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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4446 |
1f7e ![]() ![]() |
cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 45 1H SER 45 -1.581 -21.190 -9.571 2 2H SER 45 2H SER 45 -0.287 -21.221 -10.670 3 3H SER 45 3H SER 45 -0.611 -19.814 -9.774 4 HA SER 45 HA SER 45 -1.414 -19.502 -12.017 5 1HB SER 45 1HB SER 45 -1.534 -22.003 -12.339 6 2HB SER 45 2HB SER 45 -3.034 -21.997 -11.416 7 HG SER 45 HG SER 45 -2.521 -21.190 -13.996 8 H ASP 46 H ASP 46 -2.603 -17.695 -11.554 9 HA ASP 46 HA ASP 46 -5.327 -17.942 -10.506 10 1HB ASP 46 1HB ASP 46 -4.851 -16.540 -8.502 11 2HB ASP 46 2HB ASP 46 -3.976 -18.069 -8.456 12 H GLY 47 H GLY 47 -4.635 -16.961 -12.948 13 1HA GLY 47 1HA GLY 47 -5.246 -15.081 -14.257 14 2HA GLY 47 2HA GLY 47 -5.468 -14.157 -12.769 15 H ASP 48 H ASP 48 -3.300 -14.894 -15.341 16 HA ASP 48 HA ASP 48 -0.942 -13.713 -14.000 17 1HB ASP 48 1HB ASP 48 -1.605 -15.329 -16.370 18 2HB ASP 48 2HB ASP 48 -0.364 -14.116 -16.681 19 H GLN 49 H GLN 49 -2.078 -11.567 -13.724 20 HA GLN 49 HA GLN 49 -2.588 -9.999 -16.177 21 1HB GLN 49 1HB GLN 49 -2.684 -9.365 -13.208 22 2HB GLN 49 2HB GLN 49 -3.256 -8.290 -14.484 23 1HG GLN 49 1HG GLN 49 -4.290 -11.107 -14.050 24 2HG GLN 49 2HG GLN 49 -5.086 -9.656 -13.439 25 1HE2 GLN 49 2HE2 GLN 49 -4.177 -11.363 -16.436 26 2HE2 GLN 49 1HE2 GLN 49 -5.256 -10.520 -17.439 27 H CYS 50 H CYS 50 -0.194 -10.203 -13.570 28 HA CYS 50 HA CYS 50 1.289 -7.836 -14.480 29 1HB CYS 50 1HB CYS 50 1.076 -8.567 -12.106 30 2HB CYS 50 2HB CYS 50 1.966 -10.038 -12.501 31 H ALA 51 H ALA 51 1.350 -11.290 -15.062 32 HA ALA 51 HA ALA 51 4.032 -11.708 -15.865 33 1HB ALA 51 1HB ALA 51 1.763 -13.174 -15.694 34 2HB ALA 51 2HB ALA 51 1.852 -12.974 -17.444 35 3HB ALA 51 3HB ALA 51 3.189 -13.726 -16.573 36 H SER 52 H SER 52 1.503 -9.899 -17.460 37 HA SER 52 HA SER 52 2.849 -9.948 -20.089 38 1HB SER 52 1HB SER 52 0.271 -9.816 -19.289 39 2HB SER 52 2HB SER 52 0.608 -8.096 -19.463 40 HG SER 52 HG SER 52 0.984 -10.135 -21.407 41 H SER 53 H SER 53 3.458 -8.278 -17.262 42 HA SER 53 HA SER 53 4.536 -6.239 -16.767 43 1HB SER 53 1HB SER 53 5.393 -6.747 -19.633 44 2HB SER 53 2HB SER 53 6.174 -5.597 -18.552 45 HG SER 53 HG SER 53 7.301 -7.448 -18.299 46 HA PRO 54 HA PRO 54 1.387 -3.894 -19.418 47 1HB PRO 54 1HB PRO 54 -0.563 -3.508 -17.538 48 2HB PRO 54 2HB PRO 54 -0.538 -4.907 -18.630 49 1HG PRO 54 1HG PRO 54 0.284 -4.719 -15.779 50 2HG PRO 54 2HG PRO 54 -0.542 -6.030 -16.633 51 1HD PRO 54 1HD PRO 54 2.121 -6.057 -16.019 52 2HD PRO 54 2HD PRO 54 1.411 -6.945 -17.385 53 H CYS 55 H CYS 55 2.636 -3.583 -16.149 54 HA CYS 55 HA CYS 55 2.056 -0.841 -15.623 55 1HB CYS 55 1HB CYS 55 4.443 -2.558 -14.856 56 2HB CYS 55 2HB CYS 55 3.975 -1.058 -14.055 57 H GLN 56 H GLN 56 2.498 0.676 -17.214 58 HA GLN 56 HA GLN 56 4.953 0.551 -18.831 59 1HB GLN 56 1HB GLN 56 2.407 1.445 -19.202 60 2HB GLN 56 2HB GLN 56 3.221 2.958 -18.807 61 1HG GLN 56 1HG GLN 56 3.612 2.918 -21.077 62 2HG GLN 56 2HG GLN 56 5.023 2.011 -20.531 63 1HE2 GLN 56 2HE2 GLN 56 1.559 1.308 -21.309 64 2HE2 GLN 56 1HE2 GLN 56 1.892 -0.130 -22.145 65 H ASN 57 H ASN 57 5.572 3.261 -19.050 66 HA ASN 57 HA ASN 57 6.967 4.897 -18.083 67 1HB ASN 57 1HB ASN 57 5.256 4.266 -15.658 68 2HB ASN 57 2HB ASN 57 6.133 5.763 -15.954 69 1HD2 ASN 57 2HD2 ASN 57 5.395 5.809 -18.877 70 2HD2 ASN 57 1HD2 ASN 57 3.755 6.236 -18.919 71 H GLY 58 H GLY 58 7.622 1.895 -17.701 72 1HA GLY 58 1HA GLY 58 9.323 0.663 -16.659 73 2HA GLY 58 2HA GLY 58 10.058 2.217 -16.269 74 H GLY 59 H GLY 59 6.849 1.217 -15.197 75 1HA GLY 59 1HA GLY 59 7.641 1.693 -12.406 76 2HA GLY 59 2HA GLY 59 6.013 1.315 -12.973 77 H SER 60 H SER 60 6.995 0.020 -10.725 78 HA SER 60 HA SER 60 8.041 -2.625 -11.546 79 1HB SER 60 1HB SER 60 8.186 -0.959 -9.289 80 2HB SER 60 2HB SER 60 7.186 -2.313 -8.772 81 HG SER 60 HG SER 60 9.692 -2.529 -10.097 82 H CYS 61 H CYS 61 6.664 -4.265 -12.069 83 HA CYS 61 HA CYS 61 3.768 -3.994 -11.532 84 1HB CYS 61 1HB CYS 61 4.703 -4.634 -13.748 85 2HB CYS 61 2HB CYS 61 5.401 -6.079 -13.017 86 H LYS 62 H LYS 62 2.739 -5.089 -9.918 87 HA LYS 62 HA LYS 62 4.121 -7.430 -8.652 88 1HB LYS 62 1HB LYS 62 3.969 -4.938 -7.563 89 2HB LYS 62 2HB LYS 62 2.469 -5.638 -6.956 90 1HG LYS 62 1HG LYS 62 4.095 -7.703 -6.442 91 2HG LYS 62 2HG LYS 62 5.291 -6.408 -6.371 92 1HD LYS 62 1HD LYS 62 3.921 -5.207 -4.723 93 2HD LYS 62 2HD LYS 62 2.692 -6.469 -4.810 94 1HE LYS 62 1HE LYS 62 4.116 -8.083 -3.793 95 2HE LYS 62 2HE LYS 62 5.561 -7.086 -4.059 96 1HZ LYS 62 1HZ LYS 62 3.238 -6.312 -2.373 97 2HZ LYS 62 2HZ LYS 62 4.725 -6.879 -1.777 98 3HZ LYS 62 3HZ LYS 62 4.654 -5.402 -2.607 99 H ASP 63 H ASP 63 2.732 -9.144 -8.189 100 HA ASP 63 HA ASP 63 0.015 -9.037 -9.296 101 1HB ASP 63 1HB ASP 63 0.069 -11.453 -8.727 102 2HB ASP 63 2HB ASP 63 1.519 -10.967 -9.603 103 H GLN 64 H GLN 64 -1.878 -8.907 -8.111 104 HA GLN 64 HA GLN 64 -1.699 -9.077 -5.124 105 1HB GLN 64 1HB GLN 64 -2.822 -6.899 -6.900 106 2HB GLN 64 2HB GLN 64 -3.297 -7.055 -5.208 107 1HG GLN 64 1HG GLN 64 -0.419 -6.843 -6.131 108 2HG GLN 64 2HG GLN 64 -1.379 -5.464 -5.589 109 1HE2 GLN 64 2HE2 GLN 64 -2.009 -5.393 -3.302 110 2HE2 GLN 64 1HE2 GLN 64 -1.230 -6.365 -2.149 111 H LEU 65 H LEU 65 -2.649 -11.276 -5.840 112 HA LEU 65 HA LEU 65 -4.504 -12.724 -6.040 113 1HB LEU 65 1HB LEU 65 -5.019 -10.670 -4.196 114 2HB LEU 65 2HB LEU 65 -6.481 -10.754 -5.174 115 HG LEU 65 HG LEU 65 -6.653 -12.266 -3.247 116 1HD1 LEU 65 1HD1 LEU 65 -7.637 -12.888 -5.493 117 2HD1 LEU 65 2HD1 LEU 65 -6.217 -13.900 -5.761 118 3HD1 LEU 65 3HD1 LEU 65 -7.316 -14.257 -4.428 119 1HD2 LEU 65 1HD2 LEU 65 -3.939 -13.014 -4.150 120 2HD2 LEU 65 2HD2 LEU 65 -4.650 -13.089 -2.540 121 3HD2 LEU 65 3HD2 LEU 65 -4.962 -14.379 -3.701 122 H GLN 66 H GLN 66 -4.707 -12.932 -8.300 123 HA GLN 66 HA GLN 66 -5.771 -12.758 -10.392 124 1HB GLN 66 1HB GLN 66 -7.683 -12.092 -8.356 125 2HB GLN 66 2HB GLN 66 -7.964 -11.029 -9.734 126 1HG GLN 66 1HG GLN 66 -7.794 -13.174 -11.171 127 2HG GLN 66 2HG GLN 66 -8.008 -14.044 -9.652 128 1HE2 GLN 66 2HE2 GLN 66 -10.107 -14.021 -8.670 129 2HE2 GLN 66 1HE2 GLN 66 -11.455 -13.292 -9.400 130 H SER 67 H SER 67 -6.757 -9.580 -9.105 131 HA SER 67 HA SER 67 -5.993 -8.131 -11.449 132 1HB SER 67 1HB SER 67 -6.509 -6.206 -10.092 133 2HB SER 67 2HB SER 67 -7.597 -7.493 -9.580 134 HG SER 67 HG SER 67 -5.592 -6.222 -8.218 135 H TYR 68 H TYR 68 -4.444 -5.999 -10.627 136 HA TYR 68 HA TYR 68 -1.915 -7.063 -9.494 137 1HB TYR 68 1HB TYR 68 -0.681 -6.319 -11.534 138 2HB TYR 68 2HB TYR 68 -1.834 -7.604 -11.887 139 HD1 TYR 68 HD1 TYR 68 -3.968 -7.102 -13.042 140 HD2 TYR 68 HD2 TYR 68 -1.001 -4.070 -12.369 141 HE1 TYR 68 HE1 TYR 68 -5.086 -5.639 -14.703 142 HE2 TYR 68 HE2 TYR 68 -2.119 -2.608 -14.029 143 HH TYR 68 HH TYR 68 -5.238 -3.218 -15.210 144 H ILE 69 H ILE 69 -0.236 -5.177 -9.509 145 HA ILE 69 HA ILE 69 -1.528 -2.503 -9.269 146 HB ILE 69 HB ILE 69 -1.633 -3.610 -7.066 147 1HG1 ILE 69 1HG1 ILE 69 0.573 -1.529 -7.104 148 2HG1 ILE 69 2HG1 ILE 69 -1.145 -1.151 -7.240 149 1HG2 ILE 69 1HG2 ILE 69 0.386 -5.097 -7.572 150 2HG2 ILE 69 2HG2 ILE 69 1.389 -3.718 -7.124 151 3HG2 ILE 69 3HG2 ILE 69 0.300 -4.439 -5.939 152 1HD1 ILE 69 1HD1 ILE 69 -1.221 -2.712 -5.043 153 2HD1 ILE 69 2HD1 ILE 69 0.412 -2.067 -4.877 154 3HD1 ILE 69 3HD1 ILE 69 -0.965 -0.968 -4.960 155 H CYS 70 H CYS 70 -0.261 -1.117 -10.427 156 HA CYS 70 HA CYS 70 2.534 -1.850 -11.065 157 1HB CYS 70 1HB CYS 70 0.623 0.332 -11.947 158 2HB CYS 70 2HB CYS 70 2.269 0.179 -12.561 159 H PHE 71 H PHE 71 4.290 -0.852 -10.148 160 HA PHE 71 HA PHE 71 3.796 1.309 -8.144 161 1HB PHE 71 1HB PHE 71 5.906 -0.790 -8.632 162 2HB PHE 71 2HB PHE 71 6.246 0.585 -7.582 163 HD1 PHE 71 HD1 PHE 71 4.633 1.058 -5.646 164 HD2 PHE 71 HD2 PHE 71 4.655 -2.633 -7.842 165 HE1 PHE 71 HE1 PHE 71 3.409 -0.051 -3.795 166 HE2 PHE 71 HE2 PHE 71 3.431 -3.741 -5.992 167 HZ PHE 71 HZ PHE 71 2.808 -2.450 -3.968 168 H CYS 72 H CYS 72 3.556 2.617 -10.328 169 HA CYS 72 HA CYS 72 6.036 3.272 -11.737 170 1HB CYS 72 1HB CYS 72 3.235 4.431 -11.708 171 2HB CYS 72 2HB CYS 72 4.492 4.913 -12.851 172 H LEU 73 H LEU 73 6.031 5.960 -12.023 173 HA LEU 73 HA LEU 73 7.117 6.921 -9.489 174 1HB LEU 73 1HB LEU 73 7.019 7.653 -12.328 175 2HB LEU 73 2HB LEU 73 6.913 9.059 -11.268 176 HG LEU 73 HG LEU 73 8.923 8.112 -10.025 177 1HD1 LEU 73 1HD1 LEU 73 8.818 6.260 -12.415 178 2HD1 LEU 73 2HD1 LEU 73 10.311 6.552 -11.522 179 3HD1 LEU 73 3HD1 LEU 73 8.924 5.828 -10.707 180 1HD2 LEU 73 1HD2 LEU 73 9.002 9.050 -12.888 181 2HD2 LEU 73 2HD2 LEU 73 9.395 9.948 -11.421 182 3HD2 LEU 73 3HD2 LEU 73 10.498 8.708 -12.017 183 HA PRO 74 HA PRO 74 3.541 8.874 -7.844 184 1HB PRO 74 1HB PRO 74 4.539 11.228 -6.848 185 2HB PRO 74 2HB PRO 74 4.798 9.650 -6.075 186 1HG PRO 74 1HG PRO 74 6.613 11.194 -7.875 187 2HG PRO 74 2HG PRO 74 6.989 10.312 -6.384 188 1HD PRO 74 1HD PRO 74 7.500 9.274 -8.813 189 2HD PRO 74 2HD PRO 74 6.999 8.257 -7.442 190 H ALA 75 H ALA 75 5.308 10.369 -10.407 191 HA ALA 75 HA ALA 75 3.272 12.504 -10.787 192 1HB ALA 75 1HB ALA 75 5.871 11.813 -12.197 193 2HB ALA 75 2HB ALA 75 4.901 13.252 -12.514 194 3HB ALA 75 3HB ALA 75 5.670 13.035 -10.941 195 H PHE 76 H PHE 76 2.964 9.417 -11.327 196 HA PHE 76 HA PHE 76 2.040 9.707 -14.173 197 1HB PHE 76 1HB PHE 76 3.251 7.378 -12.657 198 2HB PHE 76 2HB PHE 76 2.558 7.232 -14.272 199 HD1 PHE 76 HD1 PHE 76 5.077 9.194 -12.324 200 HD2 PHE 76 HD2 PHE 76 3.863 7.709 -16.164 201 HE1 PHE 76 HE1 PHE 76 7.205 10.000 -13.306 202 HE2 PHE 76 HE2 PHE 76 5.996 8.508 -17.148 203 HZ PHE 76 HZ PHE 76 7.667 9.655 -15.715 204 H GLU 77 H GLU 77 0.136 8.359 -14.700 205 HA GLU 77 HA GLU 77 -1.462 7.350 -12.411 206 1HB GLU 77 1HB GLU 77 -1.700 9.946 -13.196 207 2HB GLU 77 2HB GLU 77 -2.882 9.184 -14.261 208 1HG GLU 77 1HG GLU 77 -4.242 9.502 -12.437 209 2HG GLU 77 2HG GLU 77 -3.544 7.953 -11.966 210 H GLY 78 H GLY 78 -3.593 6.400 -13.314 211 1HA GLY 78 1HA GLY 78 -4.769 5.506 -15.300 212 2HA GLY 78 2HA GLY 78 -3.194 5.326 -16.075 213 H ARG 79 H ARG 79 -5.274 3.264 -15.508 214 HA ARG 79 HA ARG 79 -4.565 1.556 -13.339 215 1HB ARG 79 1HB ARG 79 -6.595 1.401 -14.777 216 2HB ARG 79 2HB ARG 79 -5.582 0.854 -16.114 217 1HG ARG 79 1HG ARG 79 -6.151 -1.212 -15.298 218 2HG ARG 79 2HG ARG 79 -4.790 -0.898 -14.220 219 1HD ARG 79 1HD ARG 79 -6.798 0.360 -12.858 220 2HD ARG 79 2HD ARG 79 -7.687 -0.981 -13.608 221 HE ARG 79 HE ARG 79 -5.323 -2.131 -12.656 222 1HH1 ARG 79 1HH1 ARG 79 -7.721 -0.098 -11.150 223 2HH1 ARG 79 2HH1 ARG 79 -7.699 -0.989 -9.668 224 1HH2 ARG 79 1HH2 ARG 79 -5.420 -3.347 -10.766 225 2HH2 ARG 79 2HH2 ARG 79 -6.410 -2.810 -9.450 226 H ASN 80 H ASN 80 -3.396 1.594 -16.714 227 HA ASN 80 HA ASN 80 -1.248 -0.348 -15.983 228 1HB ASN 80 1HB ASN 80 -2.429 0.678 -18.580 229 2HB ASN 80 2HB ASN 80 -1.028 -0.391 -18.523 230 1HD2 ASN 80 2HD2 ASN 80 -1.692 -2.208 -16.532 231 2HD2 ASN 80 1HD2 ASN 80 -3.113 -3.041 -16.941 232 H CYS 81 H CYS 81 -1.318 2.620 -15.302 233 HA CYS 81 HA CYS 81 0.161 4.453 -15.301 234 1HB CYS 81 1HB CYS 81 1.851 2.042 -15.930 235 2HB CYS 81 2HB CYS 81 2.585 3.640 -15.847 236 H GLU 82 H GLU 82 -1.377 4.519 -17.547 237 HA GLU 82 HA GLU 82 0.533 5.013 -19.806 238 1HB GLU 82 1HB GLU 82 -1.511 4.722 -21.210 239 2HB GLU 82 2HB GLU 82 -1.182 3.307 -20.213 240 1HG GLU 82 1HG GLU 82 -3.042 3.622 -18.914 241 2HG GLU 82 2HG GLU 82 -2.924 5.380 -18.986 242 H THR 83 H THR 83 -0.357 6.841 -17.453 243 HA THR 83 HA THR 83 -1.075 9.178 -19.177 244 HB THR 83 HB THR 83 -2.335 8.430 -16.518 245 HG1 THR 83 HG1 THR 83 -3.592 7.277 -17.713 246 1HG2 THR 83 1HG2 THR 83 -2.198 10.862 -16.944 247 2HG2 THR 83 2HG2 THR 83 -2.993 10.627 -18.501 248 3HG2 THR 83 3HG2 THR 83 -3.865 10.290 -17.005 249 H HIS 84 H HIS 84 0.595 10.598 -18.885 250 HA HIS 84 HA HIS 84 2.247 10.545 -16.449 251 1HB HIS 84 1HB HIS 84 3.132 10.811 -18.768 252 2HB HIS 84 2HB HIS 84 2.272 12.344 -18.895 253 HD1 HIS 84 HD1 HIS 84 5.522 11.157 -18.183 254 HD2 HIS 84 HD2 HIS 84 3.095 14.049 -16.417 255 HE1 HIS 84 HE1 HIS 84 7.060 12.666 -16.853 256 H LYS 85 H LYS 85 1.093 11.431 -14.715 257 HA LYS 85 HA LYS 85 -0.333 14.019 -15.097 258 1HB LYS 85 1HB LYS 85 -0.242 11.829 -13.026 259 2HB LYS 85 2HB LYS 85 -0.947 13.398 -12.631 260 1HG LYS 85 1HG LYS 85 -1.772 11.742 -15.031 261 2HG LYS 85 2HG LYS 85 -2.617 11.711 -13.482 262 1HD LYS 85 1HD LYS 85 -2.581 14.357 -13.826 263 2HD LYS 85 2HD LYS 85 -2.479 13.889 -15.523 264 1HE LYS 85 1HE LYS 85 -4.501 12.422 -13.906 265 2HE LYS 85 2HE LYS 85 -4.847 14.132 -14.233 266 1HZ LYS 85 1HZ LYS 85 -4.006 12.149 -16.280 267 2HZ LYS 85 2HZ LYS 85 -5.605 12.670 -16.042 268 3HZ LYS 85 3HZ LYS 85 -4.419 13.769 -16.563 269 H ASP 86 H ASP 86 1.527 15.426 -15.233 270 HA ASP 86 HA ASP 86 3.424 15.467 -12.947 271 1HB ASP 86 1HB ASP 86 4.166 15.614 -15.324 272 2HB ASP 86 2HB ASP 86 3.249 17.112 -15.493 273 H ASP 87 H ASP 87 0.947 17.506 -14.492 274 HA ASP 87 HA ASP 87 1.092 19.364 -12.141 275 1HB ASP 87 1HB ASP 87 0.178 21.035 -13.749 276 2HB ASP 87 2HB ASP 87 1.708 20.357 -14.303 277 H GLY 88 H GLY 88 -1.042 17.516 -14.277 278 1HA GLY 88 1HA GLY 88 -3.013 16.489 -13.032 279 2HA GLY 88 2HA GLY 88 -3.318 18.118 -12.428 280 H SER 89 H SER 89 -2.738 19.511 -14.860 281 HA SER 89 HA SER 89 -3.869 20.281 -16.771 282 1HB SER 89 1HB SER 89 -2.886 18.283 -17.718 283 2HB SER 89 2HB SER 89 -4.145 17.270 -17.020 284 HG SER 89 HG SER 89 -4.411 19.257 -19.031 285 H ALA 90 H ALA 90 -6.049 17.490 -16.455 286 HA ALA 90 HA ALA 90 -8.270 19.411 -15.858 287 1HB ALA 90 1HB ALA 90 -7.868 17.070 -17.628 288 2HB ALA 90 2HB ALA 90 -9.435 17.135 -16.822 289 3HB ALA 90 3HB ALA 90 -8.914 18.474 -17.845 Start of MODEL 2 1 1H SER 45 1H SER 45 -9.431 -16.184 -10.086 2 2H SER 45 2H SER 45 -10.160 -17.417 -11.001 3 3H SER 45 3H SER 45 -8.842 -17.772 -9.990 4 HA SER 45 HA SER 45 -8.030 -17.698 -12.231 5 1HB SER 45 1HB SER 45 -9.516 -15.055 -12.192 6 2HB SER 45 2HB SER 45 -8.464 -15.566 -13.509 7 HG SER 45 HG SER 45 -9.927 -16.964 -14.135 8 H ASP 46 H ASP 46 -6.837 -17.319 -9.743 9 HA ASP 46 HA ASP 46 -5.329 -14.770 -9.796 10 1HB ASP 46 1HB ASP 46 -5.345 -17.177 -7.945 11 2HB ASP 46 2HB ASP 46 -4.460 -15.682 -7.640 12 H GLY 47 H GLY 47 -4.745 -16.264 -12.072 13 1HA GLY 47 1HA GLY 47 -2.451 -18.005 -11.679 14 2HA GLY 47 2HA GLY 47 -3.014 -17.372 -13.227 15 H ASP 48 H ASP 48 -1.941 -15.641 -14.113 16 HA ASP 48 HA ASP 48 -0.069 -14.071 -12.396 17 1HB ASP 48 1HB ASP 48 0.780 -16.211 -13.822 18 2HB ASP 48 2HB ASP 48 0.899 -14.965 -15.065 19 H GLN 49 H GLN 49 -0.878 -12.024 -12.714 20 HA GLN 49 HA GLN 49 -2.004 -11.226 -15.331 21 1HB GLN 49 1HB GLN 49 -1.705 -9.907 -12.616 22 2HB GLN 49 2HB GLN 49 -2.489 -9.130 -13.994 23 1HG GLN 49 1HG GLN 49 -4.314 -10.106 -12.918 24 2HG GLN 49 2HG GLN 49 -3.888 -11.355 -14.089 25 1HE2 GLN 49 2HE2 GLN 49 -2.514 -10.447 -10.869 26 2HE2 GLN 49 1HE2 GLN 49 -2.608 -12.016 -10.228 27 H CYS 50 H CYS 50 0.841 -10.623 -13.324 28 HA CYS 50 HA CYS 50 1.847 -8.537 -15.181 29 1HB CYS 50 1HB CYS 50 2.869 -9.744 -12.589 30 2HB CYS 50 2HB CYS 50 3.640 -8.401 -13.432 31 H ALA 51 H ALA 51 1.648 -10.961 -16.510 32 HA ALA 51 HA ALA 51 4.248 -12.365 -16.373 33 1HB ALA 51 1HB ALA 51 1.645 -12.670 -17.873 34 2HB ALA 51 2HB ALA 51 3.053 -13.650 -18.281 35 3HB ALA 51 3HB ALA 51 2.346 -13.750 -16.669 36 H SER 52 H SER 52 2.544 -10.063 -18.446 37 HA SER 52 HA SER 52 4.916 -10.020 -20.288 38 1HB SER 52 1HB SER 52 2.910 -10.725 -21.409 39 2HB SER 52 2HB SER 52 1.965 -9.444 -20.657 40 HG SER 52 HG SER 52 2.445 -8.626 -22.602 41 H SER 53 H SER 53 4.383 -8.473 -17.683 42 HA SER 53 HA SER 53 4.633 -6.265 -16.879 43 1HB SER 53 1HB SER 53 5.954 -5.916 -19.585 44 2HB SER 53 2HB SER 53 6.314 -5.027 -18.108 45 HG SER 53 HG SER 53 7.678 -6.943 -18.753 46 HA PRO 54 HA PRO 54 1.145 -4.736 -19.583 47 1HB PRO 54 1HB PRO 54 -0.712 -4.482 -17.590 48 2HB PRO 54 2HB PRO 54 -0.475 -5.985 -18.503 49 1HG PRO 54 1HG PRO 54 0.495 -5.248 -15.789 50 2HG PRO 54 2HG PRO 54 -0.118 -6.797 -16.387 51 1HD PRO 54 1HD PRO 54 2.534 -6.259 -16.043 52 2HD PRO 54 2HD PRO 54 1.913 -7.421 -17.236 53 H CYS 55 H CYS 55 2.483 -3.743 -16.484 54 HA CYS 55 HA CYS 55 1.403 -1.108 -16.284 55 1HB CYS 55 1HB CYS 55 4.115 -2.205 -15.462 56 2HB CYS 55 2HB CYS 55 3.375 -0.738 -14.826 57 H GLN 56 H GLN 56 2.584 0.947 -16.744 58 HA GLN 56 HA GLN 56 4.440 0.746 -19.093 59 1HB GLN 56 1HB GLN 56 1.907 1.300 -19.456 60 2HB GLN 56 2HB GLN 56 2.335 2.882 -18.805 61 1HG GLN 56 1HG GLN 56 3.592 3.450 -20.636 62 2HG GLN 56 2HG GLN 56 4.132 1.793 -20.908 63 1HE2 GLN 56 2HE2 GLN 56 0.866 3.343 -20.794 64 2HE2 GLN 56 1HE2 GLN 56 0.354 2.702 -22.279 65 H ASN 57 H ASN 57 5.370 3.103 -19.486 66 HA ASN 57 HA ASN 57 6.820 4.776 -18.671 67 1HB ASN 57 1HB ASN 57 4.413 4.791 -16.860 68 2HB ASN 57 2HB ASN 57 5.737 5.924 -16.584 69 1HD2 ASN 57 2HD2 ASN 57 2.978 6.571 -17.532 70 2HD2 ASN 57 1HD2 ASN 57 3.172 7.323 -19.041 71 H GLY 58 H GLY 58 7.568 2.131 -17.888 72 1HA GLY 58 1HA GLY 58 9.029 1.060 -16.399 73 2HA GLY 58 2HA GLY 58 9.430 2.668 -15.798 74 H GLY 59 H GLY 59 6.198 1.234 -15.745 75 1HA GLY 59 1HA GLY 59 6.053 1.708 -12.846 76 2HA GLY 59 2HA GLY 59 4.726 1.167 -13.876 77 H SER 60 H SER 60 5.821 0.069 -11.280 78 HA SER 60 HA SER 60 6.894 -2.578 -12.061 79 1HB SER 60 1HB SER 60 7.234 -0.879 -9.933 80 2HB SER 60 2HB SER 60 6.082 -2.034 -9.270 81 HG SER 60 HG SER 60 8.679 -2.451 -10.280 82 H CYS 61 H CYS 61 5.594 -4.352 -12.325 83 HA CYS 61 HA CYS 61 2.691 -4.100 -11.745 84 1HB CYS 61 1HB CYS 61 3.841 -4.883 -13.942 85 2HB CYS 61 2HB CYS 61 4.117 -6.398 -13.082 86 H LYS 62 H LYS 62 1.685 -5.291 -10.154 87 HA LYS 62 HA LYS 62 3.226 -7.476 -8.805 88 1HB LYS 62 1HB LYS 62 2.292 -4.866 -7.796 89 2HB LYS 62 2HB LYS 62 1.834 -6.228 -6.772 90 1HG LYS 62 1HG LYS 62 4.388 -6.914 -7.230 91 2HG LYS 62 2HG LYS 62 4.545 -5.167 -7.416 92 1HD LYS 62 1HD LYS 62 3.389 -4.885 -5.207 93 2HD LYS 62 2HD LYS 62 3.428 -6.638 -5.012 94 1HE LYS 62 1HE LYS 62 5.934 -5.006 -5.522 95 2HE LYS 62 2HE LYS 62 5.356 -5.404 -3.891 96 1HZ LYS 62 1HZ LYS 62 5.248 -7.757 -4.612 97 2HZ LYS 62 2HZ LYS 62 6.005 -7.317 -6.069 98 3HZ LYS 62 3HZ LYS 62 6.829 -7.134 -4.599 99 H ASP 63 H ASP 63 1.961 -9.272 -8.456 100 HA ASP 63 HA ASP 63 -0.777 -9.353 -9.427 101 1HB ASP 63 1HB ASP 63 -0.608 -11.714 -8.654 102 2HB ASP 63 2HB ASP 63 0.803 -11.234 -9.594 103 H GLN 64 H GLN 64 -2.663 -9.161 -8.249 104 HA GLN 64 HA GLN 64 -2.445 -9.028 -5.260 105 1HB GLN 64 1HB GLN 64 -3.726 -7.197 -7.283 106 2HB GLN 64 2HB GLN 64 -4.318 -7.238 -5.621 107 1HG GLN 64 1HG GLN 64 -1.375 -6.937 -6.169 108 2HG GLN 64 2HG GLN 64 -2.439 -5.533 -6.238 109 1HE2 GLN 64 2HE2 GLN 64 -4.175 -5.832 -4.160 110 2HE2 GLN 64 1HE2 GLN 64 -3.356 -5.985 -2.680 111 H LEU 65 H LEU 65 -3.137 -11.432 -6.037 112 HA LEU 65 HA LEU 65 -4.825 -13.080 -6.043 113 1HB LEU 65 1HB LEU 65 -5.742 -10.798 -4.367 114 2HB LEU 65 2HB LEU 65 -6.963 -11.999 -4.788 115 HG LEU 65 HG LEU 65 -5.033 -13.692 -4.088 116 1HD1 LEU 65 1HD1 LEU 65 -4.365 -11.092 -2.699 117 2HD1 LEU 65 2HD1 LEU 65 -3.894 -12.657 -2.036 118 3HD1 LEU 65 3HD1 LEU 65 -3.285 -12.148 -3.610 119 1HD2 LEU 65 1HD2 LEU 65 -7.021 -12.178 -2.420 120 2HD2 LEU 65 2HD2 LEU 65 -7.041 -13.872 -2.910 121 3HD2 LEU 65 3HD2 LEU 65 -5.944 -13.336 -1.637 122 H GLN 66 H GLN 66 -5.404 -13.357 -8.209 123 HA GLN 66 HA GLN 66 -6.705 -13.182 -10.174 124 1HB GLN 66 1HB GLN 66 -8.337 -13.708 -8.258 125 2HB GLN 66 2HB GLN 66 -8.768 -11.998 -8.305 126 1HG GLN 66 1HG GLN 66 -8.960 -12.552 -10.933 127 2HG GLN 66 2HG GLN 66 -9.334 -14.149 -10.283 128 1HE2 GLN 66 2HE2 GLN 66 -10.725 -13.466 -7.925 129 2HE2 GLN 66 1HE2 GLN 66 -12.150 -12.639 -8.332 130 H SER 67 H SER 67 -5.094 -10.782 -9.258 131 HA SER 67 HA SER 67 -6.087 -8.888 -11.240 132 1HB SER 67 1HB SER 67 -7.646 -8.376 -9.472 133 2HB SER 67 2HB SER 67 -6.363 -8.375 -8.265 134 HG SER 67 HG SER 67 -7.137 -6.429 -10.054 135 H TYR 68 H TYR 68 -4.709 -6.733 -10.937 136 HA TYR 68 HA TYR 68 -2.002 -7.382 -9.845 137 1HB TYR 68 1HB TYR 68 -1.041 -6.522 -11.979 138 2HB TYR 68 2HB TYR 68 -2.042 -7.950 -12.233 139 HD1 TYR 68 HD1 TYR 68 -1.842 -4.282 -12.632 140 HD2 TYR 68 HD2 TYR 68 -4.176 -7.809 -13.388 141 HE1 TYR 68 HE1 TYR 68 -3.266 -3.003 -14.206 142 HE2 TYR 68 HE2 TYR 68 -5.600 -6.528 -14.963 143 HH TYR 68 HH TYR 68 -5.276 -4.403 -16.419 144 H ILE 69 H ILE 69 -0.600 -5.313 -9.953 145 HA ILE 69 HA ILE 69 -2.159 -2.794 -9.740 146 HB ILE 69 HB ILE 69 -2.197 -3.870 -7.515 147 1HG1 ILE 69 1HG1 ILE 69 -0.158 -1.679 -7.270 148 2HG1 ILE 69 2HG1 ILE 69 -1.743 -1.310 -7.951 149 1HG2 ILE 69 1HG2 ILE 69 0.286 -4.841 -8.185 150 2HG2 ILE 69 2HG2 ILE 69 0.698 -3.563 -7.043 151 3HG2 ILE 69 3HG2 ILE 69 -0.392 -4.862 -6.558 152 1HD1 ILE 69 1HD1 ILE 69 -2.515 -2.742 -5.797 153 2HD1 ILE 69 2HD1 ILE 69 -1.007 -2.071 -5.173 154 3HD1 ILE 69 3HD1 ILE 69 -2.282 -0.995 -5.746 155 H CYS 70 H CYS 70 -1.009 -1.381 -10.991 156 HA CYS 70 HA CYS 70 1.863 -1.845 -11.505 157 1HB CYS 70 1HB CYS 70 -0.294 -0.012 -12.561 158 2HB CYS 70 2HB CYS 70 1.391 0.177 -13.043 159 H PHE 71 H PHE 71 3.485 -0.642 -10.601 160 HA PHE 71 HA PHE 71 2.747 1.515 -8.679 161 1HB PHE 71 1HB PHE 71 5.115 -0.289 -9.168 162 2HB PHE 71 2HB PHE 71 5.284 1.146 -8.158 163 HD1 PHE 71 HD1 PHE 71 3.937 1.388 -6.080 164 HD2 PHE 71 HD2 PHE 71 3.866 -2.211 -8.422 165 HE1 PHE 71 HE1 PHE 71 2.916 0.171 -4.177 166 HE2 PHE 71 HE2 PHE 71 2.844 -3.430 -6.518 167 HZ PHE 71 HZ PHE 71 2.369 -2.239 -4.396 168 H CYS 72 H CYS 72 2.402 3.249 -10.170 169 HA CYS 72 HA CYS 72 4.261 3.910 -12.293 170 1HB CYS 72 1HB CYS 72 2.197 5.621 -10.865 171 2HB CYS 72 2HB CYS 72 2.878 5.932 -12.458 172 H LEU 73 H LEU 73 5.294 6.175 -12.302 173 HA LEU 73 HA LEU 73 7.128 6.397 -10.035 174 1HB LEU 73 1HB LEU 73 6.646 7.741 -12.687 175 2HB LEU 73 2HB LEU 73 7.745 8.492 -11.539 176 HG LEU 73 HG LEU 73 8.976 7.036 -13.093 177 1HD1 LEU 73 1HD1 LEU 73 9.580 7.233 -10.597 178 2HD1 LEU 73 2HD1 LEU 73 8.906 5.612 -10.434 179 3HD1 LEU 73 3HD1 LEU 73 10.287 5.891 -11.493 180 1HD2 LEU 73 1HD2 LEU 73 6.912 5.479 -13.341 181 2HD2 LEU 73 2HD2 LEU 73 8.514 4.742 -13.377 182 3HD2 LEU 73 3HD2 LEU 73 7.540 4.664 -11.909 183 HA PRO 74 HA PRO 74 5.050 9.509 -7.715 184 1HB PRO 74 1HB PRO 74 6.948 11.437 -7.252 185 2HB PRO 74 2HB PRO 74 6.929 9.866 -6.424 186 1HG PRO 74 1HG PRO 74 8.548 10.748 -8.770 187 2HG PRO 74 2HG PRO 74 9.034 9.789 -7.361 188 1HD PRO 74 1HD PRO 74 8.503 8.661 -9.747 189 2HD PRO 74 2HD PRO 74 8.147 7.836 -8.213 190 H ALA 75 H ALA 75 6.405 10.328 -10.783 191 HA ALA 75 HA ALA 75 4.812 12.865 -10.873 192 1HB ALA 75 1HB ALA 75 7.410 12.684 -11.234 193 2HB ALA 75 2HB ALA 75 6.960 12.070 -12.825 194 3HB ALA 75 3HB ALA 75 6.459 13.686 -12.331 195 H PHE 76 H PHE 76 3.956 9.947 -11.371 196 HA PHE 76 HA PHE 76 2.844 10.395 -14.120 197 1HB PHE 76 1HB PHE 76 4.226 8.023 -12.877 198 2HB PHE 76 2HB PHE 76 3.080 7.789 -14.196 199 HD1 PHE 76 HD1 PHE 76 6.120 9.756 -13.245 200 HD2 PHE 76 HD2 PHE 76 3.754 8.098 -16.424 201 HE1 PHE 76 HE1 PHE 76 7.866 10.404 -14.883 202 HE2 PHE 76 HE2 PHE 76 5.500 8.745 -18.061 203 HZ PHE 76 HZ PHE 76 7.556 9.897 -17.291 204 H GLU 77 H GLU 77 0.852 9.013 -14.475 205 HA GLU 77 HA GLU 77 -0.569 8.157 -12.011 206 1HB GLU 77 1HB GLU 77 -0.788 10.727 -12.856 207 2HB GLU 77 2HB GLU 77 -2.069 9.983 -13.814 208 1HG GLU 77 1HG GLU 77 -2.619 8.835 -11.453 209 2HG GLU 77 2HG GLU 77 -1.859 10.312 -10.859 210 H GLY 78 H GLY 78 -2.844 7.301 -12.723 211 1HA GLY 78 1HA GLY 78 -4.189 6.380 -14.583 212 2HA GLY 78 2HA GLY 78 -2.681 6.084 -15.449 213 H ARG 79 H ARG 79 -4.771 4.139 -14.749 214 HA ARG 79 HA ARG 79 -4.052 2.487 -12.529 215 1HB ARG 79 1HB ARG 79 -6.149 2.438 -13.943 216 2HB ARG 79 2HB ARG 79 -5.207 1.649 -15.208 217 1HG ARG 79 1HG ARG 79 -6.202 -0.145 -14.025 218 2HG ARG 79 2HG ARG 79 -4.557 -0.069 -13.393 219 1HD ARG 79 1HD ARG 79 -6.017 -0.250 -11.478 220 2HD ARG 79 2HD ARG 79 -5.495 1.446 -11.539 221 HE ARG 79 HE ARG 79 -7.721 1.542 -13.088 222 1HH1 ARG 79 1HH1 ARG 79 -7.096 0.403 -9.855 223 2HH1 ARG 79 2HH1 ARG 79 -8.768 0.419 -9.411 224 1HH2 ARG 79 1HH2 ARG 79 -9.897 1.419 -12.523 225 2HH2 ARG 79 2HH2 ARG 79 -10.339 0.990 -10.905 226 H ASN 80 H ASN 80 -3.039 2.366 -15.954 227 HA ASN 80 HA ASN 80 -0.938 0.361 -15.230 228 1HB ASN 80 1HB ASN 80 -2.397 1.168 -17.748 229 2HB ASN 80 2HB ASN 80 -0.909 0.223 -17.829 230 1HD2 ASN 80 2HD2 ASN 80 -0.929 -1.858 -16.453 231 2HD2 ASN 80 1HD2 ASN 80 -2.401 -2.691 -16.316 232 H CYS 81 H CYS 81 -0.807 3.324 -14.736 233 HA CYS 81 HA CYS 81 0.757 5.077 -14.953 234 1HB CYS 81 1HB CYS 81 2.451 2.830 -16.099 235 2HB CYS 81 2HB CYS 81 3.050 4.332 -15.405 236 H GLU 82 H GLU 82 -1.079 5.147 -16.969 237 HA GLU 82 HA GLU 82 0.534 5.599 -19.459 238 1HB GLU 82 1HB GLU 82 -1.627 5.170 -20.621 239 2HB GLU 82 2HB GLU 82 -1.139 3.806 -19.616 240 1HG GLU 82 1HG GLU 82 -2.705 4.385 -17.904 241 2HG GLU 82 2HG GLU 82 -3.010 5.966 -18.621 242 H THR 83 H THR 83 -0.078 7.470 -17.109 243 HA THR 83 HA THR 83 -1.144 9.715 -18.766 244 HB THR 83 HB THR 83 -2.002 8.981 -15.948 245 HG1 THR 83 HG1 THR 83 -3.436 8.889 -18.390 246 1HG2 THR 83 1HG2 THR 83 -2.733 11.225 -17.832 247 2HG2 THR 83 2HG2 THR 83 -3.779 10.748 -16.495 248 3HG2 THR 83 3HG2 THR 83 -2.150 11.343 -16.172 249 H HIS 84 H HIS 84 0.740 10.934 -18.823 250 HA HIS 84 HA HIS 84 2.545 11.147 -16.527 251 1HB HIS 84 1HB HIS 84 2.872 11.296 -19.174 252 2HB HIS 84 2HB HIS 84 2.592 13.011 -18.869 253 HD1 HIS 84 HD1 HIS 84 5.395 11.911 -19.741 254 HD2 HIS 84 HD2 HIS 84 4.261 12.634 -15.795 255 HE1 HIS 84 HE1 HIS 84 7.536 12.238 -18.428 256 H LYS 85 H LYS 85 2.346 12.630 -14.900 257 HA LYS 85 HA LYS 85 0.258 14.727 -15.089 258 1HB LYS 85 1HB LYS 85 1.951 13.462 -12.940 259 2HB LYS 85 2HB LYS 85 1.070 14.956 -12.617 260 1HG LYS 85 1HG LYS 85 -0.454 12.770 -13.942 261 2HG LYS 85 2HG LYS 85 -0.029 12.524 -12.248 262 1HD LYS 85 1HD LYS 85 -1.109 15.202 -12.964 263 2HD LYS 85 2HD LYS 85 -2.249 13.856 -13.009 264 1HE LYS 85 1HE LYS 85 -2.288 14.794 -10.761 265 2HE LYS 85 2HE LYS 85 -1.449 13.231 -10.675 266 1HZ LYS 85 1HZ LYS 85 -0.047 15.803 -11.150 267 2HZ LYS 85 2HZ LYS 85 -0.243 15.133 -9.601 268 3HZ LYS 85 3HZ LYS 85 0.646 14.295 -10.778 269 H ASP 86 H ASP 86 3.760 14.394 -14.989 270 HA ASP 86 HA ASP 86 4.166 17.310 -14.635 271 1HB ASP 86 1HB ASP 86 5.490 15.197 -13.692 272 2HB ASP 86 2HB ASP 86 6.342 15.340 -15.229 273 H ASP 87 H ASP 87 2.781 16.679 -17.025 274 HA ASP 87 HA ASP 87 4.534 17.882 -19.019 275 1HB ASP 87 1HB ASP 87 4.168 14.956 -18.793 276 2HB ASP 87 2HB ASP 87 3.923 15.599 -20.419 277 H GLY 88 H GLY 88 1.860 15.534 -19.341 278 1HA GLY 88 1HA GLY 88 -0.481 16.199 -19.636 279 2HA GLY 88 2HA GLY 88 0.084 17.757 -20.240 280 H SER 89 H SER 89 1.392 17.642 -22.314 281 HA SER 89 HA SER 89 1.099 15.304 -24.034 282 1HB SER 89 1HB SER 89 -0.899 17.505 -23.965 283 2HB SER 89 2HB SER 89 -0.406 16.961 -25.566 284 HG SER 89 HG SER 89 -0.975 14.856 -24.960 285 H ALA 90 H ALA 90 3.145 15.516 -24.899 286 HA ALA 90 HA ALA 90 4.244 18.162 -25.600 287 1HB ALA 90 1HB ALA 90 5.497 16.246 -24.515 288 2HB ALA 90 2HB ALA 90 5.357 15.376 -26.042 289 3HB ALA 90 3HB ALA 90 6.268 16.884 -25.967 Start of MODEL 3 1 1H SER 45 1H SER 45 -1.938 -20.685 -9.260 2 2H SER 45 2H SER 45 -1.782 -18.997 -9.262 3 3H SER 45 3H SER 45 -1.066 -19.914 -8.023 4 HA SER 45 HA SER 45 -3.158 -20.481 -7.086 5 1HB SER 45 1HB SER 45 -2.906 -17.592 -7.975 6 2HB SER 45 2HB SER 45 -3.992 -18.131 -6.697 7 HG SER 45 HG SER 45 -2.285 -18.660 -5.458 8 H ASP 46 H ASP 46 -3.599 -18.551 -10.070 9 HA ASP 46 HA ASP 46 -5.960 -20.170 -10.797 10 1HB ASP 46 1HB ASP 46 -6.757 -18.427 -9.198 11 2HB ASP 46 2HB ASP 46 -6.123 -17.183 -10.276 12 H GLY 47 H GLY 47 -4.657 -16.928 -11.610 13 1HA GLY 47 1HA GLY 47 -4.060 -17.929 -14.355 14 2HA GLY 47 2HA GLY 47 -5.021 -16.463 -14.157 15 H ASP 48 H ASP 48 -3.317 -15.297 -15.294 16 HA ASP 48 HA ASP 48 -1.103 -14.494 -13.460 17 1HB ASP 48 1HB ASP 48 -0.719 -16.310 -15.439 18 2HB ASP 48 2HB ASP 48 -0.454 -14.819 -16.342 19 H GLN 49 H GLN 49 -1.380 -12.311 -13.249 20 HA GLN 49 HA GLN 49 -2.532 -10.747 -15.513 21 1HB GLN 49 1HB GLN 49 -2.054 -10.174 -12.570 22 2HB GLN 49 2HB GLN 49 -2.807 -9.040 -13.691 23 1HG GLN 49 1HG GLN 49 -4.690 -10.076 -12.812 24 2HG GLN 49 2HG GLN 49 -4.384 -11.099 -14.216 25 1HE2 GLN 49 2HE2 GLN 49 -4.740 -13.233 -13.582 26 2HE2 GLN 49 1HE2 GLN 49 -4.174 -13.926 -12.140 27 H CYS 50 H CYS 50 0.227 -10.719 -13.241 28 HA CYS 50 HA CYS 50 1.561 -8.562 -14.774 29 1HB CYS 50 1HB CYS 50 1.452 -8.695 -12.260 30 2HB CYS 50 2HB CYS 50 2.451 -10.146 -12.344 31 H ALA 51 H ALA 51 1.274 -10.822 -16.374 32 HA ALA 51 HA ALA 51 3.748 -12.435 -16.214 33 1HB ALA 51 1HB ALA 51 1.308 -13.141 -16.833 34 2HB ALA 51 2HB ALA 51 1.692 -12.469 -18.418 35 3HB ALA 51 3HB ALA 51 2.641 -13.810 -17.774 36 H SER 52 H SER 52 2.171 -10.368 -18.692 37 HA SER 52 HA SER 52 4.771 -10.087 -20.104 38 1HB SER 52 1HB SER 52 3.269 -9.036 -21.823 39 2HB SER 52 2HB SER 52 2.782 -10.670 -21.381 40 HG SER 52 HG SER 52 1.319 -8.520 -21.288 41 H SER 53 H SER 53 4.059 -8.690 -17.463 42 HA SER 53 HA SER 53 4.307 -6.548 -16.494 43 1HB SER 53 1HB SER 53 5.900 -6.218 -19.057 44 2HB SER 53 2HB SER 53 6.071 -5.225 -17.612 45 HG SER 53 HG SER 53 7.162 -6.776 -16.693 46 HA PRO 54 HA PRO 54 1.070 -4.688 -19.244 47 1HB PRO 54 1HB PRO 54 -0.759 -4.217 -17.266 48 2HB PRO 54 2HB PRO 54 -0.654 -5.758 -18.138 49 1HG PRO 54 1HG PRO 54 0.365 -5.038 -15.437 50 2HG PRO 54 2HG PRO 54 -0.371 -6.545 -16.002 51 1HD PRO 54 1HD PRO 54 2.316 -6.212 -15.653 52 2HD PRO 54 2HD PRO 54 1.605 -7.363 -16.807 53 H CYS 55 H CYS 55 2.588 -3.726 -16.234 54 HA CYS 55 HA CYS 55 1.702 -1.015 -16.048 55 1HB CYS 55 1HB CYS 55 4.389 -2.240 -15.327 56 2HB CYS 55 2HB CYS 55 3.726 -0.750 -14.664 57 H GLN 56 H GLN 56 2.765 0.937 -16.782 58 HA GLN 56 HA GLN 56 4.510 0.544 -19.196 59 1HB GLN 56 1HB GLN 56 2.468 2.690 -18.526 60 2HB GLN 56 2HB GLN 56 3.421 2.627 -20.007 61 1HG GLN 56 1HG GLN 56 1.927 0.153 -19.322 62 2HG GLN 56 2HG GLN 56 0.948 1.541 -19.796 63 1HE2 GLN 56 1HE2 GLN 56 0.974 2.173 -22.010 64 2HE2 GLN 56 2HE2 GLN 56 1.881 1.367 -23.197 65 H ASN 57 H ASN 57 5.650 2.825 -19.647 66 HA ASN 57 HA ASN 57 7.381 4.278 -18.961 67 1HB ASN 57 1HB ASN 57 5.241 4.475 -16.845 68 2HB ASN 57 2HB ASN 57 6.703 5.456 -16.739 69 1HD2 ASN 57 2HD2 ASN 57 3.661 5.072 -18.418 70 2HD2 ASN 57 1HD2 ASN 57 3.831 6.413 -19.445 71 H GLY 58 H GLY 58 7.606 1.409 -18.179 72 1HA GLY 58 1HA GLY 58 9.053 0.081 -16.899 73 2HA GLY 58 2HA GLY 58 9.922 1.568 -16.521 74 H GLY 59 H GLY 59 6.522 1.225 -15.746 75 1HA GLY 59 1HA GLY 59 6.917 1.901 -12.989 76 2HA GLY 59 2HA GLY 59 5.422 1.256 -13.672 77 H SER 60 H SER 60 6.324 0.442 -11.133 78 HA SER 60 HA SER 60 7.650 -2.185 -11.459 79 1HB SER 60 1HB SER 60 7.447 -0.193 -9.475 80 2HB SER 60 2HB SER 60 6.574 -1.576 -8.825 81 HG SER 60 HG SER 60 8.377 -2.710 -8.791 82 H CYS 61 H CYS 61 6.400 -3.915 -12.003 83 HA CYS 61 HA CYS 61 3.481 -3.876 -11.539 84 1HB CYS 61 1HB CYS 61 4.522 -4.569 -13.688 85 2HB CYS 61 2HB CYS 61 5.338 -5.889 -12.851 86 H LYS 62 H LYS 62 2.473 -5.044 -9.948 87 HA LYS 62 HA LYS 62 4.058 -7.104 -8.454 88 1HB LYS 62 1HB LYS 62 2.758 -4.583 -7.576 89 2HB LYS 62 2HB LYS 62 2.495 -5.978 -6.529 90 1HG LYS 62 1HG LYS 62 5.140 -6.260 -6.956 91 2HG LYS 62 2HG LYS 62 5.012 -4.509 -7.131 92 1HD LYS 62 1HD LYS 62 4.451 -4.191 -4.930 93 2HD LYS 62 2HD LYS 62 3.573 -5.717 -4.826 94 1HE LYS 62 1HE LYS 62 5.698 -6.962 -4.755 95 2HE LYS 62 2HE LYS 62 6.601 -5.441 -4.900 96 1HZ LYS 62 1HZ LYS 62 5.450 -4.639 -2.908 97 2HZ LYS 62 2HZ LYS 62 4.679 -6.141 -2.742 98 3HZ LYS 62 3HZ LYS 62 6.367 -6.032 -2.581 99 H ASP 63 H ASP 63 2.777 -8.839 -7.637 100 HA ASP 63 HA ASP 63 0.132 -9.149 -8.951 101 1HB ASP 63 1HB ASP 63 0.471 -11.521 -8.308 102 2HB ASP 63 2HB ASP 63 1.871 -10.886 -9.170 103 H GLN 64 H GLN 64 -1.760 -9.006 -7.802 104 HA GLN 64 HA GLN 64 -1.627 -9.145 -4.807 105 1HB GLN 64 1HB GLN 64 -2.970 -7.165 -6.663 106 2HB GLN 64 2HB GLN 64 -3.414 -7.308 -4.963 107 1HG GLN 64 1HG GLN 64 -0.584 -6.813 -5.925 108 2HG GLN 64 2HG GLN 64 -1.686 -5.533 -5.415 109 1HE2 GLN 64 2HE2 GLN 64 -2.629 -5.856 -3.112 110 2HE2 GLN 64 1HE2 GLN 64 -1.598 -6.529 -1.944 111 H LEU 65 H LEU 65 -2.371 -11.250 -6.705 112 HA LEU 65 HA LEU 65 -4.054 -12.877 -6.968 113 1HB LEU 65 1HB LEU 65 -4.228 -11.823 -4.376 114 2HB LEU 65 2HB LEU 65 -5.887 -11.776 -4.967 115 HG LEU 65 HG LEU 65 -5.416 -13.923 -3.856 116 1HD1 LEU 65 1HD1 LEU 65 -6.744 -13.603 -6.168 117 2HD1 LEU 65 2HD1 LEU 65 -5.491 -14.710 -6.729 118 3HD1 LEU 65 3HD1 LEU 65 -6.555 -15.182 -5.404 119 1HD2 LEU 65 1HD2 LEU 65 -2.901 -13.711 -4.776 120 2HD2 LEU 65 2HD2 LEU 65 -3.612 -15.269 -4.353 121 3HD2 LEU 65 3HD2 LEU 65 -3.558 -14.752 -6.039 122 H GLN 66 H GLN 66 -6.095 -13.119 -8.033 123 HA GLN 66 HA GLN 66 -7.866 -12.464 -9.437 124 1HB GLN 66 1HB GLN 66 -7.898 -10.790 -7.062 125 2HB GLN 66 2HB GLN 66 -8.508 -9.890 -8.449 126 1HG GLN 66 1HG GLN 66 -10.380 -11.030 -7.431 127 2HG GLN 66 2HG GLN 66 -10.020 -11.845 -8.953 128 1HE2 GLN 66 2HE2 GLN 66 -10.907 -12.607 -5.909 129 2HE2 GLN 66 1HE2 GLN 66 -10.078 -14.074 -5.698 130 H SER 67 H SER 67 -6.686 -9.161 -8.806 131 HA SER 67 HA SER 67 -6.040 -8.929 -11.722 132 1HB SER 67 1HB SER 67 -7.870 -7.531 -10.754 133 2HB SER 67 2HB SER 67 -6.708 -6.826 -9.634 134 HG SER 67 HG SER 67 -6.984 -6.504 -12.400 135 H TYR 68 H TYR 68 -4.579 -6.470 -11.388 136 HA TYR 68 HA TYR 68 -2.180 -7.343 -9.816 137 1HB TYR 68 1HB TYR 68 -0.815 -6.575 -11.758 138 2HB TYR 68 2HB TYR 68 -1.893 -7.901 -12.190 139 HD1 TYR 68 HD1 TYR 68 -3.992 -7.450 -13.464 140 HD2 TYR 68 HD2 TYR 68 -1.094 -4.375 -12.695 141 HE1 TYR 68 HE1 TYR 68 -5.021 -6.039 -15.224 142 HE2 TYR 68 HE2 TYR 68 -2.122 -2.965 -14.456 143 HH TYR 68 HH TYR 68 -4.388 -4.183 -16.695 144 H ILE 69 H ILE 69 -0.568 -5.376 -9.758 145 HA ILE 69 HA ILE 69 -2.032 -2.781 -9.574 146 HB ILE 69 HB ILE 69 -2.075 -3.894 -7.371 147 1HG1 ILE 69 1HG1 ILE 69 -0.028 -1.656 -7.401 148 2HG1 ILE 69 2HG1 ILE 69 -1.768 -1.407 -7.544 149 1HG2 ILE 69 1HG2 ILE 69 0.073 -5.215 -7.882 150 2HG2 ILE 69 2HG2 ILE 69 0.944 -3.769 -7.372 151 3HG2 ILE 69 3HG2 ILE 69 -0.114 -4.607 -6.238 152 1HD1 ILE 69 1HD1 ILE 69 -1.774 -2.939 -5.348 153 2HD1 ILE 69 2HD1 ILE 69 -0.161 -2.245 -5.175 154 3HD1 ILE 69 3HD1 ILE 69 -1.572 -1.190 -5.259 155 H CYS 70 H CYS 70 -0.870 -1.367 -10.803 156 HA CYS 70 HA CYS 70 2.016 -1.854 -11.298 157 1HB CYS 70 1HB CYS 70 -0.170 -0.133 -12.466 158 2HB CYS 70 2HB CYS 70 1.517 0.152 -12.887 159 H PHE 71 H PHE 71 3.604 -0.571 -10.414 160 HA PHE 71 HA PHE 71 2.769 1.627 -8.576 161 1HB PHE 71 1HB PHE 71 5.176 -0.154 -8.930 162 2HB PHE 71 2HB PHE 71 5.296 1.319 -7.968 163 HD1 PHE 71 HD1 PHE 71 3.627 1.664 -6.060 164 HD2 PHE 71 HD2 PHE 71 4.192 -2.109 -8.033 165 HE1 PHE 71 HE1 PHE 71 2.566 0.502 -4.143 166 HE2 PHE 71 HE2 PHE 71 3.130 -3.271 -6.117 167 HZ PHE 71 HZ PHE 71 2.317 -1.965 -4.171 168 H CYS 72 H CYS 72 2.390 3.187 -10.305 169 HA CYS 72 HA CYS 72 4.329 3.864 -12.318 170 1HB CYS 72 1HB CYS 72 2.173 5.568 -11.020 171 2HB CYS 72 2HB CYS 72 2.909 5.853 -12.594 172 H LEU 73 H LEU 73 4.888 6.473 -12.220 173 HA LEU 73 HA LEU 73 6.900 6.696 -10.088 174 1HB LEU 73 1HB LEU 73 6.307 7.769 -12.729 175 2HB LEU 73 2HB LEU 73 6.755 9.062 -11.619 176 HG LEU 73 HG LEU 73 8.795 7.769 -10.999 177 1HD1 LEU 73 1HD1 LEU 73 7.764 5.909 -13.158 178 2HD1 LEU 73 2HD1 LEU 73 9.411 5.863 -12.531 179 3HD1 LEU 73 3HD1 LEU 73 8.050 5.514 -11.464 180 1HD2 LEU 73 1HD2 LEU 73 8.661 9.463 -12.927 181 2HD2 LEU 73 2HD2 LEU 73 10.024 8.344 -12.956 182 3HD2 LEU 73 3HD2 LEU 73 8.632 8.066 -14.003 183 HA PRO 74 HA PRO 74 4.712 9.373 -7.375 184 1HB PRO 74 1HB PRO 74 6.373 11.518 -6.961 185 2HB PRO 74 2HB PRO 74 6.659 9.911 -6.260 186 1HG PRO 74 1HG PRO 74 7.868 11.157 -8.687 187 2HG PRO 74 2HG PRO 74 8.638 10.195 -7.413 188 1HD PRO 74 1HD PRO 74 7.997 9.145 -9.810 189 2HD PRO 74 2HD PRO 74 7.931 8.191 -8.311 190 H ALA 75 H ALA 75 5.799 10.760 -10.397 191 HA ALA 75 HA ALA 75 3.708 12.898 -10.174 192 1HB ALA 75 1HB ALA 75 6.224 13.394 -10.492 193 2HB ALA 75 2HB ALA 75 6.009 12.772 -12.129 194 3HB ALA 75 3HB ALA 75 5.104 14.191 -11.598 195 H PHE 76 H PHE 76 3.554 9.921 -11.125 196 HA PHE 76 HA PHE 76 2.523 10.463 -13.893 197 1HB PHE 76 1HB PHE 76 3.787 8.110 -12.499 198 2HB PHE 76 2HB PHE 76 2.807 7.861 -13.942 199 HD1 PHE 76 HD1 PHE 76 5.469 10.266 -12.784 200 HD2 PHE 76 HD2 PHE 76 3.968 7.773 -15.944 201 HE1 PHE 76 HE1 PHE 76 7.388 10.916 -14.206 202 HE2 PHE 76 HE2 PHE 76 5.893 8.423 -17.366 203 HZ PHE 76 HZ PHE 76 7.605 9.990 -16.492 204 H GLU 77 H GLU 77 0.642 8.932 -14.461 205 HA GLU 77 HA GLU 77 -1.058 8.154 -12.153 206 1HB GLU 77 1HB GLU 77 -1.245 10.664 -13.207 207 2HB GLU 77 2HB GLU 77 -2.399 9.800 -14.223 208 1HG GLU 77 1HG GLU 77 -3.136 8.813 -11.834 209 2HG GLU 77 2HG GLU 77 -2.504 10.371 -11.301 210 H GLY 78 H GLY 78 -3.151 7.115 -13.051 211 1HA GLY 78 1HA GLY 78 -4.257 6.010 -14.952 212 2HA GLY 78 2HA GLY 78 -2.672 5.835 -15.708 213 H ARG 79 H ARG 79 -4.726 3.776 -14.952 214 HA ARG 79 HA ARG 79 -3.886 2.237 -12.694 215 1HB ARG 79 1HB ARG 79 -6.004 1.983 -13.984 216 2HB ARG 79 2HB ARG 79 -5.078 1.339 -15.340 217 1HG ARG 79 1HG ARG 79 -4.599 -0.651 -14.251 218 2HG ARG 79 2HG ARG 79 -4.726 0.074 -12.649 219 1HD ARG 79 1HD ARG 79 -7.171 0.214 -12.873 220 2HD ARG 79 2HD ARG 79 -7.070 -0.458 -14.512 221 HE ARG 79 HE ARG 79 -6.511 -2.582 -13.583 222 1HH1 ARG 79 1HH1 ARG 79 -6.177 -0.102 -11.158 223 2HH1 ARG 79 2HH1 ARG 79 -6.268 -1.223 -9.844 224 1HH2 ARG 79 1HH2 ARG 79 -6.763 -3.999 -11.849 225 2HH2 ARG 79 2HH2 ARG 79 -6.595 -3.409 -10.230 226 H ASN 80 H ASN 80 -2.850 2.165 -16.104 227 HA ASN 80 HA ASN 80 -0.678 0.235 -15.376 228 1HB ASN 80 1HB ASN 80 -2.070 1.015 -17.952 229 2HB ASN 80 2HB ASN 80 -0.633 -0.008 -17.923 230 1HD2 ASN 80 2HD2 ASN 80 -1.780 -1.929 -18.639 231 2HD2 ASN 80 1HD2 ASN 80 -2.901 -2.723 -17.642 232 H CYS 81 H CYS 81 -0.662 3.191 -14.872 233 HA CYS 81 HA CYS 81 0.830 5.006 -15.083 234 1HB CYS 81 1HB CYS 81 2.614 2.848 -16.262 235 2HB CYS 81 2HB CYS 81 3.147 4.362 -15.542 236 H GLU 82 H GLU 82 -1.036 4.848 -17.156 237 HA GLU 82 HA GLU 82 0.561 5.434 -19.624 238 1HB GLU 82 1HB GLU 82 -1.594 4.937 -20.779 239 2HB GLU 82 2HB GLU 82 -1.039 3.585 -19.793 240 1HG GLU 82 1HG GLU 82 -2.761 3.792 -18.297 241 2HG GLU 82 2HG GLU 82 -2.800 5.550 -18.425 242 H THR 83 H THR 83 -0.195 7.267 -17.242 243 HA THR 83 HA THR 83 -1.241 9.497 -18.926 244 HB THR 83 HB THR 83 -2.280 8.665 -16.197 245 HG1 THR 83 HG1 THR 83 -4.159 8.170 -17.402 246 1HG2 THR 83 1HG2 THR 83 -2.875 10.968 -18.046 247 2HG2 THR 83 2HG2 THR 83 -4.085 10.391 -16.900 248 3HG2 THR 83 3HG2 THR 83 -2.538 11.004 -16.315 249 H HIS 84 H HIS 84 0.568 10.812 -18.817 250 HA HIS 84 HA HIS 84 2.168 11.043 -16.360 251 1HB HIS 84 1HB HIS 84 2.788 11.131 -18.939 252 2HB HIS 84 2HB HIS 84 2.404 12.842 -18.751 253 HD1 HIS 84 HD1 HIS 84 5.337 11.593 -19.183 254 HD2 HIS 84 HD2 HIS 84 3.728 12.924 -15.575 255 HE1 HIS 84 HE1 HIS 84 7.301 12.143 -17.682 256 H LYS 85 H LYS 85 1.897 12.623 -14.827 257 HA LYS 85 HA LYS 85 -0.243 14.643 -15.222 258 1HB LYS 85 1HB LYS 85 1.343 13.516 -12.916 259 2HB LYS 85 2HB LYS 85 0.370 14.972 -12.710 260 1HG LYS 85 1HG LYS 85 -0.814 12.493 -13.949 261 2HG LYS 85 2HG LYS 85 -0.743 12.682 -12.197 262 1HD LYS 85 1HD LYS 85 -1.751 15.090 -12.821 263 2HD LYS 85 2HD LYS 85 -2.364 14.178 -14.201 264 1HE LYS 85 1HE LYS 85 -3.826 12.973 -12.911 265 2HE LYS 85 2HE LYS 85 -2.679 12.849 -11.562 266 1HZ LYS 85 1HZ LYS 85 -4.062 15.354 -12.360 267 2HZ LYS 85 2HZ LYS 85 -4.569 14.353 -11.088 268 3HZ LYS 85 3HZ LYS 85 -3.060 15.132 -11.006 269 H ASP 86 H ASP 86 0.165 16.896 -15.008 270 HA ASP 86 HA ASP 86 2.906 17.748 -15.705 271 1HB ASP 86 1HB ASP 86 0.666 18.510 -16.733 272 2HB ASP 86 2HB ASP 86 0.450 19.455 -15.259 273 H ASP 87 H ASP 87 0.577 18.130 -13.044 274 HA ASP 87 HA ASP 87 0.838 18.984 -10.856 275 1HB ASP 87 1HB ASP 87 3.463 17.755 -11.642 276 2HB ASP 87 2HB ASP 87 3.334 18.576 -10.086 277 H GLY 88 H GLY 88 2.670 20.451 -9.556 278 1HA GLY 88 1HA GLY 88 3.926 22.502 -11.191 279 2HA GLY 88 2HA GLY 88 2.438 23.071 -10.433 280 H SER 89 H SER 89 5.228 21.074 -9.399 281 HA SER 89 HA SER 89 5.221 22.548 -6.799 282 1HB SER 89 1HB SER 89 6.677 20.010 -7.584 283 2HB SER 89 2HB SER 89 6.331 20.585 -5.955 284 HG SER 89 HG SER 89 4.092 20.346 -6.476 285 H ALA 90 H ALA 90 7.201 21.791 -9.618 286 HA ALA 90 HA ALA 90 9.598 23.087 -8.455 287 1HB ALA 90 1HB ALA 90 9.248 20.962 -10.070 288 2HB ALA 90 2HB ALA 90 9.413 22.214 -11.301 289 3HB ALA 90 3HB ALA 90 10.706 21.951 -10.131 Start of MODEL 4 1 1H SER 45 1H SER 45 -1.778 -21.764 -6.744 2 2H SER 45 2H SER 45 -0.280 -21.514 -5.987 3 3H SER 45 3H SER 45 -1.530 -20.379 -5.792 4 HA SER 45 HA SER 45 0.126 -19.561 -7.371 5 1HB SER 45 1HB SER 45 -0.703 -21.984 -8.987 6 2HB SER 45 2HB SER 45 0.630 -20.882 -9.314 7 HG SER 45 HG SER 45 0.669 -23.098 -7.892 8 H ASP 46 H ASP 46 -1.191 -17.832 -7.851 9 HA ASP 46 HA ASP 46 -3.142 -18.051 -10.013 10 1HB ASP 46 1HB ASP 46 -4.301 -18.970 -7.968 11 2HB ASP 46 2HB ASP 46 -4.112 -17.385 -7.217 12 H GLY 47 H GLY 47 -1.631 -16.362 -10.766 13 1HA GLY 47 1HA GLY 47 -2.553 -13.722 -10.468 14 2HA GLY 47 2HA GLY 47 -1.221 -13.905 -9.326 15 H ASP 48 H ASP 48 -1.888 -14.859 -12.717 16 HA ASP 48 HA ASP 48 0.946 -14.216 -13.392 17 1HB ASP 48 1HB ASP 48 -0.697 -16.345 -13.949 18 2HB ASP 48 2HB ASP 48 -0.871 -15.381 -15.414 19 H GLN 49 H GLN 49 -1.201 -12.153 -12.963 20 HA GLN 49 HA GLN 49 -2.005 -11.113 -15.555 21 1HB GLN 49 1HB GLN 49 -1.853 -9.984 -12.746 22 2HB GLN 49 2HB GLN 49 -2.559 -9.104 -14.102 23 1HG GLN 49 1HG GLN 49 -4.475 -10.137 -13.379 24 2HG GLN 49 2HG GLN 49 -3.860 -11.451 -14.383 25 1HE2 GLN 49 2HE2 GLN 49 -2.933 -10.283 -11.090 26 2HE2 GLN 49 1HE2 GLN 49 -3.100 -11.802 -10.349 27 H CYS 50 H CYS 50 0.794 -10.702 -13.463 28 HA CYS 50 HA CYS 50 1.825 -8.447 -15.110 29 1HB CYS 50 1HB CYS 50 2.691 -9.812 -12.544 30 2HB CYS 50 2HB CYS 50 3.591 -8.491 -13.288 31 H ALA 51 H ALA 51 1.630 -11.259 -16.156 32 HA ALA 51 HA ALA 51 4.378 -12.291 -16.230 33 1HB ALA 51 1HB ALA 51 1.851 -13.323 -16.496 34 2HB ALA 51 2HB ALA 51 2.364 -13.232 -18.181 35 3HB ALA 51 3HB ALA 51 3.317 -14.154 -17.018 36 H SER 52 H SER 52 2.327 -10.243 -18.227 37 HA SER 52 HA SER 52 4.433 -10.213 -20.361 38 1HB SER 52 1HB SER 52 1.469 -9.590 -20.328 39 2HB SER 52 2HB SER 52 2.502 -9.289 -21.723 40 HG SER 52 HG SER 52 2.084 -11.781 -20.417 41 H SER 53 H SER 53 4.181 -8.577 -17.714 42 HA SER 53 HA SER 53 4.528 -6.345 -17.018 43 1HB SER 53 1HB SER 53 5.686 -6.346 -19.824 44 2HB SER 53 2HB SER 53 6.017 -5.116 -18.607 45 HG SER 53 HG SER 53 7.358 -6.441 -17.686 46 HA PRO 54 HA PRO 54 0.875 -4.839 -19.518 47 1HB PRO 54 1HB PRO 54 -0.854 -4.535 -17.420 48 2HB PRO 54 2HB PRO 54 -0.689 -6.054 -18.322 49 1HG PRO 54 1HG PRO 54 0.447 -5.288 -15.681 50 2HG PRO 54 2HG PRO 54 -0.209 -6.841 -16.221 51 1HD PRO 54 1HD PRO 54 2.462 -6.310 -16.041 52 2HD PRO 54 2HD PRO 54 1.767 -7.495 -17.169 53 H CYS 55 H CYS 55 2.366 -3.827 -16.491 54 HA CYS 55 HA CYS 55 1.347 -1.161 -16.314 55 1HB CYS 55 1HB CYS 55 4.054 -2.298 -15.526 56 2HB CYS 55 2HB CYS 55 3.347 -0.814 -14.893 57 H GLN 56 H GLN 56 2.583 0.853 -16.834 58 HA GLN 56 HA GLN 56 4.333 0.544 -19.255 59 1HB GLN 56 1HB GLN 56 1.860 1.252 -19.545 60 2HB GLN 56 2HB GLN 56 2.350 2.777 -18.808 61 1HG GLN 56 1HG GLN 56 3.610 3.409 -20.621 62 2HG GLN 56 2HG GLN 56 4.058 1.750 -21.019 63 1HE2 GLN 56 2HE2 GLN 56 1.944 0.375 -21.685 64 2HE2 GLN 56 1HE2 GLN 56 0.917 1.158 -22.787 65 H ASN 57 H ASN 57 5.493 2.743 -19.677 66 HA ASN 57 HA ASN 57 7.104 4.294 -18.930 67 1HB ASN 57 1HB ASN 57 4.747 4.581 -17.078 68 2HB ASN 57 2HB ASN 57 6.182 5.581 -16.846 69 1HD2 ASN 57 2HD2 ASN 57 3.274 5.295 -18.652 70 2HD2 ASN 57 1HD2 ASN 57 3.605 6.496 -19.806 71 H GLY 58 H GLY 58 7.647 1.626 -18.128 72 1HA GLY 58 1HA GLY 58 9.030 0.445 -16.649 73 2HA GLY 58 2HA GLY 58 9.587 2.019 -16.083 74 H GLY 59 H GLY 59 6.202 1.121 -15.908 75 1HA GLY 59 1HA GLY 59 6.150 1.602 -13.046 76 2HA GLY 59 2HA GLY 59 4.792 1.033 -14.019 77 H SER 60 H SER 60 5.797 0.042 -11.386 78 HA SER 60 HA SER 60 6.884 -2.643 -12.002 79 1HB SER 60 1HB SER 60 6.804 -0.790 -9.799 80 2HB SER 60 2HB SER 60 6.144 -2.334 -9.266 81 HG SER 60 HG SER 60 8.035 -3.316 -10.145 82 H CYS 61 H CYS 61 5.582 -4.414 -12.253 83 HA CYS 61 HA CYS 61 2.667 -4.138 -11.716 84 1HB CYS 61 1HB CYS 61 3.824 -4.916 -13.912 85 2HB CYS 61 2HB CYS 61 4.087 -6.435 -13.058 86 H LYS 62 H LYS 62 1.643 -5.357 -10.149 87 HA LYS 62 HA LYS 62 3.206 -7.516 -8.778 88 1HB LYS 62 1HB LYS 62 2.342 -4.919 -7.802 89 2HB LYS 62 2HB LYS 62 1.582 -6.202 -6.862 90 1HG LYS 62 1HG LYS 62 3.710 -5.641 -5.830 91 2HG LYS 62 2HG LYS 62 3.842 -7.243 -6.556 92 1HD LYS 62 1HD LYS 62 5.243 -6.518 -8.243 93 2HD LYS 62 2HD LYS 62 4.573 -4.887 -8.242 94 1HE LYS 62 1HE LYS 62 5.718 -4.385 -6.125 95 2HE LYS 62 2HE LYS 62 6.360 -6.039 -6.068 96 1HZ LYS 62 1HZ LYS 62 7.294 -5.617 -8.325 97 2HZ LYS 62 2HZ LYS 62 6.867 -3.982 -8.149 98 3HZ LYS 62 3HZ LYS 62 8.004 -4.684 -7.099 99 H ASP 63 H ASP 63 1.984 -9.342 -8.383 100 HA ASP 63 HA ASP 63 -0.722 -9.505 -9.471 101 1HB ASP 63 1HB ASP 63 -0.481 -11.876 -8.761 102 2HB ASP 63 2HB ASP 63 0.937 -11.319 -9.648 103 H GLN 64 H GLN 64 -2.605 -9.228 -8.336 104 HA GLN 64 HA GLN 64 -2.459 -9.214 -5.337 105 1HB GLN 64 1HB GLN 64 -3.828 -7.424 -7.348 106 2HB GLN 64 2HB GLN 64 -4.370 -7.489 -5.670 107 1HG GLN 64 1HG GLN 64 -1.457 -7.077 -6.298 108 2HG GLN 64 2HG GLN 64 -2.575 -5.712 -6.346 109 1HE2 GLN 64 2HE2 GLN 64 -3.957 -5.445 -4.277 110 2HE2 GLN 64 1HE2 GLN 64 -3.217 -5.819 -2.795 111 H LEU 65 H LEU 65 -3.046 -11.625 -6.462 112 HA LEU 65 HA LEU 65 -4.668 -13.335 -6.538 113 1HB LEU 65 1HB LEU 65 -4.972 -11.959 -4.263 114 2HB LEU 65 2HB LEU 65 -6.534 -11.586 -4.992 115 HG LEU 65 HG LEU 65 -5.575 -14.426 -5.000 116 1HD1 LEU 65 1HD1 LEU 65 -5.510 -13.137 -2.637 117 2HD1 LEU 65 2HD1 LEU 65 -7.231 -13.519 -2.697 118 3HD1 LEU 65 3HD1 LEU 65 -6.038 -14.814 -2.783 119 1HD2 LEU 65 1HD2 LEU 65 -7.671 -13.551 -6.174 120 2HD2 LEU 65 2HD2 LEU 65 -7.920 -14.902 -5.067 121 3HD2 LEU 65 3HD2 LEU 65 -8.336 -13.263 -4.565 122 H GLN 66 H GLN 66 -5.435 -13.472 -8.638 123 HA GLN 66 HA GLN 66 -6.861 -13.153 -10.494 124 1HB GLN 66 1HB GLN 66 -8.318 -13.568 -8.244 125 2HB GLN 66 2HB GLN 66 -8.950 -11.994 -8.724 126 1HG GLN 66 1HG GLN 66 -10.340 -13.286 -10.011 127 2HG GLN 66 2HG GLN 66 -8.974 -13.226 -11.126 128 1HE2 GLN 66 2HE2 GLN 66 -7.183 -15.008 -9.819 129 2HE2 GLN 66 1HE2 GLN 66 -7.861 -16.564 -9.819 130 H SER 67 H SER 67 -5.188 -10.816 -9.478 131 HA SER 67 HA SER 67 -6.253 -8.792 -11.280 132 1HB SER 67 1HB SER 67 -6.889 -7.176 -9.612 133 2HB SER 67 2HB SER 67 -7.676 -8.686 -9.164 134 HG SER 67 HG SER 67 -6.264 -7.317 -7.590 135 H TYR 68 H TYR 68 -4.810 -6.795 -11.197 136 HA TYR 68 HA TYR 68 -2.101 -7.441 -10.083 137 1HB TYR 68 1HB TYR 68 -1.190 -6.495 -12.202 138 2HB TYR 68 2HB TYR 68 -2.208 -7.905 -12.492 139 HD1 TYR 68 HD1 TYR 68 -2.073 -4.199 -12.633 140 HD2 TYR 68 HD2 TYR 68 -4.289 -7.726 -13.687 141 HE1 TYR 68 HE1 TYR 68 -3.526 -2.844 -14.114 142 HE2 TYR 68 HE2 TYR 68 -5.743 -6.369 -15.168 143 HH TYR 68 HH TYR 68 -5.322 -3.985 -16.470 144 H ILE 69 H ILE 69 -0.699 -5.384 -10.105 145 HA ILE 69 HA ILE 69 -2.234 -2.863 -9.771 146 HB ILE 69 HB ILE 69 -2.273 -4.034 -7.595 147 1HG1 ILE 69 1HG1 ILE 69 -0.207 -1.895 -7.222 148 2HG1 ILE 69 2HG1 ILE 69 -1.756 -1.456 -7.944 149 1HG2 ILE 69 1HG2 ILE 69 0.204 -4.992 -8.321 150 2HG2 ILE 69 2HG2 ILE 69 0.624 -3.780 -7.113 151 3HG2 ILE 69 3HG2 ILE 69 -0.477 -5.095 -6.699 152 1HD1 ILE 69 1HD1 ILE 69 -2.643 -2.953 -5.880 153 2HD1 ILE 69 2HD1 ILE 69 -1.143 -2.349 -5.175 154 3HD1 ILE 69 3HD1 ILE 69 -2.368 -1.216 -5.748 155 H CYS 70 H CYS 70 -1.084 -1.467 -11.042 156 HA CYS 70 HA CYS 70 1.796 -1.904 -11.525 157 1HB CYS 70 1HB CYS 70 -0.364 -0.087 -12.598 158 2HB CYS 70 2HB CYS 70 1.324 0.116 -13.063 159 H PHE 71 H PHE 71 3.397 -0.693 -10.602 160 HA PHE 71 HA PHE 71 2.619 1.477 -8.704 161 1HB PHE 71 1HB PHE 71 4.981 -0.356 -9.105 162 2HB PHE 71 2HB PHE 71 5.137 1.087 -8.106 163 HD1 PHE 71 HD1 PHE 71 3.121 1.439 -6.380 164 HD2 PHE 71 HD2 PHE 71 4.306 -2.330 -8.067 165 HE1 PHE 71 HE1 PHE 71 2.033 0.252 -4.494 166 HE2 PHE 71 HE2 PHE 71 3.217 -3.516 -6.181 167 HZ PHE 71 HZ PHE 71 2.081 -2.225 -4.394 168 H CYS 72 H CYS 72 2.330 3.190 -10.232 169 HA CYS 72 HA CYS 72 4.254 3.814 -12.307 170 1HB CYS 72 1HB CYS 72 2.171 5.561 -10.949 171 2HB CYS 72 2HB CYS 72 2.894 5.846 -12.529 172 H LEU 73 H LEU 73 5.011 6.323 -12.197 173 HA LEU 73 HA LEU 73 6.958 6.459 -9.993 174 1HB LEU 73 1HB LEU 73 6.321 7.955 -12.526 175 2HB LEU 73 2HB LEU 73 7.456 8.643 -11.371 176 HG LEU 73 HG LEU 73 7.677 5.881 -12.576 177 1HD1 LEU 73 1HD1 LEU 73 8.073 8.145 -13.963 178 2HD1 LEU 73 2HD1 LEU 73 9.641 8.041 -13.161 179 3HD1 LEU 73 3HD1 LEU 73 9.086 6.719 -14.188 180 1HD2 LEU 73 1HD2 LEU 73 9.384 7.499 -10.683 181 2HD2 LEU 73 2HD2 LEU 73 8.792 5.850 -10.481 182 3HD2 LEU 73 3HD2 LEU 73 10.071 6.191 -11.646 183 HA PRO 74 HA PRO 74 4.783 9.394 -7.515 184 1HB PRO 74 1HB PRO 74 6.653 11.316 -6.941 185 2HB PRO 74 2HB PRO 74 6.656 9.704 -6.197 186 1HG PRO 74 1HG PRO 74 8.275 10.737 -8.478 187 2HG PRO 74 2HG PRO 74 8.764 9.703 -7.125 188 1HD PRO 74 1HD PRO 74 8.253 8.717 -9.585 189 2HD PRO 74 2HD PRO 74 7.927 7.794 -8.103 190 H ALA 75 H ALA 75 6.090 10.318 -10.570 191 HA ALA 75 HA ALA 75 4.507 12.868 -10.526 192 1HB ALA 75 1HB ALA 75 6.988 11.976 -12.017 193 2HB ALA 75 2HB ALA 75 6.107 13.450 -12.425 194 3HB ALA 75 3HB ALA 75 6.853 13.279 -10.836 195 H PHE 76 H PHE 76 3.951 9.820 -11.379 196 HA PHE 76 HA PHE 76 2.816 10.498 -14.075 197 1HB PHE 76 1HB PHE 76 4.051 8.033 -12.862 198 2HB PHE 76 2HB PHE 76 2.944 7.884 -14.226 199 HD1 PHE 76 HD1 PHE 76 5.865 10.019 -13.190 200 HD2 PHE 76 HD2 PHE 76 3.877 7.893 -16.348 201 HE1 PHE 76 HE1 PHE 76 7.695 10.623 -14.748 202 HE2 PHE 76 HE2 PHE 76 5.710 8.496 -17.906 203 HZ PHE 76 HZ PHE 76 7.619 9.858 -17.104 204 H GLU 77 H GLU 77 0.841 9.029 -14.553 205 HA GLU 77 HA GLU 77 -0.748 8.305 -12.151 206 1HB GLU 77 1HB GLU 77 -0.890 10.830 -13.156 207 2HB GLU 77 2HB GLU 77 -2.126 10.034 -14.133 208 1HG GLU 77 1HG GLU 77 -3.363 10.695 -12.268 209 2HG GLU 77 2HG GLU 77 -2.912 9.048 -11.827 210 H GLY 78 H GLY 78 -2.961 7.398 -12.955 211 1HA GLY 78 1HA GLY 78 -4.203 6.373 -14.821 212 2HA GLY 78 2HA GLY 78 -2.658 6.086 -15.622 213 H ARG 79 H ARG 79 -4.735 4.117 -14.934 214 HA ARG 79 HA ARG 79 -4.007 2.550 -12.640 215 1HB ARG 79 1HB ARG 79 -6.106 2.498 -14.121 216 2HB ARG 79 2HB ARG 79 -5.155 1.533 -15.250 217 1HG ARG 79 1HG ARG 79 -4.678 -0.079 -13.396 218 2HG ARG 79 2HG ARG 79 -5.766 0.847 -12.361 219 1HD ARG 79 1HD ARG 79 -7.368 0.482 -14.538 220 2HD ARG 79 2HD ARG 79 -6.416 -1.015 -14.572 221 HE ARG 79 HE ARG 79 -7.009 -0.892 -11.943 222 1HH1 ARG 79 1HH1 ARG 79 -8.978 -0.698 -14.811 223 2HH1 ARG 79 2HH1 ARG 79 -10.444 -1.030 -13.957 224 1HH2 ARG 79 1HH2 ARG 79 -8.951 -1.186 -10.841 225 2HH2 ARG 79 2HH2 ARG 79 -10.431 -1.305 -11.732 226 H ASN 80 H ASN 80 -3.023 2.352 -16.066 227 HA ASN 80 HA ASN 80 -0.936 0.339 -15.330 228 1HB ASN 80 1HB ASN 80 -2.403 1.152 -17.838 229 2HB ASN 80 2HB ASN 80 -0.898 0.238 -17.945 230 1HD2 ASN 80 2HD2 ASN 80 -3.547 -0.790 -18.702 231 2HD2 ASN 80 1HD2 ASN 80 -3.874 -2.104 -17.680 232 H CYS 81 H CYS 81 -0.782 3.303 -14.838 233 HA CYS 81 HA CYS 81 0.802 5.037 -15.040 234 1HB CYS 81 1HB CYS 81 2.485 2.778 -16.180 235 2HB CYS 81 2HB CYS 81 3.091 4.273 -15.477 236 H GLU 82 H GLU 82 -1.012 5.165 -17.064 237 HA GLU 82 HA GLU 82 0.604 5.519 -19.565 238 1HB GLU 82 1HB GLU 82 -1.606 5.293 -20.690 239 2HB GLU 82 2HB GLU 82 -1.227 3.889 -19.695 240 1HG GLU 82 1HG GLU 82 -2.668 6.047 -18.275 241 2HG GLU 82 2HG GLU 82 -3.588 5.275 -19.567 242 H THR 83 H THR 83 0.090 7.436 -17.166 243 HA THR 83 HA THR 83 -0.670 9.777 -18.854 244 HB THR 83 HB THR 83 -1.776 9.102 -16.108 245 HG1 THR 83 HG1 THR 83 -3.325 8.174 -17.153 246 1HG2 THR 83 1HG2 THR 83 -1.875 11.499 -17.867 247 2HG2 THR 83 2HG2 THR 83 -3.380 11.039 -17.071 248 3HG2 THR 83 3HG2 THR 83 -1.945 11.388 -16.107 249 H HIS 84 H HIS 84 0.280 11.757 -18.106 250 HA HIS 84 HA HIS 84 2.461 11.399 -16.077 251 1HB HIS 84 1HB HIS 84 3.031 11.824 -18.506 252 2HB HIS 84 2HB HIS 84 2.241 13.394 -18.351 253 HD1 HIS 84 HD1 HIS 84 5.483 11.945 -18.127 254 HD2 HIS 84 HD2 HIS 84 3.462 14.838 -15.910 255 HE1 HIS 84 HE1 HIS 84 7.254 13.253 -16.873 256 H LYS 85 H LYS 85 2.069 12.484 -14.196 257 HA LYS 85 HA LYS 85 0.418 14.991 -14.305 258 1HB LYS 85 1HB LYS 85 0.491 12.628 -12.434 259 2HB LYS 85 2HB LYS 85 -0.124 14.185 -11.877 260 1HG LYS 85 1HG LYS 85 -1.118 12.891 -14.420 261 2HG LYS 85 2HG LYS 85 -1.855 12.560 -12.851 262 1HD LYS 85 1HD LYS 85 -1.424 15.421 -13.551 263 2HD LYS 85 2HD LYS 85 -2.691 14.569 -14.433 264 1HE LYS 85 1HE LYS 85 -3.987 14.249 -12.535 265 2HE LYS 85 2HE LYS 85 -2.581 14.242 -11.453 266 1HZ LYS 85 1HZ LYS 85 -3.471 16.624 -12.986 267 2HZ LYS 85 2HZ LYS 85 -3.906 16.333 -11.369 268 3HZ LYS 85 3HZ LYS 85 -2.275 16.566 -11.784 269 H ASP 86 H ASP 86 1.564 16.760 -13.651 270 HA ASP 86 HA ASP 86 3.963 16.341 -11.897 271 1HB ASP 86 1HB ASP 86 4.809 18.395 -13.027 272 2HB ASP 86 2HB ASP 86 4.451 17.112 -14.181 273 H ASP 87 H ASP 87 1.090 18.324 -12.494 274 HA ASP 87 HA ASP 87 1.118 19.212 -9.668 275 1HB ASP 87 1HB ASP 87 2.529 20.811 -10.956 276 2HB ASP 87 2HB ASP 87 1.163 21.124 -12.027 277 H GLY 88 H GLY 88 -0.976 19.846 -8.965 278 1HA GLY 88 1HA GLY 88 -3.201 20.625 -10.406 279 2HA GLY 88 2HA GLY 88 -3.197 18.870 -10.579 280 H SER 89 H SER 89 -1.978 18.470 -7.914 281 HA SER 89 HA SER 89 -4.357 18.195 -6.341 282 1HB SER 89 1HB SER 89 -2.071 16.998 -6.222 283 2HB SER 89 2HB SER 89 -1.528 18.388 -5.287 284 HG SER 89 HG SER 89 -2.455 17.460 -3.656 285 H ALA 90 H ALA 90 -5.505 19.976 -5.672 286 HA ALA 90 HA ALA 90 -4.021 22.401 -4.747 287 1HB ALA 90 1HB ALA 90 -6.770 21.777 -5.801 288 2HB ALA 90 2HB ALA 90 -6.502 23.259 -4.883 289 3HB ALA 90 3HB ALA 90 -5.610 22.973 -6.377 Start of MODEL 5 1 1H SER 45 1H SER 45 -6.218 -19.247 -7.890 2 2H SER 45 2H SER 45 -4.577 -18.966 -7.565 3 3H SER 45 3H SER 45 -5.503 -19.908 -6.498 4 HA SER 45 HA SER 45 -6.748 -18.046 -5.757 5 1HB SER 45 1HB SER 45 -4.485 -18.417 -4.836 6 2HB SER 45 2HB SER 45 -3.798 -17.415 -6.111 7 HG SER 45 HG SER 45 -4.744 -16.644 -3.781 8 H ASP 46 H ASP 46 -4.552 -17.163 -8.433 9 HA ASP 46 HA ASP 46 -6.534 -15.185 -9.398 10 1HB ASP 46 1HB ASP 46 -4.809 -13.385 -9.361 11 2HB ASP 46 2HB ASP 46 -5.180 -13.975 -7.741 12 H GLY 47 H GLY 47 -5.997 -14.438 -11.596 13 1HA GLY 47 1HA GLY 47 -4.698 -16.528 -13.177 14 2HA GLY 47 2HA GLY 47 -5.474 -15.076 -13.814 15 H ASP 48 H ASP 48 -3.529 -14.962 -15.224 16 HA ASP 48 HA ASP 48 -1.055 -14.034 -13.828 17 1HB ASP 48 1HB ASP 48 -1.445 -15.868 -15.793 18 2HB ASP 48 2HB ASP 48 -1.163 -14.429 -16.772 19 H GLN 49 H GLN 49 -1.940 -11.880 -13.365 20 HA GLN 49 HA GLN 49 -2.747 -10.159 -15.621 21 1HB GLN 49 1HB GLN 49 -2.363 -9.779 -12.638 22 2HB GLN 49 2HB GLN 49 -2.919 -8.496 -13.713 23 1HG GLN 49 1HG GLN 49 -4.941 -9.396 -12.972 24 2HG GLN 49 2HG GLN 49 -4.687 -10.280 -14.477 25 1HE2 GLN 49 2HE2 GLN 49 -3.352 -10.678 -11.140 26 2HE2 GLN 49 1HE2 GLN 49 -3.753 -12.323 -11.022 27 H CYS 50 H CYS 50 0.011 -10.541 -13.412 28 HA CYS 50 HA CYS 50 1.479 -8.354 -14.810 29 1HB CYS 50 1HB CYS 50 1.281 -8.461 -12.313 30 2HB CYS 50 2HB CYS 50 2.156 -9.991 -12.345 31 H ALA 51 H ALA 51 1.177 -10.507 -16.487 32 HA ALA 51 HA ALA 51 3.449 -12.366 -16.220 33 1HB ALA 51 1HB ALA 51 1.212 -13.023 -17.077 34 2HB ALA 51 2HB ALA 51 1.413 -11.902 -18.424 35 3HB ALA 51 3HB ALA 51 2.472 -13.305 -18.280 36 H SER 52 H SER 52 2.398 -10.028 -18.738 37 HA SER 52 HA SER 52 5.197 -9.887 -19.740 38 1HB SER 52 1HB SER 52 2.989 -10.255 -21.093 39 2HB SER 52 2HB SER 52 2.779 -8.518 -20.903 40 HG SER 52 HG SER 52 3.923 -8.944 -22.795 41 H SER 53 H SER 53 4.178 -8.530 -17.193 42 HA SER 53 HA SER 53 4.386 -6.436 -16.119 43 1HB SER 53 1HB SER 53 6.682 -6.680 -16.648 44 2HB SER 53 2HB SER 53 6.401 -6.418 -18.367 45 HG SER 53 HG SER 53 6.184 -4.292 -18.019 46 HA PRO 54 HA PRO 54 1.649 -4.333 -19.213 47 1HB PRO 54 1HB PRO 54 -0.412 -3.833 -17.487 48 2HB PRO 54 2HB PRO 54 -0.257 -5.350 -18.395 49 1HG PRO 54 1HG PRO 54 0.409 -4.767 -15.555 50 2HG PRO 54 2HG PRO 54 -0.309 -6.218 -16.273 51 1HD PRO 54 1HD PRO 54 2.316 -6.029 -15.546 52 2HD PRO 54 2HD PRO 54 1.722 -7.105 -16.829 53 H CYS 55 H CYS 55 2.918 -3.530 -16.067 54 HA CYS 55 HA CYS 55 2.072 -0.820 -15.787 55 1HB CYS 55 1HB CYS 55 4.695 -2.146 -15.009 56 2HB CYS 55 2HB CYS 55 4.049 -0.663 -14.309 57 H GLN 56 H GLN 56 2.578 0.955 -17.016 58 HA GLN 56 HA GLN 56 4.650 0.725 -19.122 59 1HB GLN 56 1HB GLN 56 2.557 2.802 -18.409 60 2HB GLN 56 2HB GLN 56 3.601 2.897 -19.826 61 1HG GLN 56 1HG GLN 56 2.170 0.325 -19.475 62 2HG GLN 56 2HG GLN 56 1.149 1.715 -19.843 63 1HE2 GLN 56 2HE2 GLN 56 1.044 2.336 -22.014 64 2HE2 GLN 56 1HE2 GLN 56 2.112 1.805 -23.222 65 H ASN 57 H ASN 57 5.636 3.181 -19.438 66 HA ASN 57 HA ASN 57 7.317 4.647 -18.687 67 1HB ASN 57 1HB ASN 57 5.423 4.437 -16.337 68 2HB ASN 57 2HB ASN 57 6.764 5.583 -16.372 69 1HD2 ASN 57 2HD2 ASN 57 3.502 5.265 -17.172 70 2HD2 ASN 57 1HD2 ASN 57 3.390 6.528 -18.299 71 H GLY 58 H GLY 58 7.565 1.618 -18.090 72 1HA GLY 58 1HA GLY 58 9.154 0.239 -17.057 73 2HA GLY 58 2HA GLY 58 10.114 1.698 -16.825 74 H GLY 59 H GLY 59 6.894 0.967 -15.516 75 1HA GLY 59 1HA GLY 59 7.835 1.703 -12.827 76 2HA GLY 59 2HA GLY 59 6.175 1.309 -13.271 77 H SER 60 H SER 60 6.994 0.177 -10.983 78 HA SER 60 HA SER 60 8.090 -2.525 -11.541 79 1HB SER 60 1HB SER 60 9.017 -1.536 -9.619 80 2HB SER 60 2HB SER 60 7.484 -0.818 -9.135 81 HG SER 60 HG SER 60 6.774 -2.807 -8.481 82 H CYS 61 H CYS 61 6.708 -4.192 -11.940 83 HA CYS 61 HA CYS 61 3.809 -3.862 -11.424 84 1HB CYS 61 1HB CYS 61 4.710 -4.602 -13.616 85 2HB CYS 61 2HB CYS 61 5.431 -6.007 -12.833 86 H LYS 62 H LYS 62 2.717 -5.000 -9.865 87 HA LYS 62 HA LYS 62 4.171 -7.176 -8.399 88 1HB LYS 62 1HB LYS 62 3.049 -4.595 -7.517 89 2HB LYS 62 2HB LYS 62 2.533 -5.964 -6.532 90 1HG LYS 62 1HG LYS 62 5.150 -6.557 -6.731 91 2HG LYS 62 2HG LYS 62 5.251 -4.802 -6.888 92 1HD LYS 62 1HD LYS 62 4.383 -4.425 -4.759 93 2HD LYS 62 2HD LYS 62 3.552 -5.980 -4.712 94 1HE LYS 62 1HE LYS 62 5.652 -7.166 -4.408 95 2HE LYS 62 2HE LYS 62 6.575 -5.667 -4.639 96 1HZ LYS 62 1HZ LYS 62 5.273 -4.716 -2.764 97 2HZ LYS 62 2HZ LYS 62 4.632 -6.261 -2.472 98 3HZ LYS 62 3HZ LYS 62 6.300 -5.986 -2.305 99 H ASP 63 H ASP 63 2.908 -8.991 -8.029 100 HA ASP 63 HA ASP 63 0.309 -9.189 -9.338 101 1HB ASP 63 1HB ASP 63 0.473 -11.532 -8.525 102 2HB ASP 63 2HB ASP 63 1.967 -11.010 -9.302 103 H GLN 64 H GLN 64 -1.683 -8.972 -8.394 104 HA GLN 64 HA GLN 64 -1.913 -9.078 -5.417 105 1HB GLN 64 1HB GLN 64 -2.568 -6.827 -7.315 106 2HB GLN 64 2HB GLN 64 -3.437 -6.983 -5.787 107 1HG GLN 64 1HG GLN 64 -0.416 -6.872 -6.034 108 2HG GLN 64 2HG GLN 64 -1.436 -5.492 -5.622 109 1HE2 GLN 64 2HE2 GLN 64 -2.858 -5.812 -3.608 110 2HE2 GLN 64 1HE2 GLN 64 -2.234 -6.755 -2.343 111 H LEU 65 H LEU 65 -3.051 -11.108 -5.763 112 HA LEU 65 HA LEU 65 -4.958 -12.447 -6.143 113 1HB LEU 65 1HB LEU 65 -5.676 -9.901 -5.088 114 2HB LEU 65 2HB LEU 65 -6.896 -10.305 -6.294 115 HG LEU 65 HG LEU 65 -6.096 -12.512 -4.474 116 1HD1 LEU 65 1HD1 LEU 65 -6.282 -10.302 -3.104 117 2HD1 LEU 65 2HD1 LEU 65 -8.008 -10.427 -3.440 118 3HD1 LEU 65 3HD1 LEU 65 -7.187 -11.711 -2.552 119 1HD2 LEU 65 1HD2 LEU 65 -8.649 -11.425 -5.678 120 2HD2 LEU 65 2HD2 LEU 65 -7.847 -12.954 -6.032 121 3HD2 LEU 65 3HD2 LEU 65 -8.657 -12.721 -4.482 122 H GLN 66 H GLN 66 -7.349 -11.737 -7.588 123 HA GLN 66 HA GLN 66 -6.706 -12.436 -10.246 124 1HB GLN 66 1HB GLN 66 -8.949 -12.180 -8.793 125 2HB GLN 66 2HB GLN 66 -9.061 -10.680 -9.715 126 1HG GLN 66 1HG GLN 66 -10.084 -12.061 -11.236 127 2HG GLN 66 2HG GLN 66 -8.415 -12.363 -11.717 128 1HE2 GLN 66 2HE2 GLN 66 -10.670 -14.279 -11.928 129 2HE2 GLN 66 1HE2 GLN 66 -10.247 -15.617 -10.974 130 H SER 67 H SER 67 -6.576 -9.297 -8.701 131 HA SER 67 HA SER 67 -6.260 -7.926 -11.336 132 1HB SER 67 1HB SER 67 -6.537 -6.841 -8.515 133 2HB SER 67 2HB SER 67 -6.637 -5.905 -10.004 134 HG SER 67 HG SER 67 -8.626 -6.537 -10.220 135 H TYR 68 H TYR 68 -4.611 -5.877 -10.780 136 HA TYR 68 HA TYR 68 -2.140 -6.987 -9.519 137 1HB TYR 68 1HB TYR 68 -0.877 -6.254 -11.547 138 2HB TYR 68 2HB TYR 68 -2.059 -7.509 -11.915 139 HD1 TYR 68 HD1 TYR 68 -4.111 -6.989 -13.157 140 HD2 TYR 68 HD2 TYR 68 -1.204 -3.950 -12.284 141 HE1 TYR 68 HE1 TYR 68 -5.185 -5.486 -14.811 142 HE2 TYR 68 HE2 TYR 68 -2.277 -2.447 -13.937 143 HH TYR 68 HH TYR 68 -4.319 -3.440 -16.268 144 H ILE 69 H ILE 69 -0.410 -5.148 -9.494 145 HA ILE 69 HA ILE 69 -1.658 -2.451 -9.211 146 HB ILE 69 HB ILE 69 -1.714 -3.606 -7.027 147 1HG1 ILE 69 1HG1 ILE 69 0.492 -1.527 -7.084 148 2HG1 ILE 69 2HG1 ILE 69 -1.229 -1.146 -7.171 149 1HG2 ILE 69 1HG2 ILE 69 0.303 -5.077 -7.626 150 2HG2 ILE 69 2HG2 ILE 69 1.303 -3.707 -7.143 151 3HG2 ILE 69 3HG2 ILE 69 0.233 -4.473 -5.970 152 1HD1 ILE 69 1HD1 ILE 69 -1.250 -2.747 -5.002 153 2HD1 ILE 69 2HD1 ILE 69 0.386 -2.102 -4.864 154 3HD1 ILE 69 3HD1 ILE 69 -0.995 -1.005 -4.893 155 H CYS 70 H CYS 70 -0.414 -1.085 -10.422 156 HA CYS 70 HA CYS 70 2.392 -1.815 -11.051 157 1HB CYS 70 1HB CYS 70 0.339 0.151 -12.064 158 2HB CYS 70 2HB CYS 70 2.033 0.306 -12.527 159 H PHE 71 H PHE 71 4.119 -0.751 -10.163 160 HA PHE 71 HA PHE 71 3.565 1.538 -8.313 161 1HB PHE 71 1HB PHE 71 5.617 -0.665 -8.492 162 2HB PHE 71 2HB PHE 71 5.952 0.783 -7.541 163 HD1 PHE 71 HD1 PHE 71 4.312 1.455 -5.716 164 HD2 PHE 71 HD2 PHE 71 4.184 -2.367 -7.672 165 HE1 PHE 71 HE1 PHE 71 2.938 0.551 -3.860 166 HE2 PHE 71 HE2 PHE 71 2.811 -3.270 -5.815 167 HZ PHE 71 HZ PHE 71 2.188 -1.812 -3.909 168 H CYS 72 H CYS 72 3.500 2.712 -10.552 169 HA CYS 72 HA CYS 72 6.064 3.150 -11.897 170 1HB CYS 72 1HB CYS 72 3.301 4.386 -12.062 171 2HB CYS 72 2HB CYS 72 4.623 4.818 -13.149 172 H LEU 73 H LEU 73 6.224 5.780 -12.378 173 HA LEU 73 HA LEU 73 7.462 6.922 -10.077 174 1HB LEU 73 1HB LEU 73 6.683 7.673 -12.821 175 2HB LEU 73 2HB LEU 73 6.813 9.042 -11.717 176 HG LEU 73 HG LEU 73 9.084 8.223 -11.058 177 1HD1 LEU 73 1HD1 LEU 73 8.611 6.271 -13.334 178 2HD1 LEU 73 2HD1 LEU 73 10.148 6.509 -12.503 179 3HD1 LEU 73 3HD1 LEU 73 8.765 5.850 -11.628 180 1HD2 LEU 73 1HD2 LEU 73 8.790 9.942 -12.822 181 2HD2 LEU 73 2HD2 LEU 73 10.194 8.923 -13.140 182 3HD2 LEU 73 3HD2 LEU 73 8.697 8.666 -14.035 183 HA PRO 74 HA PRO 74 4.079 8.556 -7.780 184 1HB PRO 74 1HB PRO 74 5.109 10.915 -6.835 185 2HB PRO 74 2HB PRO 74 5.571 9.325 -6.196 186 1HG PRO 74 1HG PRO 74 6.991 11.053 -8.171 187 2HG PRO 74 2HG PRO 74 7.647 10.117 -6.817 188 1HD PRO 74 1HD PRO 74 7.794 9.247 -9.364 189 2HD PRO 74 2HD PRO 74 7.604 8.132 -7.991 190 H ALA 75 H ALA 75 5.404 10.331 -10.454 191 HA ALA 75 HA ALA 75 3.153 12.281 -10.442 192 1HB ALA 75 1HB ALA 75 5.748 11.976 -11.972 193 2HB ALA 75 2HB ALA 75 4.555 13.213 -12.369 194 3HB ALA 75 3HB ALA 75 5.335 13.215 -10.787 195 H PHE 76 H PHE 76 3.126 9.226 -11.253 196 HA PHE 76 HA PHE 76 1.901 9.656 -13.963 197 1HB PHE 76 1HB PHE 76 3.520 7.402 -12.755 198 2HB PHE 76 2HB PHE 76 2.596 7.201 -14.244 199 HD1 PHE 76 HD1 PHE 76 5.078 9.548 -12.682 200 HD2 PHE 76 HD2 PHE 76 3.619 7.709 -16.279 201 HE1 PHE 76 HE1 PHE 76 6.915 10.603 -13.965 202 HE2 PHE 76 HE2 PHE 76 5.460 8.765 -17.562 203 HZ PHE 76 HZ PHE 76 7.109 10.209 -16.402 204 H GLU 77 H GLU 77 -0.056 8.488 -14.375 205 HA GLU 77 HA GLU 77 -1.276 7.004 -12.090 206 1HB GLU 77 1HB GLU 77 -1.753 9.646 -12.484 207 2HB GLU 77 2HB GLU 77 -2.991 8.955 -13.534 208 1HG GLU 77 1HG GLU 77 -4.173 8.940 -11.558 209 2HG GLU 77 2HG GLU 77 -3.362 7.382 -11.394 210 H GLY 78 H GLY 78 -3.457 6.040 -12.874 211 1HA GLY 78 1HA GLY 78 -4.791 5.338 -14.850 212 2HA GLY 78 2HA GLY 78 -3.283 5.291 -15.765 213 H ARG 79 H ARG 79 -5.110 3.074 -15.475 214 HA ARG 79 HA ARG 79 -4.373 1.172 -13.485 215 1HB ARG 79 1HB ARG 79 -6.204 1.292 -15.426 216 2HB ARG 79 2HB ARG 79 -5.007 0.324 -16.288 217 1HG ARG 79 1HG ARG 79 -6.108 -1.395 -15.238 218 2HG ARG 79 2HG ARG 79 -4.995 -0.983 -13.932 219 1HD ARG 79 1HD ARG 79 -6.664 -0.129 -12.619 220 2HD ARG 79 2HD ARG 79 -7.492 0.619 -13.999 221 HE ARG 79 HE ARG 79 -8.779 -1.341 -14.196 222 1HH1 ARG 79 1HH1 ARG 79 -6.015 -1.952 -12.163 223 2HH1 ARG 79 2HH1 ARG 79 -6.369 -3.637 -12.007 224 1HH2 ARG 79 1HH2 ARG 79 -9.131 -3.561 -14.087 225 2HH2 ARG 79 2HH2 ARG 79 -8.114 -4.541 -13.083 226 H ASN 80 H ASN 80 -3.093 1.631 -16.792 227 HA ASN 80 HA ASN 80 -0.769 -0.124 -16.097 228 1HB ASN 80 1HB ASN 80 -1.993 0.815 -18.712 229 2HB ASN 80 2HB ASN 80 -0.540 -0.180 -18.609 230 1HD2 ASN 80 2HD2 ASN 80 -1.170 -2.012 -16.616 231 2HD2 ASN 80 1HD2 ASN 80 -2.529 -2.925 -17.064 232 H CYS 81 H CYS 81 -1.121 2.749 -15.307 233 HA CYS 81 HA CYS 81 0.152 4.730 -15.236 234 1HB CYS 81 1HB CYS 81 2.206 2.800 -16.367 235 2HB CYS 81 2HB CYS 81 2.576 4.366 -15.649 236 H GLU 82 H GLU 82 -1.513 4.597 -17.470 237 HA GLU 82 HA GLU 82 0.184 5.502 -19.761 238 1HB GLU 82 1HB GLU 82 -1.900 5.097 -21.060 239 2HB GLU 82 2HB GLU 82 -1.395 3.665 -20.167 240 1HG GLU 82 1HG GLU 82 -3.189 5.448 -18.648 241 2HG GLU 82 2HG GLU 82 -3.926 4.750 -20.090 242 H THR 83 H THR 83 -0.718 7.082 -17.238 243 HA THR 83 HA THR 83 -1.750 9.447 -18.749 244 HB THR 83 HB THR 83 -2.765 8.404 -16.083 245 HG1 THR 83 HG1 THR 83 -3.853 8.373 -18.699 246 1HG2 THR 83 1HG2 THR 83 -3.386 10.818 -17.770 247 2HG2 THR 83 2HG2 THR 83 -4.605 10.140 -16.692 248 3HG2 THR 83 3HG2 THR 83 -3.078 10.730 -16.036 249 H HIS 84 H HIS 84 -0.045 10.856 -18.514 250 HA HIS 84 HA HIS 84 1.686 10.852 -16.151 251 1HB HIS 84 1HB HIS 84 2.034 11.452 -18.742 252 2HB HIS 84 2HB HIS 84 1.645 13.069 -18.154 253 HD1 HIS 84 HD1 HIS 84 4.540 12.057 -19.116 254 HD2 HIS 84 HD2 HIS 84 3.273 12.504 -15.170 255 HE1 HIS 84 HE1 HIS 84 6.633 12.338 -17.718 256 H LYS 85 H LYS 85 1.286 12.009 -14.314 257 HA LYS 85 HA LYS 85 -0.974 13.906 -14.221 258 1HB LYS 85 1HB LYS 85 0.901 12.572 -12.272 259 2HB LYS 85 2HB LYS 85 -0.143 13.892 -11.743 260 1HG LYS 85 1HG LYS 85 -1.363 11.662 -13.324 261 2HG LYS 85 2HG LYS 85 -0.981 11.376 -11.625 262 1HD LYS 85 1HD LYS 85 -2.352 13.237 -10.929 263 2HD LYS 85 2HD LYS 85 -2.590 13.751 -12.599 264 1HE LYS 85 1HE LYS 85 -3.374 10.945 -11.985 265 2HE LYS 85 2HE LYS 85 -4.399 12.220 -11.298 266 1HZ LYS 85 1HZ LYS 85 -3.520 12.085 -14.134 267 2HZ LYS 85 2HZ LYS 85 -5.062 11.638 -13.576 268 3HZ LYS 85 3HZ LYS 85 -4.552 13.252 -13.457 269 H ASP 86 H ASP 86 2.564 13.946 -13.980 270 HA ASP 86 HA ASP 86 4.105 15.737 -13.923 271 1HB ASP 86 1HB ASP 86 2.610 16.013 -16.057 272 2HB ASP 86 2HB ASP 86 1.920 17.382 -15.185 273 H ASP 87 H ASP 87 2.736 15.457 -11.498 274 HA ASP 87 HA ASP 87 2.156 18.293 -10.697 275 1HB ASP 87 1HB ASP 87 0.373 16.400 -10.622 276 2HB ASP 87 2HB ASP 87 1.286 15.797 -9.237 277 H GLY 88 H GLY 88 3.418 19.142 -9.063 278 1HA GLY 88 1HA GLY 88 5.850 17.859 -8.275 279 2HA GLY 88 2HA GLY 88 5.181 19.306 -7.523 280 H SER 89 H SER 89 5.724 15.959 -7.140 281 HA SER 89 HA SER 89 4.048 15.945 -4.647 282 1HB SER 89 1HB SER 89 3.789 13.507 -5.126 283 2HB SER 89 2HB SER 89 3.139 14.513 -6.416 284 HG SER 89 HG SER 89 5.473 12.957 -6.335 285 H ALA 90 H ALA 90 6.060 16.745 -3.569 286 HA ALA 90 HA ALA 90 8.045 16.409 -2.333 287 1HB ALA 90 1HB ALA 90 6.283 14.500 -1.724 288 2HB ALA 90 2HB ALA 90 7.514 13.465 -2.447 289 3HB ALA 90 3HB ALA 90 7.916 14.475 -1.058 Start of MODEL 6 1 1H SER 45 1H SER 45 0.653 -17.799 -4.757 2 2H SER 45 2H SER 45 1.444 -16.320 -4.491 3 3H SER 45 3H SER 45 -0.241 -16.418 -4.331 4 HA SER 45 HA SER 45 0.276 -15.362 -6.427 5 1HB SER 45 1HB SER 45 1.634 -16.825 -8.030 6 2HB SER 45 2HB SER 45 2.523 -16.159 -6.662 7 HG SER 45 HG SER 45 2.683 -18.102 -5.811 8 H ASP 46 H ASP 46 -2.027 -15.740 -6.484 9 HA ASP 46 HA ASP 46 -3.012 -18.397 -7.351 10 1HB ASP 46 1HB ASP 46 -4.359 -15.762 -6.668 11 2HB ASP 46 2HB ASP 46 -5.214 -17.270 -6.995 12 H GLY 47 H GLY 47 -1.390 -17.290 -9.326 13 1HA GLY 47 1HA GLY 47 -2.348 -17.546 -11.737 14 2HA GLY 47 2HA GLY 47 -3.275 -16.106 -11.313 15 H ASP 48 H ASP 48 -1.799 -15.633 -13.415 16 HA ASP 48 HA ASP 48 0.568 -14.109 -12.388 17 1HB ASP 48 1HB ASP 48 0.747 -16.443 -13.769 18 2HB ASP 48 2HB ASP 48 0.701 -15.296 -15.107 19 H GLN 49 H GLN 49 -0.747 -12.172 -12.519 20 HA GLN 49 HA GLN 49 -2.005 -11.419 -15.069 21 1HB GLN 49 1HB GLN 49 -1.578 -10.093 -12.380 22 2HB GLN 49 2HB GLN 49 -2.425 -9.304 -13.710 23 1HG GLN 49 1HG GLN 49 -4.181 -10.302 -12.522 24 2HG GLN 49 2HG GLN 49 -3.846 -11.497 -13.777 25 1HE2 GLN 49 2HE2 GLN 49 -3.327 -13.586 -13.069 26 2HE2 GLN 49 1HE2 GLN 49 -2.940 -13.990 -11.465 27 H CYS 50 H CYS 50 0.961 -10.714 -13.287 28 HA CYS 50 HA CYS 50 1.762 -8.603 -15.213 29 1HB CYS 50 1HB CYS 50 3.002 -9.791 -12.709 30 2HB CYS 50 2HB CYS 50 3.700 -8.449 -13.616 31 H ALA 51 H ALA 51 1.502 -11.122 -16.448 32 HA ALA 51 HA ALA 51 4.163 -12.398 -16.567 33 1HB ALA 51 1HB ALA 51 1.537 -12.841 -18.026 34 2HB ALA 51 2HB ALA 51 2.942 -13.901 -18.147 35 3HB ALA 51 3HB ALA 51 2.101 -13.723 -16.607 36 H SER 52 H SER 52 2.232 -10.114 -18.420 37 HA SER 52 HA SER 52 4.353 -10.074 -20.545 38 1HB SER 52 1HB SER 52 1.852 -10.733 -20.960 39 2HB SER 52 2HB SER 52 1.552 -9.002 -20.829 40 HG SER 52 HG SER 52 1.992 -9.695 -22.988 41 H SER 53 H SER 53 4.189 -8.556 -17.900 42 HA SER 53 HA SER 53 4.464 -6.356 -17.087 43 1HB SER 53 1HB SER 53 6.134 -5.188 -18.348 44 2HB SER 53 2HB SER 53 6.430 -6.903 -18.607 45 HG SER 53 HG SER 53 6.434 -5.598 -20.542 46 HA PRO 54 HA PRO 54 0.851 -4.694 -19.521 47 1HB PRO 54 1HB PRO 54 -0.853 -4.411 -17.400 48 2HB PRO 54 2HB PRO 54 -0.725 -5.908 -18.343 49 1HG PRO 54 1HG PRO 54 0.449 -5.233 -15.694 50 2HG PRO 54 2HG PRO 54 -0.243 -6.759 -16.267 51 1HD PRO 54 1HD PRO 54 2.440 -6.287 -16.100 52 2HD PRO 54 2HD PRO 54 1.710 -7.425 -17.252 53 H CYS 55 H CYS 55 2.414 -3.777 -16.503 54 HA CYS 55 HA CYS 55 1.433 -1.105 -16.236 55 1HB CYS 55 1HB CYS 55 4.142 -2.295 -15.541 56 2HB CYS 55 2HB CYS 55 3.472 -0.815 -14.858 57 H GLN 56 H GLN 56 2.737 0.899 -16.698 58 HA GLN 56 HA GLN 56 4.443 0.644 -19.150 59 1HB GLN 56 1HB GLN 56 1.922 1.319 -19.382 60 2HB GLN 56 2HB GLN 56 2.460 2.873 -18.745 61 1HG GLN 56 1HG GLN 56 3.663 3.388 -20.630 62 2HG GLN 56 2HG GLN 56 4.086 1.705 -20.945 63 1HE2 GLN 56 2HE2 GLN 56 1.161 3.828 -20.933 64 2HE2 GLN 56 1HE2 GLN 56 0.437 3.079 -22.273 65 H ASN 57 H ASN 57 5.458 2.964 -19.565 66 HA ASN 57 HA ASN 57 7.021 4.560 -18.801 67 1HB ASN 57 1HB ASN 57 4.713 4.653 -16.868 68 2HB ASN 57 2HB ASN 57 6.099 5.719 -16.645 69 1HD2 ASN 57 2HD2 ASN 57 3.361 6.561 -17.405 70 2HD2 ASN 57 1HD2 ASN 57 3.496 7.308 -18.922 71 H GLY 58 H GLY 58 7.632 1.843 -18.076 72 1HA GLY 58 1HA GLY 58 9.116 0.678 -16.683 73 2HA GLY 58 2HA GLY 58 9.641 2.253 -16.088 74 H GLY 59 H GLY 59 6.298 1.212 -15.869 75 1HA GLY 59 1HA GLY 59 6.306 1.620 -12.984 76 2HA GLY 59 2HA GLY 59 4.928 1.086 -13.949 77 H SER 60 H SER 60 6.018 0.002 -11.380 78 HA SER 60 HA SER 60 7.070 -2.662 -12.130 79 1HB SER 60 1HB SER 60 7.106 -0.886 -9.873 80 2HB SER 60 2HB SER 60 6.416 -2.421 -9.354 81 HG SER 60 HG SER 60 8.880 -1.995 -10.702 82 H CYS 61 H CYS 61 5.774 -4.447 -12.330 83 HA CYS 61 HA CYS 61 2.871 -4.171 -11.719 84 1HB CYS 61 1HB CYS 61 3.964 -4.913 -13.961 85 2HB CYS 61 2HB CYS 61 4.251 -6.448 -13.140 86 H LYS 62 H LYS 62 1.962 -5.292 -10.035 87 HA LYS 62 HA LYS 62 3.548 -7.505 -8.772 88 1HB LYS 62 1HB LYS 62 3.182 -4.997 -7.745 89 2HB LYS 62 2HB LYS 62 1.791 -5.840 -7.061 90 1HG LYS 62 1HG LYS 62 3.323 -6.408 -5.451 91 2HG LYS 62 2HG LYS 62 3.688 -7.697 -6.598 92 1HD LYS 62 1HD LYS 62 5.674 -6.746 -7.248 93 2HD LYS 62 2HD LYS 62 5.082 -5.100 -7.018 94 1HE LYS 62 1HE LYS 62 6.735 -5.522 -5.291 95 2HE LYS 62 2HE LYS 62 5.143 -5.556 -4.505 96 1HZ LYS 62 1HZ LYS 62 6.458 -7.969 -5.625 97 2HZ LYS 62 2HZ LYS 62 6.603 -7.512 -3.998 98 3HZ LYS 62 3HZ LYS 62 5.078 -7.907 -4.636 99 H ASP 63 H ASP 63 2.313 -9.291 -8.127 100 HA ASP 63 HA ASP 63 -0.393 -9.509 -9.238 101 1HB ASP 63 1HB ASP 63 -0.127 -11.857 -8.540 102 2HB ASP 63 2HB ASP 63 1.321 -11.299 -9.372 103 H GLN 64 H GLN 64 -2.208 -9.009 -8.099 104 HA GLN 64 HA GLN 64 -2.128 -9.199 -5.103 105 1HB GLN 64 1HB GLN 64 -3.412 -7.107 -6.893 106 2HB GLN 64 2HB GLN 64 -3.554 -7.153 -5.136 107 1HG GLN 64 1HG GLN 64 -0.896 -7.023 -6.582 108 2HG GLN 64 2HG GLN 64 -1.759 -5.593 -6.013 109 1HE2 GLN 64 2HE2 GLN 64 0.250 -8.269 -5.020 110 2HE2 GLN 64 1HE2 GLN 64 0.290 -7.886 -3.367 111 H LEU 65 H LEU 65 -3.052 -11.264 -6.870 112 HA LEU 65 HA LEU 65 -4.895 -12.698 -7.159 113 1HB LEU 65 1HB LEU 65 -5.325 -11.166 -4.691 114 2HB LEU 65 2HB LEU 65 -6.838 -11.701 -5.419 115 HG LEU 65 HG LEU 65 -5.904 -14.014 -5.557 116 1HD1 LEU 65 1HD1 LEU 65 -3.583 -12.622 -4.229 117 2HD1 LEU 65 2HD1 LEU 65 -3.865 -14.343 -3.973 118 3HD1 LEU 65 3HD1 LEU 65 -3.565 -13.732 -5.600 119 1HD2 LEU 65 1HD2 LEU 65 -5.944 -12.692 -2.827 120 2HD2 LEU 65 2HD2 LEU 65 -7.311 -13.431 -3.660 121 3HD2 LEU 65 3HD2 LEU 65 -5.983 -14.436 -3.083 122 H GLN 66 H GLN 66 -6.923 -12.771 -8.282 123 HA GLN 66 HA GLN 66 -8.532 -12.004 -9.820 124 1HB GLN 66 1HB GLN 66 -8.463 -10.180 -7.542 125 2HB GLN 66 2HB GLN 66 -8.975 -9.348 -9.009 126 1HG GLN 66 1HG GLN 66 -10.604 -11.260 -9.392 127 2HG GLN 66 2HG GLN 66 -10.209 -11.816 -7.765 128 1HE2 GLN 66 2HE2 GLN 66 -12.051 -11.244 -6.557 129 2HE2 GLN 66 1HE2 GLN 66 -12.707 -9.679 -6.500 130 H SER 67 H SER 67 -7.077 -8.794 -9.302 131 HA SER 67 HA SER 67 -6.181 -8.835 -12.163 132 1HB SER 67 1HB SER 67 -6.772 -6.430 -10.423 133 2HB SER 67 2HB SER 67 -6.721 -6.508 -12.183 134 HG SER 67 HG SER 67 -8.820 -6.709 -11.846 135 H TYR 68 H TYR 68 -4.639 -6.395 -11.836 136 HA TYR 68 HA TYR 68 -2.437 -7.294 -10.011 137 1HB TYR 68 1HB TYR 68 -0.872 -6.644 -11.850 138 2HB TYR 68 2HB TYR 68 -1.948 -7.960 -12.315 139 HD1 TYR 68 HD1 TYR 68 -1.271 -4.334 -12.687 140 HD2 TYR 68 HD2 TYR 68 -3.638 -7.666 -14.012 141 HE1 TYR 68 HE1 TYR 68 -2.099 -2.987 -14.597 142 HE2 TYR 68 HE2 TYR 68 -4.465 -6.318 -15.922 143 HH TYR 68 HH TYR 68 -4.755 -3.788 -16.395 144 H ILE 69 H ILE 69 -0.764 -5.419 -9.831 145 HA ILE 69 HA ILE 69 -2.145 -2.762 -9.814 146 HB ILE 69 HB ILE 69 -2.213 -3.812 -7.580 147 1HG1 ILE 69 1HG1 ILE 69 -0.113 -1.627 -7.671 148 2HG1 ILE 69 2HG1 ILE 69 -1.847 -1.341 -7.822 149 1HG2 ILE 69 1HG2 ILE 69 -0.186 -5.258 -7.944 150 2HG2 ILE 69 2HG2 ILE 69 0.815 -3.824 -7.713 151 3HG2 ILE 69 3HG2 ILE 69 -0.192 -4.419 -6.394 152 1HD1 ILE 69 1HD1 ILE 69 -1.895 -2.806 -5.584 153 2HD1 ILE 69 2HD1 ILE 69 -0.263 -2.155 -5.428 154 3HD1 ILE 69 3HD1 ILE 69 -1.641 -1.060 -5.544 155 H CYS 70 H CYS 70 -0.907 -1.249 -10.850 156 HA CYS 70 HA CYS 70 1.931 -1.909 -11.472 157 1HB CYS 70 1HB CYS 70 -0.171 -0.034 -12.562 158 2HB CYS 70 2HB CYS 70 1.520 0.106 -13.041 159 H PHE 71 H PHE 71 3.596 -0.740 -10.598 160 HA PHE 71 HA PHE 71 2.944 1.445 -8.682 161 1HB PHE 71 1HB PHE 71 5.278 -0.382 -9.247 162 2HB PHE 71 2HB PHE 71 5.493 1.054 -8.246 163 HD1 PHE 71 HD1 PHE 71 3.526 1.383 -6.429 164 HD2 PHE 71 HD2 PHE 71 4.732 -2.361 -8.153 165 HE1 PHE 71 HE1 PHE 71 2.558 0.178 -4.489 166 HE2 PHE 71 HE2 PHE 71 3.763 -3.567 -6.215 167 HZ PHE 71 HZ PHE 71 2.677 -2.297 -4.382 168 H CYS 72 H CYS 72 2.555 3.165 -10.189 169 HA CYS 72 HA CYS 72 4.398 3.814 -12.341 170 1HB CYS 72 1HB CYS 72 2.285 5.494 -10.945 171 2HB CYS 72 2HB CYS 72 2.972 5.807 -12.536 172 H LEU 73 H LEU 73 5.067 6.349 -12.265 173 HA LEU 73 HA LEU 73 7.109 6.550 -10.174 174 1HB LEU 73 1HB LEU 73 6.445 7.675 -12.776 175 2HB LEU 73 2HB LEU 73 6.933 8.946 -11.656 176 HG LEU 73 HG LEU 73 8.982 7.630 -11.120 177 1HD1 LEU 73 1HD1 LEU 73 7.894 5.821 -13.294 178 2HD1 LEU 73 2HD1 LEU 73 9.546 5.743 -12.680 179 3HD1 LEU 73 3HD1 LEU 73 8.189 5.390 -11.610 180 1HD2 LEU 73 1HD2 LEU 73 8.427 8.348 -14.006 181 2HD2 LEU 73 2HD2 LEU 73 9.234 9.332 -12.784 182 3HD2 LEU 73 3HD2 LEU 73 10.033 7.899 -13.430 183 HA PRO 74 HA PRO 74 5.048 9.207 -7.345 184 1HB PRO 74 1HB PRO 74 6.713 11.358 -6.989 185 2HB PRO 74 2HB PRO 74 7.040 9.747 -6.317 186 1HG PRO 74 1HG PRO 74 8.130 11.022 -8.784 187 2HG PRO 74 2HG PRO 74 8.962 10.054 -7.556 188 1HD PRO 74 1HD PRO 74 8.217 9.024 -9.932 189 2HD PRO 74 2HD PRO 74 8.227 8.054 -8.442 190 H ALA 75 H ALA 75 6.029 10.661 -10.380 191 HA ALA 75 HA ALA 75 3.915 12.763 -10.061 192 1HB ALA 75 1HB ALA 75 6.576 12.564 -11.402 193 2HB ALA 75 2HB ALA 75 5.359 13.582 -12.171 194 3HB ALA 75 3HB ALA 75 5.868 13.914 -10.515 195 H PHE 76 H PHE 76 3.766 9.793 -11.041 196 HA PHE 76 HA PHE 76 2.632 10.348 -13.765 197 1HB PHE 76 1HB PHE 76 3.960 7.998 -12.428 198 2HB PHE 76 2HB PHE 76 2.929 7.746 -13.835 199 HD1 PHE 76 HD1 PHE 76 5.603 10.188 -12.779 200 HD2 PHE 76 HD2 PHE 76 4.033 7.647 -15.868 201 HE1 PHE 76 HE1 PHE 76 7.465 10.850 -14.268 202 HE2 PHE 76 HE2 PHE 76 5.902 8.309 -17.357 203 HZ PHE 76 HZ PHE 76 7.619 9.907 -16.553 204 H GLU 77 H GLU 77 0.709 8.914 -14.290 205 HA GLU 77 HA GLU 77 -0.888 8.018 -11.951 206 1HB GLU 77 1HB GLU 77 -1.099 10.584 -12.827 207 2HB GLU 77 2HB GLU 77 -2.291 9.803 -13.865 208 1HG GLU 77 1HG GLU 77 -2.950 8.657 -11.516 209 2HG GLU 77 2HG GLU 77 -2.311 10.187 -10.916 210 H GLY 78 H GLY 78 -3.048 7.067 -12.820 211 1HA GLY 78 1HA GLY 78 -4.234 6.111 -14.764 212 2HA GLY 78 2HA GLY 78 -2.668 5.901 -15.547 213 H ARG 79 H ARG 79 -4.613 3.809 -15.104 214 HA ARG 79 HA ARG 79 -3.932 2.172 -12.826 215 1HB ARG 79 1HB ARG 79 -6.013 2.026 -14.189 216 2HB ARG 79 2HB ARG 79 -5.059 1.433 -15.548 217 1HG ARG 79 1HG ARG 79 -4.731 -0.633 -14.599 218 2HG ARG 79 2HG ARG 79 -4.732 0.006 -12.955 219 1HD ARG 79 1HD ARG 79 -6.803 -1.042 -12.940 220 2HD ARG 79 2HD ARG 79 -7.300 0.526 -13.605 221 HE ARG 79 HE ARG 79 -6.567 -0.754 -15.871 222 1HH1 ARG 79 1HH1 ARG 79 -8.732 -1.586 -13.271 223 2HH1 ARG 79 2HH1 ARG 79 -9.538 -2.809 -14.190 224 1HH2 ARG 79 1HH2 ARG 79 -7.545 -2.444 -16.994 225 2HH2 ARG 79 2HH2 ARG 79 -8.876 -3.290 -16.278 226 H ASN 80 H ASN 80 -2.791 2.250 -16.201 227 HA ASN 80 HA ASN 80 -0.669 0.253 -15.499 228 1HB ASN 80 1HB ASN 80 -2.114 1.089 -18.011 229 2HB ASN 80 2HB ASN 80 -0.572 0.239 -18.113 230 1HD2 ASN 80 2HD2 ASN 80 -3.529 -0.612 -18.652 231 2HD2 ASN 80 1HD2 ASN 80 -3.669 -2.078 -17.807 232 H CYS 81 H CYS 81 -0.617 3.180 -14.876 233 HA CYS 81 HA CYS 81 0.898 4.985 -14.993 234 1HB CYS 81 1HB CYS 81 2.669 2.832 -16.203 235 2HB CYS 81 2HB CYS 81 3.218 4.320 -15.444 236 H GLU 82 H GLU 82 -0.903 5.111 -17.032 237 HA GLU 82 HA GLU 82 0.743 5.719 -19.467 238 1HB GLU 82 1HB GLU 82 -1.370 5.255 -20.701 239 2HB GLU 82 2HB GLU 82 -0.852 3.870 -19.742 240 1HG GLU 82 1HG GLU 82 -2.487 4.293 -18.059 241 2HG GLU 82 2HG GLU 82 -2.819 5.909 -18.684 242 H THR 83 H THR 83 -0.056 7.449 -17.036 243 HA THR 83 HA THR 83 -1.109 9.736 -18.643 244 HB THR 83 HB THR 83 -2.121 8.819 -15.931 245 HG1 THR 83 HG1 THR 83 -3.995 8.316 -17.118 246 1HG2 THR 83 1HG2 THR 83 -2.939 11.086 -17.764 247 2HG2 THR 83 2HG2 THR 83 -3.878 10.559 -16.367 248 3HG2 THR 83 3HG2 THR 83 -2.262 11.228 -16.142 249 H HIS 84 H HIS 84 0.758 10.986 -18.517 250 HA HIS 84 HA HIS 84 2.354 11.168 -16.064 251 1HB HIS 84 1HB HIS 84 2.972 11.334 -18.628 252 2HB HIS 84 2HB HIS 84 2.550 13.033 -18.413 253 HD1 HIS 84 HD1 HIS 84 5.510 11.814 -18.851 254 HD2 HIS 84 HD2 HIS 84 3.876 13.139 -15.253 255 HE1 HIS 84 HE1 HIS 84 7.464 12.397 -17.349 256 H LYS 85 H LYS 85 2.091 12.688 -14.473 257 HA LYS 85 HA LYS 85 -0.104 14.650 -14.699 258 1HB LYS 85 1HB LYS 85 1.842 13.895 -12.492 259 2HB LYS 85 2HB LYS 85 0.464 14.977 -12.287 260 1HG LYS 85 1HG LYS 85 -0.097 12.327 -13.520 261 2HG LYS 85 2HG LYS 85 0.302 12.332 -11.801 262 1HD LYS 85 1HD LYS 85 -1.796 14.138 -13.031 263 2HD LYS 85 2HD LYS 85 -2.165 12.575 -12.300 264 1HE LYS 85 1HE LYS 85 -1.880 13.368 -10.171 265 2HE LYS 85 2HE LYS 85 -0.498 14.381 -10.634 266 1HZ LYS 85 1HZ LYS 85 -2.031 15.869 -11.784 267 2HZ LYS 85 2HZ LYS 85 -3.349 14.921 -11.285 268 3HZ LYS 85 3HZ LYS 85 -2.422 15.755 -10.135 269 H ASP 86 H ASP 86 0.845 16.739 -13.151 270 HA ASP 86 HA ASP 86 1.992 18.794 -13.364 271 1HB ASP 86 1HB ASP 86 3.740 16.787 -12.869 272 2HB ASP 86 2HB ASP 86 4.384 17.363 -14.406 273 H ASP 87 H ASP 87 0.403 18.313 -15.585 274 HA ASP 87 HA ASP 87 2.110 18.857 -17.975 275 1HB ASP 87 1HB ASP 87 0.384 17.015 -17.921 276 2HB ASP 87 2HB ASP 87 -0.856 18.258 -17.749 277 H GLY 88 H GLY 88 2.504 21.112 -17.173 278 1HA GLY 88 1HA GLY 88 0.203 22.892 -17.862 279 2HA GLY 88 2HA GLY 88 1.205 23.226 -16.449 280 H SER 89 H SER 89 3.661 23.292 -17.007 281 HA SER 89 HA SER 89 5.381 24.477 -18.110 282 1HB SER 89 1HB SER 89 4.568 22.502 -19.668 283 2HB SER 89 2HB SER 89 3.978 23.817 -20.683 284 HG SER 89 HG SER 89 5.960 24.083 -21.295 285 H ALA 90 H ALA 90 3.232 26.131 -17.258 286 HA ALA 90 HA ALA 90 3.342 28.266 -19.345 287 1HB ALA 90 1HB ALA 90 1.175 26.684 -19.066 288 2HB ALA 90 2HB ALA 90 0.807 27.882 -17.825 289 3HB ALA 90 3HB ALA 90 1.045 28.389 -19.498 Start of MODEL 7 1 1H SER 45 1H SER 45 -3.451 -16.621 -3.987 2 2H SER 45 2H SER 45 -5.126 -16.517 -3.722 3 3H SER 45 3H SER 45 -4.270 -17.902 -3.235 4 HA SER 45 HA SER 45 -3.866 -18.553 -5.488 5 1HB SER 45 1HB SER 45 -6.362 -18.613 -6.170 6 2HB SER 45 2HB SER 45 -5.939 -19.303 -4.606 7 HG SER 45 HG SER 45 -6.851 -17.639 -3.610 8 H ASP 46 H ASP 46 -2.586 -16.903 -6.600 9 HA ASP 46 HA ASP 46 -4.251 -15.082 -8.308 10 1HB ASP 46 1HB ASP 46 -2.382 -13.449 -8.080 11 2HB ASP 46 2HB ASP 46 -3.102 -13.845 -6.521 12 H GLY 47 H GLY 47 -3.880 -15.378 -10.468 13 1HA GLY 47 1HA GLY 47 -1.843 -17.296 -11.339 14 2HA GLY 47 2HA GLY 47 -3.015 -16.484 -12.379 15 H ASP 48 H ASP 48 -1.449 -15.848 -13.924 16 HA ASP 48 HA ASP 48 0.697 -13.989 -12.983 17 1HB ASP 48 1HB ASP 48 0.816 -16.182 -14.565 18 2HB ASP 48 2HB ASP 48 0.524 -14.952 -15.794 19 H GLN 49 H GLN 49 0.105 -11.864 -13.122 20 HA GLN 49 HA GLN 49 -1.726 -11.023 -15.345 21 1HB GLN 49 1HB GLN 49 -1.156 -9.859 -12.600 22 2HB GLN 49 2HB GLN 49 -2.272 -9.158 -13.774 23 1HG GLN 49 1HG GLN 49 -3.795 -10.437 -12.637 24 2HG GLN 49 2HG GLN 49 -3.211 -11.689 -13.735 25 1HE2 GLN 49 2HE2 GLN 49 -3.610 -13.381 -12.116 26 2HE2 GLN 49 1HE2 GLN 49 -2.604 -13.547 -10.760 27 H CYS 50 H CYS 50 1.362 -10.450 -13.757 28 HA CYS 50 HA CYS 50 1.909 -8.059 -15.442 29 1HB CYS 50 1HB CYS 50 3.370 -9.455 -13.178 30 2HB CYS 50 2HB CYS 50 3.953 -7.991 -13.970 31 H ALA 51 H ALA 51 1.740 -10.854 -16.566 32 HA ALA 51 HA ALA 51 4.538 -11.520 -17.255 33 1HB ALA 51 1HB ALA 51 2.548 -13.100 -16.703 34 2HB ALA 51 2HB ALA 51 2.017 -12.765 -18.351 35 3HB ALA 51 3HB ALA 51 3.583 -13.526 -18.067 36 H SER 52 H SER 52 1.750 -9.918 -18.678 37 HA SER 52 HA SER 52 3.083 -9.835 -21.348 38 1HB SER 52 1HB SER 52 0.748 -8.854 -21.906 39 2HB SER 52 2HB SER 52 0.835 -10.557 -21.467 40 HG SER 52 HG SER 52 -0.621 -8.735 -20.332 41 H SER 53 H SER 53 3.720 -8.127 -18.817 42 HA SER 53 HA SER 53 4.202 -5.874 -18.304 43 1HB SER 53 1HB SER 53 5.444 -4.861 -20.062 44 2HB SER 53 2HB SER 53 5.601 -6.593 -20.336 45 HG SER 53 HG SER 53 4.933 -5.977 -22.261 46 HA PRO 54 HA PRO 54 0.004 -4.423 -19.857 47 1HB PRO 54 1HB PRO 54 -1.252 -4.300 -17.428 48 2HB PRO 54 2HB PRO 54 -1.257 -5.752 -18.448 49 1HG PRO 54 1HG PRO 54 0.404 -5.123 -16.061 50 2HG PRO 54 2HG PRO 54 -0.340 -6.654 -16.545 51 1HD PRO 54 1HD PRO 54 2.300 -6.093 -16.904 52 2HD PRO 54 2HD PRO 54 1.383 -7.199 -17.950 53 H CYS 55 H CYS 55 2.147 -3.529 -17.219 54 HA CYS 55 HA CYS 55 1.159 -0.708 -17.309 55 1HB CYS 55 1HB CYS 55 2.873 -2.278 -15.355 56 2HB CYS 55 2HB CYS 55 2.458 -0.574 -15.155 57 H GLN 56 H GLN 56 2.570 0.955 -17.910 58 HA GLN 56 HA GLN 56 5.287 0.117 -18.876 59 1HB GLN 56 1HB GLN 56 4.899 1.740 -20.706 60 2HB GLN 56 2HB GLN 56 3.613 0.540 -20.649 61 1HG GLN 56 1HG GLN 56 2.129 2.075 -19.517 62 2HG GLN 56 2HG GLN 56 3.425 3.258 -19.325 63 1HE2 GLN 56 2HE2 GLN 56 0.811 2.432 -21.310 64 2HE2 GLN 56 1HE2 GLN 56 1.263 3.302 -22.695 65 H ASN 57 H ASN 57 5.929 2.918 -19.556 66 HA ASN 57 HA ASN 57 6.997 4.758 -18.556 67 1HB ASN 57 1HB ASN 57 4.516 4.278 -16.914 68 2HB ASN 57 2HB ASN 57 5.625 5.578 -16.482 69 1HD2 ASN 57 2HD2 ASN 57 2.911 6.007 -17.480 70 2HD2 ASN 57 1HD2 ASN 57 3.045 6.819 -18.964 71 H GLY 58 H GLY 58 7.767 1.972 -17.718 72 1HA GLY 58 1HA GLY 58 9.237 0.986 -16.181 73 2HA GLY 58 2HA GLY 58 9.685 2.627 -15.720 74 H GLY 59 H GLY 59 6.437 1.248 -15.472 75 1HA GLY 59 1HA GLY 59 6.293 2.032 -12.661 76 2HA GLY 59 2HA GLY 59 5.008 1.255 -13.587 77 H SER 60 H SER 60 5.324 0.296 -11.102 78 HA SER 60 HA SER 60 7.003 -2.178 -11.346 79 1HB SER 60 1HB SER 60 6.263 -0.282 -9.213 80 2HB SER 60 2HB SER 60 6.160 -1.973 -8.730 81 HG SER 60 HG SER 60 8.387 -0.714 -9.971 82 H CYS 61 H CYS 61 5.703 -3.809 -12.149 83 HA CYS 61 HA CYS 61 2.819 -3.890 -11.520 84 1HB CYS 61 1HB CYS 61 4.047 -4.366 -13.758 85 2HB CYS 61 2HB CYS 61 4.439 -5.930 -13.044 86 H LYS 62 H LYS 62 1.978 -5.107 -9.900 87 HA LYS 62 HA LYS 62 3.652 -7.303 -8.721 88 1HB LYS 62 1HB LYS 62 2.268 -4.947 -7.606 89 2HB LYS 62 2HB LYS 62 1.944 -6.445 -6.732 90 1HG LYS 62 1HG LYS 62 4.779 -5.978 -7.478 91 2HG LYS 62 2HG LYS 62 4.117 -4.888 -6.259 92 1HD LYS 62 1HD LYS 62 3.884 -7.906 -6.112 93 2HD LYS 62 2HD LYS 62 5.156 -6.982 -5.311 94 1HE LYS 62 1HE LYS 62 2.390 -6.009 -4.832 95 2HE LYS 62 2HE LYS 62 2.801 -7.572 -4.098 96 1HZ LYS 62 1HZ LYS 62 4.856 -6.564 -3.256 97 2HZ LYS 62 2HZ LYS 62 4.375 -5.059 -3.880 98 3HZ LYS 62 3HZ LYS 62 3.481 -5.791 -2.635 99 H ASP 63 H ASP 63 2.491 -9.205 -8.130 100 HA ASP 63 HA ASP 63 -0.115 -9.544 -9.506 101 1HB ASP 63 1HB ASP 63 0.360 -11.942 -9.083 102 2HB ASP 63 2HB ASP 63 1.730 -11.142 -9.851 103 H GLN 64 H GLN 64 -1.981 -9.317 -8.364 104 HA GLN 64 HA GLN 64 -1.905 -9.676 -5.388 105 1HB GLN 64 1HB GLN 64 -3.495 -7.991 -7.318 106 2HB GLN 64 2HB GLN 64 -4.115 -8.307 -5.698 107 1HG GLN 64 1HG GLN 64 -1.353 -7.195 -6.246 108 2HG GLN 64 2HG GLN 64 -2.757 -6.190 -5.887 109 1HE2 GLN 64 2HE2 GLN 64 -0.121 -7.528 -4.394 110 2HE2 GLN 64 1HE2 GLN 64 -0.741 -7.712 -2.825 111 H LEU 65 H LEU 65 -4.559 -10.057 -4.858 112 HA LEU 65 HA LEU 65 -4.992 -12.830 -5.632 113 1HB LEU 65 1HB LEU 65 -6.186 -10.758 -3.868 114 2HB LEU 65 2HB LEU 65 -7.276 -12.043 -4.388 115 HG LEU 65 HG LEU 65 -4.575 -12.887 -3.469 116 1HD1 LEU 65 1HD1 LEU 65 -6.739 -11.921 -1.574 117 2HD1 LEU 65 2HD1 LEU 65 -5.278 -12.786 -1.096 118 3HD1 LEU 65 3HD1 LEU 65 -5.157 -11.174 -1.801 119 1HD2 LEU 65 1HD2 LEU 65 -7.426 -13.873 -3.209 120 2HD2 LEU 65 2HD2 LEU 65 -6.111 -14.601 -4.131 121 3HD2 LEU 65 3HD2 LEU 65 -6.078 -14.640 -2.368 122 H GLN 66 H GLN 66 -5.805 -13.356 -7.614 123 HA GLN 66 HA GLN 66 -7.103 -13.282 -9.587 124 1HB GLN 66 1HB GLN 66 -8.832 -12.233 -7.362 125 2HB GLN 66 2HB GLN 66 -9.469 -12.291 -9.006 126 1HG GLN 66 1HG GLN 66 -9.264 -14.635 -9.134 127 2HG GLN 66 2HG GLN 66 -8.133 -14.701 -7.782 128 1HE2 GLN 66 2HE2 GLN 66 -9.043 -14.294 -5.581 129 2HE2 GLN 66 1HE2 GLN 66 -10.693 -14.566 -5.290 130 H SER 67 H SER 67 -5.390 -10.839 -8.833 131 HA SER 67 HA SER 67 -6.202 -9.142 -11.047 132 1HB SER 67 1HB SER 67 -6.733 -7.167 -9.566 133 2HB SER 67 2HB SER 67 -7.906 -8.474 -9.445 134 HG SER 67 HG SER 67 -7.454 -8.222 -7.384 135 H TYR 68 H TYR 68 -4.792 -7.055 -10.994 136 HA TYR 68 HA TYR 68 -2.138 -7.707 -9.753 137 1HB TYR 68 1HB TYR 68 -1.198 -6.535 -11.748 138 2HB TYR 68 2HB TYR 68 -2.171 -7.937 -12.191 139 HD1 TYR 68 HD1 TYR 68 -2.216 -4.224 -11.898 140 HD2 TYR 68 HD2 TYR 68 -4.143 -7.710 -13.509 141 HE1 TYR 68 HE1 TYR 68 -3.673 -2.777 -13.285 142 HE2 TYR 68 HE2 TYR 68 -5.601 -6.261 -14.897 143 HH TYR 68 HH TYR 68 -6.040 -3.047 -14.365 144 H ILE 69 H ILE 69 -0.760 -5.640 -9.565 145 HA ILE 69 HA ILE 69 -2.324 -3.178 -9.023 146 HB ILE 69 HB ILE 69 -2.420 -4.544 -6.971 147 1HG1 ILE 69 1HG1 ILE 69 -0.367 -2.501 -6.264 148 2HG1 ILE 69 2HG1 ILE 69 -1.822 -1.932 -7.086 149 1HG2 ILE 69 1HG2 ILE 69 -0.168 -5.702 -7.586 150 2HG2 ILE 69 2HG2 ILE 69 0.575 -4.343 -6.743 151 3HG2 ILE 69 3HG2 ILE 69 -0.529 -5.414 -5.884 152 1HD1 ILE 69 1HD1 ILE 69 -2.937 -3.599 -5.256 153 2HD1 ILE 69 2HD1 ILE 69 -1.511 -3.069 -4.363 154 3HD1 ILE 69 3HD1 ILE 69 -2.668 -1.880 -4.962 155 H CYS 70 H CYS 70 -1.145 -1.807 -10.325 156 HA CYS 70 HA CYS 70 1.807 -2.092 -10.432 157 1HB CYS 70 1HB CYS 70 -0.333 -0.785 -12.081 158 2HB CYS 70 2HB CYS 70 1.351 -0.307 -12.291 159 H PHE 71 H PHE 71 3.194 -0.520 -9.692 160 HA PHE 71 HA PHE 71 1.990 1.796 -8.224 161 1HB PHE 71 1HB PHE 71 4.683 0.398 -8.030 162 2HB PHE 71 2HB PHE 71 4.162 1.733 -7.002 163 HD1 PHE 71 HD1 PHE 71 2.252 1.434 -5.426 164 HD2 PHE 71 HD2 PHE 71 3.867 -1.838 -7.692 165 HE1 PHE 71 HE1 PHE 71 1.109 -0.172 -3.922 166 HE2 PHE 71 HE2 PHE 71 2.725 -3.445 -6.188 167 HZ PHE 71 HZ PHE 71 1.345 -2.612 -4.303 168 H CYS 72 H CYS 72 1.942 3.474 -9.724 169 HA CYS 72 HA CYS 72 4.003 3.823 -11.763 170 1HB CYS 72 1HB CYS 72 1.822 5.694 -10.780 171 2HB CYS 72 2HB CYS 72 2.675 5.813 -12.315 172 H LEU 73 H LEU 73 5.055 6.089 -11.923 173 HA LEU 73 HA LEU 73 6.697 6.548 -9.563 174 1HB LEU 73 1HB LEU 73 6.327 7.766 -12.294 175 2HB LEU 73 2HB LEU 73 7.377 8.553 -11.120 176 HG LEU 73 HG LEU 73 7.620 5.669 -11.991 177 1HD1 LEU 73 1HD1 LEU 73 8.936 8.207 -12.916 178 2HD1 LEU 73 2HD1 LEU 73 9.820 6.682 -12.983 179 3HD1 LEU 73 3HD1 LEU 73 8.312 6.867 -13.878 180 1HD2 LEU 73 1HD2 LEU 73 9.205 7.460 -10.148 181 2HD2 LEU 73 2HD2 LEU 73 8.549 5.858 -9.815 182 3HD2 LEU 73 3HD2 LEU 73 9.932 6.038 -10.894 183 HA PRO 74 HA PRO 74 4.391 9.776 -7.633 184 1HB PRO 74 1HB PRO 74 6.270 11.691 -7.066 185 2HB PRO 74 2HB PRO 74 6.138 10.165 -6.169 186 1HG PRO 74 1HG PRO 74 8.013 10.912 -8.363 187 2HG PRO 74 2HG PRO 74 8.324 10.004 -6.874 188 1HD PRO 74 1HD PRO 74 8.015 8.799 -9.274 189 2HD PRO 74 2HD PRO 74 7.521 8.032 -7.748 190 H ALA 75 H ALA 75 6.028 10.336 -10.616 191 HA ALA 75 HA ALA 75 4.574 12.934 -10.986 192 1HB ALA 75 1HB ALA 75 7.200 11.805 -11.885 193 2HB ALA 75 2HB ALA 75 6.398 12.986 -12.920 194 3HB ALA 75 3HB ALA 75 6.831 13.414 -11.265 195 H PHE 76 H PHE 76 3.970 9.816 -11.577 196 HA PHE 76 HA PHE 76 3.080 10.255 -14.409 197 1HB PHE 76 1HB PHE 76 4.083 7.884 -12.843 198 2HB PHE 76 2HB PHE 76 3.089 7.637 -14.279 199 HD1 PHE 76 HD1 PHE 76 6.005 9.765 -13.216 200 HD2 PHE 76 HD2 PHE 76 4.209 7.366 -16.292 201 HE1 PHE 76 HE1 PHE 76 7.988 10.128 -14.656 202 HE2 PHE 76 HE2 PHE 76 6.194 7.728 -17.732 203 HZ PHE 76 HZ PHE 76 8.084 9.107 -16.913 204 H GLU 77 H GLU 77 1.084 8.788 -14.889 205 HA GLU 77 HA GLU 77 -0.732 8.433 -12.565 206 1HB GLU 77 1HB GLU 77 -0.675 10.811 -13.889 207 2HB GLU 77 2HB GLU 77 -1.858 9.939 -14.864 208 1HG GLU 77 1HG GLU 77 -3.281 10.762 -13.253 209 2HG GLU 77 2HG GLU 77 -2.784 9.280 -12.435 210 H GLY 78 H GLY 78 -2.896 7.489 -13.425 211 1HA GLY 78 1HA GLY 78 -4.039 6.264 -15.225 212 2HA GLY 78 2HA GLY 78 -2.456 5.865 -15.893 213 H ARG 79 H ARG 79 -4.720 4.105 -14.970 214 HA ARG 79 HA ARG 79 -4.070 2.774 -12.525 215 1HB ARG 79 1HB ARG 79 -6.181 2.569 -13.836 216 2HB ARG 79 2HB ARG 79 -5.299 1.683 -15.080 217 1HG ARG 79 1HG ARG 79 -6.137 -0.077 -13.815 218 2HG ARG 79 2HG ARG 79 -4.573 0.166 -13.037 219 1HD ARG 79 1HD ARG 79 -6.788 1.843 -11.983 220 2HD ARG 79 2HD ARG 79 -6.902 0.104 -11.644 221 HE ARG 79 HE ARG 79 -4.240 1.278 -11.208 222 1HH1 ARG 79 1HH1 ARG 79 -7.361 0.754 -9.752 223 2HH1 ARG 79 2HH1 ARG 79 -6.701 0.502 -8.173 224 1HH2 ARG 79 1HH2 ARG 79 -3.403 0.808 -9.170 225 2HH2 ARG 79 2HH2 ARG 79 -4.484 0.533 -7.844 226 H ASN 80 H ASN 80 -2.968 2.228 -15.869 227 HA ASN 80 HA ASN 80 -1.063 0.143 -14.888 228 1HB ASN 80 1HB ASN 80 -2.320 0.882 -17.529 229 2HB ASN 80 2HB ASN 80 -0.896 -0.158 -17.474 230 1HD2 ASN 80 2HD2 ASN 80 -1.198 -2.345 -16.855 231 2HD2 ASN 80 1HD2 ASN 80 -2.695 -2.989 -16.382 232 H CYS 81 H CYS 81 -0.742 3.148 -14.623 233 HA CYS 81 HA CYS 81 0.954 4.764 -14.893 234 1HB CYS 81 1HB CYS 81 2.560 2.284 -15.595 235 2HB CYS 81 2HB CYS 81 3.212 3.812 -15.019 236 H GLU 82 H GLU 82 -0.638 4.825 -17.063 237 HA GLU 82 HA GLU 82 1.228 4.813 -19.415 238 1HB GLU 82 1HB GLU 82 -0.844 4.423 -20.741 239 2HB GLU 82 2HB GLU 82 -0.583 3.156 -19.546 240 1HG GLU 82 1HG GLU 82 -2.249 4.045 -18.089 241 2HG GLU 82 2HG GLU 82 -2.323 5.564 -18.982 242 H THR 83 H THR 83 0.498 6.995 -17.344 243 HA THR 83 HA THR 83 -0.118 9.107 -19.362 244 HB THR 83 HB THR 83 -1.433 8.768 -16.646 245 HG1 THR 83 HG1 THR 83 -3.129 8.008 -17.728 246 1HG2 THR 83 1HG2 THR 83 -1.746 10.812 -18.855 247 2HG2 THR 83 2HG2 THR 83 -2.924 10.604 -17.560 248 3HG2 THR 83 3HG2 THR 83 -1.275 11.103 -17.180 249 H HIS 84 H HIS 84 1.022 11.016 -18.979 250 HA HIS 84 HA HIS 84 2.969 10.972 -16.714 251 1HB HIS 84 1HB HIS 84 3.643 11.149 -19.161 252 2HB HIS 84 2HB HIS 84 2.878 12.738 -19.176 253 HD1 HIS 84 HD1 HIS 84 6.070 11.224 -18.625 254 HD2 HIS 84 HD2 HIS 84 4.030 14.410 -16.875 255 HE1 HIS 84 HE1 HIS 84 7.812 12.618 -17.427 256 H LYS 85 H LYS 85 3.146 12.795 -15.326 257 HA LYS 85 HA LYS 85 0.851 14.728 -15.445 258 1HB LYS 85 1HB LYS 85 2.284 13.283 -13.222 259 2HB LYS 85 2HB LYS 85 1.396 14.769 -12.887 260 1HG LYS 85 1HG LYS 85 -0.009 12.712 -14.516 261 2HG LYS 85 2HG LYS 85 0.226 12.346 -12.807 262 1HD LYS 85 1HD LYS 85 -1.159 14.042 -12.110 263 2HD LYS 85 2HD LYS 85 -0.737 15.085 -13.468 264 1HE LYS 85 1HE LYS 85 -2.127 13.749 -14.980 265 2HE LYS 85 2HE LYS 85 -2.497 12.613 -13.667 266 1HZ LYS 85 1HZ LYS 85 -3.069 15.531 -13.632 267 2HZ LYS 85 2HZ LYS 85 -4.224 14.310 -13.878 268 3HZ LYS 85 3HZ LYS 85 -3.425 14.433 -12.386 269 H ASP 86 H ASP 86 1.344 16.923 -15.138 270 HA ASP 86 HA ASP 86 4.198 17.664 -14.634 271 1HB ASP 86 1HB ASP 86 2.401 18.467 -16.940 272 2HB ASP 86 2HB ASP 86 3.906 19.302 -16.558 273 H ASP 87 H ASP 87 2.209 17.871 -12.698 274 HA ASP 87 HA ASP 87 1.146 19.409 -11.254 275 1HB ASP 87 1HB ASP 87 3.637 20.245 -11.803 276 2HB ASP 87 2HB ASP 87 2.748 21.605 -12.490 277 H GLY 88 H GLY 88 0.093 21.784 -11.337 278 1HA GLY 88 1HA GLY 88 -1.342 22.030 -13.953 279 2HA GLY 88 2HA GLY 88 -2.165 22.223 -12.404 280 H SER 89 H SER 89 -0.949 23.961 -14.900 281 HA SER 89 HA SER 89 -0.011 26.238 -13.199 282 1HB SER 89 1HB SER 89 0.806 27.046 -15.475 283 2HB SER 89 2HB SER 89 1.548 25.555 -14.899 284 HG SER 89 HG SER 89 0.779 25.506 -17.114 285 H ALA 90 H ALA 90 -2.035 25.621 -16.096 286 HA ALA 90 HA ALA 90 -3.741 27.957 -15.286 287 1HB ALA 90 1HB ALA 90 -2.918 26.911 -18.014 288 2HB ALA 90 2HB ALA 90 -4.080 28.215 -17.764 289 3HB ALA 90 3HB ALA 90 -2.399 28.424 -17.268 Start of MODEL 8 1 1H SER 45 1H SER 45 -5.656 -19.354 -4.905 2 2H SER 45 2H SER 45 -5.997 -20.622 -5.983 3 3H SER 45 3H SER 45 -4.814 -20.822 -4.779 4 HA SER 45 HA SER 45 -3.382 -19.208 -5.830 5 1HB SER 45 1HB SER 45 -4.577 -21.280 -7.699 6 2HB SER 45 2HB SER 45 -2.980 -20.556 -7.872 7 HG SER 45 HG SER 45 -3.839 -22.557 -6.229 8 H ASP 46 H ASP 46 -3.112 -17.568 -7.404 9 HA ASP 46 HA ASP 46 -5.627 -16.667 -8.770 10 1HB ASP 46 1HB ASP 46 -3.219 -15.178 -7.678 11 2HB ASP 46 2HB ASP 46 -4.533 -14.407 -8.568 12 H GLY 47 H GLY 47 -5.413 -15.881 -10.940 13 1HA GLY 47 1HA GLY 47 -3.529 -17.249 -12.601 14 2HA GLY 47 2HA GLY 47 -4.560 -15.916 -13.127 15 H ASP 48 H ASP 48 -2.466 -15.443 -14.368 16 HA ASP 48 HA ASP 48 -0.505 -13.948 -12.665 17 1HB ASP 48 1HB ASP 48 -0.117 -15.956 -14.464 18 2HB ASP 48 2HB ASP 48 0.057 -14.552 -15.516 19 H GLN 49 H GLN 49 -0.869 -11.770 -12.699 20 HA GLN 49 HA GLN 49 -2.304 -10.531 -14.984 21 1HB GLN 49 1HB GLN 49 -1.371 -9.517 -12.277 22 2HB GLN 49 2HB GLN 49 -2.362 -8.595 -13.409 23 1HG GLN 49 1HG GLN 49 -4.019 -9.517 -12.078 24 2HG GLN 49 2HG GLN 49 -3.888 -10.763 -13.320 25 1HE2 GLN 49 2HE2 GLN 49 -2.674 -9.918 -10.044 26 2HE2 GLN 49 1HE2 GLN 49 -2.408 -11.525 -9.562 27 H CYS 50 H CYS 50 0.880 -10.627 -13.482 28 HA CYS 50 HA CYS 50 1.902 -8.413 -15.165 29 1HB CYS 50 1HB CYS 50 3.139 -10.236 -13.075 30 2HB CYS 50 2HB CYS 50 3.973 -8.879 -13.832 31 H ALA 51 H ALA 51 1.021 -10.526 -16.764 32 HA ALA 51 HA ALA 51 3.038 -12.494 -17.375 33 1HB ALA 51 1HB ALA 51 0.703 -11.282 -18.877 34 2HB ALA 51 2HB ALA 51 1.664 -12.610 -19.530 35 3HB ALA 51 3HB ALA 51 0.755 -12.831 -18.035 36 H SER 52 H SER 52 2.025 -9.739 -19.432 37 HA SER 52 HA SER 52 4.780 -9.646 -20.573 38 1HB SER 52 1HB SER 52 2.024 -8.763 -21.400 39 2HB SER 52 2HB SER 52 3.440 -8.077 -22.190 40 HG SER 52 HG SER 52 2.420 -10.669 -22.238 41 H SER 53 H SER 53 3.933 -8.469 -17.886 42 HA SER 53 HA SER 53 4.268 -6.482 -16.656 43 1HB SER 53 1HB SER 53 6.497 -7.003 -17.756 44 2HB SER 53 2HB SER 53 6.073 -5.832 -19.001 45 HG SER 53 HG SER 53 6.639 -4.326 -17.664 46 HA PRO 54 HA PRO 54 1.436 -4.048 -19.397 47 1HB PRO 54 1HB PRO 54 -0.483 -3.599 -17.499 48 2HB PRO 54 2HB PRO 54 -0.455 -5.049 -18.521 49 1HG PRO 54 1HG PRO 54 0.431 -4.703 -15.702 50 2HG PRO 54 2HG PRO 54 -0.402 -6.066 -16.466 51 1HD PRO 54 1HD PRO 54 2.271 -6.046 -15.921 52 2HD PRO 54 2HD PRO 54 1.542 -6.990 -17.240 53 H CYS 55 H CYS 55 2.849 -3.539 -16.235 54 HA CYS 55 HA CYS 55 2.184 -0.799 -15.782 55 1HB CYS 55 1HB CYS 55 4.712 -2.347 -15.106 56 2HB CYS 55 2HB CYS 55 4.175 -0.868 -14.315 57 H GLN 56 H GLN 56 2.743 0.971 -16.985 58 HA GLN 56 HA GLN 56 4.889 0.732 -19.025 59 1HB GLN 56 1HB GLN 56 2.793 2.841 -18.410 60 2HB GLN 56 2HB GLN 56 3.867 2.869 -19.810 61 1HG GLN 56 1HG GLN 56 2.343 0.353 -19.379 62 2HG GLN 56 2HG GLN 56 1.403 1.759 -19.880 63 1HE2 GLN 56 2HE2 GLN 56 1.485 2.319 -22.080 64 2HE2 GLN 56 1HE2 GLN 56 2.566 1.641 -23.201 65 H ASN 57 H ASN 57 5.892 3.190 -19.284 66 HA ASN 57 HA ASN 57 7.548 4.640 -18.440 67 1HB ASN 57 1HB ASN 57 5.488 4.463 -16.234 68 2HB ASN 57 2HB ASN 57 6.846 5.586 -16.161 69 1HD2 ASN 57 2HD2 ASN 57 3.651 5.451 -17.076 70 2HD2 ASN 57 1HD2 ASN 57 3.649 6.663 -18.265 71 H GLY 58 H GLY 58 7.877 1.682 -17.941 72 1HA GLY 58 1HA GLY 58 9.421 0.310 -16.830 73 2HA GLY 58 2HA GLY 58 10.240 1.791 -16.340 74 H GLY 59 H GLY 59 6.933 0.721 -15.578 75 1HA GLY 59 1HA GLY 59 7.499 1.199 -12.713 76 2HA GLY 59 2HA GLY 59 5.907 0.927 -13.420 77 H SER 60 H SER 60 6.832 -0.445 -11.107 78 HA SER 60 HA SER 60 7.631 -3.160 -11.977 79 1HB SER 60 1HB SER 60 8.095 -1.581 -9.771 80 2HB SER 60 2HB SER 60 6.829 -2.654 -9.179 81 HG SER 60 HG SER 60 8.283 -4.154 -9.081 82 H CYS 61 H CYS 61 6.223 -4.916 -12.012 83 HA CYS 61 HA CYS 61 3.326 -4.321 -11.563 84 1HB CYS 61 1HB CYS 61 4.216 -5.041 -13.816 85 2HB CYS 61 2HB CYS 61 4.658 -6.582 -13.083 86 H LYS 62 H LYS 62 2.370 -5.254 -9.811 87 HA LYS 62 HA LYS 62 3.626 -7.716 -8.635 88 1HB LYS 62 1HB LYS 62 3.613 -5.225 -7.544 89 2HB LYS 62 2HB LYS 62 2.089 -5.849 -6.912 90 1HG LYS 62 1HG LYS 62 4.496 -7.617 -6.770 91 2HG LYS 62 2HG LYS 62 4.380 -6.278 -5.628 92 1HD LYS 62 1HD LYS 62 2.461 -7.127 -4.616 93 2HD LYS 62 2HD LYS 62 2.000 -8.059 -6.041 94 1HE LYS 62 1HE LYS 62 3.551 -9.772 -5.581 95 2HE LYS 62 2HE LYS 62 4.529 -8.728 -4.529 96 1HZ LYS 62 1HZ LYS 62 1.704 -9.434 -3.956 97 2HZ LYS 62 2HZ LYS 62 3.022 -10.301 -3.323 98 3HZ LYS 62 3HZ LYS 62 2.806 -8.664 -2.921 99 H ASP 63 H ASP 63 2.211 -9.414 -8.449 100 HA ASP 63 HA ASP 63 -0.536 -9.182 -9.367 101 1HB ASP 63 1HB ASP 63 -0.563 -11.604 -8.790 102 2HB ASP 63 2HB ASP 63 0.869 -11.170 -9.723 103 H GLN 64 H GLN 64 -2.139 -8.343 -8.101 104 HA GLN 64 HA GLN 64 -1.965 -8.717 -5.130 105 1HB GLN 64 1HB GLN 64 -3.080 -6.593 -6.961 106 2HB GLN 64 2HB GLN 64 -3.612 -6.702 -5.283 107 1HG GLN 64 1HG GLN 64 -0.675 -6.696 -5.928 108 2HG GLN 64 2HG GLN 64 -1.568 -5.176 -5.865 109 1HE2 GLN 64 2HE2 GLN 64 -2.843 -4.802 -3.764 110 2HE2 GLN 64 1HE2 GLN 64 -2.183 -5.407 -2.323 111 H LEU 65 H LEU 65 -2.941 -10.929 -6.331 112 HA LEU 65 HA LEU 65 -4.798 -12.376 -6.414 113 1HB LEU 65 1HB LEU 65 -4.949 -10.913 -4.136 114 2HB LEU 65 2HB LEU 65 -6.473 -10.448 -4.891 115 HG LEU 65 HG LEU 65 -5.729 -13.348 -4.845 116 1HD1 LEU 65 1HD1 LEU 65 -5.550 -12.032 -2.501 117 2HD1 LEU 65 2HD1 LEU 65 -7.294 -12.290 -2.544 118 3HD1 LEU 65 3HD1 LEU 65 -6.197 -13.669 -2.619 119 1HD2 LEU 65 1HD2 LEU 65 -7.780 -12.228 -5.982 120 2HD2 LEU 65 2HD2 LEU 65 -8.065 -13.659 -4.990 121 3HD2 LEU 65 3HD2 LEU 65 -8.408 -12.054 -4.343 122 H GLN 66 H GLN 66 -5.695 -12.482 -8.427 123 HA GLN 66 HA GLN 66 -7.174 -12.060 -10.210 124 1HB GLN 66 1HB GLN 66 -8.447 -11.229 -7.828 125 2HB GLN 66 2HB GLN 66 -8.719 -9.922 -8.978 126 1HG GLN 66 1HG GLN 66 -9.340 -11.839 -10.639 127 2HG GLN 66 2HG GLN 66 -9.538 -12.811 -9.179 128 1HE2 GLN 66 2HE2 GLN 66 -10.387 -9.400 -10.039 129 2HE2 GLN 66 1HE2 GLN 66 -11.995 -9.519 -9.511 130 H SER 67 H SER 67 -7.091 -8.806 -8.721 131 HA SER 67 HA SER 67 -6.388 -7.601 -11.309 132 1HB SER 67 1HB SER 67 -6.490 -5.517 -9.809 133 2HB SER 67 2HB SER 67 -7.971 -6.462 -9.928 134 HG SER 67 HG SER 67 -7.558 -6.051 -7.770 135 H TYR 68 H TYR 68 -4.649 -5.626 -10.809 136 HA TYR 68 HA TYR 68 -2.273 -6.801 -9.430 137 1HB TYR 68 1HB TYR 68 -0.924 -6.230 -11.452 138 2HB TYR 68 2HB TYR 68 -2.163 -7.435 -11.795 139 HD1 TYR 68 HD1 TYR 68 -4.145 -6.873 -13.119 140 HD2 TYR 68 HD2 TYR 68 -1.114 -3.942 -12.299 141 HE1 TYR 68 HE1 TYR 68 -5.096 -5.399 -14.872 142 HE2 TYR 68 HE2 TYR 68 -2.065 -2.469 -14.051 143 HH TYR 68 HH TYR 68 -5.127 -3.037 -15.467 144 H ILE 69 H