2 ASN 30 1HD2 ASN 30 -4.128 14.660 -2.143 207 2HD2 ASN 30 2HD2 ASN 30 -3.116 13.298 -2.125 208 H GLY 31 H GLY 31 -7.005 10.733 -0.459 209 1HA GLY 31 2HA GLY 31 -7.838 8.530 -0.721 210 2HA GLY 31 1HA GLY 31 -8.586 8.992 -2.239 211 H TYR 32 H TYR 32 -5.287 9.820 -1.772 212 HA TYR 32 HA TYR 32 -4.308 7.417 -3.227 213 1HB TYR 32 2HB TYR 32 -3.744 10.293 -4.074 214 2HB TYR 32 1HB TYR 32 -2.824 8.930 -4.634 215 HD1 TYR 32 HD1 TYR 32 -6.420 10.061 -4.507 216 HD2 TYR 32 HD2 TYR 32 -3.397 7.933 -6.615 217 HE1 TYR 32 HE1 TYR 32 -7.963 9.688 -6.369 218 HE2 TYR 32 HE2 TYR 32 -4.932 7.562 -8.471 219 HH TYR 32 HH TYR 32 -7.975 7.637 -8.373 220 H CYS 33 H CYS 33 -2.164 7.158 -3.199 221 HA CYS 33 HA CYS 33 -0.831 7.086 -0.811 222 1HB CYS 33 2HB CYS 33 0.203 7.302 -3.624 223 2HB CYS 33 1HB CYS 33 1.350 7.236 -2.326 224 H GLY 34 H GLY 34 0.904 8.125 0.197 225 1HA GLY 34 2HA GLY 34 2.486 10.113 0.067 226 2HA GLY 34 1HA GLY 34 1.083 11.073 -0.322 Start of MODEL 7 1 H SER 1 H SER 1 2.878 11.883 1.589 2 HA SER 1 HA SER 1 4.949 9.938 2.459 3 1HB SER 1 2HB SER 1 6.582 11.757 1.785 4 2HB SER 1 1HB SER 1 5.574 11.280 0.413 5 HG SER 1 HG SER 1 4.126 12.970 1.060 6 H GLY 2 H GLY 2 5.762 10.089 4.338 7 1HA GLY 2 2HA GLY 2 6.575 11.327 6.314 8 2HA GLY 2 1HA GLY 2 5.213 12.428 6.134 9 H SER 3 H SER 3 6.087 9.109 6.869 10 HA SER 3 HA SER 3 3.455 8.550 8.103 11 1HB SER 3 2HB SER 3 4.671 6.853 6.627 12 2HB SER 3 1HB SER 3 5.925 6.735 7.869 13 HG SER 3 HG SER 3 4.589 5.700 9.121 14 H ASP 4 H ASP 4 5.278 6.731 9.960 15 HA ASP 4 HA ASP 4 5.052 8.370 12.301 16 1HB ASP 4 2HB ASP 4 6.717 5.846 11.846 17 2HB ASP 4 1HB ASP 4 6.263 6.497 13.413 18 H GLY 5 H GLY 5 7.426 7.962 9.899 19 1HA GLY 5 2HA GLY 5 8.974 10.221 10.462 20 2HA GLY 5 1HA GLY 5 9.774 8.872 11.275 21 H GLY 6 H GLY 6 7.942 8.307 8.362 22 1HA GLY 6 2HA GLY 6 10.449 7.747 6.868 23 2HA GLY 6 1HA GLY 6 8.904 6.937 6.629 24 H VAL 7 H VAL 7 9.219 7.469 4.508 25 HA VAL 7 HA VAL 7 7.948 9.998 3.654 26 HB VAL 7 HB VAL 7 10.657 9.092 2.532 27 1HG1 VAL 7 1HG1 VAL 7 9.294 10.179 0.771 28 2HG1 VAL 7 2HG1 VAL 7 10.615 11.221 1.237 29 3HG1 VAL 7 3HG1 VAL 7 8.995 11.551 1.829 30 1HG2 VAL 7 1HG2 VAL 7 11.567 11.206 3.470 31 2HG2 VAL 7 2HG2 VAL 7 10.971 10.159 4.737 32 3HG2 VAL 7 3HG2 VAL 7 10.016 11.543 4.223 33 H CYS 8 H CYS 8 7.335 9.904 1.365 34 HA CYS 8 HA CYS 8 7.013 7.130 0.307 35 1HB CYS 8 2HB CYS 8 4.956 7.959 1.423 36 2HB CYS 8 1HB CYS 8 4.902 9.304 0.317 37 HA PRO 9 HA PRO 9 8.411 9.234 -3.434 38 1HB PRO 9 2HB PRO 9 7.693 7.229 -5.254 39 2HB PRO 9 1HB PRO 9 9.213 7.314 -4.377 40 1HG PRO 9 2HG PRO 9 6.910 5.523 -3.928 41 2HG PRO 9 1HG PRO 9 8.577 5.335 -3.404 42 1HD PRO 9 2HD PRO 9 6.363 6.141 -1.784 43 2HD PRO 9 1HD PRO 9 8.073 6.157 -1.313 44 H LYS 10 H LYS 10 7.493 10.153 -5.341 45 HA LYS 10 HA LYS 10 4.677 10.881 -5.022 46 1HB LYS 10 2HB LYS 10 6.713 11.593 -7.164 47 2HB LYS 10 1HB LYS 10 5.160 12.392 -6.964 48 1HG LYS 10 2HG LYS 10 5.870 12.964 -4.576 49 2HG LYS 10 1HG LYS 10 7.457 12.338 -4.952 50 1HD LYS 10 2HD LYS 10 6.133 14.655 -6.428 51 2HD LYS 10 1HD LYS 10 7.305 14.838 -5.144 52 1HE LYS 10 2HE LYS 10 8.514 15.084 -7.216 53 2HE LYS 10 1HE LYS 10 8.954 13.509 -6.579 54 1HZ LYS 10 1HZ LYS 10 8.049 12.485 -8.301 55 2HZ LYS 10 2HZ LYS 10 8.039 14.003 -9.062 56 3HZ LYS 10 3HZ LYS 10 6.644 13.440 -8.275 57 H ILE 11 H ILE 11 3.519 9.086 -5.390 58 HA ILE 11 HA ILE 11 3.485 7.975 -8.166 59 HB ILE 11 HB ILE 11 2.862 5.762 -7.116 60 1HG1 ILE 11 2HG1 ILE 11 3.501 7.244 -4.505 61 2HG1 ILE 11 1HG1 ILE 11 1.943 6.600 -4.969 62 1HG2 ILE 11 1HG2 ILE 11 5.523 6.953 -6.192 63 2HG2 ILE 11 2HG2 ILE 11 5.206 6.279 -7.782 64 3HG2 ILE 11 3HG2 ILE 11 5.190 5.240 -6.377 65 1HD1 ILE 11 1HD1 ILE 11 4.431 4.930 -4.435 66 2HD1 ILE 11 2HD1 ILE 11 2.862 4.297 -4.910 67 3HD1 ILE 11 3HD1 ILE 11 3.058 5.114 -3.370 68 H LEU 12 H LEU 12 1.548 7.538 -9.060 69 HA LEU 12 HA LEU 12 -0.796 8.896 -7.872 70 1HB LEU 12 2HB LEU 12 -0.371 7.620 -10.616 71 2HB LEU 12 1HB LEU 12 -1.784 8.549 -10.160 72 HG LEU 12 HG LEU 12 1.058 9.670 -10.176 73 1HD1 LEU 12 1HD1 LEU 12 0.255 9.132 -12.470 74 2HD1 LEU 12 2HD1 LEU 12 0.331 10.868 -12.233 75 3HD1 LEU 12 3HD1 LEU 12 -1.218 10.042 -12.177 76 1HD2 LEU 12 1HD2 LEU 12 -0.483 10.857 -8.597 77 2HD2 LEU 12 2HD2 LEU 12 -1.649 11.059 -9.895 78 3HD2 LEU 12 3HD2 LEU 12 -0.091 11.867 -9.971 79 H LYS 13 H LYS 13 0.052 6.575 -6.602 80 HA LYS 13 HA LYS 13 -1.843 4.446 -7.348 81 1HB LYS 13 2HB LYS 13 0.266 4.675 -5.149 82 2HB LYS 13 1HB LYS 13 -0.735 3.255 -5.358 83 1HG LYS 13 2HG LYS 13 0.886 4.283 -7.705 84 2HG LYS 13 1HG LYS 13 1.690 3.388 -6.443 85 1HD LYS 13 2HD LYS 13 1.068 1.851 -8.225 86 2HD LYS 13 1HD LYS 13 0.179 1.466 -6.771 87 1HE LYS 13 2HE LYS 13 -1.214 1.338 -8.842 88 2HE LYS 13 1HE LYS 13 -1.873 2.466 -7.685 89 1HZ LYS 13 1HZ LYS 13 -1.755 4.024 -9.239 90 2HZ LYS 13 2HZ LYS 13 -1.077 2.914 -10.329 91 3HZ LYS 13 3HZ LYS 13 -0.070 3.845 -9.329 92 H LYS 14 H LYS 14 -3.744 4.258 -6.520 93 HA LYS 14 HA LYS 14 -4.788 6.186 -4.647 94 1HB LYS 14 2HB LYS 14 -6.026 3.601 -5.667 95 2HB LYS 14 1HB LYS 14 -6.847 4.820 -4.728 96 1HG LYS 14 2HG LYS 14 -7.423 5.097 -7.103 97 2HG LYS 14 1HG LYS 14 -6.582 6.498 -6.489 98 1HD LYS 14 2HD LYS 14 -5.818 5.893 -8.755 99 2HD LYS 14 1HD LYS 14 -4.493 5.790 -7.632 100 1HE LYS 14 2HE LYS 14 -4.938 3.251 -7.519 101 2HE LYS 14 1HE LYS 14 -6.127 3.489 -8.791 102 1HZ LYS 14 1HZ LYS 14 -4.447 4.317 -10.231 103 2HZ LYS 14 2HZ LYS 14 -3.918 2.834 -9.593 104 3HZ LYS 14 3HZ LYS 14 -3.286 4.293 -8.993 105 H CYS 15 H CYS 15 -5.655 5.747 -2.643 106 HA CYS 15 HA CYS 15 -4.730 3.291 -1.229 107 1HB CYS 15 2HB CYS 15 -3.893 4.629 0.620 108 2HB CYS 15 1HB CYS 15 -3.045 4.955 -0.863 109 H ARG 16 H ARG 16 -6.144 2.418 0.017 110 HA ARG 16 HA ARG 16 -8.778 3.636 0.488 111 1HB ARG 16 2HB ARG 16 -7.626 0.966 1.443 112 2HB ARG 16 1HB ARG 16 -9.316 1.429 1.495 113 1HG ARG 16 2HG ARG 16 -9.385 1.551 -0.981 114 2HG ARG 16 1HG ARG 16 -7.675 1.166 -1.069 115 1HD ARG 16 2HD ARG 16 -9.034 -0.868 -1.465 116 2HD ARG 16 1HD ARG 16 -8.118 -1.034 0.030 117 HE ARG 16 HE ARG 16 -10.757 0.092 0.478 118 1HH1 ARG 16 1HH1 ARG 16 -8.964 -2.834 -0.020 119 2HH1 ARG 16 2HH1 ARG 16 -10.122 -3.817 0.809 120 1HH2 ARG 16 1HH2 ARG 16 -12.234 -1.135 1.530 121 2HH2 ARG 16 2HH2 ARG 16 -12.002 -2.844 1.699 122 H ARG 17 H ARG 17 -6.105 2.369 2.262 123 HA ARG 17 HA ARG 17 -6.597 4.113 4.632 124 1HB ARG 17 2HB ARG 17 -5.719 2.218 6.037 125 2HB ARG 17 1HB ARG 17 -7.194 1.755 5.206 126 1HG ARG 17 2HG ARG 17 -5.869 0.673 3.429 127 2HG ARG 17 1HG ARG 17 -4.366 1.131 4.214 128 1HD ARG 17 2HD ARG 17 -5.034 -0.273 6.185 129 2HD ARG 17 1HD ARG 17 -6.468 -0.789 5.299 130 HE ARG 17 HE ARG 17 -3.757 -1.705 4.854 131 1HH1 ARG 17 1HH1 ARG 17 -6.777 -1.033 3.276 132 2HH1 ARG 17 2HH1 ARG 17 -6.465 -2.133 1.977 133 1HH2 ARG 17 1HH2 ARG 17 -3.356 -3.101 3.223 134 2HH2 ARG 17 2HH2 ARG 17 -4.508 -3.323 1.948 135 H ASP 18 H ASP 18 -4.421 4.184 5.934 136 HA ASP 18 HA ASP 18 -2.481 5.433 4.427 137 1HB ASP 18 2HB ASP 18 -2.304 4.040 7.111 138 2HB ASP 18 1HB ASP 18 -1.133 5.190 6.509 139 H SER 19 H SER 19 -2.326 2.168 5.715 140 HA SER 19 HA SER 19 0.171 1.528 4.407 141 1HB SER 19 2HB SER 19 -0.274 -0.727 5.330 142 2HB SER 19 1HB SER 19 -0.547 0.561 6.529 143 HG SER 19 HG SER 19 -2.527 -0.612 4.867 144 H ASP 20 H ASP 20 -2.647 1.964 3.010 145 HA ASP 20 HA ASP 20 -2.854 -0.384 1.262 146 1HB ASP 20 2HB ASP 20 -4.736 1.280 1.898 147 2HB ASP 20 1HB ASP 20 -4.052 2.326 0.682 148 H CYS 21 H CYS 21 -0.986 2.367 1.445 149 HA CYS 21 HA CYS 21 -0.316 2.663 -1.414 150 1HB CYS 21 2HB CYS 21 -0.462 4.607 0.008 151 2HB CYS 21 1HB CYS 21 0.795 3.974 1.049 152 HA PRO 22 HA PRO 22 3.216 -0.151 -0.872 153 1HB PRO 22 2HB PRO 22 4.718 1.075 -3.036 154 2HB PRO 22 1HB PRO 22 3.858 -0.456 -3.038 155 1HG PRO 22 2HG PRO 22 3.094 1.844 -4.465 156 2HG PRO 22 1HG PRO 22 2.058 0.460 -4.143 157 1HD PRO 22 2HD PRO 22 2.107 3.121 -2.814 158 2HD PRO 22 1HD PRO 22 0.742 2.021 -3.000 159 H GLY 23 H GLY 23 5.630 0.035 -0.448 160 1HA GLY 23 2HA GLY 23 7.484 1.108 0.575 161 2HA GLY 23 1HA GLY 23 6.772 2.646 0.103 162 H ALA 24 H ALA 24 7.589 3.345 2.112 163 HA ALA 24 HA ALA 24 6.284 2.400 4.590 164 1HB ALA 24 1HB ALA 24 8.695 2.984 4.558 165 2HB ALA 24 2HB ALA 24 7.822 4.049 5.652 166 3HB ALA 24 3HB ALA 24 8.301 4.620 4.057 167 H CYS 25 H CYS 25 5.087 3.839 2.220 168 HA CYS 25 HA CYS 25 4.183 6.422 2.860 169 1HB CYS 25 2HB CYS 25 2.871 4.274 1.242 170 2HB CYS 25 1HB CYS 25 2.465 5.963 1.143 171 H ILE 26 H ILE 26 1.968 7.012 2.912 172 HA ILE 26 HA ILE 26 0.176 5.511 4.757 173 HB ILE 26 HB ILE 26 -0.345 7.790 5.832 174 1HG1 ILE 26 2HG1 ILE 26 0.844 9.151 3.989 175 2HG1 ILE 26 1HG1 ILE 26 1.009 9.681 5.646 176 1HG2 ILE 26 1HG2 ILE 26 0.898 6.107 7.047 177 2HG2 ILE 26 2HG2 ILE 26 1.549 7.693 7.413 178 3HG2 ILE 26 3HG2 ILE 26 2.403 6.620 6.311 179 1HD1 ILE 26 1HD1 ILE 26 3.240 8.632 5.788 180 2HD1 ILE 26 2HD1 ILE 26 3.151 9.780 4.474 181 3HD1 ILE 26 3HD1 ILE 26 3.125 8.064 4.141 182 H CYS 27 H CYS 27 -1.830 7.494 4.680 183 HA CYS 27 HA CYS 27 -2.318 7.799 1.738 184 1HB CYS 27 2HB CYS 27 -3.427 5.852 2.601 185 2HB CYS 27 1HB CYS 27 -4.277 6.800 3.795 186 H ARG 28 H ARG 28 -2.922 9.610 1.047 187 HA ARG 28 HA ARG 28 -3.479 11.869 2.825 188 1HB ARG 28 2HB ARG 28 -3.664 11.697 -0.185 189 2HB ARG 28 1HB ARG 28 -3.647 13.177 0.739 190 1HG ARG 28 2HG ARG 28 -1.372 11.171 0.715 191 2HG ARG 28 1HG ARG 28 -1.420 12.601 -0.289 192 1HD ARG 28 2HD ARG 28 -1.627 13.979 1.875 193 2HD ARG 28 1HD ARG 28 -1.319 12.484 2.761 194 HE ARG 28 HE ARG 28 0.693 12.875 0.749 195 1HH1 ARG 28 1HH1 ARG 28 -0.380 14.010 3.843 196 2HH1 ARG 28 2HH1 ARG 28 1.203 14.515 4.330 197 1HH2 ARG 28 1HH2 ARG 28 2.699 13.505 1.344 198 2HH2 ARG 28 2HH2 ARG 28 2.972 14.229 2.894 199 H GLY 29 H GLY 29 -5.329 13.314 2.271 200 1HA GLY 29 2HA GLY 29 -7.833 11.862 2.618 201 2HA GLY 29 1HA GLY 29 -7.642 13.612 2.578 202 H ASN 30 H ASN 30 -6.099 12.947 -0.071 203 HA ASN 30 HA ASN 30 -8.371 13.496 -1.822 204 1HB ASN 30 2HB ASN 30 -6.552 13.607 -3.596 205 2HB ASN 30 1HB ASN 30 -6.296 14.680 -2.232 206 1HD2 ASN 30 1HD2 ASN 30 -4.100 14.711 -1.815 207 2HD2 ASN 30 2HD2 ASN 30 -3.097 13.343 -1.758 208 H GLY 31 H GLY 31 -7.099 10.676 -0.641 209 1HA GLY 31 2HA GLY 31 -7.903 8.495 -1.128 210 2HA GLY 31 1HA GLY 31 -8.485 9.055 -2.687 211 H TYR 32 H TYR 32 -5.274 9.857 -1.766 212 HA TYR 32 HA TYR 32 -4.082 7.574 -3.249 213 1HB TYR 32 2HB TYR 32 -3.456 10.500 -3.866 214 2HB TYR 32 1HB TYR 32 -2.531 9.148 -4.451 215 HD1 TYR 32 HD1 TYR 32 -6.032 10.501 -4.530 216 HD2 TYR 32 HD2 TYR 32 -3.067 8.140 -6.470 217 HE1 TYR 32 HE1 TYR 32 -7.481 10.283 -6.491 218 HE2 TYR 32 HE2 TYR 32 -4.514 7.929 -8.429 219 HH TYR 32 HH TYR 32 -7.072 8.030 -8.837 220 H CYS 33 H CYS 33 -1.954 7.339 -2.971 221 HA CYS 33 HA CYS 33 -0.928 7.167 -0.454 222 1HB CYS 33 2HB CYS 33 0.444 7.562 -3.108 223 2HB CYS 33 1HB CYS 33 1.418 7.359 -1.686 224 H GLY 34 H GLY 34 0.653 8.136 0.793 225 1HA GLY 34 2HA GLY 34 1.176 11.042 0.374 226 2HA GLY 34 1HA GLY 34 0.466 10.494 1.893 Start of MODEL 8 1 H SER 1 H SER 1 2.936 11.836 0.649 2 HA SER 1 HA SER 1 3.160 10.623 3.325 3 1HB SER 1 2HB SER 1 4.882 12.465 3.652 4 2HB SER 1 1HB SER 1 5.213 11.484 2.219 5 HG SER 1 HG SER 1 4.099 13.011 0.980 6 H GLY 2 H GLY 2 0.702 11.111 3.341 7 1HA GLY 2 2HA GLY 2 -0.359 13.705 3.726 8 2HA GLY 2 1HA GLY 2 -1.069 12.230 4.367 9 H SER 3 H SER 3 1.712 11.994 5.761 10 HA SER 3 HA SER 3 1.444 14.020 7.903 11 1HB SER 3 2HB SER 3 1.327 10.991 8.418 12 2HB SER 3 1HB SER 3 1.428 12.228 9.679 13 HG SER 3 HG SER 3 -0.448 13.152 8.346 14 H ASP 4 H ASP 4 3.298 14.200 9.193 15 HA ASP 4 HA ASP 4 5.776 13.909 7.816 16 1HB ASP 4 2HB ASP 4 5.252 14.370 10.789 17 2HB ASP 4 1HB ASP 4 6.791 14.648 9.988 18 H GLY 5 H GLY 5 4.143 11.955 10.137 19 1HA GLY 5 2HA GLY 5 6.356 10.087 10.596 20 2HA GLY 5 1HA GLY 5 4.704 9.919 11.196 21 H GLY 6 H GLY 6 6.728 9.641 8.350 22 1HA GLY 6 2HA GLY 6 6.444 7.372 7.186 23 2HA GLY 6 1HA GLY 6 4.747 7.828 7.031 24 H VAL 7 H VAL 7 7.880 8.151 5.761 25 HA VAL 7 HA VAL 7 7.216 10.427 3.982 26 HB VAL 7 HB VAL 7 9.714 8.665 4.092 27 1HG1 VAL 7 1HG1 VAL 7 9.245 11.378 2.775 28 2HG1 VAL 7 2HG1 VAL 7 9.440 9.854 1.925 29 3HG1 VAL 7 3HG1 VAL 7 10.782 10.530 2.827 30 1HG2 VAL 7 1HG2 VAL 7 10.756 10.552 5.352 31 2HG2 VAL 7 2HG2 VAL 7 9.380 9.914 6.233 32 3HG2 VAL 7 3HG2 VAL 7 9.226 11.414 5.331 33 H CYS 8 H CYS 8 6.357 10.087 2.066 34 HA CYS 8 HA CYS 8 5.987 7.325 1.137 35 1HB CYS 8 2HB CYS 8 4.078 8.783 1.322 36 2HB CYS 8 1HB CYS 8 4.762 9.868 0.142 37 HA PRO 9 HA PRO 9 8.225 7.975 -2.859 38 1HB PRO 9 2HB PRO 9 7.005 5.474 -3.625 39 2HB PRO 9 1HB PRO 9 8.706 5.802 -3.358 40 1HG PRO 9 2HG PRO 9 6.823 4.391 -1.623 41 2HG PRO 9 1HG PRO 9 8.576 4.451 -1.523 42 1HD PRO 9 2HD PRO 9 6.771 5.740 0.226 43 2HD PRO 9 1HD PRO 9 8.502 6.078 0.118 44 H LYS 10 H LYS 10 6.819 9.680 -3.034 45 HA LYS 10 HA LYS 10 4.016 9.701 -3.193 46 1HB LYS 10 2HB LYS 10 6.037 11.516 -4.560 47 2HB LYS 10 1HB LYS 10 4.322 11.864 -4.423 48 1HG LYS 10 2HG LYS 10 4.476 11.918 -1.969 49 2HG LYS 10 1HG LYS 10 6.146 11.391 -2.019 50 1HD LYS 10 2HD LYS 10 6.115 13.807 -1.667 51 2HD LYS 10 1HD LYS 10 6.759 13.482 -3.262 52 1HE LYS 10 2HE LYS 10 4.539 14.016 -4.277 53 2HE LYS 10 1HE LYS 10 3.878 14.313 -2.674 54 1HZ LYS 10 1HZ LYS 10 4.468 16.373 -3.572 55 2HZ LYS 10 2HZ LYS 10 5.991 15.824 -4.081 56 3HZ LYS 10 3HZ LYS 10 5.666 16.017 -2.422 57 H ILE 11 H ILE 11 2.723 8.685 -4.520 58 HA ILE 11 HA ILE 11 3.192 8.736 -7.450 59 HB ILE 11 HB ILE 11 2.568 6.295 -7.622 60 1HG1 ILE 11 2HG1 ILE 11 2.885 6.282 -4.581 61 2HG1 ILE 11 1HG1 ILE 11 1.375 6.089 -5.449 62 1HG2 ILE 11 1HG2 ILE 11 4.943 6.989 -7.697 63 2HG2 ILE 11 2HG2 ILE 11 4.793 5.415 -6.951 64 3HG2 ILE 11 3HG2 ILE 11 5.066 6.829 -5.953 65 1HD1 ILE 11 1HD1 ILE 11 2.228 4.013 -6.512 66 2HD1 ILE 11 2HD1 ILE 11 2.233 3.896 -4.763 67 3HD1 ILE 11 3HD1 ILE 11 3.734 4.169 -5.621 68 H LEU 12 H LEU 12 1.286 8.337 -8.662 69 HA LEU 12 HA LEU 12 -1.131 9.376 -7.344 70 1HB LEU 12 2HB LEU 12 -2.040 9.562 -9.632 71 2HB LEU 12 1HB LEU 12 -0.489 10.343 -9.501 72 HG LEU 12 HG LEU 12 -0.459 7.465 -10.446 73 1HD1 LEU 12 1HD1 LEU 12 -1.302 9.826 -12.207 74 2HD1 LEU 12 2HD1 LEU 12 -2.346 8.499 -11.722 75 3HD1 LEU 12 3HD1 LEU 12 -0.974 8.195 -12.771 76 1HD2 LEU 12 1HD2 LEU 12 1.687 8.824 -10.246 77 2HD2 LEU 12 2HD2 LEU 12 1.017 9.986 -11.369 78 3HD2 LEU 12 3HD2 LEU 12 1.360 8.349 -11.895 79 H LYS 13 H LYS 13 -0.444 6.818 -6.514 80 HA LYS 13 HA LYS 13 -2.287 4.893 -7.801 81 1HB LYS 13 2HB LYS 13 0.000 4.247 -6.914 82 2HB LYS 13 1HB LYS 13 -0.566 4.623 -5.311 83 1HG LYS 13 2HG LYS 13 -2.394 2.915 -5.543 84 2HG LYS 13 1HG LYS 13 -1.755 2.483 -7.121 85 1HD LYS 13 2HD LYS 13 0.388 1.815 -6.092 86 2HD LYS 13 1HD LYS 13 -0.180 2.351 -4.521 87 1HE LYS 13 2HE LYS 13 -2.021 0.661 -4.616 88 2HE LYS 13 1HE LYS 13 -1.428 0.117 -6.181 89 1HZ LYS 13 1HZ LYS 13 -0.032 -0.033 -3.580 90 2HZ LYS 13 2HZ LYS 13 0.718 -0.358 -5.069 91 3HZ LYS 13 3HZ LYS 13 -0.580 -1.320 -4.543 92 H LYS 14 H LYS 14 -4.152 4.032 -6.620 93 HA LYS 14 HA LYS 14 -5.308 6.005 -4.784 94 1HB LYS 14 2HB LYS 14 -6.346 3.315 -5.684 95 2HB LYS 14 1HB LYS 14 -7.238 4.492 -4.738 96 1HG LYS 14 2HG LYS 14 -7.028 6.163 -6.543 97 2HG LYS 14 1HG LYS 14 -6.152 5.023 -7.545 98 1HD LYS 14 2HD LYS 14 -9.004 4.680 -6.530 99 2HD LYS 14 1HD LYS 14 -8.573 5.192 -8.148 100 1HE LYS 14 2HE LYS 14 -7.917 2.471 -6.912 101 2HE LYS 14 1HE LYS 14 -9.109 2.788 -8.159 102 1HZ LYS 14 1HZ LYS 14 -7.254 2.040 -9.285 103 2HZ LYS 14 2HZ LYS 14 -6.178 2.969 -8.356 104 3HZ LYS 14 3HZ LYS 14 -7.197 3.726 -9.486 105 H CYS 15 H CYS 15 -5.960 5.567 -2.738 106 HA CYS 15 HA CYS 15 -4.811 3.208 -1.315 107 1HB CYS 15 2HB CYS 15 -3.954 4.632 0.461 108 2HB CYS 15 1HB CYS 15 -3.195 4.961 -1.067 109 H ARG 16 H ARG 16 -6.164 2.249 -0.011 110 HA ARG 16 HA ARG 16 -8.776 3.371 0.600 111 1HB ARG 16 2HB ARG 16 -8.503 1.034 -0.021 112 2HB ARG 16 1HB ARG 16 -7.258 0.813 1.188 113 1HG ARG 16 2HG ARG 16 -8.985 1.253 2.975 114 2HG ARG 16 1HG ARG 16 -10.209 1.275 1.712 115 1HD ARG 16 2HD ARG 16 -8.214 -0.981 2.093 116 2HD ARG 16 1HD ARG 16 -9.827 -1.017 2.802 117 HE ARG 16 HE ARG 16 -9.134 -1.443 -0.004 118 1HH1 ARG 16 1HH1 ARG 16 -11.615 -0.427 2.198 119 2HH1 ARG 16 2HH1 ARG 16 -12.897 -0.807 1.099 120 1HH2 ARG 16 1HH2 ARG 16 -10.743 -1.925 -1.406 121 2HH2 ARG 16 2HH2 ARG 16 -12.399 -1.666 -0.970 122 H ARG 17 H ARG 17 -6.102 2.008 2.373 123 HA ARG 17 HA ARG 17 -6.508 3.875 4.677 124 1HB ARG 17 2HB ARG 17 -5.502 2.090 6.086 125 2HB ARG 17 1HB ARG 17 -6.926 1.477 5.268 126 1HG ARG 17 2HG ARG 17 -5.469 0.419 3.530 127 2HG ARG 17 1HG ARG 17 -4.039 1.033 4.344 128 1HD ARG 17 2HD ARG 17 -4.386 -1.296 4.991 129 2HD ARG 17 1HD ARG 17 -4.730 -0.283 6.392 130 HE ARG 17 HE ARG 17 -7.133 -0.709 4.879 131 1HH1 ARG 17 1HH1 ARG 17 -4.900 -2.299 7.000 132 2HH1 ARG 17 2HH1 ARG 17 -6.087 -3.409 7.600 133 1HH2 ARG 17 1HH2 ARG 17 -8.647 -2.103 5.622 134 2HH2 ARG 17 2HH2 ARG 17 -8.241 -3.297 6.811 135 H ASP 18 H ASP 18 -4.309 4.114 5.893 136 HA ASP 18 HA ASP 18 -2.516 5.424 4.209 137 1HB ASP 18 2HB ASP 18 -2.225 4.297 7.009 138 2HB ASP 18 1HB ASP 18 -1.080 5.396 6.275 139 H SER 19 H SER 19 -2.147 2.291 5.749 140 HA SER 19 HA SER 19 0.346 1.686 4.407 141 1HB SER 19 2HB SER 19 0.064 -0.487 5.500 142 2HB SER 19 1HB SER 19 -0.287 0.867 6.610 143 HG SER 19 HG SER 19 -2.515 0.619 5.939 144 H ASP 20 H ASP 20 -2.345 2.049 2.958 145 HA ASP 20 HA ASP 20 -2.670 -0.448 1.427 146 1HB ASP 20 2HB ASP 20 -4.548 1.273 1.854 147 2HB ASP 20 1HB ASP 20 -3.750 2.276 0.669 148 H CYS 21 H CYS 21 -0.797 2.347 1.377 149 HA CYS 21 HA CYS 21 -0.081 2.261 -1.466 150 1HB CYS 21 2HB CYS 21 -0.325 4.374 -0.233 151 2HB CYS 21 1HB CYS 21 1.059 3.940 0.749 152 HA PRO 22 HA PRO 22 3.605 -0.245 -0.610 153 1HB PRO 