NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26448 | 2kk8 | 16355 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 24.961 28.577 -0.019 2 H2 MET 1 2H MET 1 26.164 29.768 0.070 3 H3 MET 1 3H MET 1 25.043 29.602 1.330 4 HA MET 1 HA MET 1 27.051 27.576 0.550 5 HB2 MET 1 2HB MET 1 26.942 29.500 2.878 6 HB3 MET 1 1HB MET 1 28.040 28.129 2.795 7 HG2 MET 1 2HG MET 1 29.042 29.079 0.766 8 HG3 MET 1 1HG MET 1 27.963 30.468 0.899 9 HE1 MET 1 3HE MET 1 31.454 31.962 1.866 10 HE2 MET 1 1HE MET 1 30.036 32.132 0.830 11 HE3 MET 1 2HE MET 1 31.097 30.737 0.647 12 H GLY 2 H GLY 2 26.066 25.685 0.799 13 HA2 GLY 2 2HA GLY 2 25.126 23.912 1.936 14 HA3 GLY 2 1HA GLY 2 25.115 24.909 3.384 15 H HIS 3 H HIS 3 23.052 23.887 3.772 16 HA HIS 3 HA HIS 3 20.802 23.880 3.901 17 HB2 HIS 3 2HB HIS 3 21.270 26.604 2.761 18 HB3 HIS 3 1HB HIS 3 19.623 25.996 2.897 19 HD1 HIS 3 HD1 HIS 3 21.762 28.084 4.682 20 HD2 HIS 3 HD2 HIS 3 19.390 24.846 5.781 21 HE1 HIS 3 HE1 HIS 3 21.371 28.331 7.153 22 HE2 HIS 3 HE2 HIS 3 20.066 26.278 7.825 23 H HIS 4 H HIS 4 20.372 22.123 2.686 24 HA HIS 4 HA HIS 4 19.140 22.691 0.091 25 HB2 HIS 4 2HB HIS 4 21.310 21.690 -0.423 26 HB3 HIS 4 1HB HIS 4 20.987 20.363 0.688 27 HD1 HIS 4 HD1 HIS 4 20.245 18.299 -0.443 28 HD2 HIS 4 HD2 HIS 4 19.187 21.702 -2.596 29 HE1 HIS 4 HE1 HIS 4 19.114 17.460 -2.532 30 HE2 HIS 4 HE2 HIS 4 18.453 19.530 -3.806 31 H HIS 5 H HIS 5 17.052 22.308 0.447 32 HA HIS 5 HA HIS 5 16.223 20.530 2.571 33 HB2 HIS 5 2HB HIS 5 15.163 22.807 1.884 34 HB3 HIS 5 1HB HIS 5 14.367 21.874 0.625 35 HD1 HIS 5 HD1 HIS 5 13.388 23.298 3.511 36 HD2 HIS 5 HD2 HIS 5 13.305 19.319 2.301 37 HE1 HIS 5 HE1 HIS 5 11.629 22.194 4.930 38 HE2 HIS 5 HE2 HIS 5 11.467 19.842 4.053 39 H HIS 6 H HIS 6 16.366 18.432 2.125 40 HA HIS 6 HA HIS 6 15.594 17.524 -0.553 41 HB2 HIS 6 2HB HIS 6 16.683 15.405 -0.024 42 HB3 HIS 6 1HB HIS 6 17.785 16.747 0.236 43 HD1 HIS 6 HD1 HIS 6 16.055 13.967 1.964 44 HD2 HIS 6 HD2 HIS 6 18.483 17.191 2.955 45 HE1 HIS 6 HE1 HIS 6 16.849 13.521 4.310 46 HE2 HIS 6 HE2 HIS 6 18.486 15.372 4.801 47 H HIS 7 H HIS 7 13.714 16.665 -0.908 48 HA HIS 7 HA HIS 7 11.955 16.083 1.359 49 HB2 HIS 7 2HB HIS 7 11.102 17.657 -0.273 50 HB3 HIS 7 1HB HIS 7 11.442 16.545 -1.590 51 HD1 HIS 7 HD1 HIS 7 9.037 17.076 1.268 52 HD2 HIS 7 HD2 HIS 7 9.456 14.733 -2.144 53 HE1 HIS 7 HE1 HIS 7 6.810 15.943 0.939 54 HE2 HIS 7 HE2 HIS 7 7.017 14.776 -1.289 55 H HIS 8 H HIS 8 11.146 14.059 1.751 56 HA HIS 8 HA HIS 8 12.140 11.939 -0.021 57 HB2 HIS 8 2HB HIS 8 11.617 10.372 1.880 58 HB3 HIS 8 1HB HIS 8 12.911 11.520 2.180 59 HD1 HIS 8 HD1 HIS 8 12.755 12.845 4.272 60 HD2 HIS 8 HD2 HIS 8 9.128 11.074 3.270 61 HE1 HIS 8 HE1 HIS 8 11.237 13.251 6.233 62 HE2 HIS 8 HE2 HIS 8 9.146 11.946 5.708 63 H SER 9 H SER 9 10.805 11.208 -1.453 64 HA SER 9 HA SER 9 7.929 11.481 -1.049 65 HB2 SER 9 2HB SER 9 9.483 10.643 -3.512 66 HB3 SER 9 1HB SER 9 7.750 10.965 -3.442 67 HG SER 9 HG SER 9 8.549 12.849 -4.102 68 H HIS 10 H HIS 10 10.415 9.106 -0.992 69 HA HIS 10 HA HIS 10 8.836 6.833 -1.529 70 HB2 HIS 10 2HB HIS 10 10.649 5.573 -0.266 71 HB3 HIS 10 1HB HIS 10 11.168 6.489 -1.670 72 HD1 HIS 10 HD1 HIS 10 13.462 7.295 -1.176 73 HD2 HIS 10 HD2 HIS 10 10.963 7.645 2.134 74 HE1 HIS 10 HE1 HIS 10 14.845 8.393 0.612 75 HE2 HIS 10 HE2 HIS 10 13.353 8.478 2.644 76 H MET 11 H MET 11 7.159 6.156 -0.465 77 HA MET 11 HA MET 11 7.085 6.536 2.456 78 HB2 MET 11 2HB MET 11 4.868 6.695 0.417 79 HB3 MET 11 1HB MET 11 4.555 6.503 2.137 80 HG2 MET 11 2HG MET 11 6.068 8.788 0.895 81 HG3 MET 11 1HG MET 11 4.371 8.830 1.370 82 HE1 MET 11 3HE MET 11 4.774 10.981 2.867 83 HE2 MET 11 1HE MET 11 6.464 10.981 2.363 84 HE3 MET 11 2HE MET 11 6.056 11.102 4.074 85 H LYS 12 H LYS 12 7.277 4.675 3.495 86 HA LYS 12 HA LYS 12 6.240 2.255 2.217 87 HB2 LYS 12 2HB LYS 12 8.180 2.667 4.481 88 HB3 LYS 12 1HB LYS 12 7.399 1.112 4.213 89 HG2 LYS 12 2HG LYS 12 8.282 1.280 1.825 90 HG3 LYS 12 1HG LYS 12 9.311 2.578 2.428 91 HD2 LYS 12 2HD LYS 12 9.237 -0.127 3.736 92 HD3 LYS 12 1HD LYS 12 10.287 0.215 2.362 93 HE2 LYS 12 2HE LYS 12 10.283 1.701 4.987 94 HE3 LYS 12 1HE LYS 12 11.453 0.473 4.506 95 HZ1 LYS 12 3HZ LYS 12 11.082 3.188 3.403 96 HZ2 LYS 12 1HZ LYS 12 11.884 1.988 2.516 97 HZ3 LYS 12 2HZ LYS 12 12.490 2.479 4.019 98 H PHE 13 H PHE 13 4.093 2.418 2.535 99 HA PHE 13 HA PHE 13 3.093 2.830 5.237 100 HB2 PHE 13 2HB PHE 13 0.865 2.854 4.210 101 HB3 PHE 13 1HB PHE 13 1.936 3.985 3.397 102 HD1 PHE 13 HD1 PHE 13 2.982 3.253 1.188 103 HD2 PHE 13 HD2 PHE 13 -0.277 1.210 3.019 104 HE1 PHE 13 HE1 PHE 13 2.412 2.227 -0.973 105 HE2 PHE 13 HE2 PHE 13 -0.846 0.180 0.861 106 HZ PHE 13 HZ PHE 13 0.502 0.687 -1.139 107 H LEU 14 H LEU 14 1.995 1.268 6.402 108 HA LEU 14 HA LEU 14 2.909 -1.398 5.812 109 HB2 LEU 14 2HB LEU 14 2.942 -0.493 8.110 110 HB3 LEU 14 1HB LEU 14 1.192 -0.397 8.084 111 HG LEU 14 HG LEU 14 1.091 -2.864 7.826 112 HD11 LEU 14 1HD1 LEU 14 3.277 -3.191 6.787 113 HD12 LEU 14 2HD1 LEU 14 3.097 -4.185 8.233 114 HD13 LEU 14 3HD1 LEU 14 4.066 -2.712 8.291 115 HD21 LEU 14 3HD2 LEU 14 2.629 -1.858 10.212 116 HD22 LEU 14 1HD2 LEU 14 1.743 -3.381 10.132 117 HD23 LEU 14 2HD2 LEU 14 0.877 -1.849 10.019 118 H VAL 15 H VAL 15 1.836 -2.354 4.196 119 HA VAL 15 HA VAL 15 -1.003 -2.177 3.878 120 HB VAL 15 HB VAL 15 0.864 -4.258 2.712 121 HG11 VAL 15 1HG1 VAL 15 -1.843 -3.289 1.810 122 HG12 VAL 15 2HG1 VAL 15 -1.487 -4.849 2.551 123 HG13 VAL 15 3HG1 VAL 15 -0.831 -4.458 0.960 124 HG21 VAL 15 3HG2 VAL 15 0.069 -1.575 1.588 125 HG22 VAL 15 1HG2 VAL 15 0.969 -2.820 0.723 126 HG23 VAL 15 2HG2 VAL 15 1.678 -2.046 2.141 127 H GLU 16 H GLU 16 -1.893 -2.774 5.839 128 HA GLU 16 HA GLU 16 -1.125 -5.292 7.044 129 HB2 GLU 16 2HB GLU 16 -1.524 -3.204 8.369 130 HB3 GLU 16 1HB GLU 16 -3.226 -3.321 7.950 131 HG2 GLU 16 2HG GLU 16 -3.513 -5.279 9.207 132 HG3 GLU 16 1HG GLU 16 -1.774 -5.539 9.349 133 H ASN 17 H ASN 17 -1.845 -6.657 5.356 134 HA ASN 17 HA ASN 17 -4.672 -6.854 4.805 135 HB2 ASN 17 2HB ASN 17 -3.125 -7.421 3.030 136 HB3 ASN 17 1HB ASN 17 -2.337 -8.623 4.048 137 HD21 ASN 17 1HD2 ASN 17 -2.734 -10.176 2.444 138 HD22 ASN 17 2HD2 ASN 17 -4.300 -10.886 2.244 139 H LEU 18 H LEU 18 -6.012 -7.677 6.234 140 HA LEU 18 HA LEU 18 -5.114 -8.928 8.593 141 HB2 LEU 18 2HB LEU 18 -7.234 -7.564 8.218 142 HB3 LEU 18 1HB LEU 18 -7.932 -9.024 7.543 143 HG LEU 18 HG LEU 18 -7.483 -10.173 9.717 144 HD11 LEU 18 1HD1 LEU 18 -7.012 -8.792 11.679 145 HD12 LEU 18 2HD1 LEU 18 -6.814 -7.379 10.640 146 HD13 LEU 18 3HD1 LEU 18 -5.689 -8.732 10.516 147 HD21 LEU 18 3HD2 LEU 18 -9.688 -9.292 9.195 148 HD22 LEU 18 1HD2 LEU 18 -9.225 -7.714 9.835 149 HD23 LEU 18 2HD2 LEU 18 -9.332 -9.105 10.913 150 H ASN 19 H ASN 19 -6.181 -10.190 5.528 151 HA ASN 19 HA ASN 19 -6.397 -12.896 6.631 152 HB2 ASN 19 2HB ASN 19 -6.934 -11.985 3.800 153 HB3 ASN 19 1HB ASN 19 -7.395 -13.520 4.525 154 HD21 ASN 19 1HD2 ASN 19 -9.100 -13.552 6.036 155 HD22 ASN 19 2HD2 ASN 19 -10.250 -12.265 6.121 156 H GLY 20 H GLY 20 -3.917 -11.098 5.828 157 HA2 GLY 20 2HA GLY 20 -2.429 -13.358 4.705 158 HA3 GLY 20 1HA GLY 20 -2.372 -11.825 3.849 159 H SER 21 H SER 21 -0.586 -10.735 4.242 160 HA SER 21 HA SER 21 0.551 -10.813 6.953 161 HB2 SER 21 2HB SER 21 2.200 -10.855 4.417 162 HB3 SER 21 1HB SER 21 2.767 -11.075 6.072 163 HG SER 21 HG SER 21 1.068 -12.824 4.599 164 H SER 22 H SER 22 1.271 -8.877 7.731 165 HA SER 22 HA SER 22 0.686 -6.481 6.283 166 HB2 SER 22 2HB SER 22 2.263 -6.861 8.843 167 HB3 SER 22 1HB SER 22 1.609 -5.336 8.246 168 HG SER 22 HG SER 22 0.240 -6.254 9.805 169 H PHE 23 H PHE 23 1.980 -5.389 4.922 170 HA PHE 23 HA PHE 23 4.878 -5.844 5.043 171 HB2 PHE 23 2HB PHE 23 4.015 -7.372 3.344 172 HB3 PHE 23 1HB PHE 23 3.185 -6.043 2.542 173 HD1 PHE 23 HD1 PHE 23 6.561 -7.264 3.489 174 HD2 PHE 23 HD2 PHE 23 4.254 -4.815 0.882 175 HE1 PHE 23 HE1 PHE 23 8.559 -6.856 2.108 176 HE2 PHE 23 HE2 PHE 23 6.245 -4.404 -0.502 177 HZ PHE 23 HZ PHE 23 8.400 -5.425 0.111 178 H GLU 24 H GLU 24 6.014 -4.011 4.906 179 HA GLU 24 HA GLU 24 4.643 -1.515 4.422 180 HB2 GLU 24 2HB GLU 24 7.565 -2.094 4.932 181 HB3 GLU 24 1HB GLU 24 6.858 -0.488 4.845 182 HG2 GLU 24 2HG GLU 24 5.428 -1.058 6.775 183 HG3 GLU 24 1HG GLU 24 6.258 -2.611 6.886 184 H LEU 25 H LEU 25 4.076 -1.263 2.330 185 HA LEU 25 HA LEU 25 5.902 -1.987 0.205 186 HB2 LEU 25 2HB LEU 25 3.395 -2.313 0.115 187 HB3 LEU 25 1HB LEU 25 3.246 -0.573 -0.024 188 HG LEU 25 HG LEU 25 4.907 -2.094 -2.004 189 HD11 LEU 25 1HD1 LEU 25 1.921 -1.707 -2.111 190 HD12 LEU 25 2HD1 LEU 25 2.765 -3.245 -1.921 191 HD13 LEU 25 3HD1 LEU 25 2.932 -2.326 -3.417 192 HD21 LEU 25 3HD2 LEU 25 4.258 -0.262 -3.476 193 HD22 LEU 25 1HD2 LEU 25 5.014 0.354 -2.006 194 HD23 LEU 25 2HD2 LEU 25 3.262 0.429 -2.196 195 H GLU 26 H GLU 26 7.367 -0.671 -0.612 196 HA GLU 26 HA GLU 26 7.401 2.113 0.199 197 HB2 GLU 26 2HB GLU 26 9.437 0.631 0.243 198 HB3 GLU 26 1HB GLU 26 9.402 0.639 -1.515 199 HG2 GLU 26 2HG GLU 26 9.798 2.994 -1.577 200 HG3 GLU 26 1HG GLU 26 9.626 3.117 0.175 201 H VAL 27 H VAL 27 5.949 3.254 -0.935 202 HA VAL 27 HA VAL 27 6.016 3.048 -3.875 203 HB VAL 27 HB VAL 27 3.838 2.525 -2.710 204 HG11 VAL 27 1HG1 VAL 27 2.491 4.402 -1.889 205 HG12 VAL 27 2HG1 VAL 27 3.875 5.476 -2.099 206 HG13 VAL 27 3HG1 VAL 27 3.950 4.161 -0.926 207 HG21 VAL 27 3HG2 VAL 27 3.870 3.138 -5.052 208 HG22 VAL 27 1HG2 VAL 27 3.838 4.850 -4.625 209 HG23 VAL 27 2HG2 VAL 27 2.449 3.826 -4.264 210 H ASP 28 H ASP 28 5.846 5.050 -5.079 211 HA ASP 28 HA ASP 28 6.982 7.344 -3.629 212 HB2 ASP 28 2HB ASP 28 8.171 6.409 -5.674 213 HB3 ASP 28 1HB ASP 28 6.801 6.964 -6.629 214 H TYR 29 H TYR 29 6.084 9.449 -4.038 215 HA TYR 29 HA TYR 29 3.306 9.616 -3.913 216 HB2 TYR 29 2HB TYR 29 5.513 11.562 -4.332 217 HB3 TYR 29 1HB TYR 29 3.885 12.095 -4.725 218 HD1 TYR 29 HD1 TYR 29 2.179 12.255 -2.980 219 HD2 TYR 29 HD2 TYR 29 6.198 11.232 -2.042 220 HE1 TYR 29 HE1 TYR 29 1.754 12.793 -0.621 221 HE2 TYR 29 HE2 TYR 29 5.786 11.768 0.324 222 HH TYR 29 HH TYR 29 4.243 13.147 1.661 223 H ARG 30 H ARG 30 5.402 9.441 -6.664 224 HA ARG 30 HA ARG 30 3.555 10.646 -8.503 225 HB2 ARG 30 2HB ARG 30 6.031 10.701 -8.768 226 HB3 ARG 30 1HB ARG 30 6.001 8.975 -9.091 227 HG2 ARG 30 2HG ARG 30 4.663 9.340 -11.074 228 HG3 ARG 30 1HG ARG 30 4.604 11.072 -10.734 229 HD2 ARG 30 2HD ARG 30 7.045 11.182 -10.938 230 HD3 ARG 30 1HD ARG 30 7.086 9.457 -11.305 231 HE ARG 30 HE ARG 30 5.500 11.217 -13.028 232 HH11 ARG 30 1HH1 ARG 30 8.343 9.231 -12.546 233 HH12 ARG 30 2HH1 ARG 30 8.726 9.142 -14.238 234 HH21 ARG 30 1HH2 ARG 30 6.005 11.119 -15.262 235 HH22 ARG 30 2HH2 ARG 30 7.412 10.232 -15.781 236 H ASP 31 H ASP 31 4.017 7.458 -7.253 237 HA ASP 31 HA ASP 31 3.025 6.048 -9.536 238 HB2 ASP 31 2HB ASP 31 3.360 5.172 -6.664 239 HB3 ASP 31 1HB ASP 31 2.856 4.103 -7.967 240 H THR 32 H THR 32 1.009 5.289 -9.970 241 HA THR 32 HA THR 32 -1.137 6.673 -8.621 242 HB THR 32 HB THR 32 -2.528 5.522 -10.462 243 HG1 THR 32 HG1 THR 32 -0.363 5.346 -12.097 244 HG21 THR 32 3HG2 THR 32 -1.937 7.893 -10.501 245 HG22 THR 32 1HG2 THR 32 -1.840 7.195 -12.119 246 HG23 THR 32 2HG2 THR 32 -0.367 7.498 -11.200 247 H LEU 33 H LEU 33 -3.199 5.533 -8.194 248 HA LEU 33 HA LEU 33 -2.786 3.472 -6.320 249 HB2 LEU 33 2HB LEU 33 -5.330 4.424 -7.626 250 HB3 LEU 33 1HB LEU 33 -5.257 3.366 -6.229 251 HG LEU 33 HG LEU 33 -4.189 6.189 -6.300 252 HD11 LEU 33 1HD1 LEU 33 -6.711 5.107 -5.057 253 HD12 LEU 33 2HD1 LEU 33 -6.625 6.120 -6.497 254 HD13 LEU 33 3HD1 LEU 33 -6.113 6.763 -4.936 255 HD21 LEU 33 3HD2 LEU 33 -4.030 5.928 -3.874 256 HD22 LEU 33 1HD2 LEU 33 -3.021 4.750 -4.715 257 HD23 LEU 33 2HD2 LEU 33 -4.563 4.252 -4.019 258 H LEU 34 H LEU 34 -3.489 3.427 -9.716 259 HA LEU 34 HA LEU 34 -4.395 0.744 -9.890 260 HB2 LEU 34 2HB LEU 34 -4.784 2.345 -11.680 261 HB3 LEU 34 1HB LEU 34 -3.060 2.533 -11.924 262 HG LEU 34 HG LEU 34 -2.918 0.185 -12.678 263 HD11 LEU 34 1HD1 LEU 34 -4.974 -1.045 -13.181 264 HD12 LEU 34 2HD1 LEU 34 -5.921 0.226 -12.406 265 HD13 LEU 34 3HD1 LEU 34 -4.797 -0.744 -11.454 266 HD21 LEU 34 3HD2 LEU 34 -4.009 0.512 -14.826 267 HD22 LEU 34 1HD2 LEU 34 -3.218 1.994 -14.293 268 HD23 LEU 34 2HD2 LEU 34 -4.968 1.829 -14.152 269 H VAL 35 H VAL 35 -1.214 2.277 -10.121 270 HA VAL 35 HA VAL 35 0.126 -0.156 -10.826 271 HB VAL 35 HB VAL 35 1.296 2.462 -9.866 272 HG11 VAL 35 1HG1 VAL 35 2.864 0.612 -9.616 273 HG12 VAL 35 2HG1 VAL 35 3.366 1.680 -10.926 274 HG13 VAL 35 3HG1 VAL 35 2.591 0.139 -11.292 275 HG21 VAL 35 3HG2 VAL 35 -0.011 2.773 -11.883 276 HG22 VAL 35 1HG2 VAL 35 0.822 1.425 -12.658 277 HG23 VAL 35 2HG2 VAL 35 1.709 2.894 -12.253 278 H VAL 36 H VAL 36 -0.348 1.677 -7.828 279 HA VAL 36 HA VAL 36 1.585 0.297 -6.317 280 HB VAL 36 HB VAL 36 0.605 2.468 -5.629 281 HG11 VAL 36 1HG1 VAL 36 -1.738 2.003 -6.124 282 HG12 VAL 36 2HG1 VAL 36 -1.523 2.540 -4.458 283 HG13 VAL 36 3HG1 VAL 36 -1.788 0.832 -4.806 284 HG21 VAL 36 3HG2 VAL 36 0.390 0.261 -3.586 285 HG22 VAL 36 1HG2 VAL 36 0.541 1.982 -3.229 286 HG23 VAL 36 2HG2 VAL 36 1.857 1.129 -4.037 287 H LYS 37 H LYS 37 -1.805 -0.443 -6.978 288 HA LYS 37 HA LYS 37 -1.913 -2.538 -5.029 289 HB2 LYS 37 2HB LYS 37 -3.751 -1.839 -7.316 290 HB3 LYS 37 1HB LYS 37 -4.039 -3.187 -6.223 291 HG2 LYS 37 2HG LYS 37 -3.896 -1.471 -4.341 292 HG3 LYS 37 1HG LYS 37 -4.036 -0.252 -5.609 293 HD2 LYS 37 2HD LYS 37 -6.011 -2.468 -5.062 294 HD3 LYS 37 1HD LYS 37 -6.211 -0.776 -4.616 295 HE2 LYS 37 2HE LYS 37 -5.915 -1.812 -7.429 296 HE3 LYS 37 1HE LYS 37 -7.440 -1.375 -6.662 297 HZ1 LYS 37 3HZ LYS 37 -5.175 0.495 -7.090 298 HZ2 LYS 37 1HZ LYS 37 -6.707 0.881 -6.480 299 HZ3 LYS 37 2HZ LYS 37 -6.543 0.383 -8.089 300 H GLN 38 H GLN 38 -0.917 -2.321 -8.347 301 HA GLN 38 HA GLN 38 -0.935 -5.112 -8.888 302 HB2 GLN 38 2HB GLN 38 0.749 -2.900 -10.088 303 HB3 GLN 38 1HB GLN 38 0.634 -4.535 -10.729 304 HG2 GLN 38 2HG GLN 38 -1.739 -4.223 -11.148 305 HG3 GLN 38 1HG GLN 38 -1.663 -2.607 -10.454 306 HE21 GLN 38 1HE2 GLN 38 -2.369 -1.625 -12.320 307 HE22 GLN 38 2HE2 GLN 38 -1.388 -1.480 -13.741 308 H LYS 39 H LYS 39 1.235 -2.941 -7.269 309 HA LYS 39 HA LYS 39 3.413 -4.754 -6.966 310 HB2 LYS 39 2HB LYS 39 2.611 -2.437 -5.190 311 HB3 LYS 39 1HB LYS 39 4.181 -3.221 -5.225 312 HG2 LYS 39 2HG LYS 39 4.637 -2.361 -7.404 313 HG3 LYS 39 1HG LYS 39 2.988 -1.751 -7.560 314 HD2 LYS 39 2HD LYS 39 3.389 -0.233 -5.664 315 HD3 LYS 39 1HD LYS 39 5.047 -0.820 -5.556 316 HE2 LYS 39 2HE LYS 39 3.902 0.460 -8.028 317 HE3 LYS 39 1HE LYS 39 4.727 1.370 -6.764 318 HZ1 LYS 39 3HZ LYS 39 6.706 0.028 -7.144 319 HZ2 LYS 39 1HZ LYS 39 6.225 0.813 -8.571 320 HZ3 LYS 39 2HZ LYS 39 5.910 -0.843 -8.365 321 H ILE 40 H ILE 40 0.634 -3.845 -4.980 322 HA ILE 40 HA ILE 40 1.172 -5.470 -2.753 323 HB ILE 40 HB ILE 40 -1.542 -4.622 -3.788 324 HG12 ILE 40 2HG1 ILE 40 0.270 -3.250 -1.791 325 HG13 ILE 40 1HG1 ILE 40 0.001 -2.714 -3.446 326 HG21 ILE 40 1HG2 ILE 40 -0.659 -5.458 -1.029 327 HG22 ILE 40 2HG2 ILE 40 -1.673 -6.396 -2.125 328 HG23 ILE 40 3HG2 ILE 40 -2.264 -4.873 -1.462 329 HD11 ILE 40 3HD1 ILE 40 -2.092 -2.884 -1.288 330 HD12 ILE 40 1HD1 ILE 40 -2.352 -2.323 -2.940 331 HD13 ILE 40 2HD1 ILE 40 -1.301 -1.413 -1.854 332 H GLU 41 H GLU 41 -0.499 -6.089 -5.768 333 HA GLU 41 HA GLU 41 -1.795 -8.468 -5.204 334 HB2 GLU 41 2HB GLU 41 -2.088 -7.193 -7.283 335 HB3 GLU 41 1HB GLU 41 -0.466 -7.638 -7.790 336 HG2 GLU 41 2HG GLU 41 -1.130 -9.988 -7.850 337 HG3 GLU 41 1HG GLU 41 -2.761 -9.535 -7.357 338 H ARG 42 H ARG 42 1.520 -7.992 -6.362 339 HA ARG 42 HA ARG 42 2.103 -10.786 -6.503 340 HB2 ARG 42 2HB ARG 42 3.234 -9.012 -7.857 341 HB3 ARG 42 1HB ARG 42 4.040 -8.468 -6.394 342 HG2 ARG 42 2HG ARG 42 5.150 -10.626 -6.188 343 HG3 ARG 42 1HG ARG 42 4.322 -11.193 -7.643 344 HD2 ARG 42 2HD ARG 42 5.385 -9.360 -8.915 345 HD3 ARG 42 1HD ARG 42 6.267 -8.898 -7.459 346 HE ARG 42 HE ARG 42 6.943 -11.487 -7.731 347 HH11 ARG 42 1HH1 ARG 42 6.971 -8.783 -9.965 348 HH12 ARG 42 2HH1 ARG 42 8.276 -9.427 -10.911 349 HH21 ARG 42 1HH2 ARG 42 8.636 -12.336 -9.011 350 HH22 ARG 42 2HH2 ARG 42 9.218 -11.432 -10.380 351 H SER 43 H SER 43 1.988 -8.524 -3.965 352 HA SER 43 HA SER 43 3.958 -9.896 -2.322 353 HB2 SER 43 2HB SER 43 2.194 -7.535 -1.627 354 HB3 SER 43 1HB SER 43 3.618 -8.086 -0.744 355 HG SER 43 HG SER 43 3.467 -6.842 -3.277 356 H GLN 44 H GLN 44 0.460 -9.234 -2.308 357 HA GLN 44 HA GLN 44 0.102 -10.983 0.002 358 HB2 GLN 44 2HB GLN 44 -1.918 -9.381 -1.577 359 HB3 GLN 44 1HB GLN 44 -2.250 -10.258 -0.090 360 HG2 GLN 44 2HG GLN 44 -0.352 -7.941 -0.366 361 HG3 GLN 44 1HG GLN 44 -1.988 -7.859 0.282 362 HE21 GLN 44 1HE2 GLN 44 0.529 -7.187 1.554 363 HE22 GLN 44 2HE2 GLN 44 0.629 -8.164 2.980 364 H HIS 45 H HIS 45 0.153 -11.232 -3.329 365 HA HIS 45 HA HIS 45 -0.338 -12.850 -4.820 366 HB2 HIS 45 2HB HIS 45 -0.710 -14.489 -2.314 367 HB3 HIS 45 1HB HIS 45 -0.874 -15.168 -3.930 368 HD1 HIS 45 HD1 HIS 45 1.455 -14.351 -5.468 369 HD2 HIS 45 HD2 HIS 45 1.749 -15.035 -1.368 370 HE1 HIS 45 HE1 HIS 45 3.888 -14.832 -5.025 371 HE2 HIS 45 HE2 HIS 45 4.009 -15.409 -2.573 372 H ILE 46 H ILE 46 -2.403 -11.037 -3.759 373 HA ILE 46 HA ILE 46 -4.737 -12.590 -4.661 374 HB ILE 46 HB ILE 46 -6.156 -10.901 -3.475 375 HG12 ILE 46 2HG1 ILE 46 -3.548 -10.133 -2.140 376 HG13 ILE 46 1HG1 ILE 46 -4.428 -9.132 -3.291 377 HG21 ILE 46 1HG2 ILE 46 -4.300 -12.509 -1.734 378 HG22 ILE 46 2HG2 ILE 46 -5.748 -13.112 -2.542 379 HG23 ILE 46 3HG2 ILE 46 -5.889 -11.898 -1.271 380 HD11 ILE 46 3HD1 ILE 46 -4.841 -8.400 -1.026 381 HD12 ILE 46 1HD1 ILE 46 -5.410 -10.010 -0.585 382 HD13 ILE 46 2HD1 ILE 46 -6.321 -9.039 -1.741 383 HA PRO 47 HA PRO 47 -4.705 -10.047 -8.241 384 HB2 PRO 47 2HB PRO 47 -7.418 -10.054 -8.772 385 HB3 PRO 47 1HB PRO 47 -6.301 -11.341 -9.231 386 HG2 PRO 47 2HG PRO 47 -8.150 -11.185 -6.890 387 HG3 PRO 47 1HG PRO 47 -7.757 -12.574 -7.919 388 HD2 PRO 47 2HD PRO 47 -6.682 -12.291 -5.475 389 HD3 PRO 47 1HD PRO 47 -5.756 -12.981 -6.825 390 H VAL 48 H VAL 48 -4.979 -7.946 -8.808 391 HA VAL 48 HA VAL 48 -5.307 -5.968 -6.934 392 HB VAL 48 HB VAL 48 -5.894 -5.755 -9.892 393 HG11 VAL 48 1HG1 VAL 48 -5.342 -3.378 -9.635 394 HG12 VAL 48 2HG1 VAL 48 -5.211 -3.605 -7.891 395 HG13 VAL 48 3HG1 VAL 48 -6.765 -3.828 -8.695 396 HG21 VAL 48 3HG2 VAL 48 -3.672 -6.648 -9.431 397 HG22 VAL 48 1HG2 VAL 48 -3.343 -5.291 -8.355 398 HG23 VAL 48 2HG2 VAL 48 -3.571 -5.010 -10.081 399 H SER 49 H SER 49 -7.798 -7.421 -8.954 400 HA SER 49 HA SER 49 -9.828 -5.536 -8.432 401 HB2 SER 49 2HB SER 49 -10.160 -8.433 -9.217 402 HB3 SER 49 1HB SER 49 -11.306 -7.119 -9.485 403 HG SER 49 HG SER 49 -9.182 -7.875 -10.975 404 H LYS 50 H LYS 50 -8.541 -8.014 -6.440 405 HA LYS 50 HA LYS 50 -10.999 -8.043 -4.813 406 HB2 LYS 50 2HB LYS 50 -8.762 -10.048 -5.038 407 HB3 LYS 50 1HB LYS 50 -9.937 -10.092 -3.731 408 HG2 LYS 50 2HG LYS 50 -11.729 -10.199 -5.493 409 HG3 LYS 50 1HG LYS 50 -10.440 -10.438 -6.674 410 HD2 LYS 50 2HD LYS 50 -9.724 -12.450 -5.523 411 HD3 LYS 50 1HD LYS 50 -10.933 -12.186 -4.266 412 HE2 LYS 50 2HE LYS 50 -12.694 -12.352 -6.021 413 HE3 LYS 50 1HE LYS 50 -11.438 -12.789 -7.177 414 HZ1 LYS 50 3HZ LYS 50 -12.367 -14.794 -6.428 415 HZ2 LYS 50 1HZ LYS 50 -12.345 -14.311 -4.799 416 HZ3 LYS 50 2HZ LYS 50 -10.891 -14.663 -5.605 417 H GLN 51 H GLN 51 -8.423 -6.250 -4.941 418 HA GLN 51 HA GLN 51 -7.623 -6.428 -2.142 419 HB2 GLN 51 2HB GLN 51 -6.646 -4.656 -4.387 420 HB3 GLN 51 1HB GLN 51 -6.015 -4.629 -2.746 421 HG2 GLN 51 2HG GLN 51 -5.224 -6.888 -2.964 422 HG3 GLN 51 1HG GLN 51 -5.962 -7.025 -4.560 423 HE21 GLN 51 1HE2 GLN 51 -4.005 -7.478 -5.530 424 HE22 GLN 51 2HE2 GLN 51 -2.800 -6.260 -5.779 425 H THR 52 H THR 52 -9.427 -5.718 -1.048 426 HA THR 52 HA THR 52 -10.591 -3.156 -1.689 427 HB THR 52 HB THR 52 -11.143 -4.969 0.669 428 HG1 THR 52 HG1 THR 52 -12.076 -6.142 -0.842 429 HG21 THR 52 3HG2 THR 52 -13.237 -3.718 0.857 430 HG22 THR 52 1HG2 THR 52 -12.747 -2.684 -0.485 431 HG23 THR 52 2HG2 THR 52 -11.849 -2.643 1.032 432 H LEU 53 H LEU 53 -9.044 -1.614 -1.364 433 HA LEU 53 HA LEU 53 -7.428 -1.436 0.974 434 HB2 LEU 53 2HB LEU 53 -8.134 0.583 -1.154 435 HB3 LEU 53 1HB LEU 53 -7.018 0.918 0.155 436 HG LEU 53 HG LEU 53 -6.611 -1.272 -1.888 437 HD11 LEU 53 1HD1 LEU 53 -5.392 1.485 -1.755 438 HD12 LEU 53 2HD1 LEU 53 -6.583 0.942 -2.939 439 HD13 LEU 53 3HD1 LEU 53 -4.976 0.216 -2.906 440 HD21 LEU 53 3HD2 LEU 53 -5.481 -1.642 0.253 441 HD22 LEU 53 1HD2 LEU 53 -4.751 -0.040 0.147 442 HD23 LEU 53 2HD2 LEU 53 -4.323 -1.283 -1.027 443 H ILE 54 H ILE 54 -8.259 -1.081 2.926 444 HA ILE 54 HA ILE 54 -10.433 0.897 3.160 445 HB ILE 54 HB ILE 54 -9.756 -1.327 5.099 446 HG12 ILE 54 2HG1 ILE 54 -12.096 -1.060 3.190 447 HG13 ILE 54 1HG1 ILE 54 -10.725 -2.142 2.963 448 HG21 ILE 54 1HG2 ILE 54 -11.864 -0.703 6.191 449 HG22 ILE 54 2HG2 ILE 54 -12.051 0.636 5.060 450 HG23 ILE 54 3HG2 ILE 54 -10.707 0.628 6.202 451 HD11 ILE 54 3HD1 ILE 54 -12.652 -3.337 3.809 452 HD12 ILE 54 1HD1 ILE 54 -12.723 -2.265 5.207 453 HD13 ILE 54 2HD1 ILE 54 -11.346 -3.345 4.995 454 H VAL 55 H VAL 55 -9.579 2.795 3.690 455 HA VAL 55 HA VAL 55 -7.441 2.829 5.719 456 HB VAL 55 HB VAL 55 -6.744 5.029 4.746 457 HG11 VAL 55 1HG1 VAL 55 -5.592 4.058 2.809 458 HG12 VAL 55 2HG1 VAL 55 -6.656 2.654 2.888 459 HG13 VAL 55 3HG1 VAL 55 -5.538 2.987 4.210 460 HG21 VAL 55 3HG2 VAL 55 -7.469 5.588 2.469 461 HG22 VAL 55 1HG2 VAL 55 -8.824 5.619 3.600 462 HG23 VAL 55 2HG2 VAL 55 -8.618 4.251 2.505 463 H ASP 56 H ASP 56 -8.226 3.383 7.602 464 HA ASP 56 HA ASP 56 -9.226 4.555 9.273 465 HB2 ASP 56 2HB ASP 56 -8.176 6.496 8.057 466 HB3 ASP 56 1HB ASP 56 -9.712 6.735 7.232 467 H GLY 57 H GLY 57 -10.798 3.199 6.853 468 HA2 GLY 57 2HA GLY 57 -13.054 2.358 7.429 469 HA3 GLY 57 1HA GLY 57 -13.461 4.020 7.832 470 H ILE 58 H ILE 58 -11.710 4.747 5.377 471 HA ILE 58 HA ILE 58 -13.950 4.722 3.511 472 HB ILE 58 HB ILE 58 -11.251 6.057 3.229 473 HG12 ILE 58 2HG1 ILE 58 -13.893 7.225 4.135 474 HG13 ILE 58 1HG1 ILE 58 -12.511 6.906 5.178 475 HG21 ILE 58 1HG2 ILE 58 -13.834 6.475 1.731 476 HG22 ILE 58 2HG2 ILE 58 -12.387 5.682 1.106 477 HG23 ILE 58 3HG2 ILE 58 -12.347 7.398 1.506 478 HD11 ILE 58 3HD1 ILE 58 -12.685 9.262 4.576 479 HD12 ILE 58 1HD1 ILE 58 -12.549 8.836 2.869 480 HD13 ILE 58 2HD1 ILE 58 -11.196 8.544 3.961 481 H VAL 59 H VAL 59 -14.020 3.556 1.664 482 HA VAL 59 HA VAL 59 -11.864 1.669 1.162 483 HB VAL 59 HB VAL 59 -14.143 0.794 1.135 484 HG11 VAL 59 1HG1 VAL 59 -14.623 2.655 -1.189 485 HG12 VAL 59 2HG1 VAL 59 -15.345 2.778 0.415 486 HG13 VAL 59 3HG1 VAL 59 -15.734 1.407 -0.623 487 HG21 VAL 59 3HG2 VAL 59 -14.080 -0.365 -1.026 488 HG22 VAL 59 1HG2 VAL 59 -12.489 -0.297 -0.269 489 HG23 VAL 59 2HG2 VAL 59 -12.875 0.789 -1.603 490 H ILE 60 H ILE 60 -10.400 1.883 -0.402 491 HA ILE 60 HA ILE 60 -10.574 4.257 -2.094 492 HB ILE 60 HB ILE 60 -8.254 2.367 -1.669 493 HG12 ILE 60 2HG1 ILE 60 -8.812 3.620 0.357 494 HG13 ILE 60 1HG1 ILE 60 -7.297 4.198 -0.330 495 HG21 ILE 60 1HG2 ILE 60 -8.157 3.455 -3.844 496 HG22 ILE 60 2HG2 ILE 60 -6.906 4.086 -2.774 497 HG23 ILE 60 3HG2 ILE 60 -8.363 5.031 -3.081 498 HD11 ILE 60 3HD1 ILE 60 -8.425 6.127 -1.260 499 HD12 ILE 60 1HD1 ILE 60 -8.719 6.019 0.476 500 HD13 ILE 60 2HD1 ILE 60 -9.976 5.532 -0.664 501 H LEU 61 H LEU 61 -12.006 3.676 -3.683 502 HA LEU 61 HA LEU 61 -11.152 1.487 -5.452 503 HB2 LEU 61 2HB LEU 61 -13.881 2.723 -5.091 504 HB3 LEU 61 1HB LEU 61 -13.488 1.543 -6.326 505 HG LEU 61 HG LEU 61 -13.356 1.059 -3.348 506 HD11 LEU 61 1HD1 LEU 61 -15.319 0.098 -5.426 507 HD12 LEU 61 2HD1 LEU 61 -15.646 1.270 -4.148 508 HD13 LEU 61 3HD1 LEU 61 -15.278 -0.406 -3.736 509 HD21 LEU 61 3HD2 LEU 61 -12.936 -0.810 -5.679 510 HD22 LEU 61 1HD2 LEU 61 -13.000 -1.282 -3.980 511 HD23 LEU 61 2HD2 LEU 61 -11.695 -0.247 -4.559 512 H ARG 62 H ARG 62 -9.580 3.245 -6.075 513 HA ARG 62 HA ARG 62 -10.627 4.565 -8.463 514 HB2 ARG 62 2HB ARG 62 -9.055 5.921 -6.274 515 HB3 ARG 62 1HB ARG 62 -9.073 6.534 -7.922 516 HG2 ARG 62 2HG ARG 62 -11.464 6.202 -6.122 517 HG3 ARG 62 1HG ARG 62 -10.672 7.722 -6.545 518 HD2 ARG 62 2HD ARG 62 -11.206 7.266 -8.930 519 HD3 ARG 62 1HD ARG 62 -12.105 5.842 -8.414 520 HE ARG 62 HE ARG 62 -12.834 8.641 -7.844 521 HH11 ARG 62 1HH1 ARG 62 -13.661 5.226 -7.942 522 HH12 ARG 62 2HH1 ARG 62 -15.370 5.516 -7.795 523 HH21 ARG 62 1HH2 ARG 62 -15.074 8.999 -7.625 524 HH22 ARG 62 2HH2 ARG 62 -16.168 7.647 -7.599 525 H GLU 63 H GLU 63 -9.357 4.183 -10.176 526 HA GLU 63 HA GLU 63 -6.614 3.236 -9.669 527 HB2 GLU 63 2HB GLU 63 -8.197 2.991 -12.232 528 HB3 GLU 63 1HB GLU 63 -6.681 2.194 -11.843 529 HG2 GLU 63 2HG GLU 63 -9.389 1.666 -10.654 530 HG3 GLU 63 1HG GLU 63 -8.434 0.598 -11.680 531 H ASP 64 H ASP 64 -8.454 5.814 -10.851 532 HA ASP 64 HA ASP 64 -6.584 6.703 -12.863 533 HB2 ASP 64 2HB ASP 64 -8.212 8.538 -13.189 534 HB3 ASP 64 1HB ASP 64 -8.957 6.946 -13.282 535 H LEU 65 H LEU 65 -7.040 7.229 -9.526 536 HA LEU 65 HA LEU 65 -5.764 9.860 -9.576 537 HB2 LEU 65 2HB LEU 65 -6.940 8.264 -7.295 538 HB3 LEU 65 1HB LEU 65 -6.239 9.864 -7.141 539 HG LEU 65 HG LEU 65 -8.696 9.173 -8.758 540 HD11 LEU 65 1HD1 LEU 65 -9.101 9.045 -6.365 541 HD12 LEU 65 2HD1 LEU 65 -9.894 10.460 -7.057 542 HD13 LEU 65 3HD1 LEU 65 -8.395 10.646 -6.145 543 HD21 LEU 65 3HD2 LEU 65 -7.390 11.832 -8.186 544 HD22 LEU 65 1HD2 LEU 65 -8.930 11.600 -9.013 545 HD23 LEU 65 2HD2 LEU 65 -7.439 11.008 -9.745 546 H THR 66 H THR 66 -3.766 10.280 -8.704 547 HA THR 66 HA THR 66 -2.108 7.959 -8.148 548 HB THR 66 HB THR 66 -1.162 9.643 -9.648 549 HG1 THR 66 HG1 THR 66 0.796 9.468 -8.767 550 HG21 THR 66 3HG2 THR 66 -1.294 11.516 -7.285 551 HG22 THR 66 1HG2 THR 66 -2.273 11.632 -8.747 552 HG23 THR 66 2HG2 THR 66 -0.527 11.860 -8.834 553 H VAL 67 H VAL 67 -0.592 8.055 -6.246 554 HA VAL 67 HA VAL 67 -2.216 8.252 -3.926 555 HB VAL 67 HB VAL 67 -0.248 7.579 -2.653 556 HG11 VAL 67 1HG1 VAL 67 0.216 5.449 -3.812 557 HG12 VAL 67 2HG1 VAL 67 -0.590 6.082 -5.247 558 HG13 VAL 67 3HG1 VAL 67 -1.501 5.841 -3.756 559 HG21 VAL 67 3HG2 VAL 67 1.900 7.164 -3.797 560 HG22 VAL 67 1HG2 VAL 67 1.470 8.875 -3.747 561 HG23 VAL 67 2HG2 VAL 67 1.259 7.957 -5.237 562 H GLU 68 H GLU 68 -0.076 10.460 -5.490 563 HA GLU 68 HA GLU 68 0.427 12.146 -3.256 564 HB2 GLU 68 2HB GLU 68 1.772 12.131 -5.349 565 HB3 GLU 68 1HB GLU 68 0.413 12.853 -6.196 566 HG2 GLU 68 2HG GLU 68 0.577 14.846 -4.859 567 HG3 GLU 68 1HG GLU 68 1.838 14.116 -3.869 568 H GLN 69 H GLN 69 -2.250 11.728 -5.392 569 HA GLN 69 HA GLN 69 -3.479 14.273 -4.765 570 HB2 GLN 69 2HB GLN 69 -4.600 11.856 -6.198 571 HB3 GLN 69 1HB GLN 69 -5.378 13.428 -6.087 572 HG2 GLN 69 2HG GLN 69 -2.717 12.923 -7.387 573 HG3 GLN 69 1HG GLN 69 -4.255 13.026 -8.241 574 HE21 GLN 69 1HE2 GLN 69 -5.206 14.984 -8.554 575 HE22 GLN 69 2HE2 GLN 69 -4.410 16.487 -8.226 576 H CYS 70 H CYS 70 -3.936 10.866 -3.956 577 HA CYS 70 HA CYS 70 -6.177 11.380 -2.245 578 HB2 CYS 70 2HB CYS 70 -4.441 8.911 -2.373 579 HB3 CYS 70 1HB CYS 70 -6.080 9.025 -1.736 580 HG CYS 70 HG CYS 70 -5.036 8.874 -4.947 581 H GLN 71 H GLN 71 -2.741 11.247 -1.900 582 HA GLN 71 HA GLN 71 -1.318 11.700 -0.204 583 HB2 GLN 71 2HB GLN 71 -3.740 12.913 1.139 584 HB3 GLN 71 1HB GLN 71 -2.060 13.204 1.570 585 HG2 GLN 71 2HG GLN 71 -1.703 14.159 -0.695 586 HG3 GLN 71 1HG GLN 71 -3.432 13.984 -0.992 587 HE21 GLN 71 1HE2 GLN 71 -4.881 15.292 0.129 588 HE22 GLN 71 2HE2 GLN 71 -4.374 16.747 0.929 589 H ILE 72 H ILE 72 -2.319 9.146 -0.249 590 HA ILE 72 HA ILE 72 -3.225 8.325 2.339 591 HB ILE 72 HB ILE 72 -2.049 6.635 0.120 592 HG12 ILE 72 2HG1 ILE 72 -4.940 7.229 0.802 593 HG13 ILE 72 1HG1 ILE 72 -4.065 7.897 -0.573 594 HG21 ILE 72 1HG2 ILE 72 -3.674 5.880 2.550 595 HG22 ILE 72 2HG2 ILE 72 -1.973 5.508 2.270 596 HG23 ILE 72 3HG2 ILE 72 -3.213 4.778 1.251 597 HD11 ILE 72 3HD1 ILE 72 -5.513 6.056 -1.227 598 HD12 ILE 72 1HD1 ILE 72 -4.661 4.983 -0.116 599 HD13 ILE 72 2HD1 ILE 72 -3.817 5.666 -1.506 600 H VAL 73 H VAL 73 -1.911 8.672 3.997 601 HA VAL 73 HA VAL 73 0.963 8.181 3.696 602 HB VAL 73 HB VAL 73 1.141 9.464 5.859 603 HG11 VAL 73 1HG1 VAL 73 1.592 10.510 3.707 604 HG12 VAL 73 2HG1 VAL 73 0.803 11.650 4.798 605 HG13 VAL 73 3HG1 VAL 73 -0.123 10.875 3.511 606 HG21 VAL 73 3HG2 VAL 73 -0.755 10.825 6.554 607 HG22 VAL 73 1HG2 VAL 73 -1.169 9.112 6.628 608 HG23 VAL 73 2HG2 VAL 73 -1.756 10.104 5.293 609 HA PRO 74 HA PRO 74 0.950 4.582 6.201 610 HB2 PRO 74 2HB PRO 74 3.410 5.487 7.530 611 HB3 PRO 74 1HB PRO 74 3.158 4.110 6.454 612 HG2 PRO 74 2HG PRO 74 4.535 6.283 5.676 613 HG3 PRO 74 1HG PRO 74 3.519 5.365 4.548 614 HD2 PRO 74 2HD PRO 74 2.940 7.948 5.949 615 HD3 PRO 74 1HD PRO 74 2.596 7.475 4.272 616 H THR 75 H THR 75 0.739 7.639 7.627 617 HA THR 75 HA THR 75 0.693 6.687 10.360 618 HB THR 75 HB THR 75 -0.045 9.155 10.744 619 HG1 THR 75 HG1 THR 75 0.274 10.521 9.060 620 HG21 THR 75 3HG2 THR 75 2.294 9.877 10.653 621 HG22 THR 75 1HG2 THR 75 2.689 8.480 9.651 622 HG23 THR 75 2HG2 THR 75 2.156 8.248 11.316 623 H SER 76 H SER 76 -1.389 6.365 7.936 624 HA SER 76 HA SER 76 -3.759 6.639 9.661 625 HB2 SER 76 2HB SER 76 -3.610 6.292 6.649 626 HB3 SER 76 1HB SER 76 -5.084 6.523 7.594 627 HG SER 76 HG SER 76 -3.436 8.480 8.235 628 H ASP 77 H ASP 77 -5.299 4.836 9.625 629 HA ASP 77 HA ASP 77 -3.979 2.291 9.775 630 HB2 ASP 77 2HB ASP 77 -5.806 2.880 11.317 631 HB3 ASP 77 1HB ASP 77 -6.924 2.978 9.960 632 H ILE 78 H ILE 78 -3.325 1.441 7.888 633 HA ILE 78 HA ILE 78 -5.231 1.390 5.644 634 HB ILE 78 HB ILE 78 -2.238 0.977 5.551 635 HG12 ILE 78 2HG1 ILE 78 -3.855 3.402 4.738 636 HG13 ILE 78 1HG1 ILE 78 -2.898 3.286 6.211 637 HG21 ILE 78 1HG2 ILE 78 -2.498 1.197 3.134 638 HG22 ILE 78 2HG2 ILE 78 -4.241 1.376 3.330 639 HG23 ILE 78 3HG2 ILE 78 -3.459 -0.148 3.751 640 HD11 ILE 78 3HD1 ILE 78 -1.834 3.148 3.399 641 HD12 ILE 78 1HD1 ILE 78 -0.874 3.037 4.874 642 HD13 ILE 78 2HD1 ILE 78 -1.727 4.531 4.488 643 H GLN 79 H GLN 79 -6.360 -0.467 5.792 644 HA GLN 79 HA GLN 79 -4.827 -2.948 6.198 645 HB2 GLN 79 2HB GLN 79 -7.567 -2.205 7.187 646 HB3 GLN 79 1HB GLN 79 -7.053 -3.881 7.054 647 HG2 GLN 79 2HG GLN 79 -5.137 -3.340 8.540 648 HG3 GLN 79 1HG GLN 79 -5.830 -1.734 8.763 649 HE21 GLN 79 1HE2 GLN 79 -6.083 -2.083 10.961 650 HE22 GLN 79 2HE2 GLN 79 -7.331 -3.100 11.591 651 H LEU 80 H LEU 80 -5.610 -4.833 5.186 652 HA LEU 80 HA LEU 80 -7.301 -4.331 2.827 653 HB2 LEU 80 2HB LEU 80 -4.906 -6.097 3.180 654 HB3 LEU 80 1HB LEU 80 -6.123 -6.497 1.987 655 HG LEU 80 HG LEU 80 -4.462 -3.980 2.067 656 HD11 LEU 80 1HD1 LEU 80 -4.498 -6.318 0.161 657 HD12 LEU 80 2HD1 LEU 80 -3.237 -5.960 1.340 658 HD13 LEU 80 3HD1 LEU 80 -3.519 -4.863 -0.011 659 HD21 LEU 80 3HD2 LEU 80 -5.537 -3.432 -0.053 660 HD22 LEU 80 1HD2 LEU 80 -6.720 -3.530 1.251 661 HD23 LEU 80 2HD2 LEU 80 -6.570 -4.854 0.094 662 H GLU 81 H GLU 81 -9.117 -5.433 2.696 663 HA GLU 81 HA GLU 81 -9.414 -7.856 4.343 664 HB2 GLU 81 2HB GLU 81 -10.948 -5.969 4.930 665 HB3 GLU 81 1HB GLU 81 -11.603 -6.042 3.301 666 HG2 GLU 81 2HG GLU 81 -12.427 -8.274 3.691 667 HG3 GLU 81 1HG GLU 81 -11.690 -8.294 5.294 668 H VAL 82 H VAL 82 -9.078 -9.561 3.080 669 HA VAL 82 HA VAL 82 -9.138 -9.435 0.255 670 HB VAL 82 HB VAL 82 -9.021 -11.861 2.054 671 HG11 VAL 82 1HG1 VAL 82 -8.382 -11.605 -0.886 672 HG12 VAL 82 2HG1 VAL 82 -9.766 -12.456 -0.199 673 HG13 VAL 82 3HG1 VAL 82 -8.131 -13.043 0.104 674 HG21 VAL 82 3HG2 VAL 82 -6.834 -10.323 0.662 675 HG22 VAL 82 1HG2 VAL 82 -6.620 -11.793 1.610 676 HG23 VAL 82 2HG2 VAL 82 -7.167 -10.310 2.395 677 H SER 83 H SER 83 -10.957 -9.187 -0.832 678 HA SER 83 HA SER 83 -13.468 -10.270 -0.081 679 HB2 SER 83 2HB SER 83 -12.569 -9.387 -2.836 680 HB3 SER 83 1HB SER 83 -14.227 -9.471 -2.235 681 HG SER 83 HG SER 83 -13.911 -7.469 -1.673 682 H SER 84 H SER 84 -14.107 -12.319 -0.238 683 HA SER 84 HA SER 84 -12.448 -14.240 -1.606 684 HB2 SER 84 2HB SER 84 -15.060 -14.650 -0.136 685 HB3 SER 84 1HB SER 84 -13.911 -15.907 -0.600 686 HG SER 84 HG SER 84 -12.836 -13.825 0.860 Start of MODEL 2 1 H1 MET 1 1H MET 1 13.538 18.456 -14.704 2 H2 MET 1 2H MET 1 13.747 19.815 -15.693 3 H3 MET 1 3H MET 1 13.299 20.010 -14.072 4 HA MET 1 HA MET 1 15.870 18.897 -15.038 5 HB2 MET 1 2HB MET 1 15.683 21.317 -15.424 6 HB3 MET 1 1HB MET 1 15.238 21.559 -13.741 7 HG2 MET 1 2HG MET 1 17.435 20.707 -13.051 8 HG3 MET 1 1HG MET 1 17.877 20.520 -14.748 9 HE1 MET 1 3HE MET 1 19.651 22.142 -12.683 10 HE2 MET 1 1HE MET 1 20.054 23.578 -13.622 11 HE3 MET 1 2HE MET 1 20.065 21.989 -14.389 12 H GLY 2 H GLY 2 13.908 19.965 -12.284 13 HA2 GLY 2 2HA GLY 2 13.799 18.948 -10.191 14 HA3 GLY 2 1HA GLY 2 15.183 17.952 -10.625 15 H HIS 3 H HIS 3 14.116 20.629 -8.886 16 HA HIS 3 HA HIS 3 16.611 22.030 -8.714 17 HB2 HIS 3 2HB HIS 3 14.243 22.916 -8.191 18 HB3 HIS 3 1HB HIS 3 14.414 22.096 -6.645 19 HD1 HIS 3 HD1 HIS 3 16.503 24.559 -8.676 20 HD2 HIS 3 HD2 HIS 3 15.314 23.794 -4.760 21 HE1 HIS 3 HE1 HIS 3 17.497 26.408 -7.289 22 HE2 HIS 3 HE2 HIS 3 16.523 26.075 -4.992 23 H HIS 4 H HIS 4 18.293 20.774 -8.073 24 HA HIS 4 HA HIS 4 17.953 18.428 -6.637 25 HB2 HIS 4 2HB HIS 4 20.442 18.328 -6.468 26 HB3 HIS 4 1HB HIS 4 19.806 18.531 -8.091 27 HD1 HIS 4 HD1 HIS 4 21.670 20.403 -5.397 28 HD2 HIS 4 HD2 HIS 4 20.684 20.764 -9.421 29 HE1 HIS 4 HE1 HIS 4 23.085 22.287 -6.279 30 HE2 HIS 4 HE2 HIS 4 22.640 22.312 -8.758 31 H HIS 5 H HIS 5 16.928 18.681 -4.788 32 HA HIS 5 HA HIS 5 18.796 19.010 -2.568 33 HB2 HIS 5 2HB HIS 5 15.995 20.142 -2.701 34 HB3 HIS 5 1HB HIS 5 16.746 19.731 -1.165 35 HD1 HIS 5 HD1 HIS 5 15.919 22.629 -2.474 36 HD2 HIS 5 HD2 HIS 5 19.714 21.070 -1.775 37 HE1 HIS 5 HE1 HIS 5 17.454 24.618 -2.305 38 HE2 HIS 5 HE2 HIS 5 19.711 23.659 -1.715 39 H HIS 6 H HIS 6 18.456 17.375 -0.973 40 HA HIS 6 HA HIS 6 17.640 14.951 -2.082 41 HB2 HIS 6 2HB HIS 6 19.216 15.299 -0.113 42 HB3 HIS 6 1HB HIS 6 17.770 15.427 0.888 43 HD1 HIS 6 HD1 HIS 6 16.733 13.268 1.660 44 HD2 HIS 6 HD2 HIS 6 19.452 12.734 -1.443 45 HE1 HIS 6 HE1 HIS 6 16.964 10.776 1.372 46 HE2 HIS 6 HE2 HIS 6 18.477 10.490 -0.628 47 H HIS 7 H HIS 7 15.730 14.223 -2.542 48 HA HIS 7 HA HIS 7 13.352 15.293 -1.264 49 HB2 HIS 7 2HB HIS 7 13.774 13.303 -3.500 50 HB3 HIS 7 1HB HIS 7 12.186 13.671 -2.846 51 HD1 HIS 7 HD1 HIS 7 10.966 15.538 -3.938 52 HD2 HIS 7 HD2 HIS 7 15.054 15.677 -4.701 53 HE1 HIS 7 HE1 HIS 7 11.285 17.404 -5.589 54 HE2 HIS 7 HE2 HIS 7 13.715 17.290 -6.219 55 H HIS 8 H HIS 8 11.759 13.942 -0.283 56 HA HIS 8 HA HIS 8 12.822 11.420 0.817 57 HB2 HIS 8 2HB HIS 8 12.287 13.259 2.471 58 HB3 HIS 8 1HB HIS 8 10.606 13.138 1.970 59 HD1 HIS 8 HD1 HIS 8 9.262 11.798 3.540 60 HD2 HIS 8 HD2 HIS 8 13.202 10.464 3.365 61 HE1 HIS 8 HE1 HIS 8 9.408 9.879 5.169 62 HE2 HIS 8 HE2 HIS 8 11.813 9.117 5.084 63 H SER 9 H SER 9 11.625 11.849 -1.766 64 HA SER 9 HA SER 9 8.873 11.134 -1.731 65 HB2 SER 9 2HB SER 9 10.786 10.983 -4.066 66 HB3 SER 9 1HB SER 9 9.029 11.149 -4.125 67 HG SER 9 HG SER 9 9.303 13.219 -3.989 68 H HIS 10 H HIS 10 9.107 9.260 -0.342 69 HA HIS 10 HA HIS 10 8.438 6.986 -1.772 70 HB2 HIS 10 2HB HIS 10 10.216 5.474 -1.590 71 HB3 HIS 10 1HB HIS 10 11.024 6.957 -2.069 72 HD1 HIS 10 HD1 HIS 10 10.944 4.367 0.504 73 HD2 HIS 10 HD2 HIS 10 12.479 8.219 0.119 74 HE1 HIS 10 HE1 HIS 10 12.629 4.620 2.362 75 HE2 HIS 10 HE2 HIS 10 13.652 6.902 2.025 76 H MET 11 H MET 11 7.179 5.787 -0.439 77 HA MET 11 HA MET 11 7.505 6.222 2.448 78 HB2 MET 11 2HB MET 11 5.001 6.493 0.810 79 HB3 MET 11 1HB MET 11 4.944 6.152 2.533 80 HG2 MET 11 2HG MET 11 6.215 8.555 1.247 81 HG3 MET 11 1HG MET 11 4.664 8.518 2.084 82 HE1 MET 11 3HE MET 11 6.812 10.642 2.843 83 HE2 MET 11 1HE MET 11 6.821 10.547 4.603 84 HE3 MET 11 2HE MET 11 5.295 10.463 3.723 85 H LYS 12 H LYS 12 8.002 4.337 3.260 86 HA LYS 12 HA LYS 12 6.872 1.887 2.230 87 HB2 LYS 12 2HB LYS 12 8.625 2.402 4.637 88 HB3 LYS 12 1HB LYS 12 8.159 0.813 4.052 89 HG2 LYS 12 2HG LYS 12 9.317 1.314 1.919 90 HG3 LYS 12 1HG LYS 12 9.881 2.829 2.629 91 HD2 LYS 12 2HD LYS 12 10.420 0.074 3.733 92 HD3 LYS 12 1HD LYS 12 11.563 1.041 2.797 93 HE2 LYS 12 2HE LYS 12 11.814 2.607 4.503 94 HE3 LYS 12 1HE LYS 12 10.317 2.122 5.298 95 HZ1 LYS 12 3HZ LYS 12 12.290 1.356 6.485 96 HZ2 LYS 12 1HZ LYS 12 12.772 0.455 5.132 97 HZ3 LYS 12 2HZ LYS 12 11.337 0.062 5.950 98 H PHE 13 H PHE 13 4.658 2.351 2.580 99 HA PHE 13 HA PHE 13 3.789 2.886 5.285 100 HB2 PHE 13 2HB PHE 13 1.620 3.300 4.421 101 HB3 PHE 13 1HB PHE 13 2.759 4.043 3.319 102 HD1 PHE 13 HD1 PHE 13 3.471 1.501 1.735 103 HD2 PHE 13 HD2 PHE 13 -0.218 3.143 3.057 104 HE1 PHE 13 HE1 PHE 13 2.323 0.423 -0.146 105 HE2 PHE 13 HE2 PHE 13 -1.377 2.059 1.185 106 HZ PHE 13 HZ PHE 13 -0.107 0.693 -0.421 107 H LEU 14 H LEU 14 2.516 1.599 6.540 108 HA LEU 14 HA LEU 14 3.015 -1.219 6.143 109 HB2 LEU 14 2HB LEU 14 3.471 -0.135 8.310 110 HB3 LEU 14 1HB LEU 14 1.768 0.253 8.465 111 HG LEU 14 HG LEU 14 1.268 -2.193 8.477 112 HD11 LEU 14 1HD1 LEU 14 3.109 -3.750 8.900 113 HD12 LEU 14 2HD1 LEU 14 4.269 -2.441 8.667 114 HD13 LEU 14 3HD1 LEU 14 3.261 -2.977 7.322 115 HD21 LEU 14 3HD2 LEU 14 3.149 -1.201 10.616 116 HD22 LEU 14 1HD2 LEU 14 2.032 -2.557 10.770 117 HD23 LEU 14 2HD2 LEU 14 1.408 -0.923 10.548 118 H VAL 15 H VAL 15 1.622 -2.125 4.756 119 HA VAL 15 HA VAL 15 -1.243 -1.677 5.175 120 HB VAL 15 HB VAL 15 -1.451 -3.185 3.097 121 HG11 VAL 15 1HG1 VAL 15 -1.063 -1.289 1.595 122 HG12 VAL 15 2HG1 VAL 15 -0.172 -0.466 2.877 123 HG13 VAL 15 3HG1 VAL 15 -1.893 -0.802 3.074 124 HG21 VAL 15 3HG2 VAL 15 0.504 -3.139 1.589 125 HG22 VAL 15 1HG2 VAL 15 0.803 -4.079 3.053 126 HG23 VAL 15 2HG2 VAL 15 1.472 -2.456 2.895 127 H GLU 16 H GLU 16 -2.038 -2.913 6.733 128 HA GLU 16 HA GLU 16 -0.917 -5.559 7.159 129 HB2 GLU 16 2HB GLU 16 -1.366 -4.066 9.093 130 HB3 GLU 16 1HB GLU 16 -3.083 -4.134 8.713 131 HG2 GLU 16 2HG GLU 16 -3.221 -6.417 9.263 132 HG3 GLU 16 1HG GLU 16 -1.467 -6.598 9.277 133 H ASN 17 H ASN 17 -1.586 -6.800 5.519 134 HA ASN 17 HA ASN 17 -4.355 -6.911 4.730 135 HB2 ASN 17 2HB ASN 17 -2.617 -7.291 3.053 136 HB3 ASN 17 1HB ASN 17 -1.992 -8.652 3.978 137 HD21 ASN 17 1HD2 ASN 17 -2.283 -9.969 2.152 138 HD22 ASN 17 2HD2 ASN 17 -3.849 -10.557 1.713 139 H LEU 18 H LEU 18 -5.847 -7.992 5.791 140 HA LEU 18 HA LEU 18 -5.203 -9.456 8.124 141 HB2 LEU 18 2HB LEU 18 -7.290 -8.119 7.731 142 HB3 LEU 18 1HB LEU 18 -7.847 -9.405 6.675 143 HG LEU 18 HG LEU 18 -7.752 -10.976 8.592 144 HD11 LEU 18 1HD1 LEU 18 -6.054 -9.837 9.915 145 HD12 LEU 18 2HD1 LEU 18 -7.529 -10.079 10.851 146 HD13 LEU 18 3HD1 LEU 18 -7.159 -8.488 10.186 147 HD21 LEU 18 3HD2 LEU 18 -9.727 -10.114 9.717 148 HD22 LEU 18 1HD2 LEU 18 -9.831 -9.859 7.976 149 HD23 LEU 18 2HD2 LEU 18 -9.425 -8.512 9.040 150 H ASN 19 H ASN 19 -5.705 -10.376 