ILE 69 -0.448 -5.060 -9.447 145 HA ILE 69 HA ILE 69 -1.559 -2.292 -9.281 146 HB ILE 69 HB ILE 69 -1.678 -3.363 -7.058 147 1HG1 ILE 69 1HG1 ILE 69 0.694 -1.506 -6.967 148 2HG1 ILE 69 2HG1 ILE 69 -0.894 -0.911 -7.456 149 1HG2 ILE 69 1HG2 ILE 69 0.249 -4.964 -7.583 150 2HG2 ILE 69 2HG2 ILE 69 1.332 -3.634 -7.176 151 3HG2 ILE 69 3HG2 ILE 69 0.230 -4.278 -5.960 152 1HD1 ILE 69 1HD1 ILE 69 -1.605 -2.283 -5.243 153 2HD1 ILE 69 2HD1 ILE 69 0.041 -1.839 -4.791 154 3HD1 ILE 69 3HD1 ILE 69 -1.130 -0.585 -5.199 155 H CYS 70 H CYS 70 -0.239 -1.010 -10.499 156 HA CYS 70 HA CYS 70 2.505 -1.919 -11.153 157 1HB CYS 70 1HB CYS 70 0.573 0.174 -12.147 158 2HB CYS 70 2HB CYS 70 2.261 0.192 -12.657 159 H PHE 71 H PHE 71 4.322 -0.952 -10.328 160 HA PHE 71 HA PHE 71 3.969 1.284 -8.384 161 1HB PHE 71 1HB PHE 71 6.056 -0.830 -8.942 162 2HB PHE 71 2HB PHE 71 6.411 0.545 -7.894 163 HD1 PHE 71 HD1 PHE 71 4.382 1.064 -6.157 164 HD2 PHE 71 HD2 PHE 71 5.307 -2.759 -7.884 165 HE1 PHE 71 HE1 PHE 71 3.220 -0.066 -4.279 166 HE2 PHE 71 HE2 PHE 71 4.145 -3.888 -6.007 167 HZ PHE 71 HZ PHE 71 3.100 -2.541 -4.204 168 H CYS 72 H CYS 72 3.731 2.892 -10.141 169 HA CYS 72 HA CYS 72 6.157 3.362 -11.808 170 1HB CYS 72 1HB CYS 72 3.312 4.406 -11.815 171 2HB CYS 72 2HB CYS 72 4.548 4.954 -12.947 172 H LEU 73 H LEU 73 6.143 5.997 -12.217 173 HA LEU 73 HA LEU 73 7.373 7.162 -9.920 174 1HB LEU 73 1HB LEU 73 6.398 7.982 -12.605 175 2HB LEU 73 2HB LEU 73 6.667 9.288 -11.452 176 HG LEU 73 HG LEU 73 8.961 8.376 -11.040 177 1HD1 LEU 73 1HD1 LEU 73 8.466 6.041 -11.728 178 2HD1 LEU 73 2HD1 LEU 73 8.277 6.587 -13.395 179 3HD1 LEU 73 3HD1 LEU 73 9.849 6.698 -12.603 180 1HD2 LEU 73 1HD2 LEU 73 8.280 9.031 -13.923 181 2HD2 LEU 73 2HD2 LEU 73 8.625 10.201 -12.651 182 3HD2 LEU 73 3HD2 LEU 73 9.895 9.117 -13.219 183 HA PRO 74 HA PRO 74 3.927 8.508 -7.525 184 1HB PRO 74 1HB PRO 74 4.877 10.844 -6.449 185 2HB PRO 74 2HB PRO 74 5.398 9.236 -5.904 186 1HG PRO 74 1HG PRO 74 6.749 11.126 -7.776 187 2HG PRO 74 2HG PRO 74 7.443 10.132 -6.482 188 1HD PRO 74 1HD PRO 74 7.603 9.428 -9.082 189 2HD PRO 74 2HD PRO 74 7.472 8.226 -7.778 190 H ALA 75 H ALA 75 5.177 10.481 -10.098 191 HA ALA 75 HA ALA 75 2.837 12.327 -9.968 192 1HB ALA 75 1HB ALA 75 5.560 12.291 -11.222 193 2HB ALA 75 2HB ALA 75 4.312 13.306 -11.946 194 3HB ALA 75 3HB ALA 75 4.789 13.557 -10.268 195 H PHE 76 H PHE 76 3.039 9.340 -11.048 196 HA PHE 76 HA PHE 76 1.913 9.908 -13.771 197 1HB PHE 76 1HB PHE 76 3.482 7.653 -12.531 198 2HB PHE 76 2HB PHE 76 2.525 7.373 -13.985 199 HD1 PHE 76 HD1 PHE 76 4.885 9.994 -12.667 200 HD2 PHE 76 HD2 PHE 76 3.639 7.599 -16.007 201 HE1 PHE 76 HE1 PHE 76 6.683 10.989 -14.048 202 HE2 PHE 76 HE2 PHE 76 5.442 8.595 -17.389 203 HZ PHE 76 HZ PHE 76 6.966 10.286 -16.406 204 H GLU 77 H GLU 77 -0.002 8.716 -14.379 205 HA GLU 77 HA GLU 77 -1.444 7.285 -12.190 206 1HB GLU 77 1HB GLU 77 -1.861 9.920 -12.699 207 2HB GLU 77 2HB GLU 77 -3.002 9.204 -13.839 208 1HG GLU 77 1HG GLU 77 -3.591 7.695 -11.709 209 2HG GLU 77 2HG GLU 77 -2.999 9.121 -10.857 210 H GLY 78 H GLY 78 -3.543 6.307 -13.158 211 1HA GLY 78 1HA GLY 78 -4.676 5.577 -15.253 212 2HA GLY 78 2HA GLY 78 -3.078 5.475 -15.995 213 H ARG 79 H ARG 79 -5.022 3.315 -15.783 214 HA ARG 79 HA ARG 79 -4.475 1.471 -13.676 215 1HB ARG 79 1HB ARG 79 -6.300 1.449 -15.459 216 2HB ARG 79 2HB ARG 79 -5.088 0.815 -16.573 217 1HG ARG 79 1HG ARG 79 -6.120 -1.128 -15.723 218 2HG ARG 79 2HG ARG 79 -4.655 -0.979 -14.749 219 1HD ARG 79 1HD ARG 79 -6.202 -1.257 -13.041 220 2HD ARG 79 2HD ARG 79 -6.321 0.504 -13.226 221 HE ARG 79 HE ARG 79 -8.390 0.222 -14.378 222 1HH1 ARG 79 1HH1 ARG 79 -6.730 -2.832 -14.155 223 2HH1 ARG 79 2HH1 ARG 79 -8.166 -3.756 -14.425 224 1HH2 ARG 79 1HH2 ARG 79 -10.264 -1.010 -14.590 225 2HH2 ARG 79 2HH2 ARG 79 -10.148 -2.736 -14.672 226 H ASN 80 H ASN 80 -2.939 1.854 -16.878 227 HA ASN 80 HA ASN 80 -0.742 0.016 -15.989 228 1HB ASN 80 1HB ASN 80 -1.847 0.835 -18.693 229 2HB ASN 80 2HB ASN 80 -0.375 -0.119 -18.505 230 1HD2 ASN 80 2HD2 ASN 80 -1.231 -2.103 -19.365 231 2HD2 ASN 80 1HD2 ASN 80 -2.467 -2.974 -18.594 232 H CYS 81 H CYS 81 -0.995 2.900 -15.311 233 HA CYS 81 HA CYS 81 0.346 4.839 -15.258 234 1HB CYS 81 1HB CYS 81 2.352 2.796 -16.273 235 2HB CYS 81 2HB CYS 81 2.767 4.372 -15.602 236 H GLU 82 H GLU 82 -1.267 4.704 -17.522 237 HA GLU 82 HA GLU 82 0.527 5.567 -19.763 238 1HB GLU 82 1HB GLU 82 -1.464 5.027 -21.168 239 2HB GLU 82 2HB GLU 82 -0.921 3.642 -20.222 240 1HG GLU 82 1HG GLU 82 -2.793 3.634 -18.903 241 2HG GLU 82 2HG GLU 82 -2.938 5.391 -18.917 242 H THR 83 H THR 83 -0.587 7.164 -17.351 243 HA THR 83 HA THR 83 -1.643 9.436 -18.979 244 HB THR 83 HB THR 83 -2.796 8.381 -16.375 245 HG1 THR 83 HG1 THR 83 -4.197 7.358 -17.572 246 1HG2 THR 83 1HG2 THR 83 -3.722 10.592 -18.232 247 2HG2 THR 83 2HG2 THR 83 -4.576 10.036 -16.793 248 3HG2 THR 83 3HG2 THR 83 -3.006 10.823 -16.637 249 H HIS 84 H HIS 84 0.172 10.748 -18.683 250 HA HIS 84 HA HIS 84 1.620 10.945 -16.168 251 1HB HIS 84 1HB HIS 84 2.189 11.457 -18.739 252 2HB HIS 84 2HB HIS 84 1.703 13.083 -18.257 253 HD1 HIS 84 HD1 HIS 84 4.700 12.138 -18.910 254 HD2 HIS 84 HD2 HIS 84 3.063 12.675 -15.113 255 HE1 HIS 84 HE1 HIS 84 6.647 12.537 -17.341 256 H LYS 85 H LYS 85 1.205 12.315 -14.468 257 HA LYS 85 HA LYS 85 -1.230 13.959 -14.504 258 1HB LYS 85 1HB LYS 85 0.930 13.443 -12.434 259 2HB LYS 85 2HB LYS 85 -0.592 14.273 -12.112 260 1HG LYS 85 1HG LYS 85 -0.783 11.618 -13.441 261 2HG LYS 85 2HG LYS 85 -0.288 11.619 -11.747 262 1HD LYS 85 1HD LYS 85 -2.585 13.372 -12.445 263 2HD LYS 85 2HD LYS 85 -2.880 11.635 -12.510 264 1HE LYS 85 1HE LYS 85 -3.276 11.885 -10.260 265 2HE LYS 85 2HE LYS 85 -1.506 11.847 -10.143 266 1HZ LYS 85 1HZ LYS 85 -3.039 14.326 -10.695 267 2HZ LYS 85 2HZ LYS 85 -2.593 13.854 -9.128 268 3HZ LYS 85 3HZ LYS 85 -1.396 14.191 -10.284 269 H ASP 86 H ASP 86 -1.278 16.229 -14.405 270 HA ASP 86 HA ASP 86 1.338 17.627 -14.871 271 1HB ASP 86 1HB ASP 86 -0.446 17.433 -16.718 272 2HB ASP 86 2HB ASP 86 -1.416 18.533 -15.738 273 H ASP 87 H ASP 87 -1.832 17.787 -13.277 274 HA ASP 87 HA ASP 87 -1.203 20.311 -11.900 275 1HB ASP 87 1HB ASP 87 -3.472 19.564 -12.735 276 2HB ASP 87 2HB ASP 87 -3.461 18.330 -11.474 277 H GLY 88 H GLY 88 -1.523 16.859 -11.048 278 1HA GLY 88 1HA GLY 88 -0.350 15.705 -9.330 279 2HA GLY 88 2HA GLY 88 0.284 17.249 -8.759 280 H SER 89 H SER 89 -1.233 18.660 -7.564 281 HA SER 89 HA SER 89 -2.704 18.966 -5.746 282 1HB SER 89 1HB SER 89 -4.923 18.518 -6.372 283 2HB SER 89 2HB SER 89 -4.093 18.554 -7.923 284 HG SER 89 HG SER 89 -5.287 16.703 -7.898 285 H ALA 90 H ALA 90 -0.772 17.107 -5.067 286 HA ALA 90 HA ALA 90 -0.313 15.320 -3.591 287 1HB ALA 90 1HB ALA 90 -1.952 16.961 -2.387 288 2HB ALA 90 2HB ALA 90 -3.148 15.688 -2.632 289 3HB ALA 90 3HB ALA 90 -1.696 15.363 -1.683 Start of MODEL 9 1 1H SER 45 1H SER 45 -2.403 -14.173 -5.558 2 2H SER 45 2H SER 45 -0.999 -13.231 -5.728 3 3H SER 45 3H SER 45 -2.129 -13.303 -6.991 4 HA SER 45 HA SER 45 -0.231 -14.695 -7.528 5 1HB SER 45 1HB SER 45 -0.984 -16.116 -4.959 6 2HB SER 45 2HB SER 45 0.421 -16.435 -5.971 7 HG SER 45 HG SER 45 0.465 -14.921 -3.966 8 H ASP 46 H ASP 46 -2.894 -14.518 -8.385 9 HA ASP 46 HA ASP 46 -3.515 -17.387 -8.918 10 1HB ASP 46 1HB ASP 46 -5.402 -15.264 -7.847 11 2HB ASP 46 2HB ASP 46 -5.925 -16.844 -8.433 12 H GLY 47 H GLY 47 -2.889 -17.093 -11.113 13 1HA GLY 47 1HA GLY 47 -4.019 -16.804 -13.302 14 2HA GLY 47 2HA GLY 47 -4.673 -15.284 -12.691 15 H ASP 48 H ASP 48 -3.085 -15.608 -15.100 16 HA ASP 48 HA ASP 48 -0.413 -14.513 -14.460 17 1HB ASP 48 1HB ASP 48 -1.844 -15.788 -16.694 18 2HB ASP 48 2HB ASP 48 -0.782 -14.476 -17.206 19 H GLN 49 H GLN 49 -0.899 -12.406 -13.634 20 HA GLN 49 HA GLN 49 -2.457 -10.553 -15.369 21 1HB GLN 49 1HB GLN 49 -1.295 -10.331 -12.571 22 2HB GLN 49 2HB GLN 49 -2.311 -9.111 -13.339 23 1HG GLN 49 1HG GLN 49 -4.221 -10.337 -13.073 24 2HG GLN 49 2HG GLN 49 -3.397 -11.872 -13.352 25 1HE2 GLN 49 2HE2 GLN 49 -1.457 -11.940 -11.382 26 2HE2 GLN 49 1HE2 GLN 49 -2.166 -11.862 -9.842 27 H CYS 50 H CYS 50 0.689 -10.635 -13.647 28 HA CYS 50 HA CYS 50 1.709 -8.417 -15.325 29 1HB CYS 50 1HB CYS 50 2.822 -10.022 -13.002 30 2HB CYS 50 2HB CYS 50 3.654 -8.659 -13.749 31 H ALA 51 H ALA 51 1.203 -10.624 -16.920 32 HA ALA 51 HA ALA 51 3.533 -12.365 -17.184 33 1HB ALA 51 1HB ALA 51 1.119 -11.754 -18.916 34 2HB ALA 51 2HB ALA 51 2.283 -13.029 -19.276 35 3HB ALA 51 3HB ALA 51 1.310 -13.113 -17.807 36 H SER 52 H SER 52 2.135 -9.905 -19.398 37 HA SER 52 HA SER 52 4.776 -9.629 -20.732 38 1HB SER 52 1HB SER 52 2.127 -8.319 -21.386 39 2HB SER 52 2HB SER 52 3.489 -8.586 -22.470 40 HG SER 52 HG SER 52 1.481 -10.281 -21.695 41 H SER 53 H SER 53 4.055 -8.469 -17.965 42 HA SER 53 HA SER 53 4.395 -6.457 -16.774 43 1HB SER 53 1HB SER 53 6.621 -6.681 -17.548 44 2HB SER 53 2HB SER 53 6.174 -6.301 -19.208 45 HG SER 53 HG SER 53 7.149 -4.514 -18.220 46 HA PRO 54 HA PRO 54 1.408 -4.130 -19.473 47 1HB PRO 54 1HB PRO 54 -0.536 -3.828 -17.570 48 2HB PRO 54 2HB PRO 54 -0.436 -5.245 -18.635 49 1HG PRO 54 1HG PRO 54 0.429 -4.941 -15.804 50 2HG PRO 54 2HG PRO 54 -0.342 -6.318 -16.608 51 1HD PRO 54 1HD PRO 54 2.325 -6.200 -16.059 52 2HD PRO 54 2HD PRO 54 1.642 -7.127 -17.412 53 H CYS 55 H CYS 55 2.907 -3.628 -16.371 54 HA CYS 55 HA CYS 55 2.055 -0.915 -15.874 55 1HB CYS 55 1HB CYS 55 4.575 -2.414 -15.077 56 2HB CYS 55 2HB CYS 55 3.973 -0.947 -14.308 57 H GLN 56 H GLN 56 2.669 0.907 -16.971 58 HA GLN 56 HA GLN 56 4.961 0.737 -18.874 59 1HB GLN 56 1HB GLN 56 2.394 1.598 -19.138 60 2HB GLN 56 2HB GLN 56 3.194 3.118 -18.737 61 1HG GLN 56 1HG GLN 56 3.570 3.162 -20.998 62 2HG GLN 56 2HG GLN 56 4.953 2.165 -20.547 63 1HE2 GLN 56 2HE2 GLN 56 1.446 1.723 -21.316 64 2HE2 GLN 56 1HE2 GLN 56 1.674 0.287 -22.191 65 H ASN 57 H ASN 57 5.845 3.229 -19.112 66 HA ASN 57 HA ASN 57 7.325 4.801 -18.163 67 1HB ASN 57 1HB ASN 57 5.006 4.583 -16.252 68 2HB ASN 57 2HB ASN 57 6.329 5.706 -15.934 69 1HD2 ASN 57 2HD2 ASN 57 3.316 5.696 -17.243 70 2HD2 ASN 57 1HD2 ASN 57 3.502 6.892 -18.434 71 H GLY 58 H GLY 58 7.986 2.001 -17.653 72 1HA GLY 58 1HA GLY 58 9.499 0.772 -16.348 73 2HA GLY 58 2HA GLY 58 10.027 2.319 -15.688 74 H GLY 59 H GLY 59 6.771 0.926 -15.476 75 1HA GLY 59 1HA GLY 59 6.887 1.237 -12.538 76 2HA GLY 59 2HA GLY 59 5.441 0.888 -13.483 77 H SER 60 H SER 60 6.603 -0.506 -11.089 78 HA SER 60 HA SER 60 7.408 -3.152 -12.146 79 1HB SER 60 1HB SER 60 6.834 -2.374 -9.284 80 2HB SER 60 2HB SER 60 7.948 -3.603 -9.874 81 HG SER 60 HG SER 60 9.408 -2.112 -10.184 82 H CYS 61 H CYS 61 5.984 -4.849 -12.358 83 HA CYS 61 HA CYS 61 3.139 -4.388 -11.621 84 1HB CYS 61 1HB CYS 61 4.074 -5.103 -13.927 85 2HB CYS 61 2HB CYS 61 4.310 -6.687 -13.188 86 H LYS 62 H LYS 62 2.276 -5.391 -9.867 87 HA LYS 62 HA LYS 62 3.654 -7.827 -8.780 88 1HB LYS 62 1HB LYS 62 2.896 -5.230 -7.613 89 2HB LYS 62 2HB LYS 62 2.375 -6.612 -6.651 90 1HG LYS 62 1HG LYS 62 4.891 -7.404 -7.242 91 2HG LYS 62 2HG LYS 62 5.123 -5.656 -7.258 92 1HD LYS 62 1HD LYS 62 4.153 -5.483 -5.010 93 2HD LYS 62 2HD LYS 62 3.853 -7.222 -4.992 94 1HE LYS 62 1HE LYS 62 5.901 -7.019 -3.820 95 2HE LYS 62 2HE LYS 62 6.431 -7.411 -5.468 96 1HZ LYS 62 1HZ LYS 62 6.048 -4.650 -4.439 97 2HZ LYS 62 2HZ LYS 62 7.555 -5.428 -4.541 98 3HZ LYS 62 3HZ LYS 62 6.679 -5.091 -5.954 99 H ASP 63 H ASP 63 2.306 -9.577 -8.668 100 HA ASP 63 HA ASP 63 -0.460 -9.436 -9.495 101 1HB ASP 63 1HB ASP 63 -0.397 -11.859 -8.912 102 2HB ASP 63 2HB ASP 63 1.002 -11.377 -9.870 103 H GLN 64 H GLN 64 -2.042 -8.593 -8.208 104 HA GLN 64 HA GLN 64 -1.810 -8.854 -5.242 105 1HB GLN 64 1HB GLN 64 -3.247 -7.045 -7.179 106 2HB GLN 64 2HB GLN 64 -3.762 -7.129 -5.495 107 1HG GLN 64 1HG GLN 64 -0.915 -6.563 -6.366 108 2HG GLN 64 2HG GLN 64 -2.085 -5.311 -5.941 109 1HE2 GLN 64 2HE2 GLN 64 -3.126 -5.646 -3.661 110 2HE2 GLN 64 1HE2 GLN 64 -2.099 -6.213 -2.435 111 H LEU 65 H LEU 65 -4.420 -8.709 -4.471 112 HA LEU 65 HA LEU 65 -5.407 -11.370 -4.726 113 1HB LEU 65 1HB LEU 65 -5.847 -9.367 -3.048 114 2HB LEU 65 2HB LEU 65 -7.194 -9.027 -4.130 115 HG LEU 65 HG LEU 65 -7.921 -10.474 -2.280 116 1HD1 LEU 65 1HD1 LEU 65 -8.867 -10.754 -4.608 117 2HD1 LEU 65 2HD1 LEU 65 -7.755 -12.105 -4.828 118 3HD1 LEU 65 3HD1 LEU 65 -9.005 -12.184 -3.586 119 1HD2 LEU 65 1HD2 LEU 65 -5.539 -11.516 -2.113 120 2HD2 LEU 65 2HD2 LEU 65 -6.928 -12.549 -1.776 121 3HD2 LEU 65 3HD2 LEU 65 -6.116 -12.644 -3.339 122 H GLN 66 H GLN 66 -5.928 -12.147 -6.760 123 HA GLN 66 HA GLN 66 -7.034 -12.343 -8.839 124 1HB GLN 66 1HB GLN 66 -8.839 -12.205 -6.988 125 2HB GLN 66 2HB GLN 66 -9.110 -10.560 -7.564 126 1HG GLN 66 1HG GLN 66 -9.173 -11.787 -9.931 127 2HG GLN 66 2HG GLN 66 -9.651 -13.161 -8.933 128 1HE2 GLN 66 2HE2 GLN 66 -10.892 -10.481 -10.572 129 2HE2 GLN 66 1HE2 GLN 66 -12.375 -10.347 -9.756 130 H SER 67 H SER 67 -5.206 -10.003 -8.480 131 HA SER 67 HA SER 67 -5.926 -8.545 -10.896 132 1HB SER 67 1HB SER 67 -6.226 -6.362 -9.731 133 2HB SER 67 2HB SER 67 -7.462 -7.529 -9.270 134 HG SER 67 HG SER 67 -6.544 -7.757 -7.332 135 H TYR 68 H TYR 68 -4.392 -6.286 -10.607 136 HA TYR 68 HA TYR 68 -1.723 -7.224 -9.630 137 1HB TYR 68 1HB TYR 68 -0.771 -6.333 -11.760 138 2HB TYR 68 2HB TYR 68 -1.898 -7.659 -12.037 139 HD1 TYR 68 HD1 TYR 68 -4.183 -7.213 -12.898 140 HD2 TYR 68 HD2 TYR 68 -1.279 -4.077 -12.463 141 HE1 TYR 68 HE1 TYR 68 -5.554 -5.742 -14.349 142 HE2 TYR 68 HE2 TYR 68 -2.650 -2.607 -13.913 143 HH TYR 68 HH TYR 68 -5.870 -3.339 -14.755 144 H ILE 69 H ILE 69 -0.138 -5.261 -9.758 145 HA ILE 69 HA ILE 69 -1.470 -2.644 -9.313 146 HB ILE 69 HB ILE 69 -1.482 -3.839 -7.152 147 1HG1 ILE 69 1HG1 ILE 69 0.744 -1.904 -6.753 148 2HG1 ILE 69 2HG1 ILE 69 -0.699 -1.287 -7.558 149 1HG2 ILE 69 1HG2 ILE 69 0.830 -5.007 -7.993 150 2HG2 ILE 69 2HG2 ILE 69 1.469 -3.788 -6.891 151 3HG2 ILE 69 3HG2 ILE 69 0.305 -4.980 -6.310 152 1HD1 ILE 69 1HD1 ILE 69 -1.862 -2.673 -5.545 153 2HD1 ILE 69 2HD1 ILE 69 -0.347 -2.222 -4.761 154 3HD1 ILE 69 3HD1 ILE 69 -1.413 -0.973 -5.405 155 H CYS 70 H CYS 70 -0.286 -1.289 -10.598 156 HA CYS 70 HA CYS 70 2.524 -1.924 -11.251 157 1HB CYS 70 1HB CYS 70 0.483 0.121 -12.152 158 2HB CYS 70 2HB CYS 70 2.146 0.130 -12.739 159 H PHE 71 H PHE 71 4.260 -0.854 -10.388 160 HA PHE 71 HA PHE 71 3.729 1.364 -8.451 161 1HB PHE 71 1HB PHE 71 5.989 -0.620 -8.856 162 2HB PHE 71 2HB PHE 71 6.061 0.695 -7.682 163 HD1 PHE 71 HD1 PHE 71 3.776 0.896 -6.221 164 HD2 PHE 71 HD2 PHE 71 5.296 -2.685 -8.042 165 HE1 PHE 71 HE1 PHE 71 2.488 -0.474 -4.603 166 HE2 PHE 71 HE2 PHE 71 4.009 -4.054 -6.423 167 HZ PHE 71 HZ PHE 71 2.604 -2.948 -4.705 168 H CYS 72 H CYS 72 3.710 3.145 -9.901 169 HA CYS 72 HA CYS 72 6.131 3.531 -11.617 170 1HB CYS 72 1HB CYS 72 3.351 4.747 -11.626 171 2HB CYS 72 2HB CYS 72 4.622 5.162 -12.776 172 H LEU 73 H LEU 73 6.067 6.245 -11.938 173 HA LEU 73 HA LEU 73 7.204 7.229 -9.435 174 1HB LEU 73 1HB LEU 73 7.003 7.962 -12.273 175 2HB LEU 73 2HB LEU 73 6.934 9.361 -11.201 176 HG LEU 73 HG LEU 73 9.002 8.526 -10.068 177 1HD1 LEU 73 1HD1 LEU 73 8.934 6.504 -12.329 178 2HD1 LEU 73 2HD1 LEU 73 10.305 6.760 -11.250 179 3HD1 LEU 73 3HD1 LEU 73 8.781 6.148 -10.609 180 1HD2 LEU 73 1HD2 LEU 73 8.855 10.067 -12.209 181 2HD2 LEU 73 2HD2 LEU 73 10.421 9.478 -11.652 182 3HD2 LEU 73 3HD2 LEU 73 9.610 8.685 -13.003 183 HA PRO 74 HA PRO 74 3.642 9.148 -7.714 184 1HB PRO 74 1HB PRO 74 4.624 11.533 -6.776 185 2HB PRO 74 2HB PRO 74 4.935 9.971 -5.991 186 1HG PRO 74 1HG PRO 74 6.669 11.525 -7.860 187 2HG PRO 74 2HG PRO 74 7.103 10.667 -6.371 188 1HD PRO 74 1HD PRO 74 7.563 9.614 -8.804 189 2HD PRO 74 2HD PRO 74 7.126 8.602 -7.406 190 H ALA 75 H ALA 75 5.307 10.636 -10.347 191 HA ALA 75 HA ALA 75 3.203 12.714 -10.702 192 1HB ALA 75 1HB ALA 75 5.590 13.317 -10.871 193 2HB ALA 75 2HB ALA 75 5.805 12.122 -12.150 194 3HB ALA 75 3HB ALA 75 4.786 13.535 -12.426 195 H PHE 76 H PHE 76 2.982 9.627 -11.225 196 HA PHE 76 HA PHE 76 2.036 9.873 -14.068 197 1HB PHE 76 1HB PHE 76 3.353 7.599 -12.558 198 2HB PHE 76 2HB PHE 76 2.626 7.408 -14.154 199 HD1 PHE 76 HD1 PHE 76 5.094 9.544 -12.309 200 HD2 PHE 76 HD2 PHE 76 3.906 7.835 -16.065 201 HE1 PHE 76 HE1 PHE 76 7.167 10.407 -13.356 202 HE2 PHE 76 HE2 PHE 76 5.982 8.699 -17.113 203 HZ PHE 76 HZ PHE 76 7.614 9.981 -15.755 204 H GLU 77 H GLU 77 0.136 8.572 -14.575 205 HA GLU 77 HA GLU 77 -1.380 7.406 -12.303 206 1HB GLU 77 1HB GLU 77 -1.685 10.040 -12.938 207 2HB GLU 77 2HB GLU 77 -2.889 9.313 -14.003 208 1HG GLU 77 1HG GLU 77 -3.485 7.950 -11.785 209 2HG GLU 77 2HG GLU 77 -2.790 9.380 -11.019 210 H GLY 78 H GLY 78 -3.516 6.461 -13.207 211 1HA GLY 78 1HA GLY 78 -4.717 5.684 -15.237 212 2HA GLY 78 2HA GLY 78 -3.148 5.545 -16.031 213 H ARG 79 H ARG 79 -5.101 3.415 -15.724 214 HA ARG 79 HA ARG 79 -4.515 1.603 -13.598 215 1HB ARG 79 1HB ARG 79 -6.424 1.490 -15.202 216 2HB ARG 79 2HB ARG 79 -5.296 1.033 -16.478 217 1HG ARG 79 1HG ARG 79 -6.021 -1.060 -15.764 218 2HG ARG 79 2HG ARG 79 -4.588 -0.842 -14.760 219 1HD ARG 79 1HD ARG 79 -6.224 -1.488 -13.184 220 2HD ARG 79 2HD ARG 79 -6.280 0.283 -13.077 221 HE ARG 79 HE ARG 79 -8.064 -0.132 -15.059 222 1HH1 ARG 79 1HH1 ARG 79 -7.746 -1.468 -11.858 223 2HH1 ARG 79 2HH1 ARG 79 -9.376 -2.044 -11.819 224 1HH2 ARG 79 1HH2 ARG 79 -10.136 -1.013 -15.032 225 2HH2 ARG 79 2HH2 ARG 79 -10.718 -1.788 -13.597 226 H ASN 80 H ASN 80 -3.134 1.805 -16.893 227 HA ASN 80 HA ASN 80 -0.949 -0.058 -16.066 228 1HB ASN 80 1HB ASN 80 -2.192 0.849 -18.660 229 2HB ASN 80 2HB ASN 80 -0.604 0.084 -18.656 230 1HD2 ASN 80 2HD2 ASN 80 -1.586 -1.793 -19.807 231 2HD2 ASN 80 1HD2 ASN 80 -2.507 -2.927 -18.943 232 H CYS 81 H CYS 81 -1.166 2.880 -15.355 233 HA CYS 81 HA CYS 81 0.231 4.774 -15.260 234 1HB CYS 81 1HB CYS 81 2.047 2.455 -15.889 235 2HB CYS 81 2HB CYS 81 2.707 4.083 -15.741 236 H GLU 82 H GLU 82 -1.228 4.917 -17.511 237 HA GLU 82 HA GLU 82 0.717 5.522 -19.713 238 1HB GLU 82 1HB GLU 82 -1.255 5.150 -21.190 239 2HB GLU 82 2HB GLU 82 -0.903 3.736 -20.198 240 1HG GLU 82 1HG GLU 82 -2.703 4.208 -18.706 241 2HG GLU 82 2HG GLU 82 -2.907 5.837 -19.352 242 H THR 83 H THR 83 -0.354 7.239 -17.347 243 HA THR 83 HA THR 83 -1.097 9.590 -19.033 244 HB THR 83 HB THR 83 -2.488 8.669 -16.496 245 HG1 THR 83 HG1 THR 83 -4.192 8.216 -17.909 246 1HG2 THR 83 1HG2 THR 83 -3.009 10.978 -18.387 247 2HG2 THR 83 2HG2 THR 83 -4.106 10.476 -17.100 248 3HG2 THR 83 3HG2 THR 83 -2.501 11.092 -16.702 249 H HIS 84 H HIS 84 0.592 10.970 -18.612 250 HA HIS 84 HA HIS 84 2.063 10.941 -16.084 251 1HB HIS 84 1HB HIS 84 2.919 11.427 -18.446 252 2HB HIS 84 2HB HIS 84 2.126 12.997 -18.308 253 HD1 HIS 84 HD1 HIS 84 5.352 12.072 -18.224 254 HD2 HIS 84 HD2 HIS 84 3.002 13.728 -15.205 255 HE1 HIS 84 HE1 HIS 84 6.951 13.141 -16.576 256 H LYS 85 H LYS 85 1.444 12.054 -14.284 257 HA LYS 85 HA LYS 85 -0.878 13.704 -14.109 258 1HB LYS 85 1HB LYS 85 1.573 13.218 -12.426 259 2HB LYS 85 2HB LYS 85 0.368 14.403 -11.921 260 1HG LYS 85 1HG LYS 85 -0.577 11.691 -12.767 261 2HG LYS 85 2HG LYS 85 0.169 11.858 -11.177 262 1HD LYS 85 1HD LYS 85 -1.850 13.917 -11.891 263 2HD LYS 85 2HD LYS 85 -2.468 12.287 -11.616 264 1HE LYS 85 1HE LYS 85 -2.471 13.489 -9.486 265 2HE LYS 85 2HE LYS 85 -1.189 12.263 -9.427 266 1HZ LYS 85 1HZ LYS 85 -0.731 15.039 -10.367 267 2HZ LYS 85 2HZ LYS 85 -0.487 14.564 -8.757 268 3HZ LYS 85 3HZ LYS 85 0.436 13.862 -9.998 269 H ASP 86 H ASP 86 -0.327 16.015 -12.874 270 HA ASP 86 HA ASP 86 0.292 18.261 -13.168 271 1HB ASP 86 1HB ASP 86 2.625 17.038 -14.683 272 2HB ASP 86 2HB ASP 86 2.561 18.655 -13.994 273 H ASP 87 H ASP 87 1.410 16.822 -16.248 274 HA ASP 87 HA ASP 87 0.162 18.959 -17.806 275 1HB ASP 87 1HB ASP 87 2.312 17.742 -18.322 276 2HB ASP 87 2HB ASP 87 1.351 16.310 -18.687 277 H GLY 88 H GLY 88 -0.662 15.663 -16.880 278 1HA GLY 88 1HA GLY 88 -2.671 14.471 -17.113 279 2HA GLY 88 2HA GLY 88 -3.435 15.996 -17.563 280 H SER 89 H SER 89 -4.394 15.779 -19.516 281 HA SER 89 HA SER 89 -3.424 13.845 -21.506 282 1HB SER 89 1HB SER 89 -5.427 14.843 -22.749 283 2HB SER 89 2HB SER 89 -5.787 14.091 -21.198 284 HG SER 89 HG SER 89 -6.512 15.958 -20.598 285 H ALA 90 H ALA 90 -2.439 14.379 -23.478 286 HA ALA 90 HA ALA 90 -2.148 17.150 -24.377 287 1HB ALA 90 1HB ALA 90 -0.534 16.655 -22.384 288 2HB ALA 90 2HB ALA 90 0.377 15.715 -23.566 289 3HB ALA 90 3HB ALA 90 0.126 17.441 -23.818 Start of MODEL 10 1 1H SER 45 1H SER 45 -1.155 -21.678 -11.070 2 2H SER 45 2H SER 45 0.507 -21.416 -10.838 3 3H SER 45 3H SER 45 -0.545 -21.411 -9.507 4 HA SER 45 HA SER 45 0.058 -19.140 -10.092 5 1HB SER 45 1HB SER 45 -1.127 -19.996 -12.752 6 2HB SER 45 2HB SER 45 -0.551 -18.375 -12.371 7 HG SER 45 HG SER 45 0.837 -20.637 -13.032 8 H ASP 46 H ASP 46 -1.800 -17.418 -10.810 9 HA ASP 46 HA ASP 46 -4.531 -18.412 -10.266 10 1HB ASP 46 1HB ASP 46 -3.329 -18.143 -8.065 11 2HB ASP 46 2HB ASP 46 -3.140 -16.429 -8.437 12 H GLY 47 H GLY 47 -3.634 -17.210 -12.598 13 1HA GLY 47 1HA GLY 47 -5.015 -15.534 -13.824 14 2HA GLY 47 2HA GLY 47 -4.842 -14.477 -12.422 15 H ASP 48 H ASP 48 -3.751 -14.867 -15.481 16 HA ASP 48 HA ASP 48 -0.909 -14.205 -15.002 17 1HB ASP 48 1HB ASP 48 -2.670 -15.125 -17.180 18 2HB ASP 48 2HB ASP 48 -1.436 -13.984 -17.704 19 H GLN 49 H GLN 49 -1.970 -12.166 -13.810 20 HA GLN 49 HA GLN 49 -2.854 -10.002 -15.585 21 1HB GLN 49 1HB GLN 49 -2.171 -10.272 -12.648 22 2HB GLN 49 2HB GLN 49 -2.692 -8.747 -13.365 23 1HG GLN 49 1HG GLN 49 -4.716 -9.656 -12.614 24 2HG GLN 49 2HG GLN 49 -4.682 -10.158 -14.305 25 1HE2 GLN 49 2HE2 GLN 49 -3.176 -11.444 -11.276 26 2HE2 GLN 49 1HE2 GLN 49 -3.693 -13.041 -11.530 27 H CYS 50 H CYS 50 0.060 -10.755 -13.662 28 HA CYS 50 HA CYS 50 1.500 -8.483 -14.962 29 1HB CYS 50 1HB CYS 50 1.399 -8.783 -12.460 30 2HB CYS 50 2HB CYS 50 2.295 -10.289 -12.656 31 H ALA 51 H ALA 51 1.099 -10.468 -16.785 32 HA ALA 51 HA ALA 51 3.327 -12.403 -16.738 33 1HB ALA 51 1HB ALA 51 0.858 -12.643 -17.587 34 2HB ALA 51 2HB ALA 51 1.468 -11.854 -19.041 35 3HB ALA 51 3HB ALA 51 2.155 -13.392 -18.519 36 H SER 52 H SER 52 2.215 -9.909 -19.073 37 HA SER 52 HA SER 52 4.981 -9.739 -20.163 38 1HB SER 52 1HB SER 52 2.247 -8.781 -21.044 39 2HB SER 52 2HB SER 52 3.724 -8.375 -21.914 40 HG SER 52 HG SER 52 2.413 -10.825 -21.614 41 H SER 53 H SER 53 4.066 -8.508 -17.517 42 HA SER 53 HA SER 53 4.331 -6.472 -16.345 43 1HB SER 53 1HB SER 53 6.148 -5.755 -18.650 44 2HB SER 53 2HB SER 53 6.336 -5.345 -16.948 45 HG SER 53 HG SER 53 6.766 -7.779 -18.282 46 HA PRO 54 HA PRO 54 1.507 -4.203 -19.246 47 1HB PRO 54 1HB PRO 54 -0.525 -3.831 -17.452 48 2HB PRO 54 2HB PRO 54 -0.380 -5.286 -18.460 49 1HG PRO 54 1HG PRO 54 0.335 -4.885 -15.601 50 2HG PRO 54 2HG PRO 54 -0.385 -6.292 -16.400 51 1HD PRO 54 1HD PRO 54 2.251 -6.127 -15.708 52 2HD PRO 54 2HD PRO 54 1.642 -7.126 -17.045 53 H CYS 55 H CYS 55 2.671 -3.622 -15.988 54 HA CYS 55 HA CYS 55 1.884 -0.914 -15.598 55 1HB CYS 55 1HB CYS 55 4.411 -2.381 -14.764 56 2HB CYS 55 2HB CYS 55 3.806 -0.899 -14.027 57 H GLN 56 H GLN 56 2.288 0.718 -17.040 58 HA GLN 56 HA GLN 56 4.653 0.651 -18.806 59 1HB GLN 56 1HB GLN 56 2.041 2.007 -18.577 60 2HB GLN 56 2HB GLN 56 3.326 3.033 -19.213 61 1HG GLN 56 1HG GLN 56 2.399 1.977 -21.126 62 2HG GLN 56 2HG GLN 56 3.875 1.072 -20.789 63 1HE2 GLN 56 2HE2 GLN 56 0.334 0.989 -20.141 64 2HE2 GLN 56 1HE2 GLN 56 0.241 -0.703 -20.045 65 H ASN 57 H ASN 57 5.286 3.317 -19.043 66 HA ASN 57 HA ASN 57 6.685 4.972 -18.114 67 1HB ASN 57 1HB ASN 57 4.963 4.362 -15.690 68 2HB ASN 57 2HB ASN 57 5.883 5.839 -15.956 69 1HD2 ASN 57 2HD2 ASN 57 5.190 5.971 -18.878 70 2HD2 ASN 57 1HD2 ASN 57 3.559 6.427 -18.940 71 H GLY 58 H GLY 58 7.333 1.967 -17.689 72 1HA GLY 58 1HA GLY 58 9.060 0.759 -16.664 73 2HA GLY 58 2HA GLY 58 9.793 2.320 -16.300 74 H GLY 59 H GLY 59 6.653 1.076 -15.200 75 1HA GLY 59 1HA GLY 59 7.437 1.693 -12.416 76 2HA GLY 59 2HA GLY 59 5.815 1.272 -12.963 77 H SER 60 H SER 60 6.763 0.021 -10.717 78 HA SER 60 HA SER 60 7.915 -2.597 -11.473 79 1HB SER 60 1HB SER 60 7.607 -0.913 -9.112 80 2HB SER 60 2HB SER 60 7.154 -2.580 -8.770 81 HG SER 60 HG SER 60 9.597 -1.550 -9.751 82 H CYS 61 H CYS 61 6.642 -4.346 -11.912 83 HA CYS 61 HA CYS 61 3.711 -4.145 -11.510 84 1HB CYS 61 1HB CYS 61 4.743 -4.799 -13.681 85 2HB CYS 61 2HB CYS 61 5.456 -6.207 -12.895 86 H LYS 62 H LYS 62 2.736 -5.134 -9.806 87 HA LYS 62 HA LYS 62 4.140 -7.432 -8.477 88 1HB LYS 62 1HB LYS 62 3.053 -4.853 -7.478 89 2HB LYS 62 2HB LYS 62 2.712 -6.264 -6.477 90 1HG LYS 62 1HG LYS 62 5.497 -6.034 -7.485 91 2HG LYS 62 2HG LYS 62 5.010 -4.837 -6.286 92 1HD LYS 62 1HD LYS 62 5.933 -6.758 -5.122 93 2HD LYS 62 2HD LYS 62 4.195 -6.710 -4.830 94 1HE LYS 62 1HE LYS 62 3.774 -8.501 -6.327 95 2HE LYS 62 2HE LYS 62 5.365 -8.338 -7.098 96 1HZ LYS 62 1HZ LYS 62 4.905 -9.064 -4.251 97 2HZ LYS 62 2HZ LYS 62 5.334 -10.158 -5.479 98 3HZ LYS 62 3HZ LYS 62 6.415 -8.934 -5.018 99 H ASP 63 H ASP 63 2.793 -9.167 -7.936 100 HA ASP 63 HA ASP 63 0.052 -9.117 -9.067 101 1HB ASP 63 1HB ASP 63 0.236 -11.570 -8.728 102 2HB ASP 63 2HB ASP 63 1.625 -10.938 -9.609 103 H GLN 64 H GLN 64 -1.723 -8.870 -7.777 104 HA GLN 64 HA GLN 64 -1.429 -9.386 -4.832 105 1HB GLN 64 1HB GLN 64 -2.972 -7.242 -6.334 106 2HB GLN 64 2HB GLN 64 -3.010 -7.465 -4.585 107 1HG GLN 64 1HG GLN 64 -0.406 -7.085 -6.062 108 2HG GLN 64 2HG GLN 64 -1.363 -5.708 -5.515 109 1HE2 GLN 64 2HE2 GLN 64 -1.991 -5.822 -3.076 110 2HE2 GLN 64 1HE2 GLN 64 -0.820 -6.443 -2.015 111 H LEU 65 H LEU 65 -2.347 -11.316 -6.788 112 HA LEU 65 HA LEU 65 -4.096 -12.869 -7.066 113 1HB LEU 65 1HB LEU 65 -4.060 -12.205 -4.456 114 2HB LEU 65 2HB LEU 65 -5.663 -11.595 -4.868 115 HG LEU 65 HG LEU 65 -4.875 -14.333 -5.801 116 1HD1 LEU 65 1HD1 LEU 65 -4.469 -13.828 -3.206 117 2HD1 LEU 65 2HD1 LEU 65 -6.216 -14.056 -3.146 118 3HD1 LEU 65 3HD1 LEU 65 -5.178 -15.347 -3.750 119 1HD2 LEU 65 1HD2 LEU 65 -7.095 -12.842 -6.170 120 2HD2 LEU 65 2HD2 LEU 65 -7.143 -14.601 -6.072 121 3HD2 LEU 65 3HD2 LEU 65 -7.533 -13.629 -4.654 122 H GLN 66 H GLN 66 -6.036 -12.962 -8.239 123 HA GLN 66 HA GLN 66 -7.805 -12.182 -9.579 124 1HB GLN 66 1HB GLN 66 -7.905 -10.802 -7.027 125 2HB GLN 66 2HB GLN 66 -8.501 -9.746 -8.307 126 1HG GLN 66 1HG GLN 66 -10.112 -11.414 -9.014 127 2HG GLN 66 2HG GLN 66 -9.439 -12.598 -7.893 128 1HE2 GLN 66 2HE2 GLN 66 -10.995 -12.843 -6.268 129 2HE2 GLN 66 1HE2 GLN 66 -11.739 -11.559 -5.443 130 H SER 67 H SER 67 -6.687 -8.956 -8.554 131 HA SER 67 HA SER 67 -6.114 -8.333 -11.420 132 1HB SER 67 1HB SER 67 -6.540 -6.043 -10.734 133 2HB SER 67 2HB SER 67 -7.818 -7.054 -10.066 134 HG SER 67 HG SER 67 -7.020 -6.783 -8.100 135 H TYR 68 H TYR 68 -4.509 -6.039 -10.876 136 HA TYR 68 HA TYR 68 -2.099 -7.149 -9.495 137 1HB TYR 68 1HB TYR 68 -0.761 -6.384 -11.468 138 2HB TYR 68 2HB TYR 68 -1.919 -7.644 -11.888 139 HD1 TYR 68 HD1 TYR 68 -1.118 -4.054 -12.161 140 HD2 TYR 68 HD2 TYR 68 -3.891 -7.152 -13.239 141 HE1 TYR 68 HE1 TYR 68 -2.147 -2.548 -13.841 142 HE2 TYR 68 HE2 TYR 68 -4.920 -5.647 -14.919 143 HH TYR 68 HH TYR 68 -5.126 -3.218 -15.327 144 H ILE 69 H ILE 69 -0.366 -5.304 -9.411 145 HA ILE 69 HA ILE 69 -1.641 -2.620 -9.096 146 HB ILE 69 HB ILE 69 -1.680 -3.812 -6.933 147 1HG1 ILE 69 1HG1 ILE 69 0.512 -1.715 -6.958 148 2HG1 ILE 69 2HG1 ILE 69 -1.211 -1.345 -7.035 149 1HG2 ILE 69 1HG2 ILE 69 0.329 -5.269 -7.543 150 2HG2 ILE 69 2HG2 ILE 69 1.340 -3.899 -7.085 151 3HG2 ILE 69 3HG2 ILE 69 0.292 -4.660 -5.889 152 1HD1 ILE 69 1HD1 ILE 69 -1.227 -2.976 -4.894 153 2HD1 ILE 69 2HD1 ILE 69 0.412 -2.341 -4.747 154 3HD1 ILE 69 3HD1 ILE 69 -0.964 -1.237 -4.755 155 H CYS 70 H CYS 70 -0.407 -1.184 -10.232 156 HA CYS 70 HA CYS 70 2.392 -1.881 -10.930 157 1HB CYS 70 1HB CYS 70 0.392 0.218 -11.806 158 2HB CYS 70 2HB CYS 70 2.053 0.187 -12.396 159 H PHE 71 H PHE 71 4.134 -0.838 -10.034 160 HA PHE 71 HA PHE 71 3.601 1.330 -8.044 161 1HB PHE 71 1HB PHE 71 5.723 -0.770 -8.476 162 2HB PHE 71 2HB PHE 71 6.047 0.621 -7.440 163 HD1 PHE 71 HD1 PHE 71 4.403 1.118 -5.534 164 HD2 PHE 71 HD2 PHE 71 4.467 -2.604 -7.676 165 HE1 PHE 71 HE1 PHE 71 3.157 0.033 -3.685 166 HE2 PHE 71 HE2 PHE 71 3.221 -3.689 -5.827 167 HZ PHE 71 HZ PHE 71 2.566 -2.371 -3.832 168 H CYS 72 H CYS 72 3.386 2.688 -10.157 169 HA CYS 72 HA CYS 72 5.885 3.308 -11.573 170 1HB CYS 72 1HB CYS 72 3.089 4.484 -11.599 171 2HB CYS 72 2HB CYS 72 4.361 4.911 -12.743 172 H LEU 73 H LEU 73 6.201 5.855 -11.848 173 HA LEU 73 HA LEU 73 6.992 6.897 -9.246 174 1HB LEU 73 1HB LEU 73 6.910 8.087 -12.041 175 2HB LEU 73 2HB LEU 73 7.746 8.814 -10.672 176 HG LEU 73 HG LEU 73 8.305 5.983 -11.493 177 1HD1 LEU 73 1HD1 LEU 73 8.974 8.421 -12.964 178 2HD1 LEU 73 2HD1 LEU 73 10.407 7.505 -12.499 179 3HD1 LEU 73 3HD1 LEU 73 9.140 6.735 -13.453 180 1HD2 LEU 73 1HD2 LEU 73 9.758 8.134 -9.941 181 2HD2 LEU 73 2HD2 LEU 73 9.190 6.573 -9.349 182 3HD2 LEU 73 3HD2 LEU 73 10.550 6.649 -10.469 183 HA PRO 74 HA PRO 74 3.439 9.317 -8.301 184 1HB PRO 74 1HB PRO 74 4.496 11.692 -7.425 185 2HB PRO 74 2HB PRO 74 4.528 10.198 -6.464 186 1HG PRO 74 1HG PRO 74 6.677 11.422 -8.128 187 2HG PRO 74 2HG PRO 74 6.784 10.650 -6.537 188 1HD PRO 74 1HD PRO 74 7.501 9.388 -8.817 189 2HD PRO 74 2HD PRO 74 6.819 8.525 -7.422 190 H ALA 75 H ALA 75 5.610 10.276 -10.794 191 HA ALA 75 HA ALA 75 4.004 12.615 -11.634 192 1HB ALA 75 1HB ALA 75 6.623 12.090 -11.713 193 2HB ALA 75 2HB ALA 75 6.185 11.383 -13.269 194 3HB ALA 75 3HB ALA 75 5.852 13.085 -12.949 195 H PHE 76 H PHE 76 3.342 9.427 -11.808 196 HA PHE 76 HA PHE 76 2.296 9.601 -14.618 197 1HB PHE 76 1HB PHE 76 3.441 7.314 -12.997 198 2HB PHE 76 2HB PHE 76 2.553 7.059 -14.499 199 HD1 PHE 76 HD1 PHE 76 3.365 9.070 -16.323 200 HD2 PHE 76 HD2 PHE 76 5.732 7.118 -13.318 201 HE1 PHE 76 HE1 PHE 76 5.422 9.573 -17.615 202 HE2 PHE 76 HE2 PHE 76 7.786 7.622 -14.610 203 HZ PHE 76 HZ PHE 76 7.633 8.847 -16.756 204 H GLU 77 H GLU 77 0.271 8.335 -14.942 205 HA GLU 77 HA GLU 77 -1.283 7.682 -12.496 206 1HB GLU 77 1HB GLU 77 -1.368 10.201 -13.563 207 2HB GLU 77 2HB GLU 77 -2.682 9.421 -14.444 208 1HG GLU 77 1HG GLU 77 -3.675 10.312 -12.464 209 2HG GLU 77 2HG GLU 77 -3.514 8.579 -12.179 210 H GLY 78 H GLY 78 -3.503 6.788 -13.197 211 1HA GLY 78 1HA GLY 78 -4.860 5.756 -14.960 212 2HA GLY 78 2HA GLY 78 -3.382 5.510 -15.893 213 H ARG 79 H ARG 79 -5.353 3.481 -15.090 214 HA ARG 79 HA ARG 79 -4.498 1.886 -12.884 215 1HB ARG 79 1HB ARG 79 -6.617 1.673 -14.200 216 2HB ARG 79 2HB ARG 79 -5.679 1.020 -15.544 217 1HG ARG 79 1HG ARG 79 -6.213 -0.976 -14.552 218 2HG ARG 79 2HG ARG 79 -4.797 -0.597 -13.569 219 1HD ARG 79 1HD ARG 79 -6.441 0.641 -11.999 220 2HD ARG 79 2HD ARG 79 -7.716 -0.245 -12.859 221 HE ARG 79 HE ARG 79 -6.860 -2.291 -11.978 222 1HH1 ARG 79 1HH1 ARG 79 -4.539 0.266 -11.513 223 2HH1 ARG 79 2HH1 ARG 79 -3.705 -0.574 -10.253 224 1HH2 ARG 79 1HH2 ARG 79 -5.838 -3.297 -10.242 225 2HH2 ARG 79 2HH2 ARG 79 -4.430 -2.572 -9.540 226 H ASN 80 H ASN 80 -3.566 1.742 -16.332 227 HA ASN 80 HA ASN 80 -1.383 -0.177 -15.666 228 1HB ASN 80 1HB ASN 80 -2.834 0.740 -18.144 229 2HB ASN 80 2HB ASN 80 -1.296 -0.111 -18.280 230 1HD2 ASN 80 2HD2 ASN 80 -1.293 -2.173 -16.643 231 2HD2 ASN 80 1HD2 ASN 80 -2.681 -3.143 -16.760 232 H CYS 81 H CYS 81 -1.410 2.837 -15.086 233 HA CYS 81 HA CYS 81 0.085 4.653 -15.220 234 1HB CYS 81 1HB CYS 81 1.791 2.241 -15.873 235 2HB CYS 81 2HB CYS 81 2.479 3.848 -15.660 236 H GLU 82 H GLU 82 -1.466 4.812 -17.367 237 HA GLU 82 HA GLU 82 0.349 5.026 -19.744 238 1HB GLU 82 1HB GLU 82 -1.782 4.860 -21.029 239 2HB GLU 82 2HB GLU 82 -1.529 3.465 -19.982 240 1HG GLU 82 1HG GLU 82 -2.991 5.712 -18.725 241 2HG GLU 82 2HG GLU 82 -3.843 4.920 -20.050 242 H THR 83 H THR 83 -0.353 7.015 -17.410 243 HA THR 83 HA THR 83 -0.886 9.339 -19.218 244 HB THR 83 HB THR 83 -2.135 8.802 -16.503 245 HG1 THR 83 HG1 THR 83 -3.679 7.896 -17.575 246 1HG2 THR 83 1HG2 THR 83 -2.287 11.074 -18.473 247 2HG2 THR 83 2HG2 THR 83 -3.617 10.753 -17.359 248 3HG2 THR 83 3HG2 THR 83 -2.015 11.139 -16.732 249 H HIS 84 H HIS 84 0.396 11.119 -18.732 250 HA HIS 84 HA HIS 84 2.331 10.816 -16.472 251 1HB HIS 84 1HB HIS 84 2.987 11.066 -18.945 252 2HB HIS 84 2HB HIS 84 2.430 12.733 -18.811 253 HD1 HIS 84 HD1 HIS 84 5.484 11.690 -19.168 254 HD2 HIS 84 HD2 HIS 84 3.725 13.137 -15.676 255 HE1 HIS 84 HE1 HIS 84 7.376 12.507 -17.698 256 H LYS 85 H LYS 85 1.941 12.062 -14.695 257 HA LYS 85 HA LYS 85 -0.036 14.230 -14.750 258 1HB LYS 85 1HB LYS 85 1.830 13.141 -12.616 259 2HB LYS 85 2HB LYS 85 0.516 14.277 -12.316 260 1HG LYS 85 1HG LYS 85 -0.057 11.695 -13.741 261 2HG LYS 85 2HG LYS 85 0.096 11.706 -11.984 262 1HD LYS 85 1HD LYS 85 -1.746 13.547 -13.534 263 2HD LYS 85 2HD LYS 85 -2.263 12.037 -12.784 264 1HE LYS 85 1HE LYS 85 -1.011 13.175 -10.666 265 2HE LYS 85 2HE LYS 85 -1.575 14.632 -11.509 266 1HZ LYS 85 1HZ LYS 85 -3.765 13.508 -11.738 267 2HZ LYS 85 2HZ LYS 85 -3.201 12.278 -10.712 268 3HZ LYS 85 3HZ LYS 85 -3.350 13.868 -10.134 269 H ASP 86 H ASP 86 1.062 16.074 -12.982 270 HA ASP 86 HA ASP 86 2.357 18.049 -12.984 271 1HB ASP 86 1HB ASP 86 3.956 15.906 -12.698 272 2HB ASP 86 2HB ASP 86 4.615 16.530 -14.211 273 H ASP 87 H ASP 87 0.806 18.498 -14.966 274 HA ASP 87 HA ASP 87 2.534 19.397 -17.215 275 1HB ASP 87 1HB ASP 87 0.927 18.382 -18.829 276 2HB ASP 87 2HB ASP 87 1.703 17.163 -17.819 277 H GLY 88 H GLY 88 2.089 21.556 -17.324 278 1HA GLY 88 1HA GLY 88 -0.228 22.803 -16.207 279 2HA GLY 88 2HA GLY 88 0.887 23.572 -17.338 280 H SER 89 H SER 89 -2.163 21.961 -17.003 281 HA SER 89 HA SER 89 -3.041 22.895 -19.627 282 1HB SER 89 1HB SER 89 -2.178 20.078 -19.105 283 2HB SER 89 2HB SER 89 -3.565 20.333 -20.158 284 HG SER 89 HG SER 89 -2.188 21.845 -21.314 285 H ALA 90 H ALA 90 -3.965 20.025 -17.710 286 HA ALA 90 HA ALA 90 -6.761 20.929 -17.607 287 1HB ALA 90 1HB ALA 90 -5.235 18.536 -16.536 288 2HB ALA 90 2HB ALA 90 -6.983 