22 2HB PRO 22 5.001 0.765 -2.946 154 2HB PRO 22 1HB PRO 22 4.243 -0.802 -2.711 155 1HG PRO 22 2HG PRO 22 3.314 1.218 -4.433 156 2HG PRO 22 1HG PRO 22 2.370 -0.161 -3.887 157 1HD PRO 22 2HD PRO 22 2.298 2.667 -2.946 158 2HD PRO 22 1HD PRO 22 0.989 1.482 -2.952 159 H GLY 23 H GLY 23 5.871 0.037 -0.106 160 1HA GLY 23 2HA GLY 23 7.731 1.232 0.760 161 2HA GLY 23 1HA GLY 23 7.081 2.674 -0.017 162 H ALA 24 H ALA 24 7.892 3.650 1.899 163 HA ALA 24 HA ALA 24 6.519 3.197 4.445 164 1HB ALA 24 1HB ALA 24 8.501 5.314 3.517 165 2HB ALA 24 2HB ALA 24 8.886 3.838 4.372 166 3HB ALA 24 3HB ALA 24 7.975 5.102 5.185 167 H CYS 25 H CYS 25 5.233 4.133 1.847 168 HA CYS 25 HA CYS 25 4.212 6.778 2.225 169 1HB CYS 25 2HB CYS 25 3.206 4.423 0.647 170 2HB CYS 25 1HB CYS 25 2.398 5.959 0.607 171 H ILE 26 H ILE 26 1.971 7.293 2.318 172 HA ILE 26 HA ILE 26 0.330 5.589 4.115 173 HB ILE 26 HB ILE 26 -0.139 7.808 5.442 174 1HG1 ILE 26 2HG1 ILE 26 2.377 8.593 3.920 175 2HG1 ILE 26 1HG1 ILE 26 0.854 9.458 4.092 176 1HG2 ILE 26 1HG2 ILE 26 1.052 5.844 6.360 177 2HG2 ILE 26 2HG2 ILE 26 1.746 7.325 6.978 178 3HG2 ILE 26 3HG2 ILE 26 2.569 6.437 5.705 179 1HD1 ILE 26 1HD1 ILE 26 2.647 10.476 5.385 180 2HD1 ILE 26 2HD1 ILE 26 2.877 8.998 6.284 181 3HD1 ILE 26 3HD1 ILE 26 1.365 9.894 6.443 182 H CYS 27 H CYS 27 -1.870 7.150 4.259 183 HA CYS 27 HA CYS 27 -2.493 7.611 1.371 184 1HB CYS 27 2HB CYS 27 -3.691 5.868 2.603 185 2HB CYS 27 1HB CYS 27 -4.411 7.070 3.639 186 H ARG 28 H ARG 28 -2.778 9.453 0.621 187 HA ARG 28 HA ARG 28 -2.866 11.869 2.210 188 1HB ARG 28 2HB ARG 28 -3.483 11.467 -0.718 189 2HB ARG 28 1HB ARG 28 -3.240 13.023 0.018 190 1HG ARG 28 2HG ARG 28 -1.135 10.826 0.009 191 2HG ARG 28 1HG ARG 28 -1.195 12.110 -1.181 192 1HD ARG 28 2HD ARG 28 -0.876 12.553 1.827 193 2HD ARG 28 1HD ARG 28 0.414 12.649 0.647 194 HE ARG 28 HE ARG 28 -0.595 14.611 -0.315 195 1HH1 ARG 28 1HH1 ARG 28 -2.193 13.498 2.575 196 2HH1 ARG 28 2HH1 ARG 28 -2.993 15.009 2.821 197 1HH2 ARG 28 1HH2 ARG 28 -1.591 16.502 0.006 198 2HH2 ARG 28 2HH2 ARG 28 -2.647 16.731 1.359 199 H GLY 29 H GLY 29 -4.495 13.557 1.755 200 1HA GLY 29 2HA GLY 29 -7.096 12.679 2.686 201 2HA GLY 29 1HA GLY 29 -6.646 14.335 2.283 202 H ASN 30 H ASN 30 -5.704 13.142 -0.385 203 HA ASN 30 HA ASN 30 -8.202 13.643 -1.832 204 1HB ASN 30 2HB ASN 30 -6.649 13.402 -3.853 205 2HB ASN 30 1HB ASN 30 -6.182 14.649 -2.710 206 1HD2 ASN 30 1HD2 ASN 30 -3.981 14.627 -2.398 207 2HD2 ASN 30 2HD2 ASN 30 -3.008 13.236 -2.356 208 H GLY 31 H GLY 31 -6.714 10.940 -0.546 209 1HA GLY 31 2HA GLY 31 -7.620 8.746 -0.538 210 2HA GLY 31 1HA GLY 31 -8.534 9.112 -1.990 211 H TYR 32 H TYR 32 -5.160 9.857 -1.846 212 HA TYR 32 HA TYR 32 -4.426 7.387 -3.352 213 1HB TYR 32 2HB TYR 32 -3.685 10.216 -4.218 214 2HB TYR 32 1HB TYR 32 -3.029 8.776 -4.923 215 HD1 TYR 32 HD1 TYR 32 -6.371 10.391 -4.309 216 HD2 TYR 32 HD2 TYR 32 -4.048 7.833 -6.793 217 HE1 TYR 32 HE1 TYR 32 -8.217 10.263 -5.909 218 HE2 TYR 32 HE2 TYR 32 -5.891 7.709 -8.391 219 HH TYR 32 HH TYR 32 -8.400 9.792 -8.474 220 H CYS 33 H CYS 33 -2.224 6.984 -3.410 221 HA CYS 33 HA CYS 33 -0.859 7.013 -1.016 222 1HB CYS 33 2HB CYS 33 0.114 6.866 -3.867 223 2HB CYS 33 1HB CYS 33 1.300 6.902 -2.611 224 H GLY 34 H GLY 34 0.899 8.050 -0.118 225 1HA GLY 34 2HA GLY 34 2.472 10.075 -0.918 226 2HA GLY 34 1HA GLY 34 0.961 10.941 -0.658 Start of MODEL 9 1 H SER 1 H SER 1 2.851 11.919 1.301 2 HA SER 1 HA SER 1 4.989 10.051 2.246 3 1HB SER 1 2HB SER 1 6.595 11.771 1.279 4 2HB SER 1 1HB SER 1 5.526 11.122 0.032 5 HG SER 1 HG SER 1 4.150 13.026 1.065 6 H GLY 2 H GLY 2 4.769 10.188 4.421 7 1HA GLY 2 2HA GLY 2 5.210 11.061 6.547 8 2HA GLY 2 1HA GLY 2 5.788 12.529 5.779 9 H SER 3 H SER 3 3.458 11.222 7.710 10 HA SER 3 HA SER 3 1.844 13.673 7.699 11 1HB SER 3 2HB SER 3 -0.327 12.352 7.501 12 2HB SER 3 1HB SER 3 0.649 12.192 6.037 13 HG SER 3 HG SER 3 1.632 10.349 7.367 14 H ASP 4 H ASP 4 2.153 10.497 8.874 15 HA ASP 4 HA ASP 4 1.798 11.334 11.712 16 1HB ASP 4 2HB ASP 4 0.947 8.968 12.021 17 2HB ASP 4 1HB ASP 4 -0.123 9.996 11.094 18 H GLY 5 H GLY 5 3.457 9.408 9.402 19 1HA GLY 5 2HA GLY 5 6.026 9.406 10.281 20 2HA GLY 5 1HA GLY 5 5.306 8.112 11.262 21 H GLY 6 H GLY 6 6.571 8.929 8.196 22 1HA GLY 6 2HA GLY 6 6.827 6.425 7.144 23 2HA GLY 6 1HA GLY 6 5.208 6.928 6.629 24 H VAL 7 H VAL 7 7.463 6.460 5.024 25 HA VAL 7 HA VAL 7 7.925 9.151 3.776 26 HB VAL 7 HB VAL 7 9.745 6.691 3.735 27 1HG1 VAL 7 1HG1 VAL 7 10.203 9.509 2.641 28 2HG1 VAL 7 2HG1 VAL 7 9.948 8.072 1.664 29 3HG1 VAL 7 3HG1 VAL 7 11.390 8.214 2.649 30 1HG2 VAL 7 1HG2 VAL 7 11.254 8.075 5.158 31 2HG2 VAL 7 2HG2 VAL 7 9.716 7.818 5.957 32 3HG2 VAL 7 3HG2 VAL 7 10.057 9.360 5.191 33 H CYS 8 H CYS 8 7.640 9.290 1.553 34 HA CYS 8 HA CYS 8 6.896 6.848 0.077 35 1HB CYS 8 2HB CYS 8 4.875 7.864 1.269 36 2HB CYS 8 1HB CYS 8 4.968 9.184 0.146 37 HA PRO 9 HA PRO 9 8.610 9.368 -3.260 38 1HB PRO 9 2HB PRO 9 7.907 7.650 -5.353 39 2HB PRO 9 1HB PRO 9 9.377 7.537 -4.397 40 1HG PRO 9 2HG PRO 9 6.991 5.814 -4.328 41 2HG PRO 9 1HG PRO 9 8.601 5.496 -3.704 42 1HD PRO 9 2HD PRO 9 6.267 6.245 -2.190 43 2HD PRO 9 1HD PRO 9 7.917 6.013 -1.578 44 H LYS 10 H LYS 10 7.713 9.994 -5.546 45 HA LYS 10 HA LYS 10 5.001 11.119 -5.103 46 1HB LYS 10 2HB LYS 10 7.107 11.713 -7.232 47 2HB LYS 10 1HB LYS 10 5.605 12.598 -7.017 48 1HG LYS 10 2HG LYS 10 6.319 13.208 -4.695 49 2HG LYS 10 1HG LYS 10 7.830 12.352 -4.943 50 1HD LYS 10 2HD LYS 10 8.381 13.855 -6.858 51 2HD LYS 10 1HD LYS 10 6.879 14.729 -6.602 52 1HE LYS 10 2HE LYS 10 9.124 14.488 -4.549 53 2HE LYS 10 1HE LYS 10 8.803 15.902 -5.542 54 1HZ LYS 10 1HZ LYS 10 6.490 15.817 -4.541 55 2HZ LYS 10 2HZ LYS 10 7.762 16.343 -3.544 56 3HZ LYS 10 3HZ LYS 10 7.153 14.766 -3.385 57 H ILE 11 H ILE 11 3.789 9.302 -5.460 58 HA ILE 11 HA ILE 11 3.588 8.375 -8.296 59 HB ILE 11 HB ILE 11 3.136 6.121 -7.580 60 1HG1 ILE 11 2HG1 ILE 11 1.850 6.443 -5.512 61 2HG1 ILE 11 1HG1 ILE 11 3.161 5.324 -5.256 62 1HG2 ILE 11 1HG2 ILE 11 5.582 7.167 -6.111 63 2HG2 ILE 11 2HG2 ILE 11 5.500 6.661 -7.789 64 3HG2 ILE 11 3HG2 ILE 11 5.281 5.484 -6.507 65 1HD1 ILE 11 1HD1 ILE 11 3.117 8.220 -4.336 66 2HD1 ILE 11 2HD1 ILE 11 4.483 7.122 -4.144 67 3HD1 ILE 11 3HD1 ILE 11 2.959 6.794 -3.346 68 H LEU 12 H LEU 12 1.507 7.458 -8.824 69 HA LEU 12 HA LEU 12 -0.737 8.903 -7.469 70 1HB LEU 12 2HB LEU 12 -1.885 8.822 -9.671 71 2HB LEU 12 1HB LEU 12 -0.376 9.690 -9.763 72 HG LEU 12 HG LEU 12 -0.377 6.731 -10.503 73 1HD1 LEU 12 1HD1 LEU 12 -2.277 7.780 -11.759 74 2HD1 LEU 12 2HD1 LEU 12 -0.952 7.375 -12.836 75 3HD1 LEU 12 3HD1 LEU 12 -1.198 9.040 -12.335 76 1HD2 LEU 12 1HD2 LEU 12 1.816 8.029 -10.437 77 2HD2 LEU 12 2HD2 LEU 12 1.140 9.157 -11.590 78 3HD2 LEU 12 3HD2 LEU 12 1.411 7.487 -12.047 79 H LYS 13 H LYS 13 0.046 6.634 -6.331 80 HA LYS 13 HA LYS 13 -1.617 4.377 -7.271 81 1HB LYS 13 2HB LYS 13 0.227 4.706 -4.865 82 2HB LYS 13 1HB LYS 13 -0.588 3.210 -5.262 83 1HG LYS 13 2HG LYS 13 1.341 4.646 -7.132 84 2HG LYS 13 1HG LYS 13 1.833 3.378 -6.029 85 1HD LYS 13 2HD LYS 13 0.281 1.792 -7.110 86 2HD LYS 13 1HD LYS 13 -0.277 3.042 -8.211 87 1HE LYS 13 2HE LYS 13 2.589 2.013 -8.033 88 2HE LYS 13 1HE LYS 13 1.440 1.625 -9.306 89 1HZ LYS 13 1HZ LYS 13 1.296 4.152 -9.587 90 2HZ LYS 13 2HZ LYS 13 2.653 3.334 -10.198 91 3HZ LYS 13 3HZ LYS 13 2.761 4.185 -8.732 92 H LYS 14 H LYS 14 -3.600 4.014 -6.543 93 HA LYS 14 HA LYS 14 -4.909 5.863 -4.772 94 1HB LYS 14 2HB LYS 14 -5.914 3.089 -5.469 95 2HB LYS 14 1HB LYS 14 -6.848 4.480 -4.975 96 1HG LYS 14 2HG LYS 14 -5.306 4.329 -7.599 97 2HG LYS 14 1HG LYS 14 -7.012 3.979 -7.431 98 1HD LYS 14 2HD LYS 14 -7.400 6.305 -6.583 99 2HD LYS 14 1HD LYS 14 -5.690 6.645 -6.793 100 1HE LYS 14 2HE LYS 14 -7.004 7.444 -8.759 101 2HE LYS 14 1HE LYS 14 -5.890 6.174 -9.236 102 1HZ LYS 14 1HZ LYS 14 -8.298 6.074 -10.020 103 2HZ LYS 14 2HZ LYS 14 -8.654 5.540 -8.449 104 3HZ LYS 14 3HZ LYS 14 -7.587 4.651 -9.426 105 H CYS 15 H CYS 15 -5.706 5.539 -2.777 106 HA CYS 15 HA CYS 15 -4.900 3.152 -1.214 107 1HB CYS 15 2HB CYS 15 -3.866 4.480 0.527 108 2HB CYS 15 1HB CYS 15 -3.048 4.715 -0.991 109 H ARG 16 H ARG 16 -6.346 2.559 0.237 110 HA ARG 16 HA ARG 16 -8.762 4.243 0.657 111 1HB ARG 16 2HB ARG 16 -9.798 2.168 1.454 112 2HB ARG 16 1HB ARG 16 -8.955 1.828 -0.042 113 1HG ARG 16 2HG ARG 16 -6.968 1.061 1.429 114 2HG ARG 16 1HG ARG 16 -8.067 1.156 2.790 115 1HD ARG 16 2HD ARG 16 -8.024 -1.138 2.004 116 2HD ARG 16 1HD ARG 16 -9.603 -0.473 1.630 117 HE ARG 16 HE ARG 16 -7.399 -0.991 -0.311 118 1HH1 ARG 16 1HH1 ARG 16 -10.690 -0.022 0.278 119 2HH1 ARG 16 2HH1 ARG 16 -11.131 -0.187 -1.386 120 1HH2 ARG 16 1HH2 ARG 16 -7.952 -1.192 -2.393 121 2HH2 ARG 16 2HH2 ARG 16 -9.568 -0.853 -2.918 122 H ARG 17 H ARG 17 -6.110 2.704 2.280 123 HA ARG 17 HA ARG 17 -6.472 4.372 4.720 124 1HB ARG 17 2HB ARG 17 -5.652 2.450 6.066 125 2HB ARG 17 1HB ARG 17 -7.166 2.037 5.284 126 1HG ARG 17 2HG ARG 17 -5.962 0.794 3.539 127 2HG ARG 17 1HG ARG 17 -4.407 1.297 4.184 128 1HD ARG 17 2HD ARG 17 -4.932 0.058 6.288 129 2HD ARG 17 1HD ARG 17 -6.436 -0.507 5.548 130 HE ARG 17 HE ARG 17 -4.494 -1.145 3.681 131 1HH1 ARG 17 1HH1 ARG 17 -4.986 -1.802 7.050 132 2HH1 ARG 17 2HH1 ARG 17 -4.157 -3.320 6.989 133 1HH2 ARG 17 1HH2 ARG 17 -3.445 -3.055 3.581 134 2HH2 ARG 17 2HH2 ARG 17 -3.270 -4.044 4.993 135 H ASP 18 H ASP 18 -4.300 4.402 5.925 136 HA ASP 18 HA ASP 18 -2.332 5.487 4.316 137 1HB ASP 18 2HB ASP 18 -2.395 4.365 7.107 138 2HB ASP 18 1HB ASP 18 -0.914 5.013 6.463 139 H SER 19 H SER 19 -2.299 2.274 5.725 140 HA SER 19 HA SER 19 0.181 1.530 4.425 141 1HB SER 19 2HB SER 19 -0.279 -0.652 5.450 142 2HB SER 19 1HB SER 19 -0.558 0.687 6.592 143 HG SER 19 HG SER 19 -2.795 0.613 5.723 144 H ASP 20 H ASP 20 -2.636 1.993 3.030 145 HA ASP 20 HA ASP 20 -2.863 -0.425 1.366 146 1HB ASP 20 2HB ASP 20 -4.772 1.268 1.975 147 2HB ASP 20 1HB ASP 20 -4.119 2.233 0.678 148 H CYS 21 H CYS 21 -1.005 2.303 1.454 149 HA CYS 21 HA CYS 21 -0.380 2.595 -1.422 150 1HB CYS 21 2HB CYS 21 -0.505 4.531 0.022 151 2HB CYS 21 1HB CYS 21 0.776 3.891 1.027 152 HA PRO 22 HA PRO 22 3.156 -0.229 -0.913 153 1HB PRO 22 2HB PRO 22 4.668 1.020 -3.055 154 2HB PRO 22 1HB PRO 22 3.808 -0.509 -3.079 155 1HG PRO 22 2HG PRO 22 3.050 1.808 -4.481 156 2HG PRO 22 1HG PRO 22 2.013 0.419 -4.182 157 1HD PRO 22 2HD PRO 22 2.052 3.068 -2.822 158 2HD PRO 22 1HD PRO 22 0.689 1.969 -3.024 159 H GLY 23 H GLY 23 5.567 -0.054 -0.472 160 1HA GLY 23 2HA GLY 23 7.403 0.977 0.615 161 2HA GLY 23 1HA GLY 23 6.757 2.520 0.076 162 H ALA 24 H ALA 24 7.597 3.201 2.091 163 HA ALA 24 HA ALA 24 6.226 2.418 4.575 164 1HB ALA 24 1HB ALA 24 8.644 2.961 4.548 165 2HB ALA 24 2HB ALA 24 7.782 4.089 5.583 166 3HB ALA 24 3HB ALA 24 8.287 4.579 3.971 167 H CYS 25 H CYS 25 5.058 3.806 2.148 168 HA CYS 25 HA CYS 25 4.188 6.424 2.735 169 1HB CYS 25 2HB CYS 25 2.831 4.268 1.162 170 2HB CYS 25 1HB CYS 25 2.462 5.964 1.027 171 H ILE 26 H ILE 26 2.011 7.080 2.830 172 HA ILE 26 HA ILE 26 0.221 5.595 4.716 173 HB ILE 26 HB ILE 26 -0.310 7.835 5.767 174 1HG1 ILE 26 2HG1 ILE 26 0.750 9.037 3.610 175 2HG1 ILE 26 1HG1 ILE 26 0.586 9.842 5.135 176 1HG2 ILE 26 1HG2 ILE 26 2.588 6.970 6.031 177 2HG2 ILE 26 2HG2 ILE 26 1.218 6.352 6.935 178 3HG2 ILE 26 3HG2 ILE 26 1.741 8.011 7.161 179 1HD1 ILE 26 1HD1 ILE 26 3.112 8.451 4.150 180 2HD1 ILE 26 2HD1 ILE 26 2.957 9.323 5.667 181 3HD1 ILE 26 3HD1 ILE 26 2.780 10.178 4.149 182 H CYS 27 H CYS 27 -1.732 7.654 4.559 183 HA CYS 27 HA CYS 27 -2.252 7.889 1.626 184 1HB CYS 27 2HB CYS 27 -3.282 5.872 2.468 185 2HB CYS 27 1HB CYS 27 -4.199 6.779 3.645 186 H ARG 28 H ARG 28 -2.902 9.713 1.002 187 HA ARG 28 HA ARG 28 -3.573 11.869 2.874 188 1HB ARG 28 2HB ARG 28 -3.622 11.842 -0.137 189 2HB ARG 28 1HB ARG 28 -3.655 13.277 0.854 190 1HG ARG 28 2HG ARG 28 -1.372 11.266 0.773 191 2HG ARG 28 1HG ARG 28 -1.380 12.790 -0.082 192 1HD ARG 28 2HD ARG 28 -1.618 13.975 2.153 193 2HD ARG 28 1HD ARG 28 -1.452 12.408 2.948 194 HE ARG 28 HE ARG 28 0.716 12.819 1.113 195 1HH1 ARG 28 1HH1 ARG 28 -0.521 13.798 4.200 196 2HH1 ARG 28 2HH1 ARG 28 1.045 14.171 4.836 197 1HH2 ARG 28 1HH2 ARG 28 2.707 13.289 1.898 198 2HH2 ARG 28 2HH2 ARG 28 2.895 13.882 3.514 199 H GLY 29 H GLY 29 -5.395 13.285 2.373 200 1HA GLY 29 2HA GLY 29 -7.883 11.856 2.678 201 2HA GLY 29 1HA GLY 29 -7.702 13.599 2.580 202 H ASN 30 H ASN 30 -6.219 12.722 -0.115 203 HA ASN 30 HA ASN 30 -8.614 13.236 -1.758 204 1HB ASN 30 2HB ASN 30 -7.001 13.392 -3.640 205 2HB ASN 30 1HB ASN 30 -6.539 14.430 -2.307 206 1HD2 ASN 30 1HD2 ASN 30 -5.746 11.291 -1.367 207 2HD2 ASN 30 2HD2 ASN 30 -4.151 11.264 -1.937 208 H GLY 31 H GLY 31 -7.112 10.482 -0.620 209 1HA GLY 31 2HA GLY 31 -7.874 8.250 -0.976 210 2HA GLY 31 1HA GLY 31 -8.622 8.749 -2.491 211 H TYR 32 H TYR 32 -5.405 9.667 -1.688 212 HA TYR 32 HA TYR 32 -4.151 7.562 -3.369 213 1HB TYR 32 2HB TYR 32 -3.542 10.527 -3.699 214 2HB TYR 32 1HB TYR 32 -2.748 9.221 -4.535 215 HD1 TYR 32 HD1 TYR 32 -6.171 10.693 -4.110 216 HD2 TYR 32 HD2 TYR 32 -3.481 8.597 -6.654 217 HE1 TYR 32 HE1 TYR 32 -7.788 10.845 -5.937 218 HE2 TYR 32 HE2 TYR 32 -5.095 8.752 -8.485 219 HH TYR 32 HH TYR 32 -7.064 9.585 -9.172 220 H CYS 33 H CYS 33 -2.062 7.299 -2.998 221 HA CYS 33 HA CYS 33 -1.047 7.151 -0.462 222 1HB CYS 33 2HB CYS 33 0.364 7.508 -3.101 223 2HB CYS 33 1HB CYS 33 1.304 7.297 -1.658 224 H GLY 34 H GLY 34 0.674 8.117 0.702 225 1HA GLY 34 2HA GLY 34 1.111 11.038 0.265 226 2HA GLY 34 1HA GLY 34 0.492 10.474 1.812 Start of MODEL 10 1 H SER 1 H SER 1 2.639 11.950 1.146 2 HA SER 1 HA SER 1 4.242 10.500 3.160 3 1HB SER 1 2HB SER 1 5.669 12.614 3.095 4 2HB SER 1 1HB SER 1 5.585 11.813 1.519 5 HG SER 1 HG SER 1 3.973 13.947 2.458 6 H GLY 2 H GLY 2 4.111 11.145 5.197 7 1HA GLY 2 2HA GLY 2 1.801 12.843 6.042 8 2HA GLY 2 1HA GLY 2 2.571 11.604 7.028 9 H SER 3 H SER 3 3.572 12.496 8.668 10 HA SER 3 HA SER 3 5.450 14.748 8.255 11 1HB SER 3 2HB SER 3 3.254 14.721 10.400 12 2HB SER 3 1HB SER 3 4.518 15.955 10.263 13 HG SER 3 HG SER 3 3.757 16.078 7.977 14 H ASP 4 H ASP 4 4.550 11.917 9.758 15 HA ASP 4 HA ASP 4 6.387 11.955 12.012 16 1HB ASP 4 2HB ASP 4 4.996 9.606 10.642 17 2HB ASP 4 1HB ASP 4 5.757 9.559 12.224 18 H GLY 5 H GLY 5 6.474 11.016 8.714 19 1HA GLY 5 2HA GLY 5 9.389 10.757 8.687 20 2HA GLY 5 1HA GLY 5 8.521 9.254 8.328 21 H GLY 6 H GLY 6 6.515 9.810 6.871 22 1HA GLY 6 2HA GLY 6 5.819 10.214 4.692 23 2HA GLY 6 1HA GLY 6 6.485 11.824 4.935 24 H VAL 7 H VAL 7 8.053 8.673 4.749 25 HA VAL 7 HA VAL 7 9.962 9.689 2.716 26 HB VAL 7 HB VAL 7 9.887 6.992 4.114 27 1HG1 VAL 7 1HG1 VAL 7 11.460 7.104 2.161 28 2HG1 VAL 7 2HG1 VAL 7 12.353 6.987 3.660 29 3HG1 VAL 7 3HG1 VAL 7 12.204 8.535 2.849 30 1HG2 VAL 7 1HG2 VAL 7 11.304 9.535 5.042 31 2HG2 VAL 7 2HG2 VAL 7 11.500 7.953 5.777 32 3HG2 VAL 7 3HG2 VAL 7 9.950 8.765 5.854 33 H CYS 8 H CYS 8 7.409 9.493 1.850 34 HA CYS 8 HA CYS 8 7.097 6.990 0.306 35 1HB CYS 8 2HB CYS 8 5.186 8.025 1.518 36 2HB CYS 8 1HB CYS 8 5.296 9.411 0.475 37 HA PRO 9 HA PRO 9 8.649 9.038 -3.424 38 1HB PRO 9 2HB PRO 9 7.480 7.206 -5.238 39 2HB PRO 9 1HB PRO 9 9.100 7.120 -4.564 40 1HG PRO 9 2HG PRO 9 6.750 5.495 -3.909 41 2HG PRO 9 1HG PRO 9 8.437 5.204 -3.514 42 1HD PRO 9 2HD PRO 9 6.388 6.123 -1.738 43 2HD PRO 9 1HD PRO 9 8.117 5.982 -1.374 44 H LYS 10 H LYS 10 7.641 9.745 -5.557 45 HA LYS 10 HA LYS 10 5.022 11.018 -4.967 46 1HB LYS 10 2HB LYS 10 7.060 11.544 -7.175 47 2HB LYS 10 1HB LYS 10 5.613 12.497 -6.884 48 1HG LYS 10 2HG LYS 10 6.448 13.045 -4.591 49 2HG LYS 10 1HG LYS 10 7.895 12.103 -4.899 50 1HD LYS 10 2HD LYS 10 8.471 13.603 -6.809 51 2HD LYS 10 1HD LYS 10 7.025 14.548 -6.503 52 1HE LYS 10 2HE LYS 10 8.993 15.635 -5.473 53 2HE LYS 10 1HE LYS 10 7.884 15.102 -4.217 54 1HZ LYS 10 1HZ LYS 10 10.136 13.426 -5.127 55 2HZ LYS 10 2HZ LYS 10 9.232 13.298 -3.695 56 3HZ LYS 10 3HZ LYS 10 10.314 14.591 -3.904 57 H ILE 11 H ILE 11 3.608 9.365 -5.339 58 HA ILE 11 HA ILE 11 3.211 8.578 -8.183 59 HB ILE 11 HB ILE 11 2.658 6.300 -7.539 60 1HG1 ILE 11 2HG1 ILE 11 1.702 6.572 -5.292 61 2HG1 ILE 11 1HG1 ILE 11 2.953 5.361 -5.303 62 1HG2 ILE 11 1HG2 ILE 11 4.890 5.483 -6.824 63 2HG2 ILE 11 2HG2 ILE 11 5.350 7.121 -6.394 64 3HG2 ILE 11 3HG2 ILE 11 4.996 6.719 -8.065 65 1HD1 ILE 11 1HD1 ILE 11 4.558 6.977 -4.296 66 2HD1 ILE 11 2HD1 ILE 11 3.155 6.686 -3.293 67 3HD1 ILE 11 3HD1 ILE 11 3.267 8.170 -4.194 68 H LEU 12 H LEU 12 1.127 8.237 -8.794 69 HA LEU 12 HA LEU 12 -0.967 9.418 -7.023 70 1HB LEU 12 2HB LEU 12 -2.207 9.836 -9.159 71 2HB LEU 12 1HB LEU 12 -0.674 10.665 -9.096 72 HG LEU 12 HG LEU 12 -0.745 7.937 -10.448 73 1HD1 LEU 12 1HD1 LEU 12 -2.685 9.216 -11.397 74 2HD1 LEU 12 2HD1 LEU 12 -1.399 9.047 -12.578 75 3HD1 LEU 12 3HD1 LEU 12 -1.622 10.573 -11.736 76 1HD2 LEU 12 1HD2 LEU 12 0.993 9.008 -11.865 77 2HD2 LEU 12 2HD2 LEU 12 1.452 9.213 -10.192 78 3HD2 LEU 12 3HD2 LEU 12 0.737 10.547 -11.067 79 H LYS 13 H LYS 13 -0.337 6.948 -6.388 80 HA LYS 13 HA LYS 13 -2.145 5.002 -7.691 81 1HB LYS 13 2HB LYS 13 0.195 4.429 -6.799 82 2HB LYS 13 1HB LYS 13 -0.444 4.656 -5.199 83 1HG LYS 13 2HG LYS 13 -2.201 2.925 -5.610 84 2HG LYS 13 1HG LYS 13 -1.530 2.641 -7.207 85 1HD LYS 13 2HD LYS 13 0.619 1.938 -6.195 86 2HD LYS 13 1HD LYS 13 -0.010 2.298 -4.594 87 1HE LYS 13 2HE LYS 13 -1.797 0.583 -4.913 88 2HE LYS 13 1HE LYS 13 -1.158 0.219 -6.511 89 1HZ LYS 13 1HZ LYS 13 0.158 -0.190 -3.899 90 2HZ LYS 13 2HZ LYS 13 0.987 -0.291 -5.377 91 3HZ LYS 13 3HZ LYS 13 -0.288 -1.364 -5.043 92 H LYS 14 H LYS 14 -4.102 4.308 -6.721 93 HA LYS 14 HA LYS 14 -5.167 6.073 -4.678 94 1HB LYS 14 2HB LYS 14 -6.287 3.522 -5.849 95 2HB LYS 14 1HB LYS 14 -7.126 4.568 -4.715 96 1HG LYS 14 2HG LYS 14 -7.016 6.459 -6.250 97 2HG LYS 14 1HG LYS 14 -6.084 5.521 -7.410 98 1HD LYS 14 2HD LYS 14 -7.980 3.982 -7.730 99 2HD LYS 14 1HD LYS 14 -8.895 4.803 -6.476 100 1HE LYS 14 2HE LYS 14 -9.593 