4.827 151 HA ASN 19 HA ASN 19 -5.719 -13.214 5.589 152 HB2 ASN 19 2HB ASN 19 -6.474 -11.807 3.029 153 HB3 ASN 19 1HB ASN 19 -6.257 -13.552 3.114 154 HD21 ASN 19 1HD2 ASN 19 -7.720 -14.788 4.273 155 HD22 ASN 19 2HD2 ASN 19 -9.268 -14.184 4.747 156 H GLY 20 H GLY 20 -3.443 -11.203 5.471 157 HA2 GLY 20 2HA GLY 20 -1.605 -12.966 4.033 158 HA3 GLY 20 1HA GLY 20 -1.638 -11.271 3.568 159 H SER 21 H SER 21 -0.527 -9.801 4.771 160 HA SER 21 HA SER 21 0.490 -10.516 7.387 161 HB2 SER 21 2HB SER 21 2.864 -10.109 6.638 162 HB3 SER 21 1HB SER 21 2.142 -11.587 6.001 163 HG SER 21 HG SER 21 2.437 -10.826 4.066 164 H SER 22 H SER 22 1.619 -8.723 8.429 165 HA SER 22 HA SER 22 0.719 -6.113 7.571 166 HB2 SER 22 2HB SER 22 2.686 -6.703 9.789 167 HB3 SER 22 1HB SER 22 1.620 -5.308 9.625 168 HG SER 22 HG SER 22 0.092 -6.396 10.581 169 H PHE 23 H PHE 23 1.747 -5.748 5.601 170 HA PHE 23 HA PHE 23 4.654 -6.127 5.530 171 HB2 PHE 23 2HB PHE 23 3.310 -7.323 3.838 172 HB3 PHE 23 1HB PHE 23 2.715 -5.780 3.233 173 HD1 PHE 23 HD1 PHE 23 5.885 -7.631 3.843 174 HD2 PHE 23 HD2 PHE 23 3.828 -4.736 1.505 175 HE1 PHE 23 HE1 PHE 23 7.812 -7.504 2.318 176 HE2 PHE 23 HE2 PHE 23 5.748 -4.601 -0.027 177 HZ PHE 23 HZ PHE 23 7.742 -5.985 0.379 178 H GLU 24 H GLU 24 6.014 -4.500 5.328 179 HA GLU 24 HA GLU 24 5.023 -1.787 5.131 180 HB2 GLU 24 2HB GLU 24 6.821 -2.386 6.726 181 HB3 GLU 24 1HB GLU 24 7.848 -2.857 5.380 182 HG2 GLU 24 2HG GLU 24 7.899 -0.585 4.578 183 HG3 GLU 24 1HG GLU 24 6.770 -0.087 5.836 184 H LEU 25 H LEU 25 4.418 -1.239 3.093 185 HA LEU 25 HA LEU 25 5.890 -2.419 0.852 186 HB2 LEU 25 2HB LEU 25 3.290 -2.456 1.266 187 HB3 LEU 25 1HB LEU 25 3.359 -0.865 0.539 188 HG LEU 25 HG LEU 25 4.443 -3.323 -0.837 189 HD11 LEU 25 1HD1 LEU 25 2.352 -3.397 -2.088 190 HD12 LEU 25 2HD1 LEU 25 1.707 -2.082 -1.105 191 HD13 LEU 25 3HD1 LEU 25 2.062 -3.643 -0.364 192 HD21 LEU 25 3HD2 LEU 25 3.574 -0.636 -1.899 193 HD22 LEU 25 1HD2 LEU 25 4.241 -1.970 -2.840 194 HD23 LEU 25 2HD2 LEU 25 5.246 -1.141 -1.652 195 H GLU 26 H GLU 26 7.174 -1.267 -0.395 196 HA GLU 26 HA GLU 26 7.615 1.530 0.121 197 HB2 GLU 26 2HB GLU 26 9.476 -0.041 -0.287 198 HB3 GLU 26 1HB GLU 26 8.863 -0.340 -1.906 199 HG2 GLU 26 2HG GLU 26 10.635 1.160 -2.178 200 HG3 GLU 26 1HG GLU 26 9.176 2.135 -2.329 201 H VAL 27 H VAL 27 6.084 2.879 -0.704 202 HA VAL 27 HA VAL 27 5.562 2.664 -3.601 203 HB VAL 27 HB VAL 27 3.413 3.821 -3.241 204 HG11 VAL 27 1HG1 VAL 27 2.201 1.919 -2.285 205 HG12 VAL 27 2HG1 VAL 27 3.722 1.264 -1.676 206 HG13 VAL 27 3HG1 VAL 27 3.453 1.400 -3.415 207 HG21 VAL 27 3HG2 VAL 27 3.999 3.426 -0.307 208 HG22 VAL 27 1HG2 VAL 27 2.465 3.972 -0.983 209 HG23 VAL 27 2HG2 VAL 27 3.910 4.971 -1.154 210 H ASP 28 H ASP 28 5.181 4.734 -4.684 211 HA ASP 28 HA ASP 28 6.630 6.942 -3.374 212 HB2 ASP 28 2HB ASP 28 7.651 5.896 -5.470 213 HB3 ASP 28 1HB ASP 28 6.273 6.545 -6.353 214 H TYR 29 H TYR 29 5.830 9.102 -3.894 215 HA TYR 29 HA TYR 29 2.981 9.227 -3.795 216 HB2 TYR 29 2HB TYR 29 5.175 11.273 -3.810 217 HB3 TYR 29 1HB TYR 29 3.501 11.772 -4.016 218 HD1 TYR 29 HD1 TYR 29 1.824 11.048 -2.219 219 HD2 TYR 29 HD2 TYR 29 6.042 10.920 -1.649 220 HE1 TYR 29 HE1 TYR 29 1.488 11.007 0.216 221 HE2 TYR 29 HE2 TYR 29 5.712 10.877 0.788 222 HH TYR 29 HH TYR 29 2.685 10.301 2.220 223 H ARG 30 H ARG 30 5.249 9.080 -6.291 224 HA ARG 30 HA ARG 30 3.533 10.361 -8.267 225 HB2 ARG 30 2HB ARG 30 6.227 9.010 -8.458 226 HB3 ARG 30 1HB ARG 30 5.374 9.674 -9.846 227 HG2 ARG 30 2HG ARG 30 5.607 11.874 -9.086 228 HG3 ARG 30 1HG ARG 30 5.993 11.355 -7.444 229 HD2 ARG 30 2HD ARG 30 7.744 10.836 -9.841 230 HD3 ARG 30 1HD ARG 30 7.949 12.199 -8.741 231 HE ARG 30 HE ARG 30 7.902 9.876 -7.190 232 HH11 ARG 30 1HH1 ARG 30 9.927 11.352 -9.652 233 HH12 ARG 30 2HH1 ARG 30 11.386 10.579 -9.088 234 HH21 ARG 30 1HH2 ARG 30 9.816 8.901 -6.426 235 HH22 ARG 30 2HH2 ARG 30 11.321 9.201 -7.253 236 H ASP 31 H ASP 31 3.376 7.514 -6.748 237 HA ASP 31 HA ASP 31 2.716 5.894 -9.083 238 HB2 ASP 31 2HB ASP 31 2.915 5.334 -6.139 239 HB3 ASP 31 1HB ASP 31 2.022 4.236 -7.184 240 H THR 32 H THR 32 0.631 5.008 -9.406 241 HA THR 32 HA THR 32 -1.534 6.683 -8.350 242 HB THR 32 HB THR 32 -1.662 4.782 -10.699 243 HG1 THR 32 HG1 THR 32 -1.150 6.560 -11.992 244 HG21 THR 32 3HG2 THR 32 -3.826 5.505 -9.790 245 HG22 THR 32 1HG2 THR 32 -3.545 6.191 -11.389 246 HG23 THR 32 2HG2 THR 32 -3.328 7.190 -9.952 247 H LEU 33 H LEU 33 -3.566 5.623 -7.717 248 HA LEU 33 HA LEU 33 -3.176 3.524 -5.920 249 HB2 LEU 33 2HB LEU 33 -5.079 5.207 -5.973 250 HB3 LEU 33 1HB LEU 33 -5.827 4.186 -7.188 251 HG LEU 33 HG LEU 33 -5.636 2.295 -5.473 252 HD11 LEU 33 1HD1 LEU 33 -4.061 3.401 -3.983 253 HD12 LEU 33 2HD1 LEU 33 -5.553 2.985 -3.139 254 HD13 LEU 33 3HD1 LEU 33 -5.256 4.651 -3.635 255 HD21 LEU 33 3HD2 LEU 33 -7.474 4.634 -5.001 256 HD22 LEU 33 1HD2 LEU 33 -7.693 3.024 -4.317 257 HD23 LEU 33 2HD2 LEU 33 -7.758 3.255 -6.063 258 H LEU 34 H LEU 34 -4.383 3.467 -9.245 259 HA LEU 34 HA LEU 34 -5.048 0.734 -9.339 260 HB2 LEU 34 2HB LEU 34 -5.722 2.422 -11.025 261 HB3 LEU 34 1HB LEU 34 -4.064 2.490 -11.590 262 HG LEU 34 HG LEU 34 -4.211 0.097 -12.222 263 HD11 LEU 34 1HD1 LEU 34 -6.388 -0.988 -12.309 264 HD12 LEU 34 2HD1 LEU 34 -7.126 0.409 -11.526 265 HD13 LEU 34 3HD1 LEU 34 -5.953 -0.577 -10.650 266 HD21 LEU 34 3HD2 LEU 34 -4.600 1.832 -13.881 267 HD22 LEU 34 1HD2 LEU 34 -6.307 1.891 -13.440 268 HD23 LEU 34 2HD2 LEU 34 -5.637 0.438 -14.183 269 H VAL 35 H VAL 35 -2.010 2.321 -9.280 270 HA VAL 35 HA VAL 35 -0.576 0.100 -10.496 271 HB VAL 35 HB VAL 35 0.543 2.615 -9.244 272 HG11 VAL 35 1HG1 VAL 35 2.577 2.057 -10.493 273 HG12 VAL 35 2HG1 VAL 35 1.817 0.576 -11.074 274 HG13 VAL 35 3HG1 VAL 35 2.151 0.778 -9.355 275 HG21 VAL 35 3HG2 VAL 35 -0.894 3.166 -11.129 276 HG22 VAL 35 1HG2 VAL 35 -0.048 1.995 -12.140 277 HG23 VAL 35 2HG2 VAL 35 0.798 3.426 -11.552 278 H VAL 36 H VAL 36 -1.147 1.505 -7.293 279 HA VAL 36 HA VAL 36 0.816 -0.064 -5.977 280 HB VAL 36 HB VAL 36 -0.200 1.989 -4.975 281 HG11 VAL 36 1HG1 VAL 36 -2.305 1.817 -3.767 282 HG12 VAL 36 2HG1 VAL 36 -2.528 0.179 -4.383 283 HG13 VAL 36 3HG1 VAL 36 -2.537 1.547 -5.495 284 HG21 VAL 36 3HG2 VAL 36 -0.347 -0.488 -3.266 285 HG22 VAL 36 1HG2 VAL 36 -0.177 1.167 -2.681 286 HG23 VAL 36 2HG2 VAL 36 1.113 0.430 -3.631 287 H LYS 37 H LYS 37 -2.510 -0.669 -6.905 288 HA LYS 37 HA LYS 37 -2.939 -3.047 -5.482 289 HB2 LYS 37 2HB LYS 37 -3.943 -2.129 -8.176 290 HB3 LYS 37 1HB LYS 37 -4.450 -3.643 -7.442 291 HG2 LYS 37 2HG LYS 37 -5.276 -2.341 -5.487 292 HG3 LYS 37 1HG LYS 37 -4.912 -0.864 -6.385 293 HD2 LYS 37 2HD LYS 37 -6.456 -1.501 -8.135 294 HD3 LYS 37 1HD LYS 37 -6.742 -3.059 -7.357 295 HE2 LYS 37 2HE LYS 37 -7.693 -1.895 -5.415 296 HE3 LYS 37 1HE LYS 37 -7.443 -0.351 -6.226 297 HZ1 LYS 37 3HZ LYS 37 -8.953 -1.086 -7.990 298 HZ2 LYS 37 1HZ LYS 37 -9.718 -1.091 -6.474 299 HZ3 LYS 37 2HZ LYS 37 -9.210 -2.550 -7.175 300 H GLN 38 H GLN 38 -1.226 -2.380 -8.464 301 HA GLN 38 HA GLN 38 -0.832 -5.093 -9.219 302 HB2 GLN 38 2HB GLN 38 0.729 -2.626 -10.008 303 HB3 GLN 38 1HB GLN 38 0.786 -4.182 -10.827 304 HG2 GLN 38 2HG GLN 38 -1.537 -3.972 -11.457 305 HG3 GLN 38 1HG GLN 38 -1.672 -2.464 -10.558 306 HE21 GLN 38 1HE2 GLN 38 -2.278 -1.284 -12.333 307 HE22 GLN 38 2HE2 GLN 38 -1.204 -0.904 -13.638 308 H LYS 39 H LYS 39 0.817 -2.878 -7.119 309 HA LYS 39 HA LYS 39 3.215 -4.420 -6.817 310 HB2 LYS 39 2HB LYS 39 2.050 -2.406 -4.886 311 HB3 LYS 39 1HB LYS 39 3.723 -2.928 -4.980 312 HG2 LYS 39 2HG LYS 39 4.048 -1.783 -7.035 313 HG3 LYS 39 1HG LYS 39 2.320 -1.453 -7.192 314 HD2 LYS 39 2HD LYS 39 2.484 -0.153 -5.043 315 HD3 LYS 39 1HD LYS 39 4.235 -0.322 -5.158 316 HE2 LYS 39 2HE LYS 39 2.586 0.845 -7.381 317 HE3 LYS 39 1HE LYS 39 3.196 1.831 -6.056 318 HZ1 LYS 39 3HZ LYS 39 4.617 1.837 -8.053 319 HZ2 LYS 39 1HZ LYS 39 4.917 0.178 -7.829 320 HZ3 LYS 39 2HZ LYS 39 5.426 1.298 -6.662 321 H ILE 40 H ILE 40 0.183 -4.052 -5.046 322 HA ILE 40 HA ILE 40 0.852 -5.727 -2.872 323 HB ILE 40 HB ILE 40 -1.882 -4.990 -3.936 324 HG12 ILE 40 2HG1 ILE 40 -0.224 -3.760 -1.723 325 HG13 ILE 40 1HG1 ILE 40 -0.473 -3.055 -3.315 326 HG21 ILE 40 1HG2 ILE 40 -1.959 -6.948 -2.476 327 HG22 ILE 40 2HG2 ILE 40 -2.701 -5.546 -1.706 328 HG23 ILE 40 3HG2 ILE 40 -1.082 -6.060 -1.231 329 HD11 ILE 40 3HD1 ILE 40 -2.595 -3.547 -1.240 330 HD12 ILE 40 1HD1 ILE 40 -2.871 -2.873 -2.847 331 HD13 ILE 40 2HD1 ILE 40 -1.892 -1.991 -1.675 332 H GLU 41 H GLU 41 -0.490 -6.360 -6.036 333 HA GLU 41 HA GLU 41 -1.535 -8.923 -5.548 334 HB2 GLU 41 2HB GLU 41 -2.011 -7.533 -7.566 335 HB3 GLU 41 1HB GLU 41 -0.390 -7.890 -8.150 336 HG2 GLU 41 2HG GLU 41 -0.912 -10.240 -8.286 337 HG3 GLU 41 1HG GLU 41 -2.504 -9.957 -7.583 338 H ARG 42 H ARG 42 1.720 -7.822 -5.989 339 HA ARG 42 HA ARG 42 2.699 -10.546 -6.369 340 HB2 ARG 42 2HB ARG 42 3.709 -8.800 -7.744 341 HB3 ARG 42 1HB ARG 42 4.172 -7.905 -6.303 342 HG2 ARG 42 2HG ARG 42 5.699 -9.661 -5.655 343 HG3 ARG 42 1HG ARG 42 5.186 -10.648 -7.024 344 HD2 ARG 42 2HD ARG 42 6.504 -7.943 -7.218 345 HD3 ARG 42 1HD ARG 42 7.324 -9.490 -7.431 346 HE ARG 42 HE ARG 42 5.050 -9.024 -9.171 347 HH11 ARG 42 1HH1 ARG 42 8.521 -8.745 -8.776 348 HH12 ARG 42 2HH1 ARG 42 8.840 -8.767 -10.489 349 HH21 ARG 42 1HH2 ARG 42 5.459 -9.028 -11.408 350 HH22 ARG 42 2HH2 ARG 42 7.097 -8.928 -11.983 351 H SER 43 H SER 43 2.860 -7.899 -4.024 352 HA SER 43 HA SER 43 4.671 -9.254 -2.284 353 HB2 SER 43 2HB SER 43 3.955 -7.355 -0.692 354 HB3 SER 43 1HB SER 43 4.774 -6.906 -2.188 355 HG SER 43 HG SER 43 2.952 -6.083 -2.970 356 H GLN 44 H GLN 44 1.171 -8.614 -2.154 357 HA GLN 44 HA GLN 44 0.949 -10.397 0.155 358 HB2 GLN 44 2HB GLN 44 -1.005 -8.534 -1.186 359 HB3 GLN 44 1HB GLN 44 -1.486 -9.663 0.075 360 HG2 GLN 44 2HG GLN 44 0.573 -7.485 0.365 361 HG3 GLN 44 1HG GLN 44 -1.089 -7.418 0.953 362 HE21 GLN 44 1HE2 GLN 44 1.417 -7.238 2.429 363 HE22 GLN 44 2HE2 GLN 44 1.398 -8.519 3.593 364 H HIS 45 H HIS 45 0.766 -10.493 -3.182 365 HA HIS 45 HA HIS 45 0.359 -12.166 -4.649 366 HB2 HIS 45 2HB HIS 45 -0.076 -13.831 -2.162 367 HB3 HIS 45 1HB HIS 45 -0.016 -14.479 -3.797 368 HD1 HIS 45 HD1 HIS 45 2.287 -14.690 -4.915 369 HD2 HIS 45 HD2 HIS 45 2.398 -13.014 -1.107 370 HE1 HIS 45 HE1 HIS 45 4.716 -14.654 -4.255 371 HE2 HIS 45 HE2 HIS 45 4.770 -13.456 -2.036 372 H ILE 46 H ILE 46 -1.867 -10.564 -3.153 373 HA ILE 46 HA ILE 46 -4.139 -12.234 -3.899 374 HB ILE 46 HB ILE 46 -5.514 -10.377 -2.920 375 HG12 ILE 46 2HG1 ILE 46 -2.817 -9.371 -1.980 376 HG13 ILE 46 1HG1 ILE 46 -3.859 -8.567 -3.148 377 HG21 ILE 46 1HG2 ILE 46 -3.493 -11.740 -1.155 378 HG22 ILE 46 2HG2 ILE 46 -5.062 -12.371 -1.658 379 HG23 ILE 46 3HG2 ILE 46 -4.975 -10.972 -0.586 380 HD11 ILE 46 3HD1 ILE 46 -5.563 -8.276 -1.414 381 HD12 ILE 46 1HD1 ILE 46 -4.030 -7.527 -0.969 382 HD13 ILE 46 2HD1 ILE 46 -4.500 -9.066 -0.249 383 HA PRO 47 HA PRO 47 -4.436 -10.421 -7.924 384 HB2 PRO 47 2HB PRO 47 -7.323 -11.038 -7.543 385 HB3 PRO 47 1HB PRO 47 -6.239 -11.497 -8.861 386 HG2 PRO 47 2HG PRO 47 -6.977 -13.284 -7.040 387 HG3 PRO 47 1HG PRO 47 -5.315 -13.259 -7.661 388 HD2 PRO 47 2HD PRO 47 -6.384 -12.262 -5.054 389 HD3 PRO 47 1HD PRO 47 -4.855 -13.094 -5.403 390 H VAL 48 H VAL 48 -4.932 -8.478 -8.770 391 HA VAL 48 HA VAL 48 -5.556 -6.279 -7.227 392 HB VAL 48 HB VAL 48 -5.963 -6.680 -10.197 393 HG11 VAL 48 1HG1 VAL 48 -5.967 -4.248 -10.405 394 HG12 VAL 48 2HG1 VAL 48 -5.918 -4.093 -8.649 395 HG13 VAL 48 3HG1 VAL 48 -7.329 -4.805 -9.431 396 HG21 VAL 48 3HG2 VAL 48 -3.726 -5.428 -8.610 397 HG22 VAL 48 1HG2 VAL 48 -3.838 -5.444 -10.371 398 HG23 VAL 48 2HG2 VAL 48 -3.668 -6.959 -9.484 399 H SER 49 H SER 49 -7.760 -8.374 -9.010 400 HA SER 49 HA SER 49 -10.037 -6.687 -8.731 401 HB2 SER 49 2HB SER 49 -10.053 -9.654 -9.281 402 HB3 SER 49 1HB SER 49 -11.246 -8.451 -9.777 403 HG SER 49 HG SER 49 -10.011 -7.857 -11.396 404 H LYS 50 H LYS 50 -8.417 -8.459 -6.446 405 HA LYS 50 HA LYS 50 -10.871 -8.937 -4.881 406 HB2 LYS 50 2HB LYS 50 -8.245 -10.408 -4.933 407 HB3 LYS 50 1HB LYS 50 -9.366 -10.566 -3.589 408 HG2 LYS 50 2HG LYS 50 -11.070 -11.433 -5.069 409 HG3 LYS 50 1HG LYS 50 -10.015 -11.188 -6.463 410 HD2 LYS 50 2HD LYS 50 -8.458 -12.820 -5.635 411 HD3 LYS 50 1HD LYS 50 -9.357 -12.972 -4.125 412 HE2 LYS 50 2HE LYS 50 -10.491 -13.635 -6.835 413 HE3 LYS 50 1HE LYS 50 -9.736 -14.820 -5.771 414 HZ1 LYS 50 3HZ LYS 50 -11.408 -14.341 -4.095 415 HZ2 LYS 50 1HZ LYS 50 -12.139 -14.830 -5.544 416 HZ3 LYS 50 2HZ LYS 50 -12.137 -13.192 -5.108 417 H GLN 51 H GLN 51 -8.593 -6.711 -5.180 418 HA GLN 51 HA GLN 51 -7.754 -6.567 -2.396 419 HB2 GLN 51 2HB GLN 51 -6.996 -4.932 -4.813 420 HB3 GLN 51 1HB GLN 51 -6.385 -4.630 -3.193 421 HG2 GLN 51 2HG GLN 51 -5.365 -6.830 -3.137 422 HG3 GLN 51 1HG GLN 51 -6.021 -7.187 -4.735 423 HE21 GLN 51 1HE2 GLN 51 -3.964 -7.523 -5.576 424 HE22 GLN 51 2HE2 GLN 51 -2.898 -6.201 -5.921 425 H THR 52 H THR 52 -9.375 -5.841 -1.143 426 HA THR 52 HA THR 52 -10.863 -3.463 -1.914 427 HB THR 52 HB THR 52 -11.005 -4.981 0.701 428 HG1 THR 52 HG1 THR 52 -11.701 -6.505 -0.637 429 HG21 THR 52 3HG2 THR 52 -13.245 -4.001 0.854 430 HG22 THR 52 1HG2 THR 52 -12.981 -3.151 -0.670 431 HG23 THR 52 2HG2 THR 52 -12.010 -2.748 0.747 432 H LEU 53 H LEU 53 -9.474 -1.769 -1.860 433 HA LEU 53 HA LEU 53 -7.506 -1.459 0.207 434 HB2 LEU 53 2HB LEU 53 -8.383 0.510 -1.905 435 HB3 LEU 53 1HB LEU 53 -6.944 0.632 -0.914 436 HG LEU 53 HG LEU 53 -7.475 -1.484 -3.004 437 HD11 LEU 53 1HD1 LEU 53 -7.016 0.708 -3.958 438 HD12 LEU 53 2HD1 LEU 53 -5.663 -0.392 -4.225 439 HD13 LEU 53 3HD1 LEU 53 -5.560 0.845 -2.971 440 HD21 LEU 53 3HD2 LEU 53 -5.163 -2.172 -2.604 441 HD22 LEU 53 1HD2 LEU 53 -6.151 -2.363 -1.156 442 HD23 LEU 53 2HD2 LEU 53 -5.040 -1.001 -1.291 443 H ILE 54 H ILE 54 -8.713 -1.347 2.120 444 HA ILE 54 HA ILE 54 -10.553 0.890 2.445 445 HB ILE 54 HB ILE 54 -9.744 -1.233 4.443 446 HG12 ILE 54 2HG1 ILE 54 -12.262 -1.001 2.774 447 HG13 ILE 54 1HG1 ILE 54 -10.951 -2.135 2.469 448 HG21 ILE 54 1HG2 ILE 54 -11.717 -0.479 5.703 449 HG22 ILE 54 2HG2 ILE 54 -11.968 0.809 4.523 450 HG23 ILE 54 3HG2 ILE 54 -10.518 0.803 5.527 451 HD11 ILE 54 3HD1 ILE 54 -12.829 -3.203 3.585 452 HD12 ILE 54 1HD1 ILE 54 -12.683 -2.073 4.930 453 HD13 ILE 54 2HD1 ILE 54 -11.386 -3.223 4.600 454 H VAL 55 H VAL 55 -9.584 2.782 2.729 455 HA VAL 55 HA VAL 55 -7.256 2.924 4.524 456 HB VAL 55 HB VAL 55 -8.210 4.994 2.529 457 HG11 VAL 55 1HG1 VAL 55 -7.010 5.954 4.412 458 HG12 VAL 55 2HG1 VAL 55 -6.047 6.053 2.938 459 HG13 VAL 55 3HG1 VAL 55 -5.677 4.828 4.152 460 HG21 VAL 55 3HG2 VAL 55 -7.392 2.988 1.395 461 HG22 VAL 55 1HG2 VAL 55 -5.899 3.062 2.331 462 HG23 VAL 55 2HG2 VAL 55 -6.279 4.340 1.175 463 H ASP 56 H ASP 56 -7.534 3.770 6.464 464 HA ASP 56 HA ASP 56 -8.421 4.800 8.272 465 HB2 ASP 56 2HB ASP 56 -9.967 6.341 6.183 466 HB3 ASP 56 1HB ASP 56 -10.206 6.597 7.908 467 H GLY 57 H GLY 57 -11.300 4.719 6.207 468 HA2 GLY 57 2HA GLY 57 -12.220 2.257 7.393 469 HA3 GLY 57 1HA GLY 57 -13.117 3.674 7.924 470 H ILE 58 H ILE 58 -11.831 3.860 4.773 471 HA ILE 58 HA ILE 58 -14.420 3.138 3.583 472 HB ILE 58 HB ILE 58 -12.860 5.672 3.030 473 HG12 ILE 58 2HG1 ILE 58 -14.229 5.741 5.092 474 HG13 ILE 58 1HG1 ILE 58 -14.820 6.854 3.864 475 HG21 ILE 58 1HG2 ILE 58 -14.639 6.234 1.446 476 HG22 ILE 58 2HG2 ILE 58 -15.369 4.650 1.713 477 HG23 ILE 58 3HG2 ILE 58 -13.773 4.770 0.972 478 HD11 ILE 58 3HD1 ILE 58 -15.989 4.160 4.521 479 HD12 ILE 58 1HD1 ILE 58 -16.581 5.265 3.282 480 HD13 ILE 58 2HD1 ILE 58 -16.649 5.729 4.983 481 H VAL 59 H VAL 59 -14.220 1.931 1.767 482 HA VAL 59 HA VAL 59 -11.613 1.259 0.777 483 HB VAL 59 HB VAL 59 -13.351 -0.442 0.717 484 HG11 VAL 59 1HG1 VAL 59 -15.268 -0.305 -0.778 485 HG12 VAL 59 2HG1 VAL 59 -14.789 1.322 -1.262 486 HG13 VAL 59 3HG1 VAL 59 -15.294 1.009 0.399 487 HG21 VAL 59 3HG2 VAL 59 -12.530 0.417 -2.057 488 HG22 VAL 59 1HG2 VAL 59 -13.114 -1.187 -1.613 489 HG23 VAL 59 2HG2 VAL 59 -11.591 -0.588 -0.954 490 H ILE 60 H ILE 60 -10.474 2.275 -0.747 491 HA ILE 60 HA ILE 60 -11.610 4.634 -1.972 492 HB ILE 60 HB ILE 60 -8.860 3.478 -2.444 493 HG12 ILE 60 2HG1 ILE 60 -9.195 3.838 -0.045 494 HG13 ILE 60 1HG1 ILE 60 -8.082 5.034 -0.696 495 HG21 ILE 60 1HG2 ILE 60 -8.283 5.775 -3.057 496 HG22 ILE 60 2HG2 ILE 60 -9.952 6.272 -2.775 497 HG23 ILE 60 3HG2 ILE 60 -9.575 5.143 -4.077 498 HD11 ILE 60 3HD1 ILE 60 -9.616 6.046 0.877 499 HD12 ILE 60 1HD1 ILE 60 -10.991 5.480 -0.072 500 HD13 ILE 60 2HD1 ILE 60 -9.888 6.679 -0.746 501 H LEU 61 H LEU 61 -12.751 4.544 -3.751 502 HA LEU 61 HA LEU 61 -12.419 2.279 -5.582 503 HB2 LEU 61 2HB LEU 61 -14.580 4.384 -5.452 504 HB3 LEU 61 1HB LEU 61 -14.574 2.991 -6.516 505 HG LEU 61 HG LEU 61 -14.688 2.872 -3.501 506 HD11 LEU 61 1HD1 LEU 61 -17.002 2.137 -3.849 507 HD12 LEU 61 2HD1 LEU 61 -16.830 2.448 -5.577 508 HD13 LEU 61 3HD1 LEU 61 -16.733 3.781 -4.426 509 HD21 LEU 61 3HD2 LEU 61 -13.588 0.931 -4.479 510 HD22 LEU 61 1HD2 LEU 61 -14.947 0.704 -5.581 511 HD23 LEU 61 2HD2 LEU 61 -15.177 0.506 -3.843 512 H ARG 62 H ARG 62 -11.513 5.510 -5.284 513 HA ARG 62 HA ARG 62 -11.481 6.082 -8.125 514 HB2 ARG 62 2HB ARG 62 -10.214 7.649 -5.872 515 HB3 ARG 62 1HB ARG 62 -10.504 8.216 -7.510 516 HG2 ARG 62 2HG ARG 62 -12.598 7.532 -5.455 517 HG3 ARG 62 1HG ARG 62 -12.137 9.147 -5.995 518 HD2 ARG 62 2HD ARG 62 -12.897 8.591 -8.263 519 HD3 ARG 62 1HD ARG 62 -13.381 6.991 -7.699 520 HE ARG 62 HE ARG 62 -14.560 9.272 -6.325 521 HH11 ARG 62 1HH1 ARG 62 -14.915 6.773 -8.764 522 HH12 ARG 62 2HH1 ARG 62 -16.649 6.898 -8.816 523 HH21 ARG 62 1HH2 ARG 62 -16.829 9.454 -6.420 524 HH22 ARG 62 2HH2 ARG 62 -17.731 8.434 -7.499 525 H GLU 63 H GLU 63 -10.186 4.449 -8.923 526 HA GLU 63 HA GLU 63 -7.634 3.827 -7.772 527 HB2 GLU 63 2HB GLU 63 -8.877 2.920 -10.374 528 HB3 GLU 63 1HB GLU 63 -7.495 2.180 -9.574 529 HG2 GLU 63 2HG GLU 63 -8.837 1.441 -7.756 530 HG3 GLU 63 1HG GLU 63 -10.212 2.396 -8.307 531 H ASP 64 H ASP 64 -8.714 6.140 -9.974 532 HA ASP 64 HA ASP 64 -6.224 6.251 -11.477 533 HB2 ASP 64 2HB ASP 64 -7.368 7.971 -12.814 534 HB3 ASP 64 1HB ASP 64 -8.317 6.493 -12.707 535 H LEU 65 H LEU 65 -6.940 7.193 -8.526 536 HA LEU 65 HA LEU 65 -5.899 9.899 -8.681 537 HB2 LEU 65 2HB LEU 65 -6.736 8.204 -6.334 538 HB3 LEU 65 1HB LEU 65 -6.083 9.822 -6.179 539 HG LEU 65 HG LEU 65 -8.686 9.040 -7.489 540 HD11 LEU 65 1HD1 LEU 65 -9.655 10.426 -5.715 541 HD12 LEU 65 2HD1 LEU 65 -8.045 10.681 -5.042 542 HD13 LEU 65 3HD1 LEU 65 -8.746 9.063 -5.062 543 HD21 LEU 65 3HD2 LEU 65 -9.025 11.428 -7.875 544 HD22 LEU 65 1HD2 LEU 65 -7.616 10.838 -8.756 545 HD23 LEU 65 2HD2 LEU 65 -7.403 11.764 -7.269 546 H THR 66 H THR 66 -3.844 10.423 -8.456 547 HA THR 66 HA THR 66 -1.802 8.482 -8.018 548 HB THR 66 HB THR 66 -1.409 11.461 -7.786 549 HG1 THR 66 HG1 THR 66 -1.475 10.072 -10.266 550 HG21 THR 66 3HG2 THR 66 0.529 10.003 -7.413 551 HG22 THR 66 1HG2 THR 66 0.718 10.970 -8.877 552 HG23 THR 66 2HG2 THR 66 0.276 9.267 -8.995 553 H VAL 67 H VAL 67 -0.462 8.234 -6.189 554 HA VAL 67 HA VAL 67 -1.650 8.382 -3.687 555 HB VAL 67 HB VAL 67 1.306 8.299 -4.328 556 HG11 VAL 67 1HG1 VAL 67 1.576 7.340 -2.080 557 HG12 VAL 67 2HG1 VAL 67 -0.132 7.644 -1.756 558 HG13 VAL 67 3HG1 VAL 67 0.968 8.995 -2.026 559 HG21 VAL 67 3HG2 VAL 67 1.083 5.895 -3.998 560 HG22 VAL 67 1HG2 VAL 67 0.037 6.455 -5.301 561 HG23 VAL 67 2HG2 VAL 67 -0.649 6.082 -3.719 562 H GLU 68 H GLU 68 0.563 10.688 -5.229 563 HA GLU 68 HA GLU 68 0.768 12.410 -2.984 564 HB2 GLU 68 2HB GLU 68 2.258 12.320 -5.096 565 HB3 GLU 68 1HB GLU 68 1.036 13.350 -5.824 566 HG2 GLU 68 2HG GLU 68 1.403 15.060 -4.201 567 HG3 GLU 68 1HG GLU 68 2.478 14.016 -3.274 568 H GLN 69 H GLN 69 -1.360 12.395 -5.822 569 HA GLN 69 HA GLN 69 -2.640 14.843 -5.270 570 HB2 GLN 69 2HB GLN 69 -3.529 12.431 -6.840 571 HB3 GLN 69 1HB GLN 69 -4.496 13.894 -6.719 572 HG2 GLN 69 2HG GLN 69 -2.488 15.136 -7.624 573 HG3 GLN 69 1HG GLN 69 -1.799 13.552 -7.993 574 HE21 GLN 69 1HE2 GLN 69 -2.696 12.318 -9.645 575 HE22 GLN 69 2HE2 GLN 69 -3.844 12.967 -10.768 576 H CYS 70 H CYS 70 -3.276 11.556 -4.209 577 HA CYS 70 HA CYS 70 -5.758 12.280 -2.927 578 HB2 CYS 70 2HB CYS 70 -5.334 10.012 -3.913 579 HB3 CYS 70 1HB CYS 70 -4.150 9.730 -2.642 580 HG CYS 70 HG CYS 70 -7.074 10.642 -1.361 581 H GLN 71 H GLN 71 -2.457 12.444 -2.175 582 HA GLN 71 HA GLN 71 -1.263 12.963 -0.318 583 HB2 GLN 71 2HB GLN 71 -3.986 13.944 0.519 584 HB3 GLN 71 1HB GLN 71 -2.576 14.118 1.553 585 HG2 GLN 71 2HG GLN 71 -2.745 15.195 -1.249 586 HG3 GLN 71 1HG GLN 71 -3.147 16.125 0.193 587 HE21 GLN 71 1HE2 GLN 71 -0.611 14.734 -1.706 588 HE22 GLN 71 2HE2 GLN 71 0.706 15.488 -0.870 589 H ILE 72 H ILE 72 -1.931 10.323 -0.567 590 HA ILE 72 HA ILE 72 -3.114 9.199 1.753 591 HB ILE 72 HB ILE 72 -1.151 7.906 -0.151 592 HG12 ILE 72 2HG1 ILE 72 -4.180 7.889 -0.175 593 HG13 ILE 72 1HG1 ILE 72 -3.160 8.796 -1.287 594 HG21 ILE 72 1HG2 ILE 72 -2.103 5.795 0.636 595 HG22 ILE 72 2HG2 ILE 72 -3.123 6.675 1.773 596 HG23 ILE 72 3HG2 ILE 72 -1.369 6.700 1.960 597 HD11 ILE 72 3HD1 ILE 72 -4.005 6.763 -2.310 598 HD12 ILE 72 1HD1 ILE 72 -3.257 5.801 -1.037 599 HD13 ILE 72 2HD1 ILE 72 -2.248 6.712 -2.159 600 H VAL 73 H VAL 73 -2.307 9.396 3.732 601 HA VAL 73 HA VAL 73 0.593 9.578 4.087 602 HB VAL 73 HB VAL 73 0.010 10.290 6.437 603 HG11 VAL 73 1HG1 VAL 73 -0.683 12.561 5.762 604 HG12 VAL 73 2HG1 VAL 73 -1.028 11.950 4.143 605 HG13 VAL 73 3HG1 VAL 73 0.623 11.922 4.766 606 HG21 VAL 73 3HG2 VAL 73 -2.780 10.478 5.297 607 HG22 VAL 73 1HG2 VAL 73 -2.261 11.050 6.882 608 HG23 VAL 73 2HG2 VAL 73 -2.249 9.325 6.520 609 HA PRO 74 HA PRO 74 0.658 5.401 5.548 610 HB2 PRO 74 2HB PRO 74 3.321 5.970 6.582 611 HB3 PRO 74 1HB PRO 74 2.851 4.952 5.221 612 HG2 PRO 74 2HG PRO 74 4.166 7.291 4.900 613 HG3 PRO 74 1HG PRO 74 3.010 6.671 3.707 614 HD2 PRO 74 2HD PRO 74 2.618 8.771 5.813 615 HD3 PRO 74 1HD PRO 74 2.082 8.758 4.117 616 H THR 75 H THR 75 -0.628 7.211 7.335 617 HA THR 75 HA THR 75 0.372 6.178 9.901 618 HB THR 75 HB THR 75 0.938 8.607 9.608 619 HG1 THR 75 HG1 THR 75 0.179 7.386 11.693 620 HG21 THR 75 3HG2 THR 75 -0.883 10.248 9.848 621 HG22 THR 75 1HG2 THR 75 -2.062 8.943 9.720 622 HG23 THR 75 2HG2 THR 75 -1.018 9.325 8.351 623 H SER 76 H SER 76 -2.157 6.353 7.722 624 HA SER 76 HA SER 76 -4.276 6.260 9.703 625 HB2 SER 76 2HB SER 76 -5.685 5.918 7.557 626 HB3 SER 76 1HB SER 76 -4.927 7.489 7.820 627 HG SER 76 HG SER 76 -4.397 6.990 5.768 628 H ASP 77 H ASP 77 -5.895 4.499 9.596 629 HA ASP 77 HA ASP 77 -4.536 1.951 9.713 630 HB2 ASP 77 2HB ASP 77 -6.207 2.615 11.423 631 HB3 ASP 77 1HB ASP 77 -7.453 2.611 10.181 632 H ILE 78 H ILE 78 -4.131 0.998 7.839 633 HA ILE 78 HA ILE 78 -6.261 0.941 5.811 634 HB ILE 78 HB ILE 78 -3.292 0.521 5.396 635 HG12 ILE 78 2HG1 ILE 78 -5.042 2.875 4.638 636 HG13 ILE 78 1HG1 ILE 78 -3.898 2.861 5.976 637 HG21 ILE 78 1HG2 ILE 78 -5.567 0.716 3.420 638 HG22 ILE 78 2HG2 ILE 78 -4.633 -0.729 3.805 639 HG23 ILE 78 3HG2 ILE 78 -3.855 0.634 3.002 640 HD11 ILE 78 3HD1 ILE 78 -2.065 2.536 4.398 641 HD12 ILE 78 1HD1 ILE 78 -2.980 4.001 4.045 642 HD13 ILE 78 2HD1 ILE 78 -3.213 2.557 3.061 643 H GLN 79 H GLN 79 -7.387 -0.858 6.224 644 HA GLN 79 HA GLN 79 -5.931 -3.358 6.724 645 HB2 GLN 79 2HB GLN 79 -7.696 -2.677 8.354 646 HB3 GLN 79 1HB GLN 79 -8.882 -2.780 7.059 647 HG2 GLN 79 2HG GLN 79 -8.369 -5.167 6.800 648 HG3 GLN 79 1HG GLN 79 -7.217 -5.048 8.132 649 HE21 GLN 79 1HE2 GLN 79 -7.978 -4.724 10.222 650 HE22 GLN 79 2HE2 GLN 79 -9.620 -5.048 10.660 651 H LEU 80 H LEU 80 -5.621 -4.629 5.022 652 HA LEU 80 HA LEU 80 -7.175 -4.229 2.619 653 HB2 LEU 80 2HB LEU 80 -4.914 -6.125 3.240 654 HB3 LEU 80 1HB LEU 80 -5.691 -6.002 1.675 655 HG LEU 80 HG LEU 80 -4.157 -3.795 3.049 656 HD11 LEU 80 1HD1 LEU 80 -2.508 -4.136 1.298 657 HD12 LEU 80 2HD1 LEU 80 -3.474 -5.447 0.619 658 HD13 LEU 80 3HD1 LEU 80 -2.743 -5.625 2.214 659 HD21 LEU 80 3HD2 LEU 80 -5.463 -3.899 0.332 660 HD22 LEU 80 1HD2 LEU 80 -4.445 -2.590 0.934 661 HD23 LEU 80 2HD2 LEU 80 -5.995 -2.930 1.705 662 H GLU 81 H GLU 81 -9.098 -5.106 2.441 663 HA GLU 81 HA GLU 81 -9.639 -7.715 3.636 664 HB2 GLU 81 2HB GLU 81 -11.315 -5.946 3.970 665 HB3 GLU 81 1HB GLU 81 -11.488 -5.776 2.231 666 HG2 GLU 81 2HG GLU 81 -12.265 -8.136 2.138 667 HG3 GLU 81 1HG GLU 81 -12.233 -8.165 3.899 668 H VAL 82 H VAL 82 -9.259 -9.457 2.452 669 HA VAL 82 HA VAL 82 -9.015 -9.248 -0.426 670 HB VAL 82 HB VAL 82 -8.675 -11.670 1.360 671 HG11 VAL 82 1HG1 VAL 82 -9.178 -12.262 -0.956 672 HG12 VAL 82 2HG1 VAL 82 -7.508 -12.654 -0.550 673 HG13 VAL 82 3HG1 VAL 82 -7.868 -11.222 -1.514 674 HG21 VAL 82 3HG2 VAL 82 -6.275 -11.279 1.108 675 HG22 VAL 82 1HG2 VAL 82 -7.067 -9.911 1.888 676 HG23 VAL 82 2HG2 VAL 82 -6.607 -9.810 0.188 677 H SER 83 H SER 83 -10.761 -9.356 -1.631 678 HA SER 83 HA SER 83 -13.260 -10.368 -0.850 679 HB2 SER 83 2HB SER 83 -12.913 -8.754 -2.707 680 HB3 SER 83 1HB SER 83 -12.160 -10.031 -3.657 681 HG SER 83 HG SER 83 -14.856 -9.749 -2.870 682 H SER 84 H SER 84 -13.499 -12.439 -0.221 683 HA SER 84 HA SER 84 -11.916 -14.532 -1.463 684 HB2 SER 84 2HB SER 84 -13.939 -14.845 0.761 685 HB3 SER 84 1HB SER 84 -12.583 -15.904 0.371 686 HG SER 84 HG SER 84 -11.757 -13.356 0.842 Start of MODEL 3 1 H1 MET 1 1H MET 1 12.412 15.398 13.829 2 H2 MET 1 2H MET 1 13.032 14.492 12.537 3 H3 MET 1 3H MET 1 11.554 14.057 13.239 4 HA MET 1 HA MET 1 11.155 15.153 11.157 5 HB2 MET 1 2HB MET 1 9.735 15.584 13.275 6 HB3 MET 1 1HB MET 1 10.537 17.144 13.336 7 HG2 MET 1 2HG MET 1 8.983 16.177 10.955 8 HG3 MET 1 1HG MET 1 8.276 17.117 12.265 9 HE1 MET 1 3HE MET 1 8.494 19.662 9.284 10 HE2 MET 1 1HE MET 1 7.430 18.922 10.479 11 HE3 MET 1 2HE MET 1 8.138 17.936 9.202 12 H GLY 2 H GLY 2 12.107 16.377 9.632 13 HA2 GLY 2 2HA GLY 2 14.242 18.190 10.543 14 HA3 GLY 2 1HA GLY 2 14.217 17.357 8.996 15 H HIS 3 H HIS 3 14.649 20.142 9.400 16 HA HIS 3 HA HIS 3 12.192 21.411 8.463 17 HB2 HIS 3 2HB HIS 3 13.675 23.519 8.521 18 HB3 HIS 3 1HB HIS 3 13.218 22.791 10.054 19 HD1 HIS 3 HD1 HIS 3 16.194 23.126 7.732 20 HD2 HIS 3 HD2 HIS 3 15.314 21.987 11.639 21 HE1 HIS 3 HE1 HIS 3 18.415 22.863 8.886 22 HE2 HIS 3 HE2 HIS 3 17.858 22.003 11.194 23 H HIS 4 H HIS 4 15.124 20.125 7.262 24 HA HIS 4 HA HIS 4 15.063 21.497 4.744 25 HB2 HIS 4 2HB HIS 4 17.125 20.436 5.660 26 HB3 HIS 4 1HB HIS 4 16.379 18.857 5.451 27 HD1 HIS 4 HD1 HIS 4 17.715 21.765 3.435 28 HD2 HIS 4 HD2 HIS 4 16.584 17.792 2.925 29 HE1 HIS 4 HE1 HIS 4 18.435 21.147 1.111 30 HE2 HIS 4 HE2 HIS 4 17.975 18.680 0.929 31 H HIS 5 H HIS 5 13.955 20.961 2.933 32 HA HIS 5 HA HIS 5 11.643 19.345 3.328 33 HB2 HIS 5 2HB HIS 5 12.710 20.898 0.985 34 HB3 HIS 5 1HB HIS 5 11.262 19.904 0.849 35 HD1 HIS 5 HD1 HIS 5 9.954 22.164 0.380 36 HD2 HIS 5 HD2 HIS 5 11.594 21.802 4.187 37 HE1 HIS 5 HE1 HIS 5 8.839 23.933 1.775 38 HE2 HIS 5 HE2 HIS 5 9.698 23.561 4.114 39 H HIS 6 H HIS 6 10.935 17.577 2.052 40 HA HIS 6 HA HIS 6 13.064 15.635 1.835 41 HB2 HIS 6 2HB HIS 6 11.263 13.983 1.586 42 HB3 HIS 6 1HB HIS 6 11.005 15.010 2.988 43 HD1 HIS 6 HD1 HIS 6 8.983 16.646 2.912 44 HD2 HIS 6 HD2 HIS 6 9.316 14.175 -0.424 45 HE1 HIS 6 HE1 HIS 6 6.773 16.802 1.727 46 HE2 HIS 6 HE2 HIS 6 6.952 15.223 -0.232 47 H HIS 7 H HIS 7 13.752 14.589 0.038 48 HA HIS 7 HA HIS 7 12.738 15.620 -2.524 49 HB2 HIS 7 2HB HIS 7 15.430 14.547 -1.705 50 HB3 HIS 7 1HB HIS 7 14.960 14.679 -3.397 51 HD1 HIS 7 HD1 HIS 7 15.924 16.720 -0.422 52 HD2 HIS 7 HD2 HIS 7 14.835 17.287 -4.403 53 HE1 HIS 7 HE1 HIS 7 16.472 19.120 -0.948 54 HE2 HIS 7 HE2 HIS 7 15.794 19.449 -3.354 55 H HIS 8 H HIS 8 13.735 12.686 -0.812 56 HA HIS 8 HA HIS 8 13.077 10.918 -2.918 57 HB2 HIS 8 2HB HIS 8 13.441 9.155 -1.411 58 HB3 HIS 8 1HB HIS 8 14.499 10.429 -0.826 59 HD1 HIS 8 HD1 HIS 8 12.043 8.061 0.278 60 HD2 HIS 8 HD2 HIS 8 13.246 11.856 1.492 61 HE1 HIS 8 HE1 HIS 8 11.195 8.320 2.631 62 HE2 HIS 8 HE2 HIS 8 12.097 10.537 3.410 63 H SER 9 H SER 9 11.193 10.077 -3.565 64 HA SER 9 HA SER 9 8.796 11.094 -2.201 65 HB2 SER 9 2HB SER 9 9.102 10.135 -5.057 66 HB3 SER 9 1HB SER 9 7.677 10.902 -4.356 67 HG SER 9 HG SER 9 10.156 12.221 -4.244 68 H HIS 10 H HIS 10 10.586 8.343 -2.451 69 HA HIS 10 HA HIS 10 8.337 6.485 -2.455 70 HB2 HIS 10 2HB HIS 10 11.292 5.934 -2.068 71 HB3 HIS 10 1HB HIS 10 10.035 4.724 -2.285 72 HD1 HIS 10 HD1 HIS 10 12.602 5.264 -4.139 73 HD2 HIS 10 HD2 HIS 10 8.659 6.303 -4.938 74 HE1 HIS 10 HE1 HIS 10 12.455 5.485 -6.637 75 HE2 HIS 10 HE2 HIS 10 10.131 6.349 -7.062 76 H MET 11 H MET 11 7.373 5.803 -0.638 77 HA MET 11 HA MET 11 8.868 5.988 1.880 78 HB2 MET 11 2HB MET 11 6.154 7.140 1.305 79 HB3 MET 11 1HB MET 11 6.614 6.679 2.939 80 HG2 MET 11 2HG MET 11 8.587 8.189 2.720 81 HG3 MET 11 1HG MET 11 7.925 8.734 1.180 82 HE1 MET 11 3HE MET 11 7.292 11.755 3.612 83 HE2 MET 11 1HE MET 11 8.020 11.248 2.087 84 HE3 MET 11 2HE MET 11 8.671 10.656 3.615 85 H LYS 12 H LYS 12 8.012 4.689 3.598 86 HA LYS 12 HA LYS 12 6.907 2.174 2.595 87 HB2 LYS 12 2HB LYS 12 8.353 2.952 5.122 88 HB3 LYS 12 1HB LYS 12 7.534 1.406 4.962 89 HG2 LYS 12 2HG LYS 12 8.987 0.747 3.176 90 HG3 LYS 12 1HG LYS 12 9.720 2.354 3.122 91 HD2 LYS 12 2HD LYS 12 10.743 2.062 5.236 92 HD3 LYS 12 1HD LYS 12 9.778 0.628 5.587 93 HE2 LYS 12 2HE LYS 12 11.755 0.770 3.322 94 HE3 LYS 12 1HE LYS 12 12.186 0.216 4.939 95 HZ1 LYS 12 3HZ LYS 12 10.082 -0.996 3.222 96 HZ2 LYS 12 1HZ LYS 12 10.570 -1.551 4.752 97 HZ3 LYS 12 2HZ LYS 12 11.642 -1.616 3.434 98 H PHE 13 H PHE 13 4.766 1.920 2.746 99 HA PHE 13 HA PHE 13 3.445 3.052 5.116 100 HB2 PHE 13 2HB PHE 13 1.395 3.258 3.898 101 HB3 PHE 13 1HB PHE 13 2.660 4.011 2.944 102 HD1 PHE 13 HD1 PHE 13 3.810 2.149 1.258 103 HD2 PHE 13 HD2 PHE 13 -0.184 2.158 2.720 104 HE1 PHE 13 HE1 PHE 13 3.097 0.825 -0.684 105 HE2 PHE 13 HE2 PHE 13 -0.901 0.830 0.781 106 HZ PHE 13 HZ PHE 13 0.738 0.161 -0.923 107 H LEU 14 H LEU 14 2.344 1.733 6.435 108 HA LEU 14 HA LEU 14 2.940 -1.077 6.137 109 HB2 LEU 14 2HB LEU 14 3.221 0.294 8.263 110 HB3 LEU 14 1HB LEU 14 1.474 0.254 8.406 111 HG LEU 14 HG LEU 14 1.579 -2.231 8.476 112 HD11 LEU 14 1HD1 LEU 14 4.553 -1.762 8.630 113 HD12 LEU 14 2HD1 LEU 14 3.692 -2.535 7.299 114 HD13 LEU 14 3HD1 LEU 14 3.735 -3.303 8.887 115 HD21 LEU 14 3HD2 LEU 14 3.202 -0.789 10.566 116 HD22 LEU 14 1HD2 LEU 14 2.435 -2.366 10.762 117 HD23 LEU 14 2HD2 LEU 14 1.445 -0.925 10.528 118 H VAL 15 H VAL 15 1.584 -2.462 5.232 119 HA VAL 15 HA VAL 15 -1.275 -1.757 5.118 120 HB VAL 15 HB VAL 15 0.096 -3.705 3.279 121 HG11 VAL 15 1HG1 VAL 15 -2.313 -3.841 3.350 122 HG12 VAL 15 2HG1 VAL 15 -1.804 -3.153 1.806 123 HG13 VAL 15 3HG1 VAL 15 -2.449 -2.105 3.071 124 HG21 VAL 15 3HG2 VAL 15 -0.234 -0.736 2.874 125 HG22 VAL 15 1HG2 VAL 15 0.256 -1.883 1.628 126 HG23 VAL 15 2HG2 VAL 15 1.287 -1.615 3.033 127 H GLU 16 H GLU 16 -2.473 -2.905 6.490 128 HA GLU 16 HA GLU 16 -1.513 -5.456 7.484 129 HB2 GLU 16 2HB GLU 16 -2.545 -3.813 9.017 130 HB3 GLU 16 1HB GLU 16 -4.058 -3.953 8.132 131 HG2 GLU 16 2HG GLU 16 -4.119 -5.255 10.178 132 HG3 GLU 16 1HG GLU 16 -4.219 -6.304 8.765 133 H ASN 17 H ASN 17 -1.786 -7.140 6.195 134 HA ASN 17 HA ASN 17 -4.074 -7.320 4.435 135 HB2 ASN 17 2HB ASN 17 -1.934 -8.030 3.551 136 HB3 ASN 17 1HB ASN 17 -1.725 -9.171 4.872 137 HD21 ASN 17 1HD2 ASN 17 -1.441 -10.814 3.343 138 HD22 ASN 17 2HD2 ASN 17 -2.789 -11.522 2.518 139 H LEU 18 H LEU 18 -5.933 -8.107 5.083 140 HA LEU 18 HA LEU 18 -6.205 -9.393 7.625 141 HB2 LEU 18 2HB LEU 18 -7.862 -7.804 6.601 142 HB3 LEU 18 1HB LEU 18 -8.291 -9.073 5.469 143 HG LEU 18 HG LEU 18 -8.936 -10.497 7.441 144 HD11 LEU 18 1HD1 LEU 18 -9.359 -9.365 9.567 145 HD12 LEU 18 2HD1 LEU 18 -8.632 -7.889 8.929 146 HD13 LEU 18 3HD1 LEU 18 -7.645 -9.335 9.151 147 HD21 LEU 18 3HD2 LEU 18 -10.581 -9.322 6.071 148 HD22 LEU 18 1HD2 LEU 18 -10.414 -7.891 7.088 149 HD23 LEU 18 2HD2 LEU 18 -11.077 -9.380 7.762 150 H ASN 19 H ASN 19 -5.518 -10.510 4.515 151 HA ASN 19 HA ASN 19 -6.574 -13.185 5.099 152 HB2 ASN 19 2HB ASN 19 -7.044 -12.180 2.865 153 HB3 ASN 19 1HB ASN 19 -5.315 -12.157 2.543 154 HD21 ASN 19 1HD2 ASN 19 -8.075 -14.236 3.149 155 HD22 ASN 19 2HD2 ASN 19 -7.431 -15.634 2.362 156 H GLY 20 H GLY 20 -3.908 -11.441 5.735 157 HA2 GLY 20 2HA GLY 20 -2.295 -13.809 6.134 158 HA3 GLY 20 1HA GLY 20 -1.639 -12.665 4.972 159 H SER 21 H SER 21 -0.356 -11.134 5.735 160 HA SER 21 HA SER 21 -0.713 -10.190 8.472 161 HB2 SER 21 2HB SER 21 0.927 -12.089 8.522 162 HB3 SER 21 1HB SER 21 1.964 -11.166 7.434 163 HG SER 21 HG SER 21 1.070 -10.017 9.852 164 H SER 22 H SER 22 0.618 -8.240 8.895 165 HA SER 22 HA SER 22 0.397 -6.395 6.734 166 HB2 SER 22 2HB SER 22 0.048 -5.847 9.167 167 HB3 SER 22 1HB SER 22 1.792 -5.986 9.388 168 HG SER 22 HG SER 22 0.326 -3.949 8.333 169 H PHE 23 H PHE 23 2.069 -5.227 5.706 170 HA PHE 23 HA PHE 23 4.810 -6.111 6.046 171 HB2 PHE 23 2HB PHE 23 3.927 -7.815 4.537 172 HB3 PHE 23 1HB PHE 23 3.287 -6.572 3.473 173 HD1 PHE 23 HD1 PHE 23 6.497 -7.832 4.878 174 HD2 PHE 23 HD2 PHE 23 4.519 -5.844 1.676 175 HE1 PHE 23 HE1 PHE 23 8.584 -7.866 3.570 176 HE2 PHE 23 HE2 PHE 23 6.597 -5.871 0.366 177 HZ PHE 23 HZ PHE 23 8.634 -6.887 1.308 178 H GLU 24 H GLU 24 6.306 -4.638 5.243 179 HA GLU 24 HA GLU 24 5.335 -1.976 4.801 180 HB2 GLU 24 2HB GLU 24 8.150 -3.039 4.528 181 HB3 GLU 24 1HB GLU 24 7.687 -1.348 4.615 182 HG2 GLU 24 2HG GLU 24 6.863 -1.719 6.902 183 HG3 GLU 24 1HG GLU 24 7.415 -3.393 6.803 184 H LEU 25 H LEU 25 4.395 -1.564 2.880 185 HA LEU 25 HA LEU 25 5.811 -2.411 0.456 186 HB2 LEU 25 2HB LEU 25 3.026 -1.398 0.949 187 HB3 LEU 25 1HB LEU 25 3.720 -1.416 -0.662 188 HG LEU 25 HG LEU 25 3.446 -3.870 1.073 189 HD11 LEU 25 1HD1 LEU 25 1.563 -4.462 -0.361 190 HD12 LEU 25 2HD1 LEU 25 1.702 -2.915 -1.195 191 HD13 LEU 25 3HD1 LEU 25 1.247 -2.961 0.507 192 HD21 LEU 25 3HD2 LEU 25 4.073 -3.515 -1.857 193 HD22 LEU 25 1HD2 LEU 25 3.882 -5.055 -1.018 194 HD23 LEU 25 2HD2 LEU 25 5.218 -3.983 -0.600 195 H GLU 26 H GLU 26 6.113 -0.794 -1.257 196 HA GLU 26 HA GLU 26 6.684 1.841 -0.064 197 HB2 GLU 26 2HB GLU 26 8.723 0.575 -0.612 198 HB3 GLU 26 1HB GLU 26 8.181 0.423 -2.280 199 HG2 GLU 26 2HG GLU 26 8.258 2.874 -2.499 200 HG3 GLU 26 1HG GLU 26 8.867 2.980 -0.849 201 H VAL 27 H VAL 27 5.739 3.529 -0.937 202 HA VAL 27 HA VAL 27 4.773 3.324 -3.709 203 HB VAL 27 HB VAL 27 3.032 5.058 -3.040 204 HG11 VAL 27 1HG1 VAL 27 2.439 2.772 -3.561 205 HG12 VAL 27 2HG1 VAL 27 1.462 3.371 -2.222 206 HG13 VAL 27 3HG1 VAL 27 2.810 2.277 -1.910 207 HG21 VAL 27 3HG2 VAL 27 2.346 5.105 -0.708 208 HG22 VAL 27 1HG2 VAL 27 4.010 5.667 -0.882 209 HG23 VAL 27 2HG2 VAL 27 3.685 4.041 -0.277 210 H ASP 28 H ASP 28 4.744 5.267 -4.893 211 HA ASP 28 HA ASP 28 6.570 7.340 -3.891 212 HB2 ASP 28 2HB ASP 28 7.218 6.225 -6.032 213 HB3 ASP 28 1HB ASP 28 5.699 6.761 -6.739 214 H TYR 29 H TYR 29 5.848 9.527 -4.030 215 HA TYR 29 HA TYR 29 3.116 9.873 -3.489 216 HB2 TYR 29 2HB TYR 29 5.387 11.752 -3.982 217 HB3 TYR 29 1HB TYR 29 3.744 12.382 -3.914 218 HD1 TYR 29 HD1 TYR 29 2.358 11.873 -1.852 219 HD2 TYR 29 HD2 TYR 29 6.572 11.300 -1.985 220 HE1 TYR 29 HE1 TYR 29 2.428 11.897 0.600 221 HE2 TYR 29 HE2 TYR 29 6.656 11.327 0.472 222 HH TYR 29 HH TYR 29 4.025 10.926 2.403 223 H ARG 30 H ARG 30 4.861 9.920 -6.492 224 HA ARG 30 HA ARG 30 2.602 11.144 -7.895 225 HB2 ARG 30 2HB ARG 30 4.055 11.626 -9.579 226 HB3 ARG 30 1HB ARG 30 5.244 11.422 -8.302 227 HG2 ARG 30 2HG ARG 30 5.234 8.930 -9.101 228 HG3 ARG 30 1HG ARG 30 4.582 9.629 -10.585 229 HD2 ARG 30 2HD ARG 30 6.904 9.575 -10.913 230 HD3 ARG 30 1HD ARG 30 6.545 11.249 -10.485 231 HE ARG 30 HE ARG 30 7.235 9.589 -8.233 232 HH11 ARG 30 1HH1 ARG 30 8.412 11.776 -10.697 233 HH12 ARG 30 2HH1 ARG 30 9.945 12.033 -9.916 234 HH21 ARG 30 1HH2 ARG 30 9.221 9.887 -7.212 235 HH22 ARG 30 2HH2 ARG 30 10.423 10.929 -7.930 236 H ASP 31 H ASP 31 3.384 8.154 -6.785 237 HA ASP 31 HA ASP 31 2.933 6.497 -9.042 238 HB2 ASP 31 2HB ASP 31 4.008 5.879 -6.758 239 HB3 ASP 31 1HB ASP 31 2.356 5.633 -6.215 240 H THR 32 H THR 32 1.104 5.533 -9.778 241 HA THR 32 HA THR 32 -1.374 6.867 -9.053 242 HB THR 32 HB THR 32 -1.024 4.764 -11.193 243 HG1 THR 32 HG1 THR 32 0.364 6.939 -11.070 244 HG21 THR 32 3HG2 THR 32 -3.326 5.455 -10.655 245 HG22 THR 32 1HG2 THR 32 -2.857 5.977 -12.272 246 HG23 THR 32 2HG2 THR 32 -2.883 7.138 -10.944 247 H LEU 33 H LEU 33 -3.232 5.795 -8.327 248 HA LEU 33 HA LEU 33 -2.708 3.779 -6.432 249 HB2 LEU 33 2HB LEU 33 -5.358 4.738 -7.506 250 HB3 LEU 33 1HB LEU 33 -5.138 3.769 -6.060 251 HG LEU 33 HG LEU 33 -4.155 6.589 -6.484 252 HD11 LEU 33 1HD1 LEU 33 -5.733 7.126 -4.677 253 HD12 LEU 33 2HD1 LEU 33 -6.317 5.462 -4.721 254 HD13 LEU 33 3HD1 LEU 33 -6.529 6.510 -6.124 255 HD21 LEU 33 3HD2 LEU 33 -2.566 5.374 -5.136 256 HD22 LEU 33 1HD2 LEU 33 -3.862 4.768 -4.102 257 HD23 LEU 33 2HD2 LEU 33 -3.479 6.490 -4.121 258 H LEU 34 H LEU 34 -3.637 3.585 -9.750 259 HA LEU 34 HA LEU 34 -4.524 0.857 -9.644 260 HB2 LEU 34 2HB LEU 34 -5.240 2.400 -11.422 261 HB3 LEU 34 1HB LEU 34 -3.584 2.526 -11.980 262 HG LEU 34 HG LEU 34 -3.614 0.122 -12.561 263 HD11 LEU 34 1HD1 LEU 34 -5.750 -1.072 -12.599 264 HD12 LEU 34 2HD1 LEU 34 -6.522 0.288 -11.784 265 HD13 LEU 34 3HD1 LEU 34 -5.271 -0.641 -10.957 266 HD21 LEU 34 3HD2 LEU 34 -4.120 1.758 -14.268 267 HD22 LEU 34 1HD2 LEU 34 -5.813 1.788 -13.776 268 HD23 LEU 34 2HD2 LEU 34 -5.127 0.329 -14.491 269 H VAL 35 H VAL 35 -1.490 2.497 -9.925 270 HA VAL 35 HA VAL 35 -0.053 0.272 -11.047 271 HB VAL 35 HB VAL 35 0.956 2.850 -9.825 272 HG11 VAL 35 1HG1 VAL 35 2.637 1.060 -9.725 273 HG12 VAL 35 2HG1 VAL 35 3.095 2.339 -10.848 274 HG13 VAL 35 3HG1 VAL 35 2.461 0.812 -11.461 275 HG21 VAL 35 3HG2 VAL 35 -0.391 3.157 -11.854 276 HG22 VAL 35 1HG2 VAL 35 0.656 2.027 -12.713 277 HG23 VAL 35 2HG2 VAL 35 1.305 3.559 -12.127 278 H VAL 36 H VAL 36 -0.242 1.840 -7.852 279 HA VAL 36 HA VAL 36 1.558 0.181 -6.527 280 HB VAL 36 HB VAL 36 0.753 2.208 -5.479 281 HG11 VAL 36 1HG1 VAL 36 -1.494 2.351 -4.499 282 HG12 VAL 36 2HG1 VAL 36 -1.915 0.821 -5.269 283 HG13 VAL 36 3HG1 VAL 36 -1.536 2.232 -6.258 284 HG21 VAL 36 3HG2 VAL 36 0.004 -0.238 -3.882 285 HG22 VAL 36 1HG2 VAL 36 0.320 1.365 -3.219 286 HG23 VAL 36 2HG2 VAL 36 1.614 0.471 -4.016 287 H LYS 37 H LYS 37 -1.833 -0.374 -7.309 288 HA LYS 37 HA LYS 37 -2.287 -2.597 -5.658 289 HB2 LYS 37 2HB LYS 37 -3.489 -1.793 -8.302 290 HB3 LYS 37 1HB LYS 37 -4.004 -3.234 -7.439 291 HG2 LYS 37 2HG LYS 37 -4.545 -1.778 -5.487 292 HG3 LYS 37 1HG LYS 37 -4.207 -0.383 -6.517 293 HD2 LYS 37 2HD LYS 37 -5.934 -1.110 -8.079 294 HD3 LYS 37 1HD LYS 37 -6.269 -2.515 -7.067 295 HE2 LYS 37 2HE LYS 37 -6.909 -1.009 -5.230 296 HE3 LYS 37 1HE LYS 37 -6.615 0.375 -6.284 297 HZ1 LYS 37 3HZ LYS 37 -8.303 -0.657 -7.823 298 HZ2 LYS 37 1HZ LYS 37 -8.913 -0.036 -6.367 299 HZ3 LYS 37 2HZ LYS 37 -8.713 -1.704 -6.554 300 H GLN 38 H GLN 38 -0.726 -2.315 -8.781 301 HA GLN 38 HA GLN 38 -0.668 -5.097 -9.356 302 HB2 GLN 38 2HB GLN 38 1.181 -2.933 -10.380 303 HB3 GLN 38 1HB GLN 38 0.914 -4.513 -11.108 304 HG2 GLN 38 2HG GLN 38 -1.442 -3.905 -11.500 305 HG3 GLN 38 1HG GLN 38 -1.115 -2.303 -10.840 306 HE21 GLN 38 1HE2 GLN 38 -2.073 -3.015 -13.468 307 HE22 GLN 38 2HE2 GLN 38 -0.917 -2.395 -14.596 308 H LYS 39 H LYS 39 1.389 -2.923 -7.549 309 HA LYS 39 HA LYS 39 3.518 -4.809 -7.171 310 HB2 LYS 39 2HB LYS 39 2.785 -2.231 -5.784 311 HB3 LYS 39 1HB LYS 39 4.156 -3.211 -5.286 312 HG2 LYS 39 2HG LYS 39 5.145 -2.952 -7.509 313 HG3 LYS 39 1HG LYS 39 3.770 -1.961 -7.999 314 HD2 LYS 39 2HD LYS 39 5.581 -1.294 -5.682 315 HD3 LYS 39 1HD LYS 39 5.810 -0.667 -7.318 316 HE2 LYS 39 2HE LYS 39 3.520 0.289 -7.210 317 HE3 LYS 39 1HE LYS 39 3.415 -0.246 -5.532 318 HZ1 LYS 39 3HZ LYS 39 5.498 1.603 -6.556 319 HZ2 LYS 39 1HZ LYS 39 5.190 1.207 -4.936 320 HZ3 LYS 39 2HZ LYS 39 4.061 2.115 -5.824 321 H ILE 40 H ILE 40 0.684 -3.776 -5.341 322 HA ILE 40 HA ILE 40 1.115 -5.306 -3.021 323 HB ILE 40 HB ILE 40 -1.523 -4.521 -4.279 324 HG12 ILE 40 2HG1 ILE 40 0.111 -3.138 -2.142 325 HG13 ILE 40 1HG1 ILE 40 -0.037 -2.606 -3.812 326 HG21 ILE 40 1HG2 ILE 40 -1.781 -6.306 -2.630 327 HG22 ILE 40 2HG2 ILE 40 -2.473 -4.793 -2.045 328 HG23 ILE 40 3HG2 ILE 40 -0.909 -5.340 -1.439 329 HD11 ILE 40 3HD1 ILE 40 -2.261 -2.759 -1.790 330 HD12 ILE 40 1HD1 ILE 40 -2.438 -2.268 -3.476 331 HD13 ILE 40 2HD1 ILE 40 -1.464 -1.297 -2.373 332 H GLU 41 H GLU 41 -0.380 -6.043 -6.106 333 HA GLU 41 HA GLU 41 -1.478 -8.543 -5.514 334 HB2 GLU 41 2HB GLU 41 -1.972 -7.210 -7.532 335 HB3 GLU 41 1HB GLU 41 -0.361 -7.544 -8.141 336 HG2 GLU 41 2HG GLU 41 -0.853 -9.823 -8.467 337 HG3 GLU 41 1HG GLU 41 -2.342 -9.711 -7.531 338 H ARG 42 H ARG 42 1.795 -7.582 -6.139 339 HA ARG 42 HA ARG 42 2.712 -10.313 -6.493 340 HB2 ARG 42 2HB ARG 42 3.742 -8.416 -7.744 341 HB3 ARG 42 1HB ARG 42 4.336 -7.778 -6.216 342 HG2 ARG 42 2HG ARG 42 5.570 -9.940 -5.904 343 HG3 ARG 42 1HG ARG 42 5.107 -10.360 -7.554 344 HD2 ARG 42 2HD ARG 42 7.278 -9.446 -7.698 345 HD3 ARG 42 1HD ARG 42 6.179 -8.195 -8.275 346 HE ARG 42 HE ARG 42 7.087 -8.137 -5.479 347 HH11 ARG 42 1HH1 ARG 42 6.986 -6.698 -8.665 348 HH12 ARG 42 2HH1 ARG 42 7.778 -5.235 -8.172 349 HH21 ARG 42 1HH2 ARG 42 8.113 -6.186 -4.816 350 HH22 ARG 42 2HH2 ARG 42 8.412 -4.938 -5.995 351 H SER 43 H SER 43 3.468 -7.664 -4.229 352 HA SER 43 HA SER 43 5.046 -9.306 -2.560 353 HB2 SER 43 2HB SER 43 3.811 -6.614 -1.966 354 HB3 SER 43 1HB SER 43 5.130 -7.368 -1.071 355 HG SER 43 HG SER 43 5.272 -5.875 -3.279 356 H GLN 44 H GLN 44 1.669 -8.236 -2.292 357 HA GLN 44 HA GLN 44 1.394 -9.513 0.296 358 HB2 GLN 44 2HB GLN 44 -0.583 -8.135 -1.515 359 HB3 GLN 44 1HB GLN 44 -1.040 -8.894 0.002 360 HG2 GLN 44 2HG GLN 44 0.945 -6.649 -0.283 361 HG3 GLN 44 1HG GLN 44 -0.741 -6.467 0.200 362 HE21 GLN 44 1HE2 GLN 44 1.580 -5.708 1.690 363 HE22 GLN 44 2HE2 GLN 44 1.540 -6.608 3.164 364 H HIS 45 H HIS 45 1.236 -10.420 -2.931 365 HA HIS 45 HA HIS 45 0.839 -12.385 -3.968 366 HB2 HIS 45 2HB HIS 45 0.653 -13.372 -1.126 367 HB3 HIS 45 1HB HIS 45 0.469 -14.441 -2.513 368 HD1 HIS 45 HD1 HIS 45 2.555 -15.163 -3.724 369 HD2 HIS 45 HD2 HIS 45 3.282 -12.277 -0.825 370 HE1 HIS 45 HE1 HIS 45 5.055 -15.013 -3.533 371 HE2 HIS 45 HE2 HIS 45 5.459 -13.063 -1.994 372 H ILE 46 H ILE 46 -1.405 -10.536 -2.904 373 HA ILE 46 HA ILE 46 -3.595 -12.406 -3.509 374 HB ILE 46 HB ILE 46 -5.123 -10.756 -2.446 375 HG12 ILE 46 2HG1 ILE 46 -2.576 -9.451 -1.453 376 HG13 ILE 46 1HG1 ILE 46 -3.643 -8.770 -2.679 377 HG21 ILE 46 1HG2 ILE 46 -2.935 -11.860 -0.694 378 HG22 ILE 46 2HG2 ILE 46 -4.401 -12.698 -1.207 379 HG23 ILE 46 3HG2 ILE 46 -4.510 -11.309 -0.125 380 HD11 ILE 46 3HD1 ILE 46 -4.393 -9.342 0.180 381 HD12 ILE 46 1HD1 ILE 46 -5.440 -8.631 -1.048 382 HD13 ILE 46 2HD1 ILE 46 -4.010 -7.758 -0.496 383 HA PRO 47 HA PRO 47 -3.985 -10.371 -7.412 384 HB2 PRO 47 2HB PRO 47 -6.641 -11.029 -7.823 385 HB3 PRO 47 1HB PRO 47 -5.268 -12.074 -8.204 386 HG2 PRO 47 2HG PRO 47 -7.061 -12.095 -5.812 387 HG3 PRO 47 1HG PRO 47 -6.380 -13.459 -6.716 388 HD2 PRO 47 2HD PRO 47 -5.360 -12.688 -4.356 389 HD3 PRO 47 1HD PRO 47 -4.317 -13.285 -5.666 390 H VAL 48 H VAL 48 -4.999 -8.577 -8.345 391 HA VAL 48 HA VAL 48 -5.607 -6.472 -6.630 392 HB VAL 48 HB VAL 48 -4.813 -6.206 -8.954 393 HG11 VAL 48 1HG1 VAL 48 -6.210 -7.874 -10.042 394 HG12 VAL 48 2HG1 VAL 48 -6.394 -6.298 -10.815 395 HG13 VAL 48 3HG1 VAL 48 -7.644 -6.896 -9.723 396 HG21 VAL 48 3HG2 VAL 48 -7.371 -4.740 -8.331 397 HG22 VAL 48 1HG2 VAL 48 -6.163 -4.235 -9.511 398 HG23 VAL 48 2HG2 VAL 48 -5.750 -4.292 -7.798 399 H SER 49 H SER 49 -7.687 -8.926 -7.889 400 HA SER 49 HA SER 49 -10.162 -7.566 -7.662 401 HB2 SER 49 2HB SER 49 -11.034 -9.997 -7.637 402 HB3 SER 49 1HB SER 49 -10.144 -9.461 -9.064 403 HG SER 49 HG SER 49 -9.033 -11.223 -8.634 404 H LYS 50 H LYS 50 -8.076 -9.097 -5.370 405 HA LYS 50 HA LYS 50 -10.223 -9.278 -3.375 406 HB2 LYS 50 2HB LYS 50 -7.356 -10.248 -3.196 407 HB3 LYS 50 1HB LYS 50 -8.634 -10.561 -2.031 408 HG2 LYS 50 2HG LYS 50 -9.877 -11.725 -3.896 409 HG3 LYS 50 1HG LYS 50 -8.383 -11.619 -4.830 410 HD2 LYS 50 2HD LYS 50 -7.199 -12.879 -3.124 411 HD3 LYS 50 1HD LYS 50 -8.653 -12.929 -2.123 412 HE2 LYS 50 2HE LYS 50 -9.805 -14.150 -3.948 413 HE3 LYS 50 1HE LYS 50 -8.283 -14.189 -4.837 414 HZ1 LYS 50 3HZ LYS 50 -8.825 -15.451 -2.199 415 HZ2 LYS 50 1HZ LYS 50 -7.305 -15.408 -2.954 416 HZ3 LYS 50 2HZ LYS 50 -8.587 -16.249 -3.678 417 H GLN 51 H GLN 51 -8.131 -7.018 -4.446 418 HA GLN 51 HA GLN 51 -7.112 -6.133 -1.884 419 HB2 GLN 51 2HB GLN 51 -6.818 -4.996 -4.664 420 HB3 GLN 51 1HB GLN 51 -6.074 -4.303 -3.228 421 HG2 GLN 51 2HG GLN 51 -4.812 -6.351 -2.880 422 HG3 GLN 51 1HG GLN 51 -5.577 -7.072 -4.297 423 HE21 GLN 51 1HE2 GLN 51 -3.580 -7.358 -5.303 424 HE22 GLN 51 2HE2 GLN 51 -2.711 -6.027 -5.991 425 H THR 52 H THR 52 -9.249 -5.781 -0.961 426 HA THR 52 HA THR 52 -10.548 -3.327 -1.834 427 HB THR 52 HB THR 52 -11.190 -5.069 0.562 428 HG1 THR 52 HG1 THR 52 -11.475 -5.634 -1.962 429 HG21 THR 52 3HG2 THR 52 -12.050 -2.782 0.774 430 HG22 THR 52 1HG2 THR 52 -13.365 -3.925 0.506 431 HG23 THR 52 2HG2 THR 52 -12.797 -2.909 -0.819 432 H LEU 53 H LEU 53 -8.977 -1.806 -1.503 433 HA LEU 53 HA LEU 53 -7.444 -1.559 0.880 434 HB2 LEU 53 2HB LEU 53 -8.010 0.401 -1.346 435 HB3 LEU 53 1HB LEU 53 -6.852 0.679 -0.062 436 HG LEU 53 HG LEU 53 -6.662 -1.616 -2.010 437 HD11 LEU 53 1HD1 LEU 53 -6.482 0.494 -3.211 438 HD12 LEU 53 2HD1 LEU 53 -4.908 -0.297 -3.109 439 HD13 LEU 53 3HD1 LEU 53 -5.281 1.066 -2.053 440 HD21 LEU 53 3HD2 LEU 53 -4.357 -1.738 -1.202 441 HD22 LEU 53 1HD2 LEU 53 -5.512 -1.968 0.112 442 HD23 LEU 53 2HD2 LEU 53 -4.683 -0.423 -0.074 443 H ILE 54 H ILE 54 -8.413 -1.129 2.771 444 HA ILE 54 HA ILE 54 -10.410 1.041 2.808 445 HB ILE 54 HB ILE 54 -10.068 -1.206 4.805 446 HG12 ILE 54 2HG1 ILE 54 -12.247 -0.686 2.769 447 HG13 ILE 54 1HG1 ILE 54 -11.021 -1.945 2.657 448 HG21 ILE 54 1HG2 ILE 54 -10.834 0.840 5.873 449 HG22 ILE 54 2HG2 ILE 54 -12.144 -0.338 5.801 450 HG23 ILE 54 3HG2 ILE 54 -12.112 1.013 4.669 451 HD11 ILE 54 3HD1 ILE 54 -11.926 -3.012 4.646 452 HD12 ILE 54 1HD1 ILE 54 -13.158 -2.832 3.398 453 HD13 ILE 54 2HD1 ILE 54 -13.140 -1.740 4.783 454 H VAL 55 H VAL 55 -9.373 2.863 3.322 455 HA VAL 55 HA VAL 55 -7.325 2.764 5.416 456 HB VAL 55 HB VAL 55 -6.797 5.120 4.726 457 HG11 VAL 55 1HG1 VAL 55 -5.472 3.254 3.920 458 HG12 VAL 55 2HG1 VAL 55 -5.640 4.470 2.653 459 HG13 VAL 55 3HG1 VAL 55 -6.604 2.994 2.594 460 HG21 VAL 55 3HG2 VAL 55 -7.603 5.890 2.533 461 HG22 VAL 55 1HG2 VAL 55 -8.914 5.734 3.703 462 HG23 VAL 55 2HG2 VAL 55 -8.693 4.505 2.458 463 H ASP 56 H ASP 56 -8.108 2.968 7.369 464 HA ASP 56 HA ASP 56 -9.189 3.755 9.197 465 HB2 ASP 56 2HB ASP 56 -8.412 5.956 8.714 466 HB3 ASP 56 1HB ASP 56 -9.590 6.162 7.423 467 H GLY 57 H GLY 57 -11.287 5.134 6.683 468 HA2 GLY 57 2HA GLY 57 -13.315 3.111 7.202 469 HA3 GLY 57 1HA GLY 57 -13.738 4.753 7.671 470 H ILE 58 H ILE 58 -11.624 4.541 5.026 471 HA ILE 58 HA ILE 58 -13.867 5.000 3.169 472 HB ILE 58 HB ILE 58 -11.114 6.254 3.065 473 HG12 ILE 58 2HG1 ILE 58 -13.794 7.525 3.668 474 HG13 ILE 58 1HG1 ILE 58 -12.564 7.154 4.872 475 HG21 ILE 58 1HG2 ILE 58 -13.533 6.641 1.304 476 HG22 ILE 58 2HG2 ILE 58 -12.007 5.886 0.846 477 HG23 ILE 58 3HG2 ILE 58 -12.059 7.605 1.231 478 HD11 ILE 58 3HD1 ILE 58 -12.255 9.071 2.574 479 HD12 ILE 58 1HD1 ILE 58 -11.038 8.716 3.801 480 HD13 ILE 58 2HD1 ILE 58 -12.547 9.505 4.258 481 H VAL 59 H VAL 59 -14.023 3.471 1.673 482 HA VAL 59 HA VAL 59 -11.829 1.688 1.121 483 HB VAL 59 HB VAL 59 -14.105 0.805 1.145 484 HG11 VAL 59 1HG1 VAL 59 -15.338 2.740 0.369 485 HG12 VAL 59 2HG1 VAL 59 -15.704 1.344 -0.644 486 HG13 VAL 59 3HG1 VAL 59 -14.608 2.596 -1.229 487 HG21 VAL 59 3HG2 VAL 59 -12.873 0.701 -1.604 488 HG22 VAL 59 1HG2 VAL 59 -14.051 -0.441 -0.959 489 HG23 VAL 59 2HG2 VAL 59 -12.448 -0.322 -0.232 490 H ILE 60 H ILE 60 -10.381 1.860 -0.457 491 HA ILE 60 HA ILE 60 -10.452 4.205 -2.154 492 HB ILE 60 HB ILE 60 -8.357 2.033 -1.981 493 HG12 ILE 60 2HG1 ILE 60 -8.605 3.249 0.134 494 HG13 ILE 60 1HG1 ILE 60 -7.078 3.653 -0.645 495 HG21 ILE 60 1HG2 ILE 60 -8.275 4.752 -3.278 496 HG22 ILE 60 2HG2 ILE 60 -8.269 3.196 -4.108 497 HG23 ILE 60 3HG2 ILE 60 -6.899 3.665 -3.102 498 HD11 ILE 60 3HD1 ILE 60 -8.056 5.752 -1.444 499 HD12 ILE 60 1HD1 ILE 60 -8.122 5.619 0.314 500 HD13 ILE 60 2HD1 ILE 60 -9.574 5.338 -0.646 501 H LEU 61 H LEU 61 -12.021 3.895 -3.647 502 HA LEU 61 HA LEU 61 -11.887 1.563 -5.405 503 HB2 LEU 61 2HB LEU 61 -13.792 3.911 -5.367 504 HB3 LEU 61 1HB LEU 61 -13.918 2.530 -6.440 505 HG LEU 61 HG LEU 61 -14.148 2.421 -3.431 506 HD11 LEU 61 1HD1 LEU 61 -16.266 2.196 -5.564 507 HD12 LEU 61 2HD1 LEU 61 -16.042 3.558 -4.466 508 HD13 LEU 61 3HD1 LEU 61 -16.511 1.981 -3.830 509 HD21 LEU 61 3HD2 LEU 61 -13.232 0.370 -4.402 510 HD22 LEU 61 1HD2 LEU 61 -14.594 0.291 -5.520 511 HD23 LEU 61 2HD2 LEU 61 -14.864 0.117 -3.785 512 H ARG 62 H ARG 62 -10.880 4.797 -5.167 513 HA ARG 62 HA ARG 62 -10.623 5.430 -7.917 514 HB2 ARG 62 2HB ARG 62 -9.399 6.535 -5.406 515 HB3 ARG 62 1HB ARG 62 -8.898 7.111 -6.990 516 HG2 ARG 62 2HG ARG 62 -11.725 7.160 -5.964 517 HG3 ARG 62 1HG ARG 62 -10.609 8.529 -5.933 518 HD2 ARG 62 2HD ARG 62 -10.400 8.329 -8.406 519 HD3 ARG 62 1HD ARG 62 -11.653 7.088 -8.370 520 HE ARG 62 HE ARG 62 -12.887 9.102 -7.128 521 HH11 ARG 62 1HH1 ARG 62 -10.981 9.059 -10.085 522 HH12 ARG 62 2HH1 ARG 62 -11.856 10.385 -10.800 523 HH21 ARG 62 1HH2 ARG 62 -14.044 10.812 -8.097 524 HH22 ARG 62 2HH2 ARG 62 -13.599 11.365 -9.684 525 H GLU 63 H GLU 63 -9.255 4.697 -9.339 526 HA GLU 63 HA GLU 63 -6.638 3.687 -8.418 527 HB2 GLU 63 2HB GLU 63 -8.188 2.781 -10.854 528 HB3 GLU 63 1HB GLU 63 -6.679 2.102 -10.252 529 HG2 GLU 63 2HG GLU 63 -7.806 1.351 -8.235 530 HG3 GLU 63 1HG GLU 63 -9.316 2.058 -8.808 531 H ASP 64 H ASP 64 -8.357 5.916 -10.278 532 HA ASP 64 HA ASP 64 -6.312 6.398 -12.257 533 HB2 ASP 64 2HB ASP 64 -7.786 8.140 -13.085 534 HB3 ASP 64 1HB ASP 64 -8.714 6.676 -12.784 535 H LEU 65 H LEU 65 -6.957 7.428 -9.083 536 HA LEU 65 HA LEU 65 -5.622 9.985 -9.374 537 HB2 LEU 65 2HB LEU 65 -6.733 8.576 -6.947 538 HB3 LEU 65 1HB LEU 65 -5.990 10.162 -6.910 539 HG LEU 65 HG LEU 65 -8.536 9.404 -8.341 540 HD11 LEU 65 1HD1 LEU 65 -8.772 9.606 -5.927 541 HD12 LEU 65 2HD1 LEU 65 -9.583 10.932 -6.758 542 HD13 LEU 65 3HD1 LEU 65 -8.025 11.202 -5.978 543 HD21 LEU 65 3HD2 LEU 65 -7.110 12.059 -8.219 544 HD22 LEU 65 1HD2 LEU 65 -8.715 11.783 -8.895 545 HD23 LEU 65 2HD2 LEU 65 -7.303 11.042 -9.646 546 H THR 66 H THR 66 -3.874 10.543 -7.873 547 HA THR 66 HA THR 66 -1.933 8.350 -7.713 548 HB THR 66 HB THR 66 -0.265 10.252 -7.448 549 HG1 THR 66 HG1 THR 66 -2.514 11.778 -8.345 550 HG21 THR 66 3HG2 THR 66 -0.493 9.070 -9.553 551 HG22 THR 66 1HG2 THR 66 -0.266 10.790 -9.859 552 HG23 THR 66 2HG2 THR 66 -1.872 10.075 -9.998 553 H VAL 67 H VAL 67 -0.468 8.341 -5.849 554 HA VAL 67 HA VAL 67 -1.856 8.091 -3.461 555 HB VAL 67 HB VAL 67 1.120 8.505 -3.796 556 HG11 VAL 67 1HG1 VAL 67 1.291 7.240 -1.681 557 HG12 VAL 67 2HG1 VAL 67 -0.465 7.301 -1.529 558 HG13 VAL 67 3HG1 VAL 67 0.478 8.792 -1.486 559 HG21 VAL 67 3HG2 VAL 67 1.244 6.059 -3.807 560 HG22 VAL 67 1HG2 VAL 67 0.286 6.664 -5.159 561 HG23 VAL 67 2HG2 VAL 67 -0.517 5.970 -3.750 562 H GLU 68 H GLU 68 0.303 10.763 -4.446 563 HA GLU 68 HA GLU 68 0.152 12.123 -1.975 564 HB2 GLU 68 2HB GLU 68 1.937 12.443 -3.678 565 HB3 GLU 68 1HB GLU 68 0.776 13.296 -4.685 566 HG2 GLU 68 2HG GLU 68 0.528 15.013 -2.994 567 HG3 GLU 68 1HG GLU 68 1.619 14.137 -1.922 568 H GLN 69 H GLN 69 -1.940 12.125 -4.759 569 HA GLN 69 HA GLN 69 -3.325 14.508 -3.799 570 HB2 GLN 69 2HB GLN 69 -3.589 12.908 -6.343 571 HB3 GLN 69 1HB GLN 69 -4.651 14.249 -5.927 572 HG2 GLN 69 2HG GLN 69 -2.688 15.732 -5.813 573 HG3 GLN 69 1HG GLN 69 -1.668 14.384 -6.314 574 HE21 GLN 69 1HE2 GLN 69 -1.721 13.693 -8.424 575 HE22 GLN 69 2HE2 GLN 69 -2.478 14.606 -9.689 576 H CYS 70 H CYS 70 -3.398 11.317 -3.153 577 HA CYS 70 HA CYS 70 -6.291 11.341 -2.618 578 HB2 CYS 70 2HB CYS 70 -5.437 9.466 -4.036 579 HB3 CYS 70 1HB CYS 70 -4.434 8.947 -2.688 580 HG CYS 70 HG CYS 70 -6.979 8.827 -1.093 581 H GLN 71 H GLN 71 -3.260 11.664 -1.218 582 HA GLN 71 HA GLN 71 -2.584 12.091 0.899 583 HB2 GLN 71 2HB GLN 71 -5.549 12.013 1.451 584 HB3 GLN 71 1HB GLN 71 -4.347 12.435 2.664 585 HG2 GLN 71 2HG GLN 71 -4.783 13.895 0.070 586 HG3 GLN 71 1HG GLN 71 -5.398 14.399 1.644 587 HE21 GLN 71 1HE2 GLN 71 -3.570 15.766 -0.180 588 HE22 GLN 71 2HE2 GLN 71 -2.134 16.071 0.737 589 H ILE 72 H ILE 72 -2.957 9.302 -0.112 590 HA ILE 72 HA ILE 72 -3.611 7.717 2.187 591 HB ILE 72 HB ILE 72 -2.173 6.929 -0.356 592 HG12 ILE 72 2HG1 ILE 72 -5.050 6.572 0.524 593 HG13 ILE 72 1HG1 ILE 72 -4.479 7.670 -0.729 594 HG21 ILE 72 1HG2 ILE 72 -3.318 5.196 1.837 595 HG22 ILE 72 2HG2 ILE 72 -1.607 5.415 1.467 596 HG23 ILE 72 3HG2 ILE 72 -2.665 4.614 0.305 597 HD11 ILE 72 3HD1 ILE 72 -5.474 5.673 -1.683 598 HD12 ILE 72 1HD1 ILE 72 -4.316 4.667 -0.813 599 HD13 ILE 72 2HD1 ILE 72 -3.755 5.769 -2.070 600 H VAL 73 H VAL 73 -2.383 7.933 3.933 601 HA VAL 73 HA VAL 73 0.531 7.640 3.624 602 HB VAL 73 HB VAL 73 0.795 9.026 5.680 603 HG11 VAL 73 1HG1 VAL 73 1.144 10.014 3.481 604 HG12 VAL 73 2HG1 VAL 73 0.425 11.189 4.583 605 HG13 VAL 73 3HG1 VAL 73 -0.574 10.396 3.366 606 HG21 VAL 73 3HG2 VAL 73 -1.436 8.748 6.618 607 HG22 VAL 73 1HG2 VAL 73 -2.133 9.628 5.259 608 HG23 VAL 73 2HG2 VAL 73 -1.069 10.459 6.393 609 HA PRO 74 HA PRO 74 0.290 4.190 6.373 610 HB2 PRO 74 2HB PRO 74 2.603 4.494 7.804 611 HB3 PRO 74 1HB PRO 74 2.543 3.864 6.154 612 HG2 PRO 74 2HG PRO 74 3.194 6.625 7.109 613 HG3 PRO 74 1HG PRO 74 3.971 5.668 5.835 614 HD2 PRO 74 2HD PRO 74 2.213 7.630 5.271 615 HD3 PRO 74 1HD PRO 74 2.324 6.154 4.288 616 H THR 75 H THR 75 0.327 7.386 7.508 617 HA THR 75 HA THR 75 0.186 6.988 10.295 618 HB THR 75 HB THR 75 -1.235 9.236 8.898 619 HG1 THR 75 HG1 THR 75 1.031 10.204 8.976 620 HG21 THR 75 3HG2 THR 75 -1.283 9.186 11.340 621 HG22 THR 75 1HG2 THR 75 -0.297 10.535 10.773 622 HG23 THR 75 2HG2 THR 75 0.476 9.073 11.385 623 H SER 76 H SER 76 -2.035 6.456 7.737 624 HA SER 76 HA SER 76 -4.280 6.189 9.608 625 HB2 SER 76 2HB SER 76 -4.632 7.561 7.542 626 HB3 SER 76 1HB SER 76 -4.315 6.121 6.577 627 HG SER 76 HG SER 76 -6.606 6.739 7.173 628 H ASP 77 H ASP 77 -5.488 4.210 9.616 629 HA ASP 77 HA ASP 77 -3.777 1.907 9.325 630 HB2 ASP 77 2HB ASP 77 -5.344 2.248 11.266 631 HB3 ASP 77 1HB ASP 77 -6.682 1.954 10.158 632 H ILE 78 H ILE 78 -3.599 0.784 7.531 633 HA ILE 78 HA ILE 78 -5.726 0.988 5.513 634 HB ILE 78 HB ILE 78 -2.841 0.179 5.100 635 HG12 ILE 78 2HG1 ILE 78 -4.182 2.824 4.483 636 HG13 ILE 78 1HG1 ILE 78 -3.116 2.544 5.856 637 HG21 ILE 78 1HG2 ILE 78 -5.011 0.892 3.126 638 HG22 ILE 78 2HG2 ILE 78 -4.370 -0.723 3.425 639 HG23 ILE 78 3HG2 ILE 78 -3.334 0.520 2.724 640 HD11 ILE 78 3HD1 ILE 78 -2.344 2.303 2.959 641 HD12 ILE 78 1HD1 ILE 78 -1.277 2.071 4.344 642 HD13 ILE 78 2HD1 ILE 78 -1.970 3.661 4.021 643 H GLN 79 H GLN 79 -7.045 -0.684 5.599 644 HA GLN 79 HA GLN 79 -6.013 -3.336 6.306 645 HB2 GLN 79 2HB GLN 79 -8.849 -2.346 5.980 646 HB3 GLN 79 1HB GLN 79 -8.398 -3.975 6.453 647 HG2 GLN 79 2HG GLN 79 -7.361 -3.086 8.485 648 HG3 GLN 79 1HG GLN 79 -7.848 -1.458 8.008 649 HE21 GLN 79 1HE2 GLN 79 -8.580 -3.069 10.359 650 HE22 GLN 79 2HE2 GLN 79 -10.313 -3.142 10.344 651 H LEU 80 H LEU 80 -5.967 -5.009 4.897 652 HA LEU 80 HA LEU 80 -7.083 -4.599 2.211 653 HB2 LEU 80 2HB LEU 80 -5.220 -6.725 3.269 654 HB3 LEU 80 1HB LEU 80 -5.865 -6.704 1.642 655 HG LEU 80 HG LEU 80 -4.078 -4.577 2.818 656 HD11 LEU 80 1HD1 LEU 80 -2.369 -5.489 1.337 657 HD12 LEU 80 2HD1 LEU 80 -3.475 -6.767 0.834 658 HD13 LEU 80 3HD1 LEU 80 -2.908 -6.697 2.502 659 HD21 LEU 80 3HD2 LEU 80 -3.943 -3.765 0.519 660 HD22 LEU 80 1HD2 LEU 80 -5.601 -3.722 1.116 661 HD23 LEU 80 2HD2 LEU 80 -5.094 -5.001 0.011 662 H GLU 81 H GLU 81 -9.260 -4.913 2.647 663 HA GLU 81 HA GLU 81 -10.153 -7.234 4.090 664 HB2 GLU 81 2HB GLU 81 -11.392 -5.063 4.076 665 HB3 GLU 81 1HB GLU 81 -11.774 -5.338 2.382 666 HG2 GLU 81 2HG GLU 81 -13.026 -7.323 2.952 667 HG3 GLU 81 1HG GLU 81 -12.577 -7.149 4.648 668 H VAL 82 H VAL 82 -9.568 -9.078 3.106 669 HA VAL 82 HA VAL 82 -9.334 -9.524 0.383 670 HB VAL 82 HB VAL 82 -8.282 -11.019 1.934 671 HG11 VAL 82 1HG1 VAL 82 -11.045 -11.872 2.780 672 HG12 VAL 82 2HG1 VAL 82 -9.895 -10.944 3.743 673 HG13 VAL 82 3HG1 VAL 82 -9.534 -12.614 3.306 674 HG21 VAL 82 3HG2 VAL 82 -8.952 -13.207 1.008 675 HG22 VAL 82 1HG2 VAL 82 -8.779 -11.962 -0.229 676 HG23 VAL 82 2HG2 VAL 82 -10.385 -12.446 0.314 677 H SER 83 H SER 83 -10.772 -9.432 -1.118 678 HA SER 83 HA SER 83 -13.454 -10.536 -0.682 679 HB2 SER 83 2HB SER 83 -12.825 -7.911 -2.062 680 HB3 SER 83 1HB SER 83 -14.424 -8.624 -1.869 681 HG SER 83 HG SER 83 -12.695 -7.631 0.156 682 H SER 84 H SER 84 -14.534 -10.216 -3.133 683 HA SER 84 HA SER 84 -12.726 -10.440 -5.306 684 HB2 SER 84 2HB SER 84 -13.286 -12.767 -5.984 685 HB3 SER 84 1HB SER 84 -12.386 -12.710 -4.468 686 HG SER 84 HG SER 84 -15.214 -12.804 -4.565 Start of MODEL 4 1 H1 MET 1 1H MET 1 15.709 14.002 19.850 2 H2 MET 1 2H MET 1 15.443 14.692 18.322 3 H3 MET 1 3H MET 1 15.965 15.662 19.612 4 HA MET 1 HA MET 1 18.059 14.515 19.705 5 HB2 MET 1 2HB MET 1 17.216 12.329 18.909 6 HB3 MET 1 1HB MET 1 17.004 13.003 17.299 7 HG2 MET 1 2HG MET 1 19.022 11.663 17.442 8 HG3 MET 1 1HG MET 1 19.404 13.354 17.115 9 HE1 MET 1 3HE MET 1 21.949 12.698 17.762 10 HE2 MET 1 1HE MET 1 21.446 11.061 18.170 11 HE3 MET 1 2HE MET 1 22.399 12.001 19.321 12 H GLY 2 H GLY 2 16.947 14.617 16.332 13 HA2 GLY 2 2HA GLY 2 18.343 17.206 16.046 14 HA3 GLY 2 1HA GLY 2 18.433 15.946 14.819 15 H HIS 3 H HIS 3 16.893 18.733 15.692 16 HA HIS 3 HA HIS 3 14.230 18.177 14.943 17 HB2 HIS 3 2HB HIS 3 14.054 20.712 14.709 18 HB3 HIS 3 1HB HIS 3 14.514 20.087 16.286 19 HD1 HIS 3 HD1 HIS 3 16.963 20.527 17.072 20 HD2 HIS 3 HD2 HIS 3 15.977 22.306 13.441 21 HE1 HIS 3 HE1 HIS 3 18.764 22.224 16.638 22 HE2 HIS 3 HE2 HIS 3 18.254 23.145 14.350 23 H HIS 4 H HIS 4 13.958 17.208 13.037 24 HA HIS 4 HA HIS 4 14.476 18.798 10.636 25 HB2 HIS 4 2HB HIS 4 15.262 15.889 10.944 26 HB3 HIS 4 1HB HIS 4 15.251 16.762 9.420 27 HD1 HIS 4 HD1 HIS 4 17.525 15.648 11.854 28 HD2 HIS 4 HD2 HIS 4 17.071 19.202 9.741 29 HE1 HIS 4 HE1 HIS 4 19.767 16.793 11.953 30 HE2 HIS 4 HE2 HIS 4 19.518 18.826 10.479 31 H HIS 5 H HIS 5 12.639 18.880 9.444 32 HA HIS 5 HA HIS 5 11.009 16.460 9.336 33 HB2 HIS 5 2HB HIS 5 8.902 17.772 9.453 34 HB3 HIS 5 1HB HIS 5 9.815 17.772 10.952 35 HD1 HIS 5 HD1 HIS 5 10.666 20.018 11.821 36 HD2 HIS 5 HD2 HIS 5 8.732 20.283 8.148 37 HE1 HIS 5 HE1 HIS 5 10.252 22.468 11.446 38 HE2 HIS 5 HE2 HIS 5 9.356 22.606 9.098 39 H HIS 6 H HIS 6 11.213 15.845 7.344 40 HA HIS 6 HA HIS 6 10.272 17.607 5.227 41 HB2 HIS 6 2HB HIS 6 13.048 16.472 5.338 42 HB3 HIS 6 1HB HIS 6 12.245 16.632 3.782 43 HD1 HIS 6 HD1 HIS 6 11.483 19.142 3.146 44 HD2 HIS 6 HD2 HIS 6 14.244 18.758 6.238 45 HE1 HIS 6 HE1 HIS 6 12.532 21.410 3.406 46 HE2 HIS 6 HE2 HIS 6 14.346 21.092 5.120 47 H HIS 7 H HIS 7 8.629 16.448 4.458 48 HA HIS 7 HA HIS 7 8.505 13.622 4.596 49 HB2 HIS 7 2HB HIS 7 6.459 13.769 3.313 50 HB3 HIS 7 1HB HIS 7 6.484 15.055 4.507 51 HD1 HIS 7 HD1 HIS 7 5.297 14.614 1.315 52 HD2 HIS 7 HD2 HIS 7 7.817 17.478 2.978 53 HE1 HIS 7 HE1 HIS 7 5.164 16.612 -0.214 54 HE2 HIS 7 HE2 HIS 7 6.806 18.276 0.742 55 H HIS 8 H HIS 8 9.237 12.085 3.305 56 HA HIS 8 HA HIS 8 11.046 12.823 1.198 57 HB2 HIS 8 2HB HIS 8 10.189 10.155 2.323 58 HB3 HIS 8 1HB HIS 8 11.319 10.302 0.982 59 HD1 HIS 8 HD1 HIS 8 13.541 9.753 1.919 60 HD2 HIS 8 HD2 HIS 8 11.375 12.254 4.443 61 HE1 HIS 8 HE1 HIS 8 15.096 10.320 3.816 62 HE2 HIS 8 HE2 HIS 8 13.763 11.814 5.344 63 H SER 9 H SER 9 11.018 11.692 -0.928 64 HA SER 9 HA SER 9 8.596 12.319 -2.272 65 HB2 SER 9 2HB SER 9 11.069 10.880 -3.259 66 HB3 SER 9 1HB SER 9 9.778 11.500 -4.287 67 HG SER 9 HG SER 9 10.240 13.600 -3.459 68 H HIS 10 H HIS 10 10.014 9.288 -1.161 69 HA HIS 10 HA HIS 10 7.531 8.005 -2.055 70 HB2 HIS 10 2HB HIS 10 8.709 5.832 -2.056 71 HB3 HIS 10 1HB HIS 10 9.357 6.964 -3.229 72 HD1 HIS 10 HD1 HIS 10 11.799 7.130 -3.282 73 HD2 HIS 10 HD2 HIS 10 10.440 5.698 0.379 74 HE1 HIS 10 HE1 HIS 10 13.863 6.462 -2.002 75 HE2 HIS 10 HE2 HIS 10 13.003 5.447 0.138 76 H MET 11 H MET 11 6.386 6.776 -0.669 77 HA MET 11 HA MET 11 7.132 7.101 2.161 78 HB2 MET 11 2HB MET 11 4.438 7.105 0.806 79 HB3 MET 11 1HB MET 11 4.620 6.918 2.543 80 HG2 MET 11 2HG MET 11 5.537 9.280 0.919 81 HG3 MET 11 1HG MET 11 4.090 9.210 1.924 82 HE1 MET 11 3HE MET 11 4.791 11.382 3.250 83 HE2 MET 11 1HE MET 11 6.216 11.521 2.219 84 HE3 MET 11 2HE MET 11 6.383 11.614 3.973 85 H LYS 12 H LYS 12 7.255 5.339 3.394 86 HA LYS 12 HA LYS 12 6.555 2.764 2.222 87 HB2 LYS 12 2HB LYS 12 8.097 3.525 4.700 88 HB3 LYS 12 1HB LYS 12 7.639 1.867 4.336 89 HG2 LYS 12 2HG LYS 12 8.881 2.072 2.186 90 HG3 LYS 12 1HG LYS 12 9.460 3.648 2.737 91 HD2 LYS 12 2HD LYS 12 10.578 2.669 4.600 92 HD3 LYS 12 1HD LYS 12 9.821 1.105 4.305 93 HE2 LYS 12 2HE LYS 12 11.015 1.082 2.082 94 HE3 LYS 12 1HE LYS 12 11.920 2.487 2.652 95 HZ1 LYS 12 3HZ LYS 12 13.123 0.419 3.056 96 HZ2 LYS 12 1HZ LYS 12 11.833 -0.164 3.998 97 HZ3 LYS 12 2HZ LYS 12 12.725 1.184 4.515 98 H PHE 13 H PHE 13 4.530 2.131 2.494 99 HA PHE 13 HA PHE 13 3.247 2.748 5.062 100 HB2 PHE 13 2HB PHE 13 1.096 2.787 3.959 101 HB3 PHE 13 1HB PHE 13 2.180 3.905 3.148 102 HD1 PHE 13 HD1 PHE 13 3.518 2.693 1.104 103 HD2 PHE 13 HD2 PHE 13 -0.293 1.588 2.632 104 HE1 PHE 13 HE1 PHE 13 2.953 1.651 -1.053 105 HE2 PHE 13 HE2 PHE 13 -0.858 0.542 0.482 106 HZ PHE 13 HZ PHE 13 0.767 0.573 -1.364 107 H LEU 14 H LEU 14 2.572 1.147 6.264 108 HA LEU 14 HA LEU 14 3.286 -1.535 5.498 109 HB2 LEU 14 2HB LEU 14 3.704 -0.679 7.762 110 HB3 LEU 14 1HB LEU 14 1.982 -0.462 8.002 111 HG LEU 14 HG LEU 14 1.697 -2.935 7.759 112 HD11 LEU 14 1HD1 LEU 14 3.729 -3.408 6.495 113 HD12 LEU 14 2HD1 LEU 14 3.670 -4.353 7.982 114 HD13 LEU 14 3HD1 LEU 14 4.709 -2.932 7.881 115 HD21 LEU 14 3HD2 LEU 14 1.781 -1.873 9.943 116 HD22 LEU 14 1HD2 LEU 14 3.540 -1.987 9.949 117 HD23 LEU 14 2HD2 LEU 14 2.560 -3.454 9.989 118 H VAL 15 H VAL 15 1.947 -2.513 4.107 119 HA VAL 15 HA VAL 15 -0.928 -2.258 4.434 120 HB VAL 15 HB VAL 15 -0.938 -3.948 2.475 121 HG11 VAL 15 1HG1 VAL 15 -1.593 -1.646 2.226 122 HG12 VAL 15 2HG1 VAL 15 -0.585 -2.116 0.856 123 HG13 VAL 15 3HG1 VAL 15 0.094 -1.137 2.158 124 HG21 VAL 15 3HG2 VAL 15 1.914 -2.978 2.323 125 HG22 VAL 15 1HG2 VAL 15 1.062 -3.867 1.060 126 HG23 VAL 15 2HG2 VAL 15 1.389 -4.638 2.612 127 H GLU 16 H GLU 16 -1.781 -3.390 6.008 128 HA GLU 16 HA GLU 16 -0.721 -6.066 6.537 129 HB2 GLU 16 2HB GLU 16 -0.789 -4.466 8.429 130 HB3 GLU 16 1HB GLU 16 -2.536 -4.367 8.254 131 HG2 GLU 16 2HG GLU 16 -2.833 -6.605 8.921 132 HG3 GLU 16 1HG GLU 16 -1.112 -6.955 8.768 133 H ASN 17 H ASN 17 -1.734 -7.438 5.211 134 HA ASN 17 HA ASN 17 -4.549 -7.307 4.677 135 HB2 ASN 17 2HB ASN 17 -2.858 -8.322 3.114 136 HB3 ASN 17 1HB ASN 17 -2.663 -9.639 4.262 137 HD21 ASN 17 1HD2 ASN 17 -3.561 -9.671 1.493 138 HD22 ASN 17 2HD2 ASN 17 -5.126 -10.403 1.503 139 H LEU 18 H LEU 18 -6.135 -8.093 5.900 140 HA LEU 18 HA LEU 18 -5.573 -8.921 8.536 141 HB2 LEU 18 2HB LEU 18 -7.660 -7.737 7.540 142 HB3 LEU 18 1HB LEU 18 -8.228 -9.364 7.217 143 HG LEU 18 HG LEU 18 -8.003 -9.874 9.650 144 HD11 LEU 18 1HD1 LEU 18 -7.770 -8.014 11.212 145 HD12 LEU 18 2HD1 LEU 18 -7.496 -6.908 9.865 146 HD13 LEU 18 3HD1 LEU 18 -6.331 -8.188 10.208 147 HD21 LEU 18 3HD2 LEU 18 -9.790 -7.562 8.903 148 HD22 LEU 18 1HD2 LEU 18 -9.988 -8.587 10.324 149 HD23 LEU 18 2HD2 LEU 18 -10.160 -9.276 8.710 150 H ASN 19 H ASN 19 -6.030 -10.672 5.594 151 HA ASN 19 HA ASN 19 -6.065 -13.203 7.107 152 HB2 ASN 19 2HB ASN 19 -7.939 -12.659 5.420 153 HB3 ASN 19 1HB ASN 19 -6.722 -12.918 4.176 154 HD21 ASN 19 1HD2 ASN 19 -5.919 -15.004 3.838 155 HD22 ASN 19 2HD2 ASN 19 -6.712 -16.409 4.469 156 H GLY 20 H GLY 20 -4.068 -11.135 5.482 157 HA2 GLY 20 2HA GLY 20 -2.402 -13.284 4.338 158 HA3 GLY 20 1HA GLY 20 -2.373 -11.608 3.817 159 H SER 21 H SER 21 -0.541 -10.648 4.360 160 HA SER 21 HA SER 21 0.545 -11.059 7.046 161 HB2 SER 21 2HB SER 21 1.670 -12.660 5.474 162 HB3 SER 21 1HB SER 21 2.228 -11.282 4.531 163 HG SER 21 HG SER 21 2.970 -10.734 6.962 164 H SER 22 H SER 22 1.552 -9.256 7.885 165 HA SER 22 HA SER 22 1.093 -6.737 6.663 166 HB2 SER 22 2HB SER 22 3.046 -7.278 8.907 167 HB3 SER 22 1HB SER 22 2.111 -5.812 8.605 168 HG SER 22 HG SER 22 0.584 -6.636 9.776 169 H PHE 23 H PHE 23 2.240 -5.841 5.054 170 HA PHE 23 HA PHE 23 5.063 -6.637 4.755 171 HB2 PHE 23 2HB PHE 23 3.646 -7.732 3.067 172 HB3 PHE 23 1HB PHE 23 3.033 -6.167 2.555 173 HD1 PHE 23 HD1 PHE 23 6.167 -8.143 2.837 174 HD2 PHE 23 HD2 PHE 23 4.097 -4.991 0.865 175 HE1 PHE 23 HE1 PHE 23 7.991 -7.977 1.194 176 HE2 PHE 23 HE2 PHE 23 5.917 -4.818 -0.781 177 HZ PHE 23 HZ PHE 23 7.868 -6.314 -0.617 178 H GLU 24 H GLU 24 6.517 -5.027 4.457 179 HA GLU 24 HA GLU 24 5.600 -2.290 4.594 180 HB2 GLU 24 2HB GLU 24 7.619 -2.971 5.812 181 HB3 GLU 24 1HB GLU 24 8.390 -3.429 4.299 182 HG2 GLU 24 2HG GLU 24 8.233 -1.074 3.557 183 HG3 GLU 24 1HG GLU 24 7.577 -0.655 5.139 184 H LEU 25 H LEU 25 4.811 -1.386 2.797 185 HA LEU 25 HA LEU 25 6.047 -2.093 0.224 186 HB2 LEU 25 2HB LEU 25 3.445 -2.284 0.916 187 HB3 LEU 25 1HB LEU 25 3.465 -0.646 0.297 188 HG LEU 25 HG LEU 25 4.371 -3.072 -1.259 189 HD11 LEU 25 1HD1 LEU 25 2.290 -2.790 -2.511 190 HD12 LEU 25 2HD1 LEU 25 1.801 -1.510 -1.400 191 HD13 LEU 25 3HD1 LEU 25 1.988 -3.162 -0.813 192 HD21 LEU 25 3HD2 LEU 25 3.854 -0.237 -2.147 193 HD22 LEU 25 1HD2 LEU 25 4.320 -1.588 -3.183 194 HD23 LEU 25 2HD2 LEU 25 5.442 -0.984 -1.963 195 H GLU 26 H GLU 26 7.012 -0.562 -0.955 196 HA GLU 26 HA GLU 26 6.971 2.191 0.085 197 HB2 GLU 26 2HB GLU 26 9.151 1.109 0.296 198 HB3 GLU 26 1HB GLU 26 9.142 0.713 -1.418 199 HG2 GLU 26 2HG GLU 26 9.003 3.211 -1.836 200 HG3 GLU 26 1HG GLU 26 9.407 3.406 -0.130 201 H VAL 27 H VAL 27 5.827 3.525 -1.167 202 HA VAL 27 HA VAL 27 6.148 3.281 -4.084 203 HB VAL 27 HB VAL 27 3.849 4.113 -4.408 204 HG11 VAL 27 1HG1 VAL 27 4.290 1.717 -4.526 205 HG12 VAL 27 2HG1 VAL 27 2.681 2.037 -3.879 206 HG13 VAL 27 3HG1 VAL 27 3.991 1.569 -2.794 207 HG21 VAL 27 3HG2 VAL 27 3.544 5.244 -2.274 208 HG22 VAL 27 1HG2 VAL 27 3.564 3.694 -1.435 209 HG23 VAL 27 2HG2 VAL 27 2.252 4.075 -2.551 210 H ASP 28 H ASP 28 6.015 5.260 -5.251 211 HA ASP 28 HA ASP 28 6.948 7.538 -3.686 212 HB2 ASP 28 2HB ASP 28 8.165 6.853 -5.743 213 HB3 ASP 28 1HB ASP 28 6.717 7.168 -6.687 214 H TYR 29 H TYR 29 6.000 9.691 -4.106 215 HA TYR 29 HA TYR 29 3.263 9.832 -3.718 216 HB2 TYR 29 2HB TYR 29 5.342 11.770 -4.587 217 HB3 TYR 29 1HB TYR 29 3.663 12.239 -4.798 218 HD1 TYR 29 HD2 TYR 29 6.140 11.143 -2.267 219 HD2 TYR 29 HD1 TYR 29 2.400 13.034 -2.983 220 HE1 TYR 29 HE2 TYR 29 6.070 11.876 0.074 221 HE2 TYR 29 HE1 TYR 29 2.318 13.777 -0.640 222 HH TYR 29 HH TYR 29 3.260 13.176 1.529 223 H ARG 30 H ARG 30 5.057 9.692 -6.734 224 HA ARG 30 HA ARG 30 2.713 10.450 -8.274 225 HB2 ARG 30 2HB ARG 30 4.995 11.286 -8.833 226 HB3 ARG 30 1HB ARG 30 5.446 9.645 -9.278 227 HG2 ARG 30 2HG ARG 30 3.874 9.631 -11.078 228 HG3 ARG 30 1HG ARG 30 3.187 11.168 -10.552 229 HD2 ARG 30 2HD ARG 30 5.300 12.282 -11.030 230 HD3 ARG 30 1HD ARG 30 6.004 10.746 -11.538 231 HE ARG 30 HE ARG 30 4.664 10.781 -13.475 232 HH11 ARG 30 1HH1 ARG 30 4.112 13.587 -11.445 233 HH12 ARG 30 2HH1 ARG 30 3.438 14.546 -12.729 234 HH21 ARG 30 1HH2 ARG 30 3.749 12.039 -15.165 235 HH22 ARG 30 2HH2 ARG 30 3.223 13.660 -14.832 236 H ASP 31 H ASP 31 3.659 7.605 -6.898 237 HA ASP 31 HA ASP 31 3.042 5.835 -9.071 238 HB2 ASP 31 2HB ASP 31 3.493 5.482 -6.142 239 HB3 ASP 31 1HB ASP 31 2.628 4.216 -7.005 240 H THR 32 H THR 32 1.123 5.060 -9.713 241 HA THR 32 HA THR 32 -1.233 6.368 -8.702 242 HB THR 32 HB THR 32 -2.412 5.034 -10.474 243 HG1 THR 32 HG1 THR 32 -0.372 4.319 -11.971 244 HG21 THR 32 3HG2 THR 32 -1.607 7.303 -10.911 245 HG22 THR 32 1HG2 THR 32 -1.465 6.295 -12.350 246 HG23 THR 32 2HG2 THR 32 -0.035 6.660 -11.385 247 H LEU 33 H LEU 33 -3.180 5.210 -8.158 248 HA LEU 33 HA LEU 33 -2.653 3.184 -6.204 249 HB2 LEU 33 2HB LEU 33 -5.265 4.339 -7.183 250 HB3 LEU 33 1HB LEU 33 -5.061 3.342 -5.754 251 HG LEU 33 HG LEU 33 -3.796 6.056 -6.145 252 HD11 LEU 33 1HD1 LEU 33 -5.423 6.871 -4.549 253 HD12 LEU 33 2HD1 LEU 33 -6.157 5.271 -4.444 254 HD13 LEU 33 3HD1 LEU 33 -6.241 6.182 -5.951 255 HD21 LEU 33 3HD2 LEU 33 -2.522 4.571 -4.682 256 HD22 LEU 33 1HD2 LEU 33 -3.970 4.274 -3.717 257 HD23 LEU 33 2HD2 LEU 33 -3.263 5.888 -3.774 258 H LEU 34 H LEU 34 -2.854 2.970 -9.433 259 HA LEU 34 HA LEU 34 -4.217 0.381 -9.440 260 HB2 LEU 34 2HB LEU 34 -4.800 1.985 -11.220 261 HB3 LEU 34 1HB LEU 34 -3.127 2.007 -11.742 262 HG LEU 34 HG LEU 34 -3.279 -0.367 -12.352 263 HD11 LEU 34 1HD1 LEU 34 -4.950 -1.071 -10.732 264 HD12 LEU 34 2HD1 LEU 34 -5.454 -1.486 -12.370 265 HD13 LEU 34 3HD1 LEU 34 -6.172 -0.098 -11.549 266 HD21 LEU 34 3HD2 LEU 34 -3.778 1.359 -14.007 267 HD22 LEU 34 1HD2 LEU 34 -5.477 1.315 -13.538 268 HD23 LEU 34 2HD2 LEU 34 -4.731 -0.099 -14.285 269 H VAL 35 H VAL 35 -1.094 1.879 -10.267 270 HA VAL 35 HA VAL 35 0.214 -0.520 -10.978 271 HB VAL 35 HB VAL 35 1.353 2.103 -9.995 272 HG11 VAL 35 1HG1 VAL 35 2.927 0.285 -9.531 273 HG12 VAL 35 2HG1 VAL 35 3.516 1.329 -10.826 274 HG13 VAL 35 3HG1 VAL 35 2.811 -0.242 -11.209 275 HG21 VAL 35 3HG2 VAL 35 0.212 2.283 -12.114 276 HG22 VAL 35 1HG2 VAL 35 1.087 0.885 -12.739 277 HG23 VAL 35 2HG2 VAL 35 1.953 2.376 -12.377 278 H VAL 36 H VAL 36 -0.151 1.173 -7.896 279 HA VAL 36 HA VAL 36 1.607 -0.421 -6.399 280 HB VAL 36 HB VAL 36 0.695 1.703 -5.547 281 HG11 VAL 36 1HG1 VAL 36 -1.557 1.810 -4.604 282 HG12 VAL 36 2HG1 VAL 36 -1.886 0.186 -5.206 283 HG13 VAL 36 3HG1 VAL 36 -1.595 1.505 -6.342 284 HG21 VAL 36 3HG2 VAL 36 0.097 -0.673 -3.790 285 HG22 VAL 36 1HG2 VAL 36 0.305 0.987 -3.230 286 HG23 VAL 36 2HG2 VAL 36 1.657 0.129 -3.971 287 H LYS 37 H LYS 37 -1.738 -0.940 -7.384 288 HA LYS 37 HA LYS 37 -2.270 -3.154 -5.706 289 HB2 LYS 37 2HB LYS 37 -3.426 -2.362 -8.376 290 HB3 LYS 37 1HB LYS 37 -4.014 -3.726 -7.439 291 HG2 LYS 37 2HG LYS 37 -4.488 -2.123 -5.574 292 HG3 LYS 37 1HG LYS 37 -4.100 -0.816 -6.697 293 HD2 LYS 37 2HD LYS 37 -5.848 -1.565 -8.206 294 HD3 LYS 37 1HD LYS 37 -6.220 -2.917 -7.137 295 HE2 LYS 37 2HE LYS 37 -6.781 -1.258 -5.364 296 HE3 LYS 37 1HE LYS 37 -6.571 0.018 -6.564 297 HZ1 LYS 37 3HZ LYS 37 -8.288 -1.122 -7.922 298 HZ2 LYS 37 1HZ LYS 37 -8.873 -0.532 -6.441 299 HZ3 LYS 37 2HZ LYS 37 -8.557 -2.181 -6.627 300 H GLN 38 H GLN 38 -0.760 -2.826 -8.850 301 HA GLN 38 HA GLN 38 -0.602 -5.568 -9.495 302 HB2 GLN 38 2HB GLN 38 1.235 -3.297 -10.287 303 HB3 GLN 38 1HB GLN 38 1.206 -4.885 -11.040 304 HG2 GLN 38 2HG GLN 38 -1.000 -4.516 -11.886 305 HG3 GLN 38 1HG GLN 38 -1.145 -3.011 -10.977 306 HE21 GLN 38 1HE2 GLN 38 -1.348 -3.534 -13.858 307 HE22 GLN 38 2HE2 GLN 38 -0.179 -2.497 -14.603 308 H LYS 39 H LYS 39 1.247 -3.494 -7.423 309 HA LYS 39 HA LYS 39 3.422 -5.353 -7.041 310 HB2 LYS 39 2HB LYS 39 2.680 -2.917 -5.402 311 HB3 LYS 39 1HB LYS 39 4.233 -3.740 -5.412 312 HG2 LYS 39 2HG LYS 39 4.676 -3.022 -7.651 313 HG3 LYS 39 1HG LYS 39 3.045 -2.372 -7.815 314 HD2 LYS 39 2HD LYS 39 4.476 -0.522 -7.422 315 HD3 LYS 39 1HD LYS 39 3.592 -0.807 -5.924 316 HE2 LYS 39 2HE LYS 39 5.877 -0.374 -5.368 317 HE3 LYS 39 1HE LYS 39 5.560 -2.083 -5.083 318 HZ1 LYS 39 3HZ LYS 39 7.693 -1.634 -6.214 319 HZ2 LYS 39 1HZ LYS 39 6.839 -1.012 -7.542 320 HZ3 LYS 39 2HZ LYS 39 6.668 -2.646 -7.112 321 H ILE 40 H ILE 40 0.565 -4.270 -5.262 322 HA ILE 40 HA ILE 40 0.986 -5.777 -2.920 323 HB ILE 40 HB ILE 40 -1.625 -4.816 -4.107 324 HG12 ILE 40 2HG1 ILE 40 0.148 -3.581 -1.987 325 HG13 ILE 40 1HG1 ILE 40 0.018 -3.026 -3.652 326 HG21 ILE 40 1HG2 ILE 40 -0.975 -5.791 -1.327 327 HG22 ILE 40 2HG2 ILE 40 -2.054 -6.556 -2.494 328 HG23 ILE 40 3HG2 ILE 40 -2.482 -4.998 -1.788 329 HD11 ILE 40 3HD1 ILE 40 -2.215 -3.048 -1.634 330 HD12 ILE 40 1HD1 ILE 40 -2.316 -2.460 -3.294 331 HD13 ILE 40 2HD1 ILE 40 -1.275 -1.639 -2.130 332 H GLU 41 H GLU 41 -0.661 -6.521 -5.948 333 HA GLU 41 HA GLU 41 -2.028 -8.823 -5.209 334 HB2 GLU 41 2HB GLU 41 -2.355 -7.712 -7.366 335 HB3 GLU 41 1HB GLU 41 -0.737 -8.184 -7.870 336 HG2 GLU 41 2HG GLU 41 -1.375 -10.523 -7.795 337 HG3 GLU 41 1HG GLU 41 -2.987 -10.081 -7.236 338 H ARG 42 H ARG 42 1.324 -8.413 -6.187 339 HA ARG 42 HA ARG 42 1.876 -11.203 -6.379 340 HB2 ARG 42 2HB ARG 42 3.130 -9.330 -7.535 341 HB3 ARG 42 1HB ARG 42 3.862 -8.967 -5.979 342 HG2 ARG 42 2HG ARG 42 4.870 -11.163 -5.903 343 HG3 ARG 42 1HG ARG 42 4.081 -11.600 -7.420 344 HD2 ARG 42 2HD ARG 42 6.232 -9.546 -6.967 345 HD3 ARG 42 1HD ARG 42 6.314 -11.000 -7.959 346 HE ARG 42 HE ARG 42 5.003 -8.478 -8.641 347 HH11 ARG 42 1HH1 ARG 42 5.646 -11.808 -9.511 348 HH12 ARG 42 2HH1 ARG 42 5.284 -11.569 -11.194 349 HH21 ARG 42 1HH2 ARG 42 4.554 -8.145 -10.830 350 HH22 ARG 42 2HH2 ARG 42 4.705 -9.463 -11.954 351 H SER 43 H SER 43 2.559 -8.705 -3.949 352 HA SER 43 HA SER 43 3.961 -10.446 -2.206 353 HB2 SER 43 2HB SER 43 2.658 -7.778 -1.618 354 HB3 SER 43 1HB SER 43 3.859 -8.585 -0.609 355 HG SER 43 HG SER 43 5.401 -8.081 -2.003 356 H GLN 44 H GLN 44 0.593 -9.288 -2.245 357 HA GLN 44 HA GLN 44 0.045 -10.763 0.210 358 HB2 GLN 44 2HB GLN 44 -1.676 -8.938 -1.464 359 HB3 GLN 44 1HB GLN 44 -2.234 -9.750 -0.009 360 HG2 GLN 44 2HG GLN 44 -0.003 -7.739 -0.177 361 HG3 GLN 44 1HG GLN 44 -1.623 -7.451 0.453 362 HE21 GLN 44 1HE2 GLN 44 0.902 -7.113 1.792 363 HE22 GLN 44 2HE2 GLN 44 0.873 -8.148 3.179 364 H HIS 45 H HIS 45 -0.031 -11.346 -3.084 365 HA HIS 45 HA HIS 45 -0.609 -13.178 -4.286 366 HB2 HIS 45 2HB HIS 45 -1.563 -14.353 -1.666 367 HB3 HIS 45 1HB HIS 45 -1.314 -15.237 -3.166 368 HD1 HIS 45 HD1 HIS 45 0.208 -15.058 -0.111 369 HD2 HIS 45 HD2 HIS 45 1.664 -14.467 -3.967 370 HE1 HIS 45 HE1 HIS 45 2.698 -15.397 0.040 371 HE2 HIS 45 HE2 HIS 45 3.573 -14.877 -2.268 372 H ILE 46 H ILE 46 -2.627 -11.017 -3.267 373 HA ILE 46 HA ILE 46 -5.074 -12.447 -4.044 374 HB ILE 46 HB ILE 46 -6.320 -10.552 -3.009 375 HG12 ILE 46 2HG1 ILE 46 -3.604 -9.766 -1.918 376 HG13 ILE 46 1HG1 ILE 46 -4.495 -8.871 -3.146 377 HG21 ILE 46 1HG2 ILE 46 -5.935 -11.257 -0.693 378 HG22 ILE 46 2HG2 ILE 46 -4.441 -12.052 -1.191 379 HG23 ILE 46 3HG2 ILE 46 -5.992 -12.629 -1.801 380 HD11 ILE 46 3HD1 ILE 46 -4.724 -7.848 -0.953 381 HD12 ILE 46 1HD1 ILE 46 -5.393 -9.347 -0.311 382 HD13 ILE 46 2HD1 ILE 46 -6.278 -8.441 -1.539 383 HA PRO 47 HA PRO 47 -5.046 -10.412 -7.965 384 HB2 PRO 47 2HB PRO 47 -8.003 -10.543 -7.645 385 HB3 PRO 47 1HB PRO 47 -6.990 -11.114 -8.976 386 HG2 PRO 47 2HG PRO 47 -8.051 -12.835 -7.252 387 HG3 PRO 47 1HG PRO 47 -6.400 -13.064 -7.857 388 HD2 PRO 47 2HD PRO 47 -7.325 -12.034 -5.207 389 HD3 PRO 47 1HD PRO 47 -5.948 -13.086 -5.590 390 H VAL 48 H VAL 48 -5.411 -8.421 -8.861 391 HA VAL 48 HA VAL 48 -5.426 -6.172 -7.289 392 HB VAL 48 HB VAL 48 -6.316 -6.428 -10.165 393 HG11 VAL 48 1HG1 VAL 48 -5.745 -4.053 -10.378 394 HG12 VAL 48 2HG1 VAL 48 -5.470 -3.974 -8.637 395 HG13 VAL 48 3HG1 VAL 48 -7.084 -4.316 -9.262 396 HG21 VAL 48 3HG2 VAL 48 -4.054 -7.254 -9.733 397 HG22 VAL 48 1HG2 VAL 48 -3.634 -5.710 -8.992 398 HG23 VAL 48 2HG2 VAL 48 -4.035 -5.784 -10.707 399 H SER 49 H SER 49 -8.237 -7.642 -8.913 400 HA SER 49 HA SER 49 -10.029 -5.583 -8.093 401 HB2 SER 49 2HB SER 49 -10.438 -6.980 -10.090 402 HB3 SER 49 1HB SER 49 -10.662 -8.384 -9.046 403 HG SER 49 HG SER 49 -12.272 -6.638 -8.046 404 H LYS 50 H LYS 50 -8.643 -8.156 -6.384 405 HA LYS 50 HA LYS 50 -10.915 -8.278 -4.525 406 HB2 LYS 50 2HB LYS 50 -8.562 -10.129 -4.898 407 HB3 LYS 50 1HB LYS 50 -9.707 -10.269 -3.570 408 HG2 LYS 50 2HG LYS 50 -11.523 -10.514 -5.270 409 HG3 LYS 50 1HG LYS 50 -10.267 -10.583 -6.508 410 HD2 LYS 50 2HD LYS 50 -9.304 -12.549 -5.460 411 HD3 LYS 50 1HD LYS 50 -10.491 -12.464 -4.158 412 HE2 LYS 50 2HE LYS 50 -12.290 -12.806 -5.812 413 HE3 LYS 50 1HE LYS 50 -11.075 -12.952 -7.081 414 HZ1 LYS 50 3HZ LYS 50 -10.154 -14.870 -5.868 415 HZ2 LYS 50 1HZ LYS 50 -11.756 -15.126 -6.364 416 HZ3 LYS 50 2HZ LYS 50 -11.419 -14.758 -4.744 417 H GLN 51 H GLN 51 -8.526 -6.318 -4.890 418 HA GLN 51 HA GLN 51 -7.445 -6.439 -2.183 419 HB2 GLN 51 2HB GLN 51 -6.774 -4.680 -4.546 420 HB3 GLN 51 1HB GLN 51 -6.029 -4.518 -2.960 421 HG2 GLN 51 2HG GLN 51 -5.089 -6.721 -3.119 422 HG3 GLN 51 1HG GLN 51 -5.938 -7.012 -4.637 423 HE21 GLN 51 1HE2 GLN 51 -4.027 -7.412 -5.722 424 HE22 GLN 51 2HE2 GLN 51 -2.925 -6.147 -6.149 425 H THR 52 H THR 52 -9.098 -5.800 -0.871 426 HA THR 52 HA THR 52 -10.566 -3.367 -1.398 427 HB THR 52 HB THR 52 -10.518 -4.876 1.216 428 HG1 THR 52 HG1 THR 52 -11.076 -6.471 -0.157 429 HG21 THR 52 3HG2 THR 52 -11.663 -2.705 1.186 430 HG22 THR 52 1HG2 THR 52 -12.805 -4.030 1.411 431 HG23 THR 52 2HG2 THR 52 -12.659 -3.249 -0.163 432 H LEU 53 H LEU 53 -9.124 -1.697 -1.416 433 HA LEU 53 HA LEU 53 -7.056 -1.425 0.545 434 HB2 LEU 53 2HB LEU 53 -8.094 0.619 -1.422 435 HB3 LEU 53 1HB LEU 53 -6.594 0.720 -0.525 436 HG LEU 53 HG LEU 53 -7.232 -1.322 -2.656 437 HD11 LEU 53 1HD1 LEU 53 -5.546 -0.133 -3.962 438 HD12 LEU 53 2HD1 LEU 53 -5.374 1.052 -2.668 439 HD13 LEU 53 3HD1 LEU 53 -6.896 0.924 -3.548 440 HD21 LEU 53 3HD2 LEU 53 -4.674 -0.831 -1.135 441 HD22 LEU 53 1HD2 LEU 53 -4.903 -1.987 -2.447 442 HD23 LEU 53 2HD2 LEU 53 -5.751 -2.211 -0.915 443 H ILE 54 H ILE 54 -8.025 -1.330 2.565 444 HA ILE 54 HA ILE 54 -9.921 0.838 3.066 445 HB ILE 54 HB ILE 54 -8.902 -1.273 4.982 446 HG12 ILE 54 2HG1 ILE 54 -11.530 -1.142 3.483 447 HG13 ILE 54 1HG1 ILE 54 -10.189 -2.205 3.066 448 HG21 ILE 54 1HG2 ILE 54 -11.204 0.668 5.195 449 HG22 ILE 54 2HG2 ILE 54 -9.698 0.733 6.111 450 HG23 ILE 54 3HG2 ILE 54 -10.825 -0.602 6.359 451 HD11 ILE 54 3HD1 ILE 54 -10.416 -3.304 5.252 452 HD12 ILE 54 1HD1 ILE 54 -11.882 -3.419 4.279 453 HD13 ILE 54 2HD1 ILE 54 -11.795 -2.267 5.610 454 H VAL 55 H VAL 55 -8.714 2.689 2.995 455 HA VAL 55 HA VAL 55 -6.297 2.828 4.642 456 HB VAL 55 HB VAL 55 -7.408 4.866 2.699 457 HG11 VAL 55 1HG1 VAL 55 -6.083 5.904 4.468 458 HG12 VAL 55 2HG1 VAL 55 -5.229 5.965 2.925 459 HG13 VAL 55 3HG1 VAL 55 -4.760 4.782 4.146 460 HG21 VAL 55 3HG2 VAL 55 -6.653 2.844 1.570 461 HG22 VAL 55 1HG2 VAL 55 -5.112 2.927 2.425 462 HG23 VAL 55 2HG2 VAL 55 -5.542 4.178 1.260 463 H ASP 56 H ASP 56 -6.953 2.984 6.684 464 HA ASP 56 HA ASP 56 -7.614 3.940 8.621 465 HB2 ASP 56 2HB ASP 56 -6.455 5.937 7.440 466 HB3 ASP 56 1HB ASP 56 -8.091 6.542 7.191 467 H GLY 57 H GLY 57 -9.555 2.773 6.750 468 HA2 GLY 57 2HA GLY 57 -11.806 2.286 7.412 469 HA3 GLY 57 1HA GLY 57 -11.952 3.938 7.990 470 H ILE 58 H ILE 58 -10.479 4.631 5.330 471 HA ILE 58 HA ILE 58 -12.959 4.867 3.787 472 HB ILE 58 HB ILE 58 -10.298 6.234 3.349 473 HG12 ILE 58 2HG1 ILE 58 -12.857 7.301 4.571 474 HG13 ILE 58 1HG1 ILE 58 -11.389 6.906 5.462 475 HG21 ILE 58 1HG2 ILE 58 -11.554 7.705 1.839 476 HG22 ILE 58 2HG2 ILE 58 -12.999 6.727 2.096 477 HG23 ILE 58 3HG2 ILE 58 -11.591 6.027 1.297 478 HD11 ILE 58 3HD1 ILE 58 -10.188 8.645 4.223 479 HD12 ILE 58 1HD1 ILE 58 -11.565 9.290 5.117 480 HD13 ILE 58 2HD1 ILE 58 -11.678 9.055 3.373 481 H VAL 59 H VAL 59 -13.335 3.435 2.249 482 HA VAL 59 HA VAL 59 -11.246 1.724 1.276 483 HB VAL 59 HB VAL 59 -13.474 0.805 1.595 484 HG11 VAL 59 1HG1 VAL 59 -15.335 1.386 0.111 485 HG12 VAL 59 2HG1 VAL 59 -14.360 2.670 -0.602 486 HG13 VAL 59 3HG1 VAL 59 -14.827 2.757 1.096 487 HG21 VAL 59 3HG2 VAL 59 -12.025 -0.227 -0.073 488 HG22 VAL 59 1HG2 VAL 59 -12.684 0.837 -1.314 489 HG23 VAL 59 2HG2 VAL 59 -13.723 -0.359 -0.538 490 H ILE 60 H ILE 60 -9.962 2.076 -0.362 491 HA ILE 60 HA ILE 60 -10.335 4.414 -2.009 492 HB ILE 60 HB ILE 60 -8.141 2.339 -2.040 493 HG12 ILE 60 2HG1 ILE 60 -8.219 3.623 0.040 494 HG13 ILE 60 1HG1 ILE 60 -6.811 4.075 -0.913 495 HG21 ILE 60 1HG2 ILE 60 -6.882 3.966 -3.373 496 HG22 ILE 60 2HG2 ILE 60 -8.309 5.000 -3.441 497 HG23 ILE 60 3HG2 ILE 60 -8.335 3.411 -4.204 498 HD11 ILE 60 3HD1 ILE 60 -7.991 6.081 -1.675 499 HD12 ILE 60 1HD1 ILE 60 -7.837 6.020 0.081 500 HD13 ILE 60 2HD1 ILE 60 -9.377 5.628 -0.684 501 H LEU 61 H LEU 61 -11.927 4.168 -3.457 502 HA LEU 61 HA LEU 61 -11.998 1.802 -5.158 503 HB2 LEU 61 2HB LEU 61 -13.778 4.243 -5.080 504 HB3 LEU 61 1HB LEU 61 -14.027 2.853 -6.117 505 HG LEU 61 HG LEU 61 -14.103 2.806 -3.099 506 HD11 LEU 61 1HD1 LEU 61 -16.334 2.618 -5.118 507 HD12 LEU 61 2HD1 LEU 61 -15.992 4.013 -4.093 508 HD13 LEU 61 3HD1 LEU 61 -16.496 2.487 -3.366 509 HD21 LEU 61 3HD2 LEU 61 -14.695 0.671 -5.145 510 HD22 LEU 61 1HD2 LEU 61 -14.982 0.533 -3.410 511 HD23 LEU 61 2HD2 LEU 61 -13.336 0.695 -4.021 512 H ARG 62 H ARG 62 -10.182 4.436 -5.078 513 HA ARG 62 HA ARG 62 -10.360 5.186 -7.882 514 HB2 ARG 62 2HB ARG 62 -8.847 6.273 -5.525 515 HB3 ARG 62 1HB ARG 62 -8.461 6.774 -7.165 516 HG2 ARG 62 2HG ARG 62 -11.169 7.038 -5.878 517 HG3 ARG 62 1HG ARG 62 -9.972 8.330 -6.013 518 HD2 ARG 62 2HD ARG 62 -10.034 8.114 -8.454 519 HD3 ARG 62 1HD ARG 62 -11.252 6.848 -8.304 520 HE ARG 62 HE ARG 62 -12.380 8.911 -6.984 521 HH11 ARG 62 1HH1 ARG 62 -10.899 8.637 -10.156 522 HH12 ARG 62 2HH1 ARG 62 -11.922 9.848 -10.876 523 HH21 ARG 62 1HH2 ARG 62 -13.701 10.531 -7.924 524 HH22 ARG 62 2HH2 ARG 62 -13.526 10.909 -9.612 525 H GLU 63 H GLU 63 -9.113 4.367 -9.405 526 HA GLU 63 HA GLU 63 -6.501 3.240 -8.619 527 HB2 GLU 63 2HB GLU 63 -8.196 2.400 -10.978 528 HB3 GLU 63 1HB GLU 63 -6.692 1.660 -10.446 529 HG2 GLU 63 2HG GLU 63 -7.754 0.932 -8.387 530 HG3 GLU 63 1HG GLU 63 -9.259 1.705 -8.879 531 H ASP 64 H ASP 64 -8.203 5.552 -10.373 532 HA ASP 64 HA ASP 64 -6.281 5.880 -12.513 533 HB2 ASP 64 2HB ASP 64 -7.784 7.607 -13.328 534 HB3 ASP 64 1HB ASP 64 -8.712 6.174 -12.902 535 H LEU 65 H LEU 65 -6.407 6.851 -9.341 536 HA LEU 65 HA LEU 65 -5.058 9.404 -9.900 537 HB2 LEU 65 2HB LEU 65 -6.533 8.484 -7.433 538 HB3 LEU 65 1HB LEU 65 -5.636 9.987 -7.543 539 HG LEU 65 HG LEU 65 -8.061 9.267 -9.190 540 HD11 LEU 65 1HD1 LEU 65 -8.612 9.707 -6.866 541 HD12 LEU 65 2HD1 LEU 65 -9.166 11.027 -7.898 542 HD13 LEU 65 3HD1 LEU 65 -7.709 11.221 -6.924 543 HD21 LEU 65 3HD2 LEU 65 -6.484 11.834 -9.070 544 HD22 LEU 65 1HD2 LEU 65 -7.961 11.559 -9.993 545 HD23 LEU 65 2HD2 LEU 65 -6.485 10.687 -10.411 546 H THR 66 H THR 66 -3.443 10.021 -8.165 547 HA THR 66 HA THR 66 -1.694 7.720 -7.643 548 HB THR 66 HB THR 66 0.113 9.402 -7.422 549 HG1 THR 66 HG1 THR 66 -0.437 11.584 -8.140 550 HG21 THR 66 3HG2 THR 66 -0.280 8.385 -9.606 551 HG22 THR 66 1HG2 THR 66 0.237 10.061 -9.782 552 HG23 THR 66 2HG2 THR 66 -1.463 9.638 -9.987 553 H VAL 67 H VAL 67 -0.219 8.145 -5.652 554 HA VAL 67 HA VAL 67 -1.752 8.378 -3.299 555 HB VAL 67 HB VAL 67 1.240 8.683 -3.648 556 HG11 VAL 67 1HG1 VAL 67 0.548 9.600 -1.520 557 HG12 VAL 67 2HG1 VAL 67 1.357 8.053 -1.258 558 HG13 VAL 67 3HG1 VAL 67 -0.402 8.156 -1.172 559 HG21 VAL 67 3HG2 VAL 67 1.291 6.310 -2.900 560 HG22 VAL 67 1HG2 VAL 67 0.518 6.544 -4.469 561 HG23 VAL 67 2HG2 VAL 67 -0.468 6.277 -3.031 562 H GLU 68 H GLU 68 0.405 10.620 -4.958 563 HA GLU 68 HA GLU 68 0.296 12.762 -3.157 564 HB2 GLU 68 2HB GLU 68 1.960 12.617 -4.909 565 HB3 GLU 68 1HB GLU 68 0.722 12.700 -6.149 566 HG2 GLU 68 2HG GLU 68 0.192 14.987 -5.442 567 HG3 GLU 68 1HG GLU 68 1.471 14.892 -4.230 568 H GLN 69 H GLN 69 -1.694 12.008 -5.982 569 HA GLN 69 HA GLN 69 -3.108 14.498 -5.858 570 HB2 GLN 69 2HB GLN 69 -2.562 13.208 -7.949 571 HB3 GLN 69 1HB GLN 69 -3.790 12.045 -7.478 572 HG2 GLN 69 2HG GLN 69 -5.517 13.464 -7.956 573 HG3 GLN 69 1HG GLN 69 -4.548 14.912 -7.678 574 HE21 GLN 69 1HE2 GLN 69 -3.249 15.703 -9.301 575 HE22 GLN 69 2HE2 GLN 69 -3.390 15.183 -10.950 576 H CYS 70 H CYS 70 -3.389 11.687 -4.080 577 HA CYS 70 HA CYS 70 -6.225 12.246 -3.504 578 HB2 CYS 70 2HB CYS 70 -4.629 9.766 -2.835 579 HB3 CYS 70 1HB CYS 70 -6.345 10.010 -2.525 580 HG CYS 70 HG CYS 70 -4.764 9.303 -5.422 581 H GLN 71 H GLN 71 -3.154 12.814 -2.402 582 HA GLN 71 HA GLN 71 -2.251 13.602 -0.479 583 HB2 GLN 71 2HB GLN 71 -5.162 14.079 0.162 584 HB3 GLN 71 1HB GLN 71 -3.843 14.618 1.190 585 HG2 GLN 71 2HG GLN 71 -4.195 15.419 -1.688 586 HG3 GLN 71 1HG GLN 71 -4.732 16.378 -0.308 587 HE21 GLN 71 1HE2 GLN 71 -2.005 15.272 -2.151 588 HE22 GLN 71 2HE2 GLN 71 -0.833 16.315 -1.423 589 H ILE 72 H ILE 72 -2.648 10.801 -0.699 590 HA ILE 72 HA ILE 72 -3.643 9.794 1.812 591 HB ILE 72 HB ILE 72 -2.092 8.385 -0.374 592 HG12 ILE 72 2HG1 ILE 72 -5.055 8.384 0.254 593 HG13 ILE 72 1HG1 ILE 72 -4.305 9.243 -1.087 594 HG21 ILE 72 1HG2 ILE 72 -1.828 7.226 1.731 595 HG22 ILE 72 2HG2 ILE 72 -2.914 6.312 0.683 596 HG23 ILE 72 3HG2 ILE 72 -3.568 7.273 2.011 597 HD11 ILE 72 3HD1 ILE 72 -5.336 7.179 -1.831 598 HD12 ILE 72 1HD1 ILE 72 -4.347 6.258 -0.697 599 HD13 ILE 72 2HD1 ILE 72 -3.587 7.110 -2.041 600 H VAL 73 H VAL 73 -2.527 9.518 3.628 601 HA VAL 73 HA VAL 73 0.403 9.795 3.529 602 HB VAL 73 HB VAL 73 0.288 10.417 5.913 603 HG11 VAL 73 1HG1 VAL 73 0.281 12.189 4.255 604 HG12 VAL 73 2HG1 VAL 73 -0.742 12.640 5.620 605 HG13 VAL 73 3HG1 VAL 73 -1.472 12.081 4.116 606 HG21 VAL 73 3HG2 VAL 73 -2.704 10.321 5.534 607 HG22 VAL 73 1HG2 VAL 73 -1.863 10.908 6.969 608 HG23 VAL 73 2HG2 VAL 73 -1.749 9.207 6.512 609 HA PRO 74 HA PRO 74 0.771 5.625 4.967 610 HB2 PRO 74 2HB PRO 74 3.106 5.730 6.331 611 HB3 PRO 74 1HB PRO 74 3.025 5.810 4.566 612 HG2 PRO 74 2HG PRO 74 3.357 8.017 6.557 613 HG3 PRO 74 1HG PRO 74 4.161 7.788 4.994 614 HD2 PRO 74 2HD PRO 74 2.060 9.490 5.371 615 HD3 PRO 74 1HD PRO 74 2.409 8.697 3.821 616 H THR 75 H THR 75 0.639 8.264 7.189 617 HA THR 75 HA THR 75 0.534 6.598 9.551 618 HB THR 75 HB THR 75 -0.217 9.511 9.467 619 HG1 THR 75 HG1 THR 75 1.797 10.034 9.041 620 HG21 THR 75 3HG2 THR 75 1.184 7.815 11.543 621 HG22 THR 75 1HG2 THR 75 -0.526 8.252 11.569 622 HG23 THR 75 2HG2 THR 75 0.705 9.504 11.727 623 H SER 76 H SER 76 -1.275 5.369 8.524 624 HA SER 76 HA SER 76 -3.779 6.237 9.672 625 HB2 SER 76 2HB SER 76 -3.552 5.666 6.700 626 HB3 SER 76 1HB SER 76 -5.061 5.906 7.578 627 HG SER 76 HG SER 76 -3.442 7.955 8.103 628 H ASP 77 H ASP 77 -5.396 4.426 9.589 629 HA ASP 77 HA ASP 77 -4.064 1.914 10.057 630 HB2 ASP 77 2HB ASP 77 -5.977 2.591 11.441 631 HB3 ASP 77 1HB ASP 77 -7.018 2.582 10.021 632 H ILE 78 H ILE 78 -3.271 0.976 8.252 633 HA ILE 78 HA ILE 78 -4.938 0.963 5.843 634 HB ILE 78 HB ILE 78 -2.016 0.231 6.088 635 HG12 ILE 78 2HG1 ILE 78 -3.265 2.806 5.097 636 HG13 ILE 78 1HG1 ILE 78 -2.509 2.609 6.675 637 HG21 ILE 78 1HG2 ILE 78 -3.760 0.775 3.686 638 HG22 ILE 78 2HG2 ILE 78 -3.087 -0.784 4.163 639 HG23 ILE 78 3HG2 ILE 78 -2.017 0.517 3.639 640 HD11 ILE 78 3HD1 ILE 78 -1.142 2.335 4.012 641 HD12 ILE 78 1HD1 ILE 78 -0.378 2.126 5.587 642 HD13 ILE 78 2HD1 ILE 78 -1.013 3.703 5.117 643 H GLN 79 H GLN 79 -6.319 -0.686 6.073 644 HA GLN 79 HA GLN 79 -5.239 -3.338 6.737 645 HB2 GLN 79 2HB GLN 79 -8.083 -2.310 6.834 646 HB3 GLN 79 1HB GLN 79 -7.587 -3.949 7.232 647 HG2 GLN 79 2HG GLN 79 -6.675 -1.469 8.671 648 HG3 GLN 79 1HG GLN 79 -7.962 -2.547 9.213 649 HE21 GLN 79 1HE2 GLN 79 -5.440 -1.828 10.498 650 HE22 GLN 79 2HE2 GLN 79 -4.600 -3.320 10.756 651 H LEU 80 H LEU 80 -5.129 -4.836 5.189 652 HA LEU 80 HA LEU 80 -6.568 -4.343 2.677 653 HB2 LEU 80 2HB LEU 80 -4.268 -6.176 3.330 654 HB3 LEU 80 1HB LEU 80 -5.103 -6.190 1.790 655 HG LEU 80 HG LEU 80 -3.491 -3.917 2.945 656 HD11 LEU 80 1HD1 LEU 80 -3.070 -5.698 0.548 657 HD12 LEU 80 2HD1 LEU 80 -2.149 -5.737 2.051 658 HD13 LEU 80 3HD1 LEU 80 -2.057 -4.327 0.995 659 HD21 LEU 80 3HD2 LEU 80 -5.056 -4.068 0.368 660 HD22 LEU 80 1HD2 LEU 80 -3.950 -2.770 0.821 661 HD23 LEU 80 2HD2 LEU 80 -5.421 -3.040 1.754 662 H GLU 81 H GLU 81 -8.398 -5.367 2.344 663 HA GLU 81 HA GLU 81 -8.761 -8.016 3.578 664 HB2 GLU 81 2HB GLU 81 -10.339 -6.310 4.427 665 HB3 GLU 81 1HB GLU 81 -10.882 -6.010 2.782 666 HG2 GLU 81 2HG GLU 81 -11.606 -8.391 2.661 667 HG3 GLU 81 1HG GLU 81 -11.216 -8.540 4.373 668 H VAL 82 H VAL 82 -9.345 -9.697 2.260 669 HA VAL 82 HA VAL 82 -9.154 -9.305 -0.582 670 HB VAL 82 HB VAL 82 -8.228 -11.343 0.326 671 HG11 VAL 82 1HG1 VAL 82 -9.585 -13.076 1.366 672 HG12 VAL 82 2HG1 VAL 82 -11.007 -12.041 1.259 673 HG13 VAL 82 3HG1 VAL 82 -9.657 -11.577 2.294 674 HG21 VAL 82 3HG2 VAL 82 -10.710 -11.942 -1.275 675 HG22 VAL 82 1HG2 VAL 82 -9.319 -13.010 -1.092 676 HG23 VAL 82 2HG2 VAL 82 -9.142 -11.465 -1.928 677 H SER 83 H SER 83 -10.770 -8.781 -1.879 678 HA SER 83 HA SER 83 -13.394 -8.361 -0.919 679 HB2 SER 83 2HB SER 83 -12.551 -8.533 -3.816 680 HB3 SER 83 1HB SER 83 -13.922 -7.650 -3.147 681 HG SER 83 HG SER 83 -12.246 -6.455 -1.914 682 H SER 84 H SER 84 -14.394 -10.160 -0.184 683 HA SER 84 HA SER 84 -15.475 -11.930 -2.189 684 HB2 SER 84 2HB SER 84 -13.850 -13.032 0.122 685 HB3 SER 84 1HB SER 84 -14.828 -13.996 -0.984 686 HG SER 84 HG SER 84 -12.998 -12.295 -2.181 Start of MODEL 5 1 H1 MET 1 1H MET 1 4.274 28.331 2.350 2 H2 MET 1 2H MET 1 5.273 28.309 0.977 3 H3 MET 1 3H MET 1 5.430 27.104 2.159 4 HA MET 1 HA MET 1 3.293 26.214 1.662 5 HB2 MET 1 2HB MET 1 1.953 27.127 -0.194 6 HB3 MET 1 1HB MET 1 2.162 28.302 1.095 7 HG2 MET 1 2HG MET 1 3.925 29.398 -0.205 8 HG3 MET 1 1HG MET 1 3.680 28.232 -1.503 9 HE1 MET 1 3HE MET 1 2.217 31.548 -2.989 10 HE2 MET 1 1HE MET 1 3.388 30.247 -3.204 11 HE3 MET 1 2HE MET 1 3.593 31.411 -1.895 12 H GLY 2 H GLY 2 3.284 24.455 0.324 13 HA2 GLY 2 2HA GLY 2 3.818 23.899 -2.137 14 HA3 GLY 2 1HA GLY 2 5.449 24.362 -1.670 15 H HIS 3 H HIS 3 5.787 22.116 -2.499 16 HA HIS 3 HA HIS 3 4.939 19.982 -0.712 17 HB2 HIS 3 2HB HIS 3 6.522 20.007 -3.281 18 HB3 HIS 3 1HB HIS 3 6.282 18.550 -2.327 19 HD1 HIS 3 HD1 HIS 3 4.743 20.615 -4.918 20 HD2 HIS 3 HD2 HIS 3 3.514 17.704 -2.213 21 HE1 HIS 3 HE1 HIS 3 2.521 19.798 -5.761 22 HE2 HIS 3 HE2 HIS 3 2.011 17.802 -4.312 23 H HIS 4 H HIS 4 6.047 19.992 1.173 24 HA HIS 4 HA HIS 4 8.932 20.400 1.147 25 HB2 HIS 4 2HB HIS 4 8.724 20.098 3.644 26 HB3 HIS 4 1HB HIS 4 7.855 21.471 2.975 27 HD1 HIS 4 HD1 HIS 4 5.337 21.516 3.231 28 HD2 HIS 4 HD2 HIS 4 7.064 18.002 4.625 29 HE1 HIS 4 HE1 HIS 4 3.508 20.311 4.464 30 HE2 HIS 4 HE2 HIS 4 4.644 18.314 5.501 31 H HIS 5 H HIS 5 7.171 17.981 0.229 32 HA HIS 5 HA HIS 5 9.070 15.963 1.241 33 HB2 HIS 5 2HB HIS 5 6.272 15.973 1.512 34 HB3 HIS 5 1HB HIS 5 6.602 14.834 0.214 35 HD1 HIS 5 HD1 HIS 5 5.642 14.331 3.294 36 HD2 HIS 5 HD2 HIS 5 9.327 13.490 1.575 37 HE1 HIS 5 HE1 HIS 5 6.641 12.510 4.705 38 HE2 HIS 5 HE2 HIS 5 8.945 12.149 3.757 39 H HIS 6 H HIS 6 9.062 17.795 -1.146 40 HA HIS 6 HA HIS 6 8.337 16.142 -3.390 41 HB2 HIS 6 2HB HIS 6 8.863 17.981 -4.782 42 HB3 HIS 6 1HB HIS 6 8.130 18.668 -3.343 43 HD1 HIS 6 HD1 HIS 6 9.507 20.343 -2.024 44 HD2 HIS 6 HD2 HIS 6 11.681 18.456 -5.028 45 HE1 HIS 6 HE1 HIS 6 11.679 21.597 -2.184 46 HE2 HIS 6 HE2 HIS 6 13.024 20.379 -3.932 47 H HIS 7 H HIS 7 11.201 16.724 -1.560 48 HA HIS 7 HA HIS 7 12.909 15.651 -3.678 49 HB2 HIS 7 2HB HIS 7 13.648 17.638 -2.344 50 HB3 HIS 7 1HB HIS 7 13.698 16.611 -0.917 51 HD1 HIS 7 HD1 HIS 7 16.128 16.408 -0.428 52 HD2 HIS 7 HD2 HIS 7 15.279 15.813 -4.460 53 HE1 HIS 7 HE1 HIS 7 18.302 15.701 -1.486 54 HE2 HIS 7 HE2 HIS 7 17.789 15.472 -3.942 55 H HIS 8 H HIS 8 11.654 14.873 -0.492 56 HA HIS 8 HA HIS 8 13.005 12.302 -0.483 57 HB2 HIS 8 2HB HIS 8 11.160 13.668 1.459 58 HB3 HIS 8 1HB HIS 8 11.550 11.960 1.622 59 HD1 HIS 8 HD1 HIS 8 13.748 11.371 2.692 60 HD2 HIS 8 HD2 HIS 8 13.414 15.418 1.771 61 HE1 HIS 8 HE1 HIS 8 15.727 12.483 3.772 62 HE2 HIS 8 HE2 HIS 8 15.402 14.949 3.356 63 H SER 9 H SER 9 11.937 11.821 -2.587 64 HA SER 9 HA SER 9 9.192 11.042 -2.571 65 HB2 SER 9 2HB SER 9 9.915 9.824 -4.702 66 HB3 SER 9 1HB SER 9 10.163 11.572 -4.686 67 HG SER 9 HG SER 9 12.167 9.711 -3.934 68 H HIS 10 H HIS 10 9.024 9.770 -0.686 69 HA HIS 10 HA HIS 10 9.853 7.014 -0.962 70 HB2 HIS 10 2HB HIS 10 11.754 8.506 0.099 71 HB3 HIS 10 1HB HIS 10 10.753 8.391 1.542 72 HD1 HIS 10 HD1 HIS 10 13.447 6.770 -0.110 73 HD2 HIS 10 HD2 HIS 10 10.216 5.488 2.171 74 HE1 HIS 10 HE1 HIS 10 14.045 4.459 0.667 75 HE2 HIS 10 HE2 HIS 10 11.969 3.610 1.807 76 H MET 11 H MET 11 7.776 6.294 -0.695 77 HA MET 11 HA MET 11 6.466 7.033 1.839 78 HB2 MET 11 2HB MET 11 5.287 6.548 -0.883 79 HB3 MET 11 1HB MET 11 4.314 6.376 0.571 80 HG2 MET 11 2HG MET 11 5.769 8.865 -0.285 81 HG3 MET 11 1HG MET 11 4.043 8.564 -0.469 82 HE1 MET 11 3HE MET 11 2.352 8.342 1.591 83 HE2 MET 11 1HE MET 11 2.865 8.404 3.276 84 HE3 MET 11 2HE MET 11 3.365 7.058 2.249 85 H LYS 12 H LYS 12 6.935 5.373 3.157 86 HA LYS 12 HA LYS 12 6.317 2.662 2.205 87 HB2 LYS 12 2HB LYS 12 7.749 3.579 4.706 88 HB3 LYS 12 1HB LYS 12 7.385 1.902 4.326 89 HG2 LYS 12 2HG LYS 12 8.783 2.085 2.305 90 HG3 LYS 12 1HG LYS 12 9.192 3.739 2.770 91 HD2 LYS 12 2HD LYS 12 10.973 2.299 3.481 92 HD3 LYS 12 1HD LYS 12 10.099 2.840 4.914 93 HE2 LYS 12 2HE LYS 12 10.554 0.504 5.161 94 HE3 LYS 12 1HE LYS 12 8.827 0.694 4.865 95 HZ1 LYS 12 3HZ LYS 12 9.233 0.120 2.530 96 HZ2 LYS 12 1HZ LYS 12 9.714 -1.129 3.568 97 HZ3 LYS 12 2HZ LYS 12 10.877 -0.114 2.866 98 H PHE 13 H PHE 13 4.123 2.566 2.318 99 HA PHE 13 HA PHE 13 2.888 3.282 4.884 100 HB2 PHE 13 2HB PHE 13 0.768 3.435 3.729 101 HB3 PHE 13 1HB PHE 13 1.956 4.423 2.892 102 HD1 PHE 13 HD1 PHE 13 3.123 3.306 0.845 103 HD2 PHE 13 HD2 PHE 13 -0.538 1.970 2.545 104 HE1 PHE 13 HE1 PHE 13 2.556 2.180 -1.268 105 HE2 PHE 13 HE2 PHE 13 -1.106 0.836 0.439 106 HZ PHE 13 HZ PHE 13 0.441 0.940 -1.469 107 H LEU 14 H LEU 14 1.568 1.833 5.958 108 HA LEU 14 HA LEU 14 2.406 -0.912 5.493 109 HB2 LEU 14 2HB LEU 14 2.644 0.052 7.726 110 HB3 LEU 14 1HB LEU 14 0.922 0.365 7.789 111 HG LEU 14 HG LEU 14 1.726 -2.458 7.367 112 HD11 LEU 14 1HD1 LEU 14 2.166 -2.794 9.746 113 HD12 LEU 14 2HD1 LEU 14 2.066 -1.054 10.016 114 HD13 LEU 14 3HD1 LEU 14 3.362 -1.719 9.022 115 HD21 LEU 14 3HD2 LEU 14 -0.309 -1.094 9.134 116 HD22 LEU 14 1HD2 LEU 14 -0.151 -2.834 8.898 117 HD23 LEU 14 2HD2 LEU 14 -0.622 -1.800 7.548 118 H VAL 15 H VAL 15 1.230 -2.104 4.193 119 HA VAL 15 HA VAL 15 -1.693 -1.918 4.353 120 HB VAL 15 HB VAL 15 -1.621 -3.536 2.370 121 HG11 VAL 15 1HG1 VAL 15 -1.244 -1.725 0.763 122 HG12 VAL 15 2HG1 VAL 15 -0.512 -0.753 2.039 123 HG13 VAL 15 3HG1 VAL 15 -2.216 -1.198 2.137 124 HG21 VAL 15 3HG2 VAL 15 0.425 -3.481 1.005 125 HG22 VAL 15 1HG2 VAL 15 0.694 -4.263 2.564 126 HG23 VAL 15 2HG2 VAL 15 1.253 -2.612 2.298 127 H GLU 16 H GLU 16 -2.461 -3.122 5.941 128 HA GLU 16 HA GLU 16 -1.083 -5.593 6.634 129 HB2 GLU 16 2HB GLU 16 -1.642 -4.083 8.460 130 HB3 GLU 16 1HB GLU 16 -3.343 -4.147 8.016 131 HG2 GLU 16 2HG GLU 16 -3.436 -6.495 8.583 132 HG3 GLU 16 1HG GLU 16 -1.708 -6.504 8.934 133 H ASN 17 H ASN 17 -1.635 -7.209 5.296 134 HA ASN 17 HA ASN 17 -4.381 -7.647 4.536 135 HB2 ASN 17 2HB ASN 17 -2.427 -8.359 3.116 136 HB3 ASN 17 1HB ASN 17 -2.052 -9.575 4.332 137 HD21 ASN 17 1HD2 ASN 17 -2.713 -9.976 1.566 138 HD22 ASN 17 2HD2 ASN 17 -4.135 -10.957 1.529 139 H LEU 18 H LEU 18 -5.846 -8.469 5.852 140 HA LEU 18 HA LEU 18 -5.173 -9.285 8.472 141 HB2 LEU 18 2HB LEU 18 -7.307 -8.176 7.748 142 HB3 LEU 18 1HB LEU 18 -7.804 -9.710 7.060 143 HG LEU 18 HG LEU 18 -7.715 -10.734 9.303 144 HD11 LEU 18 1HD1 LEU 18 -7.121 -7.927 10.234 145 HD12 LEU 18 2HD1 LEU 18 -6.010 -9.296 10.291 146 HD13 LEU 18 3HD1 LEU 18 -7.474 -9.306 11.275 147 HD21 LEU 18 3HD2 LEU 18 -9.396 -8.235 9.153 148 HD22 LEU 18 1HD2 LEU 18 -9.690 -9.622 10.201 149 HD23 LEU 18 2HD2 LEU 18 -9.808 -9.799 8.450 150 H ASN 19 H ASN 19 -5.517 -11.026 5.511 151 HA ASN 19 HA ASN 19 -5.354 -13.560 7.018 152 HB2 ASN 19 2HB ASN 19 -6.483 -13.068 4.255 153 HB3 ASN 19 1HB ASN 19 -6.277 -14.658 4.980 154 HD21 ASN 19 1HD2 ASN 19 -7.026 -13.615 7.652 155 HD22 ASN 19 2HD2 ASN 19 -8.745 -13.439 7.605 156 H GLY 20 H GLY 20 -3.392 -11.489 5.715 157 HA2 GLY 20 2HA GLY 20 -1.695 -13.557 4.469 158 HA3 GLY 20 1HA GLY 20 -1.853 -11.958 3.755 159 H SER 21 H SER 21 -0.467 -10.430 4.364 160 HA SER 21 HA SER 21 0.906 -10.715 6.931 161 HB2 SER 21 2HB SER 21 3.062 -10.054 5.698 162 HB3 SER 21 1HB SER 21 2.498 -11.714 5.497 163 HG SER 21 HG SER 21 1.399 -10.840 3.544 164 H SER 22 H SER 22 1.677 -8.792 7.822 165 HA SER 22 HA SER 22 0.529 -6.353 6.712 166 HB2 SER 22 2HB SER 22 0.359 -6.962 9.169 167 HB3 SER 22 1HB SER 22 2.095 -6.682 9.281 168 HG SER 22 HG SER 22 0.154 -4.778 8.452 169 H PHE 23 H PHE 23 1.707 -5.283 5.261 170 HA PHE 23 HA PHE 23 4.641 -5.392 5.504 171 HB2 PHE 23 2HB PHE 23 3.915 -6.945 3.767 172 HB3 PHE 23 1HB PHE 23 2.985 -5.674 2.986 173 HD1 PHE 23 HD1 PHE 23 6.486 -6.321 4.110 174 HD2 PHE 23 HD2 PHE 23 3.909 -4.665 1.161 175 HE1 PHE 23 HE1 PHE 23 8.440 -5.747 2.731 176 HE2 PHE 23 HE2 PHE 23 5.858 -4.088 -0.225 177 HZ PHE 23 HZ PHE 23 8.127 -4.629 0.559 178 H GLU 24 H GLU 24 5.677 -3.505 5.307 179 HA GLU 24 HA GLU 24 4.132 -1.107 4.741 180 HB2 GLU 24 2HB GLU 24 7.049 -1.396 5.493 181 HB3 GLU 24 1HB GLU 24 6.139 0.107 5.435 182 HG2 GLU 24 2HG GLU 24 4.713 -0.678 7.248 183 HG3 GLU 24 1HG GLU 24 5.607 -2.197 7.296 184 H LEU 25 H LEU 25 3.733 -1.201 2.556 185 HA LEU 25 HA LEU 25 5.731 -1.993 0.677 186 HB2 LEU 25 2HB LEU 25 3.069 -2.017 0.596 187 HB3 LEU 25 1HB LEU 25 3.329 -0.473 -0.192 188 HG LEU 25 HG LEU 25 4.565 -3.068 -1.118 189 HD11 LEU 25 1HD1 LEU 25 2.154 -3.186 -1.308 190 HD12 LEU 25 2HD1 LEU 25 2.898 -3.027 -2.898 191 HD13 LEU 25 3HD1 LEU 25 2.127 -1.632 -2.144 192 HD21 LEU 25 3HD2 LEU 25 5.795 -1.065 -1.802 193 HD22 LEU 25 1HD2 LEU 25 4.317 -0.391 -2.486 194 HD23 LEU 25 2HD2 LEU 25 5.021 -1.853 -3.176 195 H GLU 26 H GLU 26 7.184 -0.810 -0.304 196 HA GLU 26 HA GLU 26 7.316 2.027 0.334 197 HB2 GLU 26 2HB GLU 26 9.245 0.543 0.791 198 HB3 GLU 26 1HB GLU 26 9.365 0.202 -0.928 199 HG2 GLU 26 2HG GLU 26 9.965 2.456 -1.404 200 HG3 GLU 26 1HG GLU 26 9.627 2.950 0.256 201 H VAL 27 H VAL 27 6.180 3.218 -1.051 202 HA VAL 27 HA VAL 27 6.546 2.724 -3.937 203 HB VAL 27 HB VAL 27 4.401 3.874 -4.305 204 HG11 VAL 27 1HG1 VAL 27 4.441 1.448 -4.147 205 HG12 VAL 27 2HG1 VAL 27 2.936 2.097 -3.494 206 HG13 VAL 27 3HG1 VAL 27 4.208 1.548 -2.401 207 HG21 VAL 27 3HG2 VAL 27 2.897 4.319 -2.423 208 HG22 VAL 27 1HG2 VAL 27 4.370 5.285 -2.324 209 HG23 VAL 27 2HG2 VAL 27 4.177 3.864 -1.298 210 H ASP 28 H ASP 28 5.990 4.851 -5.177 211 HA ASP 28 HA ASP 28 7.467 7.068 -3.923 212 HB2 ASP 28 2HB ASP 28 8.357 5.912 -6.070 213 HB3 ASP 28 1HB ASP 28 7.029 6.721 -6.891 214 H TYR 29 H TYR 29 6.697 9.250 -4.940 215 HA TYR 29 HA TYR 29 3.851 9.430 -4.471 216 HB2 TYR 29 2HB TYR 29 5.926 11.510 -5.196 217 HB3 TYR 29 1HB TYR 29 4.231 11.881 -4.901 218 HD1 TYR 29 HD2 TYR 29 7.383 10.782 -3.354 219 HD2 TYR 29 HD1 TYR 29 3.339 11.912 -2.672 220 HE1 TYR 29 HE2 TYR 29 7.851 10.991 -0.950 221 HE2 TYR 29 HE1 TYR 29 3.800 12.124 -0.268 222 HH TYR 29 HH TYR 29 5.480 11.135 1.363 223 H ARG 30 H ARG 30 5.925 9.014 -7.115 224 HA ARG 30 HA ARG 30 4.255 10.265 -9.103 225 HB2 ARG 30 2HB ARG 30 5.901 9.491 -10.685 226 HB3 ARG 30 1HB ARG 30 6.734 10.139 -9.278 227 HG2 ARG 30 2HG ARG 30 6.828 7.708 -8.462 228 HG3 ARG 30 1HG ARG 30 6.423 7.285 -10.127 229 HD2 ARG 30 2HD ARG 30 8.821 8.829 -9.161 230 HD3 ARG 30 1HD ARG 30 8.806 7.219 -9.874 231 HE ARG 30 HE ARG 30 7.771 9.359 -11.551 232 HH11 ARG 30 1HH1 ARG 30 10.474 7.322 -10.678 233 HH12 ARG 30 2HH1 ARG 30 11.378 7.663 -12.125 234 HH21 ARG 30 1HH2 ARG 30 8.953 9.849 -13.444 235 HH22 ARG 30 2HH2 ARG 30 10.522 9.143 -13.689 236 H ASP 31 H ASP 31 4.301 7.262 -7.524 237 HA ASP 31 HA ASP 31 3.175 5.717 -9.689 238 HB2 ASP 31 2HB ASP 31 3.652 5.131 -6.765 239 HB3 ASP 31 1HB ASP 31 2.781 4.014 -7.807 240 H THR 32 H THR 32 1.048 5.150 -9.969 241 HA THR 32 HA THR 32 -0.906 6.685 -8.462 242 HB THR 32 HB THR 32 -2.555 5.729 -10.090 243 HG1 THR 32 HG1 THR 32 -0.739 4.959 -11.947 244 HG21 THR 32 3HG2 THR 32 -1.826 7.068 -11.993 245 HG22 THR 32 1HG2 THR 32 -0.188 7.125 -11.341 246 HG23 THR 32 2HG2 THR 32 -1.508 7.916 -10.479 247 H LEU 33 H LEU 33 -2.924 5.538 -7.775 248 HA LEU 33 HA LEU 33 -2.273 3.417 -6.027 249 HB2 LEU 33 2HB LEU 33 -4.970 4.425 -6.932 250 HB3 LEU 33 1HB LEU 33 -4.709 3.321 -5.593 251 HG LEU 33 HG LEU 33 -3.675 6.155 -5.741 252 HD11 LEU 33 1HD1 LEU 33 -6.082 6.102 -5.474 253 HD12 LEU 33 2HD1 LEU 33 -5.311 6.597 -3.965 254 HD13 LEU 33 3HD1 LEU 33 -5.930 4.955 -4.144 255 HD21 LEU 33 3HD2 LEU 33 -3.553 4.108 -3.529 256 HD22 LEU 33 1HD2 LEU 33 -3.102 5.807 -3.368 257 HD23 LEU 33 2HD2 LEU 33 -2.190 4.750 -4.446 258 H LEU 34 H LEU 34 -3.486 3.509 -9.287 259 HA LEU 34 HA LEU 34 -4.318 0.815 -9.479 260 HB2 LEU 34 2HB LEU 34 -4.875 2.533 -11.149 261 HB3 LEU 34 1HB LEU 34 -3.187 2.632 -11.613 262 HG LEU 34 HG LEU 34 -3.286 0.277 -12.385 263 HD11 LEU 34 1HD1 LEU 34 -5.470 -0.801 -12.647 264 HD12 LEU 34 2HD1 LEU 34 -6.227 0.529 -11.769 265 HD13 LEU 34 3HD1 LEU 34 -5.076 -0.527 -10.951 266 HD21 LEU 34 3HD2 LEU 34 -3.613 2.081 -13.972 267 HD22 LEU 34 1HD2 LEU 34 -5.333 2.135 -13.589 268 HD23 LEU 34 2HD2 LEU 34 -4.651 0.716 -14.382 269 H VAL 35 H VAL 35 -1.193 2.404 -9.836 270 HA VAL 35 HA VAL 35 0.191 0.124 -10.814 271 HB VAL 35 HB VAL 35 1.252 2.594 -9.427 272 HG11 VAL 35 1HG1 VAL 35 3.429 1.971 -10.345 273 HG12 VAL 35 2HG1 VAL 35 2.740 0.471 -10.967 274 HG13 VAL 35 3HG1 VAL 35 2.830 0.747 -9.227 275 HG21 VAL 35 3HG2 VAL 35 0.128 3.071 -11.534 276 HG22 VAL 35 1HG2 VAL 35 1.112 1.854 -12.348 277 HG23 VAL 35 2HG2 VAL 35 1.870 3.303 -11.689 278 H VAL 36 H VAL 36 -0.318 1.459 -7.558 279 HA VAL 36 HA VAL 36 1.437 -0.405 -6.316 280 HB VAL 36 HB VAL 36 0.838 1.752 -5.255 281 HG11 VAL 36 1HG1 VAL 36 -1.243 2.040 -4.088 282 HG12 VAL 36 2HG1 VAL 36 -1.799 0.451 -4.615 283 HG13 VAL 36 3HG1 VAL 36 -1.562 1.739 -5.797 284 HG21 VAL 36 3HG2 VAL 36 0.253 -0.721 -3.636 285 HG22 VAL 36 1HG2 VAL 36 0.617 0.868 -2.963 286 HG23 VAL 36 2HG2 VAL 36 1.831 0.015 -3.916 287 H LYS 37 H LYS 37 -1.913 -0.530 -7.274 288 HA LYS 37 HA LYS 37 -2.693 -2.800 -5.793 289 HB2 LYS 37 2HB LYS 37 -3.592 -1.781 -8.494 290 HB3 LYS 37 1HB LYS 37 -4.342 -3.148 -7.681 291 HG2 LYS 37 2HG LYS 37 -4.153 -0.384 -6.502 292 HG3 LYS 37 1HG LYS 37 -5.548 -0.989 -7.395 293 HD2 LYS 37 2HD LYS 37 -4.438 -2.378 -4.968 294 HD3 LYS 37 1HD LYS 37 -5.682 -1.132 -4.869 295 HE2 LYS 37 2HE LYS 37 -5.919 -3.656 -6.500 296 HE3 LYS 37 1HE LYS 37 -6.578 -3.453 -4.877 297 HZ1 LYS 37 3HZ LYS 37 -7.312 -1.765 -7.220 298 HZ2 LYS 37 1HZ LYS 37 -8.002 -1.709 -5.673 299 HZ3 LYS 37 2HZ LYS 37 -8.230 -3.071 -6.647 300 H GLN 38 H GLN 38 -0.915 -2.398 -8.783 301 HA GLN 38 HA GLN 38 -0.812 -5.165 -9.462 302 HB2 GLN 38 2HB GLN 38 0.943 -2.849 -10.294 303 HB3 GLN 38 1HB GLN 38 1.023 -4.458 -10.997 304 HG2 GLN 38 2HG GLN 38 -1.239 -4.246 -11.822 305 HG3 GLN 38 1HG GLN 38 -1.393 -2.670 -11.047 306 HE21 GLN 38 1HE2 GLN 38 -1.580 -3.502 -13.876 307 HE22 GLN 38 2HE2 GLN 38 -0.436 -2.516 -14.724 308 H LYS 39 H LYS 39 1.073 -3.053 -7.437 309 HA LYS 39 HA LYS 39 3.329 -4.756 -7.114 310 HB2 LYS 39 2HB LYS 39 2.275 -2.667 -5.191 311 HB3 LYS 39 1HB LYS 39 3.895 -3.342 -5.212 312 HG2 LYS 39 2HG LYS 39 4.383 -2.249 -7.296 313 HG3 LYS 39 1HG LYS 39 2.714 -1.690 -7.436 314 HD2 LYS 39 2HD LYS 39 3.064 -0.480 -5.249 315 HD3 LYS 39 1HD LYS 39 4.775 -0.865 -5.402 316 HE2 LYS 39 2HE LYS 39 3.249 0.580 -7.550 317 HE3 LYS 39 1HE LYS 39 4.019 1.426 -6.210 318 HZ1 LYS 39 3HZ LYS 39 6.144 0.486 -6.895 319 HZ2 LYS 39 1HZ LYS 39 5.436 1.386 -8.149 320 HZ3 LYS 39 2HZ LYS 39 5.393 -0.310 -8.195 321 H ILE 40 H ILE 40 0.466 -4.116 -5.101 322 HA ILE 40 HA ILE 40 1.132 -5.998 -3.083 323 HB ILE 40 HB ILE 40 -1.632 -4.955 -3.718 324 HG12 ILE 40 2HG1 ILE 40 0.454 -3.735 -1.896 325 HG13 ILE 40 1HG1 ILE 40 0.024 -3.112 -3.486 326 HG21 ILE 40 1HG2 ILE 40 -1.594 -6.812 -2.159 327 HG22 ILE 40 2HG2 ILE 40 -2.014 -5.321 -1.317 328 HG23 ILE 40 3HG2 ILE 40 -0.388 -5.988 -1.171 329 HD11 ILE 40 3HD1 ILE 40 -1.057 -1.844 -1.731 330 HD12 ILE 40 1HD1 ILE 40 -1.808 -3.313 -1.106 331 HD13 ILE 40 2HD1 ILE 40 -2.254 -2.705 -2.702 332 H GLU 41 H GLU 41 -0.720 -6.182 -6.045 333 HA GLU 41 HA GLU 41 -2.252 -8.435 -5.633 334 HB2 GLU 41 2HB GLU 41 -2.496 -7.066 -7.609 335 HB3 GLU 41 1HB GLU 41 -0.889 -7.507 -8.164 336 HG2 GLU 41 2HG GLU 41 -1.589 -9.781 -8.532 337 HG3 GLU 41 1HG GLU 41 -3.172 -9.440 -7.837 338 H ARG 42 H ARG 42 1.105 -8.270 -6.740 339 HA ARG 42 HA ARG 42 1.271 -11.155 -6.879 340 HB2 ARG 42 2HB ARG 42 2.413 -9.798 -8.557 341 HB3 ARG 42 1HB ARG 42 3.375 -9.025 -7.305 342 HG2 ARG 42 2HG ARG 42 4.542 -11.045 -6.845 343 HG3 ARG 42 1HG ARG 42 3.441 -11.982 -7.854 344 HD2 ARG 42 2HD ARG 42 5.647 -11.493 -8.912 345 HD3 ARG 42 1HD ARG 42 4.253 -10.937 -9.838 346 HE ARG 42 HE ARG 42 4.754 -8.688 -9.148 347 HH11 ARG 42 1HH1 ARG 42 7.210 -11.050 -8.349 348 HH12 ARG 42 2HH1 ARG 42 8.495 -9.876 -8.285 349 HH21 ARG 42 1HH2 ARG 42 6.417 -7.148 -9.061 350 HH22 ARG 42 2HH2 ARG 42 8.037 -7.636 -8.668 351 H SER 43 H SER 43 2.024 -8.638 -4.634 352 HA SER 43 HA SER 43 3.929 -10.100 -3.091 353 HB2 SER 43 2HB SER 43 3.921 -7.670 -3.007 354 HB3 SER 43 1HB SER 43 2.263 -7.660 -2.410 355 HG SER 43 HG SER 43 4.651 -8.321 -1.085 356 H GLN 44 H GLN 44 0.477 -9.340 -2.634 357 HA GLN 44 HA GLN 44 0.381 -11.230 -0.402 358 HB2 GLN 44 2HB GLN 44 -1.695 -9.279 -1.417 359 HB3 GLN 44 1HB GLN 44 -1.862 -10.292 0.012 360 HG2 GLN 44 2HG GLN 44 0.249 -8.182 -0.378 361 HG3 GLN 44 1HG GLN 44 -1.235 -7.975 0.547 362 HE21 GLN 44 1HE2 GLN 44 1.612 -7.845 1.333 363 HE22 GLN 44 2HE2 GLN 44 1.779 -8.964 2.643 364 H HIS 45 H HIS 45 0.071 -11.343 -3.641 365 HA HIS 45 HA HIS 45 -0.569 -12.973 -5.073 366 HB2 HIS 45 2HB HIS 45 -1.232 -14.535 -2.570 367 HB3 HIS 45 1HB HIS 45 -1.110 -15.205 -4.192 368 HD1 HIS 45 HD1 HIS 45 1.436 -14.536 -5.303 369 HD2 HIS 45 HD2 HIS 45 1.030 -14.937 -1.181 370 HE1 HIS 45 HE1 HIS 45 3.758 -14.966 -4.427 371 HE2 HIS 45 HE2 HIS 45 3.441 -15.445 -1.969 372 H ILE 46 H ILE 46 -2.518 -10.976 -3.974 373 HA ILE 46 HA ILE 46 -4.954 -12.423 -4.753 374 HB ILE 46 HB ILE 46 -6.231 -10.694 -3.436 375 HG12 ILE 46 2HG1 ILE 46 -3.511 -10.186 -2.197 376 HG13 ILE 46 1HG1 ILE 46 -4.393 -9.047 -3.210 377 HG21 ILE 46 1HG2 ILE 46 -4.408 -12.553 -1.917 378 HG22 ILE 46 2HG2 ILE 46 -5.956 -12.973 -2.650 379 HG23 ILE 46 3HG2 ILE 46 -5.899 -11.845 -1.295 380 HD11 ILE 46 3HD1 ILE 46 -6.158 -8.916 -1.549 381 HD12 ILE 46 1HD1 ILE 46 -4.595 -8.511 -0.842 382 HD13 ILE 46 2HD1 ILE 46 -5.314 -10.093 -0.542 383 HA PRO 47 HA PRO 47 -4.832 -9.848 -8.405 384 HB2 PRO 47 2HB PRO 47 -7.721 -10.593 -8.236 385 HB3 PRO 47 1HB PRO 47 -6.631 -10.622 -9.628 386 HG2 PRO 47 2HG PRO 47 -7.259 -12.870 -8.353 387 HG3 PRO 47 1HG PRO 47 -5.614 -12.598 -8.957 388 HD2 PRO 47 2HD PRO 47 -6.651 -12.509 -6.175 389 HD3 PRO 47 1HD PRO 47 -5.043 -12.966 -6.766 390 H VAL 48 H VAL 48 -5.591 -7.879 -9.082 391 HA VAL 48 HA VAL 48 -6.010 -5.870 -7.284 392 HB VAL 48 HB VAL 48 -6.912 -5.989 -10.164 393 HG11 VAL 48 1HG1 VAL 48 -6.933 -3.564 -10.142 394 HG12 VAL 48 2HG1 VAL 48 -6.500 -3.553 -8.433 395 HG13 VAL 48 3HG1 VAL 48 -8.064 -4.188 -8.944 396 HG21 VAL 48 3HG2 VAL 48 -4.523 -6.366 -9.838 397 HG22 VAL 48 1HG2 VAL 48 -4.408 -4.876 -8.901 398 HG23 VAL 48 2HG2 VAL 48 -4.819 -4.811 -10.615 399 H SER 49 H SER 49 -8.542 -7.750 -8.913 400 HA SER 49 HA SER 49 -10.685 -6.105 -8.061 401 HB2 SER 49 2HB SER 49 -10.750 -9.006 -8.914 402 HB3 SER 49 1HB SER 49 -12.127 -7.904 -8.852 403 HG SER 49 HG SER 49 -9.993 -8.012 -10.662 404 H LYS 50 H LYS 50 -8.869 -8.526 -6.412 405 HA LYS 50 HA LYS 50 -11.056 -9.059 -4.533 406 HB2 LYS 50 2HB LYS 50 -8.294 -10.288 -4.547 407 HB3 LYS 50 1HB LYS 50 -9.716 -10.864 -3.687 408 HG2 LYS 50 2HG LYS 50 -10.795 -11.308 -5.873 409 HG3 LYS 50 1HG LYS 50 -9.286 -10.852 -6.666 410 HD2 LYS 50 2HD LYS 50 -9.252 -13.209 -6.523 411 HD3 LYS 50 1HD LYS 50 -8.171 -12.634 -5.254 412 HE2 LYS 50 2HE LYS 50 -9.565 -14.433 -4.423 413 HE3 LYS 50 1HE LYS 50 -9.955 -12.920 -3.608 414 HZ1 LYS 50 3HZ LYS 50 -11.929 -14.194 -4.241 415 HZ2 LYS 50 1HZ LYS 50 -11.488 -14.071 -5.876 416 HZ3 LYS 50 2HZ LYS 50 -11.891 -12.675 -4.993 417 H GLN 51 H GLN 51 -8.550 -6.938 -4.927 418 HA GLN 51 HA GLN 51 -7.735 -6.753 -2.156 419 HB2 GLN 51 2HB GLN 51 -6.995 -5.275 -4.664 420 HB3 GLN 51 1HB GLN 51 -6.471 -4.716 -3.083 421 HG2 GLN 51 2HG GLN 51 -5.273 -6.771 -2.710 422 HG3 GLN 51 1HG GLN 51 -5.888 -7.436 -4.222 423 HE21 GLN 51 1HE2 GLN 51 -4.960 -6.829 -6.137 424 HE22 GLN 51 2HE2 GLN 51 -3.528 -5.865 -6.234 425 H THR 52 H THR 52 -9.413 -6.048 -0.931 426 HA THR 52 HA THR 52 -10.912 -3.696 -1.715 427 HB THR 52 HB THR 52 -11.016 -5.101 0.950 428 HG1 THR 52 HG1 THR 52 -11.575 -6.743 -0.332 429 HG21 THR 52 3HG2 THR 52 -13.336 -4.254 0.957 430 HG22 THR 52 1HG2 THR 52 -13.023 -3.440 -0.575 431 HG23 THR 52 2HG2 THR 52 -12.147 -2.954 0.876 432 H LEU 53 H LEU 53 -9.766 -1.854 -1.591 433 HA LEU 53 HA LEU 53 -7.711 -1.463 0.376 434 HB2 LEU 53 2HB LEU 53 -8.895 0.465 -1.622 435 HB3 LEU 53 1HB LEU 53 -7.472 0.769 -0.645 436 HG LEU 53 HG LEU 53 -7.727 -1.356 -2.773 437 HD11 LEU 53 1HD1 LEU 53 -6.149 0.013 -4.022 438 HD12 LEU 53 2HD1 LEU 53 -6.165 1.223 -2.739 439 HD13 LEU 53 3HD1 LEU 53 -7.627 0.913 -3.677 440 HD21 LEU 53 3HD2 LEU 53 -6.244 -2.074 -0.986 441 HD22 LEU 53 1HD2 LEU 53 -5.368 -0.546 -1.076 442 HD23 LEU 53 2HD2 LEU 53 -5.317 -1.673 -2.431 443 H ILE 54 H ILE 54 -8.711 -1.485 2.383 444 HA ILE 54 HA ILE 54 -10.665 0.632 2.920 445 HB ILE 54 HB ILE 54 -9.688 -1.558 4.766 446 HG12 ILE 54 2HG1 ILE 54 -12.277 -1.336 3.210 447 HG13 ILE 54 1HG1 ILE 54 -10.952 -2.428 2.824 448 HG21 ILE 54 1HG2 ILE 54 -10.475 0.400 5.973 449 HG22 ILE 54 2HG2 ILE 54 -11.626 -0.924 6.146 450 HG23 ILE 54 3HG2 ILE 54 -11.969 0.402 5.035 451 HD11 ILE 54 3HD1 ILE 54 -12.635 -2.485 5.317 452 HD12 ILE 54 1HD1 ILE 54 -11.284 -3.564 4.968 453 HD13 ILE 54 2HD1 ILE 54 -12.729 -3.605 3.956 454 H VAL 55 H VAL 55 -9.563 2.507 3.076 455 HA VAL 55 HA VAL 55 -7.125 2.572 4.700 456 HB VAL 55 HB VAL 55 -8.324 4.730 2.948 457 HG11 VAL 55 1HG1 VAL 55 -7.010 5.647 4.812 458 HG12 VAL 55 2HG1 VAL 55 -6.209 5.908 3.262 459 HG13 VAL 55 3HG1 VAL 55 -5.648 4.632 4.342 460 HG21 VAL 55 3HG2 VAL 55 -7.504 2.845 1.648 461 HG22 VAL 55 1HG2 VAL 55 -5.963 2.903 2.505 462 HG23 VAL 55 2HG2 VAL 55 -6.437 4.235 1.452 463 H ASP 56 H ASP 56 -7.815 2.498 6.746 464 HA ASP 56 HA ASP 56 -8.418 3.305 8.765 465 HB2 ASP 56 2HB ASP 56 -7.489 5.458 8.039 466 HB3 ASP 56 1HB ASP 56 -9.037 5.886 7.318 467 H GLY 57 H GLY 57 -10.779 4.812 6.541 468 HA2 GLY 57 2HA GLY 57 -12.829 3.004 7.529 469 HA3 GLY 57 1HA GLY 57 -13.060 4.695 7.950 470 H ILE 58 H ILE 58 -11.470 4.297 4.982 471 HA ILE 58 HA ILE 58 -14.004 4.628 3.524 472 HB ILE 58 HB ILE 58 -11.451 6.173 3.010 473 HG12 ILE 58 2HG1 ILE 58 -14.111 7.139 4.091 474 HG13 ILE 58 1HG1 ILE 58 -12.653 6.907 5.051 475 HG21 ILE 58 1HG2 ILE 58 -12.684 5.710 0.965 476 HG22 ILE 58 2HG2 ILE 58 -12.794 7.422 1.377 477 HG23 ILE 58 3HG2 ILE 58 -14.159 6.350 1.690 478 HD11 ILE 58 3HD1 ILE 58 -12.951 8.846 2.768 479 HD12 ILE 58 1HD1 ILE 58 -11.522 8.632 3.779 480 HD13 ILE 58 2HD1 ILE 58 -13.015 9.250 4.485 481 H VAL 59 H VAL 59 -14.191 3.389 1.738 482 HA VAL 59 HA VAL 59 -11.990 1.660 1.007 483 HB VAL 59 HB VAL 59 -14.189 0.655 1.122 484 HG11 VAL 59 1HG1 VAL 59 -14.996 2.600 -1.038 485 HG12 VAL 59 2HG1 VAL 59 -15.585 2.565 0.624 486 HG13 VAL 59 3HG1 VAL 59 -15.970 1.241 -0.474 487 HG21 VAL 59 3HG2 VAL 59 -12.611 -0.259 -0.493 488 HG22 VAL 59 1HG2 VAL 59 -13.228 0.834 -1.732 489 HG23 VAL 59 2HG2 VAL 59 -14.270 -0.425 -1.067 490 H ILE 60 H ILE 60 -10.615 2.014 -0.600 491 HA ILE 60 HA ILE 60 -11.020 4.409 -2.221 492 HB ILE 60 HB ILE 60 -8.555 2.689 -1.913 493 HG12 ILE 60 2HG1 ILE 60 -9.132 3.823 0.170 494 HG13 ILE 60 1HG1 ILE 60 -7.702 4.559 -0.544 495 HG21 ILE 60 1HG2 ILE 60 -8.573 3.840 -4.050 496 HG22 ILE 60 2HG2 ILE 60 -7.376 4.565 -2.976 497 HG23 ILE 60 3HG2 ILE 60 -8.922 5.370 -3.245 498 HD11 ILE 60 3HD1 ILE 60 -9.210 6.233 0.363 499 HD12 ILE 60 1HD1 ILE 60 -10.501 5.651 -0.689 500 HD13 ILE 60 2HD1 ILE 60 -9.063 6.397 -1.387 501 H LEU 61 H LEU 61 -12.072 4.117 -4.052 502 HA LEU 61 HA LEU 61 -11.408 1.757 -5.693 503 HB2 LEU 61 2HB LEU 61 -13.884 3.488 -5.709 504 HB3 LEU 61 1HB LEU 61 -13.578 2.176 -6.830 505 HG LEU 61 HG LEU 61 -13.880 1.866 -3.841 506 HD11 LEU 61 1HD1 LEU 61 -16.014 0.804 -4.392 507 HD12 LEU 61 2HD1 LEU 61 -15.779 1.219 -6.090 508 HD13 LEU 61 3HD1 LEU 61 -15.978 2.495 -4.888 509 HD21 LEU 61 3HD2 LEU 61 -13.633 -0.186 -6.040 510 HD22 LEU 61 1HD2 LEU 61 -13.950 -0.532 -4.341 511 HD23 LEU 61 2HD2 LEU 61 -12.413 0.185 -4.821 512 H ARG 62 H ARG 62 -10.633 4.891 -5.357 513 HA ARG 62 HA ARG 62 -10.622 5.545 -8.202 514 HB2 ARG 62 2HB ARG 62 -9.814 7.177 -5.787 515 HB3 ARG 62 1HB ARG 62 -9.742 7.753 -7.447 516 HG2 ARG 62 2HG ARG 62 -12.218 6.932 -5.942 517 HG3 ARG 62 1HG ARG 62 -11.744 8.577 -6.374 518 HD2 ARG 62 2HD ARG 62 -11.943 8.048 -8.727 519 HD3 ARG 62 1HD ARG 62 -12.307 6.367 -8.345 520 HE ARG 62 HE ARG 62 -14.071 8.668 -7.779 521 HH11 ARG 62 1HH1 ARG 62 -13.553 5.257 -8.322 522 HH12 ARG 62 2HH1 ARG 62 -15.240 4.865 -8.399 523 HH21 ARG 62 1HH2 ARG 62 -16.307 8.184 -7.866 524 HH22 ARG 62 2HH2 ARG 62 -16.818 6.542 -8.133 525 H GLU 63 H GLU 63 -9.116 4.041 -8.926 526 HA GLU 63 HA GLU 63 -6.509 3.874 -7.685 527 HB2 GLU 63 2HB GLU 63 -7.552 2.551 -10.194 528 HB3 GLU 63 1HB GLU 63 -6.081 2.121 -9.329 529 HG2 GLU 63 2HG GLU 63 -7.372 1.416 -7.414 530 HG3 GLU 63 1HG GLU 63 -8.863 1.941 -8.193 531 H ASP 64 H ASP 64 -7.928 5.884 -9.911 532 HA ASP 64 HA ASP 64 -5.719 6.179 -11.736 533 HB2 ASP 64 2HB ASP 64 -7.064 7.964 -12.729 534 HB3 ASP 64 1HB ASP 64 -8.041 6.521 -12.478 535 H LEU 65 H LEU 65 -6.296 7.200 -8.633 536 HA LEU 65 HA LEU 65 -5.063 9.809 -8.896 537 HB2 LEU 65 2HB LEU 65 -5.996 8.276 -6.470 538 HB3 LEU 65 1HB LEU 65 -5.337 9.899 -6.425 539 HG LEU 65 HG LEU 65 -7.888 9.069 -7.811 540 HD11 LEU 65 1HD1 LEU 65 -8.996 10.364 -6.083 541 HD12 LEU 65 2HD1 LEU 65 -7.442 10.733 -5.336 542 HD13 LEU 65 3HD1 LEU 65 -8.035 9.072 -5.363 543 HD21 LEU 65 3HD2 LEU 65 -6.668 11.810 -7.475 544 HD22 LEU 65 1HD2 LEU 65 -8.223 11.441 -8.218 545 HD23 LEU 65 2HD2 LEU 65 -6.731 10.894 -8.981 546 H THR 66 H THR 66 -3.086 10.391 -8.044 547 HA THR 66 HA THR 66 -1.123 8.285 -7.819 548 HB THR 66 HB THR 66 0.209 10.606 -7.235 549 HG1 THR 66 HG1 THR 66 -1.795 11.278 -9.155 550 HG21 THR 66 3HG2 THR 66 0.886 10.605 -9.595 551 HG22 THR 66 1HG2 THR 66 -0.454 9.522 -9.974 552 HG23 THR 66 2HG2 THR 66 0.857 8.971 -8.931 553 H VAL 67 H VAL 67 0.334 8.105 -6.007 554 HA VAL 67 HA VAL 67 -0.927 7.831 -3.558 555 HB VAL 67 HB VAL 67 2.033 8.219 -4.053 556 HG11 VAL 67 1HG1 VAL 67 0.615 6.987 -1.689 557 HG12 VAL 67 2HG1 VAL 67 1.470 8.530 -1.694 558 HG13 VAL 67 3HG1 VAL 67 2.360 7.026 -1.938 559 HG21 VAL 67 3HG2 VAL 67 1.062 6.375 -5.345 560 HG22 VAL 67 1HG2 VAL 67 0.394 5.689 -3.864 561 HG23 VAL 67 2HG2 VAL 67 2.142 5.780 -4.084 562 H GLU 68 H GLU 68 0.987 10.553 -4.752 563 HA GLU 68 HA GLU 68 1.085 12.009 -2.349 564 HB2 GLU 68 2HB GLU 68 2.510 12.480 -4.328 565 HB3 GLU 68 1HB GLU 68 1.095 13.101 -5.168 566 HG2 GLU 68 2HG GLU 68 0.849 14.802 -3.378 567 HG3 GLU 68 1HG GLU 68 2.363 14.227 -2.686 568 H GLN 69 H GLN 69 -1.134 12.278 -5.120 569 HA GLN 69 HA GLN 69 -2.660 14.360 -3.902 570 HB2 GLN 69 2HB GLN 69 -3.220 12.644 -6.321 571 HB3 GLN 69 1HB GLN 69 -4.211 14.009 -5.824 572 HG2 GLN 69 2HG GLN 69 -2.258 15.486 -6.066 573 HG3 GLN 69 1HG GLN 69 -1.312 14.111 -6.629 574 HE21 GLN 69 1HE2 GLN 69 -1.705 13.259 -8.662 575 HE22 GLN 69 2HE2 GLN 69 -2.614 14.117 -9.867 576 H CYS 70 H CYS 70 -2.620 11.010 -3.501 577 HA CYS 70 HA CYS 70 -5.363 10.685 -2.744 578 HB2 CYS 70 2HB CYS 70 -3.954 8.787 -3.500 579 HB3 CYS 70 1HB CYS 70 -2.963 8.966 -2.055 580 HG CYS 70 HG CYS 70 -5.593 8.641 -0.559 581 H GLN 71 H GLN 71 -2.538 11.944 -1.278 582 HA GLN 71 HA GLN 71 -2.141 12.954 0.717 583 HB2 GLN 71 2HB GLN 71 -5.158 12.880 0.928 584 HB3 GLN 71 1HB GLN 71 -4.099 