18.718 -16.401 289 3HB ALA 90 3HB ALA 90 -6.230 18.593 -17.990 Start of MODEL 11 1 1H SER 45 1H SER 45 -8.969 -16.973 -9.400 2 2H SER 45 2H SER 45 -9.398 -17.595 -7.878 3 3H SER 45 3H SER 45 -9.010 -15.952 -8.043 4 HA SER 45 HA SER 45 -7.126 -17.034 -7.066 5 1HB SER 45 1HB SER 45 -7.482 -18.903 -9.431 6 2HB SER 45 2HB SER 45 -6.188 -19.014 -8.241 7 HG SER 45 HG SER 45 -7.589 -19.685 -6.761 8 H ASP 46 H ASP 46 -4.812 -17.178 -8.213 9 HA ASP 46 HA ASP 46 -4.579 -14.777 -9.897 10 1HB ASP 46 1HB ASP 46 -3.098 -15.377 -7.952 11 2HB ASP 46 2HB ASP 46 -2.487 -16.735 -8.898 12 H GLY 47 H GLY 47 -3.866 -14.767 -12.056 13 1HA GLY 47 1HA GLY 47 -3.306 -17.384 -13.357 14 2HA GLY 47 2HA GLY 47 -4.587 -16.371 -14.023 15 H ASP 48 H ASP 48 -3.995 -14.885 -15.528 16 HA ASP 48 HA ASP 48 -1.071 -14.270 -15.815 17 1HB ASP 48 1HB ASP 48 -2.166 -15.596 -17.617 18 2HB ASP 48 2HB ASP 48 -3.319 -14.283 -17.857 19 H GLN 49 H GLN 49 -1.402 -12.458 -14.258 20 HA GLN 49 HA GLN 49 -2.976 -10.164 -15.368 21 1HB GLN 49 1HB GLN 49 -1.970 -10.945 -12.622 22 2HB GLN 49 2HB GLN 49 -2.637 -9.348 -12.961 23 1HG GLN 49 1HG GLN 49 -4.513 -10.552 -12.212 24 2HG GLN 49 2HG GLN 49 -4.652 -10.651 -13.967 25 1HE2 GLN 49 2HE2 GLN 49 -5.464 -12.733 -14.355 26 2HE2 GLN 49 1HE2 GLN 49 -4.794 -14.157 -13.721 27 H CYS 50 H CYS 50 0.109 -10.823 -13.660 28 HA CYS 50 HA CYS 50 1.296 -8.440 -15.050 29 1HB CYS 50 1HB CYS 50 1.044 -8.417 -12.544 30 2HB CYS 50 2HB CYS 50 2.117 -9.815 -12.471 31 H ALA 51 H ALA 51 1.246 -10.779 -16.533 32 HA ALA 51 HA ALA 51 3.773 -12.258 -16.115 33 1HB ALA 51 1HB ALA 51 1.441 -13.143 -16.847 34 2HB ALA 51 2HB ALA 51 1.855 -12.491 -18.432 35 3HB ALA 51 3HB ALA 51 2.857 -13.748 -17.708 36 H SER 52 H SER 52 2.283 -10.400 -18.803 37 HA SER 52 HA SER 52 4.965 -10.050 -20.039 38 1HB SER 52 1HB SER 52 3.499 -9.124 -21.897 39 2HB SER 52 2HB SER 52 3.176 -10.801 -21.467 40 HG SER 52 HG SER 52 1.592 -8.591 -21.249 41 H SER 53 H SER 53 4.021 -8.569 -17.540 42 HA SER 53 HA SER 53 4.088 -6.373 -16.670 43 1HB SER 53 1HB SER 53 6.345 -6.743 -17.756 44 2HB SER 53 2HB SER 53 5.727 -5.908 -19.178 45 HG SER 53 HG SER 53 5.905 -4.074 -18.158 46 HA PRO 54 HA PRO 54 0.865 -4.870 -19.641 47 1HB PRO 54 1HB PRO 54 -1.066 -4.402 -17.759 48 2HB PRO 54 2HB PRO 54 -0.836 -5.982 -18.535 49 1HG PRO 54 1HG PRO 54 0.039 -5.048 -15.850 50 2HG PRO 54 2HG PRO 54 -0.590 -6.626 -16.347 51 1HD PRO 54 1HD PRO 54 2.058 -6.121 -15.928 52 2HD PRO 54 2HD PRO 54 1.458 -7.368 -17.043 53 H CYS 55 H CYS 55 2.263 -3.644 -16.681 54 HA CYS 55 HA CYS 55 1.263 -0.894 -17.112 55 1HB CYS 55 1HB CYS 55 3.080 -2.215 -15.068 56 2HB CYS 55 2HB CYS 55 2.551 -0.533 -14.980 57 H GLN 56 H GLN 56 2.559 0.807 -17.845 58 HA GLN 56 HA GLN 56 5.305 0.072 -18.811 59 1HB GLN 56 1HB GLN 56 4.809 1.638 -20.666 60 2HB GLN 56 2HB GLN 56 3.577 0.385 -20.555 61 1HG GLN 56 1HG GLN 56 2.042 1.874 -19.451 62 2HG GLN 56 2HG GLN 56 3.289 3.106 -19.260 63 1HE2 GLN 56 2HE2 GLN 56 1.101 1.592 -21.594 64 2HE2 GLN 56 1HE2 GLN 56 1.354 2.725 -22.833 65 H ASN 57 H ASN 57 5.864 2.842 -19.568 66 HA ASN 57 HA ASN 57 6.892 4.745 -18.640 67 1HB ASN 57 1HB ASN 57 4.416 4.274 -16.987 68 2HB ASN 57 2HB ASN 57 5.492 5.618 -16.608 69 1HD2 ASN 57 2HD2 ASN 57 2.802 6.020 -17.583 70 2HD2 ASN 57 1HD2 ASN 57 2.906 6.740 -19.116 71 H GLY 58 H GLY 58 7.845 2.092 -17.754 72 1HA GLY 58 1HA GLY 58 9.340 1.214 -16.175 73 2HA GLY 58 2HA GLY 58 9.643 2.884 -15.696 74 H GLY 59 H GLY 59 6.432 1.482 -15.547 75 1HA GLY 59 1HA GLY 59 6.176 2.155 -12.742 76 2HA GLY 59 2HA GLY 59 4.985 1.274 -13.701 77 H SER 60 H SER 60 5.564 0.496 -11.076 78 HA SER 60 HA SER 60 7.290 -1.935 -11.370 79 1HB SER 60 1HB SER 60 6.110 -0.795 -8.834 80 2HB SER 60 2HB SER 60 7.548 -1.795 -9.012 81 HG SER 60 HG SER 60 8.658 -0.091 -9.740 82 H CYS 61 H CYS 61 5.943 -3.544 -12.181 83 HA CYS 61 HA CYS 61 3.156 -3.794 -11.237 84 1HB CYS 61 1HB CYS 61 3.846 -4.071 -13.612 85 2HB CYS 61 2HB CYS 61 4.842 -5.449 -13.146 86 H LYS 62 H LYS 62 2.427 -5.391 -9.860 87 HA LYS 62 HA LYS 62 4.365 -7.468 -8.914 88 1HB LYS 62 1HB LYS 62 3.106 -5.214 -7.494 89 2HB LYS 62 2HB LYS 62 2.893 -6.761 -6.677 90 1HG LYS 62 1HG LYS 62 5.508 -6.962 -7.326 91 2HG LYS 62 2HG LYS 62 5.379 -5.209 -7.173 92 1HD LYS 62 1HD LYS 62 4.085 -6.826 -5.036 93 2HD LYS 62 2HD LYS 62 5.849 -6.812 -5.058 94 1HE LYS 62 1HE LYS 62 4.526 -4.168 -5.413 95 2HE LYS 62 2HE LYS 62 4.420 -4.897 -3.798 96 1HZ LYS 62 1HZ LYS 62 6.932 -4.700 -5.370 97 2HZ LYS 62 2HZ LYS 62 6.487 -3.593 -4.165 98 3HZ LYS 62 3HZ LYS 62 6.771 -5.218 -3.760 99 H ASP 63 H ASP 63 3.401 -9.476 -8.669 100 HA ASP 63 HA ASP 63 0.711 -9.899 -9.676 101 1HB ASP 63 1HB ASP 63 1.247 -12.263 -9.104 102 2HB ASP 63 2HB ASP 63 2.561 -11.487 -9.986 103 H GLN 64 H GLN 64 -1.173 -9.906 -8.525 104 HA GLN 64 HA GLN 64 -1.072 -10.362 -5.569 105 1HB GLN 64 1HB GLN 64 -2.189 -8.050 -7.151 106 2HB GLN 64 2HB GLN 64 -2.865 -8.456 -5.574 107 1HG GLN 64 1HG GLN 64 0.075 -7.924 -6.092 108 2HG GLN 64 2HG GLN 64 -1.056 -6.740 -5.438 109 1HE2 GLN 64 2HE2 GLN 64 1.201 -9.050 -4.501 110 2HE2 GLN 64 1HE2 GLN 64 0.641 -9.338 -2.924 111 H LEU 65 H LEU 65 -3.315 -10.851 -4.721 112 HA LEU 65 HA LEU 65 -4.617 -12.895 -6.256 113 1HB LEU 65 1HB LEU 65 -5.119 -11.346 -3.740 114 2HB LEU 65 2HB LEU 65 -6.431 -12.331 -4.387 115 HG LEU 65 HG LEU 65 -4.418 -14.111 -4.591 116 1HD1 LEU 65 1HD1 LEU 65 -2.824 -12.434 -3.593 117 2HD1 LEU 65 2HD1 LEU 65 -3.760 -12.513 -2.101 118 3HD1 LEU 65 3HD1 LEU 65 -2.923 -13.948 -2.693 119 1HD2 LEU 65 1HD2 LEU 65 -6.704 -13.937 -3.173 120 2HD2 LEU 65 2HD2 LEU 65 -5.537 -15.235 -2.924 121 3HD2 LEU 65 3HD2 LEU 65 -5.546 -13.838 -1.847 122 H GLN 66 H GLN 66 -6.724 -12.841 -7.250 123 HA GLN 66 HA GLN 66 -8.510 -11.920 -8.481 124 1HB GLN 66 1HB GLN 66 -8.417 -10.498 -6.182 125 2HB GLN 66 2HB GLN 66 -8.091 -9.204 -7.335 126 1HG GLN 66 1HG GLN 66 -10.381 -9.130 -7.437 127 2HG GLN 66 2HG GLN 66 -10.135 -10.424 -8.609 128 1HE2 GLN 66 2HE2 GLN 66 -9.446 -12.550 -6.828 129 2HE2 GLN 66 1HE2 GLN 66 -10.797 -12.907 -5.866 130 H SER 67 H SER 67 -6.142 -9.230 -8.149 131 HA SER 67 HA SER 67 -5.738 -9.316 -11.108 132 1HB SER 67 1HB SER 67 -7.559 -7.714 -10.469 133 2HB SER 67 2HB SER 67 -6.396 -6.846 -9.470 134 HG SER 67 HG SER 67 -6.619 -7.027 -12.247 135 H TYR 68 H TYR 68 -4.191 -6.910 -11.161 136 HA TYR 68 HA TYR 68 -1.797 -7.768 -9.572 137 1HB TYR 68 1HB TYR 68 -0.540 -6.648 -11.424 138 2HB TYR 68 2HB TYR 68 -1.565 -7.961 -12.002 139 HD1 TYR 68 HD1 TYR 68 -1.463 -4.249 -11.545 140 HD2 TYR 68 HD2 TYR 68 -3.236 -7.562 -13.626 141 HE1 TYR 68 HE1 TYR 68 -2.629 -2.673 -13.061 142 HE2 TYR 68 HE2 TYR 68 -4.402 -5.985 -15.142 143 HH TYR 68 HH TYR 68 -5.167 -3.330 -14.796 144 H ILE 69 H ILE 69 -0.252 -5.824 -9.222 145 HA ILE 69 HA ILE 69 -1.764 -3.320 -8.599 146 HB ILE 69 HB ILE 69 -1.594 -4.755 -6.588 147 1HG1 ILE 69 1HG1 ILE 69 0.359 -2.446 -6.405 148 2HG1 ILE 69 2HG1 ILE 69 -1.392 -2.243 -6.451 149 1HG2 ILE 69 1HG2 ILE 69 0.574 -5.868 -7.428 150 2HG2 ILE 69 2HG2 ILE 69 1.408 -4.461 -6.769 151 3HG2 ILE 69 3HG2 ILE 69 0.476 -5.511 -5.705 152 1HD1 ILE 69 1HD1 ILE 69 -1.243 -4.081 -4.496 153 2HD1 ILE 69 2HD1 ILE 69 0.332 -3.320 -4.276 154 3HD1 ILE 69 3HD1 ILE 69 -1.137 -2.350 -4.170 155 H CYS 70 H CYS 70 -0.744 -1.749 -9.781 156 HA CYS 70 HA CYS 70 2.205 -2.000 -10.219 157 1HB CYS 70 1HB CYS 70 -0.106 -0.856 -11.760 158 2HB CYS 70 2HB CYS 70 1.534 -0.298 -12.094 159 H PHE 71 H PHE 71 3.543 -0.373 -9.535 160 HA PHE 71 HA PHE 71 2.303 1.960 -8.129 161 1HB PHE 71 1HB PHE 71 5.047 0.661 -7.988 162 2HB PHE 71 2HB PHE 71 4.541 2.040 -7.013 163 HD1 PHE 71 HD1 PHE 71 3.986 -1.563 -7.675 164 HD2 PHE 71 HD2 PHE 71 3.027 1.780 -5.150 165 HE1 PHE 71 HE1 PHE 71 2.951 -3.101 -6.030 166 HE2 PHE 71 HE2 PHE 71 1.992 0.240 -3.505 167 HZ PHE 71 HZ PHE 71 1.955 -2.201 -3.945 168 H CYS 72 H CYS 72 2.093 3.514 -9.759 169 HA CYS 72 HA CYS 72 4.031 3.868 -11.892 170 1HB CYS 72 1HB CYS 72 1.867 5.723 -10.842 171 2HB CYS 72 2HB CYS 72 2.620 5.807 -12.431 172 H LEU 73 H LEU 73 4.682 6.411 -12.138 173 HA LEU 73 HA LEU 73 6.617 6.905 -9.981 174 1HB LEU 73 1HB LEU 73 6.148 7.596 -12.775 175 2HB LEU 73 2HB LEU 73 6.617 9.016 -11.843 176 HG LEU 73 HG LEU 73 8.582 7.761 -10.974 177 1HD1 LEU 73 1HD1 LEU 73 7.633 5.640 -12.927 178 2HD1 LEU 73 2HD1 LEU 73 9.173 5.614 -12.068 179 3HD1 LEU 73 3HD1 LEU 73 7.660 5.489 -11.170 180 1HD2 LEU 73 1HD2 LEU 73 8.473 9.110 -13.217 181 2HD2 LEU 73 2HD2 LEU 73 9.886 8.106 -12.889 182 3HD2 LEU 73 3HD2 LEU 73 8.621 7.523 -13.973 183 HA PRO 74 HA PRO 74 4.411 10.014 -7.791 184 1HB PRO 74 1HB PRO 74 6.153 12.123 -7.591 185 2HB PRO 74 2HB PRO 74 6.326 10.623 -6.656 186 1HG PRO 74 1HG PRO 74 7.712 11.458 -9.164 187 2HG PRO 74 2HG PRO 74 8.371 10.659 -7.726 188 1HD PRO 74 1HD PRO 74 7.797 9.302 -9.983 189 2HD PRO 74 2HD PRO 74 7.612 8.576 -8.370 190 H ALA 75 H ALA 75 5.782 10.951 -10.881 191 HA ALA 75 HA ALA 75 3.779 13.167 -11.113 192 1HB ALA 75 1HB ALA 75 6.541 12.637 -12.071 193 2HB ALA 75 2HB ALA 75 5.483 13.479 -13.204 194 3HB ALA 75 3HB ALA 75 5.788 14.163 -11.606 195 H PHE 76 H PHE 76 3.541 10.076 -11.632 196 HA PHE 76 HA PHE 76 2.647 10.255 -14.491 197 1HB PHE 76 1HB PHE 76 3.759 8.082 -12.725 198 2HB PHE 76 2HB PHE 76 2.823 7.663 -14.159 199 HD1 PHE 76 HD1 PHE 76 5.531 10.120 -13.245 200 HD2 PHE 76 HD2 PHE 76 4.058 7.241 -16.073 201 HE1 PHE 76 HE1 PHE 76 7.527 10.494 -14.663 202 HE2 PHE 76 HE2 PHE 76 6.060 7.613 -17.489 203 HZ PHE 76 HZ PHE 76 7.794 9.237 -16.781 204 H GLU 77 H GLU 77 0.732 8.709 -14.917 205 HA GLU 77 HA GLU 77 -1.093 8.350 -12.601 206 1HB GLU 77 1HB GLU 77 -1.137 10.675 -14.018 207 2HB GLU 77 2HB GLU 77 -2.267 9.707 -14.966 208 1HG GLU 77 1HG GLU 77 -3.751 9.445 -13.177 209 2HG GLU 77 2HG GLU 77 -2.507 9.772 -11.970 210 H GLY 78 H GLY 78 -3.193 7.266 -13.438 211 1HA GLY 78 1HA GLY 78 -4.278 5.889 -15.138 212 2HA GLY 78 2HA GLY 78 -2.696 5.611 -15.868 213 H ARG 79 H ARG 79 -4.825 3.737 -14.728 214 HA ARG 79 HA ARG 79 -3.887 2.493 -12.335 215 1HB ARG 79 1HB ARG 79 -6.089 2.141 -13.444 216 2HB ARG 79 2HB ARG 79 -5.273 1.285 -14.754 217 1HG ARG 79 1HG ARG 79 -4.548 -0.465 -13.274 218 2HG ARG 79 2HG ARG 79 -5.057 0.447 -11.852 219 1HD ARG 79 1HD ARG 79 -7.420 0.301 -12.612 220 2HD ARG 79 2HD ARG 79 -6.894 -0.670 -14.001 221 HE ARG 79 HE ARG 79 -6.442 -2.481 -12.530 222 1HH1 ARG 79 1HH1 ARG 79 -6.695 0.472 -10.701 223 2HH1 ARG 79 2HH1 ARG 79 -6.956 -0.351 -9.202 224 1HH2 ARG 79 1HH2 ARG 79 -6.920 -3.520 -10.589 225 2HH2 ARG 79 2HH2 ARG 79 -7.081 -2.589 -9.137 226 H ASN 80 H ASN 80 -3.004 2.003 -15.743 227 HA ASN 80 HA ASN 80 -0.980 -0.039 -14.942 228 1HB ASN 80 1HB ASN 80 -2.276 0.831 -17.533 229 2HB ASN 80 2HB ASN 80 -0.904 -0.277 -17.503 230 1HD2 ASN 80 2HD2 ASN 80 -1.304 -2.461 -16.910 231 2HD2 ASN 80 1HD2 ASN 80 -2.836 -3.046 -16.472 232 H CYS 81 H CYS 81 -0.768 2.998 -14.578 233 HA CYS 81 HA CYS 81 0.868 4.679 -14.850 234 1HB CYS 81 1HB CYS 81 2.546 2.248 -15.562 235 2HB CYS 81 2HB CYS 81 3.155 3.794 -14.982 236 H GLU 82 H GLU 82 -0.728 4.674 -17.036 237 HA GLU 82 HA GLU 82 1.137 4.697 -19.387 238 1HB GLU 82 1HB GLU 82 -0.946 4.336 -20.703 239 2HB GLU 82 2HB GLU 82 -0.693 3.062 -19.512 240 1HG GLU 82 1HG GLU 82 -2.341 3.969 -18.044 241 2HG GLU 82 2HG GLU 82 -2.403 5.490 -18.935 242 H THR 83 H THR 83 0.339 6.877 -17.275 243 HA THR 83 HA THR 83 -0.213 9.000 -19.308 244 HB THR 83 HB THR 83 -1.543 8.699 -16.596 245 HG1 THR 83 HG1 THR 83 -2.925 7.528 -17.618 246 1HG2 THR 83 1HG2 THR 83 -1.845 10.686 -18.856 247 2HG2 THR 83 2HG2 THR 83 -3.037 10.506 -17.569 248 3HG2 THR 83 3HG2 THR 83 -1.394 11.019 -17.184 249 H HIS 84 H HIS 84 0.867 10.949 -18.869 250 HA HIS 84 HA HIS 84 2.681 10.944 -16.477 251 1HB HIS 84 1HB HIS 84 3.497 10.757 -18.968 252 2HB HIS 84 2HB HIS 84 3.149 12.486 -19.021 253 HD1 HIS 84 HD1 HIS 84 6.067 11.113 -19.067 254 HD2 HIS 84 HD2 HIS 84 4.250 12.964 -15.803 255 HE1 HIS 84 HE1 HIS 84 7.937 11.815 -17.509 256 H LYS 85 H LYS 85 2.361 12.615 -15.061 257 HA LYS 85 HA LYS 85 0.393 14.720 -15.705 258 1HB LYS 85 1HB LYS 85 1.966 13.862 -13.263 259 2HB LYS 85 2HB LYS 85 0.901 15.270 -13.252 260 1HG LYS 85 1HG LYS 85 -0.220 12.731 -14.340 261 2HG LYS 85 2HG LYS 85 0.024 12.819 -12.595 262 1HD LYS 85 1HD LYS 85 -1.286 15.135 -13.966 263 2HD LYS 85 2HD LYS 85 -2.237 13.677 -13.686 264 1HE LYS 85 1HE LYS 85 -1.492 13.780 -11.254 265 2HE LYS 85 2HE LYS 85 -0.847 15.396 -11.610 266 1HZ LYS 85 1HZ LYS 85 -3.624 14.541 -12.228 267 2HZ LYS 85 2HZ LYS 85 -3.194 15.414 -10.836 268 3HZ LYS 85 3HZ LYS 85 -2.979 16.106 -12.370 269 H ASP 86 H ASP 86 1.210 16.428 -16.876 270 HA ASP 86 HA ASP 86 4.014 17.280 -16.619 271 1HB ASP 86 1HB ASP 86 1.590 18.037 -18.243 272 2HB ASP 86 2HB ASP 86 3.033 19.050 -18.276 273 H ASP 87 H ASP 87 0.859 18.952 -16.243 274 HA ASP 87 HA ASP 87 1.784 20.306 -13.799 275 1HB ASP 87 1HB ASP 87 2.762 21.485 -15.855 276 2HB ASP 87 2HB ASP 87 1.106 21.942 -16.254 277 H GLY 88 H GLY 88 -0.598 20.849 -16.428 278 1HA GLY 88 1HA GLY 88 -2.791 20.369 -14.479 279 2HA GLY 88 2HA GLY 88 -2.764 21.912 -15.335 280 H SER 89 H SER 89 -2.857 21.823 -17.723 281 HA SER 89 HA SER 89 -4.219 19.341 -18.724 282 1HB SER 89 1HB SER 89 -4.789 22.262 -19.316 283 2HB SER 89 2HB SER 89 -5.647 20.898 -20.028 284 HG SER 89 HG SER 89 -6.826 20.890 -18.299 285 H ALA 90 H ALA 90 -2.516 18.473 -19.933 286 HA ALA 90 HA ALA 90 -0.926 18.281 -21.672 287 1HB ALA 90 1HB ALA 90 -3.265 19.228 -22.643 288 2HB ALA 90 2HB ALA 90 -2.205 20.564 -23.093 289 3HB ALA 90 3HB ALA 90 -1.862 18.935 -23.671 Start of MODEL 12 1 1H SER 45 1H SER 45 -1.124 -21.145 -7.032 2 2H SER 45 2H SER 45 -0.876 -22.207 -8.335 3 3H SER 45 3H SER 45 0.455 -21.520 -7.538 4 HA SER 45 HA SER 45 -0.058 -19.347 -8.366 5 1HB SER 45 1HB SER 45 1.177 -21.061 -9.734 6 2HB SER 45 2HB SER 45 -0.347 -21.466 -10.520 7 HG SER 45 HG SER 45 -0.373 -19.534 -11.490 8 H ASP 46 H ASP 46 -1.559 -17.930 -9.370 9 HA ASP 46 HA ASP 46 -4.077 -18.871 -10.508 10 1HB ASP 46 1HB ASP 46 -4.335 -19.245 -8.044 11 2HB ASP 46 2HB ASP 46 -4.079 -17.518 -7.791 12 H GLY 47 H GLY 47 -4.679 -17.305 -11.949 13 1HA GLY 47 1HA GLY 47 -5.084 -15.143 -12.817 14 2HA GLY 47 2HA GLY 47 -4.487 -14.462 -11.302 15 H ASP 48 H ASP 48 -3.838 -14.028 -14.301 16 HA ASP 48 HA ASP 48 -0.865 -14.037 -13.933 17 1HB ASP 48 1HB ASP 48 -1.629 -15.955 -15.318 18 2HB ASP 48 2HB ASP 48 -2.427 -14.829 -16.415 19 H GLN 49 H GLN 49 -2.334 -11.768 -13.413 20 HA GLN 49 HA GLN 49 -2.840 -10.080 -15.702 21 1HB GLN 49 1HB GLN 49 -2.233 -9.487 -12.785 22 2HB GLN 49 2HB GLN 49 -2.874 -8.311 -13.933 23 1HG GLN 49 1HG GLN 49 -4.227 -10.936 -13.249 24 2HG GLN 49 2HG GLN 49 -4.654 -9.381 -12.534 25 1HE2 GLN 49 2HE2 GLN 49 -5.494 -11.465 -15.032 26 2HE2 GLN 49 1HE2 GLN 49 -6.239 -10.346 -16.069 27 H CYS 50 H CYS 50 -0.033 -10.529 -13.560 28 HA CYS 50 HA CYS 50 1.545 -8.505 -15.044 29 1HB CYS 50 1HB CYS 50 1.495 -8.819 -12.522 30 2HB CYS 50 2HB CYS 50 2.342 -10.346 -12.772 31 H ALA 51 H ALA 51 0.833 -10.648 -16.713 32 HA ALA 51 HA ALA 51 3.004 -12.634 -16.757 33 1HB ALA 51 1HB ALA 51 0.384 -12.580 -17.513 34 2HB ALA 51 2HB ALA 51 1.173 -12.288 -19.063 35 3HB ALA 51 3HB ALA 51 1.554 -13.742 -18.141 36 H SER 52 H SER 52 2.198 -9.602 -18.356 37 HA SER 52 HA SER 52 4.729 -9.836 -19.954 38 1HB SER 52 1HB SER 52 2.287 -10.011 -21.020 39 2HB SER 52 2HB SER 52 2.385 -8.254 -20.930 40 HG SER 52 HG SER 52 3.425 -9.803 -22.754 41 H SER 53 H SER 53 3.991 -8.465 -17.308 42 HA SER 53 HA SER 53 4.306 -6.383 -16.239 43 1HB SER 53 1HB SER 53 6.424 -5.432 -16.844 44 2HB SER 53 2HB SER 53 6.545 -7.160 -17.154 45 HG SER 53 HG SER 53 6.730 -6.760 -19.212 46 HA PRO 54 HA PRO 54 1.856 -4.020 -19.415 47 1HB PRO 54 1HB PRO 54 -0.310 -3.516 -17.822 48 2HB PRO 54 2HB PRO 54 -0.155 -4.980 -18.814 49 1HG PRO 54 1HG PRO 54 0.311 -4.612 -15.900 50 2HG PRO 54 2HG PRO 54 -0.418 -5.973 -16.764 51 1HD PRO 54 1HD PRO 54 2.146 -5.976 -15.831 52 2HD PRO 54 2HD PRO 54 1.604 -6.933 -17.226 53 H CYS 55 H CYS 55 3.239 -3.435 -16.344 54 HA CYS 55 HA CYS 55 2.355 -0.730 -15.858 55 1HB CYS 55 1HB CYS 55 4.905 -2.187 -15.075 56 2HB CYS 55 2HB CYS 55 4.288 -0.725 -14.312 57 H GLN 56 H GLN 56 2.818 0.991 -17.168 58 HA GLN 56 HA GLN 56 5.069 0.869 -19.080 59 1HB GLN 56 1HB GLN 56 2.591 2.434 -18.604 60 2HB GLN 56 2HB GLN 56 3.908 3.309 -19.386 61 1HG GLN 56 1HG GLN 56 2.526 2.278 -21.101 62 2HG GLN 56 2HG GLN 56 4.084 1.451 -21.054 63 1HE2 GLN 56 2HE2 GLN 56 0.642 1.072 -20.484 64 2HE2 GLN 56 1HE2 GLN 56 0.693 -0.582 -20.106 65 H ASN 57 H ASN 57 5.954 3.403 -19.273 66 HA ASN 57 HA ASN 57 7.529 4.904 -18.372 67 1HB ASN 57 1HB ASN 57 5.516 4.539 -16.141 68 2HB ASN 57 2HB ASN 57 6.783 5.764 -16.095 69 1HD2 ASN 57 2HD2 ASN 57 3.587 5.297 -17.019 70 2HD2 ASN 57 1HD2 ASN 57 3.454 6.553 -18.153 71 H GLY 58 H GLY 58 7.884 1.881 -17.868 72 1HA GLY 58 1HA GLY 58 9.477 0.542 -16.788 73 2HA GLY 58 2HA GLY 58 10.321 2.038 -16.392 74 H GLY 59 H GLY 59 7.064 0.984 -15.420 75 1HA GLY 59 1HA GLY 59 7.755 1.591 -12.612 76 2HA GLY 59 2HA GLY 59 6.142 1.227 -13.223 77 H SER 60 H SER 60 6.924 -0.047 -10.933 78 HA SER 60 HA SER 60 8.023 -2.709 -11.622 79 1HB SER 60 1HB SER 60 7.701 -1.000 -9.298 80 2HB SER 60 2HB SER 60 7.096 -2.618 -8.955 81 HG SER 60 HG SER 60 9.596 -1.816 -9.042 82 H CYS 61 H CYS 61 6.765 -4.547 -11.826 83 HA CYS 61 HA CYS 61 3.806 -4.196 -11.713 84 1HB CYS 61 1HB CYS 61 4.946 -4.942 -13.798 85 2HB CYS 61 2HB CYS 61 5.564 -6.349 -12.934 86 H LYS 62 H LYS 62 2.717 -5.074 -10.021 87 HA LYS 62 HA LYS 62 3.961 -7.376 -8.545 88 1HB LYS 62 1HB LYS 62 2.978 -4.729 -7.722 89 2HB LYS 62 2HB LYS 62 2.292 -6.044 -6.768 90 1HG LYS 62 1HG LYS 62 5.228 -6.114 -7.310 91 2HG LYS 62 2HG LYS 62 4.640 -4.940 -6.131 92 1HD LYS 62 1HD LYS 62 3.439 -6.789 -4.953 93 2HD LYS 62 2HD LYS 62 4.174 -7.935 -6.077 94 1HE LYS 62 1HE LYS 62 6.254 -7.761 -5.102 95 2HE LYS 62 2HE LYS 62 6.027 -6.050 -4.688 96 1HZ LYS 62 1HZ LYS 62 4.399 -6.706 -3.022 97 2HZ LYS 62 2HZ LYS 62 4.641 -8.345 -3.401 98 3HZ LYS 62 3HZ LYS 62 5.897 -7.436 -2.706 99 H ASP 63 H ASP 63 2.496 -9.020 -7.901 100 HA ASP 63 HA ASP 63 -0.071 -9.066 -9.383 101 1HB ASP 63 1HB ASP 63 -0.003 -11.464 -8.746 102 2HB ASP 63 2HB ASP 63 1.506 -10.956 -9.502 103 H GLN 64 H GLN 64 -1.993 -8.652 -8.386 104 HA GLN 64 HA GLN 64 -2.074 -8.672 -5.387 105 1HB GLN 64 1HB GLN 64 -3.342 -6.988 -7.541 106 2HB GLN 64 2HB GLN 64 -4.069 -7.071 -5.936 107 1HG GLN 64 1HG GLN 64 -1.173 -6.346 -6.457 108 2HG GLN 64 2HG GLN 64 -2.459 -5.167 -6.196 109 1HE2 GLN 64 2HE2 GLN 64 -0.136 -7.082 -4.587 110 2HE2 GLN 64 1HE2 GLN 64 -0.752 -6.928 -3.013 111 H LEU 65 H LEU 65 -2.474 -11.091 -6.784 112 HA LEU 65 HA LEU 65 -3.981 -12.884 -6.954 113 1HB LEU 65 1HB LEU 65 -4.789 -11.160 -4.723 114 2HB LEU 65 2HB LEU 65 -6.130 -12.108 -5.360 115 HG LEU 65 HG LEU 65 -4.959 -13.335 -3.571 116 1HD1 LEU 65 1HD1 LEU 65 -5.820 -14.376 -5.880 117 2HD1 LEU 65 2HD1 LEU 65 -4.114 -14.796 -6.032 118 3HD1 LEU 65 3HD1 LEU 65 -5.043 -15.370 -4.647 119 1HD2 LEU 65 1HD2 LEU 65 -2.693 -12.167 -4.416 120 2HD2 LEU 65 2HD2 LEU 65 -2.682 -13.690 -3.524 121 3HD2 LEU 65 3HD2 LEU 65 -2.540 -13.696 -5.282 122 H GLN 66 H GLN 66 -6.583 -10.508 -6.467 123 HA GLN 66 HA GLN 66 -8.133 -11.404 -8.678 124 1HB GLN 66 1HB GLN 66 -8.447 -9.742 -6.535 125 2HB GLN 66 2HB GLN 66 -8.380 -8.568 -7.849 126 1HG GLN 66 1HG GLN 66 -10.695 -9.222 -7.529 127 2HG GLN 66 2HG GLN 66 -10.130 -9.906 -9.053 128 1HE2 GLN 66 2HE2 GLN 66 -11.302 -11.864 -9.152 129 2HE2 GLN 66 1HE2 GLN 66 -11.254 -13.058 -7.946 130 H SER 67 H SER 67 -6.519 -8.210 -8.469 131 HA SER 67 HA SER 67 -6.099 -8.333 -11.437 132 1HB SER 67 1HB SER 67 -6.392 -5.896 -9.658 133 2HB SER 67 2HB SER 67 -6.482 -5.951 -11.416 134 HG SER 67 HG SER 67 -8.561 -5.996 -10.780 135 H TYR 68 H TYR 68 -4.434 -5.947 -11.396 136 HA TYR 68 HA TYR 68 -1.996 -6.998 -9.998 137 1HB TYR 68 1HB TYR 68 -0.752 -6.175 -11.987 138 2HB TYR 68 2HB TYR 68 -1.958 -7.380 -12.428 139 HD1 TYR 68 HD1 TYR 68 -4.025 -6.728 -13.604 140 HD2 TYR 68 HD2 TYR 68 -1.016 -3.833 -12.598 141 HE1 TYR 68 HE1 TYR 68 -5.066 -5.105 -15.161 142 HE2 TYR 68 HE2 TYR 68 -2.057 -2.210 -14.155 143 HH TYR 68 HH TYR 68 -4.092 -2.979 -16.520 144 H ILE 69 H ILE 69 -0.283 -5.150 -9.882 145 HA ILE 69 HA ILE 69 -1.523 -2.473 -9.475 146 HB ILE 69 HB ILE 69 -1.687 -3.741 -7.362 147 1HG1 ILE 69 1HG1 ILE 69 0.580 -1.898 -6.794 148 2HG1 ILE 69 2HG1 ILE 69 -0.809 -1.209 -7.635 149 1HG2 ILE 69 1HG2 ILE 69 0.478 -5.094 -8.041 150 2HG2 ILE 69 2HG2 ILE 69 1.304 -3.813 -7.154 151 3HG2 ILE 69 3HG2 ILE 69 0.104 -4.817 -6.341 152 1HD1 ILE 69 1HD1 ILE 69 -2.089 -2.638 -5.718 153 2HD1 ILE 69 2HD1 ILE 69 -0.600 -2.237 -4.860 154 3HD1 ILE 69 3HD1 ILE 69 -1.616 -0.951 -5.510 155 H CYS 70 H CYS 70 -0.239 -1.157 -10.698 156 HA CYS 70 HA CYS 70 2.590 -1.855 -11.197 157 1HB CYS 70 1HB CYS 70 0.615 0.197 -12.208 158 2HB CYS 70 2HB CYS 70 2.319 0.261 -12.658 159 H PHE 71 H PHE 71 4.291 -0.839 -10.220 160 HA PHE 71 HA PHE 71 3.711 1.367 -8.288 161 1HB PHE 71 1HB PHE 71 5.839 -0.745 -8.630 162 2HB PHE 71 2HB PHE 71 6.136 0.659 -7.605 163 HD1 PHE 71 HD1 PHE 71 4.588 1.138 -5.674 164 HD2 PHE 71 HD2 PHE 71 4.413 -2.521 -7.918 165 HE1 PHE 71 HE1 PHE 71 3.289 0.078 -3.846 166 HE2 PHE 71 HE2 PHE 71 3.115 -3.581 -6.091 167 HZ PHE 71 HZ PHE 71 2.553 -2.281 -4.054 168 H CYS 72 H CYS 72 3.558 2.756 -10.336 169 HA CYS 72 HA CYS 72 6.097 3.316 -11.729 170 1HB CYS 72 1HB CYS 72 3.276 4.417 -11.880 171 2HB CYS 72 2HB CYS 72 4.574 4.885 -12.979 172 H LEU 73 H LEU 73 6.240 5.904 -12.127 173 HA LEU 73 HA LEU 73 7.287 7.068 -9.745 174 1HB LEU 73 1HB LEU 73 6.678 7.811 -12.536 175 2HB LEU 73 2HB LEU 73 6.716 9.177 -11.421 176 HG LEU 73 HG LEU 73 8.951 8.386 -10.620 177 1HD1 LEU 73 1HD1 LEU 73 8.675 6.453 -12.944 178 2HD1 LEU 73 2HD1 LEU 73 10.130 6.689 -11.976 179 3HD1 LEU 73 3HD1 LEU 73 8.682 6.008 -11.237 180 1HD2 LEU 73 1HD2 LEU 73 8.751 10.114 -12.386 181 2HD2 LEU 73 2HD2 LEU 73 10.184 9.112 -12.624 182 3HD2 LEU 73 3HD2 LEU 73 8.747 8.847 -13.612 183 HA PRO 74 HA PRO 74 3.717 8.616 -7.684 184 1HB PRO 74 1HB PRO 74 4.629 10.993 -6.663 185 2HB PRO 74 2HB PRO 74 5.076 9.408 -5.998 186 1HG PRO 74 1HG PRO 74 6.597 11.170 -7.866 187 2HG PRO 74 2HG PRO 74 7.174 10.247 -6.469 188 1HD PRO 74 1HD PRO 74 7.521 9.381 -8.996 189 2HD PRO 74 2HD PRO 74 7.249 8.260 -7.642 190 H ALA 75 H ALA 75 5.156 10.383 -10.290 191 HA ALA 75 HA ALA 75 2.900 12.324 -10.406 192 1HB ALA 75 1HB ALA 75 5.338 12.973 -10.620 193 2HB ALA 75 2HB ALA 75 5.377 12.070 -12.134 194 3HB ALA 75 3HB ALA 75 4.332 13.481 -11.976 195 H PHE 76 H PHE 76 2.911 9.264 -11.174 196 HA PHE 76 HA PHE 76 1.810 9.656 -13.941 197 1HB PHE 76 1HB PHE 76 3.397 7.421 -12.658 198 2HB PHE 76 2HB PHE 76 2.564 7.226 -14.201 199 HD1 PHE 76 HD1 PHE 76 4.945 9.546 -12.459 200 HD2 PHE 76 HD2 PHE 76 3.673 7.807 -16.175 201 HE1 PHE 76 HE1 PHE 76 6.841 10.641 -13.618 202 HE2 PHE 76 HE2 PHE 76 5.576 8.901 -17.334 203 HZ PHE 76 HZ PHE 76 7.160 10.315 -16.052 204 H GLU 77 H GLU 77 -0.109 8.462 -14.429 205 HA GLU 77 HA GLU 77 -1.401 6.963 -12.195 206 1HB GLU 77 1HB GLU 77 -1.901 9.595 -12.606 207 2HB GLU 77 2HB GLU 77 -3.080 8.891 -13.713 208 1HG GLU 77 1HG GLU 77 -4.361 8.824 -11.810 209 2HG GLU 77 2HG GLU 77 -3.497 7.304 -11.573 210 H GLY 78 H GLY 78 -3.549 5.988 -13.076 211 1HA GLY 78 1HA GLY 78 -4.770 5.293 -15.139 212 2HA GLY 78 2HA GLY 78 -3.201 5.191 -15.940 213 H ARG 79 H ARG 79 -5.098 3.021 -15.729 214 HA ARG 79 HA ARG 79 -4.550 1.156 -13.647 215 1HB ARG 79 1HB ARG 79 -6.186 1.293 -15.801 216 2HB ARG 79 2HB ARG 79 -4.982 0.162 -16.421 217 1HG ARG 79 1HG ARG 79 -5.282 -1.045 -14.128 218 2HG ARG 79 2HG ARG 79 -6.789 -0.134 -14.030 219 1HD ARG 79 1HD ARG 79 -6.474 -1.362 -16.664 220 2HD ARG 79 2HD ARG 79 -6.436 -2.568 -15.366 221 HE ARG 79 HE ARG 79 -8.632 -1.882 -14.680 222 1HH1 ARG 79 1HH1 ARG 79 -7.369 0.321 -17.070 223 2HH1 ARG 79 2HH1 ARG 79 -8.938 0.862 -17.551 224 1HH2 ARG 79 1HH2 ARG 79 -10.658 -1.252 -15.426 225 2HH2 ARG 79 2HH2 ARG 79 -10.781 -0.015 -16.632 226 H ASN 80 H ASN 80 -2.967 1.612 -16.812 227 HA ASN 80 HA ASN 80 -0.742 -0.181 -15.899 228 1HB ASN 80 1HB ASN 80 -1.893 0.541 -18.606 229 2HB ASN 80 2HB ASN 80 -0.362 -0.316 -18.428 230 1HD2 ASN 80 2HD2 ASN 80 -3.203 -1.178 -19.402 231 2HD2 ASN 80 1HD2 ASN 80 -3.488 -2.612 -18.539 232 H CYS 81 H CYS 81 -1.047 2.687 -15.244 233 HA CYS 81 HA CYS 81 0.237 4.663 -15.224 234 1HB CYS 81 1HB CYS 81 2.279 2.653 -16.220 235 2HB CYS 81 2HB CYS 81 2.668 4.251 -15.592 236 H GLU 82 H GLU 82 -1.380 4.487 -17.475 237 HA GLU 82 HA GLU 82 0.373 5.279 -19.766 238 1HB GLU 82 1HB GLU 82 -1.688 4.837 -21.092 239 2HB GLU 82 2HB GLU 82 -1.217 3.439 -20.128 240 1HG GLU 82 1HG GLU 82 -2.933 3.815 -18.535 241 2HG GLU 82 2HG GLU 82 -3.205 5.466 -19.095 242 H THR 83 H THR 83 -0.590 6.957 -17.316 243 HA THR 83 HA THR 83 -1.501 9.290 -18.939 244 HB THR 83 HB THR 83 -2.745 8.296 -16.354 245 HG1 THR 83 HG1 THR 83 -4.447 7.705 -17.646 246 1HG2 THR 83 1HG2 THR 83 -2.697 10.809 -16.800 247 2HG2 THR 83 2HG2 THR 83 -3.726 10.484 -18.195 248 3HG2 THR 83 3HG2 THR 83 -4.295 10.099 -16.569 249 H HIS 84 H HIS 84 -0.063 10.910 -18.507 250 HA HIS 84 HA HIS 84 1.628 10.839 -16.099 251 1HB HIS 84 1HB HIS 84 2.238 11.456 -18.540 252 2HB HIS 84 2HB HIS 84 1.463 13.004 -18.200 253 HD1 HIS 84 HD1 HIS 84 4.667 12.215 -18.558 254 HD2 HIS 84 HD2 HIS 84 2.652 13.375 -15.098 255 HE1 HIS 84 HE1 HIS 84 6.422 13.132 -16.980 256 H LYS 85 H LYS 85 1.137 11.936 -14.245 257 HA LYS 85 HA LYS 85 -1.288 13.504 -13.979 258 1HB LYS 85 1HB LYS 85 1.139 13.004 -12.231 259 2HB LYS 85 2HB LYS 85 -0.278 13.897 -11.677 260 1HG LYS 85 1HG LYS 85 -0.790 11.263 -12.961 261 2HG LYS 85 2HG LYS 85 -0.039 11.230 -11.365 262 1HD LYS 85 1HD LYS 85 -2.221 11.338 -10.672 263 2HD LYS 85 2HD LYS 85 -1.961 13.068 -10.904 264 1HE LYS 85 1HE LYS 85 -3.005 13.030 -13.066 265 2HE LYS 85 2HE LYS 85 -3.009 11.255 -13.101 266 1HZ LYS 85 1HZ LYS 85 -4.412 11.257 -11.128 267 2HZ LYS 85 2HZ LYS 85 -4.429 12.953 -11.116 268 3HZ LYS 85 3HZ LYS 85 -5.164 12.107 -12.393 269 H ASP 86 H ASP 86 -1.451 15.779 -13.602 270 HA ASP 86 HA ASP 86 0.931 17.495 -13.814 271 1HB ASP 86 1HB ASP 86 0.099 18.573 -15.901 272 2HB ASP 86 2HB ASP 86 0.476 16.869 -16.147 273 H ASP 87 H ASP 87 -0.711 17.424 -11.661 274 HA ASP 87 HA ASP 87 -2.932 19.334 -11.891 275 1HB ASP 87 1HB ASP 87 -1.564 17.806 -9.667 276 2HB ASP 87 2HB ASP 87 -2.868 18.948 -9.345 277 H GLY 88 H GLY 88 -0.003 19.308 -9.821 278 1HA GLY 88 1HA GLY 88 1.584 21.108 -9.614 279 2HA GLY 88 2HA GLY 88 0.452 22.169 -10.454 280 H SER 89 H SER 89 -0.283 23.723 -9.107 281 HA SER 89 HA SER 89 -0.937 22.962 -6.276 282 1HB SER 89 1HB SER 89 1.138 24.482 -6.963 283 2HB SER 89 2HB SER 89 -0.100 25.730 -7.066 284 HG SER 89 HG SER 89 1.073 24.731 -4.903 285 H ALA 90 H ALA 90 -2.591 24.488 -5.309 286 HA ALA 90 HA ALA 90 -4.764 25.413 -5.366 287 1HB ALA 90 1HB ALA 90 -3.233 26.655 -7.639 288 2HB ALA 90 2HB ALA 90 -4.930 27.075 -7.402 289 3HB ALA 90 3HB ALA 90 -3.757 27.389 -6.122 Start of MODEL 13 1 1H SER 45 1H SER 45 1.651 -21.023 -11.800 2 2H SER 45 2H SER 45 1.159 -20.822 -13.411 3 3H SER 45 3H SER 45 2.730 -20.376 -12.943 4 HA SER 45 HA SER 45 1.945 -18.545 -11.671 5 1HB SER 45 1HB SER 45 0.331 -18.675 -14.226 6 2HB SER 45 2HB SER 45 1.094 -17.262 -13.504 7 HG SER 45 HG SER 45 3.121 -18.390 -13.853 8 H ASP 46 H ASP 46 -0.428 -17.163 -11.948 9 HA ASP 46 HA ASP 46 -2.673 -18.925 -11.152 10 1HB ASP 46 1HB ASP 46 -2.896 -17.724 -8.979 11 2HB ASP 46 2HB ASP 46 -1.366 -18.590 -9.097 12 H GLY 47 H GLY 47 -2.593 -17.391 -13.438 13 1HA GLY 47 1HA GLY 47 -4.717 -16.086 -14.035 14 2HA GLY 47 2HA GLY 47 -4.212 -14.966 -12.769 15 H ASP 48 H ASP 48 -4.577 -14.121 -15.434 16 HA ASP 48 HA ASP 48 -1.785 -13.757 -16.458 17 1HB ASP 48 1HB ASP 48 -3.501 -14.790 -17.936 18 2HB ASP 48 2HB ASP 48 -4.492 -13.341 -17.771 19 H GLN 49 H GLN 49 -2.369 -12.203 -14.241 20 HA GLN 49 HA GLN 49 -3.401 -9.576 -15.107 21 1HB GLN 49 1HB GLN 49 -2.240 -10.669 -12.524 22 2HB GLN 49 2HB GLN 49 -2.919 -9.050 -12.696 23 1HG GLN 49 1HG GLN 49 -4.800 -10.170 -11.960 24 2HG GLN 49 2HG GLN 49 -4.980 -10.412 -13.698 25 1HE2 GLN 49 2HE2 GLN 49 -3.310 -12.007 -10.914 26 2HE2 GLN 49 1HE2 GLN 49 -3.639 -13.586 -11.439 27 H CYS 50 H CYS 50 -0.334 -10.820 -13.723 28 HA CYS 50 HA CYS 50 1.085 -8.479 -14.949 29 1HB CYS 50 1HB CYS 50 1.051 -8.745 -12.451 30 2HB CYS 50 2HB CYS 50 1.882 -10.290 -12.646 31 H ALA 51 H ALA 51 0.567 -10.552 -16.702 32 HA ALA 51 HA ALA 51 2.857 -12.424 -16.719 33 1HB ALA 51 1HB ALA 51 0.256 -12.618 -17.434 34 2HB ALA 51 2HB ALA 51 0.954 -12.182 -18.994 35 3HB ALA 51 3HB ALA 51 1.515 -13.625 -18.149 36 H SER 52 H SER 52 1.488 -9.974 -18.962 37 HA SER 52 HA SER 52 4.075 -9.876 -20.423 38 1HB SER 52 1HB SER 52 1.249 -8.932 -20.869 39 2HB SER 52 2HB SER 52 2.562 -8.320 -21.870 40 HG SER 52 HG SER 52 2.930 -10.330 -22.628 41 H SER 53 H SER 53 3.597 -8.658 -17.656 42 HA SER 53 HA SER 53 4.022 -6.645 -16.500 43 1HB SER 53 1HB SER 53 6.079 -5.656 -17.245 44 2HB SER 53 2HB SER 53 6.162 -7.365 -17.656 45 HG SER 53 HG SER 53 6.381 -5.280 -19.262 46 HA PRO 54 HA PRO 54 1.293 -4.088 -19.260 47 1HB PRO 54 1HB PRO 54 -0.664 -3.626 -17.404 48 2HB PRO 54 2HB PRO 54 -0.656 -5.046 -18.469 49 1HG PRO 54 1HG PRO 54 0.157 -4.816 -15.617 50 2HG PRO 54 2HG PRO 54 -0.699 -6.125 -16.445 51 1HD PRO 54 1HD PRO 54 1.956 -6.215 -15.824 52 2HD PRO 54 2HD PRO 54 1.235 -7.095 -17.189 53 H CYS 55 H CYS 55 2.553 -3.726 -16.005 54 HA CYS 55 HA CYS 55 2.009 -0.971 -15.517 55 1HB CYS 55 1HB CYS 55 4.406 -2.680 -14.761 56 2HB CYS 55 2HB CYS 55 3.937 -1.178 -13.967 57 H GLN 56 H GLN 56 2.797 0.848 -16.511 58 HA GLN 56 HA GLN 56 5.191 0.558 -18.299 59 1HB GLN 56 1HB GLN 56 2.645 1.217 -18.948 60 2HB GLN 56 2HB GLN 56 3.281 2.820 -18.580 61 1HG GLN 56 1HG GLN 56 3.951 2.736 -20.768 62 2HG GLN 56 2HG GLN 56 5.319 1.863 -20.077 63 1HE2 GLN 56 2HE2 GLN 56 1.951 1.105 -21.163 64 2HE2 GLN 56 1HE2 GLN 56 2.373 -0.353 -21.922 65 H ASN 57 H ASN 57 5.681 3.266 -18.704 66 HA ASN 57 HA ASN 57 6.917 5.049 -17.779 67 1HB ASN 57 1HB ASN 57 4.685 4.482 -15.836 68 2HB ASN 57 2HB ASN 57 5.836 5.781 -15.517 69 1HD2 ASN 57 2HD2 ASN 57 2.972 6.139 -16.162 70 2HD2 ASN 57 1HD2 ASN 57 2.912 7.033 -17.603 71 H GLY 58 H GLY 58 7.882 2.289 -17.214 72 1HA GLY 58 1HA GLY 58 9.573 1.286 -15.935 73 2HA GLY 58 2HA GLY 58 9.964 2.907 -15.360 74 H GLY 59 H GLY 59 6.910 1.131 -14.963 75 1HA GLY 59 1HA GLY 59 7.137 1.561 -12.031 76 2HA GLY 59 2HA GLY 59 5.657 1.150 -12.896 77 H SER 60 H SER 60 6.638 -0.232 -10.573 78 HA SER 60 HA SER 60 7.751 -2.797 -11.552 79 1HB SER 60 1HB SER 60 8.077 -1.329 -9.290 80 2HB SER 60 2HB SER 60 6.809 -2.429 -8.757 81 HG SER 60 HG SER 60 9.215 -3.228 -10.036 82 H CYS 61 H CYS 61 6.489 -4.596 -11.912 83 HA CYS 61 HA CYS 61 3.555 -4.360 -11.439 84 1HB CYS 61 1HB CYS 61 4.485 -4.835 -13.707 85 2HB CYS 61 2HB CYS 61 5.201 -6.318 -13.076 86 H LYS 62 H LYS 62 2.764 -5.368 -9.651 87 HA LYS 62 HA LYS 62 4.179 -7.819 -8.642 88 1HB LYS 62 1HB LYS 62 3.167 -5.327 -7.383 89 2HB LYS 62 2HB LYS 62 2.866 -6.812 -6.481 90 1HG LYS 62 1HG LYS 62 5.597 -6.369 -7.626 91 2HG LYS 62 2HG LYS 62 5.141 -5.482 -6.171 92 1HD LYS 62 1HD LYS 62 4.275 -7.920 -5.448 93 2HD LYS 62 2HD LYS 62 5.561 -8.406 -6.554 94 1HE LYS 62 1HE LYS 62 7.230 -7.562 -5.199 95 2HE LYS 62 2HE LYS 62 6.202 -6.257 -4.572 96 1HZ LYS 62 1HZ LYS 62 5.833 -9.145 -3.975 97 2HZ LYS 62 2HZ LYS 62 6.560 -8.030 -2.923 98 3HZ LYS 62 3HZ LYS 62 4.921 -7.861 -3.338 99 H ASP 63 H ASP 63 2.890 -9.621 -8.389 100 HA ASP 63 HA ASP 63 0.139 -9.567 -9.369 101 1HB ASP 63 1HB ASP 63 0.303 -12.005 -8.905 102 2HB ASP 63 2HB ASP 63 1.703 -11.421 -9.801 103 H GLN 64 H GLN 64 -1.521 -8.902 -8.076 104 HA GLN 64 HA GLN 64 -1.296 -9.253 -5.117 105 1HB GLN 64 1HB GLN 64 -2.813 -7.453 -6.999 106 2HB GLN 64 2HB GLN 64 -3.336 -7.628 -5.323 107 1HG GLN 64 1HG GLN 64 -0.470 -6.986 -6.017 108 2HG GLN 64 2HG GLN 64 -1.682 -5.717 -5.845 109 1HE2 GLN 64 2HE2 GLN 64 0.674 -7.236 -4.096 110 2HE2 GLN 64 1HE2 GLN 64 0.013 -7.104 -2.539 111 H LEU 65 H LEU 65 -1.857 -11.611 -6.499 112 HA LEU 65 HA LEU 65 -3.385 -13.396 -6.569 113 1HB LEU 65 1HB LEU 65 -3.988 -11.714 -4.246 114 2HB LEU 65 2HB LEU 65 -5.396 -12.617 -4.796 115 HG LEU 65 HG LEU 65 -4.129 -13.916 -3.137 116 1HD1 LEU 65 1HD1 LEU 65 -5.176 -14.895 -5.380 117 2HD1 LEU 65 2HD1 LEU 65 -3.493 -15.308 -5.705 118 3HD1 LEU 65 3HD1 LEU 65 -4.289 -15.929 -4.260 119 1HD2 LEU 65 1HD2 LEU 65 -1.875 -13.101 -4.875 120 2HD2 LEU 65 2HD2 LEU 65 -1.894 -13.459 -3.150 121 3HD2 LEU 65 3HD2 LEU 65 -1.821 -14.774 -4.322 122 H GLN 66 H GLN 66 -5.908 -10.995 -5.838 123 HA GLN 66 HA GLN 66 -7.646 -11.830 -7.933 124 1HB GLN 66 1HB GLN 66 -8.254 -10.547 -5.886 125 2HB GLN 66 2HB GLN 66 -7.427 -9.137 -6.546 126 1HG GLN 66 1HG GLN 66 -8.948 -9.274 -8.549 127 2HG GLN 66 2HG GLN 66 -9.848 -10.537 -7.711 128 1HE2 GLN 66 2HE2 GLN 66 -11.682 -9.675 -6.740 129 2HE2 GLN 66 1HE2 GLN 66 -11.772 -8.150 -5.999 130 H SER 67 H SER 67 -5.940 -8.678 -7.797 131 HA SER 67 HA SER 67 -5.669 -8.803 -10.785 132 1HB SER 67 1HB SER 67 -7.382 -7.213 -9.866 133 2HB SER 67 2HB SER 67 -6.092 -6.389 -8.994 134 HG SER 67 HG SER 67 -6.836 -6.153 -11.565 135 H TYR 68 H TYR 68 -4.081 -6.513 -11.055 136 HA TYR 68 HA TYR 68 -1.557 -7.350 -9.666 137 1HB TYR 68 1HB TYR 68 -0.463 -6.394 -11.698 138 2HB TYR 68 2HB TYR 68 -1.588 -7.692 -12.095 139 HD1 TYR 68 HD1 TYR 68 -1.269 -3.978 -11.898 140 HD2 TYR 68 HD2 TYR 68 -3.439 -7.308 -13.527 141 HE1 TYR 68 HE1 TYR 68 -2.527 -2.435 -13.377 142 HE2 TYR 68 HE2 TYR 68 -4.697 -5.766 -15.005 143 HH TYR 68 HH TYR 68 -4.078 -3.268 -16.007 144 H ILE 69 H ILE 69 0.052 -5.410 -9.589 145 HA