5.544 -8.754 101 2HE LYS 14 1HE LYS 14 -8.933 6.878 -7.823 102 1HZ LYS 14 1HZ LYS 14 -8.162 6.199 -10.293 103 2HZ LYS 14 2HZ LYS 14 -6.979 5.416 -9.356 104 3HZ LYS 14 3HZ LYS 14 -7.218 7.091 -9.198 105 H CYS 15 H CYS 15 -5.822 5.560 -2.720 106 HA CYS 15 HA CYS 15 -4.840 3.086 -1.354 107 1HB CYS 15 2HB CYS 15 -3.978 4.451 0.487 108 2HB CYS 15 1HB CYS 15 -3.144 4.753 -1.011 109 H ARG 16 H ARG 16 -6.143 2.277 0.087 110 HA ARG 16 HA ARG 16 -8.787 3.508 0.566 111 1HB ARG 16 2HB ARG 16 -7.569 0.795 1.325 112 2HB ARG 16 1HB ARG 16 -9.234 1.249 1.626 113 1HG ARG 16 2HG ARG 16 -9.723 1.432 -0.737 114 2HG ARG 16 1HG ARG 16 -8.029 1.342 -1.176 115 1HD ARG 16 2HD ARG 16 -9.316 -0.792 -1.561 116 2HD ARG 16 1HD ARG 16 -7.898 -0.989 -0.555 117 HE ARG 16 HE ARG 16 -10.714 -0.794 0.482 118 1HH1 ARG 16 1HH1 ARG 16 -7.439 -1.979 0.770 119 2HH1 ARG 16 2HH1 ARG 16 -7.814 -2.910 2.173 120 1HH2 ARG 16 1HH2 ARG 16 -11.155 -1.968 2.261 121 2HH2 ARG 16 2HH2 ARG 16 -9.916 -2.903 3.032 122 H ARG 17 H ARG 17 -6.376 1.861 2.485 123 HA ARG 17 HA ARG 17 -6.782 3.747 4.776 124 1HB ARG 17 2HB ARG 17 -5.781 1.984 6.178 125 2HB ARG 17 1HB ARG 17 -7.106 1.291 5.264 126 1HG ARG 17 2HG ARG 17 -5.465 0.383 3.600 127 2HG ARG 17 1HG ARG 17 -4.140 1.065 4.529 128 1HD ARG 17 2HD ARG 17 -4.357 -1.292 5.131 129 2HD ARG 17 1HD ARG 17 -4.907 -0.337 6.501 130 HE ARG 17 HE ARG 17 -7.079 -1.154 6.158 131 1HH1 ARG 17 1HH1 ARG 17 -5.108 -1.704 3.359 132 2HH1 ARG 17 2HH1 ARG 17 -6.298 -2.682 2.571 133 1HH2 ARG 17 1HH2 ARG 17 -8.605 -2.380 5.179 134 2HH2 ARG 17 2HH2 ARG 17 -8.316 -3.068 3.616 135 H ASP 18 H ASP 18 -4.597 4.011 6.046 136 HA ASP 18 HA ASP 18 -2.839 5.408 4.383 137 1HB ASP 18 2HB ASP 18 -2.663 4.346 7.203 138 2HB ASP 18 1HB ASP 18 -1.384 5.305 6.501 139 H SER 19 H SER 19 -2.470 2.227 5.795 140 HA SER 19 HA SER 19 0.109 1.784 4.492 141 1HB SER 19 2HB SER 19 -0.056 -0.410 5.591 142 2HB SER 19 1HB SER 19 -0.426 0.933 6.707 143 HG SER 19 HG SER 19 -2.338 -0.554 5.228 144 H ASP 20 H ASP 20 -2.597 2.043 3.095 145 HA ASP 20 HA ASP 20 -2.901 -0.463 1.581 146 1HB ASP 20 2HB ASP 20 -4.725 1.416 1.997 147 2HB ASP 20 1HB ASP 20 -3.974 2.196 0.639 148 H CYS 21 H CYS 21 -0.943 2.229 1.548 149 HA CYS 21 HA CYS 21 -0.227 2.237 -1.300 150 1HB CYS 21 2HB CYS 21 -0.385 4.293 0.015 151 2HB CYS 21 1HB CYS 21 0.941 3.745 1.016 152 HA PRO 22 HA PRO 22 3.386 -0.416 -0.467 153 1HB PRO 22 2HB PRO 22 4.862 0.688 -2.715 154 2HB PRO 22 1HB PRO 22 4.095 -0.887 -2.574 155 1HG PRO 22 2HG PRO 22 3.215 1.187 -4.243 156 2HG PRO 22 1HG PRO 22 2.246 -0.194 -3.747 157 1HD PRO 22 2HD PRO 22 2.207 2.610 -2.716 158 2HD PRO 22 1HD PRO 22 0.863 1.473 -2.811 159 H GLY 23 H GLY 23 5.672 -0.149 0.087 160 1HA GLY 23 2HA GLY 23 7.493 1.013 1.061 161 2HA GLY 23 1HA GLY 23 6.854 2.488 0.343 162 H ALA 24 H ALA 24 7.652 3.336 2.333 163 HA ALA 24 HA ALA 24 6.209 2.797 4.826 164 1HB ALA 24 1HB ALA 24 7.686 4.607 5.699 165 2HB ALA 24 2HB ALA 24 8.219 4.949 4.056 166 3HB ALA 24 3HB ALA 24 8.607 3.408 4.803 167 H CYS 25 H CYS 25 5.085 3.969 2.207 168 HA CYS 25 HA CYS 25 4.145 6.595 2.627 169 1HB CYS 25 2HB CYS 25 2.954 4.316 1.096 170 2HB CYS 25 1HB CYS 25 2.389 5.953 0.940 171 H ILE 26 H ILE 26 1.972 7.263 2.708 172 HA ILE 26 HA ILE 26 0.164 5.760 4.525 173 HB ILE 26 HB ILE 26 -0.293 8.183 5.521 174 1HG1 ILE 26 2HG1 ILE 26 1.409 9.307 3.928 175 2HG1 ILE 26 1HG1 ILE 26 1.431 9.780 5.610 176 1HG2 ILE 26 1HG2 ILE 26 0.415 6.321 6.883 177 2HG2 ILE 26 2HG2 ILE 26 1.307 7.750 7.363 178 3HG2 ILE 26 3HG2 ILE 26 2.082 6.515 6.382 179 1HD1 ILE 26 1HD1 ILE 26 3.741 9.425 4.792 180 2HD1 ILE 26 2HD1 ILE 26 3.394 7.780 4.365 181 3HD1 ILE 26 3HD1 ILE 26 3.371 8.277 6.042 182 H CYS 27 H CYS 27 -2.031 6.989 4.390 183 HA CYS 27 HA CYS 27 -2.473 7.623 1.513 184 1HB CYS 27 2HB CYS 27 -3.616 5.730 2.493 185 2HB CYS 27 1HB CYS 27 -4.459 6.756 3.625 186 H ARG 28 H ARG 28 -2.813 9.525 0.885 187 HA ARG 28 HA ARG 28 -3.303 11.754 2.716 188 1HB ARG 28 2HB ARG 28 -3.463 11.761 -0.293 189 2HB ARG 28 1HB ARG 28 -3.204 13.153 0.731 190 1HG ARG 28 2HG ARG 28 -1.283 10.837 0.311 191 2HG ARG 28 1HG ARG 28 -1.082 12.456 -0.306 192 1HD ARG 28 2HD ARG 28 0.333 12.379 1.656 193 2HD ARG 28 1HD ARG 28 -1.120 13.211 2.200 194 HE ARG 28 HE ARG 28 -1.230 10.308 2.526 195 1HH1 ARG 28 1HH1 ARG 28 -0.291 13.326 3.953 196 2HH1 ARG 28 2HH1 ARG 28 -0.381 12.709 5.568 197 1HH2 ARG 28 1HH2 ARG 28 -1.353 9.518 4.537 198 2HH2 ARG 28 2HH2 ARG 28 -0.987 10.514 5.908 199 H GLY 29 H GLY 29 -4.996 13.325 2.282 200 1HA GLY 29 2HA GLY 29 -7.602 12.170 2.617 201 2HA GLY 29 1HA GLY 29 -7.257 13.883 2.437 202 H ASN 30 H ASN 30 -5.867 12.898 -0.201 203 HA ASN 30 HA ASN 30 -8.174 13.486 -1.903 204 1HB ASN 30 2HB ASN 30 -6.411 13.316 -3.749 205 2HB ASN 30 1HB ASN 30 -6.072 14.509 -2.508 206 1HD2 ASN 30 1HD2 ASN 30 -3.850 14.493 -2.235 207 2HD2 ASN 30 2HD2 ASN 30 -2.904 13.098 -2.029 208 H GLY 31 H GLY 31 -6.864 10.697 -0.607 209 1HA GLY 31 2HA GLY 31 -7.758 8.509 -0.829 210 2HA GLY 31 1HA GLY 31 -8.525 8.976 -2.341 211 H TYR 32 H TYR 32 -5.194 9.665 -1.715 212 HA TYR 32 HA TYR 32 -4.243 7.336 -3.286 213 1HB TYR 32 2HB TYR 32 -3.479 10.212 -3.976 214 2HB TYR 32 1HB TYR 32 -2.800 8.790 -4.711 215 HD1 TYR 32 HD1 TYR 32 -6.030 10.628 -4.322 216 HD2 TYR 32 HD2 TYR 32 -3.829 7.772 -6.570 217 HE1 TYR 32 HE1 TYR 32 -7.782 10.621 -6.031 218 HE2 TYR 32 HE2 TYR 32 -5.571 7.764 -8.279 219 HH TYR 32 HH TYR 32 -8.582 8.844 -7.837 220 H CYS 33 H CYS 33 -2.047 6.993 -3.158 221 HA CYS 33 HA CYS 33 -0.900 6.993 -0.643 222 1HB CYS 33 2HB CYS 33 0.371 6.969 -3.399 223 2HB CYS 33 1HB CYS 33 1.374 6.856 -1.994 224 H GLY 34 H GLY 34 1.076 7.941 0.205 225 1HA GLY 34 2HA GLY 34 2.173 10.356 -0.730 226 2HA GLY 34 1HA GLY 34 0.837 10.779 0.319 Start of MODEL 11 1 H SER 1 H SER 1 0.949 11.944 1.280 2 HA SER 1 HA SER 1 0.808 12.842 3.367 3 1HB SER 1 2HB SER 1 0.563 9.858 4.106 4 2HB SER 1 1HB SER 1 0.259 11.174 5.246 5 HG SER 1 HG SER 1 -1.027 10.542 2.825 6 H GLY 2 H GLY 2 2.172 10.664 5.327 7 1HA GLY 2 2HA GLY 2 4.907 10.528 5.043 8 2HA GLY 2 1HA GLY 2 4.676 12.186 5.588 9 H SER 3 H SER 3 2.513 11.667 7.372 10 HA SER 3 HA SER 3 4.046 10.575 9.660 11 1HB SER 3 2HB SER 3 1.320 11.969 9.537 12 2HB SER 3 1HB SER 3 2.192 11.560 11.026 13 HG SER 3 HG SER 3 3.168 13.144 8.887 14 H ASP 4 H ASP 4 2.728 9.220 11.239 15 HA ASP 4 HA ASP 4 1.661 7.226 11.755 16 1HB ASP 4 2HB ASP 4 -0.359 8.449 10.948 17 2HB ASP 4 1HB ASP 4 -0.052 7.965 9.300 18 H GLY 5 H GLY 5 3.862 7.434 9.612 19 1HA GLY 5 2HA GLY 5 4.089 4.586 9.103 20 2HA GLY 5 1HA GLY 5 3.751 5.480 7.629 21 H GLY 6 H GLY 6 5.345 6.969 6.857 22 1HA GLY 6 2HA GLY 6 7.807 7.480 8.273 23 2HA GLY 6 1HA GLY 6 8.030 6.195 7.096 24 H VAL 7 H VAL 7 8.124 6.698 4.951 25 HA VAL 7 HA VAL 7 7.780 9.535 4.093 26 HB VAL 7 HB VAL 7 10.217 7.774 3.499 27 1HG1 VAL 7 1HG1 VAL 7 9.717 9.300 1.596 28 2HG1 VAL 7 2HG1 VAL 7 11.170 9.809 2.425 29 3HG1 VAL 7 3HG1 VAL 7 9.662 10.667 2.698 30 1HG2 VAL 7 1HG2 VAL 7 10.263 8.652 5.822 31 2HG2 VAL 7 2HG2 VAL 7 9.991 10.281 5.222 32 3HG2 VAL 7 3HG2 VAL 7 11.486 9.440 4.846 33 H CYS 8 H CYS 8 7.593 9.743 1.748 34 HA CYS 8 HA CYS 8 6.973 7.263 0.273 35 1HB CYS 8 2HB CYS 8 4.906 8.086 1.495 36 2HB CYS 8 1HB CYS 8 4.953 9.496 0.485 37 HA PRO 9 HA PRO 9 8.450 9.999 -3.043 38 1HB PRO 9 2HB PRO 9 8.040 8.207 -5.140 39 2HB PRO 9 1HB PRO 9 9.473 8.260 -4.124 40 1HG PRO 9 2HG PRO 9 7.271 6.293 -4.131 41 2HG PRO 9 1HG PRO 9 8.901 6.130 -3.491 42 1HD PRO 9 2HD PRO 9 6.493 6.612 -1.992 43 2HD PRO 9 1HD PRO 9 8.153 6.573 -1.366 44 H LYS 10 H LYS 10 7.463 10.278 -5.469 45 HA LYS 10 HA LYS 10 4.653 11.165 -5.034 46 1HB LYS 10 2HB LYS 10 6.652 11.866 -7.216 47 2HB LYS 10 1HB LYS 10 5.058 12.582 -7.043 48 1HG LYS 10 2HG LYS 10 5.711 13.382 -4.739 49 2HG LYS 10 1HG LYS 10 7.323 12.754 -4.999 50 1HD LYS 10 2HD LYS 10 5.981 14.911 -6.693 51 2HD LYS 10 1HD LYS 10 7.192 15.204 -5.462 52 1HE LYS 10 2HE LYS 10 7.633 13.618 -8.038 53 2HE LYS 10 1HE LYS 10 8.252 15.219 -7.678 54 1HZ LYS 10 1HZ LYS 10 9.385 14.190 -5.725 55 2HZ LYS 10 2HZ LYS 10 9.977 13.729 -7.248 56 3HZ LYS 10 3HZ LYS 10 8.974 12.675 -6.370 57 H ILE 11 H ILE 11 3.142 9.859 -5.711 58 HA ILE 11 HA ILE 11 3.344 8.465 -8.317 59 HB ILE 11 HB ILE 11 2.438 6.382 -7.295 60 1HG1 ILE 11 2HG1 ILE 11 1.408 7.420 -5.245 61 2HG1 ILE 11 1HG1 ILE 11 2.317 5.966 -4.944 62 1HG2 ILE 11 1HG2 ILE 11 5.110 7.242 -6.134 63 2HG2 ILE 11 2HG2 ILE 11 4.833 6.512 -7.705 64 3HG2 ILE 11 3HG2 ILE 11 4.531 5.589 -6.244 65 1HD1 ILE 11 1HD1 ILE 11 4.237 7.325 -4.099 66 2HD1 ILE 11 2HD1 ILE 11 2.772 7.603 -3.189 67 3HD1 ILE 11 3HD1 ILE 11 3.305 8.793 -4.334 68 H LEU 12 H LEU 12 1.225 7.394 -8.783 69 HA LEU 12 HA LEU 12 -1.067 9.133 -7.966 70 1HB LEU 12 2HB LEU 12 -1.918 8.944 -10.296 71 2HB LEU 12 1HB LEU 12 -0.346 9.701 -10.271 72 HG LEU 12 HG LEU 12 -0.546 6.692 -10.766 73 1HD1 LEU 12 1HD1 LEU 12 -0.658 7.192 -13.200 74 2HD1 LEU 12 2HD1 LEU 12 -0.785 8.910 -12.859 75 3HD1 LEU 12 3HD1 LEU 12 -2.080 7.820 -12.388 76 1HD2 LEU 12 1HD2 LEU 12 1.756 7.721 -10.430 77 2HD2 LEU 12 2HD2 LEU 12 1.417 8.831 -11.740 78 3HD2 LEU 12 3HD2 LEU 12 1.538 7.110 -12.049 79 H LYS 13 H LYS 13 -0.248 6.721 -6.817 80 HA LYS 13 HA LYS 13 -2.148 4.632 -7.703 81 1HB LYS 13 2HB LYS 13 -0.141 4.690 -5.409 82 2HB LYS 13 1HB LYS 13 -1.109 3.299 -5.868 83 1HG LYS 13 2HG LYS 13 -0.053 3.299 -8.125 84 2HG LYS 13 1HG LYS 13 0.878 4.719 -7.703 85 1HD LYS 13 2HD LYS 13 2.287 2.727 -7.463 86 2HD LYS 13 1HD LYS 13 2.022 3.449 -5.891 87 1HE LYS 13 2HE LYS 13 1.792 0.958 -5.853 88 2HE LYS 13 1HE LYS 13 0.302 1.738 -5.358 89 1HZ LYS 13 1HZ LYS 13 0.835 0.880 -8.140 90 2HZ LYS 13 2HZ LYS 13 -0.651 1.339 -7.457 91 3HZ LYS 13 3HZ LYS 13 0.085 -0.118 -6.987 92 H LYS 14 H LYS 14 -3.948 4.016 -6.566 93 HA LYS 14 HA LYS 14 -5.130 5.981 -4.787 94 1HB LYS 14 2HB LYS 14 -6.090 3.202 -5.529 95 2HB LYS 14 1HB LYS 14 -7.023 4.398 -4.663 96 1HG LYS 14 2HG LYS 14 -5.953 4.863 -7.468 97 2HG LYS 14 1HG LYS 14 -7.548 4.217 -7.140 98 1HD LYS 14 2HD LYS 14 -8.025 6.288 -5.737 99 2HD LYS 14 1HD LYS 14 -6.496 6.949 -6.283 100 1HE LYS 14 2HE LYS 14 -8.794 6.101 -8.099 101 2HE LYS 14 1HE LYS 14 -8.382 7.756 -7.695 102 1HZ LYS 14 1HZ LYS 14 -7.283 6.087 -9.678 103 2HZ LYS 14 2HZ LYS 14 -6.056 6.568 -8.607 104 3HZ LYS 14 3HZ LYS 14 -7.002 7.738 -9.394 105 H CYS 15 H CYS 15 -5.854 5.637 -2.737 106 HA CYS 15 HA CYS 15 -4.758 3.372 -1.156 107 1HB CYS 15 2HB CYS 15 -3.791 4.778 0.495 108 2HB CYS 15 1HB CYS 15 -3.138 5.244 -1.045 109 H ARG 16 H ARG 16 -6.353 2.535 -0.055 110 HA ARG 16 HA ARG 16 -8.826 4.058 0.486 111 1HB ARG 16 2HB ARG 16 -8.026 1.134 0.702 112 2HB ARG 16 1HB ARG 16 -9.509 1.707 1.427 113 1HG ARG 16 2HG ARG 16 -9.934 0.806 -0.835 114 2HG ARG 16 1HG ARG 16 -10.336 2.503 -0.747 115 1HD ARG 16 2HD ARG 16 -9.149 1.991 -2.863 116 2HD ARG 16 1HD ARG 16 -8.189 3.081 -1.895 117 HE ARG 16 HE ARG 16 -6.604 1.362 -1.562 118 1HH1 ARG 16 1HH1 ARG 16 -9.516 0.138 -2.998 119 2HH1 ARG 16 2HH1 ARG 16 -8.816 -1.399 -3.375 120 1HH2 ARG 16 1HH2 ARG 16 -5.706 -0.598 -2.034 121 2HH2 ARG 16 2HH2 ARG 16 -6.643 -1.821 -2.824 122 H ARG 17 H ARG 17 -6.200 2.511 2.172 123 HA ARG 17 HA ARG 17 -6.886 3.937 4.693 124 1HB ARG 17 2HB ARG 17 -6.087 1.958 5.958 125 2HB ARG 17 1HB ARG 17 -7.503 1.542 5.012 126 1HG ARG 17 2HG ARG 17 -6.101 0.477 3.304 127 2HG ARG 17 1HG ARG 17 -4.628 1.037 4.087 128 1HD ARG 17 2HD ARG 17 -5.198 -0.365 6.072 129 2HD ARG 17 1HD ARG 17 -6.578 -1.015 5.177 130 HE ARG 17 HE ARG 17 -4.520 -1.377 3.410 131 1HH1 ARG 17 1HH1 ARG 17 -4.913 -2.157 6.768 132 2HH1 ARG 17 2HH1 ARG 17 -3.863 -3.530 6.681 133 1HH2 ARG 17 1HH2 ARG 17 -3.198 -3.101 3.283 134 2HH2 ARG 17 2HH2 ARG 17 -2.878 -4.076 4.679 135 H ASP 18 H ASP 18 -4.919 4.052 6.109 136 HA ASP 18 HA ASP 18 -2.825 5.331 4.864 137 1HB ASP 18 2HB ASP 18 -3.203 3.957 7.508 138 2HB ASP 18 1HB ASP 18 -1.638 4.606 7.127 139 H SER 19 H SER 19 -2.825 1.999 6.009 140 HA SER 19 HA SER 19 -0.262 1.459 4.682 141 1HB SER 19 2HB SER 19 -0.497 -0.712 5.753 142 2HB SER 19 1HB SER 19 -0.744 0.654 6.878 143 HG SER 19 HG SER 19 -2.887 -0.535 5.474 144 H ASP 20 H ASP 20 -2.464 2.065 3.058 145 HA ASP 20 HA ASP 20 -3.114 -0.441 1.568 146 1HB ASP 20 2HB ASP 20 -4.834 1.398 1.978 147 2HB ASP 20 1HB ASP 20 -3.929 2.388 0.859 148 H CYS 21 H CYS 21 -1.007 2.196 1.653 149 HA CYS 21 HA CYS 21 -0.199 2.101 -1.160 150 1HB CYS 21 2HB CYS 21 -0.327 4.193 0.167 151 2HB CYS 21 1HB CYS 21 1.052 3.635 1.093 152 HA PRO 22 HA PRO 22 3.381 -0.539 -0.198 153 1HB PRO 22 2HB PRO 22 4.823 0.250 -2.557 154 2HB PRO 22 1HB PRO 22 3.888 -1.216 -2.309 155 1HG PRO 22 2HG PRO 22 3.221 0.917 -4.047 156 2HG PRO 22 1HG PRO 22 2.158 -0.406 -3.587 157 1HD PRO 22 2HD PRO 22 2.230 2.392 -2.590 158 2HD PRO 22 1HD PRO 22 0.851 1.289 -2.647 159 H GLY 23 H GLY 23 5.790 -0.234 0.040 160 1HA GLY 23 2HA GLY 23 7.665 1.014 0.784 161 2HA GLY 23 1HA GLY 23 6.883 2.456 0.138 162 H ALA 24 H ALA 24 7.744 3.463 1.989 163 HA ALA 24 HA ALA 24 6.553 2.820 4.621 164 1HB ALA 24 1HB ALA 24 8.946 3.426 4.440 165 2HB ALA 24 2HB ALA 24 8.093 4.624 5.400 166 3HB ALA 24 3HB ALA 24 8.523 4.971 3.728 167 H CYS 25 H CYS 25 5.210 3.859 2.136 168 HA CYS 25 HA CYS 25 4.237 6.511 2.627 169 1HB CYS 25 2HB CYS 25 3.121 4.271 0.964 170 2HB CYS 25 1HB CYS 25 2.526 5.899 0.893 171 H ILE 26 H ILE 26 2.085 7.121 2.846 172 HA ILE 26 HA ILE 26 0.345 5.336 4.469 173 HB ILE 26 HB ILE 26 -0.121 7.863 5.583 174 1HG1 ILE 26 2HG1 ILE 26 2.116 8.603 4.405 175 2HG1 ILE 26 1HG1 ILE 26 1.792 9.094 6.035 176 1HG2 ILE 26 1HG2 ILE 26 -0.022 5.732 6.747 177 2HG2 ILE 26 2HG2 ILE 26 0.969 6.892 7.593 178 3HG2 ILE 26 3HG2 ILE 26 1.716 5.665 6.582 179 1HD1 ILE 26 1HD1 ILE 26 4.130 8.343 5.688 180 2HD1 ILE 26 2HD1 ILE 26 3.571 6.761 5.199 181 3HD1 ILE 26 3HD1 ILE 26 3.307 7.321 6.841 182 H CYS 27 H CYS 27 -1.900 6.833 4.579 183 HA CYS 27 HA CYS 27 -2.372 7.466 1.702 184 1HB CYS 27 2HB CYS 27 -3.599 5.669 2.711 185 2HB CYS 27 1HB CYS 27 -4.323 6.758 3.863 186 H ARG 28 H ARG 28 -2.860 9.310 0.960 187 HA ARG 28 HA ARG 28 -3.147 11.655 2.717 188 1HB ARG 28 2HB ARG 28 -3.317 11.417 -0.283 189 2HB ARG 28 1HB ARG 28 -3.306 12.933 0.584 190 1HG ARG 28 2HG ARG 28 -1.082 12.368 1.548 191 2HG ARG 28 1HG ARG 28 -1.053 10.889 0.601 192 1HD ARG 28 2HD ARG 28 -1.308 13.685 -0.593 193 2HD ARG 28 1HD ARG 28 0.206 12.798 -0.473 194 HE ARG 28 HE ARG 28 -1.660 11.113 -1.779 195 1HH1 ARG 28 1HH1 ARG 28 -0.005 14.120 -2.249 196 2HH1 ARG 28 2HH1 ARG 28 0.030 13.964 -3.972 197 1HH2 ARG 28 1HH2 ARG 28 -1.615 10.890 -3.963 198 2HH2 ARG 28 2HH2 ARG 28 -0.906 12.116 -4.960 199 H GLY 29 H GLY 29 -4.813 13.261 2.144 200 1HA GLY 29 2HA GLY 29 -7.456 12.134 2.607 201 2HA GLY 29 1HA GLY 29 -7.064 13.846 2.477 202 H ASN 30 H ASN 30 -5.686 12.919 -0.173 203 HA ASN 30 HA ASN 30 -7.968 13.598 -1.874 204 1HB ASN 30 2HB ASN 30 -6.162 13.468 -3.707 205 2HB ASN 30 1HB ASN 30 -5.886 14.644 -2.438 206 1HD2 ASN 30 1HD2 ASN 30 -5.231 11.112 -2.628 207 2HD2 ASN 30 2HD2 ASN 30 -3.590 11.257 -2.210 208 H GLY 31 H GLY 31 -6.793 10.741 -0.650 209 1HA GLY 31 2HA GLY 31 -7.710 8.584 -1.010 210 2HA GLY 31 1HA GLY 31 -8.410 9.135 -2.525 211 H TYR 32 H TYR 32 -5.087 9.721 -1.777 212 HA TYR 32 HA TYR 32 -4.144 7.426 -3.404 213 1HB TYR 32 2HB TYR 32 -3.274 10.289 -3.930 214 2HB TYR 32 1HB TYR 32 -2.582 8.887 -4.686 215 HD1 TYR 32 HD1 TYR 32 -5.825 10.728 -4.382 216 HD2 TYR 32 HD2 TYR 32 -3.415 8.127 -6.732 217 HE1 TYR 32 HE1 TYR 32 -7.412 10.933 -6.232 218 HE2 TYR 32 HE2 TYR 32 -4.995 8.334 -8.583 219 HH TYR 32 HH TYR 32 -6.698 9.914 -9.381 220 H CYS 33 H CYS 33 -2.057 6.963 -3.186 221 HA CYS 33 HA CYS 33 -0.913 6.904 -0.653 222 1HB CYS 33 2HB CYS 33 0.364 6.753 -3.390 223 2HB CYS 33 1HB CYS 33 1.348 6.629 -1.972 224 H GLY 34 H GLY 34 0.918 7.861 0.312 225 1HA GLY 34 2HA GLY 34 2.652 9.740 -0.220 226 2HA GLY 34 1HA GLY 34 1.216 10.741 -0.371 Start of MODEL 12 1 H SER 1 H SER 1 2.392 11.758 1.662 2 HA SER 1 HA SER 1 3.762 10.103 3.695 3 1HB SER 1 2HB SER 1 4.240 12.995 2.818 4 2HB SER 1 1HB SER 1 5.107 12.186 4.127 5 HG SER 1 HG SER 1 4.912 11.332 1.430 6 H GLY 2 H GLY 2 3.836 11.465 5.776 7 1HA GLY 2 2HA GLY 2 2.507 13.189 7.113 8 2HA GLY 2 1HA GLY 2 1.067 12.399 6.480 9 H SER 3 H SER 3 4.091 11.435 8.030 10 HA SER 3 HA SER 3 2.662 10.126 10.256 11 1HB SER 3 2HB SER 3 3.814 7.902 9.798 12 2HB SER 3 1HB SER 3 2.807 8.366 8.425 13 HG SER 3 HG SER 3 4.749 9.470 7.629 14 H ASP 4 H ASP 4 5.064 8.647 10.986 15 HA ASP 4 HA ASP 4 6.415 10.542 12.594 16 1HB ASP 4 2HB ASP 4 8.090 8.708 12.940 17 2HB ASP 4 1HB ASP 4 6.454 8.078 13.011 18 H GLY 5 H GLY 5 6.868 9.482 9.375 19 1HA GLY 5 2HA GLY 5 8.904 11.556 8.822 20 2HA GLY 5 1HA GLY 5 9.228 9.885 8.324 21 H GLY 6 H GLY 6 9.111 10.290 6.125 22 1HA GLY 6 2HA GLY 6 6.589 10.107 4.829 23 2HA GLY 6 1HA GLY 6 7.118 11.795 4.770 24 H VAL 7 H VAL 7 8.683 8.640 4.458 25 HA VAL 7 HA VAL 7 10.355 9.624 2.220 26 HB VAL 7 HB VAL 7 10.335 6.876 3.539 27 1HG1 VAL 7 1HG1 VAL 7 11.661 7.001 1.406 28 2HG1 VAL 7 2HG1 VAL 7 12.717 6.791 2.784 29 3HG1 VAL 7 3HG1 VAL 7 12.543 8.373 2.047 30 1HG2 VAL 7 1HG2 VAL 7 12.170 7.712 5.014 31 2HG2 VAL 7 2HG2 VAL 7 10.686 8.600 5.302 32 3HG2 VAL 7 3HG2 VAL 7 11.971 9.325 4.348 33 H CYS 8 H CYS 8 7.580 9.456 1.782 34 HA CYS 8 HA CYS 8 7.078 7.047 0.166 35 1HB CYS 8 2HB CYS 8 5.314 8.067 1.612 36 2HB CYS 8 1HB CYS 8 5.339 9.485 0.602 37 HA PRO 9 HA PRO 9 8.313 9.140 -3.643 38 1HB PRO 9 2HB PRO 9 6.492 7.487 -5.238 39 2HB PRO 9 1HB PRO 9 8.245 7.436 -5.153 40 1HG PRO 9 2HG PRO 9 6.481 5.524 -4.110 41 2HG PRO 9 1HG PRO 9 8.191 5.656 -3.726 42 1HD PRO 9 2HD PRO 9 5.846 6.445 -2.099 43 2HD PRO 9 1HD PRO 9 7.512 6.085 -1.580 44 H LYS 10 H LYS 10 6.614 9.389 -5.851 45 HA LYS 10 HA LYS 10 4.290 10.995 -4.993 46 1HB LYS 10 2HB LYS 10 5.297 12.804 -6.677 47 2HB LYS 10 1HB LYS 10 5.860 12.743 -5.028 48 