13.818 1.972 585 HG2 GLN 71 2HG GLN 71 -4.240 14.172 -1.015 586 HG3 GLN 71 1HG GLN 71 -5.195 15.106 0.134 587 HE21 GLN 71 1HE2 GLN 71 -1.985 14.516 -1.125 588 HE22 GLN 71 2HE2 GLN 71 -1.263 15.934 -0.441 589 H ILE 72 H ILE 72 -1.860 10.206 0.684 590 HA ILE 72 HA ILE 72 -3.192 8.900 2.814 591 HB ILE 72 HB ILE 72 -0.522 8.213 1.567 592 HG12 ILE 72 2HG1 ILE 72 -3.300 7.199 0.922 593 HG13 ILE 72 1HG1 ILE 72 -2.371 8.314 -0.071 594 HG21 ILE 72 1HG2 ILE 72 -2.422 6.542 3.214 595 HG22 ILE 72 2HG2 ILE 72 -0.836 7.124 3.720 596 HG23 ILE 72 3HG2 ILE 72 -0.968 5.946 2.413 597 HD11 ILE 72 3HD1 ILE 72 -2.293 6.051 -0.951 598 HD12 ILE 72 1HD1 ILE 72 -1.604 5.474 0.567 599 HD13 ILE 72 2HD1 ILE 72 -0.693 6.593 -0.448 600 H VAL 73 H VAL 73 -3.046 9.575 4.841 601 HA VAL 73 HA VAL 73 -0.547 10.649 5.878 602 HB VAL 73 HB VAL 73 -1.837 11.047 7.972 603 HG11 VAL 73 1HG1 VAL 73 -1.666 12.800 6.318 604 HG12 VAL 73 2HG1 VAL 73 -3.272 12.827 7.047 605 HG13 VAL 73 3HG1 VAL 73 -3.046 12.141 5.438 606 HG21 VAL 73 3HG2 VAL 73 -4.262 10.777 7.961 607 HG22 VAL 73 1HG2 VAL 73 -3.454 9.224 7.754 608 HG23 VAL 73 2HG2 VAL 73 -4.181 10.032 6.365 609 HA PRO 74 HA PRO 74 0.887 6.866 7.558 610 HB2 PRO 74 2HB PRO 74 2.240 7.768 9.755 611 HB3 PRO 74 1HB PRO 74 2.851 7.901 8.103 612 HG2 PRO 74 2HG PRO 74 1.487 9.957 9.791 613 HG3 PRO 74 1HG PRO 74 2.880 10.139 8.708 614 HD2 PRO 74 2HD PRO 74 0.392 10.903 7.992 615 HD3 PRO 74 1HD PRO 74 1.555 10.255 6.819 616 H THR 75 H THR 75 -1.279 8.845 9.289 617 HA THR 75 HA THR 75 -1.477 7.018 11.549 618 HB THR 75 HB THR 75 -3.211 8.748 12.309 619 HG1 THR 75 HG1 THR 75 -3.546 10.413 11.035 620 HG21 THR 75 3HG2 THR 75 -0.946 8.612 13.232 621 HG22 THR 75 1HG2 THR 75 -1.460 10.292 13.078 622 HG23 THR 75 2HG2 THR 75 -0.339 9.601 11.904 623 H SER 76 H SER 76 -2.526 6.697 8.604 624 HA SER 76 HA SER 76 -5.321 6.130 9.223 625 HB2 SER 76 2HB SER 76 -5.512 5.643 6.789 626 HB3 SER 76 1HB SER 76 -4.917 7.270 7.114 627 HG SER 76 HG SER 76 -2.897 6.666 6.499 628 H ASP 77 H ASP 77 -6.216 4.059 9.050 629 HA ASP 77 HA ASP 77 -4.280 1.895 9.404 630 HB2 ASP 77 2HB ASP 77 -5.980 2.120 11.148 631 HB3 ASP 77 1HB ASP 77 -7.257 1.981 9.943 632 H ILE 78 H ILE 78 -3.670 1.368 7.349 633 HA ILE 78 HA ILE 78 -5.730 0.876 5.354 634 HB ILE 78 HB ILE 78 -2.730 0.690 5.045 635 HG12 ILE 78 2HG1 ILE 78 -4.611 2.934 4.275 636 HG13 ILE 78 1HG1 ILE 78 -3.510 2.971 5.648 637 HG21 ILE 78 1HG2 ILE 78 -4.000 -0.611 3.398 638 HG22 ILE 78 2HG2 ILE 78 -3.189 0.767 2.653 639 HG23 ILE 78 3HG2 ILE 78 -4.921 0.833 2.977 640 HD11 ILE 78 3HD1 ILE 78 -2.716 2.778 2.751 641 HD12 ILE 78 1HD1 ILE 78 -1.611 2.815 4.125 642 HD13 ILE 78 2HD1 ILE 78 -2.620 4.215 3.768 643 H GLN 79 H GLN 79 -6.725 -0.988 5.837 644 HA GLN 79 HA GLN 79 -5.033 -3.366 6.200 645 HB2 GLN 79 2HB GLN 79 -6.489 -2.859 8.124 646 HB3 GLN 79 1HB GLN 79 -7.897 -2.939 7.074 647 HG2 GLN 79 2HG GLN 79 -7.541 -5.278 6.678 648 HG3 GLN 79 1HG GLN 79 -6.014 -5.234 7.557 649 HE21 GLN 79 1HE2 GLN 79 -6.019 -5.130 9.787 650 HE22 GLN 79 2HE2 GLN 79 -7.438 -5.463 10.725 651 H LEU 80 H LEU 80 -5.233 -5.031 4.842 652 HA LEU 80 HA LEU 80 -6.841 -4.589 2.455 653 HB2 LEU 80 2HB LEU 80 -4.727 -6.650 3.090 654 HB3 LEU 80 1HB LEU 80 -5.561 -6.524 1.555 655 HG LEU 80 HG LEU 80 -3.797 -4.377 2.736 656 HD11 LEU 80 1HD1 LEU 80 -2.485 -6.312 2.119 657 HD12 LEU 80 2HD1 LEU 80 -2.228 -5.016 0.951 658 HD13 LEU 80 3HD1 LEU 80 -3.273 -6.376 0.542 659 HD21 LEU 80 3HD2 LEU 80 -3.964 -3.381 0.493 660 HD22 LEU 80 1HD2 LEU 80 -5.531 -3.470 1.300 661 HD23 LEU 80 2HD2 LEU 80 -5.123 -4.631 0.038 662 H GLU 81 H GLU 81 -8.893 -5.174 2.808 663 HA GLU 81 HA GLU 81 -9.572 -7.601 4.209 664 HB2 GLU 81 2HB GLU 81 -11.065 -5.669 4.337 665 HB3 GLU 81 1HB GLU 81 -11.283 -5.700 2.596 666 HG2 GLU 81 2HG GLU 81 -12.249 -7.995 2.853 667 HG3 GLU 81 1HG GLU 81 -12.220 -7.731 4.595 668 H VAL 82 H VAL 82 -9.412 -9.527 3.318 669 HA VAL 82 HA VAL 82 -8.991 -9.838 0.501 670 HB VAL 82 HB VAL 82 -9.327 -11.963 2.623 671 HG11 VAL 82 1HG1 VAL 82 -8.134 -12.150 -0.141 672 HG12 VAL 82 2HG1 VAL 82 -9.705 -12.787 0.343 673 HG13 VAL 82 3HG1 VAL 82 -8.231 -13.452 1.046 674 HG21 VAL 82 3HG2 VAL 82 -6.818 -10.743 1.489 675 HG22 VAL 82 1HG2 VAL 82 -6.893 -12.074 2.644 676 HG23 VAL 82 2HG2 VAL 82 -7.461 -10.469 3.108 677 H SER 83 H SER 83 -10.704 -9.600 -0.789 678 HA SER 83 HA SER 83 -13.311 -10.567 -0.155 679 HB2 SER 83 2HB SER 83 -12.881 -8.730 -1.792 680 HB3 SER 83 1HB SER 83 -12.131 -9.905 -2.872 681 HG SER 83 HG SER 83 -14.826 -9.905 -1.958 682 H SER 84 H SER 84 -13.806 -12.655 -0.018 683 HA SER 84 HA SER 84 -12.013 -14.687 -0.823 684 HB2 SER 84 2HB SER 84 -14.919 -14.990 -0.037 685 HB3 SER 84 1HB SER 84 -13.660 -16.221 0.049 686 HG SER 84 HG SER 84 -12.701 -14.247 1.414 Start of MODEL 6 1 H1 MET 1 1H MET 1 30.050 17.875 -6.733 2 H2 MET 1 2H MET 1 29.635 18.381 -8.294 3 H3 MET 1 3H MET 1 30.175 16.795 -8.033 4 HA MET 1 HA MET 1 27.654 17.981 -7.036 5 HB2 MET 1 2HB MET 1 27.648 17.419 -9.445 6 HB3 MET 1 1HB MET 1 28.151 15.781 -9.054 7 HG2 MET 1 2HG MET 1 26.068 15.440 -7.821 8 HG3 MET 1 1HG MET 1 25.561 17.077 -8.232 9 HE1 MET 1 3HE MET 1 23.800 14.461 -8.802 10 HE2 MET 1 1HE MET 1 23.195 14.834 -10.416 11 HE3 MET 1 2HE MET 1 23.284 16.102 -9.192 12 H GLY 2 H GLY 2 26.795 17.031 -5.313 13 HA2 GLY 2 2HA GLY 2 27.910 14.424 -4.479 14 HA3 GLY 2 1HA GLY 2 27.408 15.677 -3.350 15 H HIS 3 H HIS 3 26.373 13.211 -3.002 16 HA HIS 3 HA HIS 3 23.708 13.334 -4.234 17 HB2 HIS 3 2HB HIS 3 23.481 10.949 -3.787 18 HB3 HIS 3 1HB HIS 3 24.925 11.265 -4.735 19 HD1 HIS 3 HD1 HIS 3 27.245 11.082 -3.391 20 HD2 HIS 3 HD2 HIS 3 23.881 9.560 -1.471 21 HE1 HIS 3 HE1 HIS 3 28.120 9.600 -1.554 22 HE2 HIS 3 HE2 HIS 3 26.070 8.565 -0.511 23 H HIS 4 H HIS 4 22.237 14.193 -3.029 24 HA HIS 4 HA HIS 4 22.478 14.169 -0.117 25 HB2 HIS 4 2HB HIS 4 21.964 16.280 -1.327 26 HB3 HIS 4 1HB HIS 4 20.482 15.552 -1.931 27 HD1 HIS 4 HD1 HIS 4 18.471 15.543 -0.399 28 HD2 HIS 4 HD2 HIS 4 21.928 16.951 1.429 29 HE1 HIS 4 HE1 HIS 4 17.720 16.551 1.781 30 HE2 HIS 4 HE2 HIS 4 19.789 17.653 2.708 31 H HIS 5 H HIS 5 20.953 13.193 1.242 32 HA HIS 5 HA HIS 5 19.456 11.043 0.022 33 HB2 HIS 5 2HB HIS 5 20.284 11.746 2.757 34 HB3 HIS 5 1HB HIS 5 18.714 10.956 2.635 35 HD1 HIS 5 HD1 HIS 5 18.707 8.573 1.433 36 HD2 HIS 5 HD2 HIS 5 22.445 10.077 2.481 37 HE1 HIS 5 HE1 HIS 5 20.284 6.613 1.325 38 HE2 HIS 5 HE2 HIS 5 22.506 7.516 2.106 39 H HIS 6 H HIS 6 17.428 11.073 -0.536 40 HA HIS 6 HA HIS 6 15.708 13.174 0.591 41 HB2 HIS 6 2HB HIS 6 14.610 13.456 -1.558 42 HB3 HIS 6 1HB HIS 6 16.335 13.741 -1.728 43 HD1 HIS 6 HD1 HIS 6 13.890 12.553 -3.750 44 HD2 HIS 6 HD2 HIS 6 17.406 10.765 -2.425 45 HE1 HIS 6 HE1 HIS 6 14.423 10.771 -5.438 46 HE2 HIS 6 HE2 HIS 6 16.453 9.591 -4.531 47 H HIS 7 H HIS 7 13.768 12.584 1.302 48 HA HIS 7 HA HIS 7 12.813 9.879 0.617 49 HB2 HIS 7 2HB HIS 7 11.638 9.866 2.837 50 HB3 HIS 7 1HB HIS 7 13.390 9.815 2.949 51 HD1 HIS 7 HD1 HIS 7 14.208 11.190 4.806 52 HD2 HIS 7 HD2 HIS 7 10.774 12.814 3.103 53 HE1 HIS 7 HE1 HIS 7 13.707 13.267 6.130 54 HE2 HIS 7 HE2 HIS 7 11.656 14.268 5.057 55 H HIS 8 H HIS 8 12.389 12.267 -0.818 56 HA HIS 8 HA HIS 8 9.807 13.343 -0.238 57 HB2 HIS 8 2HB HIS 8 11.563 14.594 -1.481 58 HB3 HIS 8 1HB HIS 8 11.393 13.458 -2.814 59 HD1 HIS 8 HD1 HIS 8 9.618 16.273 -1.089 60 HD2 HIS 8 HD2 HIS 8 9.202 13.891 -4.474 61 HE1 HIS 8 HE1 HIS 8 7.815 17.359 -2.471 62 HE2 HIS 8 HE2 HIS 8 7.692 15.991 -4.582 63 H SER 9 H SER 9 11.078 10.738 -2.154 64 HA SER 9 HA SER 9 8.342 9.794 -2.587 65 HB2 SER 9 2HB SER 9 9.050 8.977 -4.853 66 HB3 SER 9 1HB SER 9 8.988 10.734 -4.714 67 HG SER 9 HG SER 9 10.956 9.505 -5.666 68 H HIS 10 H HIS 10 8.449 7.380 -3.279 69 HA HIS 10 HA HIS 10 8.882 5.260 -2.615 70 HB2 HIS 10 2HB HIS 10 11.683 6.366 -2.629 71 HB3 HIS 10 1HB HIS 10 11.356 4.709 -2.140 72 HD1 HIS 10 HD1 HIS 10 11.331 3.030 -3.945 73 HD2 HIS 10 HD2 HIS 10 10.783 6.893 -5.391 74 HE1 HIS 10 HE1 HIS 10 11.298 2.822 -6.455 75 HE2 HIS 10 HE2 HIS 10 10.759 5.135 -7.296 76 H MET 11 H MET 11 7.583 5.864 -0.730 77 HA MET 11 HA MET 11 9.170 5.945 1.753 78 HB2 MET 11 2HB MET 11 6.385 6.932 1.145 79 HB3 MET 11 1HB MET 11 6.964 6.710 2.791 80 HG2 MET 11 2HG MET 11 8.272 8.498 0.750 81 HG3 MET 11 1HG MET 11 7.127 9.041 1.976 82 HE1 MET 11 3HE MET 11 7.900 7.281 4.469 83 HE2 MET 11 1HE MET 11 7.612 9.018 4.580 84 HE3 MET 11 2HE MET 11 9.065 8.319 5.293 85 H LYS 12 H LYS 12 8.793 4.438 3.333 86 HA LYS 12 HA LYS 12 7.285 2.080 2.445 87 HB2 LYS 12 2HB LYS 12 9.297 2.317 4.695 88 HB3 LYS 12 1HB LYS 12 8.605 0.830 4.065 89 HG2 LYS 12 2HG LYS 12 9.735 1.211 1.928 90 HG3 LYS 12 1HG LYS 12 10.434 2.700 2.573 91 HD2 LYS 12 2HD LYS 12 11.549 1.398 4.332 92 HD3 LYS 12 1HD LYS 12 10.874 -0.083 3.656 93 HE2 LYS 12 2HE LYS 12 12.786 1.801 2.277 94 HE3 LYS 12 1HE LYS 12 13.188 0.224 2.954 95 HZ1 LYS 12 3HZ LYS 12 11.729 0.883 0.499 96 HZ2 LYS 12 1HZ LYS 12 11.286 -0.535 1.333 97 HZ3 LYS 12 2HZ LYS 12 12.878 -0.333 0.792 98 H PHE 13 H PHE 13 5.512 1.383 3.536 99 HA PHE 13 HA PHE 13 5.152 2.266 6.285 100 HB2 PHE 13 2HB PHE 13 2.872 2.980 5.991 101 HB3 PHE 13 1HB PHE 13 3.893 3.897 4.894 102 HD1 PHE 13 HD1 PHE 13 4.059 2.862 2.453 103 HD2 PHE 13 HD2 PHE 13 0.903 2.133 5.216 104 HE1 PHE 13 HE1 PHE 13 2.562 2.284 0.589 105 HE2 PHE 13 HE2 PHE 13 -0.598 1.545 3.354 106 HZ PHE 13 HZ PHE 13 0.235 1.626 1.037 107 H LEU 14 H LEU 14 3.702 0.941 7.501 108 HA LEU 14 HA LEU 14 3.966 -1.807 6.724 109 HB2 LEU 14 2HB LEU 14 4.277 -0.945 9.056 110 HB3 LEU 14 1HB LEU 14 2.548 -0.664 9.129 111 HG LEU 14 HG LEU 14 2.204 -3.112 8.736 112 HD11 LEU 14 1HD1 LEU 14 4.102 -4.608 9.096 113 HD12 LEU 14 2HD1 LEU 14 5.185 -3.218 9.177 114 HD13 LEU 14 3HD1 LEU 14 4.340 -3.592 7.674 115 HD21 LEU 14 3HD2 LEU 14 2.778 -3.769 11.016 116 HD22 LEU 14 1HD2 LEU 14 2.081 -2.150 10.976 117 HD23 LEU 14 2HD2 LEU 14 3.822 -2.357 11.167 118 H VAL 15 H VAL 15 2.630 -2.379 5.095 119 HA VAL 15 HA VAL 15 -0.179 -1.620 5.140 120 HB VAL 15 HB VAL 15 1.159 -3.517 3.212 121 HG11 VAL 15 1HG1 VAL 15 -1.324 -1.820 3.017 122 HG12 VAL 15 2HG1 VAL 15 -1.254 -3.575 3.168 123 HG13 VAL 15 3HG1 VAL 15 -0.651 -2.791 1.708 124 HG21 VAL 15 3HG2 VAL 15 1.482 -1.600 1.718 125 HG22 VAL 15 1HG2 VAL 15 2.414 -1.438 3.206 126 HG23 VAL 15 2HG2 VAL 15 0.925 -0.518 2.995 127 H GLU 16 H GLU 16 -1.428 -2.724 6.532 128 HA GLU 16 HA GLU 16 -0.750 -5.455 7.217 129 HB2 GLU 16 2HB GLU 16 -1.408 -3.851 8.981 130 HB3 GLU 16 1HB GLU 16 -3.000 -3.722 8.245 131 HG2 GLU 16 2HG GLU 16 -3.435 -6.056 8.692 132 HG3 GLU 16 1HG GLU 16 -1.807 -6.257 9.340 133 H ASN 17 H ASN 17 -1.353 -6.943 5.785 134 HA ASN 17 HA ASN 17 -3.974 -6.783 4.537 135 HB2 ASN 17 2HB ASN 17 -2.134 -7.502 3.118 136 HB3 ASN 17 1HB ASN 17 -1.739 -8.802 4.237 137 HD21 ASN 17 1HD2 ASN 17 -1.957 -10.256 2.477 138 HD22 ASN 17 2HD2 ASN 17 -3.525 -10.765 1.947 139 H LEU 18 H LEU 18 -5.697 -7.629 5.431 140 HA LEU 18 HA LEU 18 -5.619 -8.889 7.951 141 HB2 LEU 18 2HB LEU 18 -7.509 -7.542 7.145 142 HB3 LEU 18 1HB LEU 18 -7.862 -8.758 5.934 143 HG LEU 18 HG LEU 18 -8.320 -10.381 7.777 144 HD11 LEU 18 1HD1 LEU 18 -8.696 -9.495 10.029 145 HD12 LEU 18 2HD1 LEU 18 -8.081 -7.925 9.508 146 HD13 LEU 18 3HD1 LEU 18 -7.012 -9.327 9.532 147 HD21 LEU 18 3HD2 LEU 18 -10.112 -9.172 6.629 148 HD22 LEU 18 1HD2 LEU 18 -9.976 -7.862 7.800 149 HD23 LEU 18 2HD2 LEU 18 -10.505 -9.462 8.325 150 H ASN 19 H ASN 19 -5.820 -10.121 4.680 151 HA ASN 19 HA ASN 19 -6.187 -12.848 5.694 152 HB2 ASN 19 2HB ASN 19 -6.345 -11.771 2.870 153 HB3 ASN 19 1HB ASN 19 -6.642 -13.442 3.337 154 HD21 ASN 19 1HD2 ASN 19 -8.494 -13.936 4.563 155 HD22 ASN 19 2HD2 ASN 19 -9.847 -12.856 4.618 156 H GLY 20 H GLY 20 -3.686 -11.157 5.728 157 HA2 GLY 20 2HA GLY 20 -1.910 -13.279 4.843 158 HA3 GLY 20 1HA GLY 20 -1.688 -11.725 4.049 159 H SER 21 H SER 21 -0.190 -10.481 4.921 160 HA SER 21 HA SER 21 0.093 -10.405 7.822 161 HB2 SER 21 2HB SER 21 1.737 -12.088 6.976 162 HB3 SER 21 1HB SER 21 2.453 -10.834 5.966 163 HG SER 21 HG SER 21 3.032 -11.393 8.463 164 H SER 22 H SER 22 1.621 -8.563 8.438 165 HA SER 22 HA SER 22 0.942 -6.272 6.788 166 HB2 SER 22 2HB SER 22 2.064 -5.058 8.805 167 HB3 SER 22 1HB SER 22 0.481 -5.804 9.023 168 HG SER 22 HG SER 22 1.476 -6.703 10.657 169 H PHE 23 H PHE 23 2.262 -5.664 5.245 170 HA PHE 23 HA PHE 23 5.133 -6.274 5.512 171 HB2 PHE 23 2HB PHE 23 4.056 -7.519 3.703 172 HB3 PHE 23 1HB PHE 23 3.439 -6.023 3.012 173 HD1 PHE 23 HD1 PHE 23 6.555 -7.882 3.767 174 HD2 PHE 23 HD2 PHE 23 4.723 -4.777 1.508 175 HE1 PHE 23 HE1 PHE 23 8.587 -7.686 2.396 176 HE2 PHE 23 HE2 PHE 23 6.756 -4.573 0.134 177 HZ PHE 23 HZ PHE 23 8.691 -6.029 0.577 178 H GLU 24 H GLU 24 6.554 -4.636 5.442 179 HA GLU 24 HA GLU 24 5.636 -1.930 5.231 180 HB2 GLU 24 2HB GLU 24 8.452 -3.030 5.324 181 HB3 GLU 24 1HB GLU 24 8.016 -1.334 5.493 182 HG2 GLU 24 2HG GLU 24 6.803 -1.827 7.535 183 HG3 GLU 24 1HG GLU 24 7.167 -3.543 7.354 184 H LEU 25 H LEU 25 4.769 -1.681 3.196 185 HA LEU 25 HA LEU 25 6.357 -2.417 0.868 186 HB2 LEU 25 2HB LEU 25 3.770 -2.740 1.283 187 HB3 LEU 25 1HB LEU 25 3.683 -1.086 0.716 188 HG LEU 25 HG LEU 25 5.006 -3.248 -0.911 189 HD11 LEU 25 1HD1 LEU 25 2.912 -3.507 -2.116 190 HD12 LEU 25 2HD1 LEU 25 2.118 -2.390 -1.004 191 HD13 LEU 25 3HD1 LEU 25 2.714 -3.945 -0.420 192 HD21 LEU 25 3HD2 LEU 25 5.478 -0.925 -1.541 193 HD22 LEU 25 1HD2 LEU 25 3.746 -0.616 -1.677 194 HD23 LEU 25 2HD2 LEU 25 4.529 -1.758 -2.771 195 H GLU 26 H GLU 26 7.230 -0.978 -0.543 196 HA GLU 26 HA GLU 26 7.325 1.806 0.355 197 HB2 GLU 26 2HB GLU 26 9.461 0.604 0.106 198 HB3 GLU 26 1HB GLU 26 9.097 0.323 -1.591 199 HG2 GLU 26 2HG GLU 26 9.091 2.745 -1.973 200 HG3 GLU 26 1HG GLU 26 9.515 2.996 -0.279 201 H VAL 27 H VAL 27 6.027 3.170 -0.631 202 HA VAL 27 HA VAL 27 5.366 2.687 -3.462 203 HB VAL 27 HB VAL 27 3.279 3.938 -3.099 204 HG11 VAL 27 1HG1 VAL 27 2.103 2.229 -1.805 205 HG12 VAL 27 2HG1 VAL 27 3.646 1.622 -1.203 206 HG13 VAL 27 3HG1 VAL 27 3.264 1.511 -2.921 207 HG21 VAL 27 3HG2 VAL 27 3.987 5.347 -1.238 208 HG22 VAL 27 1HG2 VAL 27 4.088 3.932 -0.190 209 HG23 VAL 27 2HG2 VAL 27 2.526 4.451 -0.821 210 H ASP 28 H ASP 28 5.232 4.483 -4.861 211 HA ASP 28 HA ASP 28 6.758 6.823 -3.921 212 HB2 ASP 28 2HB ASP 28 7.543 5.512 -5.954 213 HB3 ASP 28 1HB ASP 28 6.092 6.068 -6.778 214 H TYR 29 H TYR 29 5.950 8.956 -4.485 215 HA TYR 29 HA TYR 29 3.112 9.115 -4.148 216 HB2 TYR 29 2HB TYR 29 5.262 11.199 -4.491 217 HB3 TYR 29 1HB TYR 29 3.558 11.620 -4.352 218 HD1 TYR 29 HD2 TYR 29 6.430 10.117 -2.583 219 HD2 TYR 29 HD1 TYR 29 2.441 11.554 -2.252 220 HE1 TYR 29 HE2 TYR 29 6.611 10.044 -0.130 221 HE2 TYR 29 HE1 TYR 29 2.609 11.488 0.197 222 HH TYR 29 HH TYR 29 3.940 10.297 1.923 223 H ARG 30 H ARG 30 5.158 8.881 -6.832 224 HA ARG 30 HA ARG 30 3.355 10.118 -8.720 225 HB2 ARG 30 2HB ARG 30 5.789 9.960 -9.154 226 HB3 ARG 30 1HB ARG 30 5.660 8.206 -9.178 227 HG2 ARG 30 2HG ARG 30 4.087 8.425 -11.101 228 HG3 ARG 30 1HG ARG 30 4.450 10.150 -11.130 229 HD2 ARG 30 2HD ARG 30 5.808 8.986 -12.765 230 HD3 ARG 30 1HD ARG 30 6.826 9.625 -11.474 231 HE ARG 30 HE ARG 30 6.845 7.322 -10.560 232 HH11 ARG 30 1HH1 ARG 30 6.003 7.782 -13.932 233 HH12 ARG 30 2HH1 ARG 30 6.607 6.226 -14.418 234 HH21 ARG 30 1HH2 ARG 30 7.626 5.276 -11.209 235 HH22 ARG 30 2HH2 ARG 30 7.526 4.810 -12.880 236 H ASP 31 H ASP 31 3.594 7.137 -7.084 237 HA ASP 31 HA ASP 31 2.575 5.366 -9.002 238 HB2 ASP 31 2HB ASP 31 2.789 5.321 -6.034 239 HB3 ASP 31 1HB ASP 31 1.692 4.173 -6.795 240 H THR 32 H THR 32 0.778 5.515 -10.018 241 HA THR 32 HA THR 32 -1.551 6.843 -9.079 242 HB THR 32 HB THR 32 -1.438 4.760 -11.275 243 HG1 THR 32 HG1 THR 32 -0.174 7.218 -11.093 244 HG21 THR 32 3HG2 THR 32 -3.658 5.619 -10.720 245 HG22 THR 32 1HG2 THR 32 -3.150 6.196 -12.308 246 HG23 THR 32 2HG2 THR 32 -3.078 7.274 -10.914 247 H LEU 33 H LEU 33 -3.556 5.836 -8.429 248 HA LEU 33 HA LEU 33 -3.253 3.802 -6.541 249 HB2 LEU 33 2HB LEU 33 -5.751 4.751 -7.940 250 HB3 LEU 33 1HB LEU 33 -5.744 3.687 -6.546 251 HG LEU 33 HG LEU 33 -4.658 6.503 -6.579 252 HD11 LEU 33 1HD1 LEU 33 -6.600 7.060 -5.220 253 HD12 LEU 33 2HD1 LEU 33 -7.201 5.410 -5.390 254 HD13 LEU 33 3HD1 LEU 33 -7.084 6.457 -6.805 255 HD21 LEU 33 3HD2 LEU 33 -5.075 4.581 -4.295 256 HD22 LEU 33 1HD2 LEU 33 -4.509 6.246 -4.165 257 HD23 LEU 33 2HD2 LEU 33 -3.518 5.038 -4.985 258 H LEU 34 H LEU 34 -4.016 3.633 -9.935 259 HA LEU 34 HA LEU 34 -4.788 0.919 -10.058 260 HB2 LEU 34 2HB LEU 34 -5.176 2.463 -11.895 261 HB3 LEU 34 1HB LEU 34 -3.450 2.692 -12.105 262 HG LEU 34 HG LEU 34 -3.239 0.324 -12.786 263 HD11 LEU 34 1HD1 LEU 34 -5.220 -0.992 -13.248 264 HD12 LEU 34 2HD1 LEU 34 -6.250 0.315 -12.662 265 HD13 LEU 34 3HD1 LEU 34 -5.177 -0.530 -11.547 266 HD21 LEU 34 3HD2 LEU 34 -5.276 1.906 -14.352 267 HD22 LEU 34 1HD2 LEU 34 -4.299 0.574 -14.972 268 HD23 LEU 34 2HD2 LEU 34 -3.524 2.075 -14.463 269 H VAL 35 H VAL 35 -1.657 2.526 -10.200 270 HA VAL 35 HA VAL 35 -0.195 0.173 -10.910 271 HB VAL 35 HB VAL 35 0.894 2.733 -9.731 272 HG11 VAL 35 1HG1 VAL 35 2.974 2.074 -10.875 273 HG12 VAL 35 2HG1 VAL 35 2.208 0.562 -11.367 274 HG13 VAL 35 3HG1 VAL 35 2.480 0.897 -9.658 275 HG21 VAL 35 3HG2 VAL 35 1.265 3.472 -12.015 276 HG22 VAL 35 1HG2 VAL 35 -0.450 3.171 -11.734 277 HG23 VAL 35 2HG2 VAL 35 0.516 1.998 -12.630 278 H VAL 36 H VAL 36 -0.811 1.919 -7.883 279 HA VAL 36 HA VAL 36 0.892 0.320 -6.285 280 HB VAL 36 HB VAL 36 -0.016 2.557 -5.605 281 HG11 VAL 36 1HG1 VAL 36 -2.195 2.651 -4.502 282 HG12 VAL 36 2HG1 VAL 36 -2.508 0.984 -4.984 283 HG13 VAL 36 3HG1 VAL 36 -2.342 2.241 -6.211 284 HG21 VAL 36 3HG2 VAL 36 -0.207 1.993 -3.226 285 HG22 VAL 36 1HG2 VAL 36 1.113 1.123 -4.008 286 HG23 VAL 36 2HG2 VAL 36 -0.402 0.293 -3.654 287 H LYS 37 H LYS 37 -2.343 -0.144 -7.489 288 HA LYS 37 HA LYS 37 -3.128 -2.295 -5.842 289 HB2 LYS 37 2HB LYS 37 -3.784 -1.566 -8.693 290 HB3 LYS 37 1HB LYS 37 -4.461 -2.992 -7.923 291 HG2 LYS 37 2HG LYS 37 -4.760 -0.233 -6.773 292 HG3 LYS 37 1HG LYS 37 -5.896 -0.913 -7.939 293 HD2 LYS 37 2HD LYS 37 -6.965 -1.923 -6.269 294 HD3 LYS 37 1HD LYS 37 -5.510 -2.860 -5.930 295 HE2 LYS 37 2HE LYS 37 -6.085 -0.112 -4.821 296 HE3 LYS 37 1HE LYS 37 -6.374 -1.623 -3.959 297 HZ1 LYS 37 3HZ LYS 37 -4.009 -2.121 -4.123 298 HZ2 LYS 37 1HZ LYS 37 -4.272 -0.652 -3.318 299 HZ3 LYS 37 2HZ LYS 37 -3.743 -0.651 -4.922 300 H GLN 38 H GLN 38 -1.297 -2.146 -8.858 301 HA GLN 38 HA GLN 38 -0.935 -4.959 -9.079 302 HB2 GLN 38 2HB GLN 38 0.530 -2.660 -10.376 303 HB3 GLN 38 1HB GLN 38 0.725 -4.350 -10.825 304 HG2 GLN 38 2HG GLN 38 -1.567 -4.487 -11.527 305 HG3 GLN 38 1HG GLN 38 -1.884 -2.856 -10.938 306 HE21 GLN 38 1HE2 GLN 38 -2.582 -2.198 -12.957 307 HE22 GLN 38 2HE2 GLN 38 -1.484 -1.900 -14.268 308 H LYS 39 H LYS 39 0.862 -2.377 -7.529 309 HA LYS 39 HA LYS 39 3.217 -3.836 -6.975 310 HB2 LYS 39 2HB LYS 39 1.912 -1.444 -5.736 311 HB3 LYS 39 1HB LYS 39 3.253 -2.217 -4.903 312 HG2 LYS 39 2HG LYS 39 4.613 -1.917 -6.973 313 HG3 LYS 39 1HG LYS 39 3.279 -0.975 -7.644 314 HD2 LYS 39 2HD LYS 39 3.504 0.699 -5.980 315 HD3 LYS 39 1HD LYS 39 4.574 -0.310 -5.006 316 HE2 LYS 39 2HE LYS 39 5.864 1.394 -6.135 317 HE3 LYS 39 1HE LYS 39 6.267 -0.190 -6.793 318 HZ1 LYS 39 3HZ LYS 39 6.031 1.212 -8.632 319 HZ2 LYS 39 1HZ LYS 39 4.623 1.947 -8.026 320 HZ3 LYS 39 2HZ LYS 39 4.581 0.348 -8.580 321 H ILE 40 H ILE 40 0.361 -3.232 -4.937 322 HA ILE 40 HA ILE 40 1.178 -4.892 -2.815 323 HB ILE 40 HB ILE 40 -1.621 -4.063 -3.609 324 HG12 ILE 40 2HG1 ILE 40 0.303 -2.862 -1.600 325 HG13 ILE 40 1HG1 ILE 40 -0.085 -2.175 -3.174 326 HG21 ILE 40 1HG2 ILE 40 -2.211 -4.544 -1.271 327 HG22 ILE 40 2HG2 ILE 40 -0.585 -5.173 -1.002 328 HG23 ILE 40 3HG2 ILE 40 -1.671 -5.987 -2.129 329 HD11 ILE 40 3HD1 ILE 40 -2.007 -2.562 -0.889 330 HD12 ILE 40 1HD1 ILE 40 -2.403 -1.884 -2.468 331 HD13 ILE 40 2HD1 ILE 40 -1.283 -1.037 -1.401 332 H GLU 41 H GLU 41 -0.643 -5.506 -5.744 333 HA GLU 41 HA GLU 41 -1.656 -8.041 -5.221 334 HB2 GLU 41 2HB GLU 41 -2.261 -6.760 -7.208 335 HB3 GLU 41 1HB GLU 41 -0.621 -6.892 -7.822 336 HG2 GLU 41 2HG GLU 41 -0.898 -9.325 -7.999 337 HG3 GLU 41 1HG GLU 41 -2.553 -9.161 -7.419 338 H ARG 42 H ARG 42 1.534 -7.053 -6.339 339 HA ARG 42 HA ARG 42 2.412 -9.758 -6.767 340 HB2 ARG 42 2HB ARG 42 3.210 -7.804 -8.098 341 HB3 ARG 42 1HB ARG 42 4.037 -7.211 -6.666 342 HG2 ARG 42 2HG ARG 42 5.528 -9.064 -6.661 343 HG3 ARG 42 1HG ARG 42 4.598 -9.895 -7.909 344 HD2 ARG 42 2HD ARG 42 6.150 -7.327 -8.216 345 HD3 ARG 42 1HD ARG 42 6.574 -8.903 -8.887 346 HE ARG 42 HE ARG 42 4.209 -7.333 -9.705 347 HH11 ARG 42 1HH1 ARG 42 6.857 -9.510 -10.452 348 HH12 ARG 42 2HH1 ARG 42 6.401 -9.670 -12.123 349 HH21 ARG 42 1HH2 ARG 42 3.618 -7.561 -11.913 350 HH22 ARG 42 2HH2 ARG 42 4.583 -8.573 -12.947 351 H SER 43 H SER 43 2.442 -7.480 -4.169 352 HA SER 43 HA SER 43 4.560 -8.757 -2.705 353 HB2 SER 43 2HB SER 43 4.139 -6.348 -2.466 354 HB3 SER 43 1HB SER 43 2.535 -6.688 -1.823 355 HG SER 43 HG SER 43 4.983 -7.524 -0.648 356 H GLN 44 H GLN 44 1.027 -8.489 -2.263 357 HA GLN 44 HA GLN 44 1.152 -10.436 -0.101 358 HB2 GLN 44 2HB GLN 44 -1.109 -8.783 -1.224 359 HB3 GLN 44 1HB GLN 44 -1.301 -9.926 0.099 360 HG2 GLN 44 2HG GLN 44 0.575 -7.574 0.141 361 HG3 GLN 44 1HG GLN 44 -1.054 -7.568 0.818 362 HE21 GLN 44 1HE2 GLN 44 1.545 -7.194 2.109 363 HE22 GLN 44 2HE2 GLN 44 1.623 -8.388 3.354 364 H HIS 45 H HIS 45 0.857 -10.530 -3.400 365 HA HIS 45 HA HIS 45 0.378 -12.165 -4.896 366 HB2 HIS 45 2HB HIS 45 0.110 -13.843 -2.400 367 HB3 HIS 45 1HB HIS 45 -0.073 -14.501 -4.022 368 HD1 HIS 45 HD1 HIS 45 2.031 -15.037 -5.308 369 HD2 HIS 45 HD2 HIS 45 2.768 -12.946 -1.786 370 HE1 HIS 45 HE1 HIS 45 4.529 -15.090 -4.994 371 HE2 HIS 45 HE2 HIS 45 4.937 -13.960 -2.773 372 H ILE 46 H ILE 46 -1.713 -10.492 -3.451 373 HA ILE 46 HA ILE 46 -4.083 -12.092 -4.109 374 HB ILE 46 HB ILE 46 -5.370 -10.300 -2.929 375 HG12 ILE 46 2HG1 ILE 46 -2.630 -9.367 -2.039 376 HG13 ILE 46 1HG1 ILE 46 -3.658 -8.509 -3.181 377 HG21 ILE 46 1HG2 ILE 46 -4.799 -12.376 -1.811 378 HG22 ILE 46 2HG2 ILE 46 -4.742 -11.029 -0.674 379 HG23 ILE 46 3HG2 ILE 46 -3.245 -11.704 -1.319 380 HD11 ILE 46 3HD1 ILE 46 -3.766 -7.540 -0.950 381 HD12 ILE 46 1HD1 ILE 46 -4.332 -9.080 -0.305 382 HD13 ILE 46 2HD1 ILE 46 -5.330 -8.183 -1.450 383 HA PRO 47 HA PRO 47 -4.276 -9.887 -7.941 384 HB2 PRO 47 2HB PRO 47 -6.904 -10.473 -8.517 385 HB3 PRO 47 1HB PRO 47 -5.547 -11.562 -8.824 386 HG2 PRO 47 2HG PRO 47 -7.485 -11.543 -6.550 387 HG3 PRO 47 1HG PRO 47 -6.807 -12.921 -7.435 388 HD2 PRO 47 2HD PRO 47 -5.904 -12.206 -5.002 389 HD3 PRO 47 1HD PRO 47 -4.823 -12.868 -6.247 390 H VAL 48 H VAL 48 -5.064 -7.995 -8.768 391 HA VAL 48 HA VAL 48 -5.730 -5.940 -7.071 392 HB VAL 48 HB VAL 48 -4.847 -5.527 -9.279 393 HG11 VAL 48 1HG1 VAL 48 -5.944 -7.304 -10.511 394 HG12 VAL 48 2HG1 VAL 48 -6.216 -5.750 -11.299 395 HG13 VAL 48 3HG1 VAL 48 -7.500 -6.490 -10.342 396 HG21 VAL 48 3HG2 VAL 48 -7.587 -4.294 -8.998 397 HG22 VAL 48 1HG2 VAL 48 -6.272 -3.680 -10.001 398 HG23 VAL 48 2HG2 VAL 48 -6.102 -3.709 -8.246 399 H SER 49 H SER 49 -7.931 -8.129 -8.713 400 HA SER 49 HA SER 49 -10.299 -6.646 -8.377 401 HB2 SER 49 2HB SER 49 -10.095 -9.658 -8.486 402 HB3 SER 49 1HB SER 49 -11.433 -8.642 -9.029 403 HG SER 49 HG SER 49 -10.301 -8.024 -10.772 404 H LYS 50 H LYS 50 -8.489 -8.661 -6.197 405 HA LYS 50 HA LYS 50 -10.753 -8.832 -4.337 406 HB2 LYS 50 2HB LYS 50 -8.090 -10.265 -4.360 407 HB3 LYS 50 1HB LYS 50 -9.315 -10.462 -3.114 408 HG2 LYS 50 2HG LYS 50 -10.886 -11.236 -4.894 409 HG3 LYS 50 1HG LYS 50 -9.529 -11.208 -6.022 410 HD2 LYS 50 2HD LYS 50 -8.351 -12.855 -4.729 411 HD3 LYS 50 1HD LYS 50 -9.571 -12.789 -3.455 412 HE2 LYS 50 2HE LYS 50 -11.247 -13.581 -5.122 413 HE3 LYS 50 1HE LYS 50 -9.929 -13.798 -6.273 414 HZ1 LYS 50 3HZ LYS 50 -10.529 -15.854 -5.114 415 HZ2 LYS 50 1HZ LYS 50 -10.123 -15.145 -3.633 416 HZ3 LYS 50 2HZ LYS 50 -8.925 -15.401 -4.801 417 H GLN 51 H GLN 51 -8.632 -6.603 -4.972 418 HA GLN 51 HA GLN 51 -7.448 -6.293 -2.331 419 HB2 GLN 51 2HB GLN 51 -6.673 -5.632 -4.981 420 HB3 GLN 51 1HB GLN 51 -6.804 -4.133 -4.073 421 HG2 GLN 51 2HG GLN 51 -5.269 -4.971 -2.406 422 HG3 GLN 51 1HG GLN 51 -5.186 -6.527 -3.236 423 HE21 GLN 51 1HE2 GLN 51 -4.054 -6.694 -5.153 424 HE22 GLN 51 2HE2 GLN 51 -2.963 -5.465 -5.701 425 H THR 52 H THR 52 -9.273 -5.695 -1.108 426 HA THR 52 HA THR 52 -10.602 -3.201 -1.792 427 HB THR 52 HB THR 52 -10.925 -4.822 0.741 428 HG1 THR 52 HG1 THR 52 -11.639 -6.254 -0.682 429 HG21 THR 52 3HG2 THR 52 -11.823 -2.550 0.845 430 HG22 THR 52 1HG2 THR 52 -13.126 -3.738 0.833 431 HG23 THR 52 2HG2 THR 52 -12.742 -2.837 -0.634 432 H LEU 53 H LEU 53 -9.132 -1.569 -1.585 433 HA LEU 53 HA LEU 53 -7.366 -1.510 0.721 434 HB2 LEU 53 2HB LEU 53 -6.922 -0.814 -1.830 435 HB3 LEU 53 1HB LEU 53 -7.450 0.740 -1.221 436 HG LEU 53 HG LEU 53 -5.091 -0.867 -0.237 437 HD11 LEU 53 1HD1 LEU 53 -3.778 1.005 -1.088 438 HD12 LEU 53 2HD1 LEU 53 -5.249 1.769 -1.688 439 HD13 LEU 53 3HD1 LEU 53 -4.711 0.234 -2.370 440 HD21 LEU 53 3HD2 LEU 53 -6.103 1.806 0.724 441 HD22 LEU 53 1HD2 LEU 53 -4.599 1.030 1.219 442 HD23 LEU 53 2HD2 LEU 53 -6.148 0.293 1.630 443 H ILE 54 H ILE 54 -8.310 -0.860 2.528 444 HA ILE 54 HA ILE 54 -10.257 1.314 2.507 445 HB ILE 54 HB ILE 54 -9.232 -0.383 4.793 446 HG12 ILE 54 2HG1 ILE 54 -11.864 -0.510 3.301 447 HG13 ILE 54 1HG1 ILE 54 -10.525 -1.631 3.082 448 HG21 ILE 54 1HG2 ILE 54 -10.006 1.770 5.590 449 HG22 ILE 54 2HG2 ILE 54 -11.157 0.512 6.039 450 HG23 ILE 54 3HG2 ILE 54 -11.511 1.590 4.688 451 HD11 ILE 54 3HD1 ILE 54 -12.133 -1.236 5.593 452 HD12 ILE 54 1HD1 ILE 54 -10.746 -2.315 5.430 453 HD13 ILE 54 2HD1 ILE 54 -12.210 -2.613 4.493 454 H VAL 55 H VAL 55 -9.548 3.352 2.645 455 HA VAL 55 HA VAL 55 -7.017 3.862 4.073 456 HB VAL 55 HB VAL 55 -8.322 5.574 1.945 457 HG11 VAL 55 1HG1 VAL 55 -5.671 5.854 3.354 458 HG12 VAL 55 2HG1 VAL 55 -7.073 6.910 3.530 459 HG13 VAL 55 3HG1 VAL 55 -6.213 6.836 1.993 460 HG21 VAL 55 3HG2 VAL 55 -6.445 4.894 0.522 461 HG22 VAL 55 1HG2 VAL 55 -7.436 3.518 1.004 462 HG23 VAL 55 2HG2 VAL 55 -5.885 3.803 1.791 463 H ASP 56 H ASP 56 -7.405 4.524 6.050 464 HA ASP 56 HA ASP 56 -7.957 5.918 7.750 465 HB2 ASP 56 2HB ASP 56 -7.740 7.800 6.216 466 HB3 ASP 56 1HB ASP 56 -9.384 7.544 5.635 467 H GLY 57 H GLY 57 -10.254 4.395 5.788 468 HA2 GLY 57 2HA GLY 57 -11.826 3.234 7.571 469 HA3 GLY 57 1HA GLY 57 -12.474 4.869 7.618 470 H ILE 58 H ILE 58 -11.840 5.224 4.727 471 HA ILE 58 HA ILE 58 -14.186 3.772 3.700 472 HB ILE 58 HB ILE 58 -12.974 6.358 2.698 473 HG12 ILE 58 2HG1 ILE 58 -14.029 6.695 4.864 474 HG13 ILE 58 1HG1 ILE 58 -15.034 7.408 3.606 475 HG21 ILE 58 1HG2 ILE 58 -14.984 6.540 1.311 476 HG22 ILE 58 2HG2 ILE 58 -15.522 4.962 1.884 477 HG23 ILE 58 3HG2 ILE 58 -14.055 5.093 0.916 478 HD11 ILE 58 3HD1 ILE 58 -16.499 5.446 3.684 479 HD12 ILE 58 1HD1 ILE 58 -16.390 6.261 5.245 480 HD13 ILE 58 2HD1 ILE 58 -15.498 4.765 4.966 481 H VAL 59 H VAL 59 -14.044 2.596 1.818 482 HA VAL 59 HA VAL 59 -11.413 1.938 0.855 483 HB VAL 59 HB VAL 59 -13.127 0.205 0.921 484 HG11 VAL 59 1HG1 VAL 59 -15.112 1.541 0.499 485 HG12 VAL 59 2HG1 VAL 59 -15.017 0.196 -0.637 486 HG13 VAL 59 3HG1 VAL 59 -14.591 1.826 -1.162 487 HG21 VAL 59 3HG2 VAL 59 -12.862 -0.688 -1.352 488 HG22 VAL 59 1HG2 VAL 59 -11.355 -0.045 -0.704 489 HG23 VAL 59 2HG2 VAL 59 -12.274 0.887 -1.887 490 H ILE 60 H ILE 60 -10.361 2.776 -0.851 491 HA ILE 60 HA ILE 60 -11.623 5.032 -2.196 492 HB ILE 60 HB ILE 60 -8.757 4.093 -2.315 493 HG12 ILE 60 2HG1 ILE 60 -9.407 4.851 -0.069 494 HG13 ILE 60 1HG1 ILE 60 -8.286 5.983 -0.821 495 HG21 ILE 60 1HG2 ILE 60 -9.391 5.351 -4.297 496 HG22 ILE 60 2HG2 ILE 60 -8.299 6.300 -3.286 497 HG23 ILE 60 3HG2 ILE 60 -10.028 6.650 -3.287 498 HD11 ILE 60 3HD1 ILE 60 -10.157 7.452 -1.380 499 HD12 ILE 60 1HD1 ILE 60 -10.050 7.154 0.356 500 HD13 ILE 60 2HD1 ILE 60 -11.270 6.323 -0.609 501 H LEU 61 H LEU 61 -12.913 4.312 -3.784 502 HA LEU 61 HA LEU 61 -11.889 2.296 -5.641 503 HB2 LEU 61 2HB LEU 61 -14.643 3.509 -5.383 504 HB3 LEU 61 1HB LEU 61 -14.196 2.244 -6.512 505 HG LEU 61 HG LEU 61 -14.115 1.980 -3.506 506 HD11 LEU 61 1HD1 LEU 61 -16.054 0.521 -3.792 507 HD12 LEU 61 2HD1 LEU 61 -16.086 0.903 -5.514 508 HD13 LEU 61 3HD1 LEU 61 -16.396 2.167 -4.324 509 HD21 LEU 61 3HD2 LEU 61 -13.785 -0.405 -3.971 510 HD22 LEU 61 1HD2 LEU 61 -12.466 0.573 -4.616 511 HD23 LEU 61 2HD2 LEU 61 -13.710 -0.054 -5.698 512 H ARG 62 H ARG 62 -10.326 3.871 -6.449 513 HA ARG 62 HA ARG 62 -11.564 5.578 -8.496 514 HB2 ARG 62 2HB ARG 62 -9.292 6.224 -6.646 515 HB3 ARG 62 1HB ARG 62 -9.440 7.025 -8.201 516 HG2 ARG 62 2HG ARG 62 -11.617 7.012 -6.124 517 HG3 ARG 62 1HG ARG 62 -10.396 8.278 -6.261 518 HD2 ARG 62 2HD ARG 62 -12.333 9.048 -7.408 519 HD3 ARG 62 1HD ARG 62 -11.147 8.613 -8.636 520 HE ARG 62 HE ARG 62 -13.288 6.738 -7.881 521 HH11 ARG 62 1HH1 ARG 62 -11.663 8.688 -10.313 522 HH12 ARG 62 2HH1 ARG 62 -12.533 7.969 -11.637 523 HH21 ARG 62 1HH2 ARG 62 -14.441 5.828 -9.607 524 HH22 ARG 62 2HH2 ARG 62 -14.134 6.369 -11.232 525 H GLU 63 H GLU 63 -8.329 4.349 -7.631 526 HA GLU 63 HA GLU 63 -6.667 3.385 -8.838 527 HB2 GLU 63 2HB GLU 63 -8.877 2.884 -10.833 528 HB3 GLU 63 1HB GLU 63 -7.221 2.350 -11.080 529 HG2 GLU 63 2HG GLU 63 -7.323 0.868 -9.243 530 HG3 GLU 63 1HG GLU 63 -8.837 1.570 -8.673 531 H ASP 64 H ASP 64 -8.640 5.806 -10.301 532 HA ASP 64 HA ASP 64 -6.921 6.568 -12.420 533 HB2 ASP 64 2HB ASP 64 -9.268 7.046 -12.533 534 HB3 ASP 64 1HB ASP 64 -9.216 7.945 -11.024 535 H LEU 65 H LEU 65 -7.458 7.883 -9.160 536 HA LEU 65 HA LEU 65 -5.613 10.040 -9.537 537 HB2 LEU 65 2HB LEU 65 -6.869 8.956 -7.016 538 HB3 LEU 65 1HB LEU 65 -5.953 10.446 -7.123 539 HG LEU 65 HG LEU 65 -8.576 9.885 -8.507 540 HD11 LEU 65 1HD1 LEU 65 -8.813 10.184 -6.099 541 HD12 LEU 65 2HD1 LEU 65 -9.470 11.567 -6.974 542 HD13 LEU 65 3HD1 LEU 65 -7.896 11.689 -6.187 543 HD21 LEU 65 3HD2 LEU 65 -7.109 11.350 -9.822 544 HD22 LEU 65 1HD2 LEU 65 -6.925 12.411 -8.425 545 HD23 LEU 65 2HD2 LEU 65 -8.505 12.220 -9.187 546 H THR 66 H THR 66 -3.790 10.362 -7.922 547 HA THR 66 HA THR 66 -2.201 7.909 -7.799 548 HB THR 66 HB THR 66 -0.290 9.445 -7.315 549 HG1 THR 66 HG1 THR 66 -1.415 11.722 -8.191 550 HG21 THR 66 3HG2 THR 66 -0.133 10.391 -9.579 551 HG22 THR 66 1HG2 THR 66 -1.849 10.066 -9.828 552 HG23 THR 66 2HG2 THR 66 -0.721 8.728 -9.608 553 H VAL 67 H VAL 67 -0.781 7.666 -5.828 554 HA VAL 67 HA VAL 67 -2.371 7.554 -3.507 555 HB VAL 67 HB VAL 67 -0.312 6.934 -2.304 556 HG11 VAL 67 1HG1 VAL 67 0.190 4.913 -3.582 557 HG12 VAL 67 2HG1 VAL 67 -0.591 5.614 -5.000 558 HG13 VAL 67 3HG1 VAL 67 -1.543 5.243 -3.563 559 HG21 VAL 67 3HG2 VAL 67 1.809 6.760 -3.516 560 HG22 VAL 67 1HG2 VAL 67 1.260 8.431 -3.389 561 HG23 VAL 67 2HG2 VAL 67 1.072 7.554 -4.908 562 H GLU 68 H GLU 68 -0.178 9.998 -4.706 563 HA GLU 68 HA GLU 68 0.146 11.422 -2.276 564 HB2 GLU 68 2HB GLU 68 1.618 11.684 -4.275 565 HB3 GLU 68 1HB GLU 68 0.297 12.506 -5.096 566 HG2 GLU 68 2HG GLU 68 0.322 14.234 -3.331 567 HG3 GLU 68 1HG GLU 68 1.711 13.426 -2.602 568 H GLN 69 H GLN 69 -2.079 11.775 -5.009 569 HA GLN 69 HA GLN 69 -3.408 14.064 -3.940 570 HB2 GLN 69 2HB GLN 69 -4.408 12.121 -6.033 571 HB3 GLN 69 1HB GLN 69 -4.980 13.762 -5.762 572 HG2 GLN 69 2HG GLN 69 -2.874 14.671 -6.473 573 HG3 GLN 69 1HG GLN 69 -2.185 13.055 -6.609 574 HE21 GLN 69 1HE2 GLN 69 -5.424 13.999 -7.607 575 HE22 GLN 69 2HE2 GLN 69 -5.158 13.755 -9.304 576 H CYS 70 H CYS 70 -3.785 10.628 -3.627 577 HA CYS 70 HA CYS 70 -6.417 10.737 -2.489 578 HB2 CYS 70 2HB CYS 70 -5.565 8.740 -3.684 579 HB3 CYS 70 1HB CYS 70 -4.364 8.512 -2.419 580 HG CYS 70 HG CYS 70 -6.757 8.474 -0.548 581 H GLN 71 H GLN 71 -3.292 11.377 -1.366 582 HA GLN 71 HA GLN 71 -2.417 11.922 0.652 583 HB2 GLN 71 2HB GLN 71 -5.348 12.155 1.328 584 HB3 GLN 71 1HB GLN 71 -4.073 12.581 2.458 585 HG2 GLN 71 2HG GLN 71 -4.381 13.816 -0.267 586 HG3 GLN 71 1HG GLN 71 -5.055 14.498 1.213 587 HE21 GLN 71 1HE2 GLN 71 -2.141 13.840 -0.579 588 HE22 GLN 71 2HE2 GLN 71 -1.100 14.836 0.377 589 H ILE 72 H ILE 72 -2.488 9.229 0.062 590 HA ILE 72 HA ILE 72 -3.459 7.698 2.272 591 HB ILE 72 HB ILE 72 -1.381 6.954 0.201 592 HG12 ILE 72 2HG1 ILE 72 -4.351 6.367 0.331 593 HG13 ILE 72 1HG1 ILE 72 -3.575 7.494 -0.777 594 HG21 ILE 72 1HG2 ILE 72 -1.215 5.566 2.196 595 HG22 ILE 72 2HG2 ILE 72 -1.868 4.633 0.849 596 HG23 ILE 72 3HG2 ILE 72 -2.943 5.221 2.120 597 HD11 ILE 72 3HD1 ILE 72 -2.365 5.645 -1.809 598 HD12 ILE 72 1HD1 ILE 72 -4.111 5.401 -1.877 599 HD13 ILE 72 2HD1 ILE 72 -3.143 4.517 -0.698 600 H VAL 73 H VAL 73 -2.677 8.177 4.219 601 HA VAL 73 HA VAL 73 0.237 8.454 4.536 602 HB VAL 73 HB VAL 73 -0.278 9.711 6.640 603 HG11 VAL 73 1HG1 VAL 73 -0.942 11.798 5.509 604 HG12 VAL 73 2HG1 VAL 73 -1.386 10.864 4.081 605 HG13 VAL 73 3HG1 VAL 73 0.295 10.914 4.613 606 HG21 VAL 73 3HG2 VAL 73 -3.100 9.650 5.570 607 HG22 VAL 73 1HG2 VAL 73 -2.540 10.625 6.929 608 HG23 VAL 73 2HG2 VAL 73 -2.525 8.865 7.041 609 HA PRO 74 HA PRO 74 0.219 4.773 6.933 610 HB2 PRO 74 2HB PRO 74 2.460 5.820 8.499 611 HB3 PRO 74 1HB PRO 74 2.430 4.485 7.346 612 HG2 PRO 74 2HG PRO 74 3.682 6.814 6.818 613 HG3 PRO 74 1HG PRO 74 2.899 5.849 5.554 614 HD2 PRO 74 2HD PRO 74 1.900 8.306 6.954 615 HD3 PRO 74 1HD PRO 74 1.807 7.875 5.232 616 H THR 75 H THR 75 -0.646 7.693 8.195 617 HA THR 75 HA THR 75 -0.901 6.705 10.942 618 HB THR 75 HB THR 75 -1.587 9.131 11.379 619 HG1 THR 75 HG1 THR 75 -1.932 10.080 9.469 620 HG21 THR 75 3HG2 THR 75 1.196 8.531 10.370 621 HG22 THR 75 1HG2 THR 75 0.597 8.244 12.003 622 HG23 THR 75 2HG2 THR 75 0.754 9.893 11.400 623 H SER 76 H SER 76 -2.633 6.426 8.271 624 HA SER 76 HA SER 76 -5.190 6.993 9.601 625 HB2 SER 76 2HB SER 76 -6.202 6.890 7.329 626 HB3 SER 76 1HB SER 76 -5.008 8.173 7.493 627 HG SER 76 HG SER 76 -3.493 6.631 6.521 628 H ASP 77 H ASP 77 -6.895 5.428 9.389 629 HA ASP 77 HA ASP 77 -6.103 2.793 9.985 630 HB2 ASP 77 2HB ASP 77 -8.202 3.804 10.776 631 HB3 ASP 77 1HB ASP 77 -8.810 3.841 9.126 632 H ILE 78 H ILE 78 -4.979 1.681 8.444 633 HA ILE 78 HA ILE 78 -6.298 1.360 5.833 634 HB ILE 78 HB ILE 78 -3.324 1.485 6.354 635 HG12 ILE 78 2HG1 ILE 78 -5.147 3.346 4.808 636 HG13 ILE 78 1HG1 ILE 78 -4.453 3.683 6.391 637 HG21 ILE 78 1HG2 ILE 78 -3.115 1.314 3.895 638 HG22 ILE 78 2HG2 ILE 78 -4.849 0.998 3.797 639 HG23 ILE 78 3HG2 ILE 78 -3.791 -0.138 4.633 640 HD11 ILE 78 3HD1 ILE 78 -2.214 3.598 5.410 641 HD12 ILE 78 1HD1 ILE 78 -3.225 4.830 4.655 642 HD13 ILE 78 2HD1 ILE 78 -2.927 3.301 3.825 643 H GLN 79 H GLN 79 -6.997 -0.619 5.572 644 HA GLN 79 HA GLN 79 -5.228 -2.851 6.254 645 HB2 GLN 79 2HB GLN 79 -8.091 -2.516 7.055 646 HB3 GLN 79 1HB GLN 79 -7.487 -4.125 6.695 647 HG2 GLN 79 2HG GLN 79 -5.704 -3.752 8.400 648 HG3 GLN 79 1HG GLN 79 -6.515 -2.244 8.828 649 HE21 GLN 79 1HE2 GLN 79 -6.033 -4.727 10.373 650 HE22 GLN 79 2HE2 GLN 79 -7.606 -5.234 10.911 651 H LEU 80 H LEU 80 -5.406 -4.647 4.894 652 HA LEU 80 HA LEU 80 -6.811 -4.129 2.374 653 HB2 LEU 80 2HB LEU 80 -4.660 -6.127 3.062 654 HB3 LEU 80 1HB LEU 80 -5.452 -6.028 1.504 655 HG LEU 80 HG LEU 80 -3.819 -3.804 2.726 656 HD11 LEU 80 1HD1 LEU 80 -3.097 -5.799 0.581 657 HD12 LEU 80 2HD1 LEU 80 -2.434 -5.745 2.215 658 HD13 LEU 80 3HD1 LEU 80 -2.116 -4.424 1.090 659 HD21 LEU 80 3HD2 LEU 80 -5.024 -4.183 -0.016 660 HD22 LEU 80 1HD2 LEU 80 -3.907 -2.891 0.428 661 HD23 LEU 80 2HD2 LEU 80 -5.495 -2.985 1.188 662 H GLU 81 H GLU 81 -8.810 -4.864 2.409 663 HA GLU 81 HA GLU 81 -9.401 -7.415 3.697 664 HB2 GLU 81 2HB GLU 81 -10.962 -5.626 4.164 665 HB3 GLU 81 1HB GLU 81 -11.190 -5.323 2.449 666 HG2 GLU 81 2HG GLU 81 -12.270 -7.463 2.177 667 HG3 GLU 81 1HG GLU 81 -11.962 -7.861 3.867 668 H VAL 82 H VAL 82 -9.000 -9.160 2.500 669 HA VAL 82 HA VAL 82 -9.057 -8.970 -0.396 670 HB VAL 82 HB VAL 82 -8.422 -11.386 1.305 671 HG11 VAL 82 1HG1 VAL 82 -7.297 -12.203 -0.711 672 HG12 VAL 82 2HG1 VAL 82 -7.829 -10.767 -1.588 673 HG13 VAL 82 3HG1 VAL 82 -9.016 -11.929 -0.994 674 HG21 VAL 82 3HG2 VAL 82 -6.541 -9.356 0.104 675 HG22 VAL 82 1HG2 VAL 82 -6.073 -10.831 0.950 676 HG23 VAL 82 2HG2 VAL 82 -6.904 -9.542 1.821 677 H SER 83 H SER 83 -10.814 -9.343 -1.501 678 HA SER 83 HA SER 83 -13.120 -10.599 -0.335 679 HB2 SER 83 2HB SER 83 -13.192 -8.664 -1.959 680 HB3 SER 83 1HB SER 83 -12.703 -9.791 -3.224 681 HG SER 83 HG SER 83 -15.123 -9.573 -1.843 682 H SER 84 H SER 84 -12.567 -12.714 0.096 683 HA SER 84 HA SER 84 -11.117 -14.455 -1.505 684 HB2 SER 84 2HB SER 84 -13.359 -15.209 0.386 685 HB3 SER 84 1HB SER 84 -12.010 -16.232 -0.116 686 HG SER 84 HG SER 84 -10.624 -14.585 0.883 Start of MODEL 7 1 H1 MET 1 1H MET 1 24.468 18.611 -0.367 2 H2 MET 1 2H MET 1 23.557 19.844 0.352 3 H3 MET 1 3H MET 1 25.225 20.050 0.117 4 HA MET 1 HA MET 1 23.914 21.291 -1.492 5 HB2 MET 1 2HB MET 1 25.157 20.657 -3.428 6 HB3 MET 1 1HB MET 1 26.185 20.355 -2.038 7 HG2 MET 1 2HG MET 1 24.590 18.253 -3.484 8 HG3 MET 1 1HG MET 1 26.298 18.590 -3.753 9 HE1 MET 1 3HE MET 1 26.279 15.136 -1.879 10 HE2 MET 1 1HE MET 1 26.817 16.001 -3.319 11 HE3 MET 1 2HE MET 1 25.097 15.722 -3.050 12 H GLY 2 H GLY 2 22.870 20.960 -3.708 13 HA2 GLY 2 2HA GLY 2 21.521 18.867 -4.682 14 HA3 GLY 2 1HA GLY 2 20.533 19.286 -3.288 15 H HIS 3 H HIS 3 19.836 19.401 -6.124 16 HA HIS 3 HA HIS 3 19.530 22.311 -6.461 17 HB2 HIS 3 2HB HIS 3 20.548 20.860 -8.318 18 HB3 HIS 3 1HB HIS 3 18.922 20.225 -8.554 19 HD1 HIS 3 HD1 HIS 3 17.769 21.365 -10.414 20 HD2 HIS 3 HD2 HIS 3 20.391 23.913 -8.435 21 HE1 HIS 3 HE1 HIS 3 17.600 23.573 -11.609 22 HE2 HIS 3 HE2 HIS 3 19.359 25.024 -10.528 23 H HIS 4 H HIS 4 17.958 19.669 -5.301 24 HA HIS 4 HA HIS 4 15.305 20.857 -5.803 25 HB2 HIS 4 2HB HIS 4 16.046 17.945 -5.454 26 HB3 HIS 4 1HB HIS 4 14.394 18.545 -5.447 27 HD1 HIS 4 HD1 HIS 4 13.249 18.606 -7.643 28 HD2 HIS 4 HD2 HIS 4 17.389 18.428 -8.033 29 HE1 HIS 4 HE1 HIS 4 13.690 18.297 -10.101 30 HE2 HIS 4 HE2 HIS 4 16.198 18.351 -10.331 31 H HIS 5 H HIS 5 13.860 20.880 -4.037 32 HA HIS 5 HA HIS 5 15.084 21.068 -1.464 33 HB2 HIS 5 2HB HIS 5 13.088 22.418 -2.166 34 HB3 HIS 5 1HB HIS 5 12.123 20.945 -2.102 35 HD1 HIS 5 HD1 HIS 5 10.684 21.154 -0.078 36 HD2 HIS 5 HD2 HIS 5 14.585 22.414 0.647 37 HE1 HIS 5 HE1 HIS 5 10.786 21.683 2.378 38 HE2 HIS 5 HE2 HIS 5 13.181 22.344 2.821 39 H HIS 6 H HIS 6 15.096 19.650 0.199 40 HA HIS 6 HA HIS 6 15.080 16.921 -0.186 41 HB2 HIS 6 2HB HIS 6 15.904 18.400 1.813 42 HB3 HIS 6 1HB HIS 6 14.302 18.098 2.470 43 HD1 HIS 6 HD1 HIS 6 17.346 17.044 3.289 44 HD2 HIS 6 HD2 HIS 6 14.085 14.883 1.873 45 HE1 HIS 6 HE1 HIS 6 17.712 14.682 4.060 46 HE2 HIS 6 HE2 HIS 6 15.614 