ILE 69 HA ILE 69 -1.321 -2.815 -9.072 146 HB ILE 69 HB ILE 69 -1.287 -4.118 -6.974 147 1HG1 ILE 69 1HG1 ILE 69 0.898 -2.135 -6.532 148 2HG1 ILE 69 2HG1 ILE 69 -0.602 -1.536 -7.243 149 1HG2 ILE 69 1HG2 ILE 69 1.058 -5.176 -7.893 150 2HG2 ILE 69 2HG2 ILE 69 1.660 -4.010 -6.717 151 3HG2 ILE 69 3HG2 ILE 69 0.528 -5.266 -6.214 152 1HD1 ILE 69 1HD1 ILE 69 -1.627 -3.068 -5.266 153 2HD1 ILE 69 2HD1 ILE 69 -0.096 -2.612 -4.519 154 3HD1 ILE 69 3HD1 ILE 69 -1.225 -1.365 -5.045 155 H CYS 70 H CYS 70 -0.185 -1.380 -10.307 156 HA CYS 70 HA CYS 70 2.648 -1.898 -10.987 157 1HB CYS 70 1HB CYS 70 0.608 0.194 -11.805 158 2HB CYS 70 2HB CYS 70 2.232 0.081 -12.482 159 H PHE 71 H PHE 71 4.339 -0.792 -10.081 160 HA PHE 71 HA PHE 71 3.721 1.320 -8.056 161 1HB PHE 71 1HB PHE 71 5.983 -0.617 -8.569 162 2HB PHE 71 2HB PHE 71 6.188 0.748 -7.471 163 HD1 PHE 71 HD1 PHE 71 4.648 0.989 -5.488 164 HD2 PHE 71 HD2 PHE 71 4.735 -2.546 -7.926 165 HE1 PHE 71 HE1 PHE 71 3.490 -0.275 -3.696 166 HE2 PHE 71 HE2 PHE 71 3.576 -3.810 -6.133 167 HZ PHE 71 HZ PHE 71 2.954 -2.674 -4.019 168 H CYS 72 H CYS 72 3.470 3.017 -9.690 169 HA CYS 72 HA CYS 72 5.913 3.689 -11.269 170 1HB CYS 72 1HB CYS 72 3.037 4.658 -11.343 171 2HB CYS 72 2HB CYS 72 4.298 5.180 -12.461 172 H LEU 73 H LEU 73 6.001 6.265 -11.522 173 HA LEU 73 HA LEU 73 6.646 7.334 -8.879 174 1HB LEU 73 1HB LEU 73 6.606 8.539 -11.669 175 2HB LEU 73 2HB LEU 73 7.355 9.288 -10.261 176 HG LEU 73 HG LEU 73 8.091 6.512 -11.146 177 1HD1 LEU 73 1HD1 LEU 73 8.438 8.671 -12.790 178 2HD1 LEU 73 2HD1 LEU 73 9.930 8.713 -11.852 179 3HD1 LEU 73 3HD1 LEU 73 9.504 7.266 -12.765 180 1HD2 LEU 73 1HD2 LEU 73 9.183 8.601 -9.287 181 2HD2 LEU 73 2HD2 LEU 73 8.949 6.876 -9.006 182 3HD2 LEU 73 3HD2 LEU 73 10.286 7.431 -10.012 183 HA PRO 74 HA PRO 74 2.904 9.532 -8.131 184 1HB PRO 74 1HB PRO 74 3.774 11.930 -7.129 185 2HB PRO 74 2HB PRO 74 3.826 10.415 -6.207 186 1HG PRO 74 1HG PRO 74 6.006 11.813 -7.674 187 2HG PRO 74 2HG PRO 74 6.053 10.971 -6.117 188 1HD PRO 74 1HD PRO 74 6.972 9.876 -8.426 189 2HD PRO 74 2HD PRO 74 6.312 8.908 -7.092 190 H ALA 75 H ALA 75 5.158 10.633 -10.476 191 HA ALA 75 HA ALA 75 3.493 12.922 -11.352 192 1HB ALA 75 1HB ALA 75 6.181 11.741 -11.974 193 2HB ALA 75 2HB ALA 75 5.438 12.836 -13.140 194 3HB ALA 75 3HB ALA 75 5.773 13.390 -11.500 195 H PHE 76 H PHE 76 3.182 9.647 -11.723 196 HA PHE 76 HA PHE 76 2.353 9.854 -14.599 197 1HB PHE 76 1HB PHE 76 3.394 7.646 -12.826 198 2HB PHE 76 2HB PHE 76 2.530 7.267 -14.314 199 HD1 PHE 76 HD1 PHE 76 3.360 9.207 -16.249 200 HD2 PHE 76 HD2 PHE 76 5.685 7.381 -13.135 201 HE1 PHE 76 HE1 PHE 76 5.429 9.617 -17.552 202 HE2 PHE 76 HE2 PHE 76 7.754 7.792 -14.437 203 HZ PHE 76 HZ PHE 76 7.626 8.910 -16.644 204 H GLU 77 H GLU 77 0.403 8.472 -15.128 205 HA GLU 77 HA GLU 77 -1.448 7.953 -12.864 206 1HB GLU 77 1HB GLU 77 -1.416 10.391 -14.136 207 2HB GLU 77 2HB GLU 77 -2.629 9.519 -15.074 208 1HG GLU 77 1HG GLU 77 -2.805 9.251 -12.118 209 2HG GLU 77 2HG GLU 77 -3.224 10.827 -12.789 210 H GLY 78 H GLY 78 -3.531 6.944 -13.758 211 1HA GLY 78 1HA GLY 78 -4.649 5.768 -15.599 212 2HA GLY 78 2HA GLY 78 -3.068 5.514 -16.338 213 H ARG 79 H ARG 79 -5.024 3.452 -15.695 214 HA ARG 79 HA ARG 79 -4.439 2.019 -13.298 215 1HB ARG 79 1HB ARG 79 -6.343 1.627 -14.857 216 2HB ARG 79 2HB ARG 79 -5.210 0.986 -16.048 217 1HG ARG 79 1HG ARG 79 -4.832 -0.955 -14.853 218 2HG ARG 79 2HG ARG 79 -5.155 -0.184 -13.298 219 1HD ARG 79 1HD ARG 79 -7.095 -1.464 -13.549 220 2HD ARG 79 2HD ARG 79 -7.613 0.046 -14.325 221 HE ARG 79 HE ARG 79 -6.244 -1.664 -16.216 222 1HH1 ARG 79 1HH1 ARG 79 -9.321 -0.881 -14.777 223 2HH1 ARG 79 2HH1 ARG 79 -10.215 -1.811 -15.928 224 1HH2 ARG 79 1HH2 ARG 79 -7.426 -2.973 -17.612 225 2HH2 ARG 79 2HH2 ARG 79 -9.156 -2.983 -17.519 226 H ASN 80 H ASN 80 -3.018 1.730 -16.566 227 HA ASN 80 HA ASN 80 -0.848 0.006 -15.446 228 1HB ASN 80 1HB ASN 80 -2.053 0.522 -18.163 229 2HB ASN 80 2HB ASN 80 -0.466 -0.234 -18.024 230 1HD2 ASN 80 2HD2 ASN 80 -3.245 -1.350 -18.822 231 2HD2 ASN 80 1HD2 ASN 80 -3.419 -2.726 -17.844 232 H CYS 81 H CYS 81 -1.070 3.011 -15.165 233 HA CYS 81 HA CYS 81 0.327 4.901 -15.326 234 1HB CYS 81 1HB CYS 81 2.303 2.653 -15.827 235 2HB CYS 81 2HB CYS 81 2.750 4.306 -15.412 236 H GLU 82 H GLU 82 -1.109 4.664 -17.610 237 HA GLU 82 HA GLU 82 0.872 4.980 -19.841 238 1HB GLU 82 1HB GLU 82 -1.067 4.368 -21.280 239 2HB GLU 82 2HB GLU 82 -0.715 3.120 -20.087 240 1HG GLU 82 1HG GLU 82 -2.546 3.788 -18.704 241 2HG GLU 82 2HG GLU 82 -2.766 5.290 -19.602 242 H THR 83 H THR 83 -0.243 7.012 -17.776 243 HA THR 83 HA THR 83 -1.012 9.073 -19.797 244 HB THR 83 HB THR 83 -2.384 8.536 -17.142 245 HG1 THR 83 HG1 THR 83 -3.499 7.191 -18.275 246 1HG2 THR 83 1HG2 THR 83 -2.286 10.932 -17.959 247 2HG2 THR 83 2HG2 THR 83 -3.198 10.409 -19.375 248 3HG2 THR 83 3HG2 THR 83 -3.913 10.279 -17.767 249 H HIS 84 H HIS 84 0.983 10.162 -19.568 250 HA HIS 84 HA HIS 84 2.258 10.691 -17.024 251 1HB HIS 84 1HB HIS 84 3.127 10.666 -19.503 252 2HB HIS 84 2HB HIS 84 2.606 12.351 -19.513 253 HD1 HIS 84 HD1 HIS 84 5.650 11.248 -19.530 254 HD2 HIS 84 HD2 HIS 84 3.606 12.874 -16.281 255 HE1 HIS 84 HE1 HIS 84 7.416 12.097 -17.925 256 H LYS 85 H LYS 85 1.820 12.316 -15.582 257 HA LYS 85 HA LYS 85 -0.306 14.284 -16.260 258 1HB LYS 85 1HB LYS 85 1.001 13.205 -13.766 259 2HB LYS 85 2HB LYS 85 0.023 14.672 -13.696 260 1HG LYS 85 1HG LYS 85 -1.018 12.158 -14.999 261 2HG LYS 85 2HG LYS 85 -1.179 12.426 -13.263 262 1HD LYS 85 1HD LYS 85 -2.066 14.812 -14.146 263 2HD LYS 85 2HD LYS 85 -2.524 13.814 -15.526 264 1HE LYS 85 1HE LYS 85 -3.166 12.827 -12.761 265 2HE LYS 85 2HE LYS 85 -4.202 14.061 -13.504 266 1HZ LYS 85 1HZ LYS 85 -3.358 11.589 -14.910 267 2HZ LYS 85 2HZ LYS 85 -4.816 11.704 -14.046 268 3HZ LYS 85 3HZ LYS 85 -4.543 12.702 -15.395 269 H ASP 86 H ASP 86 2.568 14.485 -17.237 270 HA ASP 86 HA ASP 86 4.236 16.142 -17.466 271 1HB ASP 86 1HB ASP 86 2.120 17.309 -18.126 272 2HB ASP 86 2HB ASP 86 1.953 17.871 -16.461 273 H ASP 87 H ASP 87 3.846 14.818 -14.757 274 HA ASP 87 HA ASP 87 4.872 16.979 -12.960 275 1HB ASP 87 1HB ASP 87 3.349 14.428 -12.680 276 2HB ASP 87 2HB ASP 87 4.409 14.878 -11.343 277 H GLY 88 H GLY 88 6.512 15.977 -11.280 278 1HA GLY 88 1HA GLY 88 8.167 13.770 -11.944 279 2HA GLY 88 2HA GLY 88 8.880 15.209 -12.674 280 H SER 89 H SER 89 7.233 14.617 -9.551 281 HA SER 89 HA SER 89 9.198 16.301 -8.152 282 1HB SER 89 1HB SER 89 6.646 16.084 -7.788 283 2HB SER 89 2HB SER 89 7.020 14.574 -6.962 284 HG SER 89 HG SER 89 7.186 17.065 -6.041 285 H ALA 90 H ALA 90 9.399 14.943 -5.711 286 HA ALA 90 HA ALA 90 10.797 13.380 -4.622 287 1HB ALA 90 1HB ALA 90 9.330 11.868 -6.772 288 2HB ALA 90 2HB ALA 90 10.505 11.029 -5.758 289 3HB ALA 90 3HB ALA 90 9.103 11.808 -5.023 Start of MODEL 14 1 1H SER 45 1H SER 45 2.944 -16.280 -6.827 2 2H SER 45 2H SER 45 3.718 -16.569 -8.308 3 3H SER 45 3H SER 45 4.034 -15.136 -7.450 4 HA SER 45 HA SER 45 1.885 -14.270 -7.885 5 1HB SER 45 1HB SER 45 3.685 -14.254 -9.650 6 2HB SER 45 2HB SER 45 2.943 -15.691 -10.348 7 HG SER 45 HG SER 45 2.325 -13.405 -11.076 8 H ASP 46 H ASP 46 -0.306 -14.623 -8.502 9 HA ASP 46 HA ASP 46 -1.106 -17.487 -8.913 10 1HB ASP 46 1HB ASP 46 -1.442 -16.552 -6.591 11 2HB ASP 46 2HB ASP 46 -2.545 -15.366 -7.291 12 H GLY 47 H GLY 47 -1.430 -17.184 -11.182 13 1HA GLY 47 1HA GLY 47 -3.453 -16.892 -12.639 14 2HA GLY 47 2HA GLY 47 -3.654 -15.307 -11.888 15 H ASP 48 H ASP 48 -3.492 -15.414 -14.627 16 HA ASP 48 HA ASP 48 -0.680 -14.744 -15.362 17 1HB ASP 48 1HB ASP 48 -2.023 -16.372 -16.688 18 2HB ASP 48 2HB ASP 48 -3.196 -15.099 -17.025 19 H GLN 49 H GLN 49 -1.947 -12.847 -13.689 20 HA GLN 49 HA GLN 49 -3.124 -10.705 -15.314 21 1HB GLN 49 1HB GLN 49 -2.231 -11.028 -12.440 22 2HB GLN 49 2HB GLN 49 -2.909 -9.521 -13.056 23 1HG GLN 49 1HG GLN 49 -4.797 -10.632 -12.202 24 2HG GLN 49 2HG GLN 49 -4.856 -11.018 -13.922 25 1HE2 GLN 49 2HE2 GLN 49 -6.022 -13.045 -13.411 26 2HE2 GLN 49 1HE2 GLN 49 -5.187 -14.377 -12.771 27 H CYS 50 H CYS 50 -0.057 -11.215 -13.547 28 HA CYS 50 HA CYS 50 1.122 -8.875 -14.999 29 1HB CYS 50 1HB CYS 50 1.060 -8.928 -12.491 30 2HB CYS 50 2HB CYS 50 2.062 -10.379 -12.536 31 H ALA 51 H ALA 51 0.897 -11.124 -16.582 32 HA ALA 51 HA ALA 51 3.282 -12.820 -16.394 33 1HB ALA 51 1HB ALA 51 1.023 -13.526 -17.230 34 2HB ALA 51 2HB ALA 51 1.247 -12.458 -18.616 35 3HB ALA 51 3HB ALA 51 2.315 -13.841 -18.388 36 H SER 52 H SER 52 2.085 -10.609 -18.959 37 HA SER 52 HA SER 52 4.849 -10.318 -19.992 38 1HB SER 52 1HB SER 52 2.427 -10.617 -21.167 39 2HB SER 52 2HB SER 52 2.540 -8.860 -21.165 40 HG SER 52 HG SER 52 3.480 -9.922 -23.030 41 H SER 53 H SER 53 3.665 -8.963 -17.415 42 HA SER 53 HA SER 53 3.818 -6.861 -16.352 43 1HB SER 53 1HB SER 53 6.142 -7.165 -16.692 44 2HB SER 53 2HB SER 53 6.007 -6.912 -18.430 45 HG SER 53 HG SER 53 5.996 -4.809 -18.126 46 HA PRO 54 HA PRO 54 1.380 -4.724 -19.660 47 1HB PRO 54 1HB PRO 54 -0.760 -4.094 -18.075 48 2HB PRO 54 2HB PRO 54 -0.615 -5.639 -18.936 49 1HG PRO 54 1HG PRO 54 -0.086 -5.009 -16.076 50 2HG PRO 54 2HG PRO 54 -0.833 -6.444 -16.797 51 1HD PRO 54 1HD PRO 54 1.750 -6.368 -15.928 52 2HD PRO 54 2HD PRO 54 1.183 -7.435 -17.232 53 H CYS 55 H CYS 55 2.442 -3.894 -16.439 54 HA CYS 55 HA CYS 55 1.733 -1.117 -16.355 55 1HB CYS 55 1HB CYS 55 4.149 -2.553 -15.193 56 2HB CYS 55 2HB CYS 55 3.484 -1.025 -14.625 57 H GLN 56 H GLN 56 2.942 0.738 -17.030 58 HA GLN 56 HA GLN 56 5.389 0.228 -18.673 59 1HB GLN 56 1HB GLN 56 4.416 1.723 -20.416 60 2HB GLN 56 2HB GLN 56 3.443 0.276 -20.163 61 1HG GLN 56 1HG GLN 56 1.694 1.443 -19.255 62 2HG GLN 56 2HG GLN 56 2.748 2.624 -18.478 63 1HE2 GLN 56 2HE2 GLN 56 0.512 2.322 -20.953 64 2HE2 GLN 56 1HE2 GLN 56 1.015 3.618 -21.928 65 H ASN 57 H ASN 57 6.055 2.681 -19.475 66 HA ASN 57 HA ASN 57 7.096 4.667 -18.743 67 1HB ASN 57 1HB ASN 57 4.385 4.591 -17.437 68 2HB ASN 57 2HB ASN 57 5.473 5.947 -17.139 69 1HD2 ASN 57 2HD2 ASN 57 2.950 6.133 -18.631 70 2HD2 ASN 57 1HD2 ASN 57 3.347 6.598 -20.214 71 H GLY 58 H GLY 58 8.288 2.583 -17.478 72 1HA GLY 58 1HA GLY 58 9.575 2.042 -15.596 73 2HA GLY 58 2HA GLY 58 9.359 3.720 -15.101 74 H GLY 59 H GLY 59 6.582 1.647 -15.601 75 1HA GLY 59 1HA GLY 59 5.891 1.958 -12.741 76 2HA GLY 59 2HA GLY 59 4.810 1.370 -14.006 77 H SER 60 H SER 60 5.909 0.269 -11.287 78 HA SER 60 HA SER 60 7.152 -2.271 -12.165 79 1HB SER 60 1HB SER 60 7.330 -0.633 -9.949 80 2HB SER 60 2HB SER 60 6.306 -1.940 -9.361 81 HG SER 60 HG SER 60 7.906 -3.400 -10.124 82 H CYS 61 H CYS 61 6.050 -4.215 -12.277 83 HA CYS 61 HA CYS 61 3.102 -4.141 -11.861 84 1HB CYS 61 1HB CYS 61 4.087 -4.807 -14.043 85 2HB CYS 61 2HB CYS 61 4.935 -6.128 -13.242 86 H LYS 62 H LYS 62 2.230 -5.144 -10.110 87 HA LYS 62 HA LYS 62 3.822 -7.288 -8.738 88 1HB LYS 62 1HB LYS 62 3.473 -4.816 -7.766 89 2HB LYS 62 2HB LYS 62 1.941 -5.512 -7.237 90 1HG LYS 62 1HG LYS 62 3.283 -6.064 -5.429 91 2HG LYS 62 2HG LYS 62 3.506 -7.498 -6.432 92 1HD LYS 62 1HD LYS 62 5.333 -5.187 -6.915 93 2HD LYS 62 2HD LYS 62 5.590 -6.135 -5.450 94 1HE LYS 62 1HE LYS 62 5.433 -8.207 -7.038 95 2HE LYS 62 2HE LYS 62 5.766 -7.030 -8.324 96 1HZ LYS 62 1HZ LYS 62 7.651 -6.221 -6.990 97 2HZ LYS 62 2HZ LYS 62 7.375 -7.462 -5.861 98 3HZ LYS 62 3HZ LYS 62 7.843 -7.842 -7.450 99 H ASP 63 H ASP 63 2.643 -9.131 -8.235 100 HA ASP 63 HA ASP 63 -0.031 -9.431 -9.382 101 1HB ASP 63 1HB ASP 63 0.276 -11.765 -8.584 102 2HB ASP 63 2HB ASP 63 1.692 -11.191 -9.463 103 H GLN 64 H GLN 64 -1.848 -8.818 -8.297 104 HA GLN 64 HA GLN 64 -1.795 -8.757 -5.303 105 1HB GLN 64 1HB GLN 64 -3.263 -7.271 -7.477 106 2HB GLN 64 2HB GLN 64 -3.894 -7.288 -5.831 107 1HG GLN 64 1HG GLN 64 -1.026 -6.551 -6.425 108 2HG GLN 64 2HG GLN 64 -2.317 -5.350 -6.442 109 1HE2 GLN 64 2HE2 GLN 64 -3.658 -5.224 -4.357 110 2HE2 GLN 64 1HE2 GLN 64 -2.866 -5.534 -2.888 111 H LEU 65 H LEU 65 -2.122 -11.291 -6.317 112 HA LEU 65 HA LEU 65 -3.545 -13.159 -6.276 113 1HB LEU 65 1HB LEU 65 -4.725 -11.131 -4.418 114 2HB LEU 65 2HB LEU 65 -5.672 -12.576 -4.772 115 HG LEU 65 HG LEU 65 -2.772 -12.734 -3.943 116 1HD1 LEU 65 1HD1 LEU 65 -5.251 -12.409 -2.283 117 2HD1 LEU 65 2HD1 LEU 65 -3.947 -13.436 -1.686 118 3HD1 LEU 65 3HD1 LEU 65 -3.642 -11.732 -2.028 119 1HD2 LEU 65 1HD2 LEU 65 -4.086 -14.658 -5.070 120 2HD2 LEU 65 2HD2 LEU 65 -3.241 -15.025 -3.565 121 3HD2 LEU 65 3HD2 LEU 65 -4.983 -14.753 -3.554 122 H GLN 66 H GLN 66 -6.275 -10.887 -6.119 123 HA GLN 66 HA GLN 66 -7.716 -12.122 -8.244 124 1HB GLN 66 1HB GLN 66 -7.799 -9.506 -6.766 125 2HB GLN 66 2HB GLN 66 -8.868 -9.744 -8.148 126 1HG GLN 66 1HG GLN 66 -10.027 -11.496 -7.121 127 2HG GLN 66 2HG GLN 66 -8.700 -11.854 -6.015 128 1HE2 GLN 66 1HE2 GLN 66 -11.455 -9.702 -6.575 129 2HE2 GLN 66 2HE2 GLN 66 -11.434 -8.986 -5.035 130 H SER 67 H SER 67 -6.594 -8.741 -8.443 131 HA SER 67 HA SER 67 -5.902 -9.225 -11.321 132 1HB SER 67 1HB SER 67 -6.476 -6.852 -11.592 133 2HB SER 67 2HB SER 67 -7.795 -7.694 -10.785 134 HG SER 67 HG SER 67 -7.530 -6.219 -9.311 135 H TYR 68 H TYR 68 -4.421 -6.933 -11.784 136 HA TYR 68 HA TYR 68 -2.000 -7.380 -10.076 137 1HB TYR 68 1HB TYR 68 -0.787 -6.576 -12.105 138 2HB TYR 68 2HB TYR 68 -1.781 -7.991 -12.443 139 HD1 TYR 68 HD1 TYR 68 -1.684 -4.275 -12.682 140 HD2 TYR 68 HD2 TYR 68 -3.553 -7.898 -14.031 141 HE1 TYR 68 HE1 TYR 68 -2.896 -2.999 -14.427 142 HE2 TYR 68 HE2 TYR 68 -4.766 -6.622 -15.779 143 HH TYR 68 HH TYR 68 -4.001 -3.923 -16.945 144 H ILE 69 H ILE 69 -0.554 -5.348 -10.023 145 HA ILE 69 HA ILE 69 -2.114 -2.809 -9.993 146 HB ILE 69 HB ILE 69 -2.274 -3.845 -7.759 147 1HG1 ILE 69 1HG1 ILE 69 -0.228 -1.665 -7.447 148 2HG1 ILE 69 2HG1 ILE 69 -1.785 -1.297 -8.189 149 1HG2 ILE 69 1HG2 ILE 69 -0.089 -5.139 -8.059 150 2HG2 ILE 69 2HG2 ILE 69 0.740 -3.652 -7.601 151 3HG2 ILE 69 3HG2 ILE 69 -0.357 -4.435 -6.465 152 1HD1 ILE 69 1HD1 ILE 69 -1.880 -2.892 -5.685 153 2HD1 ILE 69 2HD1 ILE 69 -1.376 -1.210 -5.516 154 3HD1 ILE 69 3HD1 ILE 69 -2.941 -1.593 -6.235 155 H CYS 70 H CYS 70 -0.905 -1.339 -11.111 156 HA CYS 70 HA CYS 70 1.980 -1.818 -11.541 157 1HB CYS 70 1HB CYS 70 -0.044 0.184 -12.587 158 2HB CYS 70 2HB CYS 70 1.643 0.153 -13.095 159 H PHE 71 H PHE 71 3.572 -0.663 -10.516 160 HA PHE 71 HA PHE 71 2.781 1.407 -8.533 161 1HB PHE 71 1HB PHE 71 5.201 -0.296 -9.114 162 2HB PHE 71 2HB PHE 71 5.338 1.100 -8.047 163 HD1 PHE 71 HD1 PHE 71 3.477 -2.086 -8.580 164 HD2 PHE 71 HD2 PHE 71 4.548 1.018 -5.812 165 HE1 PHE 71 HE1 PHE 71 2.514 -3.411 -6.719 166 HE2 PHE 71 HE2 PHE 71 3.585 -0.307 -3.951 167 HZ PHE 71 HZ PHE 71 2.567 -2.523 -4.404 168 H CYS 72 H CYS 72 2.337 3.145 -10.024 169 HA CYS 72 HA CYS 72 4.226 3.986 -12.058 170 1HB CYS 72 1HB CYS 72 1.984 5.511 -10.690 171 2HB CYS 72 2HB CYS 72 2.702 5.896 -12.250 172 H LEU 73 H LEU 73 5.058 6.338 -11.970 173 HA LEU 73 HA LEU 73 6.724 6.660 -9.568 174 1HB LEU 73 1HB LEU 73 6.426 7.888 -12.302 175 2HB LEU 73 2HB LEU 73 7.376 8.738 -11.091 176 HG LEU 73 HG LEU 73 8.815 7.292 -12.468 177 1HD1 LEU 73 1HD1 LEU 73 9.181 7.618 -9.939 178 2HD1 LEU 73 2HD1 LEU 73 8.573 5.973 -9.764 179 3HD1 LEU 73 3HD1 LEU 73 10.029 6.279 -10.708 180 1HD2 LEU 73 1HD2 LEU 73 6.890 5.618 -12.863 181 2HD2 LEU 73 2HD2 LEU 73 8.508 4.948 -12.653 182 3HD2 LEU 73 3HD2 LEU 73 7.356 4.910 -11.317 183 HA PRO 74 HA PRO 74 4.310 9.748 -7.557 184 1HB PRO 74 1HB PRO 74 6.053 11.804 -7.034 185 2HB PRO 74 2HB PRO 74 6.054 10.270 -6.139 186 1HG PRO 74 1HG PRO 74 7.805 11.144 -8.391 187 2HG PRO 74 2HG PRO 74 8.231 10.281 -6.902 188 1HD PRO 74 1HD PRO 74 7.960 9.013 -9.259 189 2HD PRO 74 2HD PRO 74 7.518 8.242 -7.721 190 H ALA 75 H ALA 75 5.865 10.523 -10.542 191 HA ALA 75 HA ALA 75 4.168 12.968 -10.870 192 1HB ALA 75 1HB ALA 75 6.776 12.002 -12.052 193 2HB ALA 75 2HB ALA 75 5.861 13.313 -12.796 194 3HB ALA 75 3HB ALA 75 6.471 13.486 -11.151 195 H PHE 76 H PHE 76 3.445 10.001 -11.252 196 HA PHE 76 HA PHE 76 2.479 10.253 -14.080 197 1HB PHE 76 1HB PHE 76 3.875 8.009 -12.633 198 2HB PHE 76 2HB PHE 76 2.813 7.659 -13.997 199 HD1 PHE 76 HD1 PHE 76 5.721 9.791 -12.994 200 HD2 PHE 76 HD2 PHE 76 3.597 7.878 -16.201 201 HE1 PHE 76 HE1 PHE 76 7.531 10.420 -14.570 202 HE2 PHE 76 HE2 PHE 76 5.407 8.507 -17.776 203 HZ PHE 76 HZ PHE 76 7.373 9.778 -16.960 204 H GLU 77 H GLU 77 0.542 8.833 -14.472 205 HA GLU 77 HA GLU 77 -0.975 8.012 -12.053 206 1HB GLU 77 1HB GLU 77 -1.215 10.550 -12.995 207 2HB GLU 77 2HB GLU 77 -2.435 9.741 -13.979 208 1HG GLU 77 1HG GLU 77 -3.039 8.660 -11.590 209 2HG GLU 77 2HG GLU 77 -2.370 10.197 -11.038 210 H GLY 78 H GLY 78 -3.258 7.184 -12.920 211 1HA GLY 78 1HA GLY 78 -4.467 6.121 -14.766 212 2HA GLY 78 2HA GLY 78 -2.921 5.869 -15.578 213 H ARG 79 H ARG 79 -4.472 3.677 -15.391 214 HA ARG 79 HA ARG 79 -3.986 2.140 -12.945 215 1HB ARG 79 1HB ARG 79 -5.973 1.983 -14.516 216 2HB ARG 79 2HB ARG 79 -4.897 1.217 -15.686 217 1HG ARG 79 1HG ARG 79 -5.636 -0.690 -14.645 218 2HG ARG 79 2HG ARG 79 -4.327 -0.294 -13.529 219 1HD ARG 79 1HD ARG 79 -5.841 0.738 -11.973 220 2HD ARG 79 2HD ARG 79 -7.170 0.697 -13.148 221 HE ARG 79 HE ARG 79 -6.094 -1.954 -12.721 222 1HH1 ARG 79 1HH1 ARG 79 -8.405 0.406 -11.609 223 2HH1 ARG 79 2HH1 ARG 79 -9.233 -0.726 -10.597 224 1HH2 ARG 79 1HH2 ARG 79 -7.106 -3.364 -11.290 225 2HH2 ARG 79 2HH2 ARG 79 -8.507 -2.839 -10.417 226 H ASN 80 H ASN 80 -2.700 2.163 -16.273 227 HA ASN 80 HA ASN 80 -0.575 0.226 -15.443 228 1HB ASN 80 1HB ASN 80 -1.664 1.145 -18.122 229 2HB ASN 80 2HB ASN 80 -0.322 0.013 -17.944 230 1HD2 ASN 80 2HD2 ASN 80 -0.896 -1.947 -16.412 231 2HD2 ASN 80 1HD2 ASN 80 -2.449 -2.606 -16.603 232 H CYS 81 H CYS 81 -0.630 3.170 -14.827 233 HA CYS 81 HA CYS 81 0.864 4.996 -14.835 234 1HB CYS 81 1HB CYS 81 2.757 2.880 -15.914 235 2HB CYS 81 2HB CYS 81 3.219 4.377 -15.112 236 H GLU 82 H GLU 82 -0.701 4.283 -17.329 237 HA GLU 82 HA GLU 82 0.997 4.967 -19.602 238 1HB GLU 82 1HB GLU 82 -1.179 4.937 -20.788 239 2HB GLU 82 2HB GLU 82 -0.994 3.524 -19.751 240 1HG GLU 82 1HG GLU 82 -2.997 4.077 -18.858 241 2HG GLU 82 2HG GLU 82 -2.162 5.409 -18.062 242 H THR 83 H THR 83 -0.644 6.818 -17.176 243 HA THR 83 HA THR 83 -0.763 9.246 -18.898 244 HB THR 83 HB THR 83 -1.609 8.946 -16.012 245 HG1 THR 83 HG1 THR 83 -3.003 8.210 -18.369 246 1HG2 THR 83 1HG2 THR 83 -1.584 11.202 -17.087 247 2HG2 THR 83 2HG2 THR 83 -2.715 10.598 -18.298 248 3HG2 THR 83 3HG2 THR 83 -3.200 10.687 -16.604 249 H HIS 84 H HIS 84 0.230 11.242 -18.106 250 HA HIS 84 HA HIS 84 2.511 10.812 -16.203 251 1HB HIS 84 1HB HIS 84 2.982 10.894 -18.742 252 2HB HIS 84 2HB HIS 84 2.558 12.603 -18.638 253 HD1 HIS 84 HD1 HIS 84 5.487 11.414 -19.218 254 HD2 HIS 84 HD2 HIS 84 4.118 12.935 -15.586 255 HE1 HIS 84 HE1 HIS 84 7.542 12.119 -17.917 256 H LYS 85 H LYS 85 2.342 12.200 -14.494 257 HA LYS 85 HA LYS 85 0.530 14.538 -14.657 258 1HB LYS 85 1HB LYS 85 2.017 13.045 -12.490 259 2HB LYS 85 2HB LYS 85 1.186 14.565 -12.155 260 1HG LYS 85 1HG LYS 85 -0.358 12.515 -13.660 261 2HG LYS 85 2HG LYS 85 -0.040 12.171 -11.959 262 1HD LYS 85 1HD LYS 85 -0.949 14.930 -12.589 263 2HD LYS 85 2HD LYS 85 -2.147 13.651 -12.780 264 1HE LYS 85 1HE LYS 85 -2.468 13.987 -10.528 265 2HE LYS 85 2HE LYS 85 -1.032 12.956 -10.374 266 1HZ LYS 85 1HZ LYS 85 -0.880 15.890 -10.785 267 2HZ LYS 85 2HZ LYS 85 -0.868 15.178 -9.245 268 3HZ LYS 85 3HZ LYS 85 0.378 14.835 -10.348 269 H ASP 86 H ASP 86 1.282 16.676 -13.996 270 HA ASP 86 HA ASP 86 4.152 17.155 -14.681 271 1HB ASP 86 1HB ASP 86 2.316 18.223 -16.002 272 2HB ASP 86 2HB ASP 86 1.772 19.035 -14.534 273 H ASP 87 H ASP 87 3.118 16.266 -11.988 274 HA ASP 87 HA ASP 87 4.567 18.245 -10.372 275 1HB ASP 87 1HB ASP 87 2.584 18.712 -8.936 276 2HB ASP 87 2HB ASP 87 2.337 19.256 -10.594 277 H GLY 88 H GLY 88 3.725 17.463 -7.854 278 1HA GLY 88 1HA GLY 88 3.988 14.488 -7.828 279 2HA GLY 88 2HA GLY 88 5.062 15.478 -6.837 280 H SER 89 H SER 89 2.134 13.823 -6.858 281 HA SER 89 HA SER 89 1.009 15.454 -4.611 282 1HB SER 89 1HB SER 89 -0.356 15.000 -6.665 283 2HB SER 89 2HB SER 89 -0.232 13.276 -6.327 284 HG SER 89 HG SER 89 -1.955 15.029 -5.341 285 H ALA 90 H ALA 90 0.304 14.310 -2.691 286 HA ALA 90 HA ALA 90 1.465 11.565 -2.346 287 1HB ALA 90 1HB ALA 90 2.725 13.648 -1.400 288 2HB ALA 90 2HB ALA 90 1.442 13.675 -0.192 289 3HB ALA 90 3HB ALA 90 2.487 12.262 -0.337 Start of MODEL 15 1 1H SER 45 1H SER 45 1.274 -16.106 -9.105 2 2H SER 45 2H SER 45 1.186 -15.267 -7.631 3 3H SER 45 3H SER 45 2.600 -16.108 -8.043 4 HA SER 45 HA SER 45 1.565 -18.210 -7.777 5 1HB SER 45 1HB SER 45 0.777 -16.209 -5.636 6 2HB SER 45 2HB SER 45 0.863 -17.951 -5.394 7 HG SER 45 HG SER 45 2.975 -17.838 -5.362 8 H ASP 46 H ASP 46 -0.786 -15.542 -7.455 9 HA ASP 46 HA ASP 46 -2.961 -17.476 -8.192 10 1HB ASP 46 1HB ASP 46 -2.925 -16.613 -5.820 11 2HB ASP 46 2HB ASP 46 -3.145 -14.987 -6.468 12 H GLY 47 H GLY 47 -2.560 -16.850 -10.466 13 1HA GLY 47 1HA GLY 47 -3.837 -15.622 -12.172 14 2HA GLY 47 2HA GLY 47 -3.801 -14.211 -11.114 15 H ASP 48 H ASP 48 -2.840 -14.501 -13.918 16 HA ASP 48 HA ASP 48 0.058 -13.843 -13.490 17 1HB ASP 48 1HB ASP 48 -0.438 -15.913 -14.779 18 2HB ASP 48 2HB ASP 48 -1.377 -14.955 -15.925 19 H GLN 49 H GLN 49 -1.742 -11.786 -13.078 20 HA GLN 49 HA GLN 49 -2.553 -10.279 -15.365 21 1HB GLN 49 1HB GLN 49 -1.726 -9.479 -12.555 22 2HB GLN 49 2HB GLN 49 -2.530 -8.394 -13.690 23 1HG GLN 49 1HG GLN 49 -3.655 -11.065 -12.802 24 2HG GLN 49 2HG GLN 49 -4.117 -9.512 -12.103 25 1HE2 GLN 49 2HE2 GLN 49 -4.722 -11.687 -14.717 26 2HE2 GLN 49 1HE2 GLN 49 -5.749 -10.674 -15.610 27 H CYS 50 H CYS 50 0.532 -10.450 -13.629 28 HA CYS 50 HA CYS 50 1.713 -8.299 -15.294 29 1HB CYS 50 1HB CYS 50 2.766 -10.057 -13.052 30 2HB CYS 50 2HB CYS 50 3.656 -8.718 -13.776 31 H ALA 51 H ALA 51 0.945 -10.462 -16.885 32 HA ALA 51 HA ALA 51 3.101 -12.390 -17.249 33 1HB ALA 51 1HB ALA 51 0.631 -12.643 -17.801 34 2HB ALA 51 2HB ALA 51 0.905 -11.568 -19.171 35 3HB ALA 51 3HB ALA 51 1.730 -13.125 -19.093 36 H SER 52 H SER 52 1.871 -9.844 -19.461 37 HA SER 52 HA SER 52 4.551 -9.714 -20.748 38 1HB SER 52 1HB SER 52 2.169 -9.942 -21.848 39 2HB SER 52 2HB SER 52 2.093 -8.201 -21.593 40 HG SER 52 HG SER 52 3.013 -8.953 -23.649 41 H SER 53 H SER 53 3.898 -8.496 -18.045 42 HA SER 53 HA SER 53 4.288 -6.480 -16.878 43 1HB SER 53 1HB SER 53 6.424 -6.974 -18.180 44 2HB SER 53 2HB SER 53 5.868 -5.801 -19.370 45 HG SER 53 HG SER 53 6.473 -4.280 -18.063 46 HA PRO 54 HA PRO 54 1.183 -4.195 -19.478 47 1HB PRO 54 1HB PRO 54 -0.678 -3.878 -17.496 48 2HB PRO 54 2HB PRO 54 -0.620 -5.305 -18.549 49 1HG PRO 54 1HG PRO 54 0.373 -4.967 -15.763 50 2HG PRO 54 2HG PRO 54 -0.436 -6.351 -16.513 51 1HD PRO 54 1HD PRO 54 2.251 -6.238 -16.092 52 2HD PRO 54 2HD PRO 54 1.506 -7.167 -17.412 53 H CYS 55 H CYS 55 2.726 -3.667 -16.385 54 HA CYS 55 HA CYS 55 1.954 -0.866 -16.091 55 1HB CYS 55 1HB CYS 55 4.220 -2.487 -14.875 56 2HB CYS 55 2HB CYS 55 3.613 -0.950 -14.265 57 H GLN 56 H GLN 56 2.804 0.752 -17.356 58 HA GLN 56 HA GLN 56 5.431 0.273 -18.707 59 1HB GLN 56 1HB GLN 56 4.618 2.062 -20.233 60 2HB GLN 56 2HB GLN 56 3.466 0.736 -20.111 61 1HG GLN 56 1HG GLN 56 1.895 2.021 -19.085 62 2HG GLN 56 2HG GLN 56 3.088 2.885 -18.118 63 1HE2 GLN 56 2HE2 GLN 56 1.388 2.871 -21.219 64 2HE2 GLN 56 1HE2 GLN 56 1.891 4.417 -21.706 65 H ASN 57 H ASN 57 6.062 2.967 -19.243 66 HA ASN 57 HA ASN 57 7.267 4.758 -18.300 67 1HB ASN 57 1HB ASN 57 4.881 4.340 -16.511 68 2HB ASN 57 2HB ASN 57 6.058 5.600 -16.137 69 1HD2 ASN 57 2HD2 ASN 57 3.262 6.036 -17.021 70 2HD2 ASN 57 1HD2 ASN 57 3.352 6.898 -18.480 71 H GLY 58 H GLY 58 8.284 2.127 -17.680 72 1HA GLY 58 1HA GLY 58 9.859 1.128 -16.257 73 2HA GLY 58 2HA GLY 58 10.134 2.741 -15.605 74 H GLY 59 H GLY 59 7.048 1.014 -15.540 75 1HA GLY 59 1HA GLY 59 7.091 1.225 -12.574 76 2HA GLY 59 2HA GLY 59 5.653 0.975 -13.562 77 H SER 60 H SER 60 6.728 -0.601 -11.254 78 HA SER 60 HA SER 60 7.409 -3.205 -12.520 79 1HB SER 60 1HB SER 60 7.763 -1.841 -9.944 80 2HB SER 60 2HB SER 60 7.278 -3.525 -9.767 81 HG SER 60 HG SER 60 9.658 -2.751 -10.163 82 H CYS 61 H CYS 61 5.851 -4.756 -12.799 83 HA CYS 61 HA CYS 61 3.104 -4.238 -11.834 84 1HB CYS 61 1HB CYS 61 3.758 -4.948 -14.178 85 2HB CYS 61 2HB CYS 61 4.217 -6.512 -13.502 86 H LYS 62 H LYS 62 2.207 -5.296 -10.111 87 HA LYS 62 HA LYS 62 3.601 -7.733 -9.047 88 1HB LYS 62 1HB LYS 62 3.773 -5.322 -7.904 89 2HB LYS 62 2HB LYS 62 2.209 -5.795 -7.239 90 1HG LYS 62 1HG LYS 62 3.716 -6.621 -5.639 91 2HG LYS 62 2HG LYS 62 3.409 -8.036 -6.647 92 1HD LYS 62 1HD LYS 62 5.511 -8.009 -7.568 93 2HD LYS 62 2HD LYS 62 5.631 -6.250 -7.500 94 1HE LYS 62 1HE LYS 62 6.048 -6.325 -5.092 95 2HE LYS 62 2HE LYS 62 5.812 -8.084 -5.082 96 1HZ LYS 62 1HZ LYS 62 7.801 -6.705 -6.800 97 2HZ LYS 62 2HZ LYS 62 8.183 -7.370 -5.287 98 3HZ LYS 62 3HZ LYS 62 7.644 -8.378 -6.544 99 H ASP 63 H ASP 63 2.208 -9.444 -8.897 100 HA ASP 63 HA ASP 63 -0.585 -9.249 -9.568 101 1HB ASP 63 1HB ASP 63 -0.567 -11.651 -8.897 102 2HB ASP 63 2HB ASP 63 0.800 -11.247 -9.934 103 H GLN 64 H GLN 64 -2.158 -8.439 -8.251 104 HA GLN 64 HA GLN 64 -1.828 -8.732 -5.282 105 1HB GLN 64 1HB GLN 64 -2.922 -6.580 -7.088 106 2HB GLN 64 2HB GLN 64 -3.424 -6.662 -5.400 107 1HG GLN 64 1HG GLN 64 -0.528 -6.598 -6.288 108 2HG GLN 64 2HG GLN 64 -1.437 -5.166 -5.800 109 1HE2 GLN 64 2HE2 GLN 64 -2.780 -5.807 -3.563 110 2HE2 GLN 64 1HE2 GLN 64 -1.765 -6.437 -2.355 111 H LEU 65 H LEU 65 -2.920 -10.939 -6.167 112 HA LEU 65 HA LEU 65 -4.835 -12.317 -6.159 113 1HB LEU 65 1HB LEU 65 -5.424 -9.984 -4.373 114 2HB LEU 65 2HB LEU 65 -6.736 -11.107 -4.733 115 HG LEU 65 HG LEU 65 -4.112 -12.300 -3.984 116 1HD1 LEU 65 1HD1 LEU 65 -4.720 -10.280 -2.420 117 2HD1 LEU 65 2HD1 LEU 65 -5.953 -11.377 -1.796 118 3HD1 LEU 65 3HD1 LEU 65 -4.248 -11.820 -1.702 119 1HD2 LEU 65 1HD2 LEU 65 -6.450 -13.402 -4.545 120 2HD2 LEU 65 2HD2 LEU 65 -5.450 -14.062 -3.249 121 3HD2 LEU 65 3HD2 LEU 65 -6.808 -13.002 -2.865 122 H GLN 66 H GLN 66 -5.601 -12.437 -8.257 123 HA GLN 66 HA GLN 66 -7.084 -12.099 -10.056 124 1HB GLN 66 1HB GLN 66 -8.472 -11.460 -7.763 125 2HB GLN 66 2HB GLN 66 -8.636 -9.978 -8.704 126 1HG GLN 66 1HG GLN 66 -10.483 -11.462 -9.256 127 2HG GLN 66 2HG GLN 66 -9.404 -11.359 -10.648 128 1HE2 GLN 66 2HE2 GLN 66 -9.902 -13.487 -11.473 129 2HE2 GLN 66 1HE2 GLN 66 -9.457 -14.903 -10.649 130 H SER 67 H SER 67 -7.018 -8.837 -8.562 131 HA SER 67 HA SER 67 -6.417 -7.622 -11.174 132 1HB SER 67 1HB SER 67 -7.992 -6.542 -9.701 133 2HB SER 67 2HB SER 67 -6.861 -6.609 -8.352 134 HG SER 67 HG SER 67 -7.021 -4.851 -10.468 135 H TYR 68 H TYR 68 -4.661 -5.715 -10.909 136 HA TYR 68 HA TYR 68 -2.241 -6.817 -9.528 137 1HB TYR 68 1HB TYR 68 -0.965 -6.213 -11.588 138 2HB TYR 68 2HB TYR 68 -2.196 -7.437 -11.899 139 HD1 TYR 68 HD1 TYR 68 -1.472 -3.789 -12.138 140 HD2 TYR 68 HD2 TYR 68 -3.974 -7.034 -13.429 141 HE1 TYR 68 HE1 TYR 68 -2.502 -2.316 -13.848 142 HE2 TYR 68 HE2 TYR 68 -5.004 -5.561 -15.138 143 HH TYR 68 HH TYR 68 -4.509 -2.154 -15.165 144 H ILE 69 H ILE 69 -0.456 -5.066 -9.531 145 HA ILE 69 HA ILE 69 -1.589 -2.306 -9.352 146 HB ILE 69 HB ILE 69 -1.655 -3.381 -7.129 147 1HG1 ILE 69 1HG1 ILE 69 0.709 -1.521 -7.051 148 2HG1 ILE 69 2HG1 ILE 69 -0.871 -0.921 -7.556 149 1HG2 ILE 69 1HG2 ILE 69 0.238 -4.988 -7.657 150 2HG2 ILE 69 2HG2 ILE 69 1.353 -3.654 -7.358 151 3HG2 ILE 69 3HG2 ILE 69 0.316 -4.245 -6.060 152 1HD1 ILE 69 1HD1 ILE 69 -0.829 -2.579 -5.091 153 2HD1 ILE 69 2HD1 ILE 69 -0.089 -0.983 -4.968 154 3HD1 ILE 69 3HD1 ILE 69 -1.775 -1.137 -5.463 155 H CYS 70 H CYS 70 -0.269 -0.934 -10.479 156 HA CYS 70 HA CYS 70 2.419 -1.851 -11.310 157 1HB CYS 70 1HB CYS 70 0.647 0.512 -11.996 158 2HB CYS 70 2HB CYS 70 2.236 0.248 -12.715 159 H PHE 71 H PHE 71 4.292 -1.042 -10.447 160 HA PHE 71 HA PHE 71 4.098 1.015 -8.301 161 1HB PHE 71 1HB PHE 71 6.079 -1.081 -9.187 162 2HB PHE 71 2HB PHE 71 6.576 0.201 -8.083 163 HD1 PHE 71 HD1 PHE 71 4.243 -2.646 -8.542 164 HD2 PHE 71 HD2 PHE 71 5.843 0.245 -5.798 165 HE1 PHE 71 HE1 PHE 71 3.210 -3.871 -6.651 166 HE2 PHE 71 HE2 PHE 71 4.810 -0.981 -3.905 167 HZ PHE 71 HZ PHE 71 3.493 -3.039 -4.332 168 H CYS 72 H CYS 72 3.867 2.889 -9.682 169 HA CYS 72 HA CYS 72 6.201 3.481 -11.467 170 1HB CYS 72 1HB CYS 72 3.360 4.544 -11.363 171 2HB CYS 72 2HB CYS 72 4.577 5.049 -12.534 172 H LEU 73 H LEU 73 5.945 6.199 -11.668 173 HA LEU 73 HA LEU 73 7.019 7.140 -9.103 174 1HB LEU 73 1HB LEU 73 6.947 7.898 -11.936 175 2HB LEU 73 2HB LEU 73 6.777 9.288 -10.864 176 HG LEU 73 HG LEU 73 8.805 8.512 -9.625 177 1HD1 LEU 73 1HD1 LEU 73 8.943 6.507 -11.899 178 2HD1 LEU 73 2HD1 LEU 73 10.220 6.786 -10.715 179 3HD1 LEU 73 3HD1 LEU 73 8.668 6.126 -10.199 180 1HD2 LEU 73 1HD2 LEU 73 8.895 9.164 -12.563 181 2HD2 LEU 73 2HD2 LEU 73 9.285 10.197 -11.188 182 3HD2 LEU 73 3HD2 LEU 73 10.391 8.911 -11.666 183 HA PRO 74 HA PRO 74 3.346 8.973 -7.527 184 1HB PRO 74 1HB PRO 74 4.235 11.366 -6.519 185 2HB PRO 74 2HB PRO 74 4.542 9.800 -5.739 186 1HG PRO 74 1HG PRO 74 6.327 11.413 -7.507 187 2HG PRO 74 2HG PRO 74 6.711 10.544 -6.011 188 1HD PRO 74 1HD PRO 74 7.300 9.533 -8.435 189 2HD PRO 74 2HD PRO 74 6.826 8.495 -7.071 190 H ALA 75 H ALA 75 5.091 10.520 -10.072 191 HA ALA 75 HA ALA 75 2.980 12.576 -10.488 192 1HB ALA 75 1HB ALA 75 5.634 12.759 -10.612 193 2HB ALA 75 2HB ALA 75 5.365 12.187 -12.258 194 3HB ALA 75 3HB ALA 75 4.612 13.686 -11.710 195 H PHE 76 H PHE 76 2.832 9.479 -11.053 196 HA PHE 76 HA PHE 76 2.021 9.727 -13.937 197 1HB PHE 76 1HB PHE 76 3.183 7.460 -12.298 198 2HB PHE 76 2HB PHE 76 2.503 7.221 -13.908 199 HD1 PHE 76 HD1 PHE 76 4.950 9.414 -12.094 200 HD2 PHE 76 HD2 PHE 76 3.884 7.471 -15.774 201 HE1 PHE 76 HE1 PHE 76 7.079 10.172 -13.107 202 HE2 PHE 76 HE2 PHE 76 6.020 8.227 -16.787 203 HZ PHE 76 HZ PHE 76 7.618 9.576 -15.450 204 H GLU 77 H GLU 77 0.153 8.346 -14.538 205 HA GLU 77 HA GLU 77 -1.581 7.411 -12.314 206 1HB GLU 77 1HB GLU 77 -1.770 9.979 -13.186 207 2HB GLU 77 2HB GLU 77 -2.876 9.187 -14.311 208 1HG GLU 77 1HG GLU 77 -4.347 9.581 -12.581 209 2HG GLU 77 2HG GLU 77 -3.720 8.016 -12.060 210 H GLY 78 H GLY 78 -3.664 6.442 -13.323 211 1HA GLY 78 1HA GLY 78 -4.723 5.458 -15.318 212 2HA GLY 78 2HA GLY 78 -3.115 5.297 -16.027 213 H ARG 79 H ARG 79 -5.127 3.184 -15.565 214 HA ARG 79 HA ARG 79 -4.519 1.534 -13.319 215 1HB ARG 79 1HB ARG 79 -6.246 1.499 -15.429 216 2HB ARG 79 2HB ARG 79 -5.119 0.232 -15.918 217 1HG ARG 79 1HG ARG 79 -5.479 -0.983 -13.868 218 2HG ARG 79 2HG ARG 79 -6.407 0.350 -13.179 219 1HD ARG 79 1HD ARG 79 -7.354 -0.802 -15.778 220 2HD ARG 79 2HD ARG 79 -7.655 -1.725 -14.292 221 HE ARG 79 HE ARG 79 -8.422 0.734 -13.489 222 1HH1 ARG 79 1HH1 ARG 79 -9.274 -1.219 -16.245 223 2HH1 ARG 79 2HH1 ARG 79 -10.703 -0.306 -16.587 224 1HH2 ARG 79 1HH2 ARG 79 -10.213 1.985 -14.041 225 2HH2 ARG 79 2HH2 ARG 79 -11.231 1.489 -15.351 226 H ASN 80 H ASN 80 -3.114 1.590 -16.601 227 HA ASN 80 HA ASN 80 -0.948 -0.258 -15.683 228 1HB ASN 80 1HB ASN 80 -1.903 0.638 -18.425 229 2HB ASN 80 2HB ASN 80 -0.607 -0.525 -18.145 230 1HD2 ASN 80 1HD2 ASN 80 -1.427 -2.333 -16.410 231 2HD2 ASN 80 2HD2 ASN 80 -2.940 -3.003 -16.787 232 H CYS 81 H CYS 81 -1.150 2.686 -15.082 233 HA CYS 81 HA CYS 81 0.247 4.581 -15.050 234 1HB CYS 81 1HB CYS 81 2.077 2.266 -15.671 235 2HB CYS 81 2HB CYS 81 2.714 3.903 -15.535 236 H GLU 82 H GLU 82 -1.253 4.311 -17.423 237 HA GLU 82 HA GLU 82 0.662 4.974 -19.618 238 1HB GLU 82 1HB GLU 82 -1.336 4.581 -21.048 239 2HB GLU 82 2HB GLU 82 -0.994 3.199 -20.009 240 1HG GLU 82 1HG GLU 82 -2.786 3.704 -18.547 241 2HG GLU 82 2HG GLU 82 -2.932 5.353 -19.158 242 H THR 83 H THR 83 -0.289 6.799 -17.305 243 HA THR 83 HA THR 83 -1.072 9.091 -19.056 244 HB THR 83 HB THR 83 -2.356 8.307 -16.418 245 HG1 THR 83 HG1 THR 83 -3.345 8.237 -19.076 246 1HG2 THR 83 1HG2 THR 83 -2.985 10.516 -18.397 247 2HG2 THR 83 2HG2 THR 83 -3.952 10.118 -16.977 248 3HG2 THR 83 3HG2 THR 83 -2.310 10.732 -16.782 249 H HIS 84 H HIS 84 0.754 10.353 -18.790 250 HA HIS 84 HA HIS 84 2.189 10.486 -16.228 251 1HB HIS 84 1HB HIS 84 3.074 10.558 -18.673 252 2HB HIS 84 2HB HIS 84 2.577 12.250 -18.647 253 HD1 HIS 84 HD1 HIS 84 5.605 11.121 -18.690 254 HD2 HIS 84 HD2 HIS 84 3.575 12.668 -15.393 255 HE1 HIS 84 HE1 HIS 84 7.378 11.902 -17.059 256 H LYS 85 H LYS 85 1.540 11.851 -14.622 257 HA LYS 85 HA LYS 85 -0.375 14.023 -15.149 258 1HB LYS 85 1HB LYS 85 0.993 12.834 -12.726 259 2HB LYS 85 2HB LYS 85 -0.066 14.239 -12.603 260 1HG LYS 85 1HG LYS 85 -0.950 11.694 -13.968 261 2HG LYS 85 2HG LYS 85 -1.158 11.944 -12.234 262 1HD LYS 85 1HD LYS 85 -2.759 13.570 -12.516 263 2HD LYS 85 2HD LYS 85 -2.063 14.139 -14.034 264 1HE LYS 85 1HE LYS 85 -2.824 11.654 -14.804 265 2HE LYS 85 2HE LYS 85 -4.058 11.985 -13.571 266 1HZ LYS 85 1HZ LYS 85 -3.287 13.913 -15.693 267 2HZ LYS 85 2HZ LYS 85 -4.614 12.865 -15.819 268 3HZ LYS 85 3HZ LYS 85 -4.582 14.049 -14.602 269 H ASP 86 H ASP 86 0.090 16.245 -14.916 270 HA ASP 86 HA ASP 86 2.810 17.117 -14.146 271 1HB ASP 86 1HB ASP 86 2.659 16.398 -16.635 272 2HB ASP 86 2HB ASP 86 1.701 17.864 -16.854 273 H ASP 87 H ASP 87 0.348 17.633 -12.869 274 HA ASP 87 HA ASP 87 -1.000 19.405 -12.076 275 1HB ASP 87 1HB ASP 87 1.595 20.594 -12.998 276 2HB ASP 87 2HB ASP 87 0.310 21.681 -12.469 277 H GLY 88 H GLY 88 -1.669 21.862 -12.948 278 1HA GLY 88 1HA GLY 88 -2.593 21.428 -15.763 279 2HA GLY 88 2HA GLY 88 -3.570 22.239 -14.539 280 H SER 89 H SER 89 -3.676 24.359 -15.100 281 HA SER 89 HA SER 89 -1.392 25.707 -16.403 282 1HB SER 89 1HB SER 89 -4.165 26.608 -15.558 283 2HB SER 89 2HB SER 89 -3.053 27.562 -16.535 284 HG SER 89 HG SER 89 -4.772 25.940 -17.466 285 H ALA 90 H ALA 90 -3.215 25.896 -13.343 286 HA ALA 90 HA ALA 90 -1.411 27.997 -12.296 287 1HB ALA 90 1HB ALA 90 -3.874 28.026 -11.955 288 2HB ALA 90 2HB ALA 90 -3.756 26.498 -11.080 289 3HB ALA 90 3HB ALA 90 -3.009 27.953 -10.420 Start