1HG LYS 10 2HG LYS 10 7.822 12.900 -6.463 49 2HG LYS 10 1HG LYS 10 7.812 11.319 -5.745 50 1HD LYS 10 2HD LYS 10 8.411 11.057 -8.063 51 2HD LYS 10 1HD LYS 10 6.812 10.381 -7.875 52 1HE LYS 10 2HE LYS 10 5.835 12.536 -8.766 53 2HE LYS 10 1HE LYS 10 7.465 13.158 -8.961 54 1HZ LYS 10 1HZ LYS 10 6.296 10.797 -10.304 55 2HZ LYS 10 2HZ LYS 10 7.925 11.262 -10.425 56 3HZ LYS 10 3HZ LYS 10 6.704 12.285 -11.015 57 H ILE 11 H ILE 11 4.601 8.483 -6.265 58 HA ILE 11 HA ILE 11 3.858 8.858 -9.100 59 HB ILE 11 HB ILE 11 4.119 6.329 -7.392 60 1HG1 ILE 11 2HG1 ILE 11 6.052 7.496 -9.460 61 2HG1 ILE 11 1HG1 ILE 11 6.266 7.661 -7.730 62 1HG2 ILE 11 1HG2 ILE 11 3.880 6.660 -10.427 63 2HG2 ILE 11 2HG2 ILE 11 2.623 6.023 -9.379 64 3HG2 ILE 11 3HG2 ILE 11 4.114 5.135 -9.591 65 1HD1 ILE 11 1HD1 ILE 11 6.199 5.009 -9.237 66 2HD1 ILE 11 2HD1 ILE 11 6.375 5.186 -7.496 67 3HD1 ILE 11 3HD1 ILE 11 7.619 5.791 -8.575 68 H LEU 12 H LEU 12 1.829 8.717 -9.855 69 HA LEU 12 HA LEU 12 -0.413 9.089 -8.171 70 1HB LEU 12 2HB LEU 12 -0.260 8.188 -11.083 71 2HB LEU 12 1HB LEU 12 -1.740 8.667 -10.281 72 HG LEU 12 HG LEU 12 -0.389 10.863 -9.710 73 1HD1 LEU 12 1HD1 LEU 12 1.829 10.258 -10.571 74 2HD1 LEU 12 2HD1 LEU 12 1.172 11.571 -11.502 75 3HD1 LEU 12 3HD1 LEU 12 1.150 9.947 -12.159 76 1HD2 LEU 12 1HD2 LEU 12 -2.413 10.796 -11.148 77 2HD2 LEU 12 2HD2 LEU 12 -1.440 10.301 -12.524 78 3HD2 LEU 12 3HD2 LEU 12 -1.236 11.903 -11.831 79 H LYS 13 H LYS 13 -1.001 7.626 -6.759 80 HA LYS 13 HA LYS 13 -1.839 4.939 -7.676 81 1HB LYS 13 2HB LYS 13 0.564 4.888 -6.748 82 2HB LYS 13 1HB LYS 13 -0.111 5.330 -5.199 83 1HG LYS 13 2HG LYS 13 -1.512 3.324 -5.132 84 2HG LYS 13 1HG LYS 13 -1.032 2.873 -6.754 85 1HD LYS 13 2HD LYS 13 0.838 3.064 -4.355 86 2HD LYS 13 1HD LYS 13 0.182 1.572 -4.992 87 1HE LYS 13 2HE LYS 13 2.088 3.466 -6.457 88 2HE LYS 13 1HE LYS 13 2.458 1.867 -5.846 89 1HZ LYS 13 1HZ LYS 13 2.053 1.637 -8.118 90 2HZ LYS 13 2HZ LYS 13 0.630 2.561 -8.051 91 3HZ LYS 13 3HZ LYS 13 0.676 1.020 -7.340 92 H LYS 14 H LYS 14 -3.470 4.049 -6.352 93 HA LYS 14 HA LYS 14 -4.835 6.049 -4.655 94 1HB LYS 14 2HB LYS 14 -5.908 3.496 -5.880 95 2HB LYS 14 1HB LYS 14 -6.819 4.696 -4.992 96 1HG LYS 14 2HG LYS 14 -7.246 5.386 -7.193 97 2HG LYS 14 1HG LYS 14 -5.891 6.404 -6.778 98 1HD LYS 14 2HD LYS 14 -4.446 4.385 -7.860 99 2HD LYS 14 1HD LYS 14 -5.980 3.982 -8.580 100 1HE LYS 14 2HE LYS 14 -4.719 5.436 -10.094 101 2HE LYS 14 1HE LYS 14 -6.135 6.303 -9.513 102 1HZ LYS 14 1HZ LYS 14 -3.418 6.965 -9.228 103 2HZ LYS 14 2HZ LYS 14 -4.097 6.761 -7.687 104 3HZ LYS 14 3HZ LYS 14 -4.788 7.864 -8.779 105 H CYS 15 H CYS 15 -5.751 5.551 -2.802 106 HA CYS 15 HA CYS 15 -5.035 3.071 -1.359 107 1HB CYS 15 2HB CYS 15 -4.198 4.389 0.563 108 2HB CYS 15 1HB CYS 15 -3.209 4.567 -0.859 109 H ARG 16 H ARG 16 -6.444 2.460 0.209 110 HA ARG 16 HA ARG 16 -8.960 4.048 0.445 111 1HB ARG 16 2HB ARG 16 -8.299 1.103 0.920 112 2HB ARG 16 1HB ARG 16 -9.805 1.813 1.452 113 1HG ARG 16 2HG ARG 16 -10.179 0.751 -0.690 114 2HG ARG 16 1HG ARG 16 -10.304 2.480 -0.911 115 1HD ARG 16 2HD ARG 16 -8.038 2.558 -1.900 116 2HD ARG 16 1HD ARG 16 -7.812 0.840 -1.598 117 HE ARG 16 HE ARG 16 -9.389 2.066 -3.723 118 1HH1 ARG 16 1HH1 ARG 16 -8.946 -0.757 -1.755 119 2HH1 ARG 16 2HH1 ARG 16 -9.687 -1.811 -2.911 120 1HH2 ARG 16 1HH2 ARG 16 -10.331 0.747 -5.192 121 2HH2 ARG 16 2HH2 ARG 16 -10.483 -0.950 -4.880 122 H ARG 17 H ARG 17 -6.340 2.565 2.145 123 HA ARG 17 HA ARG 17 -6.945 4.099 4.611 124 1HB ARG 17 2HB ARG 17 -6.165 2.169 5.953 125 2HB ARG 17 1HB ARG 17 -7.621 1.757 5.085 126 1HG ARG 17 2HG ARG 17 -4.860 1.056 3.991 127 2HG ARG 17 1HG ARG 17 -5.664 0.032 5.142 128 1HD ARG 17 2HD ARG 17 -7.585 -0.286 3.633 129 2HD ARG 17 1HD ARG 17 -6.858 0.778 2.450 130 HE ARG 17 HE ARG 17 -5.280 -0.885 1.911 131 1HH1 ARG 17 1HH1 ARG 17 -7.133 -1.766 4.711 132 2HH1 ARG 17 2HH1 ARG 17 -6.567 -3.401 4.699 133 1HH2 ARG 17 1HH2 ARG 17 -4.555 -2.940 1.887 134 2HH2 ARG 17 2HH2 ARG 17 -5.086 -4.077 3.082 135 H ASP 18 H ASP 18 -4.910 4.204 5.965 136 HA ASP 18 HA ASP 18 -2.845 5.377 4.562 137 1HB ASP 18 2HB ASP 18 -2.995 4.099 7.294 138 2HB ASP 18 1HB ASP 18 -1.612 5.022 6.759 139 H SER 19 H SER 19 -2.808 2.120 5.905 140 HA SER 19 HA SER 19 -0.242 1.495 4.676 141 1HB SER 19 2HB SER 19 -0.615 -0.689 5.711 142 2HB SER 19 1HB SER 19 -0.926 0.665 6.832 143 HG SER 19 HG SER 19 -2.887 -0.669 5.267 144 H ASP 20 H ASP 20 -2.644 2.057 3.042 145 HA ASP 20 HA ASP 20 -3.071 -0.424 1.455 146 1HB ASP 20 2HB ASP 20 -4.890 1.387 1.872 147 2HB ASP 20 1HB ASP 20 -3.992 2.367 0.747 148 H CYS 21 H CYS 21 -1.114 2.348 1.623 149 HA CYS 21 HA CYS 21 -0.204 2.301 -1.165 150 1HB CYS 21 2HB CYS 21 -0.454 4.404 0.106 151 2HB CYS 21 1HB CYS 21 0.866 3.899 1.146 152 HA PRO 22 HA PRO 22 3.303 -0.342 -0.069 153 1HB PRO 22 2HB PRO 22 4.857 0.367 -2.369 154 2HB PRO 22 1HB PRO 22 3.833 -1.041 -2.161 155 1HG PRO 22 2HG PRO 22 3.361 1.165 -3.894 156 2HG PRO 22 1HG PRO 22 2.237 -0.141 -3.543 157 1HD PRO 22 2HD PRO 22 2.277 2.632 -2.491 158 2HD PRO 22 1HD PRO 22 0.911 1.516 -2.598 159 H GLY 23 H GLY 23 5.691 -0.133 0.260 160 1HA GLY 23 2HA GLY 23 7.585 1.040 1.090 161 2HA GLY 23 1HA GLY 23 6.910 2.495 0.361 162 H ALA 24 H ALA 24 7.789 3.446 2.230 163 HA ALA 24 HA ALA 24 6.571 2.986 4.849 164 1HB ALA 24 1HB ALA 24 8.416 5.169 3.807 165 2HB ALA 24 2HB ALA 24 8.930 3.683 4.590 166 3HB ALA 24 3HB ALA 24 8.041 4.893 5.506 167 H CYS 25 H CYS 25 5.183 3.990 2.271 168 HA CYS 25 HA CYS 25 4.155 6.602 2.776 169 1HB CYS 25 2HB CYS 25 3.003 4.337 1.183 170 2HB CYS 25 1HB CYS 25 2.412 5.966 1.105 171 H ILE 26 H ILE 26 1.905 7.040 2.809 172 HA ILE 26 HA ILE 26 0.185 5.398 4.559 173 HB ILE 26 HB ILE 26 -0.401 7.783 5.654 174 1HG1 ILE 26 2HG1 ILE 26 1.358 9.033 4.283 175 2HG1 ILE 26 1HG1 ILE 26 1.280 9.369 5.996 176 1HG2 ILE 26 1HG2 ILE 26 0.252 5.844 6.946 177 2HG2 ILE 26 2HG2 ILE 26 1.082 7.256 7.564 178 3HG2 ILE 26 3HG2 ILE 26 1.939 6.095 6.563 179 1HD1 ILE 26 1HD1 ILE 26 3.639 9.140 5.375 180 2HD1 ILE 26 2HD1 ILE 26 3.363 7.584 4.632 181 3HD1 ILE 26 3HD1 ILE 26 3.219 7.783 6.363 182 H CYS 27 H CYS 27 -2.003 7.016 4.536 183 HA CYS 27 HA CYS 27 -2.386 7.576 1.618 184 1HB CYS 27 2HB CYS 27 -3.586 5.681 2.536 185 2HB CYS 27 1HB CYS 27 -4.424 6.721 3.659 186 H ARG 28 H ARG 28 -2.778 9.450 0.983 187 HA ARG 28 HA ARG 28 -3.128 11.731 2.734 188 1HB ARG 28 2HB ARG 28 -3.614 11.482 -0.227 189 2HB ARG 28 1HB ARG 28 -3.504 13.003 0.618 190 1HG ARG 28 2HG ARG 28 -1.254 10.969 0.459 191 2HG ARG 28 1HG ARG 28 -1.387 12.377 -0.572 192 1HD ARG 28 2HD ARG 28 -1.417 13.799 1.587 193 2HD ARG 28 1HD ARG 28 -0.959 12.329 2.448 194 HE ARG 28 HE ARG 28 0.837 12.571 0.306 195 1HH1 ARG 28 1HH1 ARG 28 -0.081 14.362 3.129 196 2HH1 ARG 28 2HH1 ARG 28 1.488 15.072 3.321 197 1HH2 ARG 28 1HH2 ARG 28 2.818 13.454 0.530 198 2HH2 ARG 28 2HH2 ARG 28 3.154 14.552 1.827 199 H GLY 29 H GLY 29 -4.924 13.302 2.312 200 1HA GLY 29 2HA GLY 29 -7.450 12.091 3.063 201 2HA GLY 29 1HA GLY 29 -7.172 13.810 2.782 202 H ASN 30 H ASN 30 -5.986 12.917 0.113 203 HA ASN 30 HA ASN 30 -8.462 13.177 -1.445 204 1HB ASN 30 2HB ASN 30 -6.788 13.354 -3.378 205 2HB ASN 30 1HB ASN 30 -6.592 14.554 -2.115 206 1HD2 ASN 30 1HD2 ASN 30 -5.464 11.164 -2.544 207 2HD2 ASN 30 2HD2 ASN 30 -3.849 11.509 -2.142 208 H GLY 31 H GLY 31 -7.208 10.617 -0.055 209 1HA GLY 31 2HA GLY 31 -7.542 8.335 -0.349 210 2HA GLY 31 1HA GLY 31 -8.485 8.703 -1.782 211 H TYR 32 H TYR 32 -5.186 9.787 -1.523 212 HA TYR 32 HA TYR 32 -4.268 7.569 -3.317 213 1HB TYR 32 2HB TYR 32 -3.362 10.457 -3.656 214 2HB TYR 32 1HB TYR 32 -3.050 9.129 -4.730 215 HD1 TYR 32 HD1 TYR 32 -5.613 7.867 -5.205 216 HD2 TYR 32 HD2 TYR 32 -4.740 12.008 -4.777 217 HE1 TYR 32 HE1 TYR 32 -7.594 8.419 -6.521 218 HE2 TYR 32 HE2 TYR 32 -6.721 12.560 -6.092 219 HH TYR 32 HH TYR 32 -8.163 10.840 -8.063 220 H CYS 33 H CYS 33 -2.074 7.120 -3.210 221 HA CYS 33 HA CYS 33 -0.925 6.965 -0.690 222 1HB CYS 33 2HB CYS 33 0.246 6.931 -3.473 223 2HB CYS 33 1HB CYS 33 1.358 6.923 -2.148 224 H GLY 34 H GLY 34 0.971 7.831 0.291 225 1HA GLY 34 2HA GLY 34 2.299 10.166 -0.483 226 2HA GLY 34 1HA GLY 34 0.870 10.695 0.396 Start of MODEL 13 1 H SER 1 H SER 1 2.491 11.908 1.696 2 HA SER 1 HA SER 1 3.770 10.254 3.795 3 1HB SER 1 2HB SER 1 5.460 11.537 2.471 4 2HB SER 1 1HB SER 1 4.588 13.039 2.825 5 HG SER 1 HG SER 1 5.715 11.212 4.677 6 H GLY 2 H GLY 2 3.686 11.266 5.864 7 1HA GLY 2 2HA GLY 2 2.224 13.546 6.639 8 2HA GLY 2 1HA GLY 2 1.056 12.232 6.568 9 H SER 3 H SER 3 2.072 10.143 7.653 10 HA SER 3 HA SER 3 2.603 10.911 10.460 11 1HB SER 3 2HB SER 3 2.044 8.149 9.254 12 2HB SER 3 1HB SER 3 1.972 8.579 10.968 13 HG SER 3 HG SER 3 0.409 9.640 8.866 14 H ASP 4 H ASP 4 3.824 8.288 10.971 15 HA ASP 4 HA ASP 4 6.515 8.909 11.191 16 1HB ASP 4 2HB ASP 4 6.839 6.451 11.556 17 2HB ASP 4 1HB ASP 4 5.428 7.062 12.403 18 H GLY 5 H GLY 5 4.891 7.818 8.379 19 1HA GLY 5 2HA GLY 5 6.851 6.532 6.867 20 2HA GLY 5 1HA GLY 5 5.608 7.566 6.173 21 H GLY 6 H GLY 6 6.070 9.944 6.328 22 1HA GLY 6 2HA GLY 6 7.479 11.811 6.040 23 2HA GLY 6 1HA GLY 6 8.861 10.808 6.474 24 H VAL 7 H VAL 7 9.448 9.144 4.814 25 HA VAL 7 HA VAL 7 9.599 10.424 2.154 26 HB VAL 7 HB VAL 7 10.920 7.875 3.183 27 1HG1 VAL 7 1HG1 VAL 7 11.552 9.617 0.759 28 2HG1 VAL 7 2HG1 VAL 7 10.829 8.018 0.702 29 3HG1 VAL 7 3HG1 VAL 7 12.478 8.213 1.267 30 1HG2 VAL 7 1HG2 VAL 7 12.040 10.712 3.024 31 2HG2 VAL 7 2HG2 VAL 7 12.956 9.287 3.488 32 3HG2 VAL 7 3HG2 VAL 7 11.648 9.860 4.508 33 H CYS 8 H CYS 8 8.319 9.850 0.592 34 HA CYS 8 HA CYS 8 7.219 7.124 0.366 35 1HB CYS 8 2HB CYS 8 5.490 8.162 1.660 36 2HB CYS 8 1HB CYS 8 5.488 9.581 0.645 37 HA PRO 9 HA PRO 9 7.350 8.375 -4.050 38 1HB PRO 9 2HB PRO 9 6.048 5.948 -4.811 39 2HB PRO 9 1HB PRO 9 7.754 6.324 -4.954 40 1HG PRO 9 2HG PRO 9 6.442 4.542 -3.055 41 2HG PRO 9 1HG PRO 9 8.159 4.729 -3.379 42 1HD PRO 9 2HD PRO 9 6.721 5.668 -1.085 43 2HD PRO 9 1HD PRO 9 8.422 5.977 -1.461 44 H LYS 10 H LYS 10 5.902 9.973 -3.787 45 HA LYS 10 HA LYS 10 3.046 9.471 -3.275 46 1HB LYS 10 2HB LYS 10 3.014 12.088 -3.533 47 2HB LYS 10 1HB LYS 10 3.806 11.390 -2.148 48 1HG LYS 10 2HG LYS 10 5.142 13.221 -3.108 49 2HG LYS 10 1HG LYS 10 6.023 11.717 -3.157 50 1HD LYS 10 2HD LYS 10 5.451 11.473 -5.583 51 2HD LYS 10 1HD LYS 10 4.546 12.980 -5.513 52 1HE LYS 10 2HE LYS 10 6.631 14.186 -4.888 53 2HE LYS 10 1HE LYS 10 7.525 12.672 -4.941 54 1HZ LYS 10 1HZ LYS 10 6.088 13.913 -7.214 55 2HZ LYS 10 2HZ LYS 10 6.949 12.450 -7.266 56 3HZ LYS 10 3HZ LYS 10 7.769 13.910 -6.976 57 H ILE 11 H ILE 11 3.562 8.148 -5.403 58 HA ILE 11 HA ILE 11 3.028 9.664 -7.878 59 HB ILE 11 HB ILE 11 3.395 6.663 -7.361 60 1HG1 ILE 11 2HG1 ILE 11 5.410 8.717 -8.407 61 2HG1 ILE 11 1HG1 ILE 11 5.398 8.117 -6.763 62 1HG2 ILE 11 1HG2 ILE 11 2.213 7.114 -9.518 63 2HG2 ILE 11 2HG2 ILE 11 3.821 6.524 -9.827 64 3HG2 ILE 11 3HG2 ILE 11 3.479 8.238 -9.984 65 1HD1 ILE 11 1HD1 ILE 11 5.776 5.804 -7.588 66 2HD1 ILE 11 2HD1 ILE 11 7.058 6.894 -8.086 67 3HD1 ILE 11 3HD1 ILE 11 5.837 6.398 -9.240 68 H LEU 12 H LEU 12 1.241 8.882 -9.267 69 HA LEU 12 HA LEU 12 -1.280 8.993 -7.914 70 1HB LEU 12 2HB LEU 12 -0.621 8.276 -10.810 71 2HB LEU 12 1HB LEU 12 -2.226 8.627 -10.208 72 HG LEU 12 HG LEU 12 -1.081 10.883 -9.375 73 1HD1 LEU 12 1HD1 LEU 12 1.248 10.410 -10.016 74 2HD1 LEU 12 2HD1 LEU 12 0.626 11.736 -10.955 75 3HD1 LEU 12 3HD1 LEU 12 0.752 10.143 -11.678 76 1HD2 LEU 12 1HD2 LEU 12 -2.933 10.764 -11.024 77 2HD2 LEU 12 2HD2 LEU 12 -1.790 10.380 -12.302 78 3HD2 LEU 12 3HD2 LEU 12 -1.753 11.959 -11.531 79 H LYS 13 H LYS 13 -1.068 7.279 -6.487 80 HA LYS 13 HA LYS 13 -1.902 4.631 -7.521 81 1HB LYS 13 2HB LYS 13 0.181 5.318 -5.393 82 2HB LYS 13 1HB LYS 13 -0.528 3.732 -5.510 83 1HG LYS 13 2HG LYS 13 0.752 4.904 -7.989 84 2HG LYS 13 1HG LYS 13 1.804 4.383 -6.698 85 1HD LYS 13 2HD LYS 13 1.514 2.541 -8.278 86 2HD LYS 13 1HD LYS 13 0.795 2.121 -6.742 87 1HE LYS 13 2HE LYS 13 -0.632 1.440 -8.657 88 2HE LYS 13 1HE LYS 13 -1.470 2.580 -7.627 89 1HZ LYS 13 1HZ LYS 13 -0.896 2.781 -10.348 90 2HZ LYS 13 2HZ LYS 13 -0.033 4.013 -9.561 91 3HZ LYS 13 3HZ LYS 13 -1.714 3.897 -9.364 92 H LYS 14 H LYS 14 -4.000 4.632 -6.860 93 HA LYS 14 HA LYS 14 -4.986 6.207 -4.719 94 1HB LYS 14 2HB LYS 14 -6.172 3.647 -5.800 95 2HB LYS 14 1HB LYS 14 -6.989 4.836 -4.802 96 1HG LYS 14 2HG LYS 14 -6.717 6.562 -6.514 97 2HG LYS 14 1HG LYS 14 -5.841 5.447 -7.557 98 1HD LYS 14 2HD LYS 14 -7.849 3.947 -7.575 99 2HD LYS 14 1HD LYS 14 -8.707 5.118 -6.586 100 1HE LYS 14 2HE LYS 14 -7.579 5.707 -9.358 101 2HE LYS 14 1HE LYS 14 -9.268 5.365 -9.013 102 1HZ LYS 14 1HZ LYS 14 -9.333 7.284 -7.568 103 2HZ LYS 14 2HZ LYS 14 -8.857 7.722 -9.139 104 3HZ LYS 14 3HZ LYS 14 -7.702 7.613 -7.899 105 H CYS 15 H CYS 15 -5.643 5.735 -2.757 106 HA CYS 15 HA CYS 15 -4.710 3.227 -1.430 107 1HB CYS 15 2HB CYS 15 -3.858 4.559 0.440 108 2HB CYS 15 1HB CYS 15 -3.020 4.882 -1.051 109 H ARG 16 H ARG 16 -6.161 2.309 -0.203 110 HA ARG 16 HA ARG 16 -8.739 3.611 0.325 111 1HB ARG 16 2HB ARG 16 -8.668 1.195 -0.315 112 2HB ARG 16 1HB ARG 16 -7.629 0.844 1.049 113 1HG ARG 16 2HG ARG 16 -9.927 0.185 1.579 114 2HG ARG 16 1HG ARG 16 -9.442 1.502 2.622 115 1HD ARG 16 2HD ARG 16 -10.670 3.111 1.066 116 2HD ARG 16 1HD ARG 16 -11.190 1.719 0.126 117 HE ARG 16 HE ARG 16 -12.740 1.208 1.807 118 1HH1 ARG 16 1HH1 ARG 16 -10.376 3.463 2.973 119 2HH1 ARG 16 2HH1 ARG 16 -11.220 3.749 4.458 120 1HH2 ARG 16 1HH2 ARG 16 -13.819 1.556 3.681 121 2HH2 ARG 16 2HH2 ARG 16 -13.195 2.654 4.867 122 H ARG 17 H ARG 17 -6.283 1.975 2.184 123 HA ARG 17 HA ARG 17 -6.774 3.711 4.572 124 1HB ARG 17 2HB ARG 17 -5.760 1.835 5.889 125 2HB ARG 17 1HB ARG 17 -7.168 1.277 5.005 126 1HG ARG 17 2HG ARG 17 -5.742 0.309 3.249 127 2HG ARG 17 1HG ARG 17 -4.295 0.965 4.002 128 1HD ARG 17 2HD ARG 17 -4.708 -0.449 5.997 129 2HD ARG 17 1HD ARG 17 -6.128 -1.141 5.204 130 HE ARG 17 HE ARG 17 -4.171 -1.519 3.328 131 1HH1 ARG 17 1HH1 ARG 17 -4.375 -2.217 6.720 132 2HH1 ARG 17 2HH1 ARG 17 -3.323 -3.588 6.610 133 1HH2 ARG 17 1HH2 ARG 17 -2.844 -3.245 3.173 134 2HH2 ARG 17 2HH2 ARG 17 -2.443 -4.179 4.575 135 H ASP 18 H ASP 18 -4.666 3.928 5.899 136 HA ASP 18 HA ASP 18 -2.815 5.373 4.413 137 1HB ASP 18 2HB ASP 18 -2.802 4.125 7.151 138 2HB ASP 18 1HB ASP 18 -1.447 5.063 6.580 139 H SER 19 H SER 19 -2.466 2.119 5.676 140 HA SER 19 HA SER 19 0.142 1.749 4.412 141 1HB SER 19 2HB SER 19 -0.021 -0.483 5.426 142 2HB SER 19 1HB SER 19 -0.436 0.814 6.579 143 HG SER 19 HG SER 19 -2.277 -0.669 5.007 144 H ASP 20 H ASP 20 -2.547 2.014 2.970 145 HA ASP 20 HA ASP 20 -2.801 -0.422 1.356 146 1HB ASP 20 2HB ASP 20 -4.653 1.346 1.777 147 2HB ASP 20 1HB ASP 20 -3.829 2.315 0.584 148 H CYS 21 H CYS 21 -0.860 2.305 1.439 149 HA CYS 21 HA CYS 21 -0.044 2.341 -1.386 150 1HB CYS 21 2HB CYS 21 -0.255 4.396 -0.069 151 2HB CYS 21 1HB CYS 21 1.030 3.844 0.985 152 HA PRO 22 HA PRO 22 3.574 -0.263 -0.451 153 1HB PRO 22 2HB PRO 22 5.095 0.825 -2.669 154 2HB PRO 22 1HB PRO 22 4.313 -0.743 -2.544 155 1HG PRO 22 2HG PRO 22 3.492 1.353 -4.230 156 2HG PRO 22 1HG PRO 22 2.506 -0.037 -3.795 157 1HD PRO 22 2HD PRO 22 2.415 2.748 -2.736 158 2HD PRO 22 1HD PRO 22 1.089 1.591 -2.876 159 H GLY 23 H GLY 23 5.859 0.048 0.121 160 1HA GLY 23 2HA GLY 23 7.653 1.253 1.097 161 2HA GLY 23 1HA GLY 23 6.960 2.722 0.419 162 H ALA 24 H ALA 24 7.759 3.505 2.459 163 HA ALA 24 HA ALA 24 6.359 2.845 4.933 164 1HB ALA 24 1HB ALA 24 8.715 3.592 4.894 165 2HB ALA 24 2HB ALA 24 7.744 4.711 5.839 166 3HB ALA 24 3HB ALA 24 8.231 5.130 4.199 167 H CYS 25 H CYS 25 5.271 4.207 2.300 168 HA CYS 25 HA CYS 25 4.166 6.703 2.832 169 1HB CYS 25 2HB CYS 25 3.040 4.433 1.241 170 2HB CYS 25 1HB CYS 25 2.425 6.053 1.142 171 H ILE 26 H ILE 26 2.002 7.295 2.900 172 HA ILE 26 HA ILE 26 0.175 5.745 4.653 173 HB ILE 26 HB ILE 26 -0.350 8.303 5.487 174 1HG1 ILE 26 2HG1 ILE 26 1.652 9.226 4.202 175 2HG1 ILE 26 1HG1 ILE 26 1.459 9.720 5.865 176 1HG2 ILE 26 1HG2 ILE 26 -0.062 6.449 7.001 177 2HG2 ILE 26 2HG2 ILE 26 0.866 7.816 7.566 178 3HG2 ILE 26 3HG2 ILE 26 1.675 6.464 6.781 179 1HD1 ILE 26 1HD1 ILE 26 3.189 8.036 6.571 180 2HD1 ILE 26 2HD1 ILE 26 3.844 9.177 5.438 181 3HD1 ILE 26 3HD1 ILE 26 3.428 7.571 4.900 182 H CYS 27 H CYS 27 -2.039 6.987 4.443 183 HA CYS 27 HA CYS 27 -2.376 7.582 1.543 184 1HB CYS 27 2HB CYS 27 -3.593 5.730 2.495 185 2HB CYS 27 1HB CYS 27 -4.433 6.774 3.612 186 H ARG 28 H ARG 28 -2.583 9.529 0.914 187 HA ARG 28 HA ARG 28 -3.104 11.764 2.715 188 1HB ARG 28 2HB ARG 28 -3.150 11.700 -0.294 189 2HB ARG 28 1HB ARG 28 -3.114 13.156 0.672 190 1HG ARG 28 2HG ARG 28 -0.933 12.413 1.670 191 2HG ARG 28 1HG ARG 28 -0.970 11.011 0.614 192 1HD ARG 28 2HD ARG 28 -0.993 13.901 -0.379 193 2HD ARG 28 1HD ARG 28 0.436 12.873 -0.320 194 HE ARG 28 HE ARG 28 -1.782 11.659 -1.770 195 1HH1 ARG 28 1HH1 ARG 28 0.930 13.810 -1.967 196 2HH1 ARG 28 2HH1 ARG 28 1.129 13.581 -3.671 197 1HH2 ARG 28 1HH2 ARG 28 -1.548 11.356 -3.918 198 2HH2 ARG 28 2HH2 ARG 28 -0.297 12.171 -4.796 199 H GLY 29 H GLY 29 -4.744 13.376 2.200 200 1HA GLY 29 2HA GLY 29 -7.390 12.286 2.543 201 2HA GLY 29 1HA GLY 29 -6.996 13.990 2.368 202 H ASN 30 H ASN 30 -5.600 13.007 -0.251 203 HA ASN 30 HA ASN 30 -7.904 13.620 -1.965 204 1HB ASN 30 2HB ASN 30 -6.213 13.596 -3.803 205 2HB ASN 30 1HB ASN 30 -5.721 14.621 -2.472 206 1HD2 ASN 30 1HD2 ASN 30 -3.537 14.246 -3.572 207 2HD2 ASN 30 2HD2 ASN 30 -2.645 12.884 -3.092 208 H GLY 31 H GLY 31 -6.660 10.825 -0.665 209 1HA GLY 31 2HA GLY 31 -7.507 8.631 -0.931 210 2HA GLY 31 1HA GLY 31 -8.286 9.118 -2.434 211 H TYR 32 H TYR 32 -4.953 9.755 -1.702 212 HA TYR 32 HA TYR 32 -3.972 7.516 -3.374 213 1HB TYR 32 2HB TYR 32 -3.195 10.409 -3.925 214 2HB TYR 32 1HB TYR 32 -2.520 9.009 -4.718 215 HD1 TYR 32 HD1 TYR 32 -3.708 7.885 -6.511 216 HD2 TYR 32 HD2 TYR 32 -5.549 11.090 -4.399 217 HE1 TYR 32 HE1 