13.458 3.406 47 H HIS 7 H HIS 7 13.488 15.481 -0.551 48 HA HIS 7 HA HIS 7 10.773 16.159 0.336 49 HB2 HIS 7 2HB HIS 7 9.874 15.488 -1.882 50 HB3 HIS 7 1HB HIS 7 10.858 16.938 -1.934 51 HD1 HIS 7 HD1 HIS 7 10.306 13.921 -3.727 52 HD2 HIS 7 HD2 HIS 7 13.658 16.223 -2.847 53 HE1 HIS 7 HE1 HIS 7 12.034 13.284 -5.435 54 HE2 HIS 7 HE2 HIS 7 13.981 14.822 -5.002 55 H HIS 8 H HIS 8 9.787 14.564 1.321 56 HA HIS 8 HA HIS 8 10.795 11.834 1.116 57 HB2 HIS 8 2HB HIS 8 8.582 13.041 2.798 58 HB3 HIS 8 1HB HIS 8 9.074 11.355 2.864 59 HD1 HIS 8 HD1 HIS 8 10.153 14.792 3.883 60 HD2 HIS 8 HD2 HIS 8 11.422 10.851 4.277 61 HE1 HIS 8 HE1 HIS 8 11.926 14.826 5.667 62 HE2 HIS 8 HE2 HIS 8 12.577 12.414 5.992 63 H SER 9 H SER 9 10.006 12.178 -1.292 64 HA SER 9 HA SER 9 7.197 11.963 -1.753 65 HB2 SER 9 2HB SER 9 9.486 11.391 -3.647 66 HB3 SER 9 1HB SER 9 7.803 11.661 -4.095 67 HG SER 9 HG SER 9 7.968 13.771 -3.247 68 H HIS 10 H HIS 10 9.856 9.642 -1.611 69 HA HIS 10 HA HIS 10 7.905 7.488 -1.975 70 HB2 HIS 10 2HB HIS 10 9.791 5.981 -2.355 71 HB3 HIS 10 1HB HIS 10 9.885 7.358 -3.444 72 HD1 HIS 10 HD1 HIS 10 11.959 5.344 -1.393 73 HD2 HIS 10 HD2 HIS 10 11.766 9.422 -2.223 74 HE1 HIS 10 HE1 HIS 10 14.213 6.283 -0.766 75 HE2 HIS 10 HE2 HIS 10 14.011 8.776 -1.117 76 H MET 11 H MET 11 7.099 6.568 -0.229 77 HA MET 11 HA MET 11 8.803 6.206 2.124 78 HB2 MET 11 2HB MET 11 6.035 7.420 2.294 79 HB3 MET 11 1HB MET 11 7.077 7.019 3.650 80 HG2 MET 11 2HG MET 11 8.723 8.682 2.737 81 HG3 MET 11 1HG MET 11 7.476 9.170 1.593 82 HE1 MET 11 3HE MET 11 4.900 8.702 3.536 83 HE2 MET 11 1HE MET 11 5.047 10.045 2.403 84 HE3 MET 11 2HE MET 11 4.648 10.355 4.094 85 H LYS 12 H LYS 12 7.684 4.759 3.740 86 HA LYS 12 HA LYS 12 6.449 2.546 2.330 87 HB2 LYS 12 2HB LYS 12 7.327 2.882 5.202 88 HB3 LYS 12 1HB LYS 12 6.576 1.425 4.576 89 HG2 LYS 12 2HG LYS 12 8.461 1.181 2.996 90 HG3 LYS 12 1HG LYS 12 9.223 2.591 3.743 91 HD2 LYS 12 2HD LYS 12 9.275 1.452 5.889 92 HD3 LYS 12 1HD LYS 12 8.452 0.057 5.192 93 HE2 LYS 12 2HE LYS 12 10.366 -0.282 3.681 94 HE3 LYS 12 1HE LYS 12 11.189 1.081 4.443 95 HZ1 LYS 12 3HZ LYS 12 11.928 -1.022 5.371 96 HZ2 LYS 12 1HZ LYS 12 10.338 -1.420 5.815 97 HZ3 LYS 12 2HZ LYS 12 11.126 -0.108 6.551 98 H PHE 13 H PHE 13 4.380 1.852 2.576 99 HA PHE 13 HA PHE 13 2.740 3.207 4.609 100 HB2 PHE 13 2HB PHE 13 0.765 2.877 3.175 101 HB3 PHE 13 1HB PHE 13 1.974 3.871 2.376 102 HD1 PHE 13 HD1 PHE 13 3.331 2.912 0.534 103 HD2 PHE 13 HD2 PHE 13 0.069 0.805 2.272 104 HE1 PHE 13 HE1 PHE 13 3.251 1.425 -1.423 105 HE2 PHE 13 HE2 PHE 13 -0.010 -0.687 0.318 106 HZ PHE 13 HZ PHE 13 1.583 -0.379 -1.531 107 H LEU 14 H LEU 14 1.504 1.913 5.923 108 HA LEU 14 HA LEU 14 2.373 -0.865 5.945 109 HB2 LEU 14 2HB LEU 14 2.600 0.508 7.984 110 HB3 LEU 14 1HB LEU 14 0.860 0.714 8.025 111 HG LEU 14 HG LEU 14 0.623 -1.755 8.294 112 HD11 LEU 14 1HD1 LEU 14 2.592 -3.047 8.948 113 HD12 LEU 14 2HD1 LEU 14 3.619 -1.652 8.615 114 HD13 LEU 14 3HD1 LEU 14 2.736 -2.433 7.302 115 HD21 LEU 14 3HD2 LEU 14 2.273 -0.328 10.373 116 HD22 LEU 14 1HD2 LEU 14 1.327 -1.791 10.642 117 HD23 LEU 14 2HD2 LEU 14 0.517 -0.283 10.219 118 H VAL 15 H VAL 15 1.158 -2.208 4.799 119 HA VAL 15 HA VAL 15 -1.762 -1.933 4.956 120 HB VAL 15 HB VAL 15 -1.734 -3.611 3.023 121 HG11 VAL 15 1HG1 VAL 15 -0.607 -0.849 2.592 122 HG12 VAL 15 2HG1 VAL 15 -2.314 -1.264 2.755 123 HG13 VAL 15 3HG1 VAL 15 -1.395 -1.845 1.368 124 HG21 VAL 15 3HG2 VAL 15 0.587 -4.334 3.222 125 HG22 VAL 15 1HG2 VAL 15 1.142 -2.696 2.879 126 HG23 VAL 15 2HG2 VAL 15 0.292 -3.616 1.638 127 H GLU 16 H GLU 16 -2.783 -3.244 6.258 128 HA GLU 16 HA GLU 16 -1.485 -5.709 7.139 129 HB2 GLU 16 2HB GLU 16 -2.413 -4.244 8.872 130 HB3 GLU 16 1HB GLU 16 -3.999 -4.338 8.118 131 HG2 GLU 16 2HG GLU 16 -4.084 -6.731 8.579 132 HG3 GLU 16 1HG GLU 16 -2.487 -6.644 9.323 133 H ASN 17 H ASN 17 -1.778 -7.300 5.683 134 HA ASN 17 HA ASN 17 -4.149 -7.602 4.131 135 HB2 ASN 17 2HB ASN 17 -1.886 -8.475 3.471 136 HB3 ASN 17 1HB ASN 17 -2.044 -9.695 4.728 137 HD21 ASN 17 1HD2 ASN 17 -1.703 -10.073 1.910 138 HD22 ASN 17 2HD2 ASN 17 -3.080 -10.965 1.356 139 H LEU 18 H LEU 18 -6.025 -8.383 4.769 140 HA LEU 18 HA LEU 18 -6.515 -9.081 7.444 141 HB2 LEU 18 2HB LEU 18 -8.165 -8.069 5.887 142 HB3 LEU 18 1HB LEU 18 -8.267 -9.602 5.042 143 HG LEU 18 HG LEU 18 -9.115 -10.658 7.126 144 HD11 LEU 18 1HD1 LEU 18 -8.121 -9.111 8.732 145 HD12 LEU 18 2HD1 LEU 18 -9.866 -9.239 8.959 146 HD13 LEU 18 3HD1 LEU 18 -9.182 -7.825 8.156 147 HD21 LEU 18 3HD2 LEU 18 -11.343 -9.707 6.995 148 HD22 LEU 18 1HD2 LEU 18 -10.639 -9.837 5.382 149 HD23 LEU 18 2HD2 LEU 18 -10.707 -8.272 6.193 150 H ASN 19 H ASN 19 -5.725 -11.036 4.676 151 HA ASN 19 HA ASN 19 -6.026 -13.436 6.366 152 HB2 ASN 19 2HB ASN 19 -6.498 -13.238 3.378 153 HB3 ASN 19 1HB ASN 19 -6.554 -14.726 4.322 154 HD21 ASN 19 1HD2 ASN 19 -8.269 -15.055 5.768 155 HD22 ASN 19 2HD2 ASN 19 -9.743 -14.147 5.642 156 H GLY 20 H GLY 20 -3.760 -11.574 5.760 157 HA2 GLY 20 2HA GLY 20 -1.844 -13.641 4.937 158 HA3 GLY 20 1HA GLY 20 -1.830 -12.095 4.100 159 H SER 21 H SER 21 -0.474 -10.606 4.855 160 HA SER 21 HA SER 21 0.348 -10.714 7.665 161 HB2 SER 21 2HB SER 21 1.950 -12.004 6.205 162 HB3 SER 21 1HB SER 21 2.304 -10.496 5.365 163 HG SER 21 HG SER 21 3.799 -11.003 7.059 164 H SER 22 H SER 22 1.457 -8.720 8.358 165 HA SER 22 HA SER 22 0.418 -6.393 6.924 166 HB2 SER 22 2HB SER 22 -0.014 -6.669 9.383 167 HB3 SER 22 1HB SER 22 1.719 -6.505 9.659 168 HG SER 22 HG SER 22 0.383 -4.540 8.170 169 H PHE 23 H PHE 23 1.730 -5.580 5.445 170 HA PHE 23 HA PHE 23 4.636 -5.724 5.910 171 HB2 PHE 23 2HB PHE 23 3.840 -7.252 4.128 172 HB3 PHE 23 1HB PHE 23 3.159 -5.876 3.271 173 HD1 PHE 23 HD1 PHE 23 6.369 -7.244 4.547 174 HD2 PHE 23 HD2 PHE 23 4.438 -4.719 1.720 175 HE1 PHE 23 HE1 PHE 23 8.506 -6.934 3.371 176 HE2 PHE 23 HE2 PHE 23 6.575 -4.402 0.541 177 HZ PHE 23 HZ PHE 23 8.613 -5.511 1.365 178 H GLU 24 H GLU 24 5.885 -3.941 5.360 179 HA GLU 24 HA GLU 24 4.355 -1.497 4.808 180 HB2 GLU 24 2HB GLU 24 6.830 -0.610 5.566 181 HB3 GLU 24 1HB GLU 24 5.436 -0.750 6.619 182 HG2 GLU 24 2HG GLU 24 7.323 -1.715 7.710 183 HG3 GLU 24 1HG GLU 24 6.205 -3.004 7.278 184 H LEU 25 H LEU 25 4.259 -1.356 2.671 185 HA LEU 25 HA LEU 25 6.602 -1.951 1.037 186 HB2 LEU 25 2HB LEU 25 4.264 -2.798 0.537 187 HB3 LEU 25 1HB LEU 25 3.830 -1.150 0.145 188 HG LEU 25 HG LEU 25 6.088 -2.492 -1.310 189 HD11 LEU 25 1HD1 LEU 25 4.475 -3.257 -2.992 190 HD12 LEU 25 2HD1 LEU 25 3.151 -2.744 -1.947 191 HD13 LEU 25 3HD1 LEU 25 4.220 -4.048 -1.437 192 HD21 LEU 25 3HD2 LEU 25 5.363 -0.996 -3.114 193 HD22 LEU 25 1HD2 LEU 25 5.771 -0.101 -1.650 194 HD23 LEU 25 2HD2 LEU 25 4.081 -0.374 -2.075 195 H GLU 26 H GLU 26 7.775 -0.408 -0.048 196 HA GLU 26 HA GLU 26 7.150 2.365 0.619 197 HB2 GLU 26 2HB GLU 26 9.470 1.522 0.959 198 HB3 GLU 26 1HB GLU 26 9.600 1.273 -0.778 199 HG2 GLU 26 2HG GLU 26 9.185 3.691 -1.109 200 HG3 GLU 26 1HG GLU 26 9.197 3.897 0.640 201 H VAL 27 H VAL 27 6.162 3.656 -0.736 202 HA VAL 27 HA VAL 27 6.417 3.177 -3.624 203 HB VAL 27 HB VAL 27 4.201 2.328 -2.664 204 HG11 VAL 27 1HG1 VAL 27 2.470 3.972 -2.223 205 HG12 VAL 27 2HG1 VAL 27 3.630 5.280 -2.456 206 HG13 VAL 27 3HG1 VAL 27 3.816 4.169 -1.100 207 HG21 VAL 27 3HG2 VAL 27 4.516 2.720 -5.041 208 HG22 VAL 27 1HG2 VAL 27 4.127 4.428 -4.830 209 HG23 VAL 27 2HG2 VAL 27 2.892 3.200 -4.547 210 H ASP 28 H ASP 28 6.123 5.102 -4.904 211 HA ASP 28 HA ASP 28 6.813 7.522 -3.425 212 HB2 ASP 28 2HB ASP 28 8.152 6.871 -5.411 213 HB3 ASP 28 1HB ASP 28 6.719 7.060 -6.415 214 H TYR 29 H TYR 29 5.617 9.388 -3.463 215 HA TYR 29 HA TYR 29 2.848 9.171 -3.452 216 HB2 TYR 29 2HB TYR 29 4.785 11.416 -3.344 217 HB3 TYR 29 1HB TYR 29 3.119 11.825 -3.722 218 HD1 TYR 29 HD1 TYR 29 1.319 10.861 -2.113 219 HD2 TYR 29 HD2 TYR 29 5.435 11.229 -1.117 220 HE1 TYR 29 HE1 TYR 29 0.732 10.813 0.272 221 HE2 TYR 29 HE2 TYR 29 4.867 11.176 1.277 222 HH TYR 29 HH TYR 29 1.756 10.284 2.407 223 H ARG 30 H ARG 30 4.978 9.870 -6.122 224 HA ARG 30 HA ARG 30 2.908 11.034 -7.756 225 HB2 ARG 30 2HB ARG 30 5.214 11.732 -8.059 226 HB3 ARG 30 1HB ARG 30 5.697 10.086 -8.432 227 HG2 ARG 30 2HG ARG 30 4.289 10.159 -10.452 228 HG3 ARG 30 1HG ARG 30 3.893 11.839 -10.087 229 HD2 ARG 30 2HD ARG 30 6.160 12.513 -10.352 230 HD3 ARG 30 1HD ARG 30 6.705 10.839 -10.442 231 HE ARG 30 HE ARG 30 4.905 11.178 -12.516 232 HH11 ARG 30 1HH1 ARG 30 7.937 12.628 -11.529 233 HH12 ARG 30 2HH1 ARG 30 8.483 12.902 -13.156 234 HH21 ARG 30 1HH2 ARG 30 5.642 11.517 -14.665 235 HH22 ARG 30 2HH2 ARG 30 7.196 12.244 -14.932 236 H ASP 31 H ASP 31 3.642 7.875 -6.853 237 HA ASP 31 HA ASP 31 2.916 6.631 -9.354 238 HB2 ASP 31 2HB ASP 31 4.226 5.714 -7.084 239 HB3 ASP 31 1HB ASP 31 2.661 4.919 -7.008 240 H THR 32 H THR 32 1.088 5.045 -9.377 241 HA THR 32 HA THR 32 -1.239 6.254 -8.053 242 HB THR 32 HB THR 32 -1.407 6.880 -10.332 243 HG1 THR 32 HG1 THR 32 -3.383 6.124 -9.581 244 HG21 THR 32 3HG2 THR 32 -1.260 5.300 -12.189 245 HG22 THR 32 1HG2 THR 32 -0.882 4.002 -11.054 246 HG23 THR 32 2HG2 THR 32 0.239 5.350 -11.260 247 H LEU 33 H LEU 33 -3.073 4.830 -7.746 248 HA LEU 33 HA LEU 33 -2.273 2.569 -6.303 249 HB2 LEU 33 2HB LEU 33 -5.018 3.350 -7.261 250 HB3 LEU 33 1HB LEU 33 -4.684 2.145 -6.030 251 HG LEU 33 HG LEU 33 -4.039 5.088 -5.824 252 HD11 LEU 33 1HD1 LEU 33 -6.136 3.425 -4.444 253 HD12 LEU 33 2HD1 LEU 33 -6.428 4.635 -5.693 254 HD13 LEU 33 3HD1 LEU 33 -5.787 5.123 -4.125 255 HD21 LEU 33 3HD2 LEU 33 -3.486 4.558 -3.483 256 HD22 LEU 33 1HD2 LEU 33 -2.413 3.745 -4.625 257 HD23 LEU 33 2HD2 LEU 33 -3.707 2.843 -3.838 258 H LEU 34 H LEU 34 -3.453 2.914 -9.574 259 HA LEU 34 HA LEU 34 -4.089 0.216 -10.061 260 HB2 LEU 34 2HB LEU 34 -4.768 2.100 -11.501 261 HB3 LEU 34 1HB LEU 34 -3.101 2.299 -12.007 262 HG LEU 34 HG LEU 34 -3.155 0.044 -13.021 263 HD11 LEU 34 1HD1 LEU 34 -6.078 0.113 -12.284 264 HD12 LEU 34 2HD1 LEU 34 -4.858 -0.959 -11.593 265 HD13 LEU 34 3HD1 LEU 34 -5.295 -1.099 -13.297 266 HD21 LEU 34 3HD2 LEU 34 -3.631 2.008 -14.379 267 HD22 LEU 34 1HD2 LEU 34 -5.339 1.909 -13.945 268 HD23 LEU 34 2HD2 LEU 34 -4.598 0.631 -14.907 269 H VAL 35 H VAL 35 -1.033 1.831 -9.811 270 HA VAL 35 HA VAL 35 0.373 -0.320 -11.185 271 HB VAL 35 HB VAL 35 1.454 2.174 -9.867 272 HG11 VAL 35 1HG1 VAL 35 2.855 0.078 -11.525 273 HG12 VAL 35 2HG1 VAL 35 3.100 0.384 -9.805 274 HG13 VAL 35 3HG1 VAL 35 3.566 1.602 -10.994 275 HG21 VAL 35 3HG2 VAL 35 1.859 2.921 -12.165 276 HG22 VAL 35 1HG2 VAL 35 0.144 2.633 -11.871 277 HG23 VAL 35 2HG2 VAL 35 1.094 1.453 -12.774 278 H VAL 36 H VAL 36 0.382 1.177 -7.932 279 HA VAL 36 HA VAL 36 2.101 -0.689 -6.760 280 HB VAL 36 HB VAL 36 1.500 1.457 -5.704 281 HG11 VAL 36 1HG1 VAL 36 -0.565 1.694 -4.444 282 HG12 VAL 36 2HG1 VAL 36 -1.110 0.118 -5.022 283 HG13 VAL 36 3HG1 VAL 36 -0.890 1.447 -6.159 284 HG21 VAL 36 3HG2 VAL 36 1.410 0.633 -3.392 285 HG22 VAL 36 1HG2 VAL 36 2.561 -0.272 -4.376 286 HG23 VAL 36 2HG2 VAL 36 0.988 -0.970 -3.992 287 H LYS 37 H LYS 37 -1.325 -0.932 -7.468 288 HA LYS 37 HA LYS 37 -1.900 -3.166 -5.836 289 HB2 LYS 37 2HB LYS 37 -3.158 -1.962 -8.250 290 HB3 LYS 37 1HB LYS 37 -3.629 -3.594 -7.798 291 HG2 LYS 37 2HG LYS 37 -4.049 -2.598 -5.463 292 HG3 LYS 37 1HG LYS 37 -4.016 -1.036 -6.288 293 HD2 LYS 37 2HD LYS 37 -5.832 -1.669 -7.705 294 HD3 LYS 37 1HD LYS 37 -5.764 -3.336 -7.135 295 HE2 LYS 37 2HE LYS 37 -6.338 -2.482 -4.852 296 HE3 LYS 37 1HE LYS 37 -6.612 -0.900 -5.581 297 HZ1 LYS 37 3HZ LYS 37 -8.309 -1.882 -6.998 298 HZ2 LYS 37 1HZ LYS 37 -8.675 -2.141 -5.360 299 HZ3 LYS 37 2HZ LYS 37 -8.048 -3.403 -6.295 300 H GLN 38 H GLN 38 -0.225 -2.866 -8.857 301 HA GLN 38 HA GLN 38 -0.465 -5.573 -9.706 302 HB2 GLN 38 2HB GLN 38 1.693 -3.541 -10.330 303 HB3 GLN 38 1HB GLN 38 1.419 -5.043 -11.203 304 HG2 GLN 38 2HG GLN 38 -0.655 -4.273 -12.056 305 HG3 GLN 38 1HG GLN 38 -0.649 -2.876 -10.981 306 HE21 GLN 38 1HE2 GLN 38 -0.837 -1.417 -12.633 307 HE22 GLN 38 2HE2 GLN 38 0.448 -1.079 -13.743 308 H LYS 39 H LYS 39 1.529 -3.873 -7.461 309 HA LYS 39 HA LYS 39 3.508 -5.947 -7.182 310 HB2 LYS 39 2HB LYS 39 2.907 -3.613 -5.354 311 HB3 LYS 39 1HB LYS 39 4.363 -4.595 -5.347 312 HG2 LYS 39 2HG LYS 39 4.914 -3.772 -7.593 313 HG3 LYS 39 1HG LYS 39 3.467 -2.759 -7.558 314 HD2 LYS 39 2HD LYS 39 5.414 -1.446 -6.966 315 HD3 LYS 39 1HD LYS 39 4.348 -1.605 -5.570 316 HE2 LYS 39 2HE LYS 39 6.626 -1.911 -4.858 317 HE3 LYS 39 1HE LYS 39 5.778 -3.454 -4.749 318 HZ1 LYS 39 3HZ LYS 39 6.780 -4.112 -6.848 319 HZ2 LYS 39 1HZ LYS 39 7.978 -3.707 -5.715 320 HZ3 LYS 39 2HZ LYS 39 7.584 -2.622 -6.954 321 H ILE 40 H ILE 40 0.813 -4.685 -5.259 322 HA ILE 40 HA ILE 40 1.099 -6.473 -3.104 323 HB ILE 40 HB ILE 40 -1.399 -5.043 -4.029 324 HG12 ILE 40 2HG1 ILE 40 0.707 -4.218 -2.015 325 HG13 ILE 40 1HG1 ILE 40 0.506 -3.526 -3.621 326 HG21 ILE 40 1HG2 ILE 40 -2.159 -5.291 -1.728 327 HG22 ILE 40 2HG2 ILE 40 -0.698 -6.198 -1.334 328 HG23 ILE 40 3HG2 ILE 40 -1.870 -6.864 -2.471 329 HD11 ILE 40 3HD1 ILE 40 -1.717 -2.719 -2.973 330 HD12 ILE 40 1HD1 ILE 40 -0.440 -2.073 -1.943 331 HD13 ILE 40 2HD1 ILE 40 -1.469 -3.379 -1.356 332 H GLU 41 H GLU 41 -0.757 -6.667 -6.109 333 HA GLU 41 HA GLU 41 -2.217 -8.989 -5.605 334 HB2 GLU 41 2HB GLU 41 -2.584 -7.656 -7.611 335 HB3 GLU 41 1HB GLU 41 -0.973 -8.048 -8.197 336 HG2 GLU 41 2HG GLU 41 -1.696 -10.468 -8.170 337 HG3 GLU 41 1HG GLU 41 -3.333 -9.876 -7.912 338 H ARG 42 H ARG 42 1.098 -8.543 -6.630 339 HA ARG 42 HA ARG 42 1.459 -11.349 -7.215 340 HB2 ARG 42 2HB ARG 42 2.437 -9.287 -8.453 341 HB3 ARG 42 1HB ARG 42 3.637 -9.290 -7.173 342 HG2 ARG 42 2HG ARG 42 4.517 -11.344 -7.837 343 HG3 ARG 42 1HG ARG 42 3.094 -11.739 -8.809 344 HD2 ARG 42 2HD ARG 42 5.122 -9.575 -9.379 345 HD3 ARG 42 1HD ARG 42 4.930 -11.090 -10.262 346 HE ARG 42 HE ARG 42 2.558 -10.152 -10.698 347 HH11 ARG 42 1HH1 ARG 42 5.522 -8.277 -10.579 348 HH12 ARG 42 2HH1 ARG 42 4.882 -6.982 -11.550 349 HH21 ARG 42 1HH2 ARG 42 1.739 -8.480 -11.998 350 HH22 ARG 42 2HH2 ARG 42 2.736 -7.109 -12.377 351 H SER 43 H SER 43 2.543 -9.013 -4.785 352 HA SER 43 HA SER 43 4.224 -10.963 -3.481 353 HB2 SER 43 2HB SER 43 3.465 -8.163 -2.619 354 HB3 SER 43 1HB SER 43 4.756 -9.148 -1.932 355 HG SER 43 HG SER 43 5.592 -9.202 -4.186 356 H GLN 44 H GLN 44 1.109 -9.374 -2.794 357 HA GLN 44 HA GLN 44 0.892 -10.904 -0.312 358 HB2 GLN 44 2HB GLN 44 -0.758 -8.655 -1.457 359 HB3 GLN 44 1HB GLN 44 -1.201 -9.523 0.008 360 HG2 GLN 44 2HG GLN 44 1.395 -8.053 -0.383 361 HG3 GLN 44 1HG GLN 44 -0.024 -7.387 0.423 362 HE21 GLN 44 1HE2 GLN 44 2.709 -7.985 1.398 363 HE22 GLN 44 2HE2 GLN 44 2.489 -8.997 2.779 364 H HIS 45 H HIS 45 0.179 -11.365 -3.477 365 HA HIS 45 HA HIS 45 -0.819 -13.099 -4.538 366 HB2 HIS 45 2HB HIS 45 -1.476 -14.105 -1.761 367 HB3 HIS 45 1HB HIS 45 -1.615 -15.037 -3.245 368 HD1 HIS 45 HD1 HIS 45 0.545 -15.998 -4.253 369 HD2 HIS 45 HD2 HIS 45 1.154 -13.728 -0.822 370 HE1 HIS 45 HE1 HIS 45 2.927 -16.433 -3.561 371 HE2 HIS 45 HE2 HIS 45 3.327 -14.883 -1.609 372 H ILE 46 H ILE 46 -2.389 -10.654 -3.508 373 HA ILE 46 HA ILE 46 -5.059 -11.854 -3.810 374 HB ILE 46 HB ILE 46 -5.948 -9.776 -2.707 375 HG12 ILE 46 2HG1 ILE 46 -3.038 -9.413 -1.929 376 HG13 ILE 46 1HG1 ILE 46 -3.936 -8.365 -3.021 377 HG21 ILE 46 1HG2 ILE 46 -5.762 -11.923 -1.561 378 HG22 ILE 46 2HG2 ILE 46 -5.480 -10.577 -0.457 379 HG23 ILE 46 3HG2 ILE 46 -4.118 -11.520 -1.064 380 HD11 ILE 46 3HD1 ILE 46 -3.734 -7.409 -0.786 381 HD12 ILE 46 1HD1 ILE 46 -4.576 -8.806 -0.112 382 HD13 ILE 46 2HD1 ILE 46 -5.416 -7.714 -1.216 383 HA PRO 47 HA PRO 47 -5.104 -10.007 -7.847 384 HB2 PRO 47 2HB PRO 47 -8.036 -10.322 -7.430 385 HB3 PRO 47 1HB PRO 47 -7.026 -10.838 -8.787 386 HG2 PRO 47 2HG PRO 47 -7.884 -12.616 -7.018 387 HG3 PRO 47 1HG PRO 47 -6.227 -12.703 -7.648 388 HD2 PRO 47 2HD PRO 47 -7.197 -11.704 -4.997 389 HD3 PRO 47 1HD PRO 47 -5.746 -12.652 -5.383 390 H VAL 48 H VAL 48 -6.032 -8.196 -8.974 391 HA VAL 48 HA VAL 48 -5.865 -5.836 -7.477 392 HB VAL 48 HB VAL 48 -6.948 -6.268 -10.266 393 HG11 VAL 48 1HG1 VAL 48 -7.735 -4.142 -9.352 394 HG12 VAL 48 2HG1 VAL 48 -6.547 -3.891 -10.632 395 HG13 VAL 48 3HG1 VAL 48 -6.077 -3.702 -8.942 396 HG21 VAL 48 3HG2 VAL 48 -4.224 -5.415 -9.290 397 HG22 VAL 48 1HG2 VAL 48 -4.726 -5.519 -10.980 398 HG23 VAL 48 2HG2 VAL 48 -4.636 -6.979 -9.994 399 H SER 49 H SER 49 -8.716 -7.507 -8.799 400 HA SER 49 HA SER 49 -10.565 -5.506 -7.994 401 HB2 SER 49 2HB SER 49 -12.279 -7.288 -8.429 402 HB3 SER 49 1HB SER 49 -11.166 -7.025 -9.772 403 HG SER 49 HG SER 49 -10.238 -8.932 -9.415 404 H LYS 50 H LYS 50 -9.105 -8.209 -6.393 405 HA LYS 50 HA LYS 50 -11.066 -8.211 -4.257 406 HB2 LYS 50 2HB LYS 50 -8.590 -9.876 -4.710 407 HB3 LYS 50 1HB LYS 50 -9.671 -10.067 -3.335 408 HG2 LYS 50 2HG LYS 50 -11.514 -10.569 -4.891 409 HG3 LYS 50 1HG LYS 50 -10.374 -10.460 -6.234 410 HD2 LYS 50 2HD LYS 50 -9.118 -12.321 -5.396 411 HD3 LYS 50 1HD LYS 50 -10.076 -12.363 -3.915 412 HE2 LYS 50 2HE LYS 50 -12.080 -12.850 -5.296 413 HE3 LYS 50 1HE LYS 50 -11.032 -12.942 -6.712 414 HZ1 LYS 50 3HZ LYS 50 -9.828 -14.751 -5.656 415 HZ2 LYS 50 1HZ LYS 50 -11.478 -15.130 -5.804 416 HZ3 LYS 50 2HZ LYS 50 -10.846 -14.663 -4.300 417 H GLN 51 H GLN 51 -8.317 -6.509 -4.994 418 HA GLN 51 HA GLN 51 -7.279 -6.206 -2.338 419 HB2 GLN 51 2HB GLN 51 -6.732 -4.998 -5.006 420 HB3 GLN 51 1HB GLN 51 -6.211 -4.115 -3.578 421 HG2 GLN 51 2HG GLN 51 -4.832 -5.939 -2.876 422 HG3 GLN 51 1HG GLN 51 -5.472 -6.970 -4.154 423 HE21 GLN 51 1HE2 GLN 51 -4.690 -6.798 -6.185 424 HE22 GLN 51 2HE2 GLN 51 -3.332 -5.813 -6.610 425 H THR 52 H THR 52 -9.086 -5.613 -1.120 426 HA THR 52 HA THR 52 -10.497 -3.163 -1.685 427 HB THR 52 HB THR 52 -10.481 -4.725 0.907 428 HG1 THR 52 HG1 THR 52 -11.272 -6.246 -0.371 429 HG21 THR 52 3HG2 THR 52 -11.499 -2.490 1.002 430 HG22 THR 52 1HG2 THR 52 -12.705 -3.762 1.203 431 HG23 THR 52 2HG2 THR 52 -12.558 -2.921 -0.340 432 H LEU 53 H LEU 53 -9.165 -1.419 -1.624 433 HA LEU 53 HA LEU 53 -7.070 -1.183 0.329 434 HB2 LEU 53 2HB LEU 53 -8.112 0.820 -1.676 435 HB3 LEU 53 1HB LEU 53 -6.658 1.011 -0.714 436 HG LEU 53 HG LEU 53 -7.103 -1.114 -2.812 437 HD11 LEU 53 1HD1 LEU 53 -5.408 0.114 -4.078 438 HD12 LEU 53 2HD1 LEU 53 -5.384 1.362 -2.831 439 HD13 LEU 53 3HD1 LEU 53 -6.844 1.097 -3.786 440 HD21 LEU 53 3HD2 LEU 53 -5.653 -1.879 -1.000 441 HD22 LEU 53 1HD2 LEU 53 -4.649 -0.439 -1.194 442 HD23 LEU 53 2HD2 LEU 53 -4.745 -1.630 -2.491 443 H ILE 54 H ILE 54 -8.114 -1.151 2.328 444 HA ILE 54 HA ILE 54 -10.033 0.984 2.830 445 HB ILE 54 HB ILE 54 -8.961 -1.087 4.756 446 HG12 ILE 54 2HG1 ILE 54 -11.568 -1.063 3.214 447 HG13 ILE 54 1HG1 ILE 54 -10.186 -2.088 2.843 448 HG21 ILE 54 1HG2 ILE 54 -9.833 0.884 5.877 449 HG22 ILE 54 2HG2 ILE 54 -10.925 -0.481 6.110 450 HG23 ILE 54 3HG2 ILE 54 -11.326 0.780 4.944 451 HD11 ILE 54 3HD1 ILE 54 -11.875 -3.327 4.047 452 HD12 ILE 54 1HD1 ILE 54 -11.822 -2.157 5.365 453 HD13 ILE 54 2HD1 ILE 54 -10.417 -3.169 5.027 454 H VAL 55 H VAL 55 -8.888 2.857 2.762 455 HA VAL 55 HA VAL 55 -6.548 3.110 4.514 456 HB VAL 55 HB VAL 55 -7.585 5.034 2.421 457 HG11 VAL 55 1HG1 VAL 55 -6.366 6.187 4.170 458 HG12 VAL 55 2HG1 VAL 55 -5.403 6.142 2.692 459 HG13 VAL 55 3HG1 VAL 55 -5.028 5.046 4.021 460 HG21 VAL 55 3HG2 VAL 55 -5.634 4.321 1.100 461 HG22 VAL 55 1HG2 VAL 55 -6.769 3.001 1.386 462 HG23 VAL 55 2HG2 VAL 55 -5.275 3.098 2.319 463 H ASP 56 H ASP 56 -6.781 3.994 6.430 464 HA ASP 56 HA ASP 56 -7.539 5.210 8.193 465 HB2 ASP 56 2HB ASP 56 -7.572 7.153 6.649 466 HB3 ASP 56 1HB ASP 56 -9.211 6.729 6.173 467 H GLY 57 H GLY 57 -10.442 5.320 6.196 468 HA2 GLY 57 2HA GLY 57 -11.594 3.011 7.485 469 HA3 GLY 57 1HA GLY 57 -12.354 4.533 7.935 470 H ILE 58 H ILE 58 -11.023 4.468 4.803 471 HA ILE 58 HA ILE 58 -13.708 4.112 3.648 472 HB ILE 58 HB ILE 58 -11.627 6.154 2.832 473 HG12 ILE 58 2HG1 ILE 58 -12.809 6.777 4.895 474 HG13 ILE 58 1HG1 ILE 58 -13.253 7.836 3.560 475 HG21 ILE 58 1HG2 ILE 58 -14.360 5.609 1.684 476 HG22 ILE 58 2HG2 ILE 58 -12.811 5.330 0.888 477 HG23 ILE 58 3HG2 ILE 58 -13.331 6.975 1.256 478 HD11 ILE 58 3HD1 ILE 58 -14.887 5.545 4.631 479 HD12 ILE 58 1HD1 ILE 58 -15.334 6.579 3.274 480 HD13 ILE 58 2HD1 ILE 58 -15.192 7.263 4.894 481 H VAL 59 H VAL 59 -13.803 2.688 2.034 482 HA VAL 59 HA VAL 59 -11.412 1.436 1.044 483 HB VAL 59 HB VAL 59 -13.353 0.038 1.278 484 HG11 VAL 59 1HG1 VAL 59 -14.750 1.866 -0.675 485 HG12 VAL 59 2HG1 VAL 59 -15.105 1.715 1.045 486 HG13 VAL 59 3HG1 VAL 59 -15.395 0.353 -0.036 487 HG21 VAL 59 3HG2 VAL 59 -13.535 -0.909 -0.984 488 HG22 VAL 59 1HG2 VAL 59 -11.868 -0.537 -0.545 489 HG23 VAL 59 2HG2 VAL 59 -12.752 0.530 -1.636 490 H ILE 60 H ILE 60 -10.171 2.265 -0.475 491 HA ILE 60 HA ILE 60 -11.114 4.453 -2.105 492 HB ILE 60 HB ILE 60 -8.435 3.059 -2.260 493 HG12 ILE 60 2HG1 ILE 60 -8.803 3.889 0.013 494 HG13 ILE 60 1HG1 ILE 60 -7.607 4.885 -0.810 495 HG21 ILE 60 1HG2 ILE 60 -8.975 4.410 -4.208 496 HG22 ILE 60 2HG2 ILE 60 -7.696 5.175 -3.263 497 HG23 ILE 60 3HG2 ILE 60 -9.349 5.787 -3.170 498 HD11 ILE 60 3HD1 ILE 60 -9.115 6.260 0.483 499 HD12 ILE 60 1HD1 ILE 60 -10.503 5.574 -0.361 500 HD13 ILE 60 2HD1 ILE 60 -9.341 6.570 -1.238 501 H LEU 61 H LEU 61 -12.157 4.175 -3.932 502 HA LEU 61 HA LEU 61 -12.052 1.575 -5.266 503 HB2 LEU 61 2HB LEU 61 -13.935 3.903 -5.655 504 HB3 LEU 61 1HB LEU 61 -14.072 2.339 -6.433 505 HG LEU 61 HG LEU 61 -14.302 2.832 -3.464 506 HD11 LEU 61 1HD1 LEU 61 -16.666 2.330 -3.783 507 HD12 LEU 61 2HD1 LEU 61 -16.412 2.196 -5.524 508 HD13 LEU 61 3HD1 LEU 61 -16.186 3.747 -4.717 509 HD21 LEU 61 3HD2 LEU 61 -14.699 0.336 -5.107 510 HD22 LEU 61 1HD2 LEU 61 -15.069 0.501 -3.390 511 HD23 LEU 61 2HD2 LEU 61 -13.401 0.633 -3.950 512 H ARG 62 H ARG 62 -11.265 4.933 -5.744 513 HA ARG 62 HA ARG 62 -11.009 4.680 -8.604 514 HB2 ARG 62 2HB ARG 62 -10.170 6.931 -6.774 515 HB3 ARG 62 1HB ARG 62 -10.220 7.002 -8.529 516 HG2 ARG 62 2HG ARG 62 -12.563 6.678 -6.668 517 HG3 ARG 62 1HG ARG 62 -12.161 8.094 -7.640 518 HD2 ARG 62 2HD ARG 62 -12.466 6.736 -9.684 519 HD3 ARG 62 1HD ARG 62 -12.946 5.372 -8.675 520 HE ARG 62 HE ARG 62 -14.520 7.711 -8.163 521 HH11 ARG 62 1HH1 ARG 62 -14.164 4.942 -10.294 522 HH12 ARG 62 2HH1 ARG 62 -15.818 4.992 -10.821 523 HH21 ARG 62 1HH2 ARG 62 -16.678 7.765 -8.871 524 HH22 ARG 62 2HH2 ARG 62 -17.243 6.591 -10.023 525 H GLU 63 H GLU 63 -9.440 3.405 -9.289 526 HA GLU 63 HA GLU 63 -6.896 3.249 -7.907 527 HB2 GLU 63 2HB GLU 63 -7.768 1.849 -10.438 528 HB3 GLU 63 1HB GLU 63 -6.417 1.414 -9.401 529 HG2 GLU 63 2HG GLU 63 -7.911 0.782 -7.630 530 HG3 GLU 63 1HG GLU 63 -9.300 1.358 -8.551 531 H ASP 64 H ASP 64 -8.264 5.054 -10.396 532 HA ASP 64 HA ASP 64 -5.956 5.399 -12.040 533 HB2 ASP 64 2HB ASP 64 -8.259 5.793 -12.860 534 HB3 ASP 64 1HB ASP 64 -8.393 7.178 -11.779 535 H LEU 65 H LEU 65 -7.116 6.854 -9.123 536 HA LEU 65 HA LEU 65 -5.684 9.306 -9.323 537 HB2 LEU 65 2HB LEU 65 -6.832 7.880 -6.922 538 HB3 LEU 65 1HB LEU 65 -6.173 9.503 -6.889 539 HG LEU 65 HG LEU 65 -8.601 8.613 -8.448 540 HD11 LEU 65 1HD1 LEU 65 -9.841 9.992 -6.887 541 HD12 LEU 65 2HD1 LEU 65 -8.352 10.408 -6.039 542 HD13 LEU 65 3HD1 LEU 65 -8.944 8.747 -6.018 543 HD21 LEU 65 3HD2 LEU 65 -7.352 10.364 -9.614 544 HD22 LEU 65 1HD2 LEU 65 -7.363 11.348 -8.151 545 HD23 LEU 65 2HD2 LEU 65 -8.878 10.982 -8.978 546 H THR 66 H THR 66 -3.890 9.962 -8.003 547 HA THR 66 HA THR 66 -1.948 7.808 -7.685 548 HB THR 66 HB THR 66 -0.255 9.613 -7.606 549 HG1 THR 66 HG1 THR 66 -0.845 11.721 -7.729 550 HG21 THR 66 3HG2 THR 66 -2.124 9.797 -9.972 551 HG22 THR 66 1HG2 THR 66 -0.850 8.594 -9.756 552 HG23 THR 66 2HG2 THR 66 -0.433 10.298 -9.947 553 H VAL 67 H VAL 67 -0.441 7.954 -5.821 554 HA VAL 67 HA VAL 67 -1.844 7.766 -3.413 555 HB VAL 67 HB VAL 67 1.125 8.236 -3.760 556 HG11 VAL 67 1HG1 VAL 67 1.352 7.105 -1.609 557 HG12 VAL 67 2HG1 VAL 67 -0.403 6.968 -1.489 558 HG13 VAL 67 3HG1 VAL 67 0.361 8.556 -1.461 559 HG21 VAL 67 3HG2 VAL 67 1.339 5.806 -3.733 560 HG22 VAL 67 1HG2 VAL 67 0.342 6.340 -5.087 561 HG23 VAL 67 2HG2 VAL 67 -0.416 5.643 -3.654 562 H GLU 68 H GLU 68 0.030 10.419 -4.761 563 HA GLU 68 HA GLU 68 0.044 12.052 -2.460 564 HB2 GLU 68 2HB GLU 68 1.582 12.309 -4.380 565 HB3 GLU 68 1HB GLU 68 0.237 12.872 -5.358 566 HG2 GLU 68 2HG GLU 68 -0.023 14.816 -3.978 567 HG3 GLU 68 1HG GLU 68 1.210 14.232 -2.859 568 H GLN 69 H GLN 69 -2.176 11.851 -5.210 569 HA GLN 69 HA GLN 69 -3.646 14.182 -4.434 570 HB2 GLN 69 2HB GLN 69 -4.266 11.997 -6.419 571 HB3 GLN 69 1HB GLN 69 -5.273 13.418 -6.179 572 HG2 GLN 69 2HG GLN 69 -3.374 14.848 -6.791 573 HG3 GLN 69 1HG GLN 69 -2.401 13.406 -7.079 574 HE21 GLN 69 1HE2 GLN 69 -2.816 12.133 -8.863 575 HE22 GLN 69 2HE2 GLN 69 -3.789 12.681 -10.192 576 H CYS 70 H CYS 70 -3.594 11.024 -3.289 577 HA CYS 70 HA CYS 70 -6.303 11.252 -2.198 578 HB2 CYS 70 2HB CYS 70 -5.545 9.094 -3.251 579 HB3 CYS 70 1HB CYS 70 -4.373 8.935 -1.950 580 HG CYS 70 HG CYS 70 -7.725 9.171 -1.314 581 H GLN 71 H GLN 71 -3.193 12.125 -1.497 582 HA GLN 71 HA GLN 71 -2.013 12.714 0.351 583 HB2 GLN 71 2HB GLN 71 -4.837 13.183 1.273 584 HB3 GLN 71 1HB GLN 71 -3.460 13.549 2.302 585 HG2 GLN 71 2HG GLN 71 -3.935 14.707 -0.438 586 HG3 GLN 71 1HG GLN 71 -4.300 15.513 1.087 587 HE21 GLN 71 1HE2 GLN 71 -1.801 14.480 -1.094 588 HE22 GLN 71 2HE2 GLN 71 -0.514 15.369 -0.350 589 H ILE 72 H ILE 72 -2.104 10.025 0.064 590 HA ILE 72 HA ILE 72 -2.952 8.704 2.455 591 HB ILE 72 HB ILE 72 -1.045 7.742 0.312 592 HG12 ILE 72 2HG1 ILE 72 -4.006 7.237 0.702 593 HG13 ILE 72 1HG1 ILE 72 -3.307 8.281 -0.530 594 HG21 ILE 72 1HG2 ILE 72 -1.511 5.504 1.183 595 HG22 ILE 72 2HG2 ILE 72 -2.517 6.203 2.452 596 HG23 ILE 72 3HG2 ILE 72 -0.785 6.528 2.422 597 HD11 ILE 72 3HD1 ILE 72 -3.938 6.161 -1.483 598 HD12 ILE 72 1HD1 ILE 72 -2.950 5.305 -0.298 599 HD13 ILE 72 2HD1 ILE 72 -2.181 6.331 -1.509 600 H VAL 73 H VAL 73 -2.030 9.246 4.310 601 HA VAL 73 HA VAL 73 0.839 9.755 4.430 602 HB VAL 73 HB VAL 73 0.395 10.422 6.786 603 HG11 VAL 73 1HG1 VAL 73 0.412 12.090 5.016 604 HG12 VAL 73 2HG1 VAL 73 -0.796 12.497 6.238 605 HG13 VAL 73 3HG1 VAL 73 -1.298 11.792 4.701 606 HG21 VAL 73 3HG2 VAL 73 -1.921 10.736 7.519 607 HG22 VAL 73 1HG2 VAL 73 -1.565 9.037 7.217 608 HG23 VAL 73 2HG2 VAL 73 -2.491 9.967 6.039 609 HA PRO 74 HA PRO 74 1.780 5.715 5.877 610 HB2 PRO 74 2HB PRO 74 4.060 6.186 7.260 611 HB3 PRO 74 1HB PRO 74 3.982 6.270 5.495 612 HG2 PRO 74 2HG PRO 74 3.894 8.486 7.506 613 HG3 PRO 74 1HG PRO 74 4.790 8.393 5.979 614 HD2 PRO 74 2HD PRO 74 2.456 9.744 6.226 615 HD3 PRO 74 1HD PRO 74 2.947 8.946 4.719 616 H THR 75 H THR 75 0.901 8.194 7.976 617 HA THR 75 HA THR 75 1.147 6.565 10.384 618 HB THR 75 HB THR 75 1.867 8.946 10.432 619 HG1 THR 75 HG1 THR 75 0.756 7.652 12.270 620 HG21 THR 75 3HG2 THR 75 -1.079 9.530 10.119 621 HG22 THR 75 1HG2 THR 75 0.181 9.896 8.940 622 HG23 THR 75 2HG2 THR 75 0.171 10.713 10.503 623 H SER 76 H SER 76 -0.940 6.667 7.956 624 HA SER 76 HA SER 76 -3.396 6.687 9.530 625 HB2 SER 76 2HB SER 76 -3.285 7.823 7.283 626 HB3 SER 76 1HB SER 76 -3.070 6.234 6.552 627 HG SER 76 HG SER 76 -5.338 7.436 7.191 628 H ASP 77 H ASP 77 -4.953 4.860 9.073 629 HA ASP 77 HA ASP 77 -3.490 2.338 9.358 630 HB2 ASP 77 2HB ASP 77 -5.038 2.900 11.173 631 HB3 ASP 77 1HB ASP 77 -6.363 3.024 10.024 632 H ILE 78 H ILE 78 -3.273 1.189 7.570 633 HA ILE 78 HA ILE 78 -5.466 1.224 5.601 634 HB ILE 78 HB ILE 78 -2.542 0.681 5.046 635 HG12 ILE 78 2HG1 ILE 78 -4.182 3.145 4.417 636 HG13 ILE 78 1HG1 ILE 78 -2.978 3.037 5.696 637 HG21 ILE 78 1HG2 ILE 78 -3.203 0.843 2.696 638 HG22 ILE 78 2HG2 ILE 78 -4.881 1.086 3.182 639 HG23 ILE 78 3HG2 ILE 78 -4.079 -0.448 3.520 640 HD11 ILE 78 3HD1 ILE 78 -1.238 2.662 4.035 641 HD12 ILE 78 1HD1 ILE 78 -2.105 4.167 3.730 642 HD13 ILE 78 2HD1 ILE 78 -2.443 2.740 2.749 643 H GLN 79 H GLN 79 -6.533 -0.620 5.454 644 HA GLN 79 HA GLN 79 -5.123 -3.118 6.139 645 HB2 GLN 79 2HB GLN 79 -8.090 -2.563 6.341 646 HB3 GLN 79 1HB GLN 79 -7.284 -4.062 6.781 647 HG2 GLN 79 2HG GLN 79 -6.016 -2.769 8.506 648 HG3 GLN 79 1HG GLN 79 -7.055 -1.392 8.138 649 HE21 GLN 79 1HE2 GLN 79 -6.847 -4.516 9.604 650 HE22 GLN 79 2HE2 GLN 79 -8.400 -4.490 10.367 651 H LEU 80 H LEU 80 -5.325 -4.857 4.784 652 HA LEU 80 HA LEU 80 -6.581 -4.315 2.181 653 HB2 LEU 80 2HB LEU 80 -4.466 -6.314 2.974 654 HB3 LEU 80 1HB LEU 80 -5.194 -6.237 1.384 655 HG LEU 80 HG LEU 80 -3.548 -4.050 2.659 656 HD11 LEU 80 1HD1 LEU 80 -1.873 -4.661 0.984 657 HD12 LEU 80 2HD1 LEU 80 -2.891 -6.003 0.458 658 HD13 LEU 80 3HD1 LEU 80 -2.209 -5.998 2.085 659 HD21 LEU 80 3HD2 LEU 80 -3.611 -3.059 0.399 660 HD22 LEU 80 1HD2 LEU 80 -5.203 -3.136 1.152 661 HD23 LEU 80 2HD2 LEU 80 -4.760 -4.303 -0.093 662 H GLU 81 H GLU 81 -8.668 -4.912 2.523 663 HA GLU 81 HA GLU 81 -9.288 -7.399 3.858 664 HB2 GLU 81 2HB GLU 81 -10.725 -5.380 4.102 665 HB3 GLU 81 1HB GLU 81 -11.138 -5.502 2.397 666 HG2 GLU 81 2HG GLU 81 -12.203 -7.633 2.768 667 HG3 GLU 81 1HG GLU 81 -11.697 -7.622 4.456 668 H VAL 82 H VAL 82 -8.994 -9.240 2.813 669 HA VAL 82 HA VAL 82 -8.847 -9.437 -0.015 670 HB VAL 82 HB VAL 82 -9.182 -11.671 1.994 671 HG11 VAL 82 1HG1 VAL 82 -8.114 -11.696 -0.828 672 HG12 VAL 82 2HG1 VAL 82 -9.659 -12.361 -0.295 673 HG13 VAL 82 3HG1 VAL 82 -8.147 -13.071 0.273 674 HG21 VAL 82 3HG2 VAL 82 -6.738 -11.870 1.893 675 HG22 VAL 82 1HG2 VAL 82 -7.248 -10.313 2.544 676 HG23 VAL 82 2HG2 VAL 82 -6.671 -10.428 0.881 677 H SER 83 H SER 83 -10.578 -9.087 -1.202 678 HA SER 83 HA SER 83 -13.240 -9.631 -0.324 679 HB2 SER 83 2HB SER 83 -12.652 -7.761 -1.851 680 HB3 SER 83 1HB SER 83 -12.223 -8.935 -3.092 681 HG SER 83 HG SER 83 -14.323 -8.213 -3.428 682 H SER 84 H SER 84 -14.642 -11.216 -1.026 683 HA SER 84 HA SER 84 -13.458 -13.431 -2.556 684 HB2 SER 84 2HB SER 84 -15.561 -13.563 -0.376 685 HB3 SER 84 1HB SER 84 -14.977 -14.937 -1.314 686 HG SER 84 HG SER 84 -14.002 -14.371 0.890 Start of MODEL 8 1 H1 MET 1 1H MET 1 9.139 28.185 -3.884 2 H2 MET 1 2H MET 1 8.821 28.427 -5.532 3 H3 MET 1 3H MET 1 9.965 29.398 -4.735 4 HA MET 1 HA MET 1 10.183 26.484 -5.204 5 HB2 MET 1 2HB MET 1 10.487 27.796 -7.257 6 HB3 MET 1 1HB MET 1 11.674 28.809 -6.447 7 HG2 MET 1 2HG MET 1 13.115 26.828 -6.149 8 HG3 MET 1 1HG MET 1 11.942 25.870 -7.049 9 HE1 MET 1 3HE MET 1 12.101 27.524 -10.594 10 HE2 MET 1 1HE MET 1 10.990 27.908 -9.279 11 HE3 MET 1 2HE MET 1 11.398 26.228 -9.626 12 H GLY 2 H GLY 2 10.993 25.725 -3.359 13 HA2 GLY 2 2HA GLY 2 13.619 26.131 -2.610 14 HA3 GLY 2 1HA GLY 2 12.674 27.256 -1.641 15 H HIS 3 H HIS 3 13.658 24.020 -2.087 16 HA HIS 3 HA HIS 3 12.455 23.353 0.485 17 HB2 HIS 3 2HB HIS 3 11.725 21.108 -0.346 18 HB3 HIS 3 1HB HIS 3 10.800 22.445 -1.008 19 HD1 HIS 3 HD1 HIS 3 13.092 19.678 -1.972 20 HD2 HIS 3 HD2 HIS 3 11.147 22.880 -3.775 21 HE1 HIS 3 HE1 HIS 3 13.223 19.250 -4.447 22 HE2 HIS 3 HE2 HIS 3 11.832 21.071 -5.493 23 H HIS 4 H HIS 4 15.015 24.062 0.003 24 HA HIS 4 HA HIS 4 17.104 23.493 0.659 25 HB2 HIS 4 2HB HIS 4 15.812 20.880 1.456 26 HB3 HIS 4 1HB HIS 4 17.465 21.336 1.846 27 HD1 HIS 4 HD1 HIS 4 14.095 21.478 3.126 28 HD2 HIS 4 HD2 HIS 4 17.548 23.763 3.528 29 HE1 HIS 4 HE1 HIS 4 13.764 22.848 5.208 30 HE2 HIS 4 HE2 HIS 4 15.969 24.019 5.559 31 H HIS 5 H HIS 5 15.769 22.501 -2.006 32 HA HIS 5 HA HIS 5 16.462 21.529 -3.936 33 HB2 HIS 5 2HB HIS 5 18.564 22.802 -3.405 34 HB3 HIS 5 1HB HIS 5 19.193 21.352 -2.634 35 HD1 HIS 5 HD1 HIS 5 20.614 19.954 -4.105 36 HD2 HIS 5 HD2 HIS 5 17.891 22.235 -6.274 37 HE1 HIS 5 HE1 HIS 5 21.129 19.506 -6.526 38 HE2 HIS 5 HE2 HIS 5 19.574 21.012 -7.814 39 H HIS 6 H HIS 6 15.845 19.924 -1.310 40 HA HIS 6 HA HIS 6 16.662 17.322 -2.435 41 HB2 HIS 6 2HB HIS 6 16.505 18.095 0.482 42 HB3 HIS 6 1HB HIS 6 16.646 16.435 -0.082 43 HD1 HIS 6 HD1 HIS 6 18.937 15.795 -1.261 44 HD2 HIS 6 HD2 HIS 6 18.835 19.505 0.611 45 HE1 HIS 6 HE1 HIS 6 21.335 16.513 -1.046 46 HE2 HIS 6 HE2 HIS 6 21.220 18.859 -0.133 47 H HIS 7 H HIS 7 15.211 15.588 -2.125 48 HA HIS 7 HA HIS 7 12.783 15.926 -0.670 49 HB2 HIS 7 2HB HIS 7 11.178 15.769 -2.464 50 HB3 HIS 7 1HB HIS 7 12.215 17.154 -2.773 51 HD1 HIS 7 HD1 HIS 7 10.703 14.434 -4.463 52 HD2 HIS 7 HD2 HIS 7 14.407 16.316 -4.713 53 HE1 HIS 7 HE1 HIS 7 11.635 13.806 -6.717 54 HE2 HIS 7 HE2 HIS 7 13.800 15.079 -6.903 55 H HIS 8 H HIS 8 12.409 14.001 0.200 56 HA HIS 8 HA HIS 8 13.588 11.640 -1.042 57 HB2 HIS 8 2HB HIS 8 12.286 12.059 1.658 58 HB3 HIS 8 1HB HIS 8 12.850 10.491 1.083 59 HD1 HIS 8 HD1 HIS 8 13.912 12.815 3.378 60 HD2 HIS 8 HD2 HIS 8 15.805 11.119 0.079 61 HE1 HIS 8 HE1 HIS 8 16.379 13.058 3.804 62 HE2 HIS 8 HE2 HIS 8 17.503 11.920 1.862 63 H SER 9 H SER 9 12.219 11.401 -2.816 64 HA SER 9 HA SER 9 9.373 11.270 -2.425 65 HB2 SER 9 2HB SER 9 9.530 10.637 -4.956 66 HB3 SER 9 1HB SER 9 9.919 12.281 -4.444 67 HG SER 9 HG SER 9 11.506 10.407 -5.606 68 H HIS 10 H HIS 10 9.934 9.421 -0.823 69 HA HIS 10 HA HIS 10 8.816 7.092 -2.072 70 HB2 HIS 10 2HB HIS 10 10.468 5.480 -1.480 71 HB3 HIS 10 1HB HIS 10 11.333 6.765 -2.309 72 HD1 HIS 10 HD1 HIS 10 13.127 8.032 -0.967 73 HD2 HIS 10 HD2 HIS 10 11.012 5.240 1.276 74 HE1 HIS 10 HE1 HIS 10 14.366 7.827 1.208 75 HE2 HIS 10 HE2 HIS 10 13.220 5.947 2.419 76 H MET 11 H MET 11 7.646 5.861 -0.587 77 HA MET 11 HA MET 11 7.887 6.509 2.242 78 HB2 MET 11 2HB MET 11 6.373 8.225 1.193 79 HB3 MET 11 1HB MET 11 5.279 6.919 0.771 80 HG2 MET 11 2HG MET 11 6.107 7.364 3.608 81 HG3 MET 11 1HG MET 11 4.822 8.324 2.880 82 HE1 MET 11 3HE MET 11 3.454 6.279 0.922 83 HE2 MET 11 1HE MET 11 2.525 7.309 2.009 84 HE3 MET 11 2HE MET 11 2.195 5.577 1.940 85 H LYS 12 H LYS 12 7.669 4.702 3.375 86 HA LYS 12 HA LYS 12 6.449 2.360 2.124 87 HB2 LYS 12 2HB LYS 12 7.868 2.571 4.787 88 HB3 LYS 12 1HB LYS 12 7.408 1.091 3.962 89 HG2 LYS 12 2HG LYS 12 8.996 1.575 2.183 90 HG3 LYS 12 1HG LYS 12 9.445 3.078 2.986 91 HD2 LYS 12 2HD LYS 12 9.704 0.375 4.293 92 HD3 LYS 12 1HD LYS 12 10.998 1.114 3.353 93 HE2 LYS 12 2HE LYS 12 11.448 1.611 5.627 94 HE3 LYS 12 1HE LYS 12 10.842 3.096 4.903 95 HZ1 LYS 12 3HZ LYS 12 9.868 2.738 7.067 96 HZ2 LYS 12 1HZ LYS 12 9.279 1.213 6.602 97 HZ3 LYS 12 2HZ LYS 12 8.670 2.621 5.881 98 H PHE 13 H PHE 13 4.273 2.288 2.381 99 HA PHE 13 HA PHE 13 3.228 2.964 5.036 100 HB2 PHE 13 2HB PHE 13 1.015 3.060 4.045 101 HB3 PHE 13 1HB PHE 13 2.116 4.084 3.136 102 HD1 PHE 13 HD1 PHE 13 3.214 2.892 1.035 103 HD2 PHE 13 HD2 PHE 13 -0.418 1.707 2.906 104 HE1 PHE 13 HE1 PHE 13 2.500 1.800 -1.048 105 HE2 PHE 13 HE2 PHE 13 -1.135 0.606 0.826 106 HZ PHE 13 HZ PHE 13 0.322 0.651 -1.154 107 H LEU 14 H LEU 14 2.223 1.482 6.296 108 HA LEU 14 HA LEU 14 2.968 -1.236 5.830 109 HB2 LEU 14 2HB LEU 14 2.970 -0.149 8.078 110 HB3 LEU 14 1HB LEU 14 1.219 -0.108 8.015 111 HG LEU 14 HG LEU 14 1.220 -2.603 7.879 112 HD11 LEU 14 1HD1 LEU 14 3.265 -3.798 8.459 113 HD12 LEU 14 2HD1 LEU 14 4.157 -2.276 8.469 114 HD13 LEU 14 3HD1 LEU 14 3.466 -2.883 6.964 115 HD21 LEU 14 3HD2 LEU 14 1.781 -2.944 10.243 116 HD22 LEU 14 1HD2 LEU 14 0.844 -1.470 9.997 117 HD23 LEU 14 2HD2 LEU 14 2.583 -1.374 10.270 118 H VAL 15 H VAL 15 1.886 -2.177 4.206 119 HA VAL 15 HA VAL 15 -0.957 -1.872 3.864 120 HB VAL 15 HB VAL 15 0.819 -3.945 2.568 121 HG11 VAL 15 1HG1 VAL 15 -1.561 -4.343 2.323 122 HG12 VAL 15 2HG1 VAL 15 -0.848 -3.874 0.780 123 HG13 VAL 15 3HG1 VAL 15 -1.789 -2.705 1.709 124 HG21 VAL 15 3HG2 VAL 15 0.250 -1.130 1.644 125 HG22 VAL 15 1HG2 VAL 15 1.083 -2.370 0.704 126 HG23 VAL 15 2HG2 VAL 15 1.805 -1.757 2.193 127 H GLU 16 H GLU 16 -2.038 -2.662 5.616 128 HA GLU 16 HA GLU 16 -1.351 -5.304 6.609 129 HB2 GLU 16 2HB GLU 16 -1.759 -3.522 8.237 130 HB3 GLU 16 1HB GLU 16 -3.389 -3.317 7.610 131 HG2 GLU 16 2HG GLU 16 -4.143 -5.275 8.537 132 HG3 GLU 16 1HG GLU 16 -2.531 -5.989 8.609 133 H ASN 17 H ASN 17 -2.117 -6.923 5.494 134 HA ASN 17 HA ASN 17 -4.680 -6.812 4.148 135 HB2 ASN 17 2HB ASN 17 -2.593 -7.965 3.240 136 HB3 ASN 17 1HB ASN 17 -2.842 -9.193 4.472 137 HD21 ASN 17 1HD2 ASN 17 -2.794 -9.585 1.669 138 HD22 ASN 17 2HD2 ASN 17 -4.347 -10.183 1.197 139 H LEU 18 H LEU 18 -6.531 -7.718 4.869 140 HA LEU 18 HA LEU 18 -6.812 -8.464 7.580 141 HB2 LEU 18 2HB LEU 18 -8.614 -7.512 6.124 142 HB3 LEU 18 1HB LEU 18 -8.698 -9.056 5.297 143 HG LEU 18 HG LEU 18 -9.353 -10.136 7.425 144 HD11 LEU 18 1HD1 LEU 18 -8.303 -8.583 8.973 145 HD12 LEU 18 2HD1 LEU 18 -10.028 -8.731 9.312 146 HD13 LEU 18 3HD1 LEU 18 -9.412 -7.308 8.470 147 HD21 LEU 18 3HD2 LEU 18 -11.620 -9.220 7.491 148 HD22 LEU 18 1HD2 LEU 18 -11.049 -9.413 5.834 149 HD23 LEU 18 2HD2 LEU 18 -11.081 -7.813 6.576 150 H ASN 19 H ASN 19 -6.189 -10.241 4.652 151 HA ASN 19 HA ASN 19 -5.804 -12.658 6.279 152 HB2 ASN 19 2HB ASN 19 -7.953 -12.719 4.876 153 HB3 ASN 19 1HB ASN 19 -6.900 -12.782 3.468 154 HD21 ASN 19 1HD2 ASN 19 -8.047 -14.447 6.272 155 HD22 ASN 19 2HD2 ASN 19 -7.468 -16.022 5.827 156 H GLY 20 H GLY 20 -3.621 -11.788 6.239 157 HA2 GLY 20 2HA GLY 20 -1.934 -13.039 4.405 158 HA3 GLY 20 1HA GLY 20 -2.160 -11.382 3.859 159 H SER 21 H SER 21 -0.484 -10.163 4.445 160 HA SER 21 HA SER 21 0.439 -10.294 7.216 161 HB2 SER 21 2HB SER 21 1.894 -11.780 5.790 162 HB3 SER 21 1HB SER 21 2.348 -10.351 4.864 163 HG SER 21 HG SER 21 2.639 -10.053 7.589 164 H SER 22 H SER 22 1.259 -8.335 7.985 165 HA SER 22 HA SER 22 0.537 -5.989 6.468 166 HB2 SER 22 2HB SER 22 1.954 -6.154 9.145 167 HB3 SER 22 1HB SER 22 1.098 -4.761 8.482 168 HG SER 22 HG SER 22 -0.475 -5.597 9.660 169 H PHE 23 H PHE 23 1.860 -5.426 4.846 170 HA PHE 23 HA PHE 23 4.758 -5.839 5.200 171 HB2 PHE 23 2HB PHE 23 3.808 -7.286 3.493 172 HB3 PHE 23 1HB PHE 23 3.055 -5.909 2.700 173 HD1 PHE 23 HD1 PHE 23 6.379 -7.287 3.636 174 HD2 PHE 23 HD2 PHE 23 4.152 -4.832 0.965 175 HE1 PHE 23 HE1 PHE 23 8.366 -7.045 2.207 176 HE2 PHE 23 HE2 PHE 23 6.137 -4.588 -0.467 177 HZ PHE 23 HZ PHE 23 8.245 -5.698 0.153 178 H GLU 24 H GLU 24 6.100 -4.144 5.016 179 HA GLU 24 HA GLU 24 5.088 -1.499 4.513 180 HB2 GLU 24 2HB GLU 24 7.907 -2.546 4.798 181 HB3 GLU 24 1HB GLU 24 7.507 -0.849 4.613 182 HG2 GLU 24 2HG GLU 24 6.250 -0.925 6.710 183 HG3 GLU 24 1HG GLU 24 6.693 -2.624 6.898 184 H LEU 25 H LEU 25 4.452 -1.062 2.468 185 HA LEU 25 HA LEU 25 6.171 -1.966 0.269 186 HB2 LEU 25 2HB LEU 25 3.477 -2.054 0.491 187 HB3 LEU 25 1HB LEU 25 3.659 -0.501 -0.301 188 HG LEU 25 HG LEU 25 4.685 -3.145 -1.345 189 HD11 LEU 25 1HD1 LEU 25 2.972 -2.862 -3.068 190 HD12 LEU 25 2HD1 LEU 25 2.393 -1.410 -2.253 191 HD13 LEU 25 3HD1 LEU 25 2.267 -2.978 -1.456 192 HD21 LEU 25 3HD2 LEU 25 6.126 -1.287 -2.006 193 HD22 LEU 25 1HD2 LEU 25 4.724 -0.412 -2.625 194 HD23 LEU 25 2HD2 LEU 25 5.228 -1.924 -3.383 195 H GLU 26 H GLU 26 7.758 -0.601 -0.183 196 HA GLU 26 HA