of MODEL 16 1 1H SER 45 1H SER 45 -8.741 -18.631 -14.403 2 2H SER 45 2H SER 45 -9.327 -19.621 -13.153 3 3H SER 45 3H SER 45 -10.411 -18.856 -14.214 4 HA SER 45 HA SER 45 -9.834 -16.694 -13.351 5 1HB SER 45 1HB SER 45 -11.616 -17.875 -12.257 6 2HB SER 45 2HB SER 45 -10.483 -18.914 -11.397 7 HG SER 45 HG SER 45 -11.449 -17.009 -10.259 8 H ASP 46 H ASP 46 -8.388 -15.407 -12.165 9 HA ASP 46 HA ASP 46 -6.319 -14.811 -11.189 10 1HB ASP 46 1HB ASP 46 -6.969 -17.426 -9.792 11 2HB ASP 46 2HB ASP 46 -5.741 -16.287 -9.241 12 H GLY 47 H GLY 47 -6.019 -16.055 -13.701 13 1HA GLY 47 1HA GLY 47 -4.077 -18.223 -13.549 14 2HA GLY 47 2HA GLY 47 -4.527 -17.338 -15.008 15 H ASP 48 H ASP 48 -3.386 -15.420 -15.537 16 HA ASP 48 HA ASP 48 -1.016 -14.767 -13.826 17 1HB ASP 48 1HB ASP 48 -0.868 -16.326 -16.039 18 2HB ASP 48 2HB ASP 48 -0.709 -14.735 -16.784 19 H GLN 49 H GLN 49 -1.572 -12.683 -13.228 20 HA GLN 49 HA GLN 49 -2.804 -10.844 -15.207 21 1HB GLN 49 1HB GLN 49 -2.138 -10.621 -12.252 22 2HB GLN 49 2HB GLN 49 -3.035 -9.415 -13.174 23 1HG GLN 49 1HG GLN 49 -4.801 -10.642 -12.323 24 2HG GLN 49 2HG GLN 49 -4.518 -11.528 -13.823 25 1HE2 GLN 49 2HE2 GLN 49 -3.603 -11.555 -10.342 26 2HE2 GLN 49 1HE2 GLN 49 -3.374 -13.235 -10.261 27 H CYS 50 H CYS 50 0.102 -11.068 -13.140 28 HA CYS 50 HA CYS 50 1.318 -8.783 -14.637 29 1HB CYS 50 1HB CYS 50 1.139 -8.714 -12.150 30 2HB CYS 50 2HB CYS 50 2.117 -10.179 -12.060 31 H ALA 51 H ALA 51 1.283 -10.946 -16.238 32 HA ALA 51 HA ALA 51 3.586 -12.715 -15.857 33 1HB ALA 51 1HB ALA 51 1.215 -12.838 -17.186 34 2HB ALA 51 2HB ALA 51 2.296 -12.407 -18.511 35 3HB ALA 51 3HB ALA 51 2.594 -13.870 -17.571 36 H SER 52 H SER 52 2.788 -10.470 -18.540 37 HA SER 52 HA SER 52 5.698 -10.114 -19.056 38 1HB SER 52 1HB SER 52 4.270 -10.743 -20.917 39 2HB SER 52 2HB SER 52 3.157 -9.425 -20.564 40 HG SER 52 HG SER 52 5.726 -9.376 -21.688 41 H SER 53 H SER 53 4.107 -8.761 -16.795 42 HA SER 53 HA SER 53 3.954 -6.619 -15.806 43 1HB SER 53 1HB SER 53 6.382 -6.892 -16.060 44 2HB SER 53 2HB SER 53 6.296 -6.274 -17.706 45 HG SER 53 HG SER 53 6.841 -4.784 -15.848 46 HA PRO 54 HA PRO 54 1.702 -4.838 -19.433 47 1HB PRO 54 1HB PRO 54 -0.626 -4.321 -18.095 48 2HB PRO 54 2HB PRO 54 -0.271 -5.886 -18.851 49 1HG PRO 54 1HG PRO 54 -0.085 -5.078 -15.993 50 2HG PRO 54 2HG PRO 54 -0.630 -6.607 -16.702 51 1HD PRO 54 1HD PRO 54 1.837 -6.252 -15.593 52 2HD PRO 54 2HD PRO 54 1.494 -7.434 -16.877 53 H CYS 55 H CYS 55 2.754 -3.714 -16.377 54 HA CYS 55 HA CYS 55 1.625 -1.100 -16.226 55 1HB CYS 55 1HB CYS 55 4.382 -2.095 -15.423 56 2HB CYS 55 2HB CYS 55 3.590 -0.653 -14.793 57 H GLN 56 H GLN 56 2.742 0.964 -16.762 58 HA GLN 56 HA GLN 56 4.562 0.746 -19.137 59 1HB GLN 56 1HB GLN 56 1.916 1.383 -19.229 60 2HB GLN 56 2HB GLN 56 2.620 2.984 -19.003 61 1HG GLN 56 1HG GLN 56 2.847 2.918 -21.274 62 2HG GLN 56 2HG GLN 56 4.296 1.984 -20.898 63 1HE2 GLN 56 2HE2 GLN 56 0.770 1.501 -21.499 64 2HE2 GLN 56 1HE2 GLN 56 0.957 -0.012 -22.244 65 H ASN 57 H ASN 57 5.404 3.134 -19.607 66 HA ASN 57 HA ASN 57 6.838 4.857 -18.876 67 1HB ASN 57 1HB ASN 57 4.518 4.824 -16.957 68 2HB ASN 57 2HB ASN 57 5.824 5.991 -16.746 69 1HD2 ASN 57 2HD2 ASN 57 3.052 6.643 -17.530 70 2HD2 ASN 57 1HD2 ASN 57 3.141 7.357 -19.067 71 H GLY 58 H GLY 58 7.737 2.267 -18.129 72 1HA GLY 58 1HA GLY 58 9.286 1.244 -16.697 73 2HA GLY 58 2HA GLY 58 9.677 2.872 -16.142 74 H GLY 59 H GLY 59 6.427 1.593 -15.861 75 1HA GLY 59 1HA GLY 59 6.461 2.024 -12.977 76 2HA GLY 59 2HA GLY 59 5.098 1.413 -13.915 77 H SER 60 H SER 60 6.309 0.400 -11.363 78 HA SER 60 HA SER 60 7.479 -2.208 -12.131 79 1HB SER 60 1HB SER 60 8.488 -1.229 -10.243 80 2HB SER 60 2HB SER 60 6.952 -0.658 -9.602 81 HG SER 60 HG SER 60 6.693 -2.512 -8.644 82 H CYS 61 H CYS 61 6.290 -4.076 -12.244 83 HA CYS 61 HA CYS 61 3.375 -3.930 -11.701 84 1HB CYS 61 1HB CYS 61 4.290 -4.736 -13.866 85 2HB CYS 61 2HB CYS 61 5.128 -6.032 -13.015 86 H LYS 62 H LYS 62 2.384 -5.122 -10.100 87 HA LYS 62 HA LYS 62 4.028 -7.090 -8.552 88 1HB LYS 62 1HB LYS 62 3.473 -4.527 -7.732 89 2HB LYS 62 2HB LYS 62 2.117 -5.415 -7.037 90 1HG LYS 62 1HG LYS 62 3.670 -5.685 -5.344 91 2HG LYS 62 2HG LYS 62 4.041 -7.106 -6.321 92 1HD LYS 62 1HD LYS 62 5.647 -5.407 -7.578 93 2HD LYS 62 2HD LYS 62 5.571 -4.548 -6.039 94 1HE LYS 62 1HE LYS 62 6.739 -6.185 -4.918 95 2HE LYS 62 2HE LYS 62 6.043 -7.492 -5.897 96 1HZ LYS 62 1HZ LYS 62 7.969 -5.472 -6.918 97 2HZ LYS 62 2HZ LYS 62 8.403 -7.038 -6.431 98 3HZ LYS 62 3HZ LYS 62 7.368 -6.820 -7.760 99 H ASP 63 H ASP 63 2.773 -8.807 -7.650 100 HA ASP 63 HA ASP 63 0.118 -9.187 -8.921 101 1HB ASP 63 1HB ASP 63 0.470 -11.524 -8.165 102 2HB ASP 63 2HB ASP 63 1.863 -10.925 -9.063 103 H GLN 64 H GLN 64 -1.770 -8.998 -7.781 104 HA GLN 64 HA GLN 64 -1.639 -9.003 -4.783 105 1HB GLN 64 1HB GLN 64 -2.862 -7.072 -6.750 106 2HB GLN 64 2HB GLN 64 -3.508 -7.203 -5.114 107 1HG GLN 64 1HG GLN 64 -0.591 -6.680 -5.758 108 2HG GLN 64 2HG GLN 64 -1.758 -5.423 -5.341 109 1HE2 GLN 64 2HE2 GLN 64 0.641 -7.217 -3.954 110 2HE2 GLN 64 1HE2 GLN 64 0.062 -7.299 -2.360 111 H LEU 65 H LEU 65 -2.379 -11.190 -6.584 112 HA LEU 65 HA LEU 65 -4.067 -12.824 -6.782 113 1HB LEU 65 1HB LEU 65 -4.256 -11.632 -4.239 114 2HB LEU 65 2HB LEU 65 -5.913 -11.667 -4.839 115 HG LEU 65 HG LEU 65 -5.382 -13.737 -3.611 116 1HD1 LEU 65 1HD1 LEU 65 -6.807 -13.640 -5.803 117 2HD1 LEU 65 2HD1 LEU 65 -5.454 -14.518 -6.515 118 3HD1 LEU 65 3HD1 LEU 65 -6.339 -15.213 -5.156 119 1HD2 LEU 65 1HD2 LEU 65 -2.881 -13.554 -4.366 120 2HD2 LEU 65 2HD2 LEU 65 -3.594 -15.154 -4.160 121 3HD2 LEU 65 3HD2 LEU 65 -3.419 -14.467 -5.775 122 H GLN 66 H GLN 66 -6.152 -13.106 -7.784 123 HA GLN 66 HA GLN 66 -7.923 -12.504 -9.212 124 1HB GLN 66 1HB GLN 66 -7.888 -10.673 -6.950 125 2HB GLN 66 2HB GLN 66 -8.518 -9.869 -8.388 126 1HG GLN 66 1HG GLN 66 -9.482 -12.609 -7.565 127 2HG GLN 66 2HG GLN 66 -10.211 -11.141 -6.914 128 1HE2 GLN 66 2HE2 GLN 66 -9.935 -13.155 -9.776 129 2HE2 GLN 66 1HE2 GLN 66 -11.015 -12.266 -10.738 130 H SER 67 H SER 67 -6.690 -9.185 -8.806 131 HA SER 67 HA SER 67 -6.023 -9.173 -11.729 132 1HB SER 67 1HB SER 67 -6.638 -6.835 -11.642 133 2HB SER 67 2HB SER 67 -7.895 -7.735 -10.798 134 HG SER 67 HG SER 67 -7.059 -5.834 -9.686 135 H TYR 68 H TYR 68 -4.591 -6.682 -11.577 136 HA TYR 68 HA TYR 68 -2.192 -7.439 -9.941 137 1HB TYR 68 1HB TYR 68 -0.844 -6.673 -11.897 138 2HB TYR 68 2HB TYR 68 -1.888 -8.033 -12.304 139 HD1 TYR 68 HD1 TYR 68 -3.929 -7.696 -13.658 140 HD2 TYR 68 HD2 TYR 68 -1.242 -4.456 -12.804 141 HE1 TYR 68 HE1 TYR 68 -4.992 -6.343 -15.444 142 HE2 TYR 68 HE2 TYR 68 -2.305 -3.104 -14.588 143 HH TYR 68 HH TYR 68 -5.259 -3.986 -16.049 144 H ILE 69 H ILE 69 -0.636 -5.456 -9.866 145 HA ILE 69 HA ILE 69 -2.137 -2.875 -9.770 146 HB ILE 69 HB ILE 69 -2.213 -3.943 -7.545 147 1HG1 ILE 69 1HG1 ILE 69 -0.186 -1.686 -7.579 148 2HG1 ILE 69 2HG1 ILE 69 -1.926 -1.458 -7.760 149 1HG2 ILE 69 1HG2 ILE 69 -0.067 -5.270 -7.962 150 2HG2 ILE 69 2HG2 ILE 69 0.807 -3.805 -7.521 151 3HG2 ILE 69 3HG2 ILE 69 -0.253 -4.586 -6.350 152 1HD1 ILE 69 1HD1 ILE 69 -0.884 -3.021 -5.418 153 2HD1 ILE 69 2HD1 ILE 69 -0.832 -1.259 -5.376 154 3HD1 ILE 69 3HD1 ILE 69 -2.376 -2.091 -5.562 155 H CYS 70 H CYS 70 -0.958 -1.427 -10.940 156 HA CYS 70 HA CYS 70 1.927 -1.923 -11.428 157 1HB CYS 70 1HB CYS 70 -0.254 -0.199 -12.590 158 2HB CYS 70 2HB CYS 70 1.435 0.118 -12.984 159 H PHE 71 H PHE 71 3.516 -0.670 -10.518 160 HA PHE 71 HA PHE 71 2.698 1.514 -8.658 161 1HB PHE 71 1HB PHE 71 5.094 -0.274 -9.043 162 2HB PHE 71 2HB PHE 71 5.228 1.188 -8.066 163 HD1 PHE 71 HD1 PHE 71 3.548 -2.093 -8.385 164 HD2 PHE 71 HD2 PHE 71 4.126 1.379 -5.923 165 HE1 PHE 71 HE1 PHE 71 2.490 -3.271 -6.475 166 HE2 PHE 71 HE2 PHE 71 3.067 0.202 -4.015 167 HZ PHE 71 HZ PHE 71 2.249 -2.124 -4.290 168 H CYS 72 H CYS 72 2.328 3.130 -10.311 169 HA CYS 72 HA CYS 72 4.234 3.808 -12.359 170 1HB CYS 72 1HB CYS 72 2.125 5.516 -10.993 171 2HB CYS 72 2HB CYS 72 2.836 5.819 -12.575 172 H LEU 73 H LEU 73 5.227 6.094 -12.393 173 HA LEU 73 HA LEU 73 7.061 6.368 -10.142 174 1HB LEU 73 1HB LEU 73 6.504 7.726 -12.772 175 2HB LEU 73 2HB LEU 73 7.596 8.497 -11.630 176 HG LEU 73 HG LEU 73 8.849 7.096 -13.216 177 1HD1 LEU 73 1HD1 LEU 73 9.478 7.280 -10.724 178 2HD1 LEU 73 2HD1 LEU 73 8.855 5.638 -10.576 179 3HD1 LEU 73 3HD1 LEU 73 10.214 5.972 -11.648 180 1HD2 LEU 73 1HD2 LEU 73 6.927 5.487 -13.590 181 2HD2 LEU 73 2HD2 LEU 73 8.502 4.721 -13.387 182 3HD2 LEU 73 3HD2 LEU 73 7.350 4.736 -12.051 183 HA PRO 74 HA PRO 74 4.922 9.391 -7.761 184 1HB PRO 74 1HB PRO 74 6.764 11.376 -7.308 185 2HB PRO 74 2HB PRO 74 6.807 9.798 -6.495 186 1HG PRO 74 1HG PRO 74 8.361 10.751 -8.857 187 2HG PRO 74 2HG PRO 74 8.900 9.798 -7.463 188 1HD PRO 74 1HD PRO 74 8.370 8.669 -9.848 189 2HD PRO 74 2HD PRO 74 8.061 7.825 -8.317 190 H ALA 75 H ALA 75 6.202 10.280 -10.843 191 HA ALA 75 HA ALA 75 4.520 12.762 -10.885 192 1HB ALA 75 1HB ALA 75 7.024 12.913 -11.226 193 2HB ALA 75 2HB ALA 75 6.818 11.952 -12.691 194 3HB ALA 75 3HB ALA 75 6.074 13.546 -12.569 195 H PHE 76 H PHE 76 3.767 9.820 -11.411 196 HA PHE 76 HA PHE 76 2.583 10.270 -14.127 197 1HB PHE 76 1HB PHE 76 4.140 7.952 -12.999 198 2HB PHE 76 2HB PHE 76 2.976 7.688 -14.297 199 HD1 PHE 76 HD1 PHE 76 6.031 9.593 -13.347 200 HD2 PHE 76 HD2 PHE 76 3.451 8.328 -16.539 201 HE1 PHE 76 HE1 PHE 76 7.688 10.401 -15.006 202 HE2 PHE 76 HE2 PHE 76 5.107 9.134 -18.198 203 HZ PHE 76 HZ PHE 76 7.225 10.170 -17.433 204 H GLU 77 H GLU 77 0.638 8.871 -14.479 205 HA GLU 77 HA GLU 77 -0.647 7.773 -12.036 206 1HB GLU 77 1HB GLU 77 -1.002 10.389 -12.683 207 2HB GLU 77 2HB GLU 77 -2.296 9.658 -13.634 208 1HG GLU 77 1HG GLU 77 -3.212 8.579 -11.659 209 2HG GLU 77 2HG GLU 77 -1.852 9.133 -10.681 210 H GLY 78 H GLY 78 -2.885 6.838 -12.711 211 1HA GLY 78 1HA GLY 78 -4.267 6.036 -14.619 212 2HA GLY 78 2HA GLY 78 -2.768 5.823 -15.524 213 H ARG 79 H ARG 79 -4.737 3.763 -15.011 214 HA ARG 79 HA ARG 79 -4.036 2.009 -12.865 215 1HB ARG 79 1HB ARG 79 -6.080 1.902 -14.287 216 2HB ARG 79 2HB ARG 79 -5.084 1.378 -15.645 217 1HG ARG 79 1HG ARG 79 -5.667 -0.700 -14.869 218 2HG ARG 79 2HG ARG 79 -4.284 -0.426 -13.810 219 1HD ARG 79 1HD ARG 79 -6.867 0.693 -12.850 220 2HD ARG 79 2HD ARG 79 -6.735 -1.079 -12.853 221 HE ARG 79 HE ARG 79 -4.404 0.364 -11.769 222 1HH1 ARG 79 1HH1 ARG 79 -7.522 -0.980 -10.995 223 2HH1 ARG 79 2HH1 ARG 79 -7.033 -1.480 -9.412 224 1HH2 ARG 79 1HH2 ARG 79 -3.759 -0.421 -9.759 225 2HH2 ARG 79 2HH2 ARG 79 -4.925 -1.166 -8.717 226 H ASN 80 H ASN 80 -2.915 2.086 -16.262 227 HA ASN 80 HA ASN 80 -0.724 0.177 -15.545 228 1HB ASN 80 1HB ASN 80 -2.185 0.976 -18.059 229 2HB ASN 80 2HB ASN 80 -0.623 0.163 -18.160 230 1HD2 ASN 80 2HD2 ASN 80 -0.525 -2.085 -17.591 231 2HD2 ASN 80 1HD2 ASN 80 -1.906 -2.996 -17.211 232 H CYS 81 H CYS 81 -0.773 3.128 -14.954 233 HA CYS 81 HA CYS 81 0.699 4.968 -15.068 234 1HB CYS 81 1HB CYS 81 2.549 2.867 -16.249 235 2HB CYS 81 2HB CYS 81 3.039 4.372 -15.479 236 H GLU 82 H GLU 82 -1.087 5.034 -17.115 237 HA GLU 82 HA GLU 82 0.540 5.595 -19.572 238 1HB GLU 82 1HB GLU 82 -1.617 5.201 -20.754 239 2HB GLU 82 2HB GLU 82 -1.135 3.808 -19.786 240 1HG GLU 82 1HG GLU 82 -2.710 4.332 -18.068 241 2HG GLU 82 2HG GLU 82 -3.002 5.941 -18.729 242 H THR 83 H THR 83 -0.145 7.380 -17.142 243 HA THR 83 HA THR 83 -1.100 9.703 -18.751 244 HB THR 83 HB THR 83 -2.185 8.817 -16.056 245 HG1 THR 83 HG1 THR 83 -3.811 7.995 -17.143 246 1HG2 THR 83 1HG2 THR 83 -2.462 11.276 -17.706 247 2HG2 THR 83 2HG2 THR 83 -3.935 10.653 -16.962 248 3HG2 THR 83 3HG2 THR 83 -2.550 11.079 -15.956 249 H HIS 84 H HIS 84 -0.229 11.690 -18.010 250 HA HIS 84 HA HIS 84 2.028 11.444 -16.083 251 1HB HIS 84 1HB HIS 84 2.235 12.386 -18.430 252 2HB HIS 84 2HB HIS 84 1.229 13.735 -17.902 253 HD1 HIS 84 HD1 HIS 84 4.683 12.721 -18.109 254 HD2 HIS 84 HD2 HIS 84 2.461 15.055 -15.463 255 HE1 HIS 84 HE1 HIS 84 6.351 14.111 -16.804 256 H LYS 85 H LYS 85 1.896 12.356 -14.069 257 HA LYS 85 HA LYS 85 -0.538 13.384 -12.982 258 1HB LYS 85 1HB LYS 85 2.373 13.430 -12.179 259 2HB LYS 85 2HB LYS 85 1.139 14.170 -11.160 260 1HG LYS 85 1HG LYS 85 0.639 11.398 -12.153 261 2HG LYS 85 2HG LYS 85 1.827 11.607 -10.866 262 1HD LYS 85 1HD LYS 85 -0.133 13.177 -9.893 263 2HD LYS 85 2HD LYS 85 -1.117 12.041 -10.817 264 1HE LYS 85 1HE LYS 85 -0.035 10.145 -9.642 265 2HE LYS 85 2HE LYS 85 0.932 11.294 -8.696 266 1HZ LYS 85 1HZ LYS 85 -1.210 12.373 -8.062 267 2HZ LYS 85 2HZ LYS 85 -2.028 11.062 -8.771 268 3HZ LYS 85 3HZ LYS 85 -1.010 10.810 -7.434 269 H ASP 86 H ASP 86 -1.457 15.278 -13.677 270 HA ASP 86 HA ASP 86 0.336 17.617 -14.233 271 1HB ASP 86 1HB ASP 86 -1.565 18.372 -15.656 272 2HB ASP 86 2HB ASP 86 -0.972 16.784 -16.140 273 H ASP 87 H ASP 87 -2.690 16.604 -12.656 274 HA ASP 87 HA ASP 87 -2.399 18.777 -10.674 275 1HB ASP 87 1HB ASP 87 -3.593 19.634 -12.770 276 2HB ASP 87 2HB ASP 87 -4.907 18.533 -12.352 277 H GLY 88 H GLY 88 -3.409 18.224 -8.727 278 1HA GLY 88 1HA GLY 88 -4.510 16.881 -7.150 279 2HA GLY 88 2HA GLY 88 -5.578 16.376 -8.461 280 H SER 89 H SER 89 -5.206 14.328 -6.968 281 HA SER 89 HA SER 89 -3.168 12.653 -8.359 282 1HB SER 89 1HB SER 89 -3.520 12.925 -5.356 283 2HB SER 89 2HB SER 89 -2.420 11.803 -6.152 284 HG SER 89 HG SER 89 -1.363 13.729 -5.539 285 H ALA 90 H ALA 90 -3.528 10.259 -7.518 286 HA ALA 90 HA ALA 90 -6.487 9.766 -7.452 287 1HB ALA 90 1HB ALA 90 -4.770 9.079 -9.375 288 2HB ALA 90 2HB ALA 90 -4.467 7.720 -8.292 289 3HB ALA 90 3HB ALA 90 -6.091 8.006 -8.915 Start of MODEL 17 1 1H SER 45 1H SER 45 -1.440 -19.711 -11.734 2 2H SER 45 2H SER 45 -0.077 -18.753 -11.399 3 3H SER 45 3H SER 45 0.054 -20.444 -11.392 4 HA SER 45 HA SER 45 -1.224 -20.649 -9.420 5 1HB SER 45 1HB SER 45 1.122 -20.050 -9.158 6 2HB SER 45 2HB SER 45 0.750 -18.344 -9.393 7 HG SER 45 HG SER 45 0.679 -19.795 -7.147 8 H ASP 46 H ASP 46 -1.165 -17.280 -10.600 9 HA ASP 46 HA ASP 46 -3.652 -16.751 -9.006 10 1HB ASP 46 1HB ASP 46 -2.870 -14.384 -9.073 11 2HB ASP 46 2HB ASP 46 -1.680 -15.450 -8.327 12 H GLY 47 H GLY 47 -2.019 -16.211 -12.125 13 1HA GLY 47 1HA GLY 47 -3.947 -16.645 -13.942 14 2HA GLY 47 2HA GLY 47 -4.496 -15.098 -13.296 15 H ASP 48 H ASP 48 -4.078 -14.474 -15.644 16 HA ASP 48 HA ASP 48 -1.200 -14.043 -16.276 17 1HB ASP 48 1HB ASP 48 -3.750 -14.391 -17.699 18 2HB ASP 48 2HB ASP 48 -2.759 -13.096 -18.367 19 H GLN 49 H GLN 49 -2.668 -12.481 -14.174 20 HA GLN 49 HA GLN 49 -3.378 -9.869 -15.109 21 1HB GLN 49 1HB GLN 49 -2.318 -10.969 -12.493 22 2HB GLN 49 2HB GLN 49 -2.838 -9.294 -12.677 23 1HG GLN 49 1HG GLN 49 -4.869 -10.141 -12.059 24 2HG GLN 49 2HG GLN 49 -4.972 -10.567 -13.767 25 1HE2 GLN 49 2HE2 GLN 49 -3.163 -12.037 -11.004 26 2HE2 GLN 49 1HE2 GLN 49 -3.774 -13.601 -11.249 27 H CYS 50 H CYS 50 -0.327 -10.951 -13.562 28 HA CYS 50 HA CYS 50 1.063 -8.629 -14.849 29 1HB CYS 50 1HB CYS 50 0.979 -8.795 -12.354 30 2HB CYS 50 2HB CYS 50 1.821 -10.341 -12.458 31 H ALA 51 H ALA 51 0.760 -10.568 -16.663 32 HA ALA 51 HA ALA 51 2.961 -12.538 -16.524 33 1HB ALA 51 1HB ALA 51 0.494 -12.023 -18.069 34 2HB ALA 51 2HB ALA 51 1.807 -12.740 -19.003 35 3HB ALA 51 3HB ALA 51 1.201 -13.558 -17.562 36 H SER 52 H SER 52 1.923 -10.106 -18.959 37 HA SER 52 HA SER 52 4.705 -9.974 -19.991 38 1HB SER 52 1HB SER 52 3.644 -8.887 -21.875 39 2HB SER 52 2HB SER 52 2.634 -10.255 -21.417 40 HG SER 52 HG SER 52 1.108 -8.847 -21.159 41 H SER 53 H SER 53 3.716 -8.684 -17.355 42 HA SER 53 HA SER 53 4.016 -6.647 -16.196 43 1HB SER 53 1HB SER 53 6.308 -7.116 -16.791 44 2HB SER 53 2HB SER 53 6.058 -6.531 -18.433 45 HG SER 53 HG SER 53 6.883 -5.151 -16.385 46 HA PRO 54 HA PRO 54 1.487 -4.264 -19.267 47 1HB PRO 54 1HB PRO 54 -0.578 -3.697 -17.565 48 2HB PRO 54 2HB PRO 54 -0.497 -5.187 -18.527 49 1HG PRO 54 1HG PRO 54 0.143 -4.750 -15.655 50 2HG PRO 54 2HG PRO 54 -0.651 -6.125 -16.439 51 1HD PRO 54 1HD PRO 54 1.963 -6.133 -15.656 52 2HD PRO 54 2HD PRO 54 1.331 -7.119 -16.992 53 H CYS 55 H CYS 55 2.745 -3.654 -16.078 54 HA CYS 55 HA CYS 55 2.052 -0.915 -15.701 55 1HB CYS 55 1HB CYS 55 4.578 -2.424 -14.941 56 2HB CYS 55 2HB CYS 55 4.014 -0.931 -14.194 57 H GLN 56 H GLN 56 2.639 0.852 -16.889 58 HA GLN 56 HA GLN 56 4.913 0.619 -18.813 59 1HB GLN 56 1HB GLN 56 2.304 2.002 -18.634 60 2HB GLN 56 2HB GLN 56 3.597 2.968 -19.344 61 1HG GLN 56 1HG GLN 56 2.614 1.812 -21.173 62 2HG GLN 56 2HG GLN 56 4.098 0.927 -20.816 63 1HE2 GLN 56 1HE2 GLN 56 0.588 0.891 -19.982 64 2HE2 GLN 56 2HE2 GLN 56 0.491 -0.797 -19.836 65 H ASN 57 H ASN 57 5.653 3.183 -19.177 66 HA ASN 57 HA ASN 57 7.080 4.852 -18.321 67 1HB ASN 57 1HB ASN 57 4.835 4.550 -16.340 68 2HB ASN 57 2HB ASN 57 6.116 5.731 -16.054 69 1HD2 ASN 57 2HD2 ASN 57 3.080 5.649 -17.239 70 2HD2 ASN 57 1HD2 ASN 57 3.189 6.820 -18.463 71 H GLY 58 H GLY 58 7.860 2.064 -17.731 72 1HA GLY 58 1HA GLY 58 9.480 0.951 -16.448 73 2HA GLY 58 2HA GLY 58 9.997 2.547 -15.908 74 H GLY 59 H GLY 59 6.812 1.058 -15.430 75 1HA GLY 59 1HA GLY 59 7.077 1.549 -12.525 76 2HA GLY 59 2HA GLY 59 5.594 1.098 -13.366 77 H SER 60 H SER 60 6.687 -0.156 -10.968 78 HA SER 60 HA SER 60 7.727 -2.781 -11.857 79 1HB SER 60 1HB SER 60 8.722 -1.940 -9.884 80 2HB SER 60 2HB SER 60 7.183 -1.372 -9.245 81 HG SER 60 HG SER 60 7.901 -4.092 -9.658 82 H CYS 61 H CYS 61 6.464 -4.624 -11.977 83 HA CYS 61 HA CYS 61 3.536 -4.301 -11.507 84 1HB CYS 61 1HB CYS 61 4.431 -4.955 -13.738 85 2HB CYS 61 2HB CYS 61 5.145 -6.392 -13.007 86 H LYS 62 H LYS 62 2.575 -5.357 -9.838 87 HA LYS 62 HA LYS 62 4.031 -7.644 -8.546 88 1HB LYS 62 1HB LYS 62 2.972 -5.081 -7.530 89 2HB LYS 62 2HB LYS 62 2.506 -6.481 -6.565 90 1HG LYS 62 1HG LYS 62 5.352 -6.335 -7.429 91 2HG LYS 62 2HG LYS 62 4.837 -5.190 -6.189 92 1HD LYS 62 1HD LYS 62 5.407 -6.986 -4.846 93 2HD LYS 62 2HD LYS 62 3.711 -7.366 -5.148 94 1HE LYS 62 1HE LYS 62 4.340 -8.874 -6.981 95 2HE LYS 62 2HE LYS 62 6.050 -8.457 -6.757 96 1HZ LYS 62 1HZ LYS 62 4.275 -9.622 -4.676 97 2HZ LYS 62 2HZ LYS 62 5.468 -10.474 -5.534 98 3HZ LYS 62 3HZ LYS 62 5.910 -9.223 -4.473 99 H ASP 63 H ASP 63 2.718 -9.417 -8.020 100 HA ASP 63 HA ASP 63 0.041 -9.487 -9.247 101 1HB ASP 63 1HB ASP 63 0.224 -11.895 -8.672 102 2HB ASP 63 2HB ASP 63 1.661 -11.321 -9.514 103 H GLN 64 H GLN 64 -1.663 -8.730 -8.064 104 HA GLN 64 HA GLN 64 -1.604 -8.942 -5.089 105 1HB GLN 64 1HB GLN 64 -3.089 -7.317 -7.152 106 2HB GLN 64 2HB GLN 64 -3.693 -7.420 -5.498 107 1HG GLN 64 1HG GLN 64 -1.046 -6.894 -5.051 108 2HG GLN 64 2HG GLN 64 -1.315 -6.015 -6.556 109 1HE2 GLN 64 2HE2 GLN 64 -3.842 -4.988 -6.338 110 2HE2 GLN 64 1HE2 GLN 64 -3.991 -4.008 -4.960 111 H LEU 65 H LEU 65 -2.015 -11.390 -6.415 112 HA LEU 65 HA LEU 65 -3.472 -13.231 -6.461 113 1HB LEU 65 1HB LEU 65 -4.231 -11.483 -4.238 114 2HB LEU 65 2HB LEU 65 -5.592 -12.439 -4.816 115 HG LEU 65 HG LEU 65 -4.379 -13.646 -3.053 116 1HD1 LEU 65 1HD1 LEU 65 -5.235 -14.697 -5.394 117 2HD1 LEU 65 2HD1 LEU 65 -3.539 -15.175 -5.457 118 3HD1 LEU 65 3HD1 LEU 65 -4.546 -15.674 -4.098 119 1HD2 LEU 65 1HD2 LEU 65 -2.061 -12.841 -4.714 120 2HD2 LEU 65 2HD2 LEU 65 -2.157 -13.134 -2.979 121 3HD2 LEU 65 3HD2 LEU 65 -1.999 -14.490 -4.093 122 H GLN 66 H GLN 66 -6.094 -10.877 -5.955 123 HA GLN 66 HA GLN 66 -7.699 -11.861 -8.098 124 1HB GLN 66 1HB GLN 66 -7.605 -9.523 -6.265 125 2HB GLN 66 2HB GLN 66 -8.587 -9.322 -7.716 126 1HG GLN 66 1HG GLN 66 -8.902 -11.891 -6.249 127 2HG GLN 66 2HG GLN 66 -9.548 -10.450 -5.463 128 1HE2 GLN 66 2HE2 GLN 66 -9.388 -11.243 -8.972 129 2HE2 GLN 66 1HE2 GLN 66 -11.064 -11.136 -9.224 130 H SER 67 H SER 67 -6.310 -8.568 -8.021 131 HA SER 67 HA SER 67 -5.853 -8.783 -10.979 132 1HB SER 67 1HB SER 67 -7.589 -7.186 -10.174 133 2HB SER 67 2HB SER 67 -6.365 -6.372 -9.205 134 HG SER 67 HG SER 67 -6.388 -5.261 -11.075 135 H TYR 68 H TYR 68 -4.256 -6.530 -11.283 136 HA TYR 68 HA TYR 68 -1.763 -7.318 -9.813 137 1HB TYR 68 1HB TYR 68 -0.630 -6.369 -11.837 138 2HB TYR 68 2HB TYR 68 -1.714 -7.703 -12.230 139 HD1 TYR 68 HD1 TYR 68 -1.509 -3.974 -12.092 140 HD2 TYR 68 HD2 TYR 68 -3.518 -7.398 -13.732 141 HE1 TYR 68 HE1 TYR 68 -2.769 -2.497 -13.633 142 HE2 TYR 68 HE2 TYR 68 -4.778 -5.921 -15.272 143 HH TYR 68 HH TYR 68 -4.331 -3.538 -16.309 144 H ILE 69 H ILE 69 -0.163 -5.379 -9.726 145 HA ILE 69 HA ILE 69 -1.551 -2.778 -9.287 146 HB ILE 69 HB ILE 69 -1.540 -4.067 -7.169 147 1HG1 ILE 69 1HG1 ILE 69 0.583 -1.987 -6.795 148 2HG1 ILE 69 2HG1 ILE 69 -0.987 -1.488 -7.424 149 1HG2 ILE 69 1HG2 ILE 69 0.717 -5.222 -7.940 150 2HG2 ILE 69 2HG2 ILE 69 1.448 -3.882 -7.060 151 3HG2 ILE 69 3HG2 ILE 69 0.367 -4.997 -6.227 152 1HD1 ILE 69 1HD1 ILE 69 -1.031 -3.309 -5.075 153 2HD1 ILE 69 2HD1 ILE 69 -0.470 -1.661 -4.780 154 3HD1 ILE 69 3HD1 ILE 69 -2.074 -1.939 -5.458 155 H CYS 70 H CYS 70 -0.377 -1.297 -10.435 156 HA CYS 70 HA CYS 70 2.473 -1.853 -11.058 157 1HB CYS 70 1HB CYS 70 0.382 0.106 -12.037 158 2HB CYS 70 2HB CYS 70 2.061 0.171 -12.570 159 H PHE 71 H PHE 71 4.124 -0.709 -10.125 160 HA PHE 71 HA PHE 71 3.413 1.536 -8.269 161 1HB PHE 71 1HB PHE 71 5.576 -0.562 -8.404 162 2HB PHE 71 2HB PHE 71 5.810 0.894 -7.436 163 HD1 PHE 71 HD1 PHE 71 3.567 1.535 -6.015 164 HD2 PHE 71 HD2 PHE 71 4.732 -2.405 -7.267 165 HE1 PHE 71 HE1 PHE 71 2.191 0.552 -4.201 166 HE2 PHE 71 HE2 PHE 71 3.356 -3.388 -5.454 167 HZ PHE 71 HZ PHE 71 2.085 -1.910 -3.920 168 H CYS 72 H CYS 72 3.461 3.224 -9.849 169 HA CYS 72 HA CYS 72 5.988 3.585 -11.397 170 1HB CYS 72 1HB CYS 72 3.219 4.809 -11.558 171 2HB CYS 72 2HB CYS 72 4.545 5.210 -12.650 172 H LEU 73 H LEU 73 5.992 6.274 -11.784 173 HA LEU 73 HA LEU 73 6.992 7.316 -9.242 174 1HB LEU 73 1HB LEU 73 6.990 7.961 -12.115 175 2HB LEU 73 2HB LEU 73 6.940 9.388 -11.080 176 HG LEU 73 HG LEU 73 8.884 8.395 -9.800 177 1HD1 LEU 73 1HD1 LEU 73 8.854 6.492 -12.162 178 2HD1 LEU 73 2HD1 LEU 73 10.184 6.641 -11.016 179 3HD1 LEU 73 3HD1 LEU 73 8.611 6.061 -10.470 180 1HD2 LEU 73 1HD2 LEU 73 9.034 10.117 -11.692 181 2HD2 LEU 73 2HD2 LEU 73 10.506 9.204 -11.356 182 3HD2 LEU 73 3HD2 LEU 73 9.497 8.773 -12.738 183 HA PRO 74 HA PRO 74 3.373 9.387 -7.848 184 1HB PRO 74 1HB PRO 74 4.354 11.775 -6.921 185 2HB PRO 74 2HB PRO 74 4.562 10.234 -6.064 186 1HG PRO 74 1HG PRO 74 6.470 11.673 -7.854 187 2HG PRO 74 2HG PRO 74 6.773 10.859 -6.309 188 1HD PRO 74 1HD PRO 74 7.374 9.703 -8.662 189 2HD PRO 74 2HD PRO 74 6.803 8.756 -7.268 190 H ALA 75 H ALA 75 5.257 10.738 -10.405 191 HA ALA 75 HA ALA 75 3.262 12.873 -10.966 192 1HB ALA 75 1HB ALA 75 5.962 12.820 -11.074 193 2HB ALA 75 2HB ALA 75 5.599 12.330 -12.730 194 3HB ALA 75 3HB ALA 75 4.993 13.867 -12.111 195 H PHE 76 H PHE 76 2.938 9.774 -11.377 196 HA PHE 76 HA PHE 76 2.172 9.929 -14.280 197 1HB PHE 76 1HB PHE 76 3.251 7.676 -12.565 198 2HB PHE 76 2HB PHE 76 2.610 7.427 -14.188 199 HD1 PHE 76 HD1 PHE 76 5.081 9.545 -12.325 200 HD2 PHE 76 HD2 PHE 76 4.030 7.652 -16.034 201 HE1 PHE 76 HE1 PHE 76 7.257 10.230 -13.288 202 HE2 PHE 76 HE2 PHE 76 6.213 8.336 -16.998 203 HZ PHE 76 HZ PHE 76 7.826 9.624 -15.620 204 H GLU 77 H GLU 77 0.270 8.575 -14.837 205 HA GLU 77 HA GLU 77 -1.488 7.766 -12.583 206 1HB GLU 77 1HB GLU 77 -1.607 10.305 -13.589 207 2HB GLU 77 2HB GLU 77 -2.769 9.483 -14.630 208 1HG GLU 77 1HG GLU 77 -4.067 10.198 -12.788 209 2HG GLU 77 2HG GLU 77 -3.739 8.500 -12.441 210 H GLY 78 H GLY 78 -3.571 6.780 -13.527 211 1HA GLY 78 1HA GLY 78 -4.666 5.765 -15.498 212 2HA GLY 78 2HA GLY 78 -3.061 5.524 -16.192 213 H ARG 79 H ARG 79 -5.174 3.513 -15.602 214 HA ARG 79 HA ARG 79 -4.595 1.940 -13.297 215 1HB ARG 79 1HB ARG 79 -6.541 1.699 -14.832 216 2HB ARG 79 2HB ARG 79 -5.460 1.070 -16.077 217 1HG ARG 79 1HG ARG 79 -5.201 -0.954 -15.024 218 2HG ARG 79 2HG ARG 79 -5.331 -0.250 -13.412 219 1HD ARG 79 1HD ARG 79 -7.851 0.218 -14.354 220 2HD ARG 79 2HD ARG 79 -7.465 -1.308 -15.173 221 HE ARG 79 HE ARG 79 -6.732 -1.214 -12.326 222 1HH1 ARG 79 1HH1 ARG 79 -9.349 -1.830 -14.541 223 2HH1 ARG 79 2HH1 ARG 79 -10.011 -3.103 -13.574 224 1HH2 ARG 79 1HH2 ARG 79 -7.537 -2.966 -11.161 225 2HH2 ARG 79 2HH2 ARG 79 -8.997 -3.740 -11.678 226 H ASN 80 H ASN 80 -3.241 1.764 -16.597 227 HA ASN 80 HA ASN 80 -1.123 -0.102 -15.609 228 1HB ASN 80 1HB ASN 80 -2.358 0.594 -18.272 229 2HB ASN 80 2HB ASN 80 -0.798 -0.227 -18.202 230 1HD2 ASN 80 2HD2 ASN 80 -1.813 -2.190 -19.129 231 2HD2 ASN 80 1HD2 ASN 80 -2.788 -3.189 -18.164 232 H CYS 81 H CYS 81 -1.221 2.883 -15.165 233 HA CYS 81 HA CYS 81 0.236 4.732 -15.264 234 1HB CYS 81 1HB CYS 81 1.991 2.324 -15.740 235 2HB CYS 81 2HB CYS 81 2.675 3.945 -15.668 236 H GLU 82 H GLU 82 -1.251 4.706 -17.504 237 HA GLU 82 HA GLU 82 0.648 4.945 -19.807 238 1HB GLU 82 1HB GLU 82 -1.437 4.732 -21.154 239 2HB GLU 82 2HB GLU 82 -1.213 3.365 -20.065 240 1HG GLU 82 1HG GLU 82 -2.720 5.617 -18.889 241 2HG GLU 82 2HG GLU 82 -3.523 4.839 -20.252 242 H THR 83 H THR 83 -0.155 6.975 -17.529 243 HA THR 83 HA THR 83 -0.591 9.265 -19.400 244 HB THR 83 HB THR 83 -2.068 8.741 -16.798 245 HG1 THR 83 HG1 THR 83 -3.799 8.305 -18.112 246 1HG2 THR 83 1HG2 THR 83 -2.348 10.926 -18.880 247 2HG2 THR 83 2HG2 THR 83 -3.420 10.699 -17.500 248 3HG2 THR 83 3HG2 THR 83 -1.729 11.128 -17.241 249 H HIS 84 H HIS 84 0.677 11.027 -18.859 250 HA HIS 84 HA HIS 84 2.371 10.796 -16.407 251 1HB HIS 84 1HB HIS 84 3.355 10.932 -18.730 252 2HB HIS 84 2HB HIS 84 2.673 12.553 -18.861 253 HD1 HIS 84 HD1 HIS 84 5.735 10.987 -18.021 254 HD2 HIS 84 HD2 HIS 84 3.580 14.137 -16.343 255 HE1 HIS 84 HE1 HIS 84 7.373 12.304 -16.608 256 H LYS 85 H LYS 85 1.645 12.017 -14.714 257 HA LYS 85 HA LYS 85 -0.056 14.399 -15.206 258 1HB LYS 85 1HB LYS 85 0.709 12.658 -12.865 259 2HB LYS 85 2HB LYS 85 -0.075 14.216 -12.596 260 1HG LYS 85 1HG LYS 85 -1.205 12.175 -14.517 261 2HG LYS 85 2HG LYS 85 -1.619 12.170 -12.802 262 1HD LYS 85 1HD LYS 85 -1.838 14.732 -14.350 263 2HD LYS 85 2HD LYS 85 -3.110 13.519 -14.506 264 1HE LYS 85 1HE LYS 85 -2.991 13.498 -11.857 265 2HE LYS 85 2HE LYS 85 -2.314 15.122 -12.096 266 1HZ LYS 85 1HZ LYS 85 -4.180 15.619 -13.579 267 2HZ LYS 85 2HZ LYS 85 -4.853 14.093 -13.252 268 3HZ LYS 85 3HZ LYS 85 -4.717 15.242 -12.012 269 H ASP 86 H ASP 86 1.251 16.150 -15.747 270 HA ASP 86 HA ASP 86 3.846 16.600 -14.439 271 1HB ASP 86 1HB ASP 86 2.853 17.123 -16.883 272 2HB ASP 86 2HB ASP 86 2.467 18.658 -16.103 273 H ASP 87 H ASP 87 0.666 18.228 -14.536 274 HA ASP 87 HA ASP 87 -0.331 19.779 -13.077 275 1HB ASP 87 1HB ASP 87 1.521 18.246 -11.226 276 2HB ASP 87 2HB ASP 87 0.272 19.354 -10.657 277 H GLY 88 H GLY 88 2.721 19.841 -11.256 278 1HA GLY 88 1HA GLY 88 3.670 22.273 -12.570 279 2HA GLY 88 2HA GLY 88 2.994 22.559 -10.965 280 H SER 89 H SER 89 3.866 20.872 -9.276 281 HA SER 89 HA SER 89 6.748 20.254 -9.773 282 1HB SER 89 1HB SER 89 5.523 22.247 -7.968 283 2HB SER 89 2HB SER 89 6.735 21.222 -7.205 284 HG SER 89 HG SER 89 7.847 22.882 -8.110 285 H ALA 90 H ALA 90 7.585 19.014 -7.702 286 HA ALA 90 HA ALA 90 5.440 17.115 -6.798 287 1HB ALA 90 1HB ALA 90 8.357 16.662 -7.511 288 2HB ALA 90 2HB ALA 90 7.282 15.417 -6.874 289 3HB ALA 90 3HB ALA 90 6.959 16.139 -8.451 Start of MODEL 18 1 1H SER 45 1H SER 45 -7.521 -20.052 -10.203 2 2H SER 45 2H SER 45 -6.205 -21.124 -10.167 3 3H SER 45 3H SER 45 -7.781 -21.711 -9.948 4 HA SER 45 HA SER 45 -7.984 -20.697 -7.827 5 1HB SER 45 1HB SER 45 -5.199 -21.848 -8.167 6 2HB SER 45 2HB SER 45 -6.187 -21.900 -6.710 7 HG SER 45 HG SER 45 -7.161 -23.578 -7.501 8 H ASP 46 H ASP 46 -4.632 -20.050 -8.932 9 HA ASP 46 HA ASP 46 -4.610 -17.546 -7.324 10 1HB ASP 46 1HB ASP 46 -2.801 -19.256 -7.156 11 2HB ASP 46 2HB ASP 46 -2.438 -19.006 -8.864 12 H GLY 47 H GLY 47 -3.361 -18.471 -10.556 13 1HA GLY 47 1HA GLY 47 -3.532 -17.354 -12.622 14 2HA GLY 47 2HA GLY 47 -4.798 -16.350 -11.915 15 H ASP 48 H ASP 48 -1.627 -16.341 -13.032 16 HA ASP 48 HA ASP 48 -0.755 -14.063 -11.332 17 1HB ASP 48 1HB ASP 48 0.431 -16.168 -13.010 18 2HB ASP 48 2HB ASP 48 1.189 -14.594 -13.241 19 H GLN 49 H GLN 49 -1.490 -12.087 -12.021 20 HA GLN 49 HA GLN 49 -1.983 -11.613 -14.916 21 1HB GLN 49 1HB GLN 49 -2.601 -10.108 -12.356 22 2HB GLN 49 2HB GLN 49 -3.030 -9.516 -13.961 23 1HG GLN 49 1HG GLN 49 -4.983 -10.636 -13.353 24 2HG GLN 49 2HG GLN 49 -4.119 -11.896 -14.235 25 1HE2 GLN 49 1HE2 GLN 49 -5.242 -13.558 -12.925 26 2HE2 GLN 49 2HE2 GLN 49 -4.766 -13.851 -11.322 27 H CYS 50 H CYS 50 0.784 -11.745 -13.623 28 HA CYS 50 HA CYS 50 1.710 -9.005 -14.425 29 1HB CYS 50 1HB CYS 50 1.777 -9.561 -11.967 30 2HB CYS 50 2HB CYS 50 2.890 -10.872 -12.344 31 H ALA 51 H ALA 51 1.448 -11.586 -15.989 32 HA ALA 51 HA ALA 51 4.250 -12.427 -16.436 33 1HB ALA 51 1HB ALA 51 1.938 -13.763 -16.431 34 2HB ALA 51 2HB ALA 51 1.929 -13.275 -18.126 35 3HB ALA 51 3HB ALA 51 3.261 -14.242 -17.493 36 H SER 52 H SER 52 1.765 -10.435 -17.935 37 HA SER 52 HA SER 52 3.323 -10.097 -20.429 38 1HB SER 52 1HB SER 52 0.623 -9.321 -19.361 39 2HB SER 52 2HB SER 52 1.258 -8.504 -20.787 40 HG SER 52 HG SER 52 0.751 -10.216 -21.876 41 H SER 53 H SER 53 2.996 -8.527 -17.352 42 HA SER 53 HA SER 53 3.839 -6.489 -16.518 43 1HB SER 53 1HB SER 53 5.585 -6.765 -18.987 44 2HB SER 53 2HB SER 53 5.962 -5.822 -17.548 45 HG SER 53 HG SER 53 6.951 -7.736 -17.219 46 HA PRO 54 HA PRO 54 1.482 -4.177 -19.860 47 1HB PRO 54 1HB PRO 54 -0.753 -3.592 -18.396 48 2HB PRO 54 2HB PRO 54 -0.591 -5.068 -19.368 49 1HG PRO 54 1HG PRO 54 -0.287 -4.690 -16.435 50 2HG PRO 54 2HG PRO 54 -1.000 -6.039 -17.333 51 1HD PRO 54 1HD PRO 54 1.506 -6.093 -16.244 52 2HD PRO 54 2HD PRO 54 1.017 -7.062 -17.651 53 H CYS 55 H CYS 55 2.731 -3.612 -16.733 54 HA CYS 55 HA CYS 55 1.895 -0.942 -16.172 55 1HB CYS 55 1HB CYS 55 4.558 -2.305 -15.635 56 2HB CYS 55 2HB CYS 55 3.927 -0.907 -14.771 57 H GLN 56 H GLN 56 2.861 1.076 -16.721 58 HA GLN 56 HA GLN 56 4.817 1.003 -18.999 59 1HB GLN 56 1HB GLN 56 2.301 1.532 -19.408 60 2HB GLN 56 2HB GLN 56 2.656 3.076 -18.633 61 1HG GLN 56 1HG GLN 56 3.933 3.819 -20.381 62 2HG GLN 56 2HG GLN 56 4.557 2.209 -20.744 63 1HE2 GLN 56 2HE2 GLN 56 1.171 3.446 -20.576 64 2HE2 GLN 56 1HE2 GLN 56 0.759 2.955 -22.148 65 H ASN 57 H ASN 57 5.772 3.343 -19.271 66 HA ASN 57 HA ASN 57 7.191 4.993 -18.364 67 1HB ASN 57 1HB ASN 57 4.728 4.961 -16.632 68 2HB ASN 57 2HB ASN 57 6.044 6.082 -16.280 69 1HD2 ASN 57 2HD2 ASN 57 3.254 6.617 -17.391 70 2HD2 ASN 57 1HD2 ASN 57 3.525 7.474 -18.831 71 H GLY 58 H GLY 58 8.029 2.403 -17.686 72 1HA GLY 58 1HA GLY 58 9.445 1.290 -16.186 73 2HA GLY 58 2HA GLY 58 9.749 2.871 -15.468 74 H GLY 59 H GLY 59 6.513 1.533 -15.637 75 1HA GLY 59 1HA GLY 59 6.190 1.782 -12.761 76 2HA GLY 59 2HA GLY 59 4.988 1.139 -13.882 77 H SER 60 H SER 60 6.010 0.093 -11.237 78 HA SER 60 HA SER 60 7.382 -2.421 -11.985 79 1HB SER 60 1HB SER 60 7.461 -0.760 -9.825 80 2HB SER 60 2HB SER 60 6.321 -1.974 -9.250 81 HG SER 60 HG SER 60 8.914 -2.436 -10.323 82 H CYS 61 H CYS 61 6.332 -4.368 -12.202 83 HA CYS 61 HA CYS 61 3.372 -4.396 -11.998 84 1HB CYS 61 1HB CYS 61 4.520 -5.165 -14.036 85 2HB CYS 61 2HB CYS 61 5.434 -6.340 -13.095 86 H LYS 62 H LYS 62 2.344 -5.372 -10.311 87 HA LYS 62 HA LYS 62 3.839 -7.388 -8.672 88 1HB LYS 62 1HB LYS 62 3.270 -4.783 -7.937 89 2HB LYS 62 2HB LYS 62 1.910 -5.670 -7.251 90 1HG LYS 62 1HG LYS 62 3.625 -5.666 -5.576 91 2HG LYS 62 2HG LYS 62 3.608 -7.288 -6.269 92 1HD LYS 62 1HD LYS 62 5.437 -6.505 -7.856 93 2HD LYS 62 2HD LYS 62 5.556 -5.049 -6.865 94 1HE LYS 62 1HE LYS 62 6.601 -6.154 -5.153 95 2HE LYS 62 2HE LYS 62 5.601 -7.606 -5.356 96 1HZ LYS 62 1HZ LYS 62 6.804 -7.984 -7.489 97 2HZ LYS 62 2HZ LYS 62 7.876 -6.738 -7.055 98 3HZ LYS 62 3HZ LYS 62 7.781 -8.142 -6.107 99 H ASP 63 H ASP 63 2.589 -9.176 -8.112 100 HA ASP 63 HA ASP 63 -0.050 -9.441 -9.390 101 1HB ASP 63 1HB ASP 63 0.216 -11.793 -8.645 102 2HB ASP 63 2HB ASP 63 1.659 -11.217 -9.476 103 H GLN 64 H GLN 64 -1.975 -9.186 -8.338 104 HA GLN 64 HA GLN 64 -1.998 -9.267 -5.338 105 1HB GLN 64 1HB GLN 64 -3.358 -7.319 -7.232 106 2HB GLN 64 2HB GLN 64 -3.567 -7.333 -5.481 107 1HG GLN 64 1HG GLN 64 -0.900 -6.981 -6.878 108 2HG GLN 64 2HG GLN 64 -1.879 -5.655 -6.249 109 1HE2 GLN 64 2HE2 GLN 64 -2.670 -6.312 -3.788 110 2HE2 GLN 64 1HE2 GLN 64 -1.385 -6.786 -2.785 111 H LEU 65 H LEU 65 -2.727 -11.373 -7.245 112 HA LEU 65 HA LEU 65 -4.462 -12.937 -7.570 113 1HB LEU 65 1HB LEU 65 -4.734 -11.831 -5.009 114 2HB LEU 65 2HB LEU 65 -6.354 -11.721 -5.693 115 HG LEU 65 HG LEU 65 -6.040 -13.868 -4.524 116 1HD1 LEU 65 1HD1 LEU 65 -7.214 -13.528 -6.922 117 2HD1 LEU 65 2HD1 LEU 65 -5.990 -14.713 -7.378 118 3HD1 LEU 65 3HD1 LEU 65 -7.156 -15.093 -6.111 119 1HD2 LEU 65 1HD2 LEU 65 -3.469 -13.775 -5.328 120 2HD2 LEU 65 2HD2 LEU 65 -4.265 -15.284 -4.881 121 3HD2 LEU 65 3HD2 LEU 65 -4.114 -14.837 -6.580 122 H GLN 66 H GLN 66 -6.454 -13.106 -8.744 123 HA GLN 66 HA GLN 66 -8.108 -12.396 -10.259 124 1HB GLN 66 1HB GLN 66 -8.192 -10.669 -7.917 125 2HB GLN 66 2HB GLN 66 -8.699 -9.785 -9.356 126 1HG GLN 66 1HG GLN 66 -10.533 -11.153 -9.720 127 2HG GLN 66 2HG GLN 66 -9.785 -12.542 -8.931 128 1HE2 GLN 66 2HE2 GLN 66 -10.978 -13.019 -7.081 129 2HE2 GLN 66 1HE2 GLN 66 -11.563 -11.870 -5.977 130 H SER 67 H SER 67 -6.831 -9.131 -9.613 131 HA SER 67 HA SER 67 -5.956 -9.005 -12.478 132 1HB SER 67 1HB SER 67 -6.717 -6.784 -10.555 133 2HB SER 67 2HB SER 67 -6.476 -6.632 -12.294 134 HG SER 67 HG SER 67 -8.512 -8.014 -10.891 135 H TYR 68 H TYR 68 -4.475 -6.568 -12.118 136 HA TYR 68 HA TYR 68 -2.244 -7.419 -10.305 137 1HB TYR 68 1HB TYR 68 -0.697 -6.728 -12.142 138 2HB TYR 68 2HB TYR 68 -1.745 -8.064 -12.620 139 HD1 TYR 68 HD1 TYR 68 -3.714 -7.645 -14.098 140 HD2 TYR 68 HD2 TYR 68 -0.871 -4.561 -13.174 141 HE1 TYR 68 HE1 TYR 68 -4.565 -6.292 -15.993 142 HE2 TYR 68 HE2 TYR 68 -1.722 -3.208 -15.066 143 HH TYR 68 HH TYR 68 -3.647 -4.455 -17.497 144 H ILE 69 H ILE 69 -0.614 -5.497 -10.143 145 HA ILE 69 HA ILE 69 -2.025 -2.864 -10.179 146 HB ILE 69 HB ILE 69 -2.243 -3.897 -7.945 147 1HG1 ILE 69 1HG1 ILE 69 -0.157 -1.695 -7.919 148 2HG1 ILE 69 2HG1 ILE 69 -1.881 -1.427 -8.183 149 1HG2 ILE 69 1HG2 ILE 69 -0.173 -5.323 -8.176 150 2HG2 ILE 69 2HG2 ILE 69 0.785 -3.878 -7.854 151 3HG2 ILE 69 3HG2 ILE 69 -0.314 -4.497 -6.625 152 1HD1 ILE 69 1HD1 ILE 69 -2.048 -2.879 -5.936 153 2HD1 ILE 69 2HD1 ILE 69 -0.444 -2.192 -5.686 154 3HD1 ILE 69 3HD1 ILE 69 -1.834 -1.128 -5.901 155 H CYS 70 H CYS 70 -0.726 -1.376 -11.172 156 HA CYS 70 HA CYS 70 2.163 -2.016 -11.531 157 1HB CYS 70 1HB CYS 70 0.161 -0.188 -12.876 158 2HB CYS 70 2HB CYS 70 1.885 -0.112 -13.236 159 H PHE 71 H PHE 71 3.722 -0.762 -10.550 160 HA PHE 71 HA PHE 71 2.846 1.425 -8.744 161 1HB PHE 71 1HB PHE 71 5.320 -0.245 -9.175 162 2HB PHE 71 2HB PHE 71 5.392 1.211 -8.182 163 HD1 PHE 71 HD1 PHE 71 3.654 1.444 -6.281 164 HD2 PHE 71 HD2 PHE 71 4.520 -2.265 -8.268 165 HE1 PHE 71 HE1 PHE 71 2.675 0.194 -4.376 166 HE2 PHE 71 HE2 PHE 71 3.541 -3.515 -6.362 167 HZ PHE 71 HZ PHE 71 2.618 -2.285 -4.417 168 H CYS 72 H CYS 72 2.460 3.179 -10.170 169 HA CYS 72 HA CYS 72 4.308 3.918 -12.294 170 1HB CYS 72 1HB CYS 72 2.105 5.489 -10.912 171 2HB CYS 72 2HB CYS 72 2.812 5.864 -12.480 172 H LEU 73 H LEU 73 5.138 6.297 -12.263 173 HA LEU 73 HA LEU 73 6.940 6.604 -9.976 174 1HB LEU 73 1HB LEU 73 6.394 7.945 -12.617 175 2HB LEU 73 2HB LEU 73 7.424 8.759 -11.445 176 HG LEU 73 HG LEU 73 8.773 7.414 -13.003 177 1HD1 LEU 73 1HD1 LEU 73 9.335 7.623 -10.497 178 2HD1 LEU 73 2HD1 LEU 73 8.776 5.957 -10.360 179 3HD1 LEU 73 3HD1 LEU 73 10.145 6.345 -11.400 180 1HD2 LEU 73 1HD2 LEU 73 6.892 5.724 -13.378 181 2HD2 LEU 73 2HD2 LEU 73 8.517 5.051 -13.230 182 3HD2 LEU 73 3HD2 LEU 73 7.402 4.970 -11.867 183 HA PRO 74 HA PRO 74 4.622 9.529 -7.641 184 1HB PRO 74 1HB PRO 74 6.373 11.581 -7.131 185 2HB PRO 74 2HB PRO 74 6.457 10.002 -6.324 186 1HG PRO 74 1HG PRO 74 8.033 11.028 -8.640 187 2HG PRO 74 2HG PRO 74 8.573 10.087 -7.238 188 1HD PRO 74 1HD PRO 74 8.148 8.954 -9.642 189 2HD PRO 74 2HD PRO 74 7.835 8.088 -8.123 190 H ALA 75 H ALA 75 6.099 10.593 -10.612 191 HA ALA 75 HA ALA 75 4.286 12.971 -10.734 192 1HB ALA 75 1HB ALA 75 6.916 12.164 -11.937 193 2HB ALA 75 2HB ALA 75 5.912 13.331 -12.798 194 3HB ALA 75 3HB ALA 75 6.467 13.683 -11.162 195 H PHE 76 H PHE 76 3.623 10.007 -11.259 196 HA PHE 76 HA PHE 76 2.485 10.413 -14.003 197 1HB PHE 76 1HB PHE 76 4.077 8.141 -12.827 198 2HB PHE 76 2HB PHE 76 2.948 7.841 -14.148 199 HD1 PHE 76 HD1 PHE 76 5.893 9.898 -13.145 200 HD2 PHE 76 HD2 PHE 76 3.494 8.408 -16.381 201 HE1 PHE 76 HE1 PHE 76 7.566 10.737 -14.773 202 HE2 PHE 76 HE2 PHE 76 5.166 9.247 -18.009 203 HZ PHE 76 HZ PHE 76 7.203 10.410 -17.204 204 H GLU 77 H GLU 77 0.596 8.927 -14.387 205 HA GLU 77 HA GLU 77 -0.716 7.839 -11.955 206 1HB GLU 77 1HB GLU 77 -1.142 10.425 -12.655 207 2HB GLU 77 2HB GLU 77 -2.373 9.640 -13.644 208 1HG GLU 77 1HG GLU 77 -3.406 8.638 -11.736 209 2HG GLU 77 2HG GLU 77 -2.043 9.052 -10.697 210 H GLY 78 H GLY 78 -2.964 6.896 -12.710 211 1HA GLY 78 1HA GLY 78 -4.253 5.955 -14.588 212 2HA GLY 78 2HA GLY 78 -2.742 5.823 -15.489 213 H ARG 79 H ARG 79 -4.604 3.662 -14.961 214 HA ARG 79 HA ARG 79 -3.759 1.960 -12.812 215 1HB ARG 79 1HB ARG 79 -5.858 1.783 -14.164 216 2HB ARG 79 2HB ARG 79 -4.890 1.243 -15.538 217 1HG ARG 79 1HG ARG 79 -4.392 -0.803 -14.562 218 2HG ARG 79 2HG ARG 79 -4.590 -0.185 -12.921 219 1HD ARG 79 1HD ARG 79 -7.032 -0.072 -13.233 220 2HD ARG 79 2HD ARG 79 -6.852 -0.655 -14.899 221 HE ARG 79 HE ARG 79 -6.535 -2.819 -14.031 222 1HH1 ARG 79 1HH1 ARG 79 -6.174 -0.467 -11.484 223 2HH1 ARG 79 2HH1 ARG 79 -5.717 -1.652 -10.310 224 1HH2 ARG 79 1HH2 ARG 79 -5.802 -4.314 -12.517 225 2HH2 ARG 79 2HH2 ARG 79 -5.509 -3.809 -10.886 226 H ASN 80 H ASN 80 -2.763 2.116 -16.239 227 HA ASN 80 HA ASN 80 -0.518 0.230 -15.652 228 1HB ASN 80 1HB ASN 80 -1.940 1.187 -18.149 229 2HB ASN 80 2HB ASN 80 -0.454 0.239 -18.222 230 1HD2 ASN 80 2HD2 ASN 80 -1.683 -1.565 -19.212 231 2HD2 ASN 80 1HD2 ASN 80 -2.685 -2.545 -18.255 232 H CYS 81 H CYS 81 -0.622 3.169 -14.936 233 HA CYS 81 HA CYS 81 0.818 5.037 -14.993 234 1HB CYS 81 1HB CYS 81 2.700 2.997 -16.228 235 2HB CYS 81 2HB CYS 81 3.168 4.484 -15.412 236 H GLU 82 H GLU 82 -0.965 5.082 -17.076 237 HA GLU 82 HA GLU 82 0.687 5.817 -19.471 238 1HB GLU 82 1HB GLU 82 -1.400 5.308 -20.733 239 2HB GLU 82 2HB GLU 82 -0.844 3.922 -19.796 240 1HG GLU 82 1HG GLU 82 -2.506 4.260 -18.119 241 2HG GLU 82 2HG GLU 82 -2.888 5.873 -18.719 242 H THR 83 H THR 83 -0.138 7.486 -17.034 243 HA THR 83 HA THR 83 -1.350 9.736 -18.588 244 HB THR 83 HB THR 83 -2.129 8.835 -15.796 245 HG1 THR 83 HG1 THR 83 -3.560 8.664 -18.236 246 1HG2 THR 83 1HG2 THR 83 -2.291 11.327 -16.566 247 2HG2 THR 83 2HG2 THR 83 -3.645 10.755 -17.541 248 3HG2 THR 83 3HG2 THR 83 -3.685 10.581 -15.786 249 H HIS 84 H HIS 84 0.348 11.179 -18.567 250 HA HIS 84 HA HIS 84 2.207 11.376 -16.308 251 1HB HIS 84 1HB HIS 84 2.402 11.769 -18.960 252 2HB HIS 84 2HB HIS 84 2.043 13.426 -18.473 253 HD1 HIS 84 HD1 HIS 84 4.880 12.345 -19.519 254 HD2 HIS 84 HD2 HIS 84 3.838 13.080 -15.550 255 HE1 HIS 84 HE1 HIS 84 7.049 12.726 -18.269 256 H LYS 85 H LYS 85 2.022 12.796 -14.614 257 HA LYS 85 HA LYS 85 -0.344 14.537 -14.433 258 1HB LYS 85 1HB LYS 85 1.923 13.660 -12.649 259 2HB LYS 85 2HB LYS 85 0.842 14.960 -12.145 260 1HG LYS 85 1HG LYS 85 -0.407 12.462 -13.198 261 2HG LYS 85 2HG LYS 85 0.306 12.400 -11.586 262 1HD LYS 85 1HD LYS 85 -1.504 14.684 -12.316 263 2HD LYS 85 2HD LYS 85 -2.202 13.132 -11.856 264 1HE LYS 85 1HE LYS 85 -1.313 13.231 -9.678 265 2HE LYS 85 2HE LYS 85 -0.075 14.417 -10.139 266 1HZ LYS 85 1HZ LYS 85 -1.904 15.972 -10.676 267 2HZ LYS 85 2HZ LYS 85 -3.012 14.859 -10.036 268 3HZ LYS 85 3HZ LYS 85 -1.842 15.568 -9.028 269 H ASP 86 H ASP 86 0.456 16.733 -13.091 270 HA ASP 86 HA ASP 86 2.336 18.109 -14.981 271 1HB ASP 86 1HB ASP 86 0.993 20.128 -14.399 272 2HB ASP 86 2HB ASP 86 -0.009 18.846 -15.077 273 H ASP 87 H ASP 87 1.467 17.603 -11.595 274 HA ASP 87 HA ASP 87 3.517 19.472 -10.598 275 1HB ASP 87 1HB ASP 87 1.120 18.596 -9.688 276 2HB ASP 87 2HB ASP 87 2.186 17.471 -8.843 277 H GLY 88 H GLY 88 5.466 18.483 -11.462 278 1HA GLY 88 1HA GLY 88 6.409 16.199 -9.831 279 2HA GLY 88 2HA GLY 88 6.464 16.006 -11.583 280 H SER 89 H SER 89 8.554 16.259 -12.203 281 HA SER 89 HA SER 89 10.128 18.514 -11.002 282 1HB SER 89 1HB SER 89 10.926 16.222 -10.511 283 2HB SER 89 2HB SER 89 11.007 15.882 -12.237 284 HG SER 89 HG SER 89 13.032 16.528 -11.373 285 H ALA 90 H ALA 90 11.944 19.202 -12.638 286 HA ALA 90 HA ALA 90 10.667 19.578 -15.325 287 1HB ALA 90 1HB ALA 90 11.175 21.503 -13.674 288 2HB ALA 90 2HB ALA 90 12.871 21.227 -14.075 289 3HB ALA 90 3HB ALA 90 11.733 21.704 -15.335 Start of MODEL 19 1 1H SER 45 1H SER 45 1.483 -17.062 -12.880 2 2H SER 45 2H SER 45 2.944 -17.508 -12.138 3 3H SER 45 3H SER 45 1.606 -18.554 -12.082 4 HA SER 45 HA SER 45 1.891 -17.421 -9.952 5 1HB SER 45 1HB SER 45 1.689 -14.944 -9.994 6 2HB SER 45 2HB SER 45 3.061 -15.498 -10.947 7 HG SER 45 HG SER 45 2.000 -15.027 -12.770 8 H ASP 46 H ASP 46 -0.065 -15.577 -9.257 9 HA ASP 46 HA ASP 46 -2.534 -17.080 -9.835 10 1HB ASP 46 1HB ASP 46 -1.829 -14.711 -8.072 11 2HB ASP 46 2HB ASP 46 -3.415 -15.484 -8.096 12 H GLY 47 H GLY 47 -3.484 -16.559 -11.786 13 1HA GLY 47 1HA GLY 47 -4.787 -15.196 -13.222 14 2HA GLY 47 2HA GLY 47 -4.399 -13.809 -12.205 15 H ASP 48 H ASP 48 -4.270 -14.053 -15.160 16 HA ASP 48 HA ASP 48 -1.345 -13.863 -15.698 17 1HB ASP 48 1HB ASP 48 -2.852 -15.268 -17.101 18 2HB ASP 48 2HB ASP 48 -3.769 -13.823 -17.528 19 H GLN 49 H GLN 49 -2.344 -11.744 -14.134 20 HA GLN 49 HA GLN 49 -3.047 -9.470 -15.858 21 1HB GLN 49 1HB GLN 49 -2.327 -9.773 -12.924 22 2HB GLN 49 2HB GLN 49 -2.918 -8.278 -13.652 23 1HG GLN 49 1HG GLN 49 -4.416 -10.912 -13.725 24 2HG GLN 49 2HG GLN 49 -4.727 -9.627 -12.557 25 1HE2 GLN 49 2HE2 GLN 49 -4.931 -10.457 -16.013 26 2HE2 GLN 49 1HE2 GLN 49 -5.974 -9.185 -16.428 27 H CYS 50 H CYS 50 -0.307 -10.151 -13.639 28 HA CYS 50 HA CYS 50 1.353 -8.150 -15.076 29 1HB CYS 50 1HB CYS 50 1.117 -8.280 -12.566 30 2HB CYS 50 2HB CYS 50 1.933 -9.843 -12.626 31 H ALA 51 H ALA 51 0.755 -10.501 -16.584 32 HA ALA 51 HA ALA 51 3.097 -12.299 -16.386 33 1HB ALA 51 1HB ALA 51 0.456 -12.179 -17.755 34 2HB ALA 51 2HB ALA 51 1.722 -13.096 -18.570 35 3HB ALA 51 3HB ALA 51 1.232 -13.532 -16.933 36 H SER 52 H SER 52 1.939 -9.617 -18.350 37 HA SER 52 HA SER 52 4.349 -9.908 -20.119 38 1HB SER 52 1HB SER 52 2.821 -8.493 -21.665 39 2HB SER 52 2HB SER 52 2.393 -10.184 -21.424 40 HG SER 52 HG SER 52 1.116 -7.880 -20.610 41 H SER 53 H SER 53 4.006 -8.447 -17.457 42 HA SER 53 HA SER 53 4.520 -6.350 -16.500 43 1HB SER 53 1HB SER 53 6.550 -5.480 -17.409 44 2HB SER 53 2HB SER 53 6.578 -7.205 -17.749 45 HG SER 53 HG SER 53 6.148 -5.028 -19.466 46 HA PRO 54 HA PRO 54 1.703 -4.040 -19.437 47 1HB PRO 54 1HB PRO 54 -0.351 -3.636 -17.674 48 2HB PRO 54 2HB PRO 54 -0.236 -5.070 -18.714 49 1HG PRO 54 1HG PRO 54 0.444 -4.761 -15.834 50 2HG PRO 54 2HG PRO 54 -0.320 -6.119 -16.675 51 1HD PRO 54 1HD PRO 54 2.306 -6.086 -15.941 52 2HD PRO 54 2HD PRO 54 1.682 -7.014 -17.322 53 H CYS 55 H CYS 55 2.791 -3.571 -16.132 54 HA CYS 55 HA CYS 55 2.110 -0.830 -15.734 55 1HB CYS 55 1HB CYS 55 4.525 -2.423 -14.806 56 2HB CYS 55 2HB CYS 55 3.948 -0.929 -14.072 57 H GLN 56 H GLN 56 2.596 0.679 -17.314 58 HA GLN 56 HA GLN 56 5.074 0.544 -18.888 59 1HB GLN 56 1HB GLN 56 2.883 2.635 -18.675 60 2HB GLN 56 2HB GLN 56 4.091 2.545 -19.954 61 1HG GLN 56 1HG GLN 56 2.710 -0.002 -19.625 62 2HG GLN 56 2HG GLN 56 1.573 1.309 -19.939 63 1HE2 GLN 56 2HE2 GLN 56 1.398 2.018 -22.084 64 2HE2 GLN 56 1HE2 GLN 56 2.461 1.575 -23.331 65 H ASN 57 H ASN 57 5.760 3.212 -19.114 66 HA ASN 57 HA ASN 57 7.143 4.849 -18.139 67 1HB ASN 57 1HB ASN 57 5.421 4.288 -15.706 68 2HB ASN 57 2HB ASN 57 6.268 5.785 -16.078 69 1HD2 ASN 57 2HD2 ASN 57 5.463 5.576 -19.026 70 2HD2 ASN 57 1HD2 ASN 57 3.827 6.022 -19.050 71 H GLY 58 H GLY 58 7.736 1.830 -17.691 72 1HA GLY 58 1HA GLY 58 9.402 0.593 -16.602 73 2HA GLY 58 2HA GLY 58 10.165 2.141 -16.244 74 H GLY 59 H GLY 59 6.942 1.139 -15.182 75 1HA GLY 59 1HA GLY 59 7.709 1.710 -12.396 76 2HA GLY 59 2HA GLY 59 6.082 1.339 -12.967 77 H SER 60 H SER 60 6.986 0.086 -10.683 78 HA SER 60 HA SER 60 8.034 -2.586 -11.405 79 1HB SER 60 1HB SER 60 7.707 -0.880 -9.037 80 2HB SER 60 2HB SER 60 7.330 -2.570 -8.721 81 HG SER 60 HG SER 60 9.367 -3.039 -8.941 82 H CYS 61 H CYS 61 6.624 -4.164 -12.026 83 HA CYS 61 HA CYS 61 3.731 -3.885 -11.491 84 1HB CYS 61 1HB CYS 61 4.682 -4.490 -13.714 85 2HB CYS 61 2HB CYS 61 5.348 -5.960 -13.006 86 H LYS 62 H LYS 62 2.671 -5.025 -9.923 87 HA LYS 62 HA LYS 62 4.044 -7.384 -8.681 88 1HB LYS 62 1HB LYS 62 3.873 -4.919 -7.546 89 2HB LYS 62 2HB LYS 62 2.358 -5.625 -6.983 90 1HG LYS 62 1HG LYS 62 3.707 -6.434 -5.316 91 2HG LYS 62 2HG LYS 62 4.009 -7.703 -6.503 92 1HD LYS 62 1HD LYS 62 6.194 -7.132 -6.093 93 2HD LYS 62 2HD LYS 62 5.848 -5.911 -7.317 94 1HE LYS 62 1HE LYS 62 5.604 -4.196 -5.722 95 2HE LYS 62 2HE LYS 62 5.304 -5.343 -4.401 96 1HZ LYS 62 1HZ LYS 62 7.559 -6.189 -4.679 97 2HZ LYS 62 2HZ LYS 62 7.851 -5.052 -5.908 98 3HZ LYS 62 3HZ LYS 62 7.579 -4.528 -4.317 99 H ASP 63 H ASP 63 2.635 -9.083 -8.136 100 HA ASP 63 HA ASP 63 -0.062 -8.982 -9.326 101 1HB ASP 63 1HB ASP 63 -0.003 -11.407 -8.800 102 2HB ASP 63 2HB ASP 63 1.454 -10.900 -9.651 103 H GLN 64 H GLN 64 -1.928 -8.713 -8.155 104 HA GLN 64 HA GLN 64 -1.732 -8.807 -5.160 105 1HB GLN 64 1HB GLN 64 -3.109 -6.976 -7.118 106 2HB GLN 64 2HB GLN 64 -3.695 -7.104 -5.459 107 1HG GLN 64 1HG GLN 64 -0.766 -6.661 -5.959 108 2HG GLN 64 2HG GLN 64 -1.880 -5.296 -6.057 109 1HE2 GLN 64 1HE2 GLN 64 -3.155 -4.783 -4.074 110 2HE2 GLN 64 2HE2 GLN 64 -2.582 -5.274 -2.553 111 H LEU 65 H LEU 65 -2.427 -11.063 -5.189 112 HA LEU 65 HA LEU 65 -4.028 -12.780 -5.087 113 1HB LEU 65 1HB LEU 65 -5.314 -10.224 -4.415 114 2HB LEU 65 2HB LEU 65 -6.459 -11.441 -4.972 115 HG LEU 65 HG LEU 65 -6.166 -11.559 -2.525 116 1HD1 LEU 65 1HD1 LEU 65 -6.372 -13.641 -4.136 117 2HD1 LEU 65 2HD1 LEU 65 -4.735 -13.978 -3.572 118 3HD1 LEU 65 3HD1 LEU 65 -6.063 -13.879 -2.415 119 1HD2 LEU 65 1HD2 LEU 65 -3.831 -10.699 -2.473 120 2HD2 LEU 65 2HD2 LEU 65 -4.003 -12.202 -1.565 121 3HD2 LEU 65 3HD2 LEU 65 -3.274 -12.221 -3.171 122 H GLN 66 H GLN 66 -6.272 -10.592 -6.768 123 HA GLN 66 HA GLN 66 -6.274 -12.505 -9.068 124 1HB GLN 66 1HB GLN 66 -8.251 -10.707 -7.707 125 2HB GLN 66 2HB GLN 66 -8.507 -11.103 -9.407 126 1HG GLN 66 1HG GLN 66 -8.687 -13.414 -8.967 127 2HG GLN 66 2HG GLN 66 -7.930 -13.261 -7.381 128 1HE2 GLN 66 2HE2 GLN 66 -10.625 -11.364 -8.842 129 2HE2 GLN 66 1HE2 GLN 66 -11.735 -11.713 -7.606 130 H SER 67 H SER 67 -6.904 -9.009 -8.576 131 HA SER 67 HA SER 67 -6.134 -8.324 -11.297 132 1HB SER 67 1HB SER 67 -6.575 -6.058 -10.513 133 2HB SER 67 2HB SER 67 -7.797 -7.131 -9.838 134 HG SER 67 HG SER 67 -7.105 -6.584 -7.940 135 H TYR 68 H TYR 68 -4.569 -6.017 -10.891 136 HA TYR 68 HA TYR 68 -2.049 -7.039 -9.640 137 1HB TYR 68 1HB TYR 68 -0.854 -6.234 -11.678 138 2HB TYR 68 2HB TYR 68 -2.005 -7.518 -12.044 139 HD1 TYR 68 HD1 TYR 68 -4.253 -6.932 -13.020 140 HD2 TYR 68 HD2 TYR 68 -1.108 -4.038 -12.584 141 HE1 TYR 68 HE1 TYR 68 -5.405 -5.438 -14.630 142 HE2 TYR 68 HE2 TYR 68 -2.260 -2.544 -14.192 143 HH TYR 68 HH TYR 68 -4.689 -3.555 -16.223 144 H ILE 69 H ILE 69 -0.376 -5.136 -9.669 145 HA ILE 69 HA ILE 69 -1.660 -2.472 -9.345 146 HB ILE 69 HB ILE 69 -1.803 -3.633 -7.171 147 1HG1 ILE 69 1HG1 ILE 69 0.474 -1.735 -6.771 148 2HG1 ILE 69 2HG1 ILE 69 -0.992 -1.117 -7.530 149 1HG2 ILE 69 1HG2 ILE 69 0.238 -5.103 -7.706 150 2HG2 ILE 69 2HG2 ILE 69 1.217 -3.743 -7.158 151 3HG2 ILE 69 3HG2 ILE 69 0.091 -4.524 -6.047 152 1HD1 ILE 69 1HD1 ILE 69 -2.105 -2.491 -5.493 153 2HD1 ILE 69 2HD1 ILE 69 -0.561 -2.077 -4.750 154 3HD1 ILE 69 3HD1 ILE 69 -1.621 -0.801 -5.347 155 H CYS 70 H CYS 70 -0.374 -1.106 -10.510 156 HA CYS 70 HA CYS 70 2.435 -1.834 -11.081 157 1HB CYS 70 1HB CYS 70 0.524 0.329 -12.005 158 2HB CYS 70 2HB CYS 70 2.195 0.228 -12.560 159 H PHE 71 H PHE 71 4.170 -0.845 -10.124 160 HA PHE 71 HA PHE 71 3.645 1.314 -8.127 161 1HB PHE 71 1HB PHE 71 5.762 -0.785 -8.589 162 2HB PHE 71 2HB PHE 71 6.087 0.588 -7.530 163 HD1 PHE 71 HD1 PHE 71 4.613 1.000 -5.536 164 HD2 PHE 71 HD2 PHE 71 4.335 -2.574 -7.902 165 HE1 PHE 71 HE1 PHE 71 3.365 -0.114 -3.705 166 HE2 PHE 71 HE2 PHE 71 3.086 -3.689 -6.072 167 HZ PHE 71 HZ PHE 71 2.601 -2.459 -3.974 168 H CYS 72 H CYS 72 3.435 2.596 -10.342 169 HA CYS 72 HA CYS 72 5.960 3.272 -11.672 170 1HB CYS 72 1HB CYS 72 3.131 4.354 -11.800 171 2HB CYS 72 2HB CYS 72 4.425 4.832 -12.901 172 H LEU 73 H LEU 73 6.282 5.790 -11.968 173 HA LEU 73 HA LEU 73 7.132 6.909 -9.482 174 1HB LEU 73 1HB LEU 73 6.934 7.636 -12.326 175 2HB LEU 73 2HB LEU 73 6.841 9.028 -11.247 176 HG LEU 73 HG LEU 73 8.911 8.150 -10.093 177 1HD1 LEU 73 1HD1 LEU 73 8.916 6.302 -12.501 178 2HD1 LEU 73 2HD1 LEU 73 10.261 6.502 -11.379 179 3HD1 LEU 73 3HD1 LEU 73 8.739 5.812 -10.816 180 1HD2 LEU 73 1HD2 LEU 73 8.771 9.864 -12.069 181 2HD2 LEU 73 2HD2 LEU 73 10.344 9.203 -11.625 182 3HD2 LEU 73 3HD2 LEU 73 9.479 8.559 -13.021 183 HA PRO 74 HA PRO 74 3.458 8.677 -7.830 184 1HB PRO 74 1HB PRO 74 4.378 11.026 -6.753 185 2HB PRO 74 2HB PRO 74 4.671 9.435 -6.021 186 1HG PRO 74 1HG PRO 74 6.466 11.080 -7.748 187 2HG PRO 74 2HG PRO 74 6.847 10.162 -6.281 188 1HD PRO 74 1HD PRO 74 7.416 9.219 -8.737 189 2HD PRO 74 2HD PRO 74 6.934 8.144 -7.403 190 H ALA 75 H ALA 75 5.250 10.327 -10.292 191 HA ALA 75 HA ALA 75 3.179 12.421 -10.654 192 1HB ALA 75 1HB ALA 75 5.948 11.821 -11.604 193 2HB ALA 75 2HB ALA 75 4.931 12.827 -12.636 194 3HB ALA 75 3HB ALA 75 5.281 13.331 -10.983 195 H PHE 76 H PHE 76 2.942 9.326 -11.280 196 HA PHE 76 HA PHE 76 1.992 9.683 -14.109 197 1HB PHE 76 1HB PHE 76 3.262 7.342 -12.662 198 2HB PHE 76 2HB PHE 76 2.546 7.212 -14.268 199 HD1 PHE 76 HD1 PHE 76 5.043 9.219 -12.330 200 HD2 PHE 76 HD2 PHE 76 3.830 7.717 -16.164 201 HE1 PHE 76 HE1 PHE 76 7.139 10.083 -13.330 202 HE2 PHE 76 HE2 PHE 76 5.929 8.576 -17.165 203 HZ PHE 76 HZ PHE 76 7.585 9.761 -15.745 204 H GLU 77 H GLU 77 0.114 8.299 -14.665 205 HA GLU 77 HA GLU 77 -1.459 7.216 -12.389 206 1HB GLU 77 1HB GLU 77 -1.748 9.819 -13.119 207 2HB GLU 77 2HB GLU 77 -2.914 9.060 -14.205 208 1HG GLU 77 1HG GLU 77 -4.260 9.364 -12.349 209 2HG GLU 77 2HG GLU 77 -3.605 7.768 -11.980 210 H GLY 78 H GLY 78 -3.579 6.248 -13.309 211 1HA GLY 78 1HA GLY 78 -4.740 5.367 -15.307 212 2HA GLY 78 2HA GLY 78 -3.164 5.230 -16.089 213 H ARG 79 H ARG 79 -5.193 3.116 -15.576 214 HA ARG 79 HA ARG 79 -4.465 1.382 -13.434 215 1HB ARG 79 1HB ARG 79 -6.362 1.415 -15.331 216 2HB ARG 79 2HB ARG 79 -5.257 0.272 -16.095 217 1HG ARG 79 1HG ARG 79 -5.480 -1.298 -14.388 218 2HG ARG 79 2HG ARG 79 -5.955 -0.085 -13.198 219 1HD ARG 79 1HD ARG 79 -7.685 -0.862 -15.573 220 2HD ARG 79 2HD ARG 79 -7.873 -1.543 -13.945 221 HE ARG 79 HE ARG 79 -7.769 1.347 -13.847 222 1HH1 ARG 79 1HH1 ARG 79 -9.846 -1.428 -14.220 223 2HH1 ARG 79 2HH1 ARG 79 -11.294 -0.503 -14.028 224 1HH2 ARG 79 1HH2 ARG 79 -9.673 2.539 -13.738 225 2HH2 ARG 79 2HH2 ARG 79 -11.200 1.720 -13.756 226 H ASN 80 H ASN 80 -3.282 1.496 -16.805 227 HA ASN 80 HA ASN 80 -1.085 -0.398 -16.086 228 1HB ASN 80 1HB ASN 80 -2.298 0.614 -18.675 229 2HB ASN 80 2HB ASN 80 -0.856 -0.401 -18.630 230 1HD2 ASN 80 2HD2 ASN 80 -1.428 -2.275 -16.681 231 2HD2 ASN 80 1HD2 ASN 80 -2.821 -3.155 -17.086 232 H CYS 81 H CYS 81 -1.231 2.543 -15.356 233 HA CYS 81 HA CYS 81 0.191 4.419 -15.322 234 1HB CYS 81 1HB CYS 81 2.002 2.123 -16.089 235 2HB CYS 81 2HB CYS 81 2.627 3.741 -15.790 236 H GLU 82 H GLU 82 -1.356 4.464 -17.575 237 HA GLU 82 HA GLU 82 0.539 5.089 -19.813 238 1HB GLU 82 1HB GLU 82 -1.473 4.720 -21.238 239 2HB GLU 82 2HB GLU 82 -1.093 3.307 -20.255 240 1HG GLU 82 1HG GLU 82 -2.853 3.782 -18.713 241 2HG GLU 82 2HG GLU 82 -3.075 5.409 -19.358 242 H THR 83 H THR 83 -0.390 6.834 -17.447 243 HA THR 83 HA THR 83 -1.238 9.166 -19.115 244 HB THR 83 HB THR 83 -2.465 8.284 -16.481 245 HG1 THR 83 HG1 THR 83 -3.358 6.986 -17.930 246 1HG2 THR 83 1HG2 THR 83 -2.335 10.783 -17.026 247 2HG2 THR 83 2HG2 THR 83 -3.430 10.438 -18.365 248 3HG2 THR 83 3HG2 THR 83 -3.943 10.135 -16.705 249 H HIS 84 H HIS 84 0.574 10.445 -18.842 250 HA HIS 84 HA HIS 84 2.057 10.518 -16.306 251 1HB HIS 84 1HB HIS 84 2.875 10.699 -18.779 252 2HB HIS 84 2HB HIS 84 2.374 12.386 -18.654 253 HD1 HIS 84 HD1 HIS 84 5.401 11.329 -18.853 254 HD2 HIS 84 HD2 HIS 84 3.456 12.589 -15.388 255 HE1 HIS 84 HE1 HIS 84 7.214 12.020 -17.225 256 H LYS 85 H LYS 85 1.633 11.943 -14.670 257 HA LYS 85 HA LYS 85 -0.486 13.957 -14.964 258 1HB LYS 85 1HB LYS 85 1.353 13.080 -12.717 259 2HB LYS 85 2HB LYS 85 0.070 14.272 -12.516 260 1HG LYS 85 1HG LYS 85 -0.567 11.602 -13.737 261 2HG LYS 85 2HG LYS 85 -0.425 11.748 -11.985 262 1HD LYS 85 1HD LYS 85 -2.209 13.503 -13.697 263 2HD LYS 85 2HD LYS 85 -2.768 12.078 -12.818 264 1HE LYS 85 1HE LYS 85 -1.718 13.206 -10.724 265 2HE LYS 85 2HE LYS 85 -1.744 14.689 -11.699 266 1HZ LYS 85 1HZ LYS 85 -4.100 14.177 -12.218 267 2HZ LYS 85 2HZ LYS 85 -4.044 12.912 -11.085 268 3HZ LYS 85 3HZ LYS 85 -3.831 14.516 -10.576 269 H ASP 86 H ASP 86 -0.120 16.084 -15.442 270 HA ASP 86 HA ASP 86 2.667 17.159 -15.120 271 1HB ASP 86 1HB ASP 86 1.490 16.634 -17.461 272 2HB ASP 86 2HB ASP 86 0.756 18.211 -17.169 273 H ASP 87 H ASP 87 0.318 17.290 -13.257 274 HA ASP 87 HA ASP 87 -0.180 20.250 -13.293 275 1HB ASP 87 1HB ASP 87 -1.754 17.836 -12.398 276 2HB ASP 87 2HB ASP 87 -2.145 19.443 -11.783 277 H GLY 88 H GLY 88 -0.351 17.707 -10.783 278 1HA GLY 88 1HA GLY 88 1.389 17.578 -9.007 279 2HA GLY 88 2HA GLY 88 1.542 19.332 -9.130 280 H SER 89 H SER 89 1.042 19.541 -6.863 281 HA SER 89 HA SER 89 -1.688 18.732 -5.995 282 1HB SER 89 1HB SER 89 -0.757 19.449 -3.768 283 2HB SER 89 2HB SER 89 0.198 18.195 -4.554 284 HG SER 89 HG SER 89 1.455 19.965 -3.736 285 H ALA 90 H ALA 90 0.310 21.657 -5.458 286 HA ALA 90 HA ALA 90 -2.167 23.314 -5.654 287 1HB ALA 90 1HB ALA 90 -0.239 23.171 -3.757 288 2HB ALA 90 2HB ALA 90 0.450 24.431 -4.782 289 3HB ALA 90 3HB ALA 90 -1.152 24.646 -4.077 Start of MODEL 20 1 1H SER 45 1H SER 45 1.014 -15.003 -8.676 2 2H SER 45 2H SER 45 2.276 -16.134 -8.723 3 3H SER 45 3H SER 45 1.030 -16.205 -9.876 4 HA SER 45 HA SER 45 0.700 -17.928 -8.215 5 1HB SER 45 1HB SER 45 0.349 -17.079 -5.855 6 2HB SER 45 2HB SER 45 1.989 -16.870 -6.461 7 HG SER 45 HG SER 45 1.686 -14.755 -6.587 8 H ASP 46 H ASP 46 -1.442 -18.563 -8.161 9 HA ASP 46 HA ASP 46 -3.781 -18.435 -8.470 10 1HB ASP 46 1HB ASP 46 -3.380 -17.422 -6.193 11 2HB ASP 46 2HB ASP 46 -3.389 -15.834 -6.960 12 H GLY 47 H GLY 47 -2.425 -17.572 -10.735 13 1HA GLY 47 1HA GLY 47 -3.736 -16.570 -12.647 14 2HA GLY 47 2HA GLY 47 -4.009 -15.180 -11.595 15 H ASP 48 H ASP 48 -2.855 -14.690 -14.022 16 HA ASP 48 HA ASP 48 -0.091 -13.883 -13.243 17 1HB ASP 48 1HB ASP 48 -0.527 -16.113 -14.711 18 2HB ASP 48 2HB ASP 48 -0.508 -14.914 -16.005 19 H GLN 49 H GLN 49 -1.383 -11.798 -13.097 20 HA GLN 49 HA GLN 49 -2.370 -10.627 -15.609 21 1HB GLN 49 1HB GLN 49 -1.974 -9.589 -12.783 22 2HB GLN 49 2HB GLN 49 -2.776 -8.684 -14.066 23 1HG GLN 49 1HG GLN 49 -3.651 -11.423 -13.105 24 2HG GLN 49 2HG GLN 49 -4.382 -9.904 -12.583 25 1HE2 GLN 49 2HE2 GLN 49 -3.936 -12.040 -15.398 26 2HE2 GLN 49 1HE2 GLN 49 -5.171 -11.344 -16.332 27 H CYS 50 H CYS 50 0.557 -10.543 -13.661 28 HA CYS 50 HA CYS 50 1.661 -8.257 -15.212 29 1HB CYS 50 1HB CYS 50 2.577 -9.875 -12.815 30 2HB CYS 50 2HB CYS 50 3.517 -8.555 -13.514 31 H ALA 51 H ALA 51 1.199 -10.924 -16.483 32 HA ALA 51 HA ALA 51 3.909 -12.060 -16.823 33 1HB ALA 51 1HB ALA 51 1.385 -13.083 -16.760 34 2HB ALA 51 2HB ALA 51 1.630 -12.940 -18.501 35 3HB ALA 51 3HB ALA 51 2.745 -13.899 -17.528 36 H SER 52 H SER 52 2.820 -9.285 -17.962 37 HA SER 52 HA SER 52 4.172 -9.608 -20.586 38 1HB SER 52 1HB SER 52 2.181 -8.473 -21.663 39 2HB SER 52 2HB SER 52 1.860 -10.102 -21.075 40 HG SER 52 HG SER 52 1.052 -7.616 -20.057 41 H SER 53 H SER 53 4.377 -8.039 -17.870 42 HA SER 53 HA SER 53 5.017 -5.872 -17.178 43 1HB SER 53 1HB SER 53 5.844 -5.783 -20.098 44 2HB SER 53 2HB SER 53 6.512 -4.796 -18.801 45 HG SER 53 HG SER 53 7.664 -6.814 -19.426 46 HA PRO 54 HA PRO 54 1.325 -3.991 -19.429 47 1HB PRO 54 1HB PRO 54 -0.422 -3.940 -17.325 48 2HB PRO 54 2HB PRO 54 -0.298 -5.311 -18.445 49 1HG PRO 54 1HG PRO 54 0.823 -4.996 -15.708 50 2HG PRO 54 2HG PRO 54 0.123 -6.424 -16.485 51 1HD PRO 54 1HD PRO 54 2.807 -6.022 -16.197 52 2HD PRO 54 2HD PRO 54 2.090 -7.000 -17.495 53 H CYS 55 H CYS 55 2.896 -3.472 -16.329 54 HA CYS 55 HA CYS 55 1.914 -0.823 -15.778 55 1HB CYS 55 1HB CYS 55 4.531 -2.189 -15.061 56 2HB CYS 55 2HB CYS 55 3.878 -0.760 -14.262 57 H GLN 56 H GLN 56 2.325 1.005 -16.926 58 HA GLN 56 HA GLN 56 4.544 1.061 -18.895 59 1HB GLN 56 1HB GLN 56 1.957 2.413 -18.384 60 2HB GLN 56 2HB GLN 56 3.205 3.438 -19.089 61 1HG GLN 56 1HG GLN 56 3.410 1.076 -20.553 62 2HG GLN 56 2HG GLN 56 1.672 1.260 -20.310 63 1HE2 GLN 56 2HE2 GLN 56 0.612 3.102 -21.294 64 2HE2 GLN 56 1HE2 GLN 56 1.398 4.091 -22.427 65 H ASN 57 H ASN 57 5.181 3.719 -18.975 66 HA ASN 57 HA ASN 57 6.650 5.292 -18.002 67 1HB ASN 57 1HB ASN 57 4.935 4.615 -15.589 68 2HB ASN 57 2HB ASN 57 5.871 6.091 -15.812 69 1HD2 ASN 57 2HD2 ASN 57 5.127 6.280 -18.746 70 2HD2 ASN 57 1HD2 ASN 57 3.508 6.781 -18.758 71 H GLY 58 H GLY 58 7.285 2.294 -17.740 72 1HA GLY 58 1HA GLY 58 9.026 1.034 -16.798 73 2HA GLY 58 2HA GLY 58 9.714 2.562 -16.251 74 H GLY 59 H GLY 59 6.590 1.063 -15.423 75 1HA GLY 59 1HA GLY 59 7.306 1.372 -12.552 76 2HA GLY 59 2HA GLY 59 5.672 1.163 -13.178 77 H SER 60 H SER 60 6.521 -0.442 -11.092 78 HA SER 60 HA SER 60 7.330 -3.054 -12.272 79 1HB SER 60 1HB SER 60 8.119 -1.769 -10.049 80 2HB SER 60 2HB SER 60 6.749 -2.643 -9.371 81 HG SER 60 HG SER 60 9.115 -3.587 -9.740 82 H CYS 61 H CYS 61 5.961 -4.888 -12.139 83 HA CYS 61 HA CYS 61 3.083 -4.289 -11.556 84 1HB CYS 61 1HB CYS 61 4.026 -5.034 -13.862 85 2HB CYS 61 2HB CYS 61 4.186 -6.624 -13.118 86 H LYS 62 H LYS 62 2.058 -5.453 -9.962 87 HA LYS 62 HA LYS 62 3.506 -7.798 -8.769 88 1HB LYS 62 1HB LYS 62 2.456 -5.264 -7.632 89 2HB LYS 62 2HB LYS 62 2.125 -6.715 -6.684 90 1HG LYS 62 1HG LYS 62 4.889 -6.398 -7.754 91 2HG LYS 62 2HG LYS 62 4.416 -5.340 -6.425 92 1HD LYS 62 1HD LYS 62 3.587 -7.437 -5.226 93 2HD LYS 62 2HD LYS 62 4.427 -8.363 -6.470 94 1HE LYS 62 1HE LYS 62 6.538 -7.694 -5.736 95 2HE LYS 62 2HE LYS 62 5.920 -6.193 -5.017 96 1HZ LYS 62 1HZ LYS 62 4.639 -7.620 -3.449 97 2HZ LYS 62 2HZ LYS 62 5.490 -8.964 -4.038 98 3HZ LYS 62 3HZ LYS 62 6.323 -7.713 -3.246 99 H ASP 63 H ASP 63 2.219 -9.596 -8.465 100 HA ASP 63 HA ASP 63 -0.504 -9.599 -9.527 101 1HB ASP 63 1HB ASP 63 -0.340 -12.016 -8.963 102 2HB ASP 63 2HB ASP 63 1.083 -11.457 -9.841 103 H GLN 64 H GLN 64 -2.204 -8.897 -8.308 104 HA GLN 64 HA GLN 64 -2.088 -9.244 -5.333 105 1HB GLN 64 1HB GLN 64 -3.351 -7.267 -7.226 106 2HB GLN 64 2HB GLN 64 -3.955 -7.429 -5.577 107 1HG GLN 64 1HG GLN 64 -1.004 -7.128 -6.031 108 2HG GLN 64 2HG GLN 64 -2.037 -5.700 -6.103 109 1HE2 GLN 64 2HE2 GLN 64 -0.005 -6.614 -3.989 110 2HE2 GLN 64 1HE2 GLN 64 -0.875 -6.574 -2.532 111 H LEU 65 H LEU 65 -2.982 -11.358 -5.215 112 HA LEU 65 HA LEU 65 -4.683 -12.976 -5.137 113 1HB LEU 65 1HB LEU 65 -5.869 -10.322 -4.770 114 2HB LEU 65 2HB LEU 65 -7.029 -11.483 -5.409 115 HG LEU 65 HG LEU 65 -7.038 -11.478 -2.940 116 1HD1 LEU 65 1HD1 LEU 65 -6.396 -13.826 -4.593 117 2HD1 LEU 65 2HD1 LEU 65 -6.049 -14.054 -2.879 118 3HD1 LEU 65 3HD1 LEU 65 -7.673 -13.604 -3.399 119 1HD2 LEU 65 1HD2 LEU 65 -4.453 -10.923 -2.974 120 2HD2 LEU 65 2HD2 LEU 65 -5.143 -11.840 -1.635 121 3HD2 LEU 65 3HD2 LEU 65 -4.287 -12.680 -2.928 122 H GLN 66 H GLN 66 -6.581 -10.807 -7.225 123 HA GLN 66 HA GLN 66 -6.299 -12.826 -9.428 124 1HB GLN 66 1HB GLN 66 -8.501 -12.620 -8.165 125 2HB GLN 66 2HB GLN 66 -8.641 -10.995 -8.836 126 1HG GLN 66 1HG GLN 66 -8.076 -13.268 -10.703 127 2HG GLN 66 2HG GLN 66 -9.719 -13.066 -10.092 128 1HE2 GLN 66 2HE2 GLN 66 -10.196 -10.402 -10.074 129 2HE2 GLN 66 1HE2 GLN 66 -9.941 -9.700 -11.598 130 H SER 67 H SER 67 -6.853 -9.376 -8.695 131 HA SER 67 HA SER 67 -6.346 -8.544 -11.465 132 1HB SER 67 1HB SER 67 -6.848 -6.359 -10.577 133 2HB SER 67 2HB SER 67 -7.935 -7.491 -9.778 134 HG SER 67 HG SER 67 -6.784 -7.327 -7.954 135 H TYR 68 H TYR 68 -4.806 -6.190 -10.864 136 HA TYR 68 HA TYR 68 -2.211 -7.254 -9.840 137 1HB TYR 68 1HB TYR 68 -1.117 -6.360 -11.900 138 2HB TYR 68 2HB TYR 68 -2.268 -7.645 -12.259 139 HD1 TYR 68 HD1 TYR 68 -1.880 -3.933 -12.144 140 HD2 TYR 68 HD2 TYR 68 -4.123 -7.258 -13.682 141 HE1 TYR 68 HE1 TYR 68 -3.125 -2.401 -13.643 142 HE2 TYR 68 HE2 TYR 68 -5.368 -5.726 -15.180 143 HH TYR 68 HH TYR 68 -5.938 -3.391 -15.359 144 H ILE 69 H ILE 69 -0.568 -5.372 -9.768 145 HA ILE 69 HA ILE 69 -1.842 -2.712 -9.354 146 HB ILE 69 HB ILE 69 -1.954 -3.954 -7.221 147 1HG1 ILE 69 1HG1 ILE 69 0.309 -2.085 -6.722 148 2HG1 ILE 69 2HG1 ILE 69 -1.105 -1.418 -7.539 149 1HG2 ILE 69 1HG2 ILE 69 0.242 -5.269 -7.950 150 2HG2 ILE 69 2HG2 ILE 69 1.032 -3.991 -7.025 151 3HG2 ILE 69 3HG2 ILE 69 -0.155 -5.038 -6.247 152 1HD1 ILE 69 1HD1 ILE 69 -1.643 -3.146 -5.181 153 2HD1 ILE 69 2HD1 ILE 69 -0.917 -1.573 -4.850 154 3HD1 ILE 69 3HD1 ILE 69 -2.456 -1.671 -5.705 155 H CYS 70 H CYS 70 -0.579 -1.351 -10.555 156 HA CYS 70 HA CYS 70 2.232 -2.047 -11.141 157 1HB CYS 70 1HB CYS 70 0.220 0.005 -12.065 158 2HB CYS 70 2HB CYS 70 1.917 0.125 -12.534 159 H PHE 71 H PHE 71 3.975 -1.036 -10.219 160 HA PHE 71 HA PHE 71 3.451 1.102 -8.196 161 1HB PHE 71 1HB PHE 71 5.569 -0.996 -8.665 162 2HB PHE 71 2HB PHE 71 5.886 0.369 -7.594 163 HD1 PHE 71 HD1 PHE 71 4.363 0.778 -5.622 164 HD2 PHE 71 HD2 PHE 71 4.178 -2.807 -7.982 165 HE1 PHE 71 HE1 PHE 71 3.107 -0.352 -3.807 166 HE2 PHE 71 HE2 PHE 71 2.922 -3.937 -6.167 167 HZ PHE 71 HZ PHE 71 2.386 -2.710 -4.079 168 H CYS 72 H CYS 72 3.372 2.864 -9.741 169 HA CYS 72 HA CYS 72 5.860 3.361 -11.321 170 1HB CYS 72 1HB CYS 72 3.065 4.542 -11.387 171 2HB CYS 72 2HB CYS 72 4.367 4.994 -12.488 172 H LEU 73 H LEU 73 6.292 5.857 -11.492 173 HA LEU 73 HA LEU 73 6.910 6.846 -8.820 174 1HB LEU 73 1HB LEU 73 7.109 8.060 -11.600 175 2HB LEU 73 2HB LEU 73 7.861 8.736 -10.158 176 HG LEU 73 HG LEU 73 8.370 5.883 -10.912 177 1HD1 LEU 73 1HD1 LEU 73 9.232 8.274 -12.390 178 2HD1 LEU 73 2HD1 LEU 73 10.564 7.234 -11.888 179 3HD1 LEU 73 3HD1 LEU 73 9.261 6.578 -12.876 180 1HD2 LEU 73 1HD2 LEU 73 9.559 7.986 -9.166 181 2HD2 LEU 73 2HD2 LEU 73 9.365 6.258 -8.867 182 3HD2 LEU 73 3HD2 LEU 73 10.671 6.832 -9.903 183 HA PRO 74 HA PRO 74 3.389 9.401 -8.142 184 1HB PRO 74 1HB PRO 74 4.461 11.738 -7.189 185 2HB PRO 74 2HB PRO 74 4.364 10.248 -6.229 186 1HG PRO 74 1HG PRO 74 6.677 11.382 -7.731 187 2HG PRO 74 2HG PRO 74 6.635 10.623 -6.130 188 1HD PRO 74 1HD PRO 74 7.479 9.306 -8.328 189 2HD PRO 74 2HD PRO 74 6.640 8.486 -6.993 190 H ALA 75 H ALA 75 5.762 10.267 -10.478 191 HA ALA 75 HA ALA 75 4.337 12.681 -11.416 192 1HB ALA 75 1HB ALA 75 6.858 12.313 -11.348 193 2HB ALA 75 2HB ALA 75 6.640 11.165 -12.668 194 3HB ALA 75 3HB ALA 75 6.221 12.862 -12.898 195 H PHE 76 H PHE 76 3.519 9.520 -11.633 196 HA PHE 76 HA PHE 76 2.651 9.741 -14.500 197 1HB PHE 76 1HB PHE 76 3.503 7.409 -12.767 198 2HB PHE 76 2HB PHE 76 2.688 7.186 -14.317 199 HD1 PHE 76 HD1 PHE 76 3.724 8.891 -16.219 200 HD2 PHE 76 HD2 PHE 76 5.813 7.234 -12.853 201 HE1 PHE 76 HE1 PHE 76 5.883 9.220 -17.395 202 HE2 PHE 76 HE2 PHE 76 7.971 7.563 -14.029 203 HZ PHE 76 HZ PHE 76 8.006 8.555 -16.298 204 H GLU 77 H GLU 77 0.562 8.581 -14.935 205 HA GLU 77 HA GLU 77 -1.207 8.199 -12.572 206 1HB GLU 77 1HB GLU 77 -1.041 10.617 -13.870 207 2HB GLU 77 2HB GLU 77 -2.361 9.840 -14.743 208 1HG GLU 77 1HG GLU 77 -2.423 9.605 -11.779 209 2HG GLU 77 2HG GLU 77 -2.740 11.207 -12.446 210 H GLY 78 H GLY 78 -3.404 7.358 -13.351 211 1HA GLY 78 1HA GLY 78 -4.712 6.252 -15.100 212 2HA GLY 78 2HA GLY 78 -3.203 5.888 -15.939 213 H ARG 79 H ARG 79 -5.299 3.997 -15.096 214 HA ARG 79 HA ARG 79 -4.608 2.520 -12.755 215 1HB ARG 79 1HB ARG 79 -6.677 2.287 -14.124 216 2HB ARG 79 2HB ARG 79 -5.721 1.554 -15.412 217 1HG ARG 79 1HG ARG 79 -5.186 -0.346 -14.072 218 2HG ARG 79 2HG ARG 79 -5.761 0.439 -12.601 219 1HD ARG 79 1HD ARG 79 -7.667 0.016 -14.899 220 2HD ARG 79 2HD ARG 79 -7.328 -1.310 -13.767 221 HE ARG 79 HE ARG 79 -7.792 0.683 -12.018 222 1HH1 ARG 79 1HH1 ARG 79 -9.598 -0.497 -14.752 223 2HH1 ARG 79 2HH1 ARG 79 -11.065 0.267 -14.250 224 1HH2 ARG 79 1HH2 ARG 79 -9.680 1.778 -11.464 225 2HH2 ARG 79 2HH2 ARG 79 -11.115 1.543 -12.406 226 H ASN 80 H ASN 80 -3.479 2.188 -16.123 227 HA ASN 80 HA ASN 80 -1.399 0.240 -15.216 228 1HB ASN 80 1HB ASN 80 -2.770 0.920 -17.815 229 2HB ASN 80 2HB ASN 80 -1.250 0.024 -17.819 230 1HD2 ASN 80 2HD2 ASN 80 -1.232 -2.092 -16.649 231 2HD2 ASN 80 1HD2 ASN 80 -2.686 -2.936 -16.418 232 H CYS 81 H CYS 81 -1.316 3.236 -14.857 233 HA CYS 81 HA CYS 81 0.225 5.004 -15.112 234 1HB CYS 81 1HB CYS 81 1.935 2.596 -15.807 235 2HB CYS 81 2HB CYS 81 2.570 4.191 -15.411 236 H GLU 82 H GLU 82 -1.419 4.868 -17.300 237 HA GLU 82 HA GLU 82 0.379 4.997 -19.690 238 1HB GLU 82 1HB GLU 82 -1.770 4.773 -20.931 239 2HB GLU 82 2HB GLU 82 -1.522 3.447 -19.798 240 1HG GLU 82 1HG GLU 82 -2.930 5.772 -18.642 241 2HG GLU 82 2HG GLU 82 -3.809 4.969 -19.943 242 H THR 83 H THR 83 -0.217 7.138 -17.485 243 HA THR 83 HA THR 83 -0.742 9.356 -19.417 244 HB THR 83 HB THR 83 -2.047 8.973 -16.701 245 HG1 THR 83 HG1 THR 83 -3.881 8.546 -17.887 246 1HG2 THR 83 1HG2 THR 83 -2.150 11.146 -18.786 247 2HG2 THR 83 2HG2 THR 83 -3.486 10.899 -17.662 248 3HG2 THR 83 3HG2 THR 83 -1.882 11.299 -17.050 249 H HIS 84 H HIS 84 1.223 10.407 -19.290 250 HA HIS 84 HA HIS 84 2.752 10.545 -16.784 251 1HB HIS 84 1HB HIS 84 3.543 10.334 -19.259 252 2HB HIS 84 2HB HIS 84 3.275 12.076 -19.330 253 HD1 HIS 84 HD1 HIS 84 6.143 10.871 -19.535 254 HD2 HIS 84 HD2 HIS 84 4.423 12.239 -15.993 255 HE1 HIS 84 HE1 HIS 84 8.060 11.424 -17.975 256 H LYS 85 H LYS 85 1.873 11.935 -15.266 257 HA LYS 85 HA LYS 85 0.547 14.441 -16.049 258 1HB LYS 85 1HB LYS 85 1.157 12.936 -13.510 259 2HB LYS 85 2HB LYS 85 0.537 14.586 -13.437 260 1HG LYS 85 1HG LYS 85 -0.842 12.569 -15.184 261 2HG LYS 85 2HG LYS 85 -1.150 12.569 -13.447 262 1HD LYS 85 1HD LYS 85 -1.275 15.160 -14.957 263 2HD LYS 85 2HD LYS 85 -2.643 14.048 -15.032 264 1HE LYS 85 1HE LYS 85 -3.237 14.436 -12.854 265 2HE LYS 85 2HE LYS 85 -1.549 14.531 -12.312 266 1HZ LYS 85 1HZ LYS 85 -1.400 16.662 -13.568 267 2HZ LYS 85 2HZ LYS 85 -3.079 16.598 -13.796 268 3HZ LYS 85 3HZ LYS 85 -2.439 16.723 -12.227 269 H ASP 86 H ASP 86 3.624 13.427 -14.597 270 HA ASP 86 HA ASP 86 5.594 14.638 -14.110 271 1HB ASP 86 1HB ASP 86 4.347 15.768 -16.561 272 2HB ASP 86 2HB ASP 86 5.624 16.738 -15.828 273 H ASP 87 H ASP 87 3.032 15.401 -12.694 274 HA ASP 87 HA ASP 87 2.271 17.070 -11.204 275 1HB ASP 87 1HB ASP 87 5.233 17.688 -11.438 276 2HB ASP 87 2HB ASP 87 4.180 18.365 -10.196 277 H GLY 88 H GLY 88 2.287 17.667 -14.165 278 1HA GLY 88 1HA GLY 88 2.163 20.645 -13.929 279 2HA GLY 88 2HA GLY 88 2.875 19.882 -15.352 280 H SER 89 H SER 89 1.522 19.487 -17.032 281 HA SER 89 HA SER 89 -1.393 19.897 -16.640 282 1HB SER 89 1HB SER 89 0.380 20.776 -18.488 283 2HB SER 89 2HB SER 89 -0.188 19.318 -19.298 284 HG SER 89 HG SER 89 -1.399 21.665 -19.087 285 H ALA 90 H ALA 90 -2.910 18.265 -17.029 286 HA ALA 90 HA ALA 90 -1.927 15.489 -17.014 287 1HB ALA 90 1HB ALA 90 -3.838 16.514 -15.644 288 2HB ALA 90 2HB ALA 90 -4.772 16.518 -17.140 289 3HB ALA 90 3HB ALA 90 -4.204 14.993 -16.460
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