TYR 32 -5.446 8.028 -8.231 218 HE2 TYR 32 HE2 TYR 32 -7.282 11.230 -6.116 219 HH TYR 32 HH TYR 32 -8.273 9.389 -7.881 220 H CYS 33 H CYS 33 -1.858 7.143 -3.177 221 HA CYS 33 HA CYS 33 -0.669 7.047 -0.695 222 1HB CYS 33 2HB CYS 33 0.536 7.074 -3.470 223 2HB CYS 33 1HB CYS 33 1.609 6.985 -2.117 224 H GLY 34 H GLY 34 1.158 7.976 0.325 225 1HA GLY 34 2HA GLY 34 2.489 10.305 -0.500 226 2HA GLY 34 1HA GLY 34 1.065 10.838 0.374 Start of MODEL 14 1 H SER 1 H SER 1 2.704 11.879 1.050 2 HA SER 1 HA SER 1 4.987 10.168 1.752 3 1HB SER 1 2HB SER 1 4.768 13.182 1.261 4 2HB SER 1 1HB SER 1 6.293 12.308 1.495 5 HG SER 1 HG SER 1 4.321 11.670 -0.440 6 H GLY 2 H GLY 2 2.599 11.525 3.504 7 1HA GLY 2 2HA GLY 2 2.302 11.822 5.773 8 2HA GLY 2 1HA GLY 2 3.818 10.977 6.004 9 H SER 3 H SER 3 2.256 13.679 6.631 10 HA SER 3 HA SER 3 4.496 15.607 6.419 11 1HB SER 3 2HB SER 3 1.682 15.923 7.595 12 2HB SER 3 1HB SER 3 2.833 17.242 7.315 13 HG SER 3 HG SER 3 1.802 15.434 5.387 14 H ASP 4 H ASP 4 5.918 15.832 7.973 15 HA ASP 4 HA ASP 4 7.074 15.632 9.971 16 1HB ASP 4 2HB ASP 4 5.255 17.268 10.643 17 2HB ASP 4 1HB ASP 4 4.263 15.929 11.182 18 H GLY 5 H GLY 5 6.745 13.328 8.772 19 1HA GLY 5 2HA GLY 5 7.509 11.226 10.086 20 2HA GLY 5 1HA GLY 5 5.871 11.285 10.748 21 H GLY 6 H GLY 6 7.408 9.429 8.746 22 1HA GLY 6 2HA GLY 6 6.367 7.906 7.246 23 2HA GLY 6 1HA GLY 6 5.115 9.103 6.904 24 H VAL 7 H VAL 7 6.876 7.621 5.110 25 HA VAL 7 HA VAL 7 7.873 9.910 3.496 26 HB VAL 7 HB VAL 7 9.565 7.428 4.094 27 1HG1 VAL 7 1HG1 VAL 7 9.918 8.302 1.785 28 2HG1 VAL 7 2HG1 VAL 7 11.327 8.605 2.781 29 3HG1 VAL 7 3HG1 VAL 7 10.204 9.909 2.431 30 1HG2 VAL 7 1HG2 VAL 7 9.991 10.326 4.951 31 2HG2 VAL 7 2HG2 VAL 7 11.117 9.008 5.226 32 3HG2 VAL 7 3HG2 VAL 7 9.558 9.001 6.021 33 H CYS 8 H CYS 8 7.434 9.703 1.406 34 HA CYS 8 HA CYS 8 6.976 7.061 0.180 35 1HB CYS 8 2HB CYS 8 4.808 7.942 1.201 36 2HB CYS 8 1HB CYS 8 4.850 9.207 -0.001 37 HA PRO 9 HA PRO 9 8.485 9.552 -3.319 38 1HB PRO 9 2HB PRO 9 7.800 7.616 -5.292 39 2HB PRO 9 1HB PRO 9 9.364 7.835 -4.525 40 1HG PRO 9 2HG PRO 9 7.480 5.677 -4.149 41 2HG PRO 9 1HG PRO 9 9.085 5.847 -3.459 42 1HD PRO 9 2HD PRO 9 6.511 6.245 -2.132 43 2HD PRO 9 1HD PRO 9 8.136 6.255 -1.420 44 H LYS 10 H LYS 10 7.452 9.811 -5.700 45 HA LYS 10 HA LYS 10 4.850 11.086 -5.258 46 1HB LYS 10 2HB LYS 10 5.219 11.883 -7.646 47 2HB LYS 10 1HB LYS 10 6.496 12.309 -6.527 48 1HG LYS 10 2HG LYS 10 7.912 10.455 -7.363 49 2HG LYS 10 1HG LYS 10 6.633 9.892 -8.408 50 1HD LYS 10 2HD LYS 10 8.226 11.176 -9.730 51 2HD LYS 10 1HD LYS 10 6.716 12.059 -9.660 52 1HE LYS 10 2HE LYS 10 8.678 13.556 -9.304 53 2HE LYS 10 1HE LYS 10 7.650 13.542 -7.882 54 1HZ LYS 10 1HZ LYS 10 9.122 12.129 -6.763 55 2HZ LYS 10 2HZ LYS 10 10.099 13.306 -7.501 56 3HZ LYS 10 3HZ LYS 10 9.983 11.753 -8.177 57 H ILE 11 H ILE 11 4.016 8.855 -4.779 58 HA ILE 11 HA ILE 11 3.329 7.203 -7.120 59 HB ILE 11 HB ILE 11 2.734 6.876 -4.143 60 1HG1 ILE 11 2HG1 ILE 11 4.791 5.507 -5.950 61 2HG1 ILE 11 1HG1 ILE 11 5.166 6.732 -4.757 62 1HG2 ILE 11 1HG2 ILE 11 2.330 4.957 -6.475 63 2HG2 ILE 11 2HG2 ILE 11 1.057 5.726 -5.548 64 3HG2 ILE 11 3HG2 ILE 11 2.078 4.539 -4.785 65 1HD1 ILE 11 1HD1 ILE 11 4.316 5.240 -2.949 66 2HD1 ILE 11 2HD1 ILE 11 5.627 4.491 -3.844 67 3HD1 ILE 11 3HD1 ILE 11 3.978 3.991 -4.137 68 H LEU 12 H LEU 12 1.564 7.473 -8.232 69 HA LEU 12 HA LEU 12 -0.700 9.082 -7.150 70 1HB LEU 12 2HB LEU 12 0.160 8.379 -9.992 71 2HB LEU 12 1HB LEU 12 -1.333 9.228 -9.642 72 HG LEU 12 HG LEU 12 1.369 10.244 -8.691 73 1HD1 LEU 12 1HD1 LEU 12 1.259 11.824 -10.628 74 2HD1 LEU 12 2HD1 LEU 12 -0.210 11.041 -11.190 75 3HD1 LEU 12 3HD1 LEU 12 1.314 10.166 -11.197 76 1HD2 LEU 12 1HD2 LEU 12 0.142 12.393 -8.457 77 2HD2 LEU 12 2HD2 LEU 12 -0.609 11.154 -7.476 78 3HD2 LEU 12 3HD2 LEU 12 -1.336 11.619 -9.004 79 H LYS 13 H LYS 13 -0.334 6.439 -6.359 80 HA LYS 13 HA LYS 13 -2.479 4.890 -7.725 81 1HB LYS 13 2HB LYS 13 -0.444 4.163 -5.593 82 2HB LYS 13 1HB LYS 13 -1.784 3.117 -5.976 83 1HG LYS 13 2HG LYS 13 -0.940 3.302 -8.463 84 2HG LYS 13 1HG LYS 13 0.523 3.983 -7.783 85 1HD LYS 13 2HD LYS 13 -0.646 1.270 -7.004 86 2HD LYS 13 1HD LYS 13 0.630 1.479 -8.181 87 1HE LYS 13 2HE LYS 13 0.869 2.361 -5.274 88 2HE LYS 13 1HE LYS 13 1.455 0.830 -5.904 89 1HZ LYS 13 1HZ LYS 13 3.156 1.791 -6.954 90 2HZ LYS 13 2HZ LYS 13 2.936 3.001 -5.783 91 3HZ LYS 13 3HZ LYS 13 2.295 3.200 -7.345 92 H LYS 14 H LYS 14 -4.445 4.584 -6.785 93 HA LYS 14 HA LYS 14 -5.203 6.321 -4.652 94 1HB LYS 14 2HB LYS 14 -6.654 3.879 -5.678 95 2HB LYS 14 1HB LYS 14 -7.334 5.131 -4.652 96 1HG LYS 14 2HG LYS 14 -6.921 6.850 -6.374 97 2HG LYS 14 1HG LYS 14 -6.223 5.654 -7.449 98 1HD LYS 14 2HD LYS 14 -9.097 5.621 -6.429 99 2HD LYS 14 1HD LYS 14 -8.604 6.207 -8.004 100 1HE LYS 14 2HE LYS 14 -7.712 3.932 -8.562 101 2HE LYS 14 1HE LYS 14 -8.270 3.342 -7.001 102 1HZ LYS 14 1HZ LYS 14 -10.508 3.892 -7.591 103 2HZ LYS 14 2HZ LYS 14 -9.831 2.877 -8.773 104 3HZ LYS 14 3HZ LYS 14 -10.001 4.540 -9.077 105 H CYS 15 H CYS 15 -5.815 5.871 -2.636 106 HA CYS 15 HA CYS 15 -4.899 3.307 -1.383 107 1HB CYS 15 2HB CYS 15 -4.015 4.598 0.491 108 2HB CYS 15 1HB CYS 15 -3.213 4.963 -1.009 109 H ARG 16 H ARG 16 -6.194 2.398 -0.031 110 HA ARG 16 HA ARG 16 -8.847 3.542 0.545 111 1HB ARG 16 2HB ARG 16 -7.609 0.861 1.343 112 2HB ARG 16 1HB ARG 16 -9.310 1.278 1.462 113 1HG ARG 16 2HG ARG 16 -9.463 1.527 -0.986 114 2HG ARG 16 1HG ARG 16 -7.742 1.235 -1.156 115 1HD ARG 16 2HD ARG 16 -8.052 -1.069 -0.199 116 2HD ARG 16 1HD ARG 16 -9.778 -0.756 -0.066 117 HE ARG 16 HE ARG 16 -9.982 -1.135 -2.358 118 1HH1 ARG 16 1HH1 ARG 16 -6.676 -0.459 -1.570 119 2HH1 ARG 16 2HH1 ARG 16 -6.104 -0.811 -3.165 120 1HH2 ARG 16 1HH2 ARG 16 -9.283 -1.581 -4.382 121 2HH2 ARG 16 2HH2 ARG 16 -7.602 -1.453 -4.781 122 H ARG 17 H ARG 17 -6.036 2.371 2.168 123 HA ARG 17 HA ARG 17 -6.526 4.016 4.599 124 1HB ARG 17 2HB ARG 17 -5.598 2.125 5.948 125 2HB ARG 17 1HB ARG 17 -7.073 1.634 5.132 126 1HG ARG 17 2HG ARG 17 -5.721 0.617 3.316 127 2HG ARG 17 1HG ARG 17 -4.234 1.094 4.118 128 1HD ARG 17 2HD ARG 17 -4.881 -0.352 6.066 129 2HD ARG 17 1HD ARG 17 -6.289 -0.898 5.155 130 HE ARG 17 HE ARG 17 -3.546 -1.726 4.730 131 1HH1 ARG 17 1HH1 ARG 17 -6.568 -1.125 3.131 132 2HH1 ARG 17 2HH1 ARG 17 -6.210 -2.198 1.821 133 1HH2 ARG 17 1HH2 ARG 17 -3.085 -3.088 3.087 134 2HH2 ARG 17 2HH2 ARG 17 -4.217 -3.329 1.796 135 H ASP 18 H ASP 18 -4.353 4.133 5.851 136 HA ASP 18 HA ASP 18 -2.441 5.409 4.325 137 1HB ASP 18 2HB ASP 18 -2.306 4.060 7.027 138 2HB ASP 18 1HB ASP 18 -1.060 5.117 6.412 139 H SER 19 H SER 19 -2.225 2.164 5.646 140 HA SER 19 HA SER 19 0.276 1.551 4.336 141 1HB SER 19 2HB SER 19 -0.109 -0.686 5.291 142 2HB SER 19 1HB SER 19 -0.455 0.599 6.474 143 HG SER 19 HG SER 19 -2.674 0.477 5.600 144 H ASP 20 H ASP 20 -2.585 1.914 2.963 145 HA ASP 20 HA ASP 20 -2.810 -0.431 1.243 146 1HB ASP 20 2HB ASP 20 -4.645 1.339 1.771 147 2HB ASP 20 1HB ASP 20 -3.868 2.315 0.551 148 H CYS 21 H CYS 21 -0.923 2.339 1.376 149 HA CYS 21 HA CYS 21 -0.101 2.455 -1.452 150 1HB CYS 21 2HB CYS 21 -0.395 4.464 -0.108 151 2HB CYS 21 1HB CYS 21 0.894 3.943 0.953 152 HA PRO 22 HA PRO 22 3.398 -0.272 -0.558 153 1HB PRO 22 2HB PRO 22 5.028 0.733 -2.713 154 2HB PRO 22 1HB PRO 22 4.056 -0.728 -2.681 155 1HG PRO 22 2HG PRO 22 3.538 1.590 -4.221 156 2HG PRO 22 1HG PRO 22 2.432 0.246 -3.967 157 1HD PRO 22 2HD PRO 22 2.426 2.938 -2.697 158 2HD PRO 22 1HD PRO 22 1.074 1.840 -2.931 159 H GLY 23 H GLY 23 5.827 -0.100 -0.115 160 1HA GLY 23 2HA GLY 23 7.657 0.992 0.947 161 2HA GLY 23 1HA GLY 23 7.020 2.497 0.299 162 H ALA 24 H ALA 24 7.730 3.414 2.200 163 HA ALA 24 HA ALA 24 6.410 2.748 4.752 164 1HB ALA 24 1HB ALA 24 7.873 4.572 5.620 165 2HB ALA 24 2HB ALA 24 8.357 4.958 3.972 166 3HB ALA 24 3HB ALA 24 8.800 3.413 4.678 167 H CYS 25 H CYS 25 5.145 3.801 2.230 168 HA CYS 25 HA CYS 25 4.167 6.433 2.631 169 1HB CYS 25 2HB CYS 25 2.971 4.138 1.123 170 2HB CYS 25 1HB CYS 25 2.505 5.806 0.933 171 H ILE 26 H ILE 26 2.035 7.031 2.779 172 HA ILE 26 HA ILE 26 0.242 5.548 4.639 173 HB ILE 26 HB ILE 26 -0.237 8.037 5.510 174 1HG1 ILE 26 2HG1 ILE 26 1.370 9.070 3.793 175 2HG1 ILE 26 1HG1 ILE 26 1.445 9.653 5.435 176 1HG2 ILE 26 1HG2 ILE 26 1.427 7.768 7.317 177 2HG2 ILE 26 2HG2 ILE 26 2.211 6.489 6.399 178 3HG2 ILE 26 3HG2 ILE 26 0.570 6.278 6.977 179 1HD1 ILE 26 1HD1 ILE 26 3.421 7.607 4.272 180 2HD1 ILE 26 2HD1 ILE 26 3.437 8.238 5.896 181 3HD1 ILE 26 3HD1 ILE 26 3.750 9.281 4.539 182 H CYS 27 H CYS 27 -1.806 7.465 4.536 183 HA CYS 27 HA CYS 27 -2.339 7.716 1.595 184 1HB CYS 27 2HB CYS 27 -3.444 5.796 2.507 185 2HB CYS 27 1HB CYS 27 -4.233 6.753 3.736 186 H ARG 28 H ARG 28 -2.797 9.612 0.940 187 HA ARG 28 HA ARG 28 -3.375 11.812 2.789 188 1HB ARG 28 2HB ARG 28 -3.512 11.807 -0.223 189 2HB ARG 28 1HB ARG 28 -3.406 13.230 0.786 190 1HG ARG 28 2HG ARG 28 -1.312 11.066 0.507 191 2HG ARG 28 1HG ARG 28 -1.213 12.645 -0.221 192 1HD ARG 28 2HD ARG 28 -1.188 12.060 2.790 193 2HD ARG 28 1HD ARG 28 0.173 12.605 1.819 194 HE ARG 28 HE ARG 28 -1.994 14.465 1.571 195 1HH1 ARG 28 1HH1 ARG 28 0.469 13.346 3.741 196 2HH1 ARG 28 2HH1 ARG 28 0.591 14.862 4.567 197 1HH2 ARG 28 1HH2 ARG 28 -1.855 16.396 2.607 198 2HH2 ARG 28 2HH2 ARG 28 -0.743 16.614 3.917 199 H GLY 29 H GLY 29 -5.155 13.319 2.307 200 1HA GLY 29 2HA GLY 29 -7.709 11.964 2.528 201 2HA GLY 29 1HA GLY 29 -7.456 13.705 2.524 202 H ASN 30 H ASN 30 -5.899 12.977 -0.134 203 HA ASN 30 HA ASN 30 -8.123 13.678 -1.893 204 1HB ASN 30 2HB ASN 30 -6.292 13.685 -3.656 205 2HB ASN 30 1HB ASN 30 -5.972 14.731 -2.284 206 1HD2 ASN 30 1HD2 ASN 30 -3.746 14.639 -2.008 207 2HD2 ASN 30 2HD2 ASN 30 -2.842 13.206 -1.896 208 H GLY 31 H GLY 31 -7.050 10.802 -0.689 209 1HA GLY 31 2HA GLY 31 -7.925 8.657 -1.158 210 2HA GLY 31 1HA GLY 31 -8.537 9.246 -2.696 211 H TYR 32 H TYR 32 -5.250 9.816 -1.791 212 HA TYR 32 HA TYR 32 -4.217 7.522 -3.361 213 1HB TYR 32 2HB TYR 32 -3.447 10.419 -3.946 214 2HB TYR 32 1HB TYR 32 -2.606 9.031 -4.573 215 HD1 TYR 32 HD1 TYR 32 -3.384 7.839 -6.435 216 HD2 TYR 32 HD2 TYR 32 -5.862 10.829 -4.711 217 HE1 TYR 32 HE1 TYR 32 -4.848 7.724 -8.384 218 HE2 TYR 32 HE2 TYR 32 -7.338 10.722 -6.660 219 HH TYR 32 HH TYR 32 -7.725 8.516 -8.556 220 H CYS 33 H CYS 33 -2.029 7.198 -3.158 221 HA CYS 33 HA CYS 33 -1.006 7.014 -0.617 222 1HB CYS 33 2HB CYS 33 0.382 7.322 -3.297 223 2HB CYS 33 1HB CYS 33 1.358 7.191 -1.873 224 H GLY 34 H GLY 34 0.569 8.019 0.635 225 1HA GLY 34 2HA GLY 34 1.006 10.934 0.138 226 2HA GLY 34 1HA GLY 34 0.366 10.364 1.673 Start of MODEL 15 1 H SER 1 H SER 1 2.422 11.984 0.545 2 HA SER 1 HA SER 1 2.803 12.947 2.548 3 1HB SER 1 2HB SER 1 0.714 10.916 3.528 4 2HB SER 1 1HB SER 1 1.290 12.293 4.469 5 HG SER 1 HG SER 1 0.670 13.630 2.732 6 H GLY 2 H GLY 2 3.355 12.464 4.819 7 1HA GLY 2 2HA GLY 2 4.709 9.984 5.483 8 2HA GLY 2 1HA GLY 2 5.858 11.243 5.032 9 H SER 3 H SER 3 2.953 12.220 6.559 10 HA SER 3 HA SER 3 4.434 13.091 8.958 11 1HB SER 3 2HB SER 3 2.298 14.380 9.428 12 2HB SER 3 1HB SER 3 2.898 14.702 7.794 13 HG SER 3 HG SER 3 1.552 12.935 7.104 14 H ASP 4 H ASP 4 2.453 10.614 7.988 15 HA ASP 4 HA ASP 4 1.395 9.882 10.644 16 1HB ASP 4 2HB ASP 4 -0.019 9.657 8.637 17 2HB ASP 4 1HB ASP 4 1.191 8.627 7.902 18 H GLY 5 H GLY 5 4.281 9.547 9.122 19 1HA GLY 5 2HA GLY 5 6.109 8.403 10.261 20 2HA GLY 5 1HA GLY 5 5.002 7.083 10.632 21 H GLY 6 H GLY 6 7.508 7.843 8.747 22 1HA GLY 6 2HA GLY 6 8.472 6.485 7.042 23 2HA GLY 6 1HA GLY 6 6.894 5.743 6.758 24 H VAL 7 H VAL 7 9.073 7.544 5.243 25 HA VAL 7 HA VAL 7 7.283 9.595 4.097 26 HB VAL 7 HB VAL 7 10.199 8.915 3.495 27 1HG1 VAL 7 1HG1 VAL 7 9.108 10.113 1.597 28 2HG1 VAL 7 2HG1 VAL 7 10.259 11.155 2.407 29 3HG1 VAL 7 3HG1 VAL 7 8.538 11.355 2.701 30 1HG2 VAL 7 1HG2 VAL 7 10.692 10.932 4.866 31 2HG2 VAL 7 2HG2 VAL 7 9.849 9.728 5.821 32 3HG2 VAL 7 3HG2 VAL 7 8.979 11.126 5.211 33 H CYS 8 H CYS 8 6.542 9.633 2.068 34 HA CYS 8 HA CYS 8 6.578 7.074 0.559 35 1HB CYS 8 2HB CYS 8 4.406 8.149 1.295 36 2HB CYS 8 1HB CYS 8 4.760 9.448 0.209 37 HA PRO 9 HA PRO 9 8.575 9.306 -2.952 38 1HB PRO 9 2HB PRO 9 7.332 7.400 -4.772 39 2HB PRO 9 1HB PRO 9 9.035 7.598 -4.389 40 1HG PRO 9 2HG PRO 9 7.351 5.464 -3.572 41 2HG PRO 9 1HG PRO 9 8.994 5.768 -3.030 42 1HD PRO 9 2HD PRO 9 6.485 6.173 -1.572 43 2HD PRO 9 1HD PRO 9 8.140 6.224 -0.938 44 H LYS 10 H LYS 10 7.679 10.466 -4.773 45 HA LYS 10 HA LYS 10 4.997 11.486 -4.202 46 1HB LYS 10 2HB LYS 10 6.994 12.205 -6.393 47 2HB LYS 10 1HB LYS 10 5.548 13.121 -5.995 48 1HG LYS 10 2HG LYS 10 6.418 13.415 -3.652 49 2HG LYS 10 1HG LYS 10 7.882 12.565 -4.108 50 1HD LYS 10 2HD LYS 10 8.365 14.285 -5.845 51 2HD LYS 10 1HD LYS 10 6.905 15.152 -5.397 52 1HE LYS 10 2HE LYS 10 9.256 14.609 -3.529 53 2HE LYS 10 1HE LYS 10 8.909 16.146 -4.307 54 1HZ LYS 10 1HZ LYS 10 7.347 14.755 -2.231 55 2HZ LYS 10 2HZ LYS 10 6.669 15.987 -3.183 56 3HZ LYS 10 3HZ LYS 10 8.009 16.319 -2.194 57 H ILE 11 H ILE 11 3.661 9.805 -4.632 58 HA ILE 11 HA ILE 11 3.107 9.226 -7.508 59 HB ILE 11 HB ILE 11 2.604 6.834 -6.854 60 1HG1 ILE 11 2HG1 ILE 11 3.999 7.541 -4.227 61 2HG1 ILE 11 1HG1 ILE 11 2.265 7.391 -4.380 62 1HG2 ILE 11 1HG2 ILE 11 4.793 7.450 -7.862 63 2HG2 ILE 11 2HG2 ILE 11 4.994 6.133 -6.727 64 3HG2 ILE 11 3HG2 ILE 11 5.458 7.761 -6.267 65 1HD1 ILE 11 1HD1 ILE 11 3.254 5.293 -3.531 66 2HD1 ILE 11 2HD1 ILE 11 4.284 5.172 -4.943 67 3HD1 ILE 11 3HD1 ILE 11 2.541 5.022 -5.112 68 H LEU 12 H LEU 12 0.980 8.081 -7.687 69 HA LEU 12 HA LEU 12 -1.049 9.049 -5.744 70 1HB LEU 12 2HB LEU 12 -2.432 9.991 -7.570 71 2HB LEU 12 1HB LEU 12 -0.890 10.800 -7.490 72 HG LEU 12 HG LEU 12 -1.346 8.534 -9.493 73 1HD1 LEU 12 1HD1 LEU 12 -3.060 10.313 -9.858 74 2HD1 LEU 12 2HD1 LEU 12 -1.872 10.310 -11.149 75 3HD1 LEU 12 3HD1 LEU 12 -1.794 11.530 -9.888 76 1HD2 LEU 12 1HD2 LEU 12 0.584 10.907 -9.468 77 2HD2 LEU 12 2HD2 LEU 12 0.482 9.680 -10.716 78 3HD2 LEU 12 3HD2 LEU 12 1.050 9.254 -9.124 79 H LYS 13 H LYS 13 -0.245 6.541 -5.820 80 HA LYS 13 HA LYS 13 -2.058 4.902 -7.495 81 1HB LYS 13 2HB LYS 13 0.394 4.350 -6.948 82 2HB LYS 13 1HB LYS 13 -0.103 4.029 -5.317 83 1HG LYS 13 2HG LYS 13 -1.237 2.555 -7.721 84 2HG LYS 13 1HG LYS 13 0.079 1.956 -6.734 85 1HD LYS 13 2HD LYS 13 -1.479 2.050 -4.715 86 2HD LYS 13 1HD LYS 13 -2.787 2.451 -5.817 87 1HE LYS 13 2HE LYS 13 -1.134 -0.080 -6.015 88 2HE LYS 13 1HE LYS 13 -2.758 0.034 -5.351 89 1HZ LYS 13 1HZ LYS 13 -2.998 -0.643 -7.556 90 2HZ LYS 13 2HZ LYS 13 -1.900 0.516 -8.134 91 3HZ LYS 13 3HZ LYS 13 -3.419 1.002 -7.549 92 H LYS 14 H LYS 14 -4.075 4.639 -6.768 93 HA LYS 14 HA LYS 14 -5.331 5.567 -4.586 94 1HB LYS 14 2HB LYS 14 -5.859 2.831 -5.703 95 2HB LYS 14 1HB LYS 14 -6.955 3.790 -4.719 96 1HG LYS 14 2HG LYS 14 -7.028 5.572 -6.364 97 2HG LYS 14 1HG LYS 14 -5.895 4.743 -7.415 98 1HD LYS 14 2HD LYS 14 -8.662 3.752 -6.614 99 2HD LYS 14 1HD LYS 14 -8.254 4.480 -8.155 100 1HE LYS 14 2HE LYS 14 -7.151 1.830 -7.092 101 2HE LYS 14 1HE LYS 14 -8.297 2.034 -8.403 102 1HZ LYS 14 1HZ LYS 14 -6.538 3.413 -9.513 103 2HZ LYS 14 2HZ LYS 14 -6.235 1.746 -9.403 104 3HZ LYS 14 3HZ LYS 14 -5.458 2.823 -8.345 105 H CYS 15 H CYS 15 -5.889 5.111 -2.712 106 HA CYS 15 HA CYS 15 -4.867 2.790 -1.157 107 1HB CYS 15 2HB CYS 15 -3.962 4.288 0.570 108 2HB CYS 15 1HB CYS 15 -3.137 4.447 -0.959 109 H ARG 16 H ARG 16 -6.077 2.200 0.512 110 HA ARG 16 HA ARG 16 -8.738 3.472 0.872 111 1HB ARG 16 2HB ARG 16 -7.597 0.898 2.104 112 2HB ARG 16 1HB ARG 16 -9.280 1.389 2.100 113 1HG ARG 16 2HG ARG 16 -9.367 1.189 -0.358 114 2HG ARG 16 1HG ARG 16 -7.658 0.798 -0.417 115 1HD ARG 16 2HD ARG 16 -8.120 -1.216 1.033 116 2HD ARG 16 1HD ARG 16 -9.842 -0.865 0.902 117 HE ARG 16 HE ARG 16 -9.170 -0.917 -1.706 118 1HH1 ARG 16 1HH1 ARG 16 -8.303 -3.052 0.896 119 2HH1 ARG 16 2HH1 ARG 16 -8.151 -4.425 -0.144 120 1HH2 ARG 16 1HH2 ARG 16 -8.982 -2.649 -3.025 121 2HH2 ARG 16 2HH2 ARG 16 -8.541 -4.199 -2.389 122 H ARG 17 H ARG 17 -6.246 2.047 2.845 123 HA ARG 17 HA ARG 17 -6.521 4.122 4.977 124 1HB ARG 17 2HB ARG 17 -5.452 2.428 6.465 125 2HB ARG 17 1HB ARG 17 -6.907 1.764 5.739 126 1HG ARG 17 2HG ARG 17 -5.537 0.635 4.008 127 2HG ARG 17 1HG ARG 17 -4.064 1.307 4.688 128 1HD ARG 17 2HD ARG 17 -4.545 0.066 6.820 129 2HD ARG 17 1HD ARG 17 -5.932 -0.687 6.034 130 HE ARG 17 HE ARG 17 -3.146 -1.358 5.609 131 1HH1 ARG 17 1HH1 ARG 17 -6.253 -1.194 4.074 132 2HH1 ARG 17 2HH1 ARG 17 -5.856 -2.401 2.898 133 1HH2 ARG 17 1HH2 ARG 17 -2.632 -2.884 4.136 134 2HH2 ARG 17 2HH2 ARG 17 -3.780 -3.375 2.935 135 H ASP 18 H ASP 18 -4.299 4.462 6.102 136 HA ASP 18 HA ASP 18 -2.529 5.723 4.430 137 1HB ASP 18 2HB ASP 18 -2.155 4.455 7.150 138 2HB ASP 18 1HB ASP 18 -0.988 5.526 6.430 139 H SER 19 H SER 19 -2.020 2.570 5.892 140 HA SER 19 HA SER 19 0.372 2.012 4.352 141 1HB SER 19 2HB SER 19 0.274 -0.139 5.556 142 2HB SER 19 1HB SER 19 0.029 1.257 6.636 143 HG SER 19 HG SER 19 -2.031 -0.248 5.394 144 H ASP 20 H ASP 20 -2.548 2.099 3.229 145 HA ASP 20 HA ASP 20 -2.863 -0.469 1.861 146 1HB ASP 20 2HB ASP 20 -4.706 1.347 2.295 147 2HB ASP 20 1HB ASP 20 -4.065 2.116 0.877 148 H CYS 21 H CYS 21 -0.959 2.225 1.498 149 HA CYS 21 HA CYS 21 -0.501 2.082 -1.400 150 1HB CYS 21 2HB CYS 21 -0.508 4.220 -0.268 151 2HB CYS 21 1HB CYS 21 0.814 3.704 0.758 152 HA PRO 22 HA PRO 22 3.125 -0.610 -0.804 153 1HB PRO 22 2HB PRO 22 4.427 0.581 -3.150 154 2HB PRO 22 1HB PRO 22 3.821 -1.053 -2.923 155 1HG PRO 22 2HG PRO 22 2.639 0.837 -4.590 156 2HG PRO 22 1HG PRO 22 1.779 -0.539 -3.911 157 1HD PRO 22 2HD PRO 22 1.741 2.322 -3.061 158 2HD PRO 22 1HD PRO 22 0.426 1.147 -2.970 159 H GLY 23 H GLY 23 5.343 -0.369 -0.205 160 1HA GLY 23 2HA GLY 23 7.231 0.781 0.658 161 2HA GLY 23 1HA GLY 23 6.583 2.264 -0.042 162 H ALA 24 H ALA 24 7.395 3.159 1.910 163 HA ALA 24 HA ALA 24 5.940 2.622 4.419 164 1HB ALA 24 1HB ALA 24 8.091 4.657 3.692 165 