GLU 26 7.543 2.223 0.303 197 HB2 GLU 26 2HB GLU 26 9.692 1.056 0.591 198 HB3 GLU 26 1HB GLU 26 9.699 0.643 -1.118 199 HG2 GLU 26 2HG GLU 26 9.853 2.982 -1.715 200 HG3 GLU 26 1HG GLU 26 9.751 3.444 -0.018 201 H VAL 27 H VAL 27 6.242 3.347 -0.976 202 HA VAL 27 HA VAL 27 6.400 2.852 -3.877 203 HB VAL 27 HB VAL 27 4.165 3.891 -4.059 204 HG11 VAL 27 1HG1 VAL 27 2.904 2.008 -3.159 205 HG12 VAL 27 2HG1 VAL 27 4.294 1.543 -2.179 206 HG13 VAL 27 3HG1 VAL 27 4.391 1.473 -3.939 207 HG21 VAL 27 3HG2 VAL 27 4.217 3.837 -1.044 208 HG22 VAL 27 1HG2 VAL 27 2.808 4.206 -2.040 209 HG23 VAL 27 2HG2 VAL 27 4.209 5.276 -2.062 210 H ASP 28 H ASP 28 5.862 4.805 -5.195 211 HA ASP 28 HA ASP 28 7.333 7.137 -4.192 212 HB2 ASP 28 2HB ASP 28 7.802 6.020 -6.460 213 HB3 ASP 28 1HB ASP 28 6.246 6.647 -6.981 214 H TYR 29 H TYR 29 6.307 9.235 -4.272 215 HA TYR 29 HA TYR 29 3.520 9.242 -3.709 216 HB2 TYR 29 2HB TYR 29 5.581 11.380 -4.144 217 HB3 TYR 29 1HB TYR 29 3.878 11.810 -4.053 218 HD1 TYR 29 HD1 TYR 29 2.611 11.417 -1.979 219 HD2 TYR 29 HD2 TYR 29 6.802 10.722 -2.173 220 HE1 TYR 29 HE1 TYR 29 2.713 11.398 0.472 221 HE2 TYR 29 HE2 TYR 29 6.914 10.700 0.288 222 HH TYR 29 HH TYR 29 5.621 11.550 2.202 223 H ARG 30 H ARG 30 5.361 9.277 -6.521 224 HA ARG 30 HA ARG 30 3.419 10.384 -8.317 225 HB2 ARG 30 2HB ARG 30 5.619 10.568 -9.040 226 HB3 ARG 30 1HB ARG 30 6.034 8.944 -8.527 227 HG2 ARG 30 2HG ARG 30 4.675 8.068 -10.415 228 HG3 ARG 30 1HG ARG 30 4.449 9.735 -10.959 229 HD2 ARG 30 2HD ARG 30 6.358 8.408 -12.016 230 HD3 ARG 30 1HD ARG 30 6.728 10.020 -11.404 231 HE ARG 30 HE ARG 30 7.419 8.639 -9.300 232 HH11 ARG 30 1HH1 ARG 30 7.975 7.795 -12.656 233 HH12 ARG 30 2HH1 ARG 30 9.397 6.854 -12.305 234 HH21 ARG 30 1HH2 ARG 30 9.286 7.455 -8.836 235 HH22 ARG 30 2HH2 ARG 30 10.160 6.677 -10.133 236 H ASP 31 H ASP 31 3.843 7.330 -6.791 237 HA ASP 31 HA ASP 31 2.609 5.690 -8.778 238 HB2 ASP 31 2HB ASP 31 3.259 5.319 -5.874 239 HB3 ASP 31 1HB ASP 31 2.176 4.185 -6.666 240 H THR 32 H THR 32 0.512 5.170 -9.089 241 HA THR 32 HA THR 32 -1.476 6.596 -7.479 242 HB THR 32 HB THR 32 -3.069 6.028 -9.275 243 HG1 THR 32 HG1 THR 32 -2.342 4.961 -11.120 244 HG21 THR 32 3HG2 THR 32 -1.811 8.118 -9.440 245 HG22 THR 32 1HG2 THR 32 -2.108 7.436 -11.040 246 HG23 THR 32 2HG2 THR 32 -0.516 7.279 -10.296 247 H LEU 33 H LEU 33 -3.574 5.327 -7.156 248 HA LEU 33 HA LEU 33 -3.040 3.064 -5.590 249 HB2 LEU 33 2HB LEU 33 -5.641 4.040 -6.759 250 HB3 LEU 33 1HB LEU 33 -5.516 2.747 -5.580 251 HG LEU 33 HG LEU 33 -4.735 5.633 -5.147 252 HD11 LEU 33 1HD1 LEU 33 -6.566 5.649 -3.543 253 HD12 LEU 33 2HD1 LEU 33 -6.949 3.976 -3.947 254 HD13 LEU 33 3HD1 LEU 33 -7.154 5.243 -5.157 255 HD21 LEU 33 3HD2 LEU 33 -4.600 3.279 -3.266 256 HD22 LEU 33 1HD2 LEU 33 -4.294 4.961 -2.834 257 HD23 LEU 33 2HD2 LEU 33 -3.223 4.131 -3.964 258 H LEU 34 H LEU 34 -4.013 3.381 -8.957 259 HA LEU 34 HA LEU 34 -4.613 0.663 -9.420 260 HB2 LEU 34 2HB LEU 34 -5.231 2.446 -10.985 261 HB3 LEU 34 1HB LEU 34 -3.537 2.742 -11.327 262 HG LEU 34 HG LEU 34 -3.348 0.492 -12.316 263 HD11 LEU 34 1HD1 LEU 34 -5.066 -0.651 -11.043 264 HD12 LEU 34 2HD1 LEU 34 -5.397 -0.793 -12.770 265 HD13 LEU 34 3HD1 LEU 34 -6.312 0.350 -11.788 266 HD21 LEU 34 3HD2 LEU 34 -3.895 2.444 -13.716 267 HD22 LEU 34 1HD2 LEU 34 -5.611 2.108 -13.481 268 HD23 LEU 34 2HD2 LEU 34 -4.596 0.951 -14.341 269 H VAL 35 H VAL 35 -1.609 2.515 -9.733 270 HA VAL 35 HA VAL 35 -0.099 0.368 -10.811 271 HB VAL 35 HB VAL 35 0.876 2.870 -9.429 272 HG11 VAL 35 1HG1 VAL 35 2.599 1.152 -9.491 273 HG12 VAL 35 2HG1 VAL 35 2.987 2.455 -10.614 274 HG13 VAL 35 3HG1 VAL 35 2.337 0.931 -11.220 275 HG21 VAL 35 3HG2 VAL 35 0.439 2.259 -12.352 276 HG22 VAL 35 1HG2 VAL 35 1.202 3.719 -11.722 277 HG23 VAL 35 2HG2 VAL 35 -0.493 3.386 -11.366 278 H VAL 36 H VAL 36 -0.474 1.651 -7.514 279 HA VAL 36 HA VAL 36 1.477 -0.057 -6.378 280 HB VAL 36 HB VAL 36 0.673 2.002 -5.250 281 HG11 VAL 36 1HG1 VAL 36 -1.395 1.916 -3.929 282 HG12 VAL 36 2HG1 VAL 36 -1.793 0.370 -4.678 283 HG13 VAL 36 3HG1 VAL 36 -1.702 1.829 -5.663 284 HG21 VAL 36 3HG2 VAL 36 0.412 -0.541 -3.656 285 HG22 VAL 36 1HG2 VAL 36 0.667 1.068 -2.979 286 HG23 VAL 36 2HG2 VAL 36 1.904 0.334 -4.000 287 H LYS 37 H LYS 37 -1.963 -0.463 -7.026 288 HA LYS 37 HA LYS 37 -2.354 -2.816 -5.529 289 HB2 LYS 37 2HB LYS 37 -3.732 -1.631 -7.912 290 HB3 LYS 37 1HB LYS 37 -4.179 -3.232 -7.343 291 HG2 LYS 37 2HG LYS 37 -4.936 -2.409 -5.280 292 HG3 LYS 37 1HG LYS 37 -4.131 -0.857 -5.511 293 HD2 LYS 37 2HD LYS 37 -6.534 -0.634 -5.831 294 HD3 LYS 37 1HD LYS 37 -5.677 -0.332 -7.340 295 HE2 LYS 37 2HE LYS 37 -7.618 -1.669 -7.794 296 HE3 LYS 37 1HE LYS 37 -6.179 -2.657 -8.033 297 HZ1 LYS 37 3HZ LYS 37 -6.545 -3.717 -5.935 298 HZ2 LYS 37 1HZ LYS 37 -7.981 -3.803 -6.827 299 HZ3 LYS 37 2HZ LYS 37 -7.832 -2.686 -5.565 300 H GLN 38 H GLN 38 -0.922 -2.269 -8.668 301 HA GLN 38 HA GLN 38 -0.830 -5.020 -9.439 302 HB2 GLN 38 2HB GLN 38 1.037 -2.815 -10.334 303 HB3 GLN 38 1HB GLN 38 0.680 -4.316 -11.178 304 HG2 GLN 38 2HG GLN 38 -1.253 -2.063 -10.692 305 HG3 GLN 38 1HG GLN 38 -0.428 -2.411 -12.209 306 HE21 GLN 38 1HE2 GLN 38 -3.267 -2.275 -11.603 307 HE22 GLN 38 2HE2 GLN 38 -3.939 -3.807 -12.059 308 H LYS 39 H LYS 39 1.061 -2.961 -7.416 309 HA LYS 39 HA LYS 39 3.362 -4.731 -7.355 310 HB2 LYS 39 2HB LYS 39 2.767 -2.145 -5.899 311 HB3 LYS 39 1HB LYS 39 4.286 -3.023 -5.793 312 HG2 LYS 39 2HG LYS 39 4.740 -2.655 -8.114 313 HG3 LYS 39 1HG LYS 39 3.144 -1.951 -8.364 314 HD2 LYS 39 2HD LYS 39 3.725 -0.068 -6.939 315 HD3 LYS 39 1HD LYS 39 5.297 -0.797 -6.588 316 HE2 LYS 39 2HE LYS 39 5.927 -0.633 -8.924 317 HE3 LYS 39 1HE LYS 39 4.335 -0.002 -9.337 318 HZ1 LYS 39 3HZ LYS 39 6.212 1.652 -9.105 319 HZ2 LYS 39 1HZ LYS 39 6.130 1.395 -7.436 320 HZ3 LYS 39 2HZ LYS 39 4.787 2.020 -8.264 321 H ILE 40 H ILE 40 0.488 -4.129 -5.546 322 HA ILE 40 HA ILE 40 1.369 -5.384 -3.110 323 HB ILE 40 HB ILE 40 -1.413 -4.731 -4.112 324 HG12 ILE 40 2HG1 ILE 40 0.329 -3.318 -2.080 325 HG13 ILE 40 1HG1 ILE 40 0.048 -2.772 -3.729 326 HG21 ILE 40 1HG2 ILE 40 -1.420 -6.559 -2.463 327 HG22 ILE 40 2HG2 ILE 40 -2.198 -5.097 -1.858 328 HG23 ILE 40 3HG2 ILE 40 -0.568 -5.513 -1.326 329 HD11 ILE 40 3HD1 ILE 40 -2.338 -2.519 -3.221 330 HD12 ILE 40 1HD1 ILE 40 -1.319 -1.525 -2.179 331 HD13 ILE 40 2HD1 ILE 40 -2.023 -3.019 -1.560 332 H GLU 41 H GLU 41 0.043 -6.375 -6.110 333 HA GLU 41 HA GLU 41 -1.490 -8.573 -5.520 334 HB2 GLU 41 2HB GLU 41 -1.303 -7.487 -7.723 335 HB3 GLU 41 1HB GLU 41 0.300 -8.174 -7.923 336 HG2 GLU 41 2HG GLU 41 -1.888 -10.079 -7.388 337 HG3 GLU 41 1HG GLU 41 -1.917 -9.253 -8.945 338 H ARG 42 H ARG 42 1.994 -8.649 -6.347 339 HA ARG 42 HA ARG 42 2.250 -11.445 -6.065 340 HB2 ARG 42 2HB ARG 42 3.868 -10.139 -7.320 341 HB3 ARG 42 1HB ARG 42 4.325 -9.259 -5.870 342 HG2 ARG 42 2HG ARG 42 5.015 -11.530 -4.923 343 HG3 ARG 42 1HG ARG 42 4.900 -12.109 -6.588 344 HD2 ARG 42 2HD ARG 42 7.180 -11.451 -6.069 345 HD3 ARG 42 1HD ARG 42 6.487 -10.385 -7.290 346 HE ARG 42 HE ARG 42 6.014 -9.165 -4.861 347 HH11 ARG 42 1HH1 ARG 42 8.813 -10.175 -6.696 348 HH12 ARG 42 2HH1 ARG 42 9.856 -8.959 -6.022 349 HH21 ARG 42 1HH2 ARG 42 7.374 -7.527 -4.000 350 HH22 ARG 42 2HH2 ARG 42 9.028 -7.422 -4.523 351 H SER 43 H SER 43 3.085 -8.803 -3.842 352 HA SER 43 HA SER 43 4.320 -10.487 -1.942 353 HB2 SER 43 2HB SER 43 3.245 -7.685 -1.562 354 HB3 SER 43 1HB SER 43 4.434 -8.497 -0.542 355 HG SER 43 HG SER 43 5.077 -6.987 -2.444 356 H GLN 44 H GLN 44 1.033 -9.194 -2.199 357 HA GLN 44 HA GLN 44 0.335 -10.396 0.357 358 HB2 GLN 44 2HB GLN 44 -1.239 -8.755 -1.619 359 HB3 GLN 44 1HB GLN 44 -1.964 -9.483 -0.193 360 HG2 GLN 44 2HG GLN 44 0.267 -7.463 -0.221 361 HG3 GLN 44 1HG GLN 44 -1.417 -7.157 0.202 362 HE21 GLN 44 1HE2 GLN 44 0.974 -6.754 1.799 363 HE22 GLN 44 2HE2 GLN 44 0.751 -7.693 3.236 364 H HIS 45 H HIS 45 0.609 -11.385 -2.782 365 HA HIS 45 HA HIS 45 0.152 -13.334 -3.838 366 HB2 HIS 45 2HB HIS 45 -0.997 -14.273 -1.201 367 HB3 HIS 45 1HB HIS 45 -0.519 -15.289 -2.555 368 HD1 HIS 45 HD1 HIS 45 2.088 -15.491 -3.000 369 HD2 HIS 45 HD2 HIS 45 1.019 -13.562 0.525 370 HE1 HIS 45 HE1 HIS 45 4.179 -15.430 -1.596 371 HE2 HIS 45 HE2 HIS 45 3.448 -14.436 0.605 372 H ILE 46 H ILE 46 -1.881 -11.131 -3.514 373 HA ILE 46 HA ILE 46 -4.258 -12.717 -4.216 374 HB ILE 46 HB ILE 46 -5.676 -10.943 -3.226 375 HG12 ILE 46 2HG1 ILE 46 -3.081 -9.929 -2.037 376 HG13 ILE 46 1HG1 ILE 46 -4.013 -9.109 -3.286 377 HG21 ILE 46 1HG2 ILE 46 -3.753 -12.303 -1.346 378 HG22 ILE 46 2HG2 ILE 46 -5.261 -12.964 -1.978 379 HG23 ILE 46 3HG2 ILE 46 -5.294 -11.589 -0.872 380 HD11 ILE 46 3HD1 ILE 46 -5.886 -8.889 -1.718 381 HD12 ILE 46 1HD1 ILE 46 -4.419 -8.114 -1.122 382 HD13 ILE 46 2HD1 ILE 46 -4.917 -9.676 -0.473 383 HA PRO 47 HA PRO 47 -4.179 -10.551 -8.084 384 HB2 PRO 47 2HB PRO 47 -6.915 -10.779 -8.548 385 HB3 PRO 47 1HB PRO 47 -5.691 -11.966 -9.003 386 HG2 PRO 47 2HG PRO 47 -7.513 -11.928 -6.645 387 HG3 PRO 47 1HG PRO 47 -6.952 -13.303 -7.614 388 HD2 PRO 47 2HD PRO 47 -5.935 -12.782 -5.186 389 HD3 PRO 47 1HD PRO 47 -4.925 -13.419 -6.502 390 H VAL 48 H VAL 48 -5.409 -8.755 -9.156 391 HA VAL 48 HA VAL 48 -5.169 -6.504 -7.512 392 HB VAL 48 HB VAL 48 -6.515 -6.713 -10.208 393 HG11 VAL 48 1HG1 VAL 48 -5.990 -4.328 -10.425 394 HG12 VAL 48 2HG1 VAL 48 -5.376 -4.316 -8.773 395 HG13 VAL 48 3HG1 VAL 48 -7.084 -4.631 -9.076 396 HG21 VAL 48 3HG2 VAL 48 -4.222 -7.563 -10.219 397 HG22 VAL 48 1HG2 VAL 48 -3.659 -6.057 -9.494 398 HG23 VAL 48 2HG2 VAL 48 -4.352 -6.050 -11.115 399 H SER 49 H SER 49 -8.121 -8.038 -8.829 400 HA SER 49 HA SER 49 -9.837 -6.105 -7.604 401 HB2 SER 49 2HB SER 49 -10.488 -8.801 -8.805 402 HB3 SER 49 1HB SER 49 -11.663 -7.554 -8.383 403 HG SER 49 HG SER 49 -11.047 -7.520 -10.614 404 H LYS 50 H LYS 50 -8.279 -8.880 -6.436 405 HA LYS 50 HA LYS 50 -10.177 -9.494 -4.357 406 HB2 LYS 50 2HB LYS 50 -8.501 -11.100 -5.396 407 HB3 LYS 50 1HB LYS 50 -7.260 -10.265 -4.481 408 HG2 LYS 50 2HG LYS 50 -8.308 -10.918 -2.404 409 HG3 LYS 50 1HG LYS 50 -9.631 -11.683 -3.290 410 HD2 LYS 50 2HD LYS 50 -7.973 -13.195 -4.358 411 HD3 LYS 50 1HD LYS 50 -6.721 -12.477 -3.346 412 HE2 LYS 50 2HE LYS 50 -7.407 -14.520 -2.325 413 HE3 LYS 50 1HE LYS 50 -8.026 -13.191 -1.347 414 HZ1 LYS 50 3HZ LYS 50 -9.699 -14.885 -1.625 415 HZ2 LYS 50 1HZ LYS 50 -9.579 -14.782 -3.315 416 HZ3 LYS 50 2HZ LYS 50 -10.185 -13.473 -2.428 417 H GLN 51 H GLN 51 -7.815 -7.158 -4.923 418 HA GLN 51 HA GLN 51 -7.254 -6.593 -2.125 419 HB2 GLN 51 2HB GLN 51 -6.403 -5.109 -4.617 420 HB3 GLN 51 1HB GLN 51 -5.788 -4.843 -2.993 421 HG2 GLN 51 2HG GLN 51 -4.679 -6.932 -2.979 422 HG3 GLN 51 1HG GLN 51 -5.504 -7.451 -4.450 423 HE21 GLN 51 1HE2 GLN 51 -3.554 -7.830 -5.503 424 HE22 GLN 51 2HE2 GLN 51 -2.572 -6.527 -6.089 425 H THR 52 H THR 52 -9.286 -5.905 -1.345 426 HA THR 52 HA THR 52 -10.524 -3.580 -2.552 427 HB THR 52 HB THR 52 -11.160 -4.911 0.092 428 HG1 THR 52 HG1 THR 52 -11.704 -5.621 -2.533 429 HG21 THR 52 3HG2 THR 52 -13.361 -3.862 -0.216 430 HG22 THR 52 1HG2 THR 52 -12.782 -3.089 -1.689 431 HG23 THR 52 2HG2 THR 52 -12.075 -2.658 -0.131 432 H LEU 53 H LEU 53 -9.926 -1.552 -2.095 433 HA LEU 53 HA LEU 53 -7.850 -1.105 -0.129 434 HB2 LEU 53 2HB LEU 53 -9.184 0.848 -2.008 435 HB3 LEU 53 1HB LEU 53 -7.723 1.136 -1.086 436 HG LEU 53 HG LEU 53 -8.003 -0.893 -3.305 437 HD11 LEU 53 1HD1 LEU 53 -6.629 1.788 -3.248 438 HD12 LEU 53 2HD1 LEU 53 -8.100 1.391 -4.135 439 HD13 LEU 53 3HD1 LEU 53 -6.573 0.628 -4.575 440 HD21 LEU 53 3HD2 LEU 53 -5.585 0.012 -1.748 441 HD22 LEU 53 1HD2 LEU 53 -5.576 -1.086 -3.128 442 HD23 LEU 53 2HD2 LEU 53 -6.367 -1.564 -1.626 443 H ILE 54 H ILE 54 -8.292 -0.559 1.918 444 HA ILE 54 HA ILE 54 -10.636 1.156 2.409 445 HB ILE 54 HB ILE 54 -9.575 -1.055 4.178 446 HG12 ILE 54 2HG1 ILE 54 -12.155 -1.584 4.072 447 HG13 ILE 54 1HG1 ILE 54 -12.072 -0.646 2.586 448 HG21 ILE 54 1HG2 ILE 54 -10.058 0.874 5.554 449 HG22 ILE 54 2HG2 ILE 54 -11.272 -0.379 5.813 450 HG23 ILE 54 3HG2 ILE 54 -11.653 1.027 4.818 451 HD11 ILE 54 3HD1 ILE 54 -11.874 -3.033 2.171 452 HD12 ILE 54 1HD1 ILE 54 -10.442 -3.091 3.200 453 HD13 ILE 54 2HD1 ILE 54 -10.411 -2.168 1.696 454 H VAL 55 H VAL 55 -10.091 3.099 3.121 455 HA VAL 55 HA VAL 55 -7.731 3.332 4.860 456 HB VAL 55 HB VAL 55 -7.144 4.309 2.711 457 HG11 VAL 55 1HG1 VAL 55 -9.362 4.820 1.862 458 HG12 VAL 55 2HG1 VAL 55 -8.326 6.244 1.798 459 HG13 VAL 55 3HG1 VAL 55 -9.546 6.097 3.064 460 HG21 VAL 55 3HG2 VAL 55 -6.535 6.565 3.451 461 HG22 VAL 55 1HG2 VAL 55 -6.250 5.362 4.710 462 HG23 VAL 55 2HG2 VAL 55 -7.658 6.420 4.802 463 H ASP 56 H ASP 56 -8.198 4.062 6.795 464 HA ASP 56 HA ASP 56 -9.249 5.025 8.562 465 HB2 ASP 56 2HB ASP 56 -10.359 6.814 6.398 466 HB3 ASP 56 1HB ASP 56 -10.743 7.036 8.101 467 H GLY 57 H GLY 57 -10.508 2.867 6.841 468 HA2 GLY 57 2HA GLY 57 -12.359 1.520 7.368 469 HA3 GLY 57 1HA GLY 57 -13.102 2.893 8.176 470 H ILE 58 H ILE 58 -12.009 4.098 5.346 471 HA ILE 58 HA ILE 58 -14.648 3.811 4.099 472 HB ILE 58 HB ILE 58 -12.422 5.754 3.450 473 HG12 ILE 58 2HG1 ILE 58 -15.017 6.193 4.946 474 HG13 ILE 58 1HG1 ILE 58 -13.417 6.133 5.676 475 HG21 ILE 58 1HG2 ILE 58 -15.271 5.622 2.468 476 HG22 ILE 58 2HG2 ILE 58 -13.815 5.313 1.521 477 HG23 ILE 58 3HG2 ILE 58 -14.135 6.933 2.139 478 HD11 ILE 58 3HD1 ILE 58 -14.359 8.176 3.679 479 HD12 ILE 58 1HD1 ILE 58 -12.768 8.123 4.438 480 HD13 ILE 58 2HD1 ILE 58 -14.203 8.416 5.419 481 H VAL 59 H VAL 59 -14.926 2.654 2.304 482 HA VAL 59 HA VAL 59 -12.677 1.243 1.189 483 HB VAL 59 HB VAL 59 -14.788 0.059 1.471 484 HG11 VAL 59 1HG1 VAL 59 -15.921 1.973 -0.564 485 HG12 VAL 59 2HG1 VAL 59 -16.349 1.899 1.146 486 HG13 VAL 59 3HG1 VAL 59 -16.740 0.550 0.080 487 HG21 VAL 59 3HG2 VAL 59 -14.089 0.403 -1.442 488 HG22 VAL 59 1HG2 VAL 59 -14.974 -0.953 -0.742 489 HG23 VAL 59 2HG2 VAL 59 -13.287 -0.681 -0.305 490 H ILE 60 H ILE 60 -11.551 1.741 -0.549 491 HA ILE 60 HA ILE 60 -12.512 3.949 -2.252 492 HB ILE 60 HB ILE 60 -9.656 3.069 -1.764 493 HG12 ILE 60 2HG1 ILE 60 -10.632 4.155 0.208 494 HG13 ILE 60 1HG1 ILE 60 -9.415 5.184 -0.538 495 HG21 ILE 60 1HG2 ILE 60 -10.733 5.430 -3.301 496 HG22 ILE 60 2HG2 ILE 60 -9.992 3.988 -3.996 497 HG23 ILE 60 3HG2 ILE 60 -9.031 5.079 -2.999 498 HD11 ILE 60 3HD1 ILE 60 -11.185 6.499 -1.591 499 HD12 ILE 60 1HD1 ILE 60 -11.328 6.482 0.166 500 HD13 ILE 60 2HD1 ILE 60 -12.396 5.477 -0.815 501 H LEU 61 H LEU 61 -13.031 3.435 -4.261 502 HA LEU 61 HA LEU 61 -11.897 0.966 -5.417 503 HB2 LEU 61 2HB LEU 61 -14.596 2.228 -5.911 504 HB3 LEU 61 1HB LEU 61 -13.973 0.828 -6.761 505 HG LEU 61 HG LEU 61 -14.560 0.951 -3.799 506 HD11 LEU 61 1HD1 LEU 61 -16.411 -0.562 -4.334 507 HD12 LEU 61 2HD1 LEU 61 -16.039 -0.404 -6.051 508 HD13 LEU 61 3HD1 LEU 61 -16.591 0.998 -5.138 509 HD21 LEU 61 3HD2 LEU 61 -13.726 -1.361 -5.548 510 HD22 LEU 61 1HD2 LEU 61 -14.164 -1.458 -3.844 511 HD23 LEU 61 2HD2 LEU 61 -12.722 -0.569 -4.335 512 H ARG 62 H ARG 62 -11.314 4.035 -5.483 513 HA ARG 62 HA ARG 62 -11.348 4.398 -8.393 514 HB2 ARG 62 2HB ARG 62 -10.642 6.423 -6.262 515 HB3 ARG 62 1HB ARG 62 -10.904 6.741 -7.971 516 HG2 ARG 62 2HG ARG 62 -12.980 5.805 -5.999 517 HG3 ARG 62 1HG ARG 62 -12.817 7.436 -6.650 518 HD2 ARG 62 2HD ARG 62 -13.287 6.607 -8.890 519 HD3 ARG 62 1HD ARG 62 -13.386 4.957 -8.277 520 HE ARG 62 HE ARG 62 -15.230 6.282 -6.798 521 HH11 ARG 62 1HH1 ARG 62 -14.690 5.939 -10.242 522 HH12 ARG 62 2HH1 ARG 62 -16.362 6.177 -10.654 523 HH21 ARG 62 1HH2 ARG 62 -17.405 6.566 -7.314 524 HH22 ARG 62 2HH2 ARG 62 -17.922 6.521 -8.980 525 H GLU 63 H GLU 63 -9.633 3.375 -9.225 526 HA GLU 63 HA GLU 63 -7.130 3.192 -7.797 527 HB2 GLU 63 2HB GLU 63 -7.849 2.301 -10.593 528 HB3 GLU 63 1HB GLU 63 -6.437 1.801 -9.672 529 HG2 GLU 63 2HG GLU 63 -7.634 0.414 -8.308 530 HG3 GLU 63 1HG GLU 63 -9.123 1.340 -8.501 531 H ASP 64 H ASP 64 -8.526 5.429 -9.843 532 HA ASP 64 HA ASP 64 -6.239 6.243 -11.348 533 HB2 ASP 64 2HB ASP 64 -8.466 6.678 -12.196 534 HB3 ASP 64 1HB ASP 64 -8.865 7.630 -10.770 535 H LEU 65 H LEU 65 -7.347 6.837 -8.166 536 HA LEU 65 HA LEU 65 -6.295 9.430 -7.769 537 HB2 LEU 65 2HB LEU 65 -6.821 7.261 -5.738 538 HB3 LEU 65 1HB LEU 65 -6.543 8.952 -5.376 539 HG LEU 65 HG LEU 65 -8.900 7.849 -6.908 540 HD11 LEU 65 1HD1 LEU 65 -10.195 8.503 -4.953 541 HD12 LEU 65 2HD1 LEU 65 -8.718 9.018 -4.135 542 HD13 LEU 65 3HD1 LEU 65 -8.962 7.316 -4.526 543 HD21 LEU 65 3HD2 LEU 65 -9.788 10.120 -6.764 544 HD22 LEU 65 1HD2 LEU 65 -8.285 10.073 -7.685 545 HD23 LEU 65 2HD2 LEU 65 -8.282 10.663 -6.022 546 H THR 66 H THR 66 -4.285 10.098 -7.469 547 HA THR 66 HA THR 66 -2.096 8.233 -7.199 548 HB THR 66 HB THR 66 -1.852 11.225 -6.967 549 HG1 THR 66 HG1 THR 66 -1.544 10.892 -9.420 550 HG21 THR 66 3HG2 THR 66 -0.087 9.078 -8.151 551 HG22 THR 66 1HG2 THR 66 0.169 9.923 -6.623 552 HG23 THR 66 2HG2 THR 66 0.272 10.805 -8.146 553 H VAL 67 H VAL 67 -0.745 8.021 -5.366 554 HA VAL 67 HA VAL 67 -2.067 8.265 -2.890 555 HB VAL 67 HB VAL 67 0.046 7.584 -1.834 556 HG11 VAL 67 1HG1 VAL 67 -0.629 6.052 -4.341 557 HG12 VAL 67 2HG1 VAL 67 -1.410 5.883 -2.768 558 HG13 VAL 67 3HG1 VAL 67 0.281 5.422 -2.969 559 HG21 VAL 67 3HG2 VAL 67 1.606 8.840 -3.216 560 HG22 VAL 67 1HG2 VAL 67 1.211 7.822 -4.603 561 HG23 VAL 67 2HG2 VAL 67 2.022 7.126 -3.200 562 H GLU 68 H GLU 68 0.247 10.358 -4.510 563 HA GLU 68 HA GLU 68 0.712 12.091 -2.308 564 HB2 GLU 68 2HB GLU 68 2.146 11.976 -4.351 565 HB3 GLU 68 1HB GLU 68 0.854 12.744 -5.258 566 HG2 GLU 68 2HG GLU 68 1.030 14.724 -3.860 567 HG3 GLU 68 1HG GLU 68 2.314 13.957 -2.925 568 H GLN 69 H GLN 69 -1.561 12.109 -4.993 569 HA GLN 69 HA GLN 69 -2.737 14.608 -4.520 570 HB2 GLN 69 2HB GLN 69 -2.973 13.239 -6.598 571 HB3 GLN 69 1HB GLN 69 -4.026 12.146 -5.721 572 HG2 GLN 69 2HG GLN 69 -4.731 15.035 -5.842 573 HG3 GLN 69 1HG GLN 69 -4.987 14.031 -7.267 574 HE21 GLN 69 1HE2 GLN 69 -6.071 14.816 -4.088 575 HE22 GLN 69 2HE2 GLN 69 -7.466 13.790 -4.082 576 H CYS 70 H CYS 70 -3.650 11.357 -3.408 577 HA CYS 70 HA CYS 70 -5.901 12.343 -1.921 578 HB2 CYS 70 2HB CYS 70 -5.846 10.088 -2.959 579 HB3 CYS 70 1HB CYS 70 -4.576 9.623 -1.831 580 HG CYS 70 HG CYS 70 -6.457 10.345 0.369 581 H GLN 71 H GLN 71 -2.650 12.497 -1.364 582 HA GLN 71 HA GLN 71 -1.356 12.989 0.440 583 HB2 GLN 71 2HB GLN 71 -4.052 13.666 1.616 584 HB3 GLN 71 1HB GLN 71 -2.525 14.020 2.410 585 HG2 GLN 71 2HG GLN 71 -3.238 15.041 -0.321 586 HG3 GLN 71 1HG GLN 71 -3.586 15.919 1.166 587 HE21 GLN 71 1HE2 GLN 71 -1.121 14.885 -1.046 588 HE22 GLN 71 2HE2 GLN 71 0.154 15.851 -0.378 589 H ILE 72 H ILE 72 -1.545 10.389 0.173 590 HA ILE 72 HA ILE 72 -2.643 9.046 2.463 591 HB ILE 72 HB ILE 72 -0.783 8.045 0.299 592 HG12 ILE 72 2HG1 ILE 72 -2.980 8.713 -0.547 593 HG13 ILE 72 1HG1 ILE 72 -2.813 6.961 -0.593 594 HG21 ILE 72 1HG2 ILE 72 -2.305 6.480 2.382 595 HG22 ILE 72 2HG2 ILE 72 -0.557 6.714 2.331 596 HG23 ILE 72 3HG2 ILE 72 -1.362 5.795 1.058 597 HD11 ILE 72 3HD1 ILE 72 -4.159 6.770 1.426 598 HD12 ILE 72 1HD1 ILE 72 -5.027 7.643 0.164 599 HD13 ILE 72 2HD1 ILE 72 -4.300 8.526 1.507 600 H VAL 73 H VAL 73 -1.718 8.762 4.371 601 HA VAL 73 HA VAL 73 1.217 8.859 4.554 602 HB VAL 73 HB VAL 73 0.904 9.675 6.924 603 HG11 VAL 73 1HG1 VAL 73 -0.075 11.477 4.713 604 HG12 VAL 73 2HG1 VAL 73 1.607 11.183 5.151 605 HG13 VAL 73 3HG1 VAL 73 0.535 12.013 6.279 606 HG21 VAL 73 3HG2 VAL 73 -1.905 10.208 5.965 607 HG22 VAL 73 1HG2 VAL 73 -1.207 10.787 7.478 608 HG23 VAL 73 2HG2 VAL 73 -1.436 9.057 7.216 609 HA PRO 74 HA PRO 74 0.953 4.791 6.080 610 HB2 PRO 74 2HB PRO 74 3.183 4.605 7.593 611 HB3 PRO 74 1HB PRO 74 3.234 4.737 5.832 612 HG2 PRO 74 2HG PRO 74 3.640 6.856 7.903 613 HG3 PRO 74 1HG PRO 74 4.556 6.554 6.414 614 HD2 PRO 74 2HD PRO 74 2.649 8.481 6.614 615 HD3 PRO 74 1HD PRO 74 3.013 7.635 5.097 616 H THR 75 H THR 75 0.468 7.350 8.187 617 HA THR 75 HA THR 75 0.294 5.681 10.568 618 HB THR 75 HB THR 75 1.288 7.952 10.743 619 HG1 THR 75 HG1 THR 75 -0.498 6.829 12.354 620 HG21 THR 75 3HG2 THR 75 -0.162 9.919 10.687 621 HG22 THR 75 1HG2 THR 75 -1.520 8.911 10.192 622 HG23 THR 75 2HG2 THR 75 -0.134 9.109 9.119 623 H SER 76 H SER 76 -1.677 6.624 8.005 624 HA SER 76 HA SER 76 -4.164 6.793 9.420 625 HB2 SER 76 2HB SER 76 -3.692 6.281 6.472 626 HB3 SER 76 1HB SER 76 -5.183 6.858 7.217 627 HG SER 76 HG SER 76 -4.025 8.744 7.857 628 H ASP 77 H ASP 77 -5.959 5.258 9.027 629 HA ASP 77 HA ASP 77 -5.127 2.562 9.521 630 HB2 ASP 77 2HB ASP 77 -7.108 3.490 10.624 631 HB3 ASP 77 1HB ASP 77 -7.882 3.732 9.063 632 H ILE 78 H ILE 78 -4.177 1.615 7.795 633 HA ILE 78 HA ILE 78 -5.682 1.566 5.262 634 HB ILE 78 HB ILE 78 -2.690 1.215 5.580 635 HG12 ILE 78 2HG1 ILE 78 -4.210 3.603 4.500 636 HG13 ILE 78 1HG1 ILE 78 -3.489 3.530 6.104 637 HG21 ILE 78 1HG2 ILE 78 -3.645 0.048 3.658 638 HG22 ILE 78 2HG2 ILE 78 -2.653 1.412 3.142 639 HG23 ILE 78 3HG2 ILE 78 -4.412 1.543 3.122 640 HD11 ILE 78 3HD1 ILE 78 -2.016 3.375 3.485 641 HD12 ILE 78 1HD1 ILE 78 -1.279 3.270 5.084 642 HD13 ILE 78 2HD1 ILE 78 -2.076 4.759 4.575 643 H GLN 79 H GLN 79 -6.792 -0.295 5.359 644 HA GLN 79 HA GLN 79 -5.229 -2.755 5.725 645 HB2 GLN 79 2HB GLN 79 -7.942 -2.129 6.887 646 HB3 GLN 79 1HB GLN 79 -7.319 -3.766 6.748 647 HG2 GLN 79 2HG GLN 79 -5.449 -3.194 8.195 648 HG3 GLN 79 1HG GLN 79 -6.035 -1.535 8.309 649 HE21 GLN 79 1HE2 GLN 79 -5.600 -3.585 10.390 650 HE22 GLN 79 2HE2 GLN 79 -7.128 -3.738 11.201 651 H LEU 80 H LEU 80 -5.764 -4.452 4.389 652 HA LEU 80 HA LEU 80 -7.639 -3.783 2.224 653 HB2 LEU 80 2HB LEU 80 -5.461 -5.876 2.307 654 HB3 LEU 80 1HB LEU 80 -6.505 -5.548 0.939 655 HG LEU 80 HG LEU 80 -4.411 -3.704 2.086 656 HD11 LEU 80 1HD1 LEU 80 -3.520 -5.545 0.766 657 HD12 LEU 80 2HD1 LEU 80 -3.344 -4.017 -0.094 658 HD13 LEU 80 3HD1 LEU 80 -4.618 -5.147 -0.555 659 HD21 LEU 80 3HD2 LEU 80 -4.976 -2.198 0.245 660 HD22 LEU 80 1HD2 LEU 80 -6.346 -2.423 1.333 661 HD23 LEU 80 2HD2 LEU 80 -6.305 -3.261 -0.219 662 H GLU 81 H GLU 81 -9.593 -4.578 2.571 663 HA GLU 81 HA GLU 81 -9.994 -7.019 4.062 664 HB2 GLU 81 2HB GLU 81 -11.589 -5.145 4.274 665 HB3 GLU 81 1HB GLU 81 -11.987 -5.298 2.569 666 HG2 GLU 81 2HG GLU 81 -12.889 -7.520 2.960 667 HG3 GLU 81 1HG GLU 81 -12.451 -7.409 4.665 668 H VAL 82 H VAL 82 -9.501 -8.842 3.093 669 HA VAL 82 HA VAL 82 -9.158 -9.178 0.343 670 HB VAL 82 HB VAL 82 -8.016 -10.579 1.960 671 HG11 VAL 82 1HG1 VAL 82 -9.181 -12.363 3.172 672 HG12 VAL 82 2HG1 VAL 82 -10.724 -11.753 2.573 673 HG13 VAL 82 3HG1 VAL 82 -9.742 -10.764 3.654 674 HG21 VAL 82 3HG2 VAL 82 -9.844 -12.180 0.182 675 HG22 VAL 82 1HG2 VAL 82 -8.353 -12.769 0.918 676 HG23 VAL 82 2HG2 VAL 82 -8.296 -11.469 -0.275 677 H SER 83 H SER 83 -10.509 -9.541 -1.256 678 HA SER 83 HA SER 83 -13.280 -10.268 -0.699 679 HB2 SER 83 2HB SER 83 -12.736 -8.357 -2.240 680 HB3 SER 83 1HB SER 83 -11.993 -9.515 -3.340 681 HG SER 83 HG SER 83 -13.911 -10.182 -3.960 682 H SER 84 H SER 84 -14.248 -11.923 -2.256 683 HA SER 84 HA SER 84 -12.680 -14.314 -2.171 684 HB2 SER 84 2HB SER 84 -15.360 -13.767 -3.479 685 HB3 SER 84 1HB SER 84 -14.640 -15.364 -3.263 686 HG SER 84 HG SER 84 -14.948 -15.249 -1.120 Start of MODEL 9 1 H1 MET 1 1H MET 1 21.733 22.581 0.376 2 H2 MET 1 2H MET 1 21.345 21.298 -0.666 3 H3 MET 1 3H MET 1 20.820 21.268 0.945 4 HA MET 1 HA MET 1 19.405 23.147 0.579 5 HB2 MET 1 2HB MET 1 20.711 24.286 -1.128 6 HB3 MET 1 1HB MET 1 20.440 22.966 -2.259 7 HG2 MET 1 2HG MET 1 19.021 24.864 -2.776 8 HG3 MET 1 1HG MET 1 18.062 23.468 -2.295 9 HE1 MET 1 3HE MET 1 20.083 26.052 -0.078 10 HE2 MET 1 1HE MET 1 18.800 27.195 0.320 11 HE3 MET 1 2HE MET 1 19.340 27.022 -1.349 12 H GLY 2 H GLY 2 17.805 21.767 1.150 13 HA2 GLY 2 2HA GLY 2 16.872 19.899 -0.937 14 HA3 GLY 2 1HA GLY 2 16.760 19.570 0.784 15 H HIS 3 H HIS 3 16.020 22.657 -0.747 16 HA HIS 3 HA HIS 3 13.392 22.580 0.451 17 HB2 HIS 3 2HB HIS 3 14.793 24.690 -1.187 18 HB3 HIS 3 1HB HIS 3 13.132 24.855 -0.636 19 HD1 HIS 3 HD1 HIS 3 15.682 26.628 0.219 20 HD2 HIS 3 HD2 HIS 3 13.800 23.672 2.459 21 HE1 HIS 3 HE1 HIS 3 16.219 27.149 2.622 22 HE2 HIS 3 HE2 HIS 3 14.973 25.415 3.969 23 H HIS 4 H HIS 4 12.680 20.725 -0.748 24 HA HIS 4 HA HIS 4 11.318 21.560 -3.202 25 HB2 HIS 4 2HB HIS 4 12.827 18.948 -2.891 26 HB3 HIS 4 1HB HIS 4 11.710 19.302 -4.202 27 HD1 HIS 4 HD1 HIS 4 12.485 21.042 -5.994 28 HD2 HIS 4 HD2 HIS 4 15.361 20.063 -3.151 29 HE1 HIS 4 HE1 HIS 4 14.666 21.911 -6.903 30 HE2 HIS 4 HE2 HIS 4 16.409 21.229 -5.206 31 H HIS 5 H HIS 5 9.276 20.627 -3.456 32 HA HIS 5 HA HIS 5 7.984 19.872 -1.049 33 HB2 HIS 5 2HB HIS 5 6.969 21.092 -3.032 34 HB3 HIS 5 1HB HIS 5 6.885 19.533 -3.841 35 HD1 HIS 5 HD1 HIS 5 4.392 19.277 -3.913 36 HD2 HIS 5 HD2 HIS 5 5.806 20.088 -0.085 37 HE1 HIS 5 HE1 HIS 5 2.413 18.996 -2.383 38 HE2 HIS 5 HE2 HIS 5 3.247 19.682 -0.105 39 H HIS 6 H HIS 6 9.113 18.063 -3.868 40 HA HIS 6 HA HIS 6 8.397 15.560 -2.511 41 HB2 HIS 6 2HB HIS 6 9.137 16.229 -5.333 42 HB3 HIS 6 1HB HIS 6 9.435 14.602 -4.736 43 HD1 HIS 6 HD1 HIS 6 7.360 13.119 -4.230 44 HD2 HIS 6 HD2 HIS 6 6.467 16.870 -5.803 45 HE1 HIS 6 HE1 HIS 6 4.958 12.999 -4.950 46 HE2 HIS 6 HE2 HIS 6 4.453 15.242 -5.969 47 H HIS 7 H HIS 7 9.943 15.658 -0.847 48 HA HIS 7 HA HIS 7 12.643 14.941 -1.792 49 HB2 HIS 7 2HB HIS 7 12.436 17.214 -0.602 50 HB3 HIS 7 1HB HIS 7 12.137 16.283 0.863 51 HD1 HIS 7 HD1 HIS 7 14.806 16.841 -1.758 52 HD2 HIS 7 HD2 HIS 7 14.398 15.274 2.076 53 HE1 HIS 7 HE1 HIS 7 17.148 16.428 -0.939 54 HE2 HIS 7 HE2 HIS 7 16.866 15.282 1.289 55 H HIS 8 H HIS 8 10.229 14.630 0.774 56 HA HIS 8 HA HIS 8 11.144 11.863 1.198 57 HB2 HIS 8 2HB HIS 8 9.680 13.822 2.909 58 HB3 HIS 8 1HB HIS 8 9.243 12.127 3.069 59 HD1 HIS 8 HD1 HIS 8 10.502 10.939 4.807 60 HD2 HIS 8 HD2 HIS 8 12.685 14.110 3.231 61 HE1 HIS 8 HE1 HIS 8 12.629 11.018 6.129 62 HE2 HIS 8 HE2 HIS 8 14.001 12.838 5.066 63 H SER 9 H SER 9 10.259 10.938 -0.624 64 HA SER 9 HA SER 9 7.354 11.297 -0.978 65 HB2 SER 9 2HB SER 9 8.971 12.343 -2.701 66 HB3 SER 9 1HB SER 9 9.254 10.688 -3.234 67 HG SER 9 HG SER 9 7.341 10.634 -4.132 68 H HIS 10 H HIS 10 10.050 9.086 -0.890 69 HA HIS 10 HA HIS 10 8.375 6.812 -1.606 70 HB2 HIS 10 2HB HIS 10 11.224 7.357 -1.493 71 HB3 HIS 10 1HB HIS 10 10.832 5.855 -0.666 72 HD1 HIS 10 HD1 HIS 10 9.989 7.457 -4.040 73 HD2 HIS 10 HD2 HIS 10 10.811 3.750 -2.338 74 HE1 HIS 10 HE1 HIS 10 10.082 5.826 -5.957 75 HE2 HIS 10 HE2 HIS 10 10.385 3.566 -4.882 76 H MET 11 H MET 11 6.943 6.410 -0.031 77 HA MET 11 HA MET 11 7.868 6.413 2.765 78 HB2 MET 11 2HB MET 11 5.088 6.646 1.599 79 HB3 MET 11 1HB MET 11 5.440 6.562 3.318 80 HG2 MET 11 2HG MET 11 6.443 8.713 1.475 81 HG3 MET 11 1HG MET 11 4.999 8.843 2.476 82 HE1 MET 11 3HE MET 11 7.253 11.004 2.586 83 HE2 MET 11 1HE MET 11 7.460 11.227 4.324 84 HE3 MET 11 2HE MET 11 5.844 11.039 3.645 85 H LYS 12 H LYS 12 7.900 4.556 3.887 86 HA LYS 12 HA LYS 12 6.771 2.147 2.684 87 HB2 LYS 12 2HB LYS 12 8.394 2.564 5.205 88 HB3 LYS 12 1HB LYS 12 7.781 1.005 4.677 89 HG2 LYS 12 2HG LYS 12 9.105 1.273 2.585 90 HG3 LYS 12 1HG LYS 12 9.823 2.724 3.293 91 HD2 LYS 12 2HD LYS 12 10.677 1.417 5.154 92 HD3 LYS 12 1HD LYS 12 9.906 -0.032 4.514 93 HE2 LYS 12 2HE LYS 12 12.219 -0.116 3.948 94 HE3 LYS 12 1HE LYS 12 11.310 0.201 2.473 95 HZ1 LYS 12 3HZ LYS 12 13.380 1.553 2.827 96 HZ2 LYS 12 1HZ LYS 12 12.560 2.367 4.068 97 HZ3 LYS 12 2HZ LYS 12 11.980 2.442 2.471 98 H PHE 13 H PHE 13 4.691 1.688 3.081 99 HA PHE 13 HA PHE 13 3.632 2.463 5.718 100 HB2 PHE 13 2HB PHE 13 1.438 2.680 4.764 101 HB3 PHE 13 1HB PHE 13 2.554 3.628 3.794 102 HD1 PHE 13 HD1 PHE 13 3.452 2.479 1.633 103 HD2 PHE 13 HD2 PHE 13 -0.017 1.216 3.754 104 HE1 PHE 13 HE1 PHE 13 2.627 1.352 -0.391 105 HE2 PHE 13 HE2 PHE 13 -0.843 0.080 1.735 106 HZ PHE 13 HZ PHE 13 0.481 0.149 -0.345 107 H LEU 14 H LEU 14 2.600 0.962 6.940 108 HA LEU 14 HA LEU 14 3.275 -1.758 6.434 109 HB2 LEU 14 2HB LEU 14 3.117 -0.744 8.702 110 HB3 LEU 14 1HB LEU 14 1.379 -0.636 8.499 111 HG LEU 14 HG LEU 14 1.273 -3.108 8.316 112 HD11 LEU 14 1HD1 LEU 14 3.230 -4.424 8.986 113 HD12 LEU 14 2HD1 LEU 14 4.203 -2.954 9.010 114 HD13 LEU 14 3HD1 LEU 14 3.517 -3.533 7.492 115 HD21 LEU 14 3HD2 LEU 14 2.604 -2.059 10.810 116 HD22 LEU 14 1HD2 LEU 14 1.686 -3.559 10.684 117 HD23 LEU 14 2HD2 LEU 14 0.877 -2.008 10.454 118 H VAL 15 H VAL 15 2.301 -2.750 4.780 119 HA VAL 15 HA VAL 15 -0.473 -2.326 4.136 120 HB VAL 15 HB VAL 15 1.373 -4.476 3.075 121 HG11 VAL 15 1HG1 VAL 15 -0.964 -4.907 2.620 122 HG12 VAL 15 2HG1 VAL 15 -0.132 -4.450 1.135 123 HG13 VAL 15 3HG1 VAL 15 -1.161 -3.282 1.964 124 HG21 VAL 15 3HG2 VAL 15 0.880 -1.705 1.988 125 HG22 VAL 15 1HG2 VAL 15 1.823 -2.970 1.201 126 HG23 VAL 15 2HG2 VAL 15 2.375 -2.280 2.726 127 H GLU 16 H GLU 16 -1.636 -2.954 5.930 128 HA GLU 16 HA GLU 16 -1.177 -5.550 7.105 129 HB2 GLU 16 2HB GLU 16 -1.728 -3.623 8.525 130 HB3 GLU 16 1HB GLU 16 -3.278 -3.463 7.708 131 HG2 GLU 16 2HG GLU 16 -4.020 -5.571 8.573 132 HG3 GLU 16 1HG GLU 16 -2.430 -5.900 9.258 133 H ASN 17 H ASN 17 -1.752 -7.114 5.691 134 HA ASN 17 HA ASN 17 -4.348 -7.088 4.411 135 HB2 ASN 17 2HB ASN 17 -2.278 -8.105 3.370 136 HB3 ASN 17 1HB ASN 17 -2.364 -9.368 4.590 137 HD21 ASN 17 1HD2 ASN 17 -2.504 -9.582 1.716 138 HD22 ASN 17 2HD2 ASN 17 -4.019 -10.334 1.348 139 H LEU 18 H LEU 18 -6.139 -8.056 5.142 140 HA LEU 18 HA LEU 18 -6.473 -8.658 7.834 141 HB2 LEU 18 2HB LEU 18 -8.278 -8.020 6.276 142 HB3 LEU 18 1HB LEU 18 -8.142 -9.580 5.489 143 HG LEU 18 HG LEU 18 -8.812 -10.669 7.621 144 HD11 LEU 18 1HD1 LEU 18 -9.831 -9.274 9.366 145 HD12 LEU 18 2HD1 LEU 18 -9.279 -7.830 8.516 146 HD13 LEU 18 3HD1 LEU 18 -8.105 -8.965 9.183 147 HD21 LEU 18 3HD2 LEU 18 -11.183 -10.017 7.486 148 HD22 LEU 18 1HD2 LEU 18 -10.463 -10.262 5.893 149 HD23 LEU 18 2HD2 LEU 18 -10.728 -8.628 6.498 150 H ASN 19 H ASN 19 -6.449 -10.956 5.106 151 HA ASN 19 HA ASN 19 -6.067 -13.137 7.016 152 HB2 ASN 19 2HB ASN 19 -7.890 -13.451 5.463 153 HB3 ASN 19 1HB ASN 19 -6.832 -13.137 4.090 154 HD21 ASN 19 1HD2 ASN 19 -7.543 -15.396 6.692 155 HD22 ASN 19 2HD2 ASN 19 -6.817 -16.772 5.933 156 H GLY 20 H GLY 20 -4.359 -11.274 4.714 157 HA2 GLY 20 2HA GLY 20 -2.305 -13.279 4.254 158 HA3 GLY 20 1HA GLY 20 -2.334 -11.647 3.605 159 H SER 21 H SER 21 -0.373 -10.872 4.193 160 HA SER 21 HA SER 21 0.253 -10.871 7.069 161 HB2 SER 21 2HB SER 21 2.276 -11.206 4.842 162 HB3 SER 21 1HB SER 21 2.593 -11.257 6.576 163 HG SER 21 HG SER 21 0.766 -13.030 6.262 164 H SER 22 H SER 22 1.140 -9.002 7.885 165 HA SER 22 HA SER 22 0.795 -6.613 6.345 166 HB2 SER 22 2HB SER 22 2.069 -7.006 9.066 167 HB3 SER 22 1HB SER 22 1.580 -5.462 8.367 168 HG SER 22 HG SER 22 -0.015 -6.259 9.777 169 H PHE 23 H PHE 23 2.185 -6.011 4.838 170 HA PHE 23 HA PHE 23 5.025 -6.728 5.165 171 HB2 PHE 23 2HB PHE 23 3.911 -7.848 3.283 172 HB3 PHE 23 1HB PHE 23 3.415 -6.291 2.635 173 HD1 PHE 23 HD1 PHE 23 6.430 -8.272 3.506 174 HD2 PHE 23 HD2 PHE 23 4.753 -5.196 1.094 175 HE1 PHE 23 HE1 PHE 23 8.506 -8.178 2.186 176 HE2 PHE 23 HE2 PHE 23 6.825 -5.093 -0.228 177 HZ PHE 23 HZ PHE 23 8.707 -6.584 0.321 178 H GLU 24 H GLU 24 6.579 -5.175 4.946 179 HA GLU 24 HA GLU 24 5.764 -2.409 4.945 180 HB2 GLU 24 2HB GLU 24 8.479 -3.733 4.971 181 HB3 GLU 24 1HB GLU 24 8.261 -1.989 4.970 182 HG2 GLU 24 2HG GLU 24 7.061 -2.137 7.089 183 HG3 GLU 24 1HG GLU 24 7.272 -3.888 7.086 184 H LEU 25 H LEU 25 4.892 -1.894 2.965 185 HA LEU 25 HA LEU 25 6.562 -2.378 0.602 186 HB2 LEU 25 2HB LEU 25 4.135 -3.105 0.649 187 HB3 LEU 25 1HB LEU 25 3.707 -1.408 0.662 188 HG LEU 25 HG LEU 25 5.417 -2.514 -1.545 189 HD11 LEU 25 1HD1 LEU 25 3.461 -3.966 -1.407 190 HD12 LEU 25 2HD1 LEU 25 3.396 -2.943 -2.841 191 HD13 LEU 25 3HD1 LEU 25 2.404 -2.555 -1.436 192 HD21 LEU 25 3HD2 LEU 25 3.442 -0.238 -1.386 193 HD22 LEU 25 1HD2 LEU 25 4.365 -0.700 -2.816 194 HD23 LEU 25 2HD2 LEU 25 5.200 -0.094 -1.386 195 H GLU 26 H GLU 26 7.719 -0.781 -0.186 196 HA GLU 26 HA GLU 26 7.274 1.923 0.794 197 HB2 GLU 26 2HB GLU 26 9.546 0.964 0.852 198 HB3 GLU 26 1HB GLU 26 9.512 0.798 -0.896 199 HG2 GLU 26 2HG GLU 26 9.428 3.182 -1.173 200 HG3 GLU 26 1HG GLU 26 9.294 3.414 0.572 201 H VAL 27 H VAL 27 5.955 3.178 -0.294 202 HA VAL 27 HA VAL 27 5.835 2.935 -3.234 203 HB VAL 27 HB VAL 27 3.743 2.253 -2.020 204 HG11 VAL 27 1HG1 VAL 27 2.331 4.007 -1.043 205 HG12 VAL 27 2HG1 VAL 27 3.643 5.168 -1.256 206 HG13 VAL 27 3HG1 VAL 27 3.843 3.801 -0.159 207 HG21 VAL 27 3HG2 VAL 27 3.605 2.971 -4.319 208 HG22 VAL 27 1HG2 VAL 27 3.540 4.662 -3.822 209 HG23 VAL 27 2HG2 VAL 27 2.208 3.574 -3.429 210 H ASP 28 H ASP 28 5.567 4.940 -4.405 211 HA ASP 28 HA ASP 28 6.481 7.283 -2.860 212 HB2 ASP 28 2HB ASP 28 7.900 6.410 -4.809 213 HB3 ASP 28 1HB ASP 28 6.607 6.968 -5.865 214 H TYR 29 H TYR 29 5.429 9.304 -3.270 215 HA TYR 29 HA TYR 29 2.650 9.161 -3.728 216 HB2 TYR 29 2HB TYR 29 4.581 11.464 -3.554 217 HB3 TYR 29 1HB TYR 29 2.867 11.717 -3.879 218 HD1 TYR 29 HD1 TYR 29 1.197 11.260 -2.180 219 HD2 TYR 29 HD2 TYR 29 5.336 10.712 -1.361 220 HE1 TYR 29 HE1 TYR 29 0.696 11.136 0.219 221 HE2 TYR 29 HE2 TYR 29 4.845 10.591 1.047 222 HH TYR 29 HH TYR 29 1.669 10.217 2.240 223 H ARG 30 H ARG 30 5.275 9.260 -5.841 224 HA ARG 30 HA ARG 30 3.986 10.412 -8.122 225 HB2 ARG 30 2HB ARG 30 6.474 10.239 -7.718 226 HB3 ARG 30 1HB ARG 30 6.340 8.522 -8.061 227 HG2 ARG 30 2HG ARG 30 5.442 9.118 -10.309 228 HG3 ARG 30 1HG ARG 30 5.810 10.808 -9.942 229 HD2 ARG 30 2HD ARG 30 8.179 10.003 -9.445 230 HD3 ARG 30 1HD ARG 30 7.713 8.498 -10.233 231 HE ARG 30 HE ARG 30 7.499 11.081 -11.632 232 HH11 ARG 30 1HH1 ARG 30 8.612 7.766 -11.470 233 HH12 ARG 30 2HH1 ARG 30 9.379 7.813 -13.029 234 HH21 ARG 30 1HH2 ARG 30 8.505 11.159 -13.675 235 HH22 ARG 30 2HH2 ARG 30 9.323 9.749 -14.286 236 H ASP 31 H ASP 31 4.042 7.291 -6.630 237 HA ASP 31 HA ASP 31 3.429 5.711 -8.906 238 HB2 ASP 31 2HB ASP 31 3.235 5.269 -5.946 239 HB3 ASP 31 1HB ASP 31 2.467 4.131 -7.045 240 H THR 32 H THR 32 1.537 5.166 -9.812 241 HA THR 32 HA THR 32 -0.861 6.571 -9.014 242 HB THR 32 HB THR 32 -0.631 4.446 -11.152 243 HG1 THR 32 HG1 THR 32 0.385 7.045 -11.068 244 HG21 THR 32 3HG2 THR 32 -2.424 6.866 -10.861 245 HG22 THR 32 1HG2 THR 32 -2.899 5.187 -10.594 246 HG23 THR 32 2HG2 THR 32 -2.441 5.727 -12.208 247 H LEU 33 H LEU 33 -2.762 5.540 -8.236 248 HA LEU 33 HA LEU 33 -2.272 3.527 -6.351 249 HB2 LEU 33 2HB LEU 33 -4.867 4.545 -7.482 250 HB3 LEU 33 1HB LEU 33 -4.769 3.416 -6.143 251 HG LEU 33 HG LEU 33 -3.683 6.231 -6.174 252 HD11 LEU 33 1HD1 LEU 33 -5.386 6.630 -4.451 253 HD12 LEU 33 2HD1 LEU 33 -5.999 4.994 -4.696 254 HD13 LEU 33 3HD1 LEU 33 -6.095 6.180 -6.000 255 HD21 LEU 33 3HD2 LEU 33 -2.257 4.753 -4.871 256 HD22 LEU 33 1HD2 LEU 33 -3.662 4.159 -3.985 257 HD23 LEU 33 2HD2 LEU 33 -3.160 5.841 -3.817 258 H LEU 34 H LEU 34 -3.880 3.312 -9.515 259 HA LEU 34 HA LEU 34 -4.459 0.568 -9.380 260 HB2 LEU 34 2HB LEU 34 -5.383 2.195 -11.031 261 HB3 LEU 34 1HB LEU 34 -3.835 2.184 -11.851 262 HG LEU 34 HG LEU 34 -4.111 -0.182 -12.395 263 HD11 LEU 34 1HD1 LEU 34 -6.201 -1.337 -11.920 264 HD12 LEU 34 2HD1 LEU 34 -6.791 0.068 -11.033 265 HD13 LEU 34 3HD1 LEU 34 -5.408 -0.841 -10.425 266 HD21 LEU 34 3HD2 LEU 34 -5.960 0.049 -13.973 267 HD22 LEU 34 1HD2 LEU 34 -4.970 1.508 -13.940 268 HD23 LEU 34 2HD2 LEU 34 -6.526 1.479 -13.109 269 H VAL 35 H VAL 35 -1.497 2.239 -9.934 270 HA VAL 35 HA VAL 35 -0.123 0.025 -11.153 271 HB VAL 35 HB VAL 35 0.915 2.605 -9.967 272 HG11 VAL 35 1HG1 VAL 35 2.641 0.902 -9.827 273 HG12 VAL 35 2HG1 VAL 35 3.042 2.084 -11.074 274 HG13 VAL 35 3HG1 VAL 35 2.409 0.499 -11.527 275 HG21 VAL 35 3HG2 VAL 35 1.268 3.240 -12.307 276 HG22 VAL 35 1HG2 VAL 35 -0.429 2.910 -11.964 277 HG23 VAL 35 2HG2 VAL 35 0.544 1.717 -12.824 278 H VAL 36 H VAL 36 -0.157 1.545 -7.925 279 HA VAL 36 HA VAL 36 1.725 -0.255 -6.809 280 HB VAL 36 HB VAL 36 1.209 1.964 -5.815 281 HG11 VAL 36 1HG1 VAL 36 -1.213 1.946 -6.018 282 HG12 VAL 36 2HG1 VAL 36 -0.721 2.223 -4.348 283 HG13 VAL 36 3HG1 VAL 36 -1.313 0.636 -4.841 284 HG21 VAL 36 3HG2 VAL 36 0.875 -0.380 -3.952 285 HG22 VAL 36 1HG2 VAL 36 1.366 1.249 -3.485 286 HG23 VAL 36 2HG2 VAL 36 2.404 0.281 -4.534 287 H LYS 37 H LYS 37 -1.717 -0.422 -7.320 288 HA LYS 37 HA LYS 37 -2.404 -2.520 -5.614 289 HB2 LYS 37 2HB LYS 37 -3.406 -1.830 -8.378 290 HB3 LYS 37 1HB LYS 37 -4.120 -3.094 -7.389 291 HG2 LYS 37 2HG LYS 37 -3.911 -0.207 -6.569 292 HG3 LYS 37 1HG LYS 37 -5.332 -0.939 -7.315 293 HD2 LYS 37 2HD LYS 37 -4.083 -1.820 -4.714 294 HD3 LYS 37 1HD LYS 37 -5.514 -0.798 -4.860 295 HE2 LYS 37 2HE LYS 37 -5.255 -3.607 -5.920 296 HE3 LYS 37 1HE LYS 37 -6.071 -3.158 -4.427 297 HZ1 LYS 37 3HZ LYS 37 -6.854 -2.195 -7.125 298 HZ2 LYS 37 1HZ LYS 37 -7.682 -1.916 -5.676 299 HZ3 LYS 37 2HZ LYS 37 -7.592 -3.484 -6.310 300 H GLN 38 H GLN 38 -0.864 -2.560 -8.789 301 HA GLN 38 HA GLN 38 -0.865 -5.381 -9.112 302 HB2 GLN 38 2HB GLN 38 1.003 -3.324 -10.310 303 HB3 GLN 38 1HB GLN 38 0.796 -4.978 -10.872 304 HG2 GLN 38 2HG GLN 38 -1.471 -4.524 -11.534 305 HG3 GLN 38 1HG GLN 38 -1.386 -2.903 -10.844 306 HE21 GLN 38 1HE2 GLN 38 -1.979 -3.713 -13.581 307 HE22 GLN 38 2HE2 GLN 38 -0.786 -2.941 -14.578 308 H LYS 39 H LYS 39 1.432 -3.069 -7.783 309 HA LYS 39 HA LYS 39 3.553 -4.850 -7.267 310 HB2 LYS 39 2HB LYS 39 2.774 -2.292 -5.841 311 HB3 LYS 39 1HB LYS 39 4.312 -3.124 -5.639 312 HG2 LYS 39 2HG LYS 39 4.847 -2.736 -7.981 313 HG3 LYS 39 1HG LYS 39 3.286 -1.948 -8.218 314 HD2 LYS 39 2HD LYS 39 3.904 -0.171 -6.696 315 HD3 LYS 39 1HD LYS 39 5.416 -0.995 -6.298 316 HE2 LYS 39 2HE LYS 39 6.149 -0.758 -8.625 317 HE3 LYS 39 1HE LYS 39 4.643 0.066 -9.018 318 HZ1 LYS 39 3HZ LYS 39 6.368 1.132 -6.883 319 HZ2 LYS 39 1HZ LYS 39 5.279 1.955 -7.888 320 HZ3 LYS 39 2HZ LYS 39 6.770 1.424 -8.503 321 H ILE 40 H ILE 40 0.711 -3.923 -5.406 322 HA ILE 40 HA ILE 40 1.410 -5.372 -3.057 323 HB ILE 40 HB ILE 40 -1.312 -4.456 -4.009 324 HG12 ILE 40 2HG1 ILE 40 0.594 -3.196 -2.024 325 HG13 ILE 40 1HG1 ILE 40 0.331 -2.630 -3.671 326 HG21 ILE 40 1HG2 ILE 40 -0.415 -5.397 -1.286 327 HG22 ILE 40 2HG2 ILE 40 -1.518 -6.239 -2.375 328 HG23 ILE 40 3HG2 ILE 40 -1.992 -4.699 -1.657 329 HD11 ILE 40 3HD1 ILE 40 -1.732 -2.713 -1.481 330 HD12 ILE 40 1HD1 ILE 40 -2.000 -2.150 -3.130 331 HD13 ILE 40 2HD1 ILE 40 -0.892 -1.279 -2.071 332 H GLU 41 H GLU 41 -0.519 -6.115 -5.933 333 HA GLU 41 HA GLU 41 -1.674 -8.509 -5.077 334 HB2 GLU 41 2HB GLU 41 -2.319 -7.336 -7.160 335 HB3 GLU 41 1HB GLU 41 -0.791 -7.817 -7.886 336 HG2 GLU 41 2HG GLU 41 -1.447 -10.185 -7.552 337 HG3 GLU 41 1HG GLU 41 -3.023 -9.627 -6.997 338 H ARG 42 H ARG 42 1.426 -7.931 -6.682 339 HA ARG 42 HA ARG 42 2.080 -10.672 -7.001 340 HB2 ARG 42 2HB ARG 42 3.042 -8.728 -8.289 341 HB3 ARG 42 1HB ARG 