2HB ALA 24 2HB ALA 24 8.383 3.081 4.410 166 3HB ALA 24 3HB ALA 24 7.531 4.313 5.324 167 H CYS 25 H CYS 25 4.803 3.715 1.872 168 HA CYS 25 HA CYS 25 4.052 6.433 2.224 169 1HB CYS 25 2HB CYS 25 2.866 4.191 0.659 170 2HB CYS 25 1HB CYS 25 2.253 5.820 0.533 171 H ILE 26 H ILE 26 2.070 7.371 2.448 172 HA ILE 26 HA ILE 26 0.240 6.035 4.367 173 HB ILE 26 HB ILE 26 0.263 9.019 3.962 174 1HG1 ILE 26 2HG1 ILE 26 2.665 8.688 4.098 175 2HG1 ILE 26 1HG1 ILE 26 2.091 9.452 5.558 176 1HG2 ILE 26 1HG2 ILE 26 -0.145 9.102 6.326 177 2HG2 ILE 26 2HG2 ILE 26 0.040 7.348 6.429 178 3HG2 ILE 26 3HG2 ILE 26 -1.283 8.056 5.511 179 1HD1 ILE 26 1HD1 ILE 26 3.751 7.714 6.079 180 2HD1 ILE 26 2HD1 ILE 26 2.818 6.494 5.252 181 3HD1 ILE 26 3HD1 ILE 26 2.205 7.208 6.726 182 H CYS 27 H CYS 27 -1.940 7.526 4.037 183 HA CYS 27 HA CYS 27 -2.536 7.460 1.105 184 1HB CYS 27 2HB CYS 27 -3.644 5.755 2.533 185 2HB CYS 27 1HB CYS 27 -4.431 7.020 3.444 186 H ARG 28 H ARG 28 -2.451 9.462 0.455 187 HA ARG 28 HA ARG 28 -2.739 11.792 2.050 188 1HB ARG 28 2HB ARG 28 -3.262 11.494 -0.902 189 2HB ARG 28 1HB ARG 28 -3.034 13.027 -0.094 190 1HG ARG 28 2HG ARG 28 -0.754 12.294 0.629 191 2HG ARG 28 1HG ARG 28 -0.975 10.798 -0.259 192 1HD ARG 28 2HD ARG 28 -1.128 13.570 -1.527 193 2HD ARG 28 1HD ARG 28 0.304 12.553 -1.562 194 HE ARG 28 HE ARG 28 -2.001 11.118 -2.547 195 1HH1 ARG 28 1HH1 ARG 28 0.348 13.537 -3.355 196 2HH1 ARG 28 2HH1 ARG 28 0.251 13.226 -5.055 197 1HH2 ARG 28 1HH2 ARG 28 -2.133 10.710 -4.702 198 2HH2 ARG 28 2HH2 ARG 28 -1.176 11.614 -5.826 199 H GLY 29 H GLY 29 -4.362 13.503 1.606 200 1HA GLY 29 2HA GLY 29 -6.968 12.675 2.486 201 2HA GLY 29 1HA GLY 29 -6.529 14.304 1.987 202 H ASN 30 H ASN 30 -5.595 12.927 -0.612 203 HA ASN 30 HA ASN 30 -8.117 13.340 -2.057 204 1HB ASN 30 2HB ASN 30 -6.582 12.964 -4.087 205 2HB ASN 30 1HB ASN 30 -6.179 14.325 -3.058 206 1HD2 ASN 30 1HD2 ASN 30 -3.979 14.462 -2.878 207 2HD2 ASN 30 2HD2 ASN 30 -2.919 13.154 -2.682 208 H GLY 31 H GLY 31 -6.670 10.704 -0.626 209 1HA GLY 31 2HA GLY 31 -7.551 8.505 -0.544 210 2HA GLY 31 1HA GLY 31 -8.487 8.827 -1.993 211 H TYR 32 H TYR 32 -5.144 9.611 -1.988 212 HA TYR 32 HA TYR 32 -4.408 7.088 -3.409 213 1HB TYR 32 2HB TYR 32 -3.666 9.882 -4.345 214 2HB TYR 32 1HB TYR 32 -3.152 8.388 -5.087 215 HD1 TYR 32 HD1 TYR 32 -6.063 10.599 -4.523 216 HD2 TYR 32 HD2 TYR 32 -4.638 7.136 -6.544 217 HE1 TYR 32 HE1 TYR 32 -8.051 10.611 -5.941 218 HE2 TYR 32 HE2 TYR 32 -6.628 7.156 -7.967 219 HH TYR 32 HH TYR 32 -8.307 8.974 -8.761 220 H CYS 33 H CYS 33 -2.226 6.697 -3.447 221 HA CYS 33 HA CYS 33 -0.825 6.790 -1.074 222 1HB CYS 33 2HB CYS 33 0.154 6.607 -3.908 223 2HB CYS 33 1HB CYS 33 1.304 6.584 -2.610 224 H GLY 34 H GLY 34 0.892 7.853 -0.160 225 1HA GLY 34 2HA GLY 34 2.594 9.755 -0.865 226 2HA GLY 34 1HA GLY 34 1.131 10.713 -0.917 Start of MODEL 16 1 H SER 1 H SER 1 0.698 12.435 1.904 2 HA SER 1 HA SER 1 0.032 13.108 3.989 3 1HB SER 1 2HB SER 1 -1.698 11.250 3.816 4 2HB SER 1 1HB SER 1 -0.559 10.155 4.580 5 HG SER 1 HG SER 1 -1.358 12.644 5.653 6 H GLY 2 H GLY 2 2.600 11.165 3.501 7 1HA GLY 2 2HA GLY 2 3.596 10.948 6.250 8 2HA GLY 2 1HA GLY 2 4.472 10.517 4.783 9 H SER 3 H SER 3 3.110 13.432 6.261 10 HA SER 3 HA SER 3 5.344 15.085 5.264 11 1HB SER 3 2HB SER 3 2.824 15.832 6.838 12 2HB SER 3 1HB SER 3 3.963 16.983 6.116 13 HG SER 3 HG SER 3 2.534 14.933 4.772 14 H ASP 4 H ASP 4 7.019 15.622 6.454 15 HA ASP 4 HA ASP 4 8.537 15.740 8.204 16 1HB ASP 4 2HB ASP 4 6.871 17.527 8.859 17 2HB ASP 4 1HB ASP 4 6.003 16.352 9.824 18 H GLY 5 H GLY 5 7.093 13.179 7.651 19 1HA GLY 5 2HA GLY 5 8.366 11.490 9.538 20 2HA GLY 5 1HA GLY 5 6.676 11.666 10.027 21 H GLY 6 H GLY 6 8.699 9.777 8.304 22 1HA GLY 6 2HA GLY 6 8.234 7.894 6.971 23 2HA GLY 6 1HA GLY 6 6.533 8.363 6.937 24 H VAL 7 H VAL 7 9.208 8.020 5.064 25 HA VAL 7 HA VAL 7 8.704 10.292 3.235 26 HB VAL 7 HB VAL 7 10.678 7.965 2.978 27 1HG1 VAL 7 1HG1 VAL 7 10.221 9.162 0.826 28 2HG1 VAL 7 2HG1 VAL 7 11.851 9.476 1.385 29 3HG1 VAL 7 3HG1 VAL 7 10.599 10.690 1.598 30 1HG2 VAL 7 1HG2 VAL 7 11.124 9.300 5.035 31 2HG2 VAL 7 2HG2 VAL 7 11.124 10.777 4.083 32 3HG2 VAL 7 3HG2 VAL 7 12.376 9.569 3.838 33 H CYS 8 H CYS 8 7.834 10.070 1.216 34 HA CYS 8 HA CYS 8 6.855 7.395 0.346 35 1HB CYS 8 2HB CYS 8 5.061 8.424 1.646 36 2HB CYS 8 1HB CYS 8 5.131 9.859 0.660 37 HA PRO 9 HA PRO 9 8.227 9.657 -3.395 38 1HB PRO 9 2HB PRO 9 9.917 7.566 -4.280 39 2HB PRO 9 1HB PRO 9 10.437 9.035 -3.466 40 1HG PRO 9 2HG PRO 9 10.469 6.349 -2.394 41 2HG PRO 9 1HG PRO 9 11.003 7.827 -1.616 42 1HD PRO 9 2HD PRO 9 8.463 6.357 -1.190 43 2HD PRO 9 1HD PRO 9 9.212 7.601 -0.184 44 H LYS 10 H LYS 10 5.993 7.941 -2.809 45 HA LYS 10 HA LYS 10 5.659 6.213 -5.179 46 1HB LYS 10 2HB LYS 10 3.992 6.821 -2.740 47 2HB LYS 10 1HB LYS 10 3.244 6.060 -4.120 48 1HG LYS 10 2HG LYS 10 4.006 4.409 -2.430 49 2HG LYS 10 1HG LYS 10 4.713 4.146 -3.999 50 1HD LYS 10 2HD LYS 10 6.310 5.813 -2.062 51 2HD LYS 10 1HD LYS 10 6.154 4.112 -1.702 52 1HE LYS 10 2HE LYS 10 7.042 3.504 -3.917 53 2HE LYS 10 1HE LYS 10 7.204 5.191 -4.360 54 1HZ LYS 10 1HZ LYS 10 8.448 4.445 -1.866 55 2HZ LYS 10 2HZ LYS 10 8.998 5.453 -3.119 56 3HZ LYS 10 3HZ LYS 10 9.130 3.766 -3.265 57 H ILE 11 H ILE 11 4.178 6.406 -6.668 58 HA ILE 11 HA ILE 11 3.484 9.142 -7.582 59 HB ILE 11 HB ILE 11 3.190 8.149 -9.729 60 1HG1 ILE 11 2HG1 ILE 11 1.854 6.136 -9.199 61 2HG1 ILE 11 1HG1 ILE 11 3.205 5.740 -10.224 62 1HG2 ILE 11 1HG2 ILE 11 5.505 6.794 -8.302 63 2HG2 ILE 11 2HG2 ILE 11 5.499 8.402 -8.997 64 3HG2 ILE 11 3HG2 ILE 11 5.363 6.992 -10.041 65 1HD1 ILE 11 1HD1 ILE 11 4.456 4.873 -8.224 66 2HD1 ILE 11 2HD1 ILE 11 2.956 4.025 -8.510 67 3HD1 ILE 11 3HD1 ILE 11 3.042 5.208 -7.229 68 H LEU 12 H LEU 12 1.458 8.847 -9.022 69 HA LEU 12 HA LEU 12 -0.796 9.095 -7.293 70 1HB LEU 12 2HB LEU 12 -0.683 8.788 -10.320 71 2HB LEU 12 1HB LEU 12 -2.104 9.309 -9.439 72 HG LEU 12 HG LEU 12 0.576 10.783 -9.388 73 1HD1 LEU 12 1HD1 LEU 12 -2.002 11.424 -10.892 74 2HD1 LEU 12 2HD1 LEU 12 -0.503 10.876 -11.627 75 3HD1 LEU 12 3HD1 LEU 12 -0.572 12.443 -10.841 76 1HD2 LEU 12 1HD2 LEU 12 -0.829 11.180 -7.346 77 2HD2 LEU 12 2HD2 LEU 12 -2.189 11.605 -8.371 78 3HD2 LEU 12 3HD2 LEU 12 -0.753 12.613 -8.346 79 H LYS 13 H LYS 13 -0.477 7.018 -6.266 80 HA LYS 13 HA LYS 13 -2.054 4.796 -7.495 81 1HB LYS 13 2HB LYS 13 0.125 4.846 -5.353 82 2HB LYS 13 1HB LYS 13 -0.897 3.443 -5.582 83 1HG LYS 13 2HG LYS 13 0.703 4.682 -7.843 84 2HG LYS 13 1HG LYS 13 1.374 3.445 -6.793 85 1HD LYS 13 2HD LYS 13 -0.411 1.879 -7.409 86 2HD LYS 13 1HD LYS 13 -1.206 3.091 -8.393 87 1HE LYS 13 2HE LYS 13 1.598 2.007 -8.905 88 2HE LYS 13 1HE LYS 13 0.154 1.534 -9.786 89 1HZ LYS 13 1HZ LYS 13 1.249 3.173 -11.043 90 2HZ LYS 13 2HZ LYS 13 1.413 4.208 -9.706 91 3HZ LYS 13 3HZ LYS 13 -0.122 3.917 -10.369 92 H LYS 14 H LYS 14 -4.085 4.704 -6.701 93 HA LYS 14 HA LYS 14 -4.971 6.361 -4.573 94 1HB LYS 14 2HB LYS 14 -6.278 3.852 -5.650 95 2HB LYS 14 1HB LYS 14 -7.029 5.043 -4.600 96 1HG LYS 14 2HG LYS 14 -6.543 6.811 -6.299 97 2HG LYS 14 1HG LYS 14 -5.925 5.592 -7.395 98 1HD LYS 14 2HD LYS 14 -8.206 6.065 -8.041 99 2HD LYS 14 1HD LYS 14 -8.198 4.472 -7.310 100 1HE LYS 14 2HE LYS 14 -10.105 5.872 -6.492 101 2HE LYS 14 1HE LYS 14 -9.042 5.438 -5.167 102 1HZ LYS 14 1HZ LYS 14 -9.769 7.824 -5.315 103 2HZ LYS 14 2HZ LYS 14 -8.744 7.969 -6.663 104 3HZ LYS 14 3HZ LYS 14 -8.098 7.561 -5.147 105 H CYS 15 H CYS 15 -5.682 5.874 -2.568 106 HA CYS 15 HA CYS 15 -4.623 3.392 -1.287 107 1HB CYS 15 2HB CYS 15 -3.874 4.711 0.613 108 2HB CYS 15 1HB CYS 15 -3.070 5.153 -0.862 109 H ARG 16 H ARG 16 -6.078 2.302 -0.302 110 HA ARG 16 HA ARG 16 -8.745 3.285 0.307 111 1HB ARG 16 2HB ARG 16 -8.285 0.907 -0.357 112 2HB ARG 16 1HB ARG 16 -7.312 0.699 1.086 113 1HG ARG 16 2HG ARG 16 -9.344 1.190 2.495 114 2HG ARG 16 1HG ARG 16 -10.301 1.284 1.025 115 1HD ARG 16 2HD ARG 16 -9.692 -1.070 0.479 116 2HD ARG 16 1HD ARG 16 -8.704 -1.149 1.939 117 HE ARG 16 HE ARG 16 -11.394 -0.329 2.571 118 1HH1 ARG 16 1HH1 ARG 16 -9.444 -3.061 1.709 119 2HH1 ARG 16 2HH1 ARG 16 -10.481 -4.196 2.503 120 1HH2 ARG 16 1HH2 ARG 16 -12.723 -1.749 3.583 121 2HH2 ARG 16 2HH2 ARG 16 -12.366 -3.445 3.580 122 H ARG 17 H ARG 17 -5.923 2.269 2.021 123 HA ARG 17 HA ARG 17 -6.558 3.917 4.405 124 1HB ARG 17 2HB ARG 17 -5.689 2.022 5.816 125 2HB ARG 17 1HB ARG 17 -7.173 1.605 4.981 126 1HG ARG 17 2HG ARG 17 -5.723 0.505 3.180 127 2HG ARG 17 1HG ARG 17 -4.323 0.791 4.204 128 1HD ARG 17 2HD ARG 17 -5.139 -1.482 4.570 129 2HD ARG 17 1HD ARG 17 -5.539 -0.553 6.015 130 HE ARG 17 HE ARG 17 -7.756 -0.247 4.373 131 1HH1 ARG 17 1HH1 ARG 17 -5.998 -2.930 5.687 132 2HH1 ARG 17 2HH1 ARG 17 -7.389 -3.960 5.734 133 1HH2 ARG 17 1HH2 ARG 17 -9.522 -1.525 4.425 134 2HH2 ARG 17 2HH2 ARG 17 -9.419 -3.153 5.010 135 H ASP 18 H ASP 18 -4.478 4.037 5.785 136 HA ASP 18 HA ASP 18 -2.510 5.407 4.493 137 1HB ASP 18 2HB ASP 18 -2.448 3.797 7.039 138 2HB ASP 18 1HB ASP 18 -1.219 4.953 6.588 139 H SER 19 H SER 19 -2.217 2.030 5.447 140 HA SER 19 HA SER 19 0.363 1.748 4.105 141 1HB SER 19 2HB SER 19 0.232 -0.548 4.977 142 2HB SER 19 1HB SER 19 -0.182 0.658 6.221 143 HG SER 19 HG SER 19 -2.397 0.355 5.563 144 H ASP 20 H ASP 20 -2.496 1.948 2.801 145 HA ASP 20 HA ASP 20 -2.611 -0.360 1.011 146 1HB ASP 20 2HB ASP 20 -4.559 1.158 1.671 147 2HB ASP 20 1HB ASP 20 -3.917 2.326 0.540 148 H CYS 21 H CYS 21 -0.883 2.486 1.181 149 HA CYS 21 HA CYS 21 -0.230 2.787 -1.684 150 1HB CYS 21 2HB CYS 21 -0.468 4.752 -0.296 151 2HB CYS 21 1HB CYS 21 0.794 4.184 0.777 152 HA PRO 22 HA PRO 22 3.467 0.188 -1.173 153 1HB PRO 22 2HB PRO 22 4.921 1.707 -3.212 154 2HB PRO 22 1HB PRO 22 4.299 0.066 -3.294 155 1HG PRO 22 2HG PRO 22 3.254 2.228 -4.712 156 2HG PRO 22 1HG PRO 22 2.384 0.734 -4.386 157 1HD PRO 22 2HD PRO 22 2.119 3.392 -3.084 158 2HD PRO 22 1HD PRO 22 0.883 2.149 -3.277 159 H GLY 23 H GLY 23 5.844 0.494 -0.690 160 1HA GLY 23 2HA GLY 23 7.565 1.512 0.565 161 2HA GLY 23 1HA GLY 23 6.913 3.056 0.035 162 H ALA 24 H ALA 24 7.655 3.658 2.116 163 HA ALA 24 HA ALA 24 6.194 2.782 4.499 164 1HB ALA 24 1HB ALA 24 7.622 4.493 5.619 165 2HB ALA 24 2HB ALA 24 8.174 5.049 4.042 166 3HB ALA 24 3HB ALA 24 8.579 3.432 4.596 167 H CYS 25 H CYS 25 5.062 4.244 2.042 168 HA CYS 25 HA CYS 25 4.077 6.791 2.746 169 1HB CYS 25 2HB CYS 25 2.866 4.672 1.014 170 2HB CYS 25 1HB CYS 25 2.298 6.313 1.050 171 H ILE 26 H ILE 26 1.986 7.510 3.121 172 HA ILE 26 HA ILE 26 0.274 5.749 4.823 173 HB ILE 26 HB ILE 26 -0.195 8.488 5.509 174 1HG1 ILE 26 2HG1 ILE 26 2.117 9.055 4.485 175 2HG1 ILE 26 1HG1 ILE 26 1.818 9.552 6.124 176 1HG2 ILE 26 1HG2 ILE 26 1.368 6.433 7.032 177 2HG2 ILE 26 2HG2 ILE 26 -0.364 6.715 7.081 178 3HG2 ILE 26 3HG2 ILE 26 0.731 7.936 7.694 179 1HD1 ILE 26 1HD1 ILE 26 3.190 7.611 6.931 180 2HD1 ILE 26 2HD1 ILE 26 4.105 8.587 5.808 181 3HD1 ILE 26 3HD1 ILE 26 3.418 7.076 5.279 182 H CYS 27 H CYS 27 -1.950 7.441 4.740 183 HA CYS 27 HA CYS 27 -2.409 7.712 1.781 184 1HB CYS 27 2HB CYS 27 -3.544 5.839 2.765 185 2HB CYS 27 1HB CYS 27 -4.360 6.867 3.915 186 H ARG 28 H ARG 28 -2.897 9.538 1.021 187 HA ARG 28 HA ARG 28 -3.285 11.896 2.624 188 1HB ARG 28 2HB ARG 28 -3.899 11.454 -0.308 189 2HB ARG 28 1HB ARG 28 -3.887 13.018 0.444 190 1HG ARG 28 2HG ARG 28 -1.393 11.352 0.653 191 2HG ARG 28 1HG ARG 28 -1.745 12.150 -0.866 192 1HD ARG 28 2HD ARG 28 -0.334 13.604 0.590 193 2HD ARG 28 1HD ARG 28 -1.908 14.333 0.284 194 HE ARG 28 HE ARG 28 -1.596 12.705 2.738 195 1HH1 ARG 28 1HH1 ARG 28 -1.857 15.855 1.286 196 2HH1 ARG 28 2HH1 ARG 28 -2.239 16.619 2.790 197 1HH2 ARG 28 1HH2 ARG 28 -2.070 13.658 4.622 198 2HH2 ARG 28 2HH2 ARG 28 -2.361 15.365 4.705 199 H GLY 29 H GLY 29 -5.164 13.383 2.164 200 1HA GLY 29 2HA GLY 29 -7.642 12.046 2.987 201 2HA GLY 29 1HA GLY 29 -7.393 13.784 2.839 202 H ASN 30 H ASN 30 -6.224 12.985 0.066 203 HA ASN 30 HA ASN 30 -8.710 13.452 -1.419 204 1HB ASN 30 2HB ASN 30 -7.077 13.611 -3.388 205 2HB ASN 30 1HB ASN 30 -6.800 14.755 -2.090 206 1HD2 ASN 30 1HD2 ASN 30 -5.823 11.332 -2.636 207 2HD2 ASN 30 2HD2 ASN 30 -4.184 11.608 -2.289 208 H GLY 31 H GLY 31 -7.105 10.718 -0.407 209 1HA GLY 31 2HA GLY 31 -7.881 8.496 -0.792 210 2HA GLY 31 1HA GLY 31 -8.626 9.013 -2.292 211 H TYR 32 H TYR 32 -5.353 9.902 -1.623 212 HA TYR 32 HA TYR 32 -4.263 7.675 -3.262 213 1HB TYR 32 2HB TYR 32 -3.741 10.632 -3.851 214 2HB TYR 32 1HB TYR 32 -2.826 9.320 -4.534 215 HD1 TYR 32 HD1 TYR 32 -3.481 8.360 -6.545 216 HD2 TYR 32 HD2 TYR 32 -6.377 10.538 -4.299 217 HE1 TYR 32 HE1 TYR 32 -5.078 8.135 -8.381 218 HE2 TYR 32 HE2 TYR 32 -7.970 10.305 -6.136 219 HH TYR 32 HH TYR 32 -8.123 8.346 -8.195 220 H CYS 33 H CYS 33 -2.059 7.507 -3.216 221 HA CYS 33 HA CYS 33 -0.876 7.293 -0.738 222 1HB CYS 33 2HB CYS 33 0.294 7.663 -3.482 223 2HB CYS 33 1HB CYS 33 1.383 7.545 -2.141 224 H GLY 34 H GLY 34 0.629 8.302 0.481 225 1HA GLY 34 2HA GLY 34 2.236 10.326 0.512 226 2HA GLY 34 1HA GLY 34 0.808 11.277 0.139 Start of MODEL 17 1 H SER 1 H SER 1 1.106 12.130 0.793 2 HA SER 1 HA SER 1 0.405 13.161 2.740 3 1HB SER 1 2HB SER 1 -1.060 11.124 3.140 4 2HB SER 1 1HB SER 1 0.274 10.338 3.981 5 HG SER 1 HG SER 1 -0.849 12.855 4.608 6 H GLY 2 H GLY 2 1.628 11.103 4.985 7 1HA GLY 2 2HA GLY 2 3.866 10.827 5.908 8 2HA GLY 2 1HA GLY 2 4.404 12.204 4.955 9 H SER 3 H SER 3 2.994 11.141 7.880 10 HA SER 3 HA SER 3 2.375 13.858 8.892 11 1HB SER 3 2HB SER 3 2.108 11.077 10.171 12 2HB SER 3 1HB SER 3 1.489 12.585 10.871 13 HG SER 3 HG SER 3 0.335 12.889 8.898 14 H ASP 4 H ASP 4 3.484 11.963 11.373 15 HA ASP 4 HA ASP 4 5.716 13.631 11.996 16 1HB ASP 4 2HB ASP 4 5.093 10.807 12.983 17 2HB ASP 4 1HB ASP 4 6.196 11.932 13.760 18 H GLY 5 H GLY 5 5.364 10.933 9.969 19 1HA GLY 5 2HA GLY 5 8.136 11.070 9.026 20 2HA GLY 5 1HA GLY 5 7.676 9.530 9.767 21 H GLY 6 H GLY 6 8.347 10.146 6.967 22 1HA GLY 6 2HA GLY 6 6.488 8.501 5.626 23 2HA GLY 6 1HA GLY 6 5.997 10.168 5.326 24 H VAL 7 H VAL 7 8.415 7.760 4.808 25 HA VAL 7 HA VAL 7 10.020 9.498 3.002 26 HB VAL 7 HB VAL 7 10.419 6.589 3.773 27 1HG1 VAL 7 1HG1 VAL 7 12.822 7.033 3.184 28 2HG1 VAL 7 2HG1 VAL 7 12.400 8.676 2.735 29 3HG1 VAL 7 3HG1 VAL 7 11.786 7.322 1.804 30 1HG2 VAL 7 1HG2 VAL 7 12.037 7.407 5.511 31 2HG2 VAL 7 2HG2 VAL 7 10.409 7.963 5.846 32 3HG2 VAL 7 3HG2 VAL 7 11.583 9.063 5.140 33 H CYS 8 H CYS 8 7.547 9.214 2.195 34 HA CYS 8 HA CYS 8 7.229 7.000 0.292 35 1HB CYS 8 2HB CYS 8 5.352 7.850 1.645 36 2HB CYS 8 1HB CYS 8 5.448 9.370 0.811 37 HA PRO 9 HA PRO 9 8.318 9.708 -3.236 38 1HB PRO 9 2HB PRO 9 7.489 7.894 -5.199 39 2HB PRO 9 1HB PRO 9 9.111 7.999 -4.532 40 1HG PRO 9 2HG PRO 9 7.072 5.935 -4.074 41 2HG PRO 9 1HG PRO 9 8.790 5.888 -3.711 42 1HD PRO 9 2HD PRO 9 6.612 6.313 -1.854 43 2HD PRO 9 1HD PRO 9 8.349 6.297 -1.489 44 H LYS 10 H LYS 10 7.030 10.785 -4.846 45 HA LYS 10 HA LYS 10 4.246 11.150 -4.012 46 1HB LYS 10 2HB LYS 10 5.852 12.411 -6.275 47 2HB LYS 10 1HB LYS 10 4.277 12.969 -5.730 48 1HG LYS 10 2HG LYS 10 5.237 13.360 -3.437 49 2HG LYS 10 1HG LYS 10 6.813 12.877 -4.026 50 1HD LYS 10 2HD LYS 10 5.211 15.229 -5.124 51 2HD LYS 10 1HD LYS 10 6.519 15.368 -3.967 52 1HE LYS 10 2HE LYS 10 8.091 14.353 -5.634 53 2HE LYS 10 1HE LYS 10 6.783 14.275 -6.807 54 1HZ LYS 10 1HZ LYS 10 6.546 16.655 -6.675 55 2HZ LYS 10 2HZ LYS 10 8.127 16.224 -7.124 56 3HZ LYS 10 3HZ LYS 10 7.805 16.741 -5.539 57 H ILE 11 H ILE 11 3.494 9.053 -4.498 58 HA ILE 11 HA ILE 11 3.221 8.330 -7.376 59 HB ILE 11 HB ILE 11 2.577 6.695 -4.884 60 1HG1 ILE 11 2HG1 ILE 11 4.963 7.167 -4.909 61 2HG1 ILE 11 1HG1 ILE 11 4.689 5.488 -5.329 62 1HG2 ILE 11 1HG2 ILE 11 1.389 5.857 -6.881 63 2HG2 ILE 11 2HG2 ILE 11 2.659 4.747 -6.425 64 3HG2 ILE 11 3HG2 ILE 11 2.882 5.824 -7.794 65 1HD1 ILE 11 1HD1 ILE 11 6.426 6.477 -6.780 66 2HD1 ILE 11 2HD1 ILE 11 5.312 7.714 -7.325 67 3HD1 ILE 11 3HD1 ILE 11 5.033 6.030 -7.743 68 H LEU 12 H LEU 12 1.260 7.598 -8.129 69 HA LEU 12 HA LEU 12 -1.141 8.964 -6.954 70 1HB LEU 12 2HB LEU 12 -0.552 8.287 -9.874 71 2HB LEU 12 1HB LEU 12 -1.971 9.142 -9.302 72 HG LEU 12 HG LEU 12 0.899 10.157 -9.017 73 1HD1 LEU 12 1HD1 LEU 12 -1.347 11.038 -10.882 74 2HD1 LEU 12 2HD1 LEU 12 0.101 10.171 -11.367 75 3HD1 LEU 12 3HD1 LEU 12 0.226 11.808 -10.748 76 1HD2 LEU 12 1HD2 LEU 12 -1.765 11.534 -8.419 77 2HD2 LEU 12 2HD2 LEU 12 -0.180 12.287 -8.316 78 3HD2 LEU 12 3HD2 LEU 12 -0.609 11.000 -7.209 79 H LYS 13 H LYS 13 -0.282 6.421 -6.202 80 HA LYS 13 HA LYS 13 -2.147 4.488 -7.440 81 1HB LYS 13 2HB LYS 13 0.064 4.323 -5.367 82 2HB LYS 13 1HB LYS 13 -1.080 3.008 -5.490 83 1HG LYS 13 2HG LYS 13 0.267 3.948 -8.022 84 2HG LYS 13 1HG LYS 13 1.226 3.047 -6.869 85 1HD LYS 13 2HD LYS 13 0.269 1.480 -8.468 86 2HD LYS 13 1HD LYS 13 -0.442 1.207 -6.894 87 1HE LYS 13 2HE LYS 13 -2.492 2.389 -7.546 88 2HE LYS 13 1HE LYS 13 -1.786 2.829 -9.101 89 1HZ LYS 13 1HZ LYS 13 -2.303 0.078 -8.130 90 2HZ LYS 13 2HZ LYS 13 -1.625 0.487 -9.633 91 3HZ LYS 13 3HZ LYS 13 -3.228 0.924 -9.277 92 H LYS 14 H LYS 14 -4.185 4.298 -6.663 93 HA LYS 14 HA LYS 14 -5.234 5.841 -4.595 94 1HB LYS 14 2HB LYS 14 -6.167 3.105 -5.476 95 2HB LYS 14 1HB LYS 14 -7.052 4.176 -4.417 96 1HG LYS 14 2HG LYS 14 -6.260 5.057 -7.207 97 2HG LYS 14 1HG LYS 14 -7.762 4.211 -6.885 98 1HD LYS 14 2HD LYS 14 -8.275 6.001 -5.119 99 2HD LYS 14 1HD LYS 14 -6.884 6.885 -5.715 100 1HE LYS 14 2HE LYS 14 -7.910 6.949 -7.992 101 2HE LYS 14 1HE LYS 14 -9.302 6.074 -7.374 102 1HZ LYS 14 1HZ LYS 14 -9.371 8.618 -7.494 103 2HZ LYS 14 2HZ LYS 14 -8.451 8.560 -6.068 104 3HZ LYS 14 3HZ LYS 14 -9.987 7.836 -6.118 105 H CYS 15 H CYS 15 -5.756 5.546 -2.609 106 HA CYS 15 HA CYS 15 -4.634 3.249 -1.055 107 1HB CYS 15 2HB CYS 15 -3.801 4.756 0.640 108 2HB CYS 15 1HB CYS 15 -3.082 5.111 -0.901 109 H ARG 16 H ARG 16 -6.206 2.292 -0.071 110 HA ARG 16 HA ARG 16 -8.803 3.515 0.464 111 1HB ARG 16 2HB ARG 16 -7.684 0.823 1.381 112 2HB ARG 16 1HB ARG 16 -9.376 1.284 1.371 113 1HG ARG 16 2HG ARG 16 -9.334 1.493 -1.096 114 2HG ARG 16 1HG ARG 16 -7.624 1.105 -1.122 115 1HD ARG 16 2HD ARG 16 -8.142 -1.143 -0.102 116 2HD ARG 16 1HD ARG 16 -9.852 -0.736 -0.153 117 HE ARG 16 HE ARG 16 -9.853 -1.136 -2.458 118 1HH1 ARG 16 1HH1 ARG 16 -6.605 -0.788 -1.300 119 2HH1 ARG 16 2HH1 ARG 16 -5.896 -1.269 -2.803 120 1HH2 ARG 16 1HH2 ARG 16 -8.978 -1.744 -4.369 121 2HH2 ARG 16 2HH2 ARG 16 -7.258 -1.817 -4.568 122 H ARG 17 H ARG 17 -6.030 2.449 2.185 123 HA ARG 17 HA ARG 17 -6.642 4.090 4.578 124 1HB ARG 17 2HB ARG 17 -5.707 2.130 5.964 125 2HB ARG 17 1HB ARG 17 -7.292 1.844 5.270 126 1HG ARG 17 2HG ARG 17 -6.228 0.613 3.370 127 2HG ARG 17 1HG ARG 17 -4.651 0.916 4.090 128 1HD ARG 17 2HD ARG 17 -5.121 -0.529 5.953 129 2HD ARG 17 1HD ARG 17 -6.838 -0.587 5.566 130 HE ARG 17 HE ARG 17 -6.374 -2.275 4.031 131 1HH1 ARG 17 1HH1 ARG 17 -3.477 -0.458 4.629 132 2HH1 ARG 17 2HH1 ARG 17 -2.503 -1.492 3.642 133 1HH2 ARG 17 1HH2 ARG 17 -5.153 -3.586 2.789 134 2HH2 ARG 17 2HH2 ARG 17 -3.458 -3.285 2.590 135 H ASP 18 H ASP 18 -4.555 4.224 5.933 136 HA ASP 18 HA ASP 18 -2.562 5.502 4.571 137 1HB ASP 18 2HB ASP 18 -2.546 4.016 7.193 138 2HB ASP 18 1HB ASP 18 -1.276 5.106 6.696 139 H SER 19 H SER 19 -2.231 2.191 5.771 140 HA SER 19 HA SER 19 0.274 1.820 4.301 141 1HB SER 19 2HB SER 19 0.222 -0.402 5.381 142 2HB SER 19 1HB SER 19 -0.062 0.928 6.534 143 HG SER 19 HG SER 19 -1.833 -0.959 5.498 144 H ASP 20 H ASP 20 -2.472 2.030 3.054 145 HA ASP 20 HA ASP 20 -2.857 -0.470 1.551 146 1HB ASP 20 2HB ASP 20 -4.673 1.278 2.083 147 2HB ASP 20 1HB ASP 20 -3.978 2.236 0.804 148 H CYS 21 H CYS 21 -0.920 2.232 1.393 149 HA CYS 21 HA CYS 21 -0.348 2.213 -1.496 150 1HB CYS 21 2HB CYS 21 -0.423 4.303 -0.236 151 2HB CYS 21 1HB CYS 21 0.900 3.750 0.771 152 HA PRO 22 HA PRO 22 3.283 -0.460 -0.828 153 1HB PRO 22 2HB PRO 22 4.678 0.760 -3.092 154 2HB PRO 22 1HB PRO 22 4.015 -0.862 -2.945 155 1HG PRO 22 2HG PRO 22 2.960 1.133 -4.583 156 2HG PRO 22 1HG PRO 22 2.052 -0.264 -4.020 157 1HD PRO 22 2HD PRO 22 1.993 2.550 -3.036 158 2HD PRO 22 1HD PRO 22 0.669 1.380 -3.059 159 H GLY 23 H GLY 23 5.528 -0.211 -0.223 160 1HA GLY 23 2HA GLY 23 7.371 0.927 0.733 161 2HA GLY 23 1HA GLY 23 6.725 2.426 0.073 162 H ALA 24 H ALA 24 7.541 3.198 2.091 163 HA ALA 24 HA ALA 24 6.073 2.582 4.559 164 1HB ALA 24 1HB ALA 24 8.159 4.699 3.896 165 2HB ALA 24 2HB ALA 24 8.492 3.116 4.581 166 3HB ALA 24 3HB ALA 24 7.600 4.308 5.519 167 H CYS 25 H CYS 25 5.001 3.882 1.990 168 HA CYS 25 HA CYS 25 4.142 6.523 2.522 169 1HB CYS 25 2HB CYS 25 2.935 4.365 0.836 170 2HB CYS 25 1HB CYS 25 2.406 6.022 0.769 171 H ILE 26 H ILE 26 2.218 7.428 2.947 172 HA ILE 26 HA ILE 26 0.350 5.827 4.645 173 HB ILE 26 HB ILE 26 -0.007 8.642 5.154 174 1HG1 ILE 26 2HG1 ILE 26 2.322 9.121 4.294 175 2HG1 ILE 26 1HG1 ILE 26 2.054 9.517 5.965 176 1HG2 ILE 26 1HG2 ILE 26 0.724 8.083 7.441 177 2HG2 ILE 26 2HG2 ILE 26 1.295 6.523 6.862 178 3HG2 ILE 26 3HG2 ILE 26 -0.408 6.928 6.775 179 1HD1 ILE 26 1HD1 ILE 26 4.256 8.466 5.614 180 2HD1 ILE 26 2HD1 ILE 26 3.510 7.013 5.005 181 3HD1 ILE 26 3HD1 ILE 26 3.275 7.482 6.676 182 H CYS 27 H CYS 27 -1.869 7.354 4.518 183 HA CYS 27 HA CYS 27 -2.362 7.579 1.572 184 1HB CYS 27 2HB CYS 27 -3.575 5.862 2.756 185 2HB CYS 27 1HB CYS 27 -4.298 7.042 3.815 186 H ARG 28 H ARG 28 -2.671 9.438 0.726 187 HA ARG 28 HA ARG 28 -2.973 11.865 2.302 188 1HB ARG 28 2HB ARG 28 -3.347 11.438 -0.658 189 2HB ARG 28 1HB ARG 28 -3.299 13.008 0.101 190 1HG ARG 28 2HG ARG 28 -1.037 12.526 0.982 191 2HG ARG 28 1HG ARG 28 -1.030 10.987 0.133 192 1HD ARG 28 2HD ARG 28 -1.364 13.692 -1.239 193 2HD ARG 28 1HD ARG 28 0.165 12.833 -1.104 194 HE ARG 28 HE ARG 28 -1.796 11.087 -2.244 195 1HH1 ARG 28 1HH1 ARG 28 0.104 13.901 -2.932 196 2HH1 ARG 28 2HH1 ARG 28 0.175 13.582 -4.633 197 1HH2 ARG 28 1HH2 ARG 28 -1.704 10.659 -4.408 198 2HH2 ARG 28 2HH2 ARG 28 -0.873 11.734 -5.479 199 H GLY 29 H GLY 29 -4.671 13.444 1.755 200 1HA GLY 29 2HA GLY 29 -7.281 12.391 2.481 201 2HA GLY 29 1HA GLY 29 -6.896 14.082 2.168 202 H ASN 30 H ASN 30 -5.703 13.078 -0.459 203 HA ASN 30 HA ASN 30 -8.119 13.494 -2.063 204 1HB ASN 30 2HB ASN 30 -6.456 13.419 -3.986 205 2HB ASN 30 1HB ASN 30 -6.091 14.620 -2.762 206 1HD2 ASN 30 1HD2 ASN 30 -3.830 14.678 -2.928 207 2HD2 ASN 30 2HD2 ASN 30 -2.827 13.337 -2.663 208 H GLY 31 H GLY 31 -6.906 10.820 -0.644 209 1HA GLY 31 2HA GLY 31 -7.627 8.592 -0.847 210 2HA GLY 31 1HA GLY 31 -8.440 9.004 -2.350 211 H TYR 32 H TYR 32 -5.109 9.806 -1.876 212 HA TYR 32 HA TYR 32 -4.193 7.460 -3.470 213 1HB TYR 32 2HB TYR 32 -3.450 10.340 -4.055 214 2HB TYR 32 1HB TYR 32 -2.704 8.955 -4.805 215 HD1 TYR 32 HD1 TYR 32 -3.906 7.619 -6.466 216 HD2 TYR 32 HD2 TYR 32 -5.690 11.076 -4.739 217 HE1 TYR 32 HE1 TYR 32 -5.565 7.663 -8.266 218 HE2 TYR 32 HE2 TYR 32 -7.351 11.117 -6.533 219 HH TYR 32 HH TYR 32 -7.439 10.277 -8.967 220 H CYS 33 H CYS 33 -2.080 7.073 -3.409 221 HA CYS 33 HA CYS 33 -0.813 6.959 -0.944 222 1HB CYS 33 2HB CYS 33 0.267 6.866 -3.759 223 2HB CYS 33 1HB CYS 33 1.398 6.787 -2.455 224 H GLY 34 H GLY 34 0.861 7.910 0.085 225 1HA GLY 34 2HA GLY 34 2.709 9.668 -0.162 226 2HA GLY 34 1HA GLY 34 1.430 10.750 -0.684 Start of MODEL 18 1 H SER 1 H SER 1 2.800 11.883 1.332 2 HA SER 1 HA SER 1 4.924 9.971 2.199 3 1HB SER 1 2HB SER 1 6.565 11.651 1.271 4 2HB SER 1 1HB SER 1 5.457 11.085 0.015 5 HG SER 1 HG SER 1 4.106 12.890 0.598 6 H GLY 2 H GLY 2 5.580 10.122 4.133 7 1HA GLY 2 2HA GLY 2 6.171 10.877 6.244 8 2HA GLY 2 1HA GLY 2 6.228 12.489 5.572 9 H SER 3 H SER 3 4.180 10.125 7.152 10 HA SER 3 HA SER 3 2.662 12.297 8.449 11 1HB SER 3 2HB SER 3 1.412 11.739 6.255 12 2HB SER 3 1HB SER 3 1.163 10.111 6.913 13 HG SER 3 HG SER 3 -0.190 10.855 8.314 14 H ASP 4 H ASP 4 0.741 9.747 8.786 15 HA ASP 4 HA ASP 4 1.555 9.078 11.435 16 1HB ASP 4 2HB ASP 4 -0.325 7.418 11.271 17 2HB ASP 4 1HB ASP 4 -0.792 9.015 10.715 18 H GLY 5 H GLY 5 2.738 7.967 8.516 19 1HA GLY 5 2HA GLY 5 3.819 5.464 9.719 20 2HA GLY 5 1HA GLY 5 3.425 5.621 8.010 21 H GLY 6 H GLY 6 5.142 5.964 6.765 22 1HA GLY 6 2HA GLY 6 7.497 7.466 7.839 23 2HA GLY 6 1HA GLY 6 7.637 6.068 6.776 24 H VAL 7 H VAL 7 8.735 7.251 5.299 25 HA VAL 7 HA VAL 7 7.498 9.569 3.936 26 HB VAL 7 HB VAL 7 10.174 8.153 3.489 27 1HG1 VAL 7 1HG1 VAL 7 9.498 9.446 1.467 28 2HG1 VAL 7 2HG1 VAL 7 10.834 10.229 2.278 29 3HG1 VAL 7 3HG1 VAL 7 9.208 10.865 2.464 30 1HG2 VAL 7 1HG2 VAL 7 9.519 10.715 5.011 31 2HG2 VAL 7 2HG2 VAL 7 11.135 10.086 4.732 32 3HG2 VAL 7 3HG2 VAL 7 10.012 9.195 5.739 33 H CYS 8 H CYS 8 7.429 9.563 1.554 34 HA CYS 8 HA CYS 8 7.038 6.912 0.292 35 1HB CYS 8 2HB CYS 8 4.881 7.742 1.298 36 2HB CYS 8 1HB CYS 8 4.925 9.076 0.189 37 HA PRO 9 HA PRO 9 8.227 9.414 -3.356 38 1HB PRO 9 2HB PRO 9 7.499 7.436 -5.227 39 2HB PRO 9 1HB PRO 9 9.103 7.677 -4.558 40 1HG PRO 9 2HG PRO 9 7.194 5.529 -3.988 41 2HG PRO 9 1HG PRO 9 8.898 5.625 -3.571 42 1HD PRO 9 2HD PRO 9 6.634 6.018 -1.818 43 2HD PRO 9 1HD PRO 9 8.352 6.153 -1.400 44 H LYS 10 H LYS 10 6.916 10.771 -4.471 45 HA LYS 10 HA LYS 10 4.057 10.716 -3.983 46 1HB LYS 10 2HB LYS 10 5.745 12.474 -5.809 47 2HB LYS 10 1HB LYS 10 4.064 12.787 -5.409 48 1HG LYS 10 2HG LYS 10 4.682 12.897 -2.975 49 2HG LYS 10 1HG LYS 10 6.364 12.657 -3.399 50 1HD LYS 10 2HD LYS 10 4.657 14.994 -4.356 51 2HD LYS 10 1HD LYS 10 5.788 15.067 -3.021 52 1HE LYS 10 2HE LYS 10 7.659 14.486 -4.579 53 2HE LYS 10 1HE LYS 10 6.524 14.466 -5.923 54 1HZ LYS 10 1HZ LYS 10 7.108 16.789 -4.189 55 2HZ LYS 10 2HZ LYS 10 5.991 16.765 -5.469 56 3HZ LYS 10 3HZ LYS 10 7.648 16.561 -5.784 57 H ILE 11 H ILE 11 3.284 8.860 -4.881 58 HA ILE 11 HA ILE 11 3.286 8.638 -7.864 59 HB ILE 11 HB ILE 11 2.941 6.440 -5.761 60 1HG1 ILE 11 2HG1 ILE 11 5.296 6.982 -7.646 61 2HG1 ILE 11 1HG1 ILE 11 5.297 7.414 -5.951 62 1HG2 ILE 11 1HG2 ILE 11 3.194 6.302 -8.806 63 2HG2 ILE 11 2HG2 ILE 11 1.721 6.004 -7.899 64 3HG2 ILE 11 3HG2 ILE 11 3.076 4.911 -7.739 65 1HD1 ILE 11 1HD1 ILE 11 5.004 5.031 -5.323 66 2HD1 ILE 11 2HD1 ILE 11 6.456 5.275 -6.279 67 3HD1 ILE 11 3HD1 ILE 11 5.033 4.573 -7.020 68 H LEU 12 H LEU 12 1.344 8.113 -8.850 69 HA LEU 12 HA LEU 12 -1.060 9.105 -7.465 70 1HB LEU 12 2HB LEU 12 -0.632 8.198 -10.350 71 2HB LEU 12 1HB LEU 12 -2.068 9.007 -9.755 72 HG LEU 12 HG LEU 12 0.735 10.227 -9.728 73 1HD1 LEU 12 1HD1 LEU 12 -0.167 9.971 -12.028 74 2HD1 LEU 12 2HD1 LEU 12 -0.130 11.663 -11.565 75 3HD1 LEU 12 3HD1 LEU 12 -1.649 10.782 -11.548 76 1HD2 LEU 12 1HD2 LEU 12 -1.989 11.474 -9.123 77 2HD2 LEU 12 2HD2 LEU 12 -0.462 12.339 -9.171 78 3HD2 LEU 12 3HD2 LEU 12 -0.747 11.141 -7.928 79 H LYS 13 H LYS 13 -0.103 6.694 -6.467 80 HA LYS 13 HA LYS 13 -1.879 4.560 -7.469 81 1HB LYS 13 2HB LYS 13 0.311 4.714 -5.364 82 2HB LYS 13 1HB LYS 13 -0.756 3.331 -5.401 83 1HG LYS 13 2HG LYS 13 0.570 4.133 -7.986 84 2HG LYS 13 1HG LYS 13 1.569 3.389 -6.757 85 1HD LYS 13 2HD LYS 13 0.705 1.669 -8.277 86 2HD LYS 13 1HD LYS 13 0.036 1.434 -6.678 87 1HE LYS 13 2HE LYS 13 -2.097 2.457 -7.376 88 2HE LYS 13 1HE LYS 13 -1.430 2.816 -8.968 89 1HZ LYS 13 1HZ LYS 13 -2.774 0.811 -8.931 90 2HZ LYS 13 2HZ LYS 13 -1.723 0.113 -7.793 91 3HZ LYS 13 3HZ LYS 13 -1.164 0.475 -9.355 92 H LYS 14 H LYS 14 -3.850 4.260 -6.669 93 HA LYS 14 HA LYS 14 -4.953 5.960 -4.666 94 1HB LYS 14 2HB LYS 14 -5.967 3.302 -5.660 95 2HB LYS 14 1HB LYS 14 -6.909 4.454 -4.727 96 1HG LYS 14 2HG LYS 14 -6.619 6.168 -6.483 97 2HG LYS 14 1HG LYS 14 -5.707 5.046 -7.472 98 1HD LYS 14 2HD LYS 14 -8.608 4.649 -6.615 99 2HD LYS 14 1HD LYS 14 -8.120 5.317 -8.154 100 1HE LYS 14 2HE LYS 14 -8.601 2.988 -8.545 101 2HE LYS 14 1HE LYS 14 -6.854 3.137 -8.599 102 1HZ LYS 14 1HZ LYS 14 -6.616 1.858 -6.824 103 2HZ LYS 14 2HZ LYS 14 -8.219 1.374 -7.109 104 3HZ LYS 14 3HZ LYS 14 -7.890 2.595 -5.975 105 H CYS 15 H CYS 15 -5.703 5.511 -2.680 106 HA CYS 15 HA CYS 15 -4.773 3.089 -1.230 107 1HB CYS 15 2HB CYS 15 -3.744 4.463 0.530 108 2HB CYS 15 1HB CYS 15 -2.947 4.629 -1.010 109 H ARG 16 H ARG 16 -6.290 2.327 0.032 110 HA ARG 16 HA ARG 16 -8.720 3.778 0.579 111 1HB ARG 16 2HB ARG 16 -8.348 1.189 0.206 112 2HB ARG 16 1HB ARG 16 -7.785 1.159 1.860 113 1HG ARG 16 2HG ARG 16 -10.115 0.577 1.930 114 2HG ARG 16 1HG ARG 16 -9.994 2.209 2.561 115 1HD ARG 16 2HD ARG 16 -11.842 2.102 0.939 116 2HD ARG 16 1HD ARG 16 -10.558 3.088 0.249 117 HE ARG 16 HE ARG 16 -10.246 0.321 -0.497 118 1HH1 ARG 16 1HH1 ARG 16 -12.044 3.210 -1.148 119 2HH1 ARG 16 2HH1 ARG 16 -12.380 2.768 -2.788 120 1HH2 ARG 16 1HH2 ARG 16 -10.659 -0.261 -2.569 121 2HH2 ARG 16 2HH2 ARG 16 -11.585 0.774 -3.605 122 H ARG 17 H ARG 17 -6.065 2.490 2.400 123 HA ARG 17 HA ARG 17 -6.424 4.474 4.601 124 1HB ARG 17 2HB ARG 17 -5.627 2.703 6.172 125 2HB ARG 17 1HB ARG 17 -7.121 2.220 5.391 126 1HG ARG 17 2HG ARG 17 -5.871 0.820 3.785 127 2HG ARG 17 1HG ARG 17 -4.337 1.357 4.454 128 1HD ARG 17 2HD ARG 17 -4.953 0.334 6.639 129 2HD ARG 17 1HD ARG 17 -6.464 -0.245 5.931 130 HE ARG 17 HE ARG 17 -4.485 -1.157 4.203 131 1HH1 ARG 17 1HH1 ARG 17 -5.188 -1.446 7.585 132 2HH1 ARG 17 2HH1 ARG 17 -4.455 -3.009 7.718 133 1HH2 ARG 17 1HH2 ARG 17 -3.555 -3.131 4.348 134 2HH2 ARG 17 2HH2 ARG 17 -3.517 -3.980 5.859 135 H ASP 18 H ASP 18 -4.235 4.558 5.899 136 HA ASP 18 HA ASP 18 -2.262 5.607 4.321 137 1HB ASP 18 2HB ASP 18 -2.096 4.323 7.059 138 2HB ASP 18 1HB ASP 18 -0.883 5.386 6.393 139 H SER 19 H SER 19 -2.174 2.420 5.800 140 HA SER 19 HA SER 19 0.266 1.622 4.485 141 1HB SER 19 2HB SER 19 -0.236 -0.565 5.521 142 2HB SER 19 1HB SER 19 -0.485 0.778 6.662 143 HG SER 19 HG SER 19 -2.712 0.768 5.895 144 H ASP 20 H ASP 20 -2.600 2.055 3.120 145 HA ASP 20 HA ASP 20 -2.857 -0.351 1.464 146 1HB ASP 20 2HB ASP 20 -4.710 1.371 2.084 147 2HB ASP 20 1HB ASP 20 -4.044 2.345 0.800 148 H CYS 21 H CYS 21 -0.968 2.413 1.507 149 HA CYS 21 HA CYS 21 -0.338 2.567 -1.373 150 1HB CYS 21 2HB CYS 21 -0.445 4.580 -0.056 151 2HB CYS 21 1HB CYS 21 0.822 3.992 0.999 152 HA PRO 22 HA PRO 22 3.089 -0.326 -0.776 153 1HB PRO 22 2HB PRO 22 4.614 0.766 -2.999 154 2HB PRO 22 1HB PRO 22 3.704 -0.733 -2.927 155 1HG PRO 22 2HG PRO 22 2.997 1.536 -4.436 156 2HG PRO 22 1HG PRO 22 1.914 0.208 -4.040 157 1HD PRO 22 2HD PRO 22 2.083 2.924 -2.826 158 2HD PRO 22 1HD PRO 22 0.681 1.863 -2.940 159 H GLY 23 H GLY 23 5.470 -0.276 -0.315 160 1HA GLY 23 2HA GLY 23 7.405 0.729 0.644 161 2HA GLY 23 1HA GLY 23 6.791 2.281 0.089 162 H ALA 24 H ALA 24 7.616 3.082 2.019 163 HA ALA 24 HA ALA 24 6.311 2.354 4.571 164 1HB ALA 24 1HB ALA 24 8.744 2.827 4.475 165 2HB ALA 24 2HB ALA 24 7.934 4.001 5.504 166 3HB ALA 24 3HB ALA 24 8.417 4.442 3.868 167 H CYS 25 H CYS 25 5.089 3.604 2.156 168 HA CYS 25 HA CYS 25 4.298 6.282 2.646 169 1HB CYS 25 2HB CYS 25 2.954 4.096 1.100 170 2HB CYS 25 1HB CYS 25 2.571 5.790 0.950 171 H ILE 26 H ILE 26 2.151 6.979 2.702 172 HA ILE 26 HA ILE 26 0.319 5.622 4.631 173 HB ILE 26 HB ILE 26 -0.148 8.021 5.498 174 1HG1 ILE 26 2HG1 ILE 26 1.209 8.989 3.449 175 2HG1 ILE 26 1HG1 ILE 26 1.194 9.850 4.947 176 1HG2 ILE 26 1HG2 ILE 26 2.560 6.804 6.095 177 2HG2 ILE 26 2HG2 ILE 26 1.037 6.393 6.856 178 3HG2 ILE 26 3HG2 ILE 26 1.715 7.995 7.076 179 1HD1 ILE 26 1HD1 ILE 26 3.446 9.719 4.042 180 2HD1 ILE 26 2HD1 ILE 26 3.424 7.973 4.025 181 3HD1 ILE 26 3HD1 ILE 26 3.399 8.843 5.550 182 H CYS 27 H CYS 27 -1.574 7.722 4.411 183 HA CYS 27 HA CYS 27 -2.112 7.878 1.483 184 1HB CYS 27 2HB CYS 27 -3.166 5.898 2.399 185 2HB CYS 27 1HB CYS 27 -4.056 6.862 3.551 186 H ARG 28 H ARG 28 -2.762 9.690 0.811 187 HA ARG 28 HA ARG 28 -3.402 11.902 2.650 188 1HB ARG 28 2HB ARG 28 -3.391 11.807 -0.358 189 2HB ARG 28 1HB ARG 28 -3.543 13.270 0.585 190 1HG ARG 28 2HG ARG 28 -1.309 12.872 1.592 191 2HG ARG 28 1HG ARG 28 -1.166 11.387 0.667 192 1HD ARG 28 2HD ARG 28 -1.504 14.143 -0.598 193 2HD ARG 28 1HD ARG 28 0.034 13.289 -0.447 194 HE ARG 28 HE ARG 28 -1.817 11.535 -1.681 195 1HH1 ARG 28 1HH1 ARG 28 -0.148 14.503 -2.311 196 2HH1 ARG 28 2HH1 ARG 28 -0.114 14.253 -4.023 197 1HH2 ARG 28 1HH2 ARG 28 -1.786 11.192 -3.833 198 2HH2 ARG 28 2HH2 ARG 28 -1.061 12.344 -4.905 199 H GLY 29 H GLY 29 -5.211 13.335 2.066 200 1HA GLY 29 2HA GLY 29 -7.719 11.918 2.356 201 2HA GLY 29 1HA GLY 29 -7.523 13.662 2.249 202 H ASN 30 H ASN 30 -5.961 12.850 -0.384 203 HA ASN 30 HA ASN 30 -8.280 13.340 -2.116 204 1HB ASN 30 2HB ASN 30 -6.596 13.450 -3.942 205 2HB ASN 30 1HB ASN 30 -6.161 14.482 -2.598 206 1HD2 ASN 30 1HD2 ASN 30 -5.485 11.239 -1.740 207 2HD2 ASN 30 2HD2 ASN 30 -3.851 11.237 -2.190 208 H GLY 31 H GLY 31 -7.078 10.586 -0.803 209 1HA GLY 31 2HA GLY 31 -7.839 8.377 -1.170 210 2HA GLY 31 1HA GLY 31 -8.493 8.866 -2.729 211 H TYR 32 H TYR 32 -5.266 9.698 -1.880 212 HA TYR 32 HA TYR 32 -4.067 7.428 -3.359 213 1HB TYR 32 2HB TYR 32 -3.469 10.334 -4.027 214 2HB TYR 32 1HB TYR 32 -2.626 8.958 -4.691 215 HD1 TYR 32 HD1 TYR 32 -5.853 10.754 -4.682 216 HD2 TYR 32 HD2 TYR 32 -3.589 7.614 -6.443 217 HE1 TYR 32 HE1 TYR 32 -7.497 10.584 -6.490 218 HE2 TYR 32 HE2 TYR 32 -5.226 7.444 -8.252 219 HH TYR 32 HH TYR 32 -6.921 8.928 -9.345 220 H CYS 33 H CYS 33 -2.014 7.149 -3.044 221 HA CYS 33 HA CYS 33 -0.901 7.075 -0.582 222 1HB CYS 33 2HB CYS 33 0.415 7.391 -3.273 223 2HB CYS 33 1HB CYS 33 1.420 7.229 -1.870 224 H GLY 34 H GLY 34 0.569 8.088 0.686 225 1HA GLY 34 2HA GLY 34 1.091 10.996 0.183 226 2HA GLY 34 1HA GLY 34 0.477 10.422 1.732 Start of MODEL 19 1 H SER 1 H SER 1 0.665 12.028 0.680 2 HA SER 1 HA SER 1 0.027 13.027 2.664 3 1HB SER 1 2HB SER 1 -1.162 10.844 3.119 4 2HB SER 1 1HB SER 1 0.300 10.183 3.844 5 HG SER 1 HG SER 1 0.181 11.603 5.453 6 H GLY 2 H GLY 2 1.607 11.171 4.858 7 1HA GLY 2 2HA GLY 2 4.255 11.370 4.943 8 2HA GLY 2 1HA GLY 2 3.893 13.087 4.999 9 H SER 3 H SER 3 4.530 10.430 6.809 10 HA SER 3 HA SER 3 3.887 11.804 9.337 11 1HB SER 3 2HB SER 3 2.643 9.775 10.231 12 2HB SER 3 1HB SER 3 1.822 10.393 8.793 13 HG SER 3 HG SER 3 3.621 8.228 9.003 14 H ASP 4 H ASP 4 4.373 8.874 10.426 15 HA ASP 4 HA ASP 4 7.143 9.191 10.986 16 1HB ASP 4 2HB ASP 4 5.600 7.805 12.379 17 2HB ASP 4 1HB ASP 4 5.427 6.661 11.059 18 H GLY 5 H GLY 5 5.421 7.435 8.558 19 1HA GLY 5 2HA GLY 5 7.915 6.473 7.258 20 2HA GLY 5 1HA GLY 5 6.290 5.876 6.932 21 H GLY 6 H GLY 6 7.300 9.220 7.188 22 1HA GLY 6 2HA GLY 6 5.967 10.033 4.775 23 2HA GLY 6 1HA GLY 6 7.030 11.032 5.749 24 H VAL 7 H VAL 7 8.525 8.173 4.733 25 HA VAL 7 HA VAL 7 10.184 9.639 2.760 26 HB VAL 7 HB VAL 7 10.462 6.815 3.832 27 1HG1 VAL 7 1HG1 VAL 7 11.886 7.290 1.823 28 2HG1 VAL 7 2HG1 VAL 7 12.888 7.107 3.246 29 3HG1 VAL 7 3HG1 VAL 7 12.537 8.708 2.622 30 1HG2 VAL 7 1HG2 VAL 7 11.691 9.374 4.963 31 2HG2 VAL 7 2HG2 VAL 7 12.084 7.752 5.508 32 3HG2 VAL 7 3HG2 VAL 7 10.471 8.389 5.755 33 H CYS 8 H CYS 8 7.701 9.350 1.936 34 HA CYS 8 HA CYS 8 7.363 6.964 0.253 35 1HB CYS 8 2HB CYS 8 5.461 7.972 1.475 36 2HB CYS 8 1HB CYS 8 5.627 9.421 0.531 37 HA PRO 9 HA PRO 9 8.776 9.199 -3.459 38 1HB PRO 9 2HB PRO 9 7.779 7.304 -5.282 39 2HB PRO 9 1HB PRO 9 9.393 7.312 -4.588 40 1HG PRO 9 2HG PRO 9 7.139 5.530 -3.982 41 2HG PRO 9 1HG PRO 9 8.839 5.331 -3.587 42 1HD PRO 9 2HD PRO 9 6.725 6.122 -1.805 43 2HD PRO 9 1HD PRO 9 8.456 6.033 -1.428 44 H LYS 10 H LYS 10 7.701 10.210 -5.264 45 HA LYS 10 HA LYS 10 4.968 11.034 -4.603 46 1HB LYS 10 2HB LYS 10 6.807 11.827 -6.907 47 2HB LYS 10 1HB LYS 10 5.301 12.630 -6.492 48 1HG LYS 10 2HG LYS 10 6.229 13.134 -4.211 49 2HG LYS 10 1HG LYS 10 7.741 12.375 -4.673 50 1HD LYS 10 2HD LYS 10 8.025 14.023 -6.517 51 2HD LYS 10 1HD LYS 10 6.511 14.792 -6.067 52 1HE LYS 10 2HE LYS 10 7.446 15.324 -3.819 53 2HE LYS 10 1HE LYS 10 8.963 14.553 -4.269 54 1HZ LYS 10 1HZ LYS 10 9.200 16.147 -6.058 55 2HZ LYS 10 2HZ LYS 10 9.074 16.925 -4.553 56 3HZ LYS 10 3HZ LYS 10 7.744 16.896 -5.609 57 H ILE 11 H ILE 11 3.686 9.309 -4.949 58 HA ILE 11 HA ILE 11 3.243 8.465 -7.778 59 HB ILE 11 HB ILE 11 2.744 6.141 -6.885 60 1HG1 ILE 11 2HG1 ILE 11 3.995 7.222 -4.305 61 2HG1 ILE 11 1HG1 ILE 11 2.300 6.844 -4.505 62 1HG2 ILE 11 1HG2 ILE 11 5.561 7.196 -6.346 63 2HG2 ILE 11 2HG2 ILE 11 4.939 6.703 -7.913 64 3HG2 ILE 11 3HG2 ILE 11 5.149 5.518 -6.643 65 1HD1 ILE 11 1HD1 ILE 11 2.856 4.473 -4.930 66 2HD1 ILE 11 2HD1 ILE 11 3.465 5.005 -3.374 67 3HD1 ILE 11 3HD1 ILE 11 4.565 4.825 -4.723 68 H LEU 12 H LEU 12 1.183 8.214 -8.401 69 HA LEU 12 HA LEU 12 -0.938 9.146 -6.518 70 1HB LEU 12 2HB LEU 12 -0.828 9.094 -9.567 71 2HB LEU 12 1HB LEU 12 -2.209 9.656 -8.648 72 HG LEU 12 HG LEU 12 0.577 10.880 -8.441 73 1HD1 LEU 12 1HD1 LEU 12 -1.898 11.870 -9.931 74 2HD1 LEU 12 2HD1 LEU 12 -0.434 11.260 -10.684 75 3HD1 LEU 12 3HD1 LEU 12 -0.389 12.754 -9.767 76 1HD2 LEU 12 1HD2 LEU 12 -0.830 11.228 -6.396 77 2HD2 LEU 12 2HD2 LEU 12 -2.129 11.850 -7.401 78 3HD2 LEU 12 3HD2 LEU 12 -0.615 12.728 -7.270 79 H LYS 13 H LYS 13 -0.184 6.611 -6.126 80 HA LYS 13 HA LYS 13 -2.060 4.808 -7.547 81 1HB LYS 13 2HB LYS 13 0.012 4.346 -5.362 82 2HB LYS 13 1HB LYS 13 -1.034 3.085 -5.985 83 1HG LYS 13 2HG LYS 13 -0.112 3.562 -8.302 84 2HG LYS 13 1HG LYS 13 0.948 4.767 -7.603 85 1HD LYS 13 2HD LYS 13 2.226 2.734 -7.887 86 2HD LYS 13 1HD LYS 13 1.973 2.969 -6.169 87 1HE LYS 13 2HE LYS 13 0.132 1.312 -6.176 88 2HE LYS 13 1HE LYS 13 0.301 1.114 -7.916 89 1HZ LYS 13 1HZ LYS 13 2.759 0.771 -6.479 90 2HZ LYS 13 2HZ LYS 13 2.034 -0.214 -7.657 91 3HZ LYS 13 3HZ LYS 13 1.556 -0.341 -6.032 92 H LYS 14 H LYS 14 -4.060 4.602 -6.817 93 HA LYS 14 HA LYS 14 -5.157 5.943 -4.634 94 1HB LYS 14 2HB LYS 14 -6.140 3.336 -5.789 95 2HB LYS 14 1HB LYS 14 -7.064 4.433 -4.777 96 1HG LYS 14 2HG LYS 14 -6.887 6.235 -6.411 97 2HG LYS 14 1HG LYS 14 -5.900 5.249 -7.476 98 1HD LYS 14 2HD LYS 14 -8.774 4.622 -6.666 99 2HD LYS 14 1HD LYS 14 -8.306 5.370 -8.178 100 1HE LYS 14 2HE LYS 14 -6.959 3.334 -8.757 101 2HE LYS 14 1HE LYS 14 -7.492 2.571 -7.263 102 1HZ LYS 14 1HZ LYS 14 -8.875 1.840 -9.003 103 2HZ LYS 14 2HZ LYS 14 -9.185 3.425 -9.527 104 3HZ LYS 14 3HZ LYS 14 -9.794 2.890 -8.034 105 H CYS 15 H CYS 15 -5.819 5.449 -2.718 106 HA CYS 15 HA CYS 15 -4.961 2.966 -1.334 107 1HB CYS 15 2HB CYS 15 -3.977 4.303 0.508 108 2HB CYS 15 1HB CYS 15 -3.115 4.448 -0.999 109 H ARG 16 H ARG 16 -6.504 2.210 -0.037 110 HA ARG 16 HA ARG 16 -8.884 3.870 0.516 111 1HB ARG 16 2HB ARG 16 -9.847 1.756 1.423 112 2HB ARG 16 1HB ARG 16 -9.241 1.554 -0.205 113 1HG ARG 16 2HG ARG 16 -7.169 0.503 0.696 114 2HG ARG 16 1HG ARG 16 -7.769 0.704 2.331 115 1HD ARG 16 2HD ARG 16 -8.219 -1.607 1.488 116 2HD ARG 16 1HD ARG 16 -9.711 -0.746 1.828 117 HE ARG 16 HE ARG 16 -10.212 -0.742 -0.465 118 1HH1 ARG 16 1HH1 ARG 16 -6.905 -1.616 0.052 119 2HH1 ARG 16 2HH1 ARG 16 -6.642 -2.064 -1.600 120 1HH2 ARG 16 1HH2 ARG 16 -9.913 -1.306 -2.556 121 2HH2 ARG 16 2HH2 ARG 16 -8.375 -1.889 -3.100 122 H ARG 17 H ARG 17 -6.181 2.421 2.169 123 HA ARG 17 HA ARG 17 -6.796 3.973 4.638 124 1HB ARG 17 2HB ARG 17 -5.864 2.107 5.969 125 2HB ARG 17 1HB ARG 17 -7.278 1.557 5.090 126 1HG ARG 17 2HG ARG 17 -5.850 0.530 3.386 127 2HG ARG 17 1HG ARG 17 -4.395 1.160 4.146 128 1HD ARG 17 2HD ARG 17 -4.916 -0.221 6.172 129 2HD ARG 17 1HD ARG 17 -6.283 -0.925 5.307 130 HE ARG 17 HE ARG 17 -3.470 -1.521 4.869 131 1HH1 ARG 17 1HH1 ARG 17 -6.596 -1.345 3.371 132 2HH1 ARG 17 2HH1 ARG 17 -6.185 -2.477 2.129 133 1HH2 ARG 17 1HH2 ARG 17 -2.937 -2.956 3.305 134 2HH2 ARG 17 2HH2 ARG 17 -4.088 -3.404 2.089 135 H ASP 18 H ASP 18 -4.789 4.250 5.931 136 HA ASP 18 HA ASP 18 -2.813 5.555 4.495 137 1HB ASP 18 2HB ASP 18 -2.980 4.399 7.260 138 2HB ASP 18 1HB ASP 18 -1.560 5.264 6.737 139 H SER 19 H SER 19 -2.694 2.284 5.751 140 HA SER 19 HA SER 19 -0.030 1.854 4.555 141 1HB SER 19 2HB SER 19 -0.144 -0.260 5.748 142 2HB SER 19 1HB SER 19 -0.554 1.128 6.796 143 HG SER 19 HG SER 19 -2.404 -0.531 5.417 144 H ASP 20 H ASP 20 -2.424 2.180 2.956 145 HA ASP 20 HA ASP 20 -2.719 -0.456 1.584 146 1HB ASP 20 2HB ASP 20 -4.687 1.261 1.952 147 2HB ASP 20 1HB ASP 20 -3.977 2.106 0.610 148 H CYS 21 H CYS 21 -0.893 2.293 1.490 149 HA CYS 21 HA CYS 21 -0.284 2.303 -1.388 150 1HB CYS 21 2HB CYS 21 -0.401 4.391 -0.102 151 2HB CYS 21 1HB CYS 21 0.965 3.864 0.863 152 HA PRO 22 HA PRO 22 3.352 -0.351 -0.809 153 1HB PRO 22 2HB PRO 22 4.721 0.945 -3.049 154 2HB PRO 22 1HB PRO 22 4.090 -0.690 -2.933 155 1HG PRO 22 2HG PRO 22 2.993 1.333 -4.511 156 2HG PRO 22 1HG PRO 22 2.119 -0.105 -3.994 157 1HD PRO 22 2HD PRO 22 1.966 2.679 -2.953 158 2HD PRO 22 1HD PRO 22 0.697 1.449 -2.964 159 H GLY 23 H GLY 23 5.579 -0.118 -0.177 160 1HA GLY 23 2HA GLY 23 7.413 0.994 0.835 161 2HA GLY 23 1HA GLY 23 6.812 2.495 0.137 162 H ALA 24 H ALA 24 7.605 3.234 2.210 163 HA ALA 24 HA ALA 24 6.114 2.635 4.643 164 1HB ALA 24 1HB ALA 24 8.493 3.296 4.655 165 2HB ALA 24 2HB ALA 24 7.540 4.448 5.582 166 3HB ALA 24 3HB ALA 24 8.078 4.852 3.954 167 H CYS 25 H CYS 25 5.275 4.173 1.953 168 HA CYS 25 HA CYS 25 4.213 6.661 2.478 169 1HB CYS 25 2HB CYS 25 3.022 4.455 0.837 170 2HB CYS 25 1HB CYS 25 2.538 6.121 0.707 171 H ILE 26 H ILE 26 2.266 7.525 2.906 172 HA ILE 26 HA ILE 26 0.390 5.873 4.556 173 HB ILE 26 HB ILE 26 -0.020 8.608 5.232 174 1HG1 ILE 26 2HG1 ILE 26 2.226 9.292 4.336 175 2HG1 ILE 26 1HG1 ILE 26 2.022 9.573 6.035 176 1HG2 ILE 26 1HG2 ILE 26 1.464 6.481 6.776 177 2HG2 ILE 26 2HG2 ILE 26 -0.263 6.778 6.756 178 3HG2 ILE 26 3HG2 ILE 26 0.810 7.965 7.459 179 1HD1 ILE 26 1HD1 ILE 26 3.393 7.518 6.515 180 2HD1 ILE 26 2HD1 ILE 26 4.251 8.713 5.568 181 3HD1 ILE 26 3HD1 ILE 26 3.623 7.280 4.800 182 H CYS 27 H CYS 27 -1.871 7.082 4.381 183 HA CYS 27 HA CYS 27 -2.263 7.625 1.472 184 1HB CYS 27 2HB CYS 27 -3.433 5.752 2.491 185 2HB CYS 27 1HB CYS 27 -4.299 6.839 3.549 186 H ARG 28 H ARG 28 -2.778 9.437 0.743 187 HA ARG 28 HA ARG 28 -3.097 11.818 2.357 188 1HB ARG 28 2HB ARG 28 -3.711 11.410 -0.566 189 2HB ARG 28 1HB ARG 28 -3.528 12.964 0.212 190 1HG ARG 28 2HG ARG 28 -1.212 12.524 0.747 191 2HG ARG 28 1HG ARG 28 -1.305 10.878 0.143 192 1HD ARG 28 2HD ARG 28 -0.243 12.300 -1.551 193 2HD ARG 28 1HD ARG 28 -1.831 11.823 -2.147 194 HE ARG 28 HE ARG 28 -2.073 14.291 -0.728 195 1HH1 ARG 28 1HH1 ARG 28 -0.755 12.938 -3.633 196 2HH1 ARG 28 2HH1 ARG 28 -0.905 14.415 -4.526 197 1HH2 ARG 28 1HH2 ARG 28 -2.273 16.172 -1.839 198 2HH2 ARG 28 2HH2 ARG 28 -1.777 16.275 -3.495 199 H GLY 29 H GLY 29 -4.919 13.327 1.956 200 1HA GLY 29 2HA GLY 29 -7.417 12.107 2.813 201 2HA GLY 29 1HA GLY 29 -7.143 13.825 2.537 202 H ASN 30 H ASN 30 -6.060 12.901 -0.197 203 HA ASN 30 HA ASN 30 -8.599 13.243 -1.632 204 1HB ASN 30 2HB ASN 30 -7.016 13.317 -3.657 205 2HB ASN 30 1HB ASN 30 -6.758 14.549 -2.439 206 1HD2 ASN 30 1HD2 ASN 30 -5.669 11.127 -2.722 207 2HD2 ASN 30 2HD2 ASN 30 -4.031 11.493 -2.459 208 H GLY 31 H GLY 31 -7.057 10.600 -0.449 209 1HA GLY 31 2HA GLY 31 -7.724 8.349 -0.718 210 2HA GLY 31 1HA GLY 31 -8.561 8.774 -2.198 211 H TYR 32 H TYR 32 -5.255 9.728 -1.745 212 HA TYR 32 HA TYR 32 -4.276 7.442 -3.392 213 1HB TYR 32 2HB TYR 32 -3.659 10.359 -3.985 214 2HB TYR 32 1HB TYR 32 -2.875 9.003 -4.740 215 HD1 TYR 32 HD1 TYR 32 -6.111 10.818 -4.530 216 HD2 TYR 32 HD2 TYR 32 -3.919 7.709 -6.432 217 HE1 TYR 32 HE1 TYR 32 -7.813 10.686 -6.276 218 HE2 TYR 32 HE2 TYR 32 -5.615 7.579 -8.185 219 HH TYR 32 HH TYR 32 -8.133 8.148 -8.344 220 H CYS 33 H CYS 33 -2.178 7.105 -3.362 221 HA CYS 33 HA CYS 33 -0.862 7.019 -0.919 222 1HB CYS 33 2HB CYS 33 0.127 6.906 -3.756 223 2HB CYS 33 1HB CYS 33 1.313 6.902 -2.494 224 H GLY 34 H GLY 34 0.969 7.931 -0.021 225 1HA GLY 34 2HA GLY 34 2.739 9.698 -0.258 226 2HA GLY 34 1HA GLY 34 1.474 10.788 -0.777 Start of MODEL 20 1 H SER 1 H SER 1 1.081 12.158 1.562 2 HA SER 1 HA SER 1 0.762 12.788 3.728 3 1HB SER 1 2HB SER 1 -1.094 11.033 3.743 4 2HB SER 1 1HB SER 1 0.071 9.825 4.256 5 HG SER 1 HG SER 1 0.407 10.907 6.116 6 H GLY 2 H GLY 2 1.571 12.358 5.915 7 1HA GLY 2 2HA GLY 2 4.086 10.828 6.167 8 2HA GLY 2 1HA GLY 2 4.256 12.583 6.246 9 H SER 3 H SER 3 2.783 9.781 7.721 10 HA SER 3 HA SER 3 1.980 11.277 10.139 11 1HB SER 3 2HB SER 3 1.726 8.303 9.458 12 2HB SER 3 1HB SER 3 0.951 9.117 10.828 13 HG SER 3 HG SER 3 0.120 10.616 9.178 14 H ASP 4 H ASP 4 4.645 9.713 8.976 15 HA ASP 4 HA ASP 4 5.865 9.437 11.690 16 1HB ASP 4 2HB ASP 4 5.409 7.194 10.693 17 2HB ASP 4 1HB ASP 4 6.317 7.641 9.262 18 H GLY 5 H GLY 5 6.211 10.309 8.368 19 1HA GLY 5 2HA GLY 5 8.145 12.341 8.814 20 2HA GLY 5 1HA GLY 5 8.994 10.894 8.267 21 H GLY 6 H GLY 6 6.564 10.125 6.685 22 1HA GLY 6 2HA GLY 6 5.639 10.479 4.562 23 2HA GLY 6 1HA GLY 6 6.168 12.158 4.647 24 H VAL 7 H VAL 7 7.830 9.049 4.720 25 HA VAL 7 HA VAL 7 9.831 9.987 2.733 26 HB VAL 7 HB VAL 7 9.696 7.387 4.307 27 1HG1 VAL 7 1HG1 VAL 7 11.325 7.338 2.397 28 2HG1 VAL 7 2HG1 VAL 7 12.173 7.327 3.927 29 3HG1 VAL 7 3HG1 VAL 7 12.063 8.810 2.995 30 1HG2 VAL 7 1HG2 VAL 7 11.123 9.979 5.070 31 2HG2 VAL 7 2HG2 VAL 7 11.265 8.460 5.941 32 3HG2 VAL 7 3HG2 VAL 7 9.730 9.304 5.900 33 H CYS 8 H CYS 8 7.375 9.778 1.769 34 HA CYS 8 HA CYS 8 7.108 7.206 0.312 35 1HB CYS 8 2HB CYS 8 5.163 8.093 1.511 36 2HB CYS 8 1HB CYS 8 5.210 9.535 0.540 37 HA PRO 9 HA PRO 9 8.296 9.442 -3.489 38 1HB PRO 9 2HB PRO 9 7.803 7.258 -5.177 39 2HB PRO 9 1HB PRO 9 9.349 7.649 -4.441 40 1HG PRO 9 2HG PRO 9 7.477 5.483 -3.763 41 2HG PRO 9 1HG PRO 9 9.168 5.661 -3.315 42 1HD PRO 9 2HD PRO 9 6.869 6.123 -1.643 43 2HD PRO 9 1HD PRO 9 8.567 6.409 -1.219 44 H LYS 10 H LYS 10 6.827 10.792 -4.262 45 HA LYS 10 HA LYS 10 3.980 10.264 -4.186 46 1HB LYS 10 2HB LYS 10 5.577 12.531 -5.455 47 2HB LYS 10 1HB LYS 10 3.827 12.517 -5.310 48 1HG LYS 10 2HG LYS 10 4.047 12.321 -2.822 49 2HG LYS 10 1HG LYS 10 5.795 12.384 -2.982 50 1HD LYS 10 2HD LYS 10 5.640 14.631 -4.015 51 2HD LYS 10 1HD LYS 10 3.888 14.573 -3.918 52 1HE LYS 10 2HE LYS 10 4.037 14.414 -1.432 53 2HE LYS 10 1HE LYS 10 5.793 14.491 -1.537 54 1HZ LYS 10 1HZ LYS 10 5.591 16.649 -2.598 55 2HZ LYS 10 2HZ LYS 10 4.867 16.639 -1.061 56 3HZ LYS 10 3HZ LYS 10 3.900 16.573 -2.456 57 H ILE 11 H ILE 11 3.510 8.562 -5.446 58 HA ILE 11 HA ILE 11 3.835 8.840 -8.405 59 HB ILE 11 HB ILE 11 3.744 6.290 -6.709 60 1HG1 ILE 11 2HG1 ILE 11 6.081 7.466 -8.298 61 2HG1 ILE 11 1HG1 ILE 11 5.912 7.646 -6.566 62 1HG2 ILE 11 1HG2 ILE 11 4.160 6.690 -9.711 63 2HG2 ILE 11 2HG2 ILE 11 2.728 5.997 -8.966 64 3HG2 ILE 11 3HG2 ILE 11 4.250 5.142 -8.886 65 1HD1 ILE 11 1HD1 ILE 11 6.179 4.981 -8.020 66 2HD1 ILE 11 2HD1 ILE 11 5.969 5.177 -6.288 67 3HD1 ILE 11 3HD1 ILE 11 7.418 5.777 -7.074 68 H LEU 12 H LEU 12 2.048 8.158 -9.634 69 HA LEU 12 HA LEU 12 -0.524 8.795 -8.538 70 1HB LEU 12 2HB LEU 12 0.232 7.469 -11.184 71 2HB LEU 12 1HB LEU 12 -1.362 8.077 -10.797 72 HG LEU 12 HG LEU 12 -0.033 10.328 -10.293 73 1HD1 LEU 12 1HD1 LEU 12 1.853 10.702 -11.857 74 2HD1 LEU 12 2HD1 LEU 12 1.845 8.999 -12.273 75 3HD1 LEU 12 3HD1 LEU 12 2.265 9.517 -10.649 76 1HD2 LEU 12 1HD2 LEU 12 -1.782 10.080 -12.042 77 2HD2 LEU 12 2HD2 LEU 12 -0.610 9.354 -13.130 78 3HD2 LEU 12 3HD2 LEU 12 -0.451 11.040 -12.661 79 H LYS 13 H LYS 13 -0.751 7.386 -6.809 80 HA LYS 13 HA LYS 13 -1.663 4.642 -7.479 81 1HB LYS 13 2HB LYS 13 0.078 5.560 -5.185 82 2HB LYS 13 1HB LYS 13 -0.684 3.990 -5.243 83 1HG LYS 13 2HG LYS 13 0.597 3.474 -7.328 84 2HG LYS 13 1HG LYS 13 1.327 5.074 -7.274 85 1HD LYS 13 2HD LYS 13 2.328 4.564 -5.057 86 2HD LYS 13 1HD LYS 13 1.581 2.977 -5.078 87 1HE LYS 13 2HE LYS 13 3.614 3.949 -7.125 88 2HE LYS 13 1HE LYS 13 3.976 2.889 -5.775 89 1HZ LYS 13 1HZ LYS 13 2.179 1.406 -6.713 90 2HZ LYS 13 2HZ LYS 13 3.643 1.489 -7.569 91 3HZ LYS 13 3HZ LYS 13 2.284 2.343 -8.124 92 H LYS 14 H LYS 14 -3.343 3.879 -6.156 93 HA LYS 14 HA LYS 14 -4.930 6.006 -4.836 94 1HB LYS 14 2HB LYS 14 -5.900 3.187 -5.255 95 2HB LYS 14 1HB LYS 14 -6.796 4.683 -5.198 96 1HG LYS 14 2HG LYS 14 -5.004 3.790 -7.490 97 2HG LYS 14 1HG LYS 14 -6.751 3.757 -7.484 98 1HD LYS 14 2HD LYS 14 -6.826 6.236 -7.307 99 2HD LYS 14 1HD LYS 14 -5.069 6.292 -7.298 100 1HE LYS 14 2HE LYS 14 -5.008 5.194 -9.530 101 2HE LYS 14 1HE LYS 14 -6.764 5.127 -9.551 102 1HZ LYS 14 1HZ LYS 14 -5.024 7.500 -9.646 103 2HZ LYS 14 2HZ LYS 14 -6.676 7.610 -9.264 104 3HZ LYS 14 3HZ LYS 14 -6.191 6.994 -10.771 105 H CYS 15 H CYS 15 -5.774 5.652 -2.764 106 HA CYS 15 HA CYS 15 -4.715 3.396 -1.157 107 1HB CYS 15 2HB CYS 15 -3.832 4.775 0.551 108 2HB CYS 15 1HB CYS 15 -3.107 5.260 -0.951 109 H ARG 16 H ARG 16 -6.232 2.565 -0.005 110 HA ARG 16 HA ARG 16 -8.824 3.903 0.407 111 1HB ARG 16 2HB ARG 16 -7.851 1.154 1.334 112 2HB ARG 16 1HB ARG 16 -9.516 1.705 1.311 113 1HG ARG 16 2HG ARG 16 -9.453 1.914 -1.150 114 2HG ARG 16 1HG ARG 16 -7.767 1.424 -1.173 115 1HD ARG 16 2HD ARG 16 -8.373 -0.779 -0.198 116 2HD ARG 16 1HD ARG 16 -10.068 -0.313 -0.160 117 HE ARG 16 HE ARG 16 -8.522 -1.091 -2.518 118 1HH1 ARG 16 1HH1 ARG 16 -11.293 0.624 -1.330 119 2HH1 ARG 16 2HH1 ARG 16 -12.149 0.502 -2.830 120 1HH2 ARG 16 1HH2 ARG 16 -9.587 -1.249 -4.422 121 2HH2 ARG 16 2HH2 ARG 16 -11.170 -0.571 -4.606 122 H ARG 17 H ARG 17 -6.264 2.444 2.254 123 HA ARG 17 HA ARG 17 -6.804 4.176 4.624 124 1HB ARG 17 2HB ARG 17 -6.055 2.274 6.046 125 2HB ARG 17 1HB ARG 17 -7.473 1.821 5.118 126 1HG ARG 17 2HG ARG 17 -6.090 0.619 3.485 127 2HG ARG 17 1HG ARG 17 -4.608 1.178 4.245 128 1HD ARG 17 2HD ARG 17 -5.233 -0.079 6.311 129 2HD ARG 17 1HD ARG 17 -6.665 -0.692 5.475 130 HE ARG 17 HE ARG 17 -4.463 -1.225 3.800 131 1HH1 ARG 17 1HH1 ARG 17 -5.583 -2.072 6.968 132 2HH1 ARG 17 2HH1 ARG 17 -4.811 -3.622 6.951 133 1HH2 ARG 17 1HH2 ARG 17 -3.477 -3.176 3.752 134 2HH2 ARG 17 2HH2 ARG 17 -3.599 -4.258 5.100 135 H ASP 18 H ASP 18 -4.773 4.275 6.011 136 HA ASP 18 HA ASP 18 -2.679 5.463 4.677 137 1HB ASP 18 2HB ASP 18 -2.966 4.143 7.361 138 2HB ASP 18 1HB ASP 18 -1.484 4.933 6.906 139 H SER 19 H SER 19 -2.810 2.139 5.810 140 HA SER 19 HA SER 19 -0.212 1.529 4.570 141 1HB SER 19 2HB SER 19 -0.477 -0.593 5.682 142 2HB SER 19 1HB SER 19 -0.832 0.770 6.780 143 HG SER 19 HG SER 19 -3.090 0.447 5.940 144 H ASP 20 H ASP 20 -2.494 2.141 2.964 145 HA ASP 20 HA ASP 20 -3.062 -0.367 1.436 146 1HB ASP 20 2HB ASP 20 -4.853 1.394 1.965 147 2HB ASP 20 1HB ASP 20 -4.060 2.415 0.786 148 H CYS 21 H CYS 21 -1.070 2.355 1.514 149 HA CYS 21 HA CYS 21 -0.330 2.372 -1.333 150 1HB CYS 21 2HB CYS 21 -0.464 4.451 -0.033 151 2HB CYS 21 1HB CYS 21 0.851 3.891 0.979 152 HA PRO 22 HA PRO 22 3.217 -0.340 -0.474 153 1HB PRO 22 2HB PRO 22 4.681 0.538 -2.802 154 2HB PRO 22 1HB PRO 22 3.758 -0.943 -2.599 155 1HG PRO 22 2HG PRO 22 3.070 1.215 -4.279 156 2HG PRO 22 1HG PRO 22 2.009 -0.112 -3.825 157 1HD PRO 22 2HD PRO 22 2.086 2.674 -2.779 158 2HD PRO 22 1HD PRO 22 0.713 1.564 -2.844 159 H GLY 23 H GLY 23 5.596 -0.124 -0.140 160 1HA GLY 23 2HA GLY 23 7.501 1.030 0.673 161 2HA GLY 23 1HA GLY 23 6.799 2.512 0.028 162 H ALA 24 H ALA 24 7.728 3.370 1.949 163 HA ALA 24 HA ALA 24 6.488 2.772 4.542 164 1HB ALA 24 1HB ALA 24 8.879 3.386 4.346 165 2HB ALA 24 2HB ALA 24 8.028 4.570 5.330 166 3HB ALA 24 3HB ALA 24 8.435 4.939 3.657 167 H CYS 25 H CYS 25 5.175 3.964 2.031 168 HA CYS 25 HA CYS 25 4.235 6.586 2.631 169 1HB CYS 25 2HB CYS 25 3.007 4.418 0.952 170 2HB CYS 25 1HB CYS 25 2.506 6.081 0.910 171 H ILE 26 H ILE 26 2.129 7.258 2.942 172 HA ILE 26 HA ILE 26 0.397 5.533 4.669 173 HB ILE 26 HB ILE 26 -0.059 8.195 5.520 174 1HG1 ILE 26 2HG1 ILE 26 2.192 8.862 4.400 175 2HG1 ILE 26 1HG1 ILE 26 1.913 9.353 6.045 176 1HG2 ILE 26 1HG2 ILE 26 1.669 6.097 6.819 177 2HG2 ILE 26 2HG2 ILE 26 -0.068 6.285 6.960 178 3HG2 ILE 26 3HG2 ILE 26 0.991 7.507 7.624 179 1HD1 ILE 26 1HD1 ILE 26 3.381 7.492 6.823 180 2HD1 ILE 26 2HD1 ILE 26 4.218 8.525 5.686 181 3HD1 ILE 26 3HD1 ILE 26 3.610 6.969 5.163 182 H CYS 27 H CYS 27 -1.819 7.226 4.672 183 HA CYS 27 HA CYS 27 -2.313 7.561 1.731 184 1HB CYS 27 2HB CYS 27 -3.515 5.790 2.785 185 2HB CYS 27 1HB CYS 27 -4.246 6.886 3.930 186 H ARG 28 H ARG 28 -2.836 9.341 0.916 187 HA ARG 28 HA ARG 28 -3.005 11.817 2.407 188 1HB ARG 28 2HB ARG 28 -3.703 11.187 -0.456 189 2HB ARG 28 1HB ARG 28 -3.621 12.813 0.155 190 1HG ARG 28 2HG ARG 28 -1.210 10.996 0.367 191 2HG ARG 28 1HG ARG 28 -1.553 11.835 -1.131 192 1HD ARG 28 2HD ARG 28 -0.005 13.195 0.233 193 2HD ARG 28 1HD ARG 28 -1.560 14.011 0.105 194 HE ARG 28 HE ARG 28 -1.113 12.271 2.457 195 1HH1 ARG 28 1HH1 ARG 28 -1.324 15.483 1.146 196 2HH1 ARG 28 2HH1 ARG 28 -1.525 16.209 2.704 197 1HH2 ARG 28 1HH2 ARG 28 -1.360 13.176 4.413 198 2HH2 ARG 28 2HH2 ARG 28 -1.543 14.891 4.578 199 H GLY 29 H GLY 29 -4.787 13.365 1.910 200 1HA GLY 29 2HA GLY 29 -7.270 12.292 3.010 201 2HA GLY 29 1HA GLY 29 -6.946 13.977 2.624 202 H ASN 30 H ASN 30 -6.065 12.775 -0.120 203 HA ASN 30 HA ASN 30 -8.720 13.142 -1.383 204 1HB ASN 30 2HB ASN 30 -7.440 13.272 -3.504 205 2HB ASN 30 1HB ASN 30 -6.775 14.365 -2.305 206 1HD2 ASN 30 1HD2 ASN 30 -4.975 13.949 -4.140 207 2HD2 ASN 30 2HD2 ASN 30 -3.828 12.766 -3.730 208 H GLY 31 H GLY 31 -6.861 10.561 -0.344 209 1HA GLY 31 2HA GLY 31 -7.538 8.277 -0.408 210 2HA GLY 31 1HA GLY 31 -8.566 8.622 -1.795 211 H TYR 32 H TYR 32 -5.233 9.584 -1.480 212 HA TYR 32 HA TYR 32 -4.305 7.501 -3.396 213 1HB TYR 32 2HB TYR 32 -3.682 10.471 -3.634 214 2HB TYR 32 1HB TYR 32 -2.931 9.224 -4.580 215 HD1 TYR 32 HD1 TYR 32 -6.436 10.426 -3.824 216 HD2 TYR 32 HD2 TYR 32 -3.737 8.808 -6.690 217 HE1 TYR 32 HE1 TYR 32 -8.170 10.570 -5.536 218 HE2 TYR 32 HE2 TYR 32 -5.468 8.961 -8.397 219 HH TYR 32 HH TYR 32 -7.958 9.003 -8.497 220 H CYS 33 H CYS 33 -2.104 7.190 -3.356 221 HA CYS 33 HA CYS 33 -0.916 6.995 -0.823 222 1HB CYS 33 2HB CYS 33 0.246 7.022 -3.601 223 2HB CYS 33 1HB CYS 33 1.342 6.984 -2.263 224 H GLY 34 H GLY 34 0.726 7.992 0.263 225 1HA GLY 34 2HA GLY 34 2.435 9.934 -0.012 226 2HA GLY 34 1HA GLY 34 0.989 10.923 -0.244
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