42 3.998 -8.340 -6.866 342 HG2 ARG 42 2HG ARG 42 5.161 -10.439 -7.013 343 HG3 ARG 42 1HG ARG 42 4.125 -10.960 -8.344 344 HD2 ARG 42 2HD ARG 42 4.966 -9.036 -9.672 345 HD3 ARG 42 1HD ARG 42 6.084 -8.668 -8.358 346 HE ARG 42 HE ARG 42 7.032 -10.941 -8.771 347 HH11 ARG 42 1HH1 ARG 42 5.320 -9.227 -11.296 348 HH12 ARG 42 2HH1 ARG 42 6.143 -10.050 -12.591 349 HH21 ARG 42 1HH2 ARG 42 8.150 -12.000 -10.461 350 HH22 ARG 42 2HH2 ARG 42 7.744 -11.641 -12.115 351 H SER 43 H SER 43 2.175 -8.574 -4.306 352 HA SER 43 HA SER 43 4.181 -10.185 -2.920 353 HB2 SER 43 2HB SER 43 4.303 -7.683 -2.847 354 HB3 SER 43 1HB SER 43 2.778 -7.677 -1.963 355 HG SER 43 HG SER 43 4.701 -9.356 -0.912 356 H GLN 44 H GLN 44 0.844 -9.032 -2.459 357 HA GLN 44 HA GLN 44 0.489 -10.679 -0.110 358 HB2 GLN 44 2HB GLN 44 -1.396 -8.886 -1.643 359 HB3 GLN 44 1HB GLN 44 -1.841 -9.752 -0.179 360 HG2 GLN 44 2HG GLN 44 0.372 -7.722 -0.374 361 HG3 GLN 44 1HG GLN 44 -1.253 -7.402 0.233 362 HE21 GLN 44 1HE2 GLN 44 1.337 -7.193 1.577 363 HE22 GLN 44 2HE2 GLN 44 1.217 -8.205 2.975 364 H HIS 45 H HIS 45 0.094 -11.055 -3.450 365 HA HIS 45 HA HIS 45 -0.537 -12.803 -4.731 366 HB2 HIS 45 2HB HIS 45 -0.968 -14.244 -2.111 367 HB3 HIS 45 1HB HIS 45 -1.006 -15.000 -3.702 368 HD1 HIS 45 HD1 HIS 45 1.381 -14.459 -5.108 369 HD2 HIS 45 HD2 HIS 45 1.444 -14.458 -0.948 370 HE1 HIS 45 HE1 HIS 45 3.797 -14.768 -4.462 371 HE2 HIS 45 HE2 HIS 45 3.825 -14.539 -1.950 372 H ILE 46 H ILE 46 -2.489 -10.926 -3.146 373 HA ILE 46 HA ILE 46 -4.927 -12.309 -4.016 374 HB ILE 46 HB ILE 46 -6.166 -10.551 -2.752 375 HG12 ILE 46 2HG1 ILE 46 -3.433 -9.817 -1.674 376 HG13 ILE 46 1HG1 ILE 46 -4.371 -8.830 -2.789 377 HG21 ILE 46 1HG2 ILE 46 -4.186 -12.176 -1.165 378 HG22 ILE 46 2HG2 ILE 46 -5.751 -12.726 -1.764 379 HG23 ILE 46 3HG2 ILE 46 -5.670 -11.468 -0.529 380 HD11 ILE 46 3HD1 ILE 46 -6.123 -8.596 -1.099 381 HD12 ILE 46 1HD1 ILE 46 -4.563 -8.009 -0.519 382 HD13 ILE 46 2HD1 ILE 46 -5.169 -9.575 0.015 383 HA PRO 47 HA PRO 47 -4.755 -9.996 -7.742 384 HB2 PRO 47 2HB PRO 47 -7.712 -10.275 -7.690 385 HB3 PRO 47 1HB PRO 47 -6.556 -10.746 -8.942 386 HG2 PRO 47 2HG PRO 47 -7.699 -12.582 -7.390 387 HG3 PRO 47 1HG PRO 47 -5.996 -12.722 -7.867 388 HD2 PRO 47 2HD PRO 47 -7.171 -11.840 -5.262 389 HD3 PRO 47 1HD PRO 47 -5.738 -12.841 -5.571 390 H VAL 48 H VAL 48 -5.116 -7.978 -8.528 391 HA VAL 48 HA VAL 48 -5.571 -5.812 -6.889 392 HB VAL 48 HB VAL 48 -6.052 -6.046 -9.868 393 HG11 VAL 48 1HG1 VAL 48 -5.840 -3.613 -9.963 394 HG12 VAL 48 2HG1 VAL 48 -5.750 -3.549 -8.202 395 HG13 VAL 48 3HG1 VAL 48 -7.229 -4.096 -8.992 396 HG21 VAL 48 3HG2 VAL 48 -3.777 -6.565 -9.223 397 HG22 VAL 48 1HG2 VAL 48 -3.677 -5.078 -8.279 398 HG23 VAL 48 2HG2 VAL 48 -3.827 -5.000 -10.034 399 H SER 49 H SER 49 -7.918 -7.698 -8.698 400 HA SER 49 HA SER 49 -10.108 -5.905 -8.167 401 HB2 SER 49 2HB SER 49 -10.265 -8.737 -9.202 402 HB3 SER 49 1HB SER 49 -11.423 -7.429 -9.448 403 HG SER 49 HG SER 49 -9.155 -8.029 -10.836 404 H LYS 50 H LYS 50 -8.504 -7.868 -6.135 405 HA LYS 50 HA LYS 50 -10.946 -8.470 -4.604 406 HB2 LYS 50 2HB LYS 50 -8.451 -10.159 -4.830 407 HB3 LYS 50 1HB LYS 50 -9.725 -10.440 -3.649 408 HG2 LYS 50 2HG LYS 50 -11.322 -10.632 -5.592 409 HG3 LYS 50 1HG LYS 50 -9.905 -10.643 -6.642 410 HD2 LYS 50 2HD LYS 50 -9.099 -12.662 -5.654 411 HD3 LYS 50 1HD LYS 50 -10.314 -12.588 -4.374 412 HE2 LYS 50 2HE LYS 50 -10.874 -12.943 -7.317 413 HE3 LYS 50 1HE LYS 50 -10.896 -14.227 -6.109 414 HZ1 LYS 50 3HZ LYS 50 -12.776 -13.306 -5.076 415 HZ2 LYS 50 1HZ LYS 50 -13.107 -13.229 -6.739 416 HZ3 LYS 50 2HZ LYS 50 -12.628 -11.833 -5.900 417 H GLN 51 H GLN 51 -8.578 -6.394 -4.700 418 HA GLN 51 HA GLN 51 -7.824 -6.535 -1.874 419 HB2 GLN 51 2HB GLN 51 -6.800 -4.772 -4.102 420 HB3 GLN 51 1HB GLN 51 -6.235 -4.716 -2.440 421 HG2 GLN 51 2HG GLN 51 -5.354 -6.947 -2.612 422 HG3 GLN 51 1HG GLN 51 -6.033 -7.123 -4.231 423 HE21 GLN 51 1HE2 GLN 51 -4.019 -7.511 -5.144 424 HE22 GLN 51 2HE2 GLN 51 -2.855 -6.245 -5.364 425 H THR 52 H THR 52 -9.540 -5.739 -0.742 426 HA THR 52 HA THR 52 -10.891 -3.322 -1.549 427 HB THR 52 HB THR 52 -11.038 -4.651 1.158 428 HG1 THR 52 HG1 THR 52 -11.661 -6.300 -0.088 429 HG21 THR 52 3HG2 THR 52 -13.304 -3.706 1.188 430 HG22 THR 52 1HG2 THR 52 -13.016 -2.978 -0.392 431 HG23 THR 52 2HG2 THR 52 -12.079 -2.450 1.007 432 H LEU 53 H LEU 53 -9.737 -1.479 -1.435 433 HA LEU 53 HA LEU 53 -7.612 -1.118 0.456 434 HB2 LEU 53 2HB LEU 53 -8.881 0.859 -1.443 435 HB3 LEU 53 1HB LEU 53 -7.391 1.115 -0.555 436 HG LEU 53 HG LEU 53 -7.816 -0.982 -2.688 437 HD11 LEU 53 1HD1 LEU 53 -6.302 0.407 -4.022 438 HD12 LEU 53 2HD1 LEU 53 -6.287 1.617 -2.740 439 HD13 LEU 53 3HD1 LEU 53 -7.783 1.271 -3.607 440 HD21 LEU 53 3HD2 LEU 53 -5.305 -0.162 -1.230 441 HD22 LEU 53 1HD2 LEU 53 -5.426 -1.365 -2.513 442 HD23 LEU 53 2HD2 LEU 53 -6.206 -1.654 -0.956 443 H ILE 54 H ILE 54 -8.568 -1.200 2.504 444 HA ILE 54 HA ILE 54 -10.580 0.793 3.169 445 HB ILE 54 HB ILE 54 -9.194 -1.215 4.957 446 HG12 ILE 54 2HG1 ILE 54 -11.952 -1.270 3.707 447 HG13 ILE 54 1HG1 ILE 54 -10.586 -2.265 3.211 448 HG21 ILE 54 1HG2 ILE 54 -9.998 0.697 6.213 449 HG22 ILE 54 2HG2 ILE 54 -11.010 -0.711 6.542 450 HG23 ILE 54 3HG2 ILE 54 -11.585 0.555 5.456 451 HD11 ILE 54 3HD1 ILE 54 -10.581 -3.328 5.420 452 HD12 ILE 54 1HD1 ILE 54 -12.119 -3.535 4.582 453 HD13 ILE 54 2HD1 ILE 54 -11.974 -2.350 5.879 454 H VAL 55 H VAL 55 -9.831 2.796 3.330 455 HA VAL 55 HA VAL 55 -7.314 3.238 4.800 456 HB VAL 55 HB VAL 55 -8.613 4.976 2.689 457 HG11 VAL 55 1HG1 VAL 55 -7.524 6.326 4.421 458 HG12 VAL 55 2HG1 VAL 55 -6.665 6.420 2.884 459 HG13 VAL 55 3HG1 VAL 55 -6.032 5.414 4.188 460 HG21 VAL 55 3HG2 VAL 55 -6.572 4.469 1.393 461 HG22 VAL 55 1HG2 VAL 55 -7.540 3.034 1.732 462 HG23 VAL 55 2HG2 VAL 55 -6.074 3.349 2.662 463 H ASP 56 H ASP 56 -7.837 3.663 6.826 464 HA ASP 56 HA ASP 56 -8.736 4.619 8.672 465 HB2 ASP 56 2HB ASP 56 -9.255 6.847 6.701 466 HB3 ASP 56 1HB ASP 56 -9.601 6.993 8.421 467 H GLY 57 H GLY 57 -10.399 2.919 6.937 468 HA2 GLY 57 2HA GLY 57 -12.512 2.056 7.666 469 HA3 GLY 57 1HA GLY 57 -12.990 3.692 8.094 470 H ILE 58 H ILE 58 -11.892 4.730 5.523 471 HA ILE 58 HA ILE 58 -14.305 4.237 3.967 472 HB ILE 58 HB ILE 58 -12.045 6.205 3.544 473 HG12 ILE 58 2HG1 ILE 58 -13.358 6.697 5.547 474 HG13 ILE 58 1HG1 ILE 58 -13.668 7.894 4.294 475 HG21 ILE 58 1HG2 ILE 58 -13.473 7.278 1.893 476 HG22 ILE 58 2HG2 ILE 58 -14.698 6.031 2.122 477 HG23 ILE 58 3HG2 ILE 58 -13.131 5.610 1.434 478 HD11 ILE 58 3HD1 ILE 58 -15.451 5.582 5.022 479 HD12 ILE 58 1HD1 ILE 58 -15.760 6.750 3.736 480 HD13 ILE 58 2HD1 ILE 58 -15.715 7.280 5.417 481 H VAL 59 H VAL 59 -14.361 3.039 2.139 482 HA VAL 59 HA VAL 59 -11.939 1.701 1.320 483 HB VAL 59 HB VAL 59 -13.971 0.378 1.390 484 HG11 VAL 59 1HG1 VAL 59 -15.041 2.233 -0.732 485 HG12 VAL 59 2HG1 VAL 59 -15.618 2.101 0.929 486 HG13 VAL 59 3HG1 VAL 59 -15.815 0.746 -0.182 487 HG21 VAL 59 3HG2 VAL 59 -12.281 -0.269 -0.230 488 HG22 VAL 59 1HG2 VAL 59 -13.002 0.796 -1.437 489 HG23 VAL 59 2HG2 VAL 59 -13.893 -0.611 -0.858 490 H ILE 60 H ILE 60 -10.612 2.368 -0.191 491 HA ILE 60 HA ILE 60 -11.371 4.626 -1.868 492 HB ILE 60 HB ILE 60 -8.694 3.259 -1.530 493 HG12 ILE 60 2HG1 ILE 60 -9.415 4.440 0.486 494 HG13 ILE 60 1HG1 ILE 60 -8.076 5.290 -0.277 495 HG21 ILE 60 1HG2 ILE 60 -8.928 4.281 -3.744 496 HG22 ILE 60 2HG2 ILE 60 -7.752 5.144 -2.753 497 HG23 ILE 60 3HG2 ILE 60 -9.366 5.814 -2.987 498 HD11 ILE 60 3HD1 ILE 60 -9.648 6.889 -1.242 499 HD12 ILE 60 1HD1 ILE 60 -9.756 6.842 0.518 500 HD13 ILE 60 2HD1 ILE 60 -10.983 6.040 -0.463 501 H LEU 61 H LEU 61 -12.432 4.119 -3.649 502 HA LEU 61 HA LEU 61 -11.637 1.721 -5.146 503 HB2 LEU 61 2HB LEU 61 -14.150 3.389 -5.303 504 HB3 LEU 61 1HB LEU 61 -13.804 2.012 -6.333 505 HG LEU 61 HG LEU 61 -14.129 1.900 -3.331 506 HD11 LEU 61 1HD1 LEU 61 -15.978 1.003 -5.537 507 HD12 LEU 61 2HD1 LEU 61 -16.234 2.381 -4.464 508 HD13 LEU 61 3HD1 LEU 61 -16.224 0.743 -3.810 509 HD21 LEU 61 3HD2 LEU 61 -13.788 -0.295 -5.370 510 HD22 LEU 61 1HD2 LEU 61 -14.120 -0.525 -3.654 511 HD23 LEU 61 2HD2 LEU 61 -12.596 0.201 -4.168 512 H ARG 62 H ARG 62 -11.259 5.041 -5.102 513 HA ARG 62 HA ARG 62 -11.088 5.391 -7.966 514 HB2 ARG 62 2HB ARG 62 -10.780 7.179 -5.596 515 HB3 ARG 62 1HB ARG 62 -10.034 7.665 -7.113 516 HG2 ARG 62 2HG ARG 62 -12.949 7.010 -6.732 517 HG3 ARG 62 1HG ARG 62 -12.261 8.634 -6.830 518 HD2 ARG 62 2HD ARG 62 -11.486 8.208 -9.083 519 HD3 ARG 62 1HD ARG 62 -12.048 6.543 -8.991 520 HE ARG 62 HE ARG 62 -14.141 8.446 -8.553 521 HH11 ARG 62 1HH1 ARG 62 -12.292 6.718 -10.967 522 HH12 ARG 62 2HH1 ARG 62 -13.497 6.894 -12.212 523 HH21 ARG 62 1HH2 ARG 62 -15.738 8.691 -10.188 524 HH22 ARG 62 2HH2 ARG 62 -15.466 7.997 -11.759 525 H GLU 63 H GLU 63 -9.538 3.640 -8.194 526 HA GLU 63 HA GLU 63 -6.836 4.113 -7.255 527 HB2 GLU 63 2HB GLU 63 -8.028 1.952 -9.006 528 HB3 GLU 63 1HB GLU 63 -6.352 1.988 -8.468 529 HG2 GLU 63 2HG GLU 63 -6.976 1.733 -6.199 530 HG3 GLU 63 1HG GLU 63 -8.676 2.010 -6.568 531 H ASP 64 H ASP 64 -8.665 5.333 -9.623 532 HA ASP 64 HA ASP 64 -6.837 5.391 -11.820 533 HB2 ASP 64 2HB ASP 64 -9.290 5.652 -12.074 534 HB3 ASP 64 1HB ASP 64 -9.209 7.170 -11.190 535 H LEU 65 H LEU 65 -6.907 6.889 -8.831 536 HA LEU 65 HA LEU 65 -5.697 9.390 -9.709 537 HB2 LEU 65 2HB LEU 65 -6.520 8.409 -6.976 538 HB3 LEU 65 1HB LEU 65 -5.801 9.977 -7.287 539 HG LEU 65 HG LEU 65 -8.442 9.034 -8.400 540 HD11 LEU 65 1HD1 LEU 65 -9.426 10.634 -6.830 541 HD12 LEU 65 2HD1 LEU 65 -7.827 10.965 -6.164 542 HD13 LEU 65 3HD1 LEU 65 -8.541 9.362 -5.989 543 HD21 LEU 65 3HD2 LEU 65 -7.090 11.728 -8.498 544 HD22 LEU 65 1HD2 LEU 65 -8.713 11.364 -9.088 545 HD23 LEU 65 2HD2 LEU 65 -7.307 10.626 -9.858 546 H THR 66 H THR 66 -3.794 10.181 -8.555 547 HA THR 66 HA THR 66 -1.733 8.142 -8.279 548 HB THR 66 HB THR 66 -1.277 11.088 -7.878 549 HG1 THR 66 HG1 THR 66 -1.004 11.188 -10.224 550 HG21 THR 66 3HG2 THR 66 0.605 9.563 -7.564 551 HG22 THR 66 1HG2 THR 66 0.860 10.583 -8.981 552 HG23 THR 66 2HG2 THR 66 0.355 8.904 -9.180 553 H VAL 67 H VAL 67 -0.371 8.066 -6.341 554 HA VAL 67 HA VAL 67 -1.761 8.120 -3.918 555 HB VAL 67 HB VAL 67 1.235 8.265 -4.335 556 HG11 VAL 67 1HG1 VAL 67 1.409 7.377 -2.057 557 HG12 VAL 67 2HG1 VAL 67 -0.341 7.506 -1.876 558 HG13 VAL 67 3HG1 VAL 67 0.635 8.961 -2.082 559 HG21 VAL 67 3HG2 VAL 67 0.252 6.303 -5.376 560 HG22 VAL 67 1HG2 VAL 67 -0.595 5.908 -3.879 561 HG23 VAL 67 2HG2 VAL 67 1.165 5.837 -3.942 562 H GLU 68 H GLU 68 0.331 10.553 -5.402 563 HA GLU 68 HA GLU 68 0.359 12.393 -3.274 564 HB2 GLU 68 2HB GLU 68 1.842 12.456 -5.301 565 HB3 GLU 68 1HB GLU 68 0.466 13.047 -6.224 566 HG2 GLU 68 2HG GLU 68 0.330 14.970 -4.649 567 HG3 GLU 68 1HG GLU 68 1.833 14.410 -3.923 568 H GLN 69 H GLN 69 -1.930 11.894 -5.922 569 HA GLN 69 HA GLN 69 -3.345 14.324 -5.524 570 HB2 GLN 69 2HB GLN 69 -4.034 11.802 -7.017 571 HB3 GLN 69 1HB GLN 69 -5.129 13.173 -6.932 572 HG2 GLN 69 2HG GLN 69 -3.271 14.575 -7.888 573 HG3 GLN 69 1HG GLN 69 -2.396 13.070 -8.174 574 HE21 GLN 69 1HE2 GLN 69 -3.084 11.683 -9.793 575 HE22 GLN 69 2HE2 GLN 69 -4.259 12.152 -10.973 576 H CYS 70 H CYS 70 -3.547 11.197 -4.041 577 HA CYS 70 HA CYS 70 -6.081 11.901 -2.766 578 HB2 CYS 70 2HB CYS 70 -5.704 9.597 -3.683 579 HB3 CYS 70 1HB CYS 70 -4.465 9.364 -2.456 580 HG CYS 70 HG CYS 70 -6.707 10.174 -0.527 581 H GLN 71 H GLN 71 -2.814 12.292 -2.276 582 HA GLN 71 HA GLN 71 -1.466 12.851 -0.544 583 HB2 GLN 71 2HB GLN 71 -4.077 13.733 0.695 584 HB3 GLN 71 1HB GLN 71 -2.480 14.175 1.281 585 HG2 GLN 71 2HG GLN 71 -2.084 15.193 -1.009 586 HG3 GLN 71 1HG GLN 71 -3.816 14.993 -1.278 587 HE21 GLN 71 1HE2 GLN 71 -5.269 16.182 -0.011 588 HE22 GLN 71 2HE2 GLN 71 -4.781 17.603 0.847 589 H ILE 72 H ILE 72 -2.108 10.175 -0.599 590 HA ILE 72 HA ILE 72 -3.131 9.165 1.831 591 HB ILE 72 HB ILE 72 -1.264 7.817 -0.127 592 HG12 ILE 72 2HG1 ILE 72 -4.281 7.761 0.111 593 HG13 ILE 72 1HG1 ILE 72 -3.367 8.577 -1.154 594 HG21 ILE 72 1HG2 ILE 72 -2.123 5.725 0.842 595 HG22 ILE 72 2HG2 ILE 72 -3.025 6.659 2.035 596 HG23 ILE 72 3HG2 ILE 72 -1.261 6.698 2.033 597 HD11 ILE 72 3HD1 ILE 72 -4.290 6.472 -1.932 598 HD12 ILE 72 1HD1 ILE 72 -3.434 5.609 -0.654 599 HD13 ILE 72 2HD1 ILE 72 -2.528 6.424 -1.929 600 H VAL 73 H VAL 73 -2.258 9.614 3.719 601 HA VAL 73 HA VAL 73 0.594 9.925 4.032 602 HB VAL 73 HB VAL 73 0.055 10.366 6.422 603 HG11 VAL 73 1HG1 VAL 73 -1.573 11.928 4.417 604 HG12 VAL 73 2HG1 VAL 73 0.126 12.195 4.806 605 HG13 VAL 73 3HG1 VAL 73 -1.116 12.488 6.024 606 HG21 VAL 73 3HG2 VAL 73 -2.305 10.620 7.074 607 HG22 VAL 73 1HG2 VAL 73 -1.921 8.952 6.645 608 HG23 VAL 73 2HG2 VAL 73 -2.796 9.977 5.507 609 HA PRO 74 HA PRO 74 1.414 5.712 4.991 610 HB2 PRO 74 2HB PRO 74 3.712 5.998 6.410 611 HB3 PRO 74 1HB PRO 74 3.628 6.201 4.657 612 HG2 PRO 74 2HG PRO 74 3.625 8.284 6.809 613 HG3 PRO 74 1HG PRO 74 4.506 8.266 5.270 614 HD2 PRO 74 2HD PRO 74 2.231 9.679 5.621 615 HD3 PRO 74 1HD PRO 74 2.660 8.943 4.064 616 H THR 75 H THR 75 0.647 7.999 7.353 617 HA THR 75 HA THR 75 0.782 6.105 9.570 618 HB THR 75 HB THR 75 1.586 8.425 9.920 619 HG1 THR 75 HG1 THR 75 -0.591 7.412 11.411 620 HG21 THR 75 3HG2 THR 75 -1.306 9.180 9.513 621 HG22 THR 75 1HG2 THR 75 0.042 9.609 8.458 622 HG23 THR 75 2HG2 THR 75 -0.036 10.256 10.096 623 H SER 76 H SER 76 -1.287 6.696 7.142 624 HA SER 76 HA SER 76 -3.787 6.856 8.536 625 HB2 SER 76 2HB SER 76 -3.576 7.749 6.274 626 HB3 SER 76 1HB SER 76 -3.128 6.161 5.661 627 HG SER 76 HG SER 76 -5.635 6.920 6.782 628 H ASP 77 H ASP 77 -5.410 5.177 8.590 629 HA ASP 77 HA ASP 77 -4.261 2.586 9.176 630 HB2 ASP 77 2HB ASP 77 -6.052 3.531 10.589 631 HB3 ASP 77 1HB ASP 77 -7.148 3.509 9.212 632 H ILE 78 H ILE 78 -3.606 1.615 7.316 633 HA ILE 78 HA ILE 78 -5.595 1.339 5.161 634 HB ILE 78 HB ILE 78 -2.589 1.066 4.948 635 HG12 ILE 78 2HG1 ILE 78 -4.394 3.302 3.997 636 HG13 ILE 78 1HG1 ILE 78 -3.354 3.389 5.414 637 HG21 ILE 78 1HG2 ILE 78 -3.001 1.064 2.529 638 HG22 ILE 78 2HG2 ILE 78 -4.738 1.108 2.830 639 HG23 ILE 78 3HG2 ILE 78 -3.792 -0.295 3.327 640 HD11 ILE 78 3HD1 ILE 78 -2.359 4.521 3.512 641 HD12 ILE 78 1HD1 ILE 78 -2.437 3.033 2.570 642 HD13 ILE 78 2HD1 ILE 78 -1.393 3.124 3.988 643 H GLN 79 H GLN 79 -6.617 -0.518 5.414 644 HA GLN 79 HA GLN 79 -5.014 -2.933 5.948 645 HB2 GLN 79 2HB GLN 79 -6.504 -2.256 7.847 646 HB3 GLN 79 1HB GLN 79 -7.884 -2.463 6.778 647 HG2 GLN 79 2HG GLN 79 -7.333 -4.826 6.518 648 HG3 GLN 79 1HG GLN 79 -5.946 -4.620 7.586 649 HE21 GLN 79 1HE2 GLN 79 -6.289 -4.279 9.795 650 HE22 GLN 79 2HE2 GLN 79 -7.813 -4.641 10.538 651 H LEU 80 H LEU 80 -5.459 -4.739 4.730 652 HA LEU 80 HA LEU 80 -7.122 -4.236 2.364 653 HB2 LEU 80 2HB LEU 80 -4.926 -6.250 2.836 654 HB3 LEU 80 1HB LEU 80 -5.897 -6.176 1.380 655 HG LEU 80 HG LEU 80 -3.990 -4.059 2.366 656 HD11 LEU 80 1HD1 LEU 80 -2.892 -6.005 1.416 657 HD12 LEU 80 2HD1 LEU 80 -2.750 -4.622 0.331 658 HD13 LEU 80 3HD1 LEU 80 -3.913 -5.900 -0.019 659 HD21 LEU 80 3HD2 LEU 80 -5.923 -3.032 1.313 660 HD22 LEU 80 1HD2 LEU 80 -5.754 -4.103 -0.079 661 HD23 LEU 80 2HD2 LEU 80 -4.510 -2.903 0.266 662 H GLU 81 H GLU 81 -9.138 -4.874 2.785 663 HA GLU 81 HA GLU 81 -9.681 -7.408 4.071 664 HB2 GLU 81 2HB GLU 81 -11.214 -5.491 4.365 665 HB3 GLU 81 1HB GLU 81 -11.545 -5.495 2.641 666 HG2 GLU 81 2HG GLU 81 -12.536 -7.713 2.827 667 HG3 GLU 81 1HG GLU 81 -12.195 -7.724 4.556 668 H VAL 82 H VAL 82 -9.207 -9.177 2.965 669 HA VAL 82 HA VAL 82 -8.936 -9.242 0.153 670 HB VAL 82 HB VAL 82 -7.582 -10.721 1.444 671 HG11 VAL 82 1HG1 VAL 82 -8.494 -12.572 2.768 672 HG12 VAL 82 2HG1 VAL 82 -10.126 -11.980 2.456 673 HG13 VAL 82 3HG1 VAL 82 -8.996 -11.001 3.392 674 HG21 VAL 82 3HG2 VAL 82 -8.182 -11.556 -0.745 675 HG22 VAL 82 1HG2 VAL 82 -9.639 -12.302 -0.088 676 HG23 VAL 82 2HG2 VAL 82 -8.051 -12.896 0.395 677 H SER 83 H SER 83 -10.558 -9.081 -1.198 678 HA SER 83 HA SER 83 -13.205 -10.016 -0.503 679 HB2 SER 83 2HB SER 83 -12.892 -7.890 -1.734 680 HB3 SER 83 1HB SER 83 -12.182 -8.781 -3.078 681 HG SER 83 HG SER 83 -14.551 -9.879 -2.482 682 H SER 84 H SER 84 -12.736 -12.260 -0.306 683 HA SER 84 HA SER 84 -11.682 -13.775 -2.472 684 HB2 SER 84 2HB SER 84 -13.339 -14.710 -0.111 685 HB3 SER 84 1HB SER 84 -12.355 -15.732 -1.160 686 HG SER 84 HG SER 84 -11.078 -13.573 0.045 Start of MODEL 10 1 H1 MET 1 1H MET 1 8.511 24.086 -12.112 2 H2 MET 1 2H MET 1 9.485 24.878 -13.249 3 H3 MET 1 3H MET 1 8.433 25.775 -12.270 4 HA MET 1 HA MET 1 10.575 26.076 -11.392 5 HB2 MET 1 2HB MET 1 9.033 24.004 -9.817 6 HB3 MET 1 1HB MET 1 10.374 24.937 -9.166 7 HG2 MET 1 2HG MET 1 9.122 27.000 -9.560 8 HG3 MET 1 1HG MET 1 7.775 26.054 -10.190 9 HE1 MET 1 3HE MET 1 6.137 27.273 -8.452 10 HE2 MET 1 1HE MET 1 7.513 28.206 -7.862 11 HE3 MET 1 2HE MET 1 6.466 27.362 -6.721 12 H GLY 2 H GLY 2 12.574 25.177 -10.564 13 HA2 GLY 2 2HA GLY 2 13.392 23.020 -12.349 14 HA3 GLY 2 1HA GLY 2 14.452 24.147 -11.523 15 H HIS 3 H HIS 3 11.930 22.140 -10.041 16 HA HIS 3 HA HIS 3 13.941 20.966 -8.309 17 HB2 HIS 3 2HB HIS 3 10.939 20.814 -8.402 18 HB3 HIS 3 1HB HIS 3 11.864 19.677 -7.423 19 HD1 HIS 3 HD1 HIS 3 10.030 22.568 -6.912 20 HD2 HIS 3 HD2 HIS 3 13.899 21.470 -5.844 21 HE1 HIS 3 HE1 HIS 3 10.656 24.063 -4.994 22 HE2 HIS 3 HE2 HIS 3 12.951 23.305 -4.283 23 H HIS 4 H HIS 4 15.078 19.280 -8.911 24 HA HIS 4 HA HIS 4 14.071 17.688 -11.172 25 HB2 HIS 4 2HB HIS 4 16.905 18.109 -10.212 26 HB3 HIS 4 1HB HIS 4 16.434 17.176 -11.625 27 HD1 HIS 4 HD1 HIS 4 17.938 20.204 -10.981 28 HD2 HIS 4 HD2 HIS 4 14.634 19.168 -13.292 29 HE1 HIS 4 HE1 HIS 4 17.647 22.078 -12.633 30 HE2 HIS 4 HE2 HIS 4 15.803 21.307 -14.168 31 H HIS 5 H HIS 5 14.485 17.453 -7.872 32 HA HIS 5 HA HIS 5 14.666 14.522 -8.072 33 HB2 HIS 5 2HB HIS 5 16.026 16.271 -6.014 34 HB3 HIS 5 1HB HIS 5 15.884 14.522 -5.882 35 HD1 HIS 5 HD1 HIS 5 18.345 16.825 -6.661 36 HD2 HIS 5 HD2 HIS 5 16.949 13.432 -8.625 37 HE1 HIS 5 HE1 HIS 5 20.211 16.108 -8.189 38 HE2 HIS 5 HE2 HIS 5 19.377 14.005 -9.311 39 H HIS 6 H HIS 6 12.781 13.694 -7.450 40 HA HIS 6 HA HIS 6 11.126 15.035 -5.511 41 HB2 HIS 6 2HB HIS 6 9.560 13.189 -5.775 42 HB3 HIS 6 1HB HIS 6 10.082 13.767 -7.345 43 HD1 HIS 6 HD1 HIS 6 11.878 12.148 -8.603 44 HD2 HIS 6 HD2 HIS 6 9.812 10.514 -5.386 45 HE1 HIS 6 HE1 HIS 6 12.074 9.652 -8.860 46 HE2 HIS 6 HE2 HIS 6 10.571 8.714 -7.066 47 H HIS 7 H HIS 7 12.704 15.173 -3.865 48 HA HIS 7 HA HIS 7 13.901 12.753 -2.828 49 HB2 HIS 7 2HB HIS 7 15.235 14.248 -1.425 50 HB3 HIS 7 1HB HIS 7 15.278 14.759 -3.104 51 HD1 HIS 7 HD1 HIS 7 14.624 15.985 0.269 52 HD2 HIS 7 HD2 HIS 7 13.577 17.109 -3.603 53 HE1 HIS 7 HE1 HIS 7 13.861 18.376 0.434 54 HE2 HIS 7 HE2 HIS 7 13.437 19.093 -1.945 55 H HIS 8 H HIS 8 10.948 13.405 -2.393 56 HA HIS 8 HA HIS 8 10.953 12.570 0.390 57 HB2 HIS 8 2HB HIS 8 10.859 15.180 0.168 58 HB3 HIS 8 1HB HIS 8 9.191 14.900 -0.313 59 HD1 HIS 8 HD1 HIS 8 9.575 16.504 2.149 60 HD2 HIS 8 HD2 HIS 8 9.389 12.350 2.243 61 HE1 HIS 8 HE1 HIS 8 8.919 15.907 4.503 62 HE2 HIS 8 HE2 HIS 8 8.602 13.407 4.471 63 H SER 9 H SER 9 10.119 11.694 -2.423 64 HA SER 9 HA SER 9 7.224 11.501 -2.046 65 HB2 SER 9 2HB SER 9 8.844 10.940 -4.530 66 HB3 SER 9 1HB SER 9 7.085 11.021 -4.420 67 HG SER 9 HG SER 9 7.166 13.169 -4.190 68 H HIS 10 H HIS 10 9.987 9.544 -1.694 69 HA HIS 10 HA HIS 10 8.367 7.139 -2.153 70 HB2 HIS 10 2HB HIS 10 10.340 5.849 -2.395 71 HB3 HIS 10 1HB HIS 10 10.622 7.322 -3.306 72 HD1 HIS 10 HD1 HIS 10 12.327 5.106 -1.181 73 HD2 HIS 10 HD2 HIS 10 12.165 9.259 -1.460 74 HE1 HIS 10 HE1 HIS 10 14.404 5.950 -0.041 75 HE2 HIS 10 HE2 HIS 10 14.174 8.460 -0.032 76 H MET 11 H MET 11 7.434 6.245 -0.479 77 HA MET 11 HA MET 11 8.785 6.215 2.120 78 HB2 MET 11 2HB MET 11 6.024 7.330 1.623 79 HB3 MET 11 1HB MET 11 6.559 6.797 3.210 80 HG2 MET 11 2HG MET 11 8.342 8.447 3.178 81 HG3 MET 11 1HG MET 11 7.852 8.960 1.565 82 HE1 MET 11 3HE MET 11 5.191 9.479 5.302 83 HE2 MET 11 1HE MET 11 6.791 8.738 5.346 84 HE3 MET 11 2HE MET 11 5.466 7.928 4.510 85 H LYS 12 H LYS 12 7.986 4.582 3.557 86 HA LYS 12 HA LYS 12 6.810 2.325 2.089 87 HB2 LYS 12 2HB LYS 12 7.929 2.192 4.878 88 HB3 LYS 12 1HB LYS 12 7.781 0.902 3.695 89 HG2 LYS 12 2HG LYS 12 9.583 1.857 2.387 90 HG3 LYS 12 1HG LYS 12 9.693 3.223 3.503 91 HD2 LYS 12 2HD LYS 12 10.061 1.433 5.317 92 HD3 LYS 12 1HD LYS 12 10.399 0.343 3.971 93 HE2 LYS 12 2HE LYS 12 11.819 2.951 4.489 94 HE3 LYS 12 1HE LYS 12 12.429 1.364 4.951 95 HZ1 LYS 12 3HZ LYS 12 12.412 0.750 2.588 96 HZ2 LYS 12 1HZ LYS 12 13.434 2.068 2.908 97 HZ3 LYS 12 2HZ LYS 12 11.922 2.325 2.182 98 H PHE 13 H PHE 13 4.722 1.783 2.435 99 HA PHE 13 HA PHE 13 3.490 2.760 4.924 100 HB2 PHE 13 2HB PHE 13 1.356 2.899 3.805 101 HB3 PHE 13 1HB PHE 13 2.539 3.809 2.879 102 HD1 PHE 13 HD1 PHE 13 3.713 2.310 0.964 103 HD2 PHE 13 HD2 PHE 13 -0.137 1.644 2.649 104 HE1 PHE 13 HE1 PHE 13 3.037 1.102 -1.068 105 HE2 PHE 13 HE2 PHE 13 -0.818 0.428 0.620 106 HZ PHE 13 HZ PHE 13 0.773 0.155 -1.242 107 H LEU 14 H LEU 14 2.305 1.384 6.153 108 HA LEU 14 HA LEU 14 3.018 -1.380 5.899 109 HB2 LEU 14 2HB LEU 14 2.980 -0.251 8.076 110 HB3 LEU 14 1HB LEU 14 1.254 0.015 7.915 111 HG LEU 14 HG LEU 14 0.920 -2.454 7.919 112 HD11 LEU 14 1HD1 LEU 14 3.864 -2.498 8.562 113 HD12 LEU 14 2HD1 LEU 14 3.096 -3.141 7.109 114 HD13 LEU 14 3HD1 LEU 14 2.767 -3.875 8.679 115 HD21 LEU 14 3HD2 LEU 14 0.640 -1.163 9.965 116 HD22 LEU 14 1HD2 LEU 14 2.363 -1.312 10.313 117 HD23 LEU 14 2HD2 LEU 14 1.335 -2.745 10.318 118 H VAL 15 H VAL 15 2.007 -2.516 4.392 119 HA VAL 15 HA VAL 15 -0.844 -2.170 3.906 120 HB VAL 15 HB VAL 15 0.985 -4.189 2.604 121 HG11 VAL 15 1HG1 VAL 15 -0.646 -4.075 0.778 122 HG12 VAL 15 2HG1 VAL 15 -1.606 -2.932 1.718 123 HG13 VAL 15 3HG1 VAL 15 -1.386 -4.584 2.295 124 HG21 VAL 15 3HG2 VAL 15 0.444 -1.355 1.729 125 HG22 VAL 15 1HG2 VAL 15 1.297 -2.574 0.781 126 HG23 VAL 15 2HG2 VAL 15 1.982 -2.000 2.300 127 H GLU 16 H GLU 16 -1.751 -2.988 5.833 128 HA GLU 16 HA GLU 16 -1.172 -5.782 6.468 129 HB2 GLU 16 2HB GLU 16 -1.247 -4.158 8.324 130 HB3 GLU 16 1HB GLU 16 -2.919 -3.787 7.922 131 HG2 GLU 16 2HG GLU 16 -3.571 -6.064 8.448 132 HG3 GLU 16 1HG GLU 16 -1.891 -6.475 8.798 133 H ASN 17 H ASN 17 -2.745 -7.393 6.395 134 HA ASN 17 HA ASN 17 -5.214 -6.658 4.970 135 HB2 ASN 17 2HB ASN 17 -3.428 -7.871 3.596 136 HB3 ASN 17 1HB ASN 17 -3.751 -9.275 4.605 137 HD21 ASN 17 1HD2 ASN 17 -4.129 -8.703 1.707 138 HD22 ASN 17 2HD2 ASN 17 -5.780 -9.100 1.390 139 H LEU 18 H LEU 18 -7.055 -7.362 5.845 140 HA LEU 18 HA LEU 18 -7.157 -8.438 8.441 141 HB2 LEU 18 2HB LEU 18 -8.962 -7.101 7.480 142 HB3 LEU 18 1HB LEU 18 -9.271 -8.344 6.286 143 HG LEU 18 HG LEU 18 -9.951 -9.884 8.112 144 HD11 LEU 18 1HD1 LEU 18 -8.705 -8.922 9.949 145 HD12 LEU 18 2HD1 LEU 18 -10.428 -8.919 10.327 146 HD13 LEU 18 3HD1 LEU 18 -9.631 -7.427 9.829 147 HD21 LEU 18 3HD2 LEU 18 -11.615 -8.616 6.870 148 HD22 LEU 18 1HD2 LEU 18 -11.438 -7.264 7.989 149 HD23 LEU 18 2HD2 LEU 18 -12.099 -8.798 8.556 150 H ASN 19 H ASN 19 -7.335 -9.891 5.274 151 HA ASN 19 HA ASN 19 -7.171 -12.541 6.546 152 HB2 ASN 19 2HB ASN 19 -9.295 -12.303 5.339 153 HB3 ASN 19 1HB ASN 19 -8.433 -11.825 3.883 154 HD21 ASN 19 1HD2 ASN 19 -9.144 -14.455 6.064 155 HD22 ASN 19 2HD2 ASN 19 -8.716 -15.732 4.968 156 H GLY 20 H GLY 20 -4.931 -12.437 6.624 157 HA2 GLY 20 2HA GLY 20 -3.339 -13.529 4.790 158 HA3 GLY 20 1HA GLY 20 -3.446 -11.884 4.179 159 H SER 21 H SER 21 -1.696 -10.764 4.695 160 HA SER 21 HA SER 21 -0.747 -10.756 7.437 161 HB2 SER 21 2HB SER 21 0.512 -12.593 6.280 162 HB3 SER 21 1HB SER 21 1.134 -11.396 5.147 163 HG SER 21 HG SER 21 1.720 -11.768 7.867 164 H SER 22 H SER 22 1.180 -9.110 7.564 165 HA SER 22 HA SER 22 0.387 -6.775 5.984 166 HB2 SER 22 2HB SER 22 1.723 -5.534 7.780 167 HB3 SER 22 1HB SER 22 0.219 -6.295 8.295 168 HG SER 22 HG SER 22 1.395 -7.282 9.713 169 H PHE 23 H PHE 23 1.863 -5.572 4.837 170 HA PHE 23 HA PHE 23 4.612 -6.588 4.672 171 HB2 PHE 23 2HB PHE 23 3.295 -7.639 2.862 172 HB3 PHE 23 1HB PHE 23 2.807 -6.047 2.299 173 HD1 PHE 23 HD1 PHE 23 5.766 -8.219 2.814 174 HD2 PHE 23 HD2 PHE 23 4.114 -4.879 0.757 175 HE1 PHE 23 HE1 PHE 23 7.740 -8.148 1.352 176 HE2 PHE 23 HE2 PHE 23 6.090 -4.800 -0.707 177 HZ PHE 23 HZ PHE 23 7.905 -6.436 -0.408 178 H GLU 24 H GLU 24 6.137 -5.021 4.357 179 HA GLU 24 HA GLU 24 5.169 -2.259 4.407 180 HB2 GLU 24 2HB GLU 24 7.975 -3.315 4.794 181 HB3 GLU 24 1HB GLU 24 7.444 -1.662 5.057 182 HG2 GLU 24 2HG GLU 24 5.984 -2.429 6.869 183 HG3 GLU 24 1HG GLU 24 6.555 -4.078 6.614 184 H LEU 25 H LEU 25 4.646 -1.790 2.328 185 HA LEU 25 HA LEU 25 6.640 -2.305 0.239 186 HB2 LEU 25 2HB LEU 25 4.211 -3.041 0.006 187 HB3 LEU 25 1HB LEU 25 3.796 -1.343 -0.106 188 HG LEU 25 HG LEU 25 5.787 -2.504 -2.022 189 HD11 LEU 25 1HD1 LEU 25 3.988 -3.088 -3.542 190 HD12 LEU 25 2HD1 LEU 25 2.791 -2.643 -2.326 191 HD13 LEU 25 3HD1 LEU 25 3.860 -4.019 -2.051 192 HD21 LEU 25 3HD2 LEU 25 4.872 -0.790 -3.501 193 HD22 LEU 25 1HD2 LEU 25 5.445 -0.084 -1.990 194 HD23 LEU 25 2HD2 LEU 25 3.717 -0.322 -2.252 195 H GLU 26 H GLU 26 7.727 -0.655 -0.718 196 HA GLU 26 HA GLU 26 7.242 2.014 0.341 197 HB2 GLU 26 2HB GLU 26 9.558 1.055 0.280 198 HB3 GLU 26 1HB GLU 26 9.480 1.113 -1.476 199 HG2 GLU 26 2HG GLU 26 9.283 3.507 -1.444 200 HG3 GLU 26 1HG GLU 26 9.173 3.512 0.315 201 H VAL 27 H VAL 27 6.039 3.389 -0.697 202 HA VAL 27 HA VAL 27 5.517 2.934 -3.557 203 HB VAL 27 HB VAL 27 3.574 2.621 -1.998 204 HG11 VAL 27 1HG1 VAL 27 2.512 4.622 -1.043 205 HG12 VAL 27 2HG1 VAL 27 3.904 5.582 -1.546 206 HG13 VAL 27 3HG1 VAL 27 4.101 4.306 -0.345 207 HG21 VAL 27 3HG2 VAL 27 3.310 4.884 -3.972 208 HG22 VAL 27 1HG2 VAL 27 1.984 3.918 -3.324 209 HG23 VAL 27 2HG2 VAL 27 3.209 3.162 -4.343 210 H ASP 28 H ASP 28 5.302 4.776 -4.904 211 HA ASP 28 HA ASP 28 6.707 7.156 -3.935 212 HB2 ASP 28 2HB ASP 28 7.342 5.958 -6.122 213 HB3 ASP 28 1HB ASP 28 5.837 6.595 -6.776 214 H TYR 29 H TYR 29 5.650 9.084 -3.733 215 HA TYR 29 HA TYR 29 2.865 9.104 -3.432 216 HB2 TYR 29 2HB TYR 29 4.985 11.200 -3.479 217 HB3 TYR 29 1HB TYR 29 3.307 11.715 -3.578 218 HD1 TYR 29 HD2 TYR 29 5.184 9.163 -1.574 219 HD2 TYR 29 HD1 TYR 29 2.473 12.442 -1.568 220 HE1 TYR 29 HE2 TYR 29 4.978 8.982 0.870 221 HE2 TYR 29 HE1 TYR 29 2.257 12.272 0.874 222 HH TYR 29 HH TYR 29 4.344 10.245 2.760 223 H ARG 30 H ARG 30 4.817 9.591 -6.247 224 HA ARG 30 HA ARG 30 2.592 10.824 -7.690 225 HB2 ARG 30 2HB ARG 30 4.987 11.625 -7.897 226 HB3 ARG 30 1HB ARG 30 5.323 10.133 -8.764 227 HG2 ARG 30 2HG ARG 30 3.559 10.776 -10.400 228 HG3 ARG 30 1HG ARG 30 3.448 12.334 -9.578 229 HD2 ARG 30 2HD ARG 30 5.822 12.732 -10.032 230 HD3 ARG 30 1HD ARG 30 5.913 11.186 -10.880 231 HE ARG 30 HE ARG 30 4.352 13.528 -11.763 232 HH11 ARG 30 1HH1 ARG 30 5.958 10.484 -12.433 233 HH12 ARG 30 2HH1 ARG 30 5.768 10.619 -14.154 234 HH21 ARG 30 1HH2 ARG 30 4.126 13.714 -14.037 235 HH22 ARG 30 2HH2 ARG 30 4.722 12.437 -15.060 236 H ASP 31 H ASP 31 3.491 7.774 -6.881 237 HA ASP 31 HA ASP 31 3.136 6.451 -9.404 238 HB2 ASP 31 2HB ASP 31 4.457 5.468 -7.517 239 HB3 ASP 31 1HB ASP 31 2.954 5.258 -6.627 240 H THR 32 H THR 32 1.334 5.543 -10.240 241 HA THR 32 HA THR 32 -1.181 6.561 -9.287 242 HB THR 32 HB THR 32 -0.768 4.559 -11.508 243 HG1 THR 32 HG1 THR 32 0.098 7.141 -11.306 244 HG21 THR 32 3HG2 THR 32 -3.091 4.982 -10.845 245 HG22 THR 32 1HG2 THR 32 -2.765 5.637 -12.449 246 HG23 THR 32 2HG2 THR 32 -2.841 6.715 -11.056 247 H LEU 33 H LEU 33 -2.889 5.388 -8.418 248 HA LEU 33 HA LEU 33 -2.164 3.281 -6.703 249 HB2 LEU 33 2HB LEU 33 -4.877 4.270 -7.548 250 HB3 LEU 33 1HB LEU 33 -4.616 3.104 -6.264 251 HG LEU 33 HG LEU 33 -3.601 5.951 -6.286 252 HD11 LEU 33 1HD1 LEU 33 -6.017 5.822 -6.000 253 HD12 LEU 33 2HD1 LEU 33 -5.225 6.312 -4.501 254 HD13 LEU 33 3HD1 LEU 33 -5.807 4.658 -4.691 255 HD21 LEU 33 3HD2 LEU 33 -3.455 3.835 -4.141 256 HD22 LEU 33 1HD2 LEU 33 -2.950 5.516 -3.973 257 HD23 LEU 33 2HD2 LEU 33 -2.098 4.446 -5.087 258 H LEU 34 H LEU 34 -3.339 3.278 -9.952 259 HA LEU 34 HA LEU 34 -4.219 0.582 -10.053 260 HB2 LEU 34 2HB LEU 34 -4.825 2.293 -11.729 261 HB3 LEU 34 1HB LEU 34 -3.159 2.346 -12.265 262 HG LEU 34 HG LEU 34 -3.331 -0.004 -13.005 263 HD11 LEU 34 1HD1 LEU 34 -5.538 -1.064 -13.125 264 HD12 LEU 34 2HD1 LEU 34 -6.231 0.283 -12.220 265 HD13 LEU 34 3HD1 LEU 34 -5.043 -0.775 -11.457 266 HD21 LEU 34 3HD2 LEU 34 -3.750 1.804 -14.578 267 HD22 LEU 34 1HD2 LEU 34 -5.453 1.826 -14.117 268 HD23 LEU 34 2HD2 LEU 34 -4.777 0.413 -14.929 269 H VAL 35 H VAL 35 -1.124 2.071 -10.033 270 HA VAL 35 HA VAL 35 0.225 -0.196 -11.246 271 HB VAL 35 HB VAL 35 1.365 2.335 -10.045 272 HG11 VAL 35 1HG1 VAL 35 2.690 0.220 -11.742 273 HG12 VAL 35 2HG1 VAL 35 2.979 0.504 -10.024 274 HG13 VAL 35 3HG1 VAL 35 3.428 1.731 -11.208 275 HG21 VAL 35 3HG2 VAL 35 1.654 3.084 -12.337 276 HG22 VAL 35 1HG2 VAL 35 -0.045 2.732 -12.022 277 HG23 VAL 35 2HG2 VAL 35 0.940 1.588 -12.937 278 H VAL 36 H VAL 36 0.138 1.458 -8.088 279 HA VAL 36 HA VAL 36 1.886 -0.295 -6.778 280 HB VAL 36 HB VAL 36 1.265 1.897 -5.859 281 HG11 VAL 36 1HG1 VAL 36 -1.119 1.860 -6.379 282 HG12 VAL 36 2HG1 VAL 36 -0.831 2.226 -4.678 283 HG13 VAL 36 3HG1 VAL 36 -1.370 0.615 -5.156 284 HG21 VAL 36 3HG2 VAL 36 1.105 1.225 -3.506 285 HG22 VAL 36 1HG2 VAL 36 2.277 0.250 -4.395 286 HG23 VAL 36 2HG2 VAL 36 0.688 -0.412 -4.009 287 H LYS 37 H LYS 37 -1.571 -0.566 -7.405 288 HA LYS 37 HA LYS 37 -2.141 -2.745 -5.736 289 HB2 LYS 37 2HB LYS 37 -3.351 -1.538 -8.126 290 HB3 LYS 37 1HB LYS 37 -3.675 -3.256 -7.955 291 HG2 LYS 37 2HG LYS 37 -4.480 -2.787 -5.635 292 HG3 LYS 37 1HG LYS 37 -4.327 -1.068 -5.999 293 HD2 LYS 37 2HD LYS 37 -5.964 -1.203 -7.722 294 HD3 LYS 37 1HD LYS 37 -5.971 -2.966 -7.661 295 HE2 LYS 37 2HE LYS 37 -6.889 -2.875 -5.390 296 HE3 LYS 37 1HE LYS 37 -6.887 -1.115 -5.466 297 HZ1 LYS 37 3HZ LYS 37 -8.546 -1.118 -7.110 298 HZ2 LYS 37 1HZ LYS 37 -9.062 -2.247 -5.958 299 HZ3 LYS 37 2HZ LYS 37 -8.380 -2.780 -7.415 300 H GLN 38 H GLN 38 -0.653 -2.589 -8.909 301 HA GLN 38 HA GLN 38 -0.627 -5.406 -9.341 302 HB2 GLN 38 2HB GLN 38 1.045 -3.235 -10.623 303 HB3 GLN 38 1HB GLN 38 0.868 -4.882 -11.216 304 HG2 GLN 38 2HG GLN 38 -1.510 -4.506 -11.577 305 HG3 GLN 38 1HG GLN 38 -1.346 -2.861 -10.967 306 HE21 GLN 38 1HE2 GLN 38 -2.075 -1.974 -12.877 307 HE22 GLN 38 2HE2 GLN 38 -1.126 -1.958 -14.325 308 H LYS 39 H LYS 39 1.294 -3.224 -7.552 309 HA LYS 39 HA LYS 39 3.605 -4.967 -7.434 310 HB2 LYS 39 2HB LYS 39 2.952 -2.381 -6.010 311 HB3 LYS 39 1HB LYS 39 4.473 -3.249 -5.837 312 HG2 LYS 39 2HG LYS 39 5.009 -2.905 -8.142 313 HG3 LYS 39 1HG LYS 39 3.416 -2.224 -8.463 314 HD2 LYS 39 2HD LYS 39 5.100 -0.472 -8.289 315 HD3 LYS 39 1HD LYS 39 3.921 -0.343 -6.985 316 HE2 LYS 39 2HE LYS 39 5.479 -1.435 -5.456 317 HE3 LYS 39 1HE LYS 39 6.654 -1.600 -6.759 318 HZ1 LYS 39 3HZ LYS 39 7.051 0.318 -5.259 319 HZ2 LYS 39 1HZ LYS 39 5.601 1.006 -5.805 320 HZ3 LYS 39 2HZ LYS 39 6.887 0.753 -6.889 321 H ILE 40 H ILE 40 0.872 -4.035 -5.399 322 HA ILE 40 HA ILE 40 1.619 -5.506 -3.094 323 HB ILE 40 HB ILE 40 -1.164 -4.817 -4.074 324 HG12 ILE 40 2HG1 ILE 40 0.617 -3.396 -2.080 325 HG13 ILE 40 1HG1 ILE 40 0.319 -2.854 -3.728 326 HG21 ILE 40 1HG2 ILE 40 -1.208 -6.612 -2.431 327 HG22 ILE 40 2HG2 ILE 40 -1.840 -5.121 -1.732 328 HG23 ILE 40 3HG2 ILE 40 -0.206 -5.656 -1.339 329 HD11 ILE 40 3HD1 ILE 40 -1.749 -3.112 -1.557 330 HD12 ILE 40 1HD1 ILE 40 -2.043 -2.562 -3.208 331 HD13 ILE 40 2HD1 ILE 40 -1.020 -1.612 -2.130 332 H GLU 41 H GLU 41 -0.318 -6.314 -5.942 333 HA GLU 41 HA GLU 41 -0.959 -8.962 -5.303 334 HB2 GLU 41 2HB GLU 41 -1.978 -7.835 -7.197 335 HB3 GLU 41 1HB GLU 41 -0.414 -7.671 -7.984 336 HG2 GLU 41 2HG GLU 41 -0.319 -10.210 -7.965 337 HG3 GLU 41 1HG GLU 41 -2.031 -10.156 -7.546 338 H ARG 42 H ARG 42 1.897 -7.519 -6.697 339 HA ARG 42 HA ARG 42 3.111 -9.916 -7.607 340 HB2 ARG 42 2HB ARG 42 3.515 -7.593 -8.461 341 HB3 ARG 42 1HB ARG 42 4.419 -7.268 -6.992 342 HG2 ARG 42 2HG ARG 42 6.108 -8.810 -7.580 343 HG3 ARG 42 1HG ARG 42 5.129 -9.486 -8.886 344 HD2 ARG 42 2HD ARG 42 6.254 -6.689 -8.760 345 HD3 ARG 42 1HD ARG 42 6.838 -8.005 -9.780 346 HE ARG 42 HE ARG 42 4.087 -7.554 -10.251 347 HH11 ARG 42 1HH1 ARG 42 7.218 -6.108 -10.858 348 HH12 ARG 42 2HH1 ARG 42 6.720 -5.371 -12.357 349 HH21 ARG 42 1HH2 ARG 42 3.421 -6.539 -12.184 350 HH22 ARG 42 2HH2 ARG 42 4.571 -5.603 -13.097 351 H SER 43 H SER 43 3.002 -8.328 -4.542 352 HA SER 43 HA SER 43 5.285 -9.877 -3.566 353 HB2 SER 43 2HB SER 43 4.904 -8.377 -1.492 354 HB3 SER 43 1HB SER 43 5.566 -7.637 -2.950 355 HG SER 43 HG SER 43 3.696 -6.625 -3.319 356 H GLN 44 H GLN 44 1.996 -9.010 -2.416 357 HA GLN 44 HA GLN 44 2.028 -11.126 -0.485 358 HB2 GLN 44 2HB GLN 44 -0.263 -9.402 -1.431 359 HB3 GLN 44 1HB GLN 44 -0.321 -10.499 -0.059 360 HG2 GLN 44 2HG GLN 44 1.635 -9.167 0.881 361 HG3 GLN 44 1HG GLN 44 1.253 -7.965 -0.349 362 HE21 GLN 44 1HE2 GLN 44 1.151 -7.754 2.542 363 HE22 GLN 44 2HE2 GLN 44 -0.470 -7.319 2.943 364 H HIS 45 H HIS 45 1.297 -10.981 -3.790 365 HA HIS 45 HA HIS 45 0.507 -12.467 -5.298 366 HB2 HIS 45 2HB HIS 45 1.132 -14.323 -3.022 367 HB3 HIS 45 1HB HIS 45 0.389 -14.928 -4.498 368 HD1 HIS 45 HD1 HIS 45 1.837 -14.008 -6.753 369 HD2 HIS 45 HD2 HIS 45 3.816 -14.526 -3.132 370 HE1 HIS 45 HE1 HIS 45 4.272 -14.242 -7.339 371 HE2 HIS 45 HE2 HIS 45 5.397 -14.823 -5.158 372 H ILE 46 H ILE 46 -1.385 -10.955 -4.113 373 HA ILE 46 HA ILE 46 -3.644 -12.817 -3.822 374 HB ILE 46 HB ILE 46 -4.829 -11.016 -2.612 375 HG12 ILE 46 2HG1 ILE 46 -2.146 -9.603 -2.639 376 HG13 ILE 46 1HG1 ILE 46 -3.554 -9.113 -3.579 377 HG21 ILE 46 1HG2 ILE 46 -3.576 -11.223 -0.518 378 HG22 ILE 46 2HG2 ILE 46 -2.176 -11.814 -1.417 379 HG23 ILE 46 3HG2 ILE 46 -3.667 -12.757 -1.383 380 HD11 ILE 46 3HD1 ILE 46 -3.298 -7.757 -1.580 381 HD12 ILE 46 1HD1 ILE 46 -3.389 -9.203 -0.575 382 HD13 ILE 46 2HD1 ILE 46 -4.788 -8.699 -1.523 383 HA PRO 47 HA PRO 47 -5.427 -11.256 -7.556 384 HB2 PRO 47 2HB PRO 47 -7.981 -11.202 -6.038 385 HB3 PRO 47 1HB PRO 47 -7.594 -12.013 -7.560 386 HG2 PRO 47 2HG PRO 47 -7.850 -13.396 -5.286 387 HG3 PRO 47 1HG PRO 47 -6.634 -13.832 -6.502 388 HD2 PRO 47 2HD PRO 47 -6.293 -12.428 -3.894 389 HD3 PRO 47 1HD PRO 47 -5.219 -13.588 -4.703 390 H VAL 48 H VAL 48 -5.881 -9.292 -8.406 391 HA VAL 48 HA VAL 48 -5.520 -7.002 -6.809 392 HB VAL 48 HB VAL 48 -4.984 -7.160 -9.237 393 HG11 VAL 48 1HG1 VAL 48 -6.766 -6.700 -10.869 394 HG12 VAL 48 2HG1 VAL 48 -7.961 -6.866 -9.581 395 HG13 VAL 48 3HG1 VAL 48 -6.971 -8.248 -10.050 396 HG21 VAL 48 3HG2 VAL 48 -5.008 -5.008 -8.136 397 HG22 VAL 48 1HG2 VAL 48 -6.740 -4.854 -8.419 398 HG23 VAL 48 2HG2 VAL 48 -5.620 -4.851 -9.782 399 H SER 49 H SER 49 -8.352 -8.788 -7.692 400 HA SER 49 HA SER 49 -10.250 -6.743 -7.083 401 HB2 SER 49 2HB SER 49 -10.631 -9.743 -7.218 402 HB3 SER 49 1HB SER 49 -11.911 -8.529 -7.241 403 HG SER 49 HG SER 49 -11.212 -7.819 -9.219 404 H LYS 50 H LYS 50 -8.440 -9.026 -5.204 405 HA LYS 50 HA LYS 50 -10.183 -8.948 -2.913 406 HB2 LYS 50 2HB LYS 50 -8.735 -10.885 -3.214 407 HB3 LYS 50 1HB LYS 50 -7.307 -9.863 -3.198 408 HG2 LYS 50 2HG LYS 50 -7.842 -9.237 -0.853 409 HG3 LYS 50 1HG LYS 50 -9.170 -10.398 -0.891 410 HD2 LYS 50 2HD LYS 50 -7.596 -12.216 -1.294 411 HD3 LYS 50 1HD LYS 50 -6.256 -11.067 -1.336 412 HE2 LYS 50 2HE LYS 50 -6.688 -10.458 0.990 413 HE3 LYS 50 1HE LYS 50 -8.057 -11.564 1.039 414 HZ1 LYS 50 3HZ LYS 50 -5.200 -12.321 0.686 415 HZ2 LYS 50 1HZ LYS 50 -6.506 -13.408 0.648 416 HZ3 LYS 50 2HZ LYS 50 -6.139 -12.560 2.070 417 H GLN 51 H GLN 51 -7.634 -7.037 -4.211 418 HA GLN 51 HA GLN 51 -6.776 -5.826 -1.780 419 HB2 GLN 51 2HB GLN 51 -6.446 -4.823 -4.611 420 HB3 GLN 51 1HB GLN 51 -5.537 -4.288 -3.204 421 HG2 GLN 51 2HG GLN 51 -4.602 -6.545 -2.969 422 HG3 GLN 51 1HG GLN 51 -5.485 -7.045 -4.412 423 HE21 GLN 51 1HE2 GLN 51 -3.657 -7.537 -5.581 424 HE22 GLN 51 2HE2 GLN 51 -2.574 -6.321 -6.168 425 H THR 52 H THR 52 -8.776 -5.211 -0.842 426 HA THR 52 HA THR 52 -10.162 -2.952 -2.048 427 HB THR 52 HB THR 52 -10.696 -4.262 0.625 428 HG1 THR 52 HG1 THR 52 -10.844 -5.696 -1.268 429 HG21 THR 52 3HG2 THR 52 -12.954 -3.316 0.311 430 HG22 THR 52 1HG2 THR 52 -12.409 -2.549 -1.179 431 HG23 THR 52 2HG2 THR 52 -11.714 -2.061 0.367 432 H LEU 53 H LEU 53 -8.921 -1.172 -1.897 433 HA LEU 53 HA LEU 53 -7.058 -0.714 0.187 434 HB2 LEU 53 2HB LEU 53 -8.191 1.231 -1.828 435 HB3 LEU 53 1HB LEU 53 -6.762 1.493 -0.846 436 HG LEU 53 HG LEU 53 -7.050 -0.642 -2.965 437 HD11 LEU 53 1HD1 LEU 53 -6.963 1.624 -3.891 438 HD12 LEU 53 2HD1 LEU 53 -5.493 0.718 -4.251 439 HD13 LEU 53 3HD1 LEU 53 -5.488 1.938 -2.977 440 HD21 LEU 53 3HD2 LEU 53 -5.554 -1.287 -1.130 441 HD22 LEU 53 1HD2 LEU 53 -4.651 0.212 -1.346 442 HD23 LEU 53 2HD2 LEU 53 -4.665 -1.001 -2.627 443 H ILE 54 H ILE 54 -7.900 -0.565 2.201 444 HA ILE 54 HA ILE 54 -9.929 1.523 2.652 445 HB ILE 54 HB ILE 54 -9.278 -0.811 4.460 446 HG12 ILE 54 2HG1 ILE 54 -11.679 -0.428 2.658 447 HG13 ILE 54 1HG1 ILE 54 -10.324 -1.491 2.293 448 HG21 ILE 54 1HG2 ILE 54 -11.542 1.180 4.525 449 HG22 ILE 54 2HG2 ILE 54 -10.148 1.173 5.605 450 HG23 ILE 54 3HG2 ILE 54 -11.302 -0.160 5.648 451 HD11 ILE 54 3HD1 ILE 54 -10.829 -2.831 4.247 452 HD12 ILE 54 1HD1 ILE 54 -12.233 -2.713 3.188 453 HD13 ILE 54 2HD1 ILE 54 -12.157 -1.748 4.663 454 H VAL 55 H VAL 55 -8.920 3.329 3.229 455 HA VAL 55 HA VAL 55 -6.676 3.120 5.112 456 HB VAL 55 HB VAL 55 -6.148 5.500 4.377 457 HG11 VAL 55 1HG1 VAL 55 -5.004 4.763 2.333 458 HG12 VAL 55 2HG1 VAL 55 -5.972 3.288 2.332 459 HG13 VAL 55 3HG1 VAL 55 -4.832 3.594 3.643 460 HG21 VAL 55 3HG2 VAL 55 -8.059 4.781 2.150 461 HG22 VAL 55 1HG2 VAL 55 -6.985 6.179 2.166 462 HG23 VAL 55 2HG2 VAL 55 -8.287 6.055 3.348 463 H ASP 56 H ASP 56 -7.423 3.275 7.091 464 HA ASP 56 HA ASP 56 -8.213 4.216 8.994 465 HB2 ASP 56 2HB ASP 56 -7.420 6.372 8.381 466 HB3 ASP 56 1HB ASP 56 -8.700 6.582 7.190 467 H GLY 57 H GLY 57 -10.405 5.092 6.328 468 HA2 GLY 57 2HA GLY 57 -12.497 3.432 7.381 469 HA3 GLY 57 1HA GLY 57 -12.799 5.142 7.655 470 H ILE 58 H ILE 58 -11.488 6.000 5.230 471 HA ILE 58 HA ILE 58 -13.682 5.744 3.425 472 HB ILE 58 HB ILE 58 -10.941 6.930 2.926 473 HG12 ILE 58 2HG1 ILE 58 -13.522 8.268 3.762 474 HG13 ILE 58 1HG1 ILE 58 -12.135 7.993 4.810 475 HG21 ILE 58 1HG2 ILE 58 -13.542 7.284 1.438 476 HG22 ILE 58 2HG2 ILE 58 -12.125 6.409 0.861 477 HG23 ILE 58 3HG2 ILE 58 -12.043 8.153 1.106 478 HD11 ILE 58 3HD1 ILE 58 -12.197 10.282 4.041 479 HD12 ILE 58 1HD1 ILE 58 -12.193 9.742 2.364 480 HD13 ILE 58 2HD1 ILE 58 -10.785 9.453 3.386 481 H VAL 59 H VAL 59 -13.964 4.312 1.838 482 HA VAL 59 HA VAL 59 -11.878 2.375 1.291 483 HB VAL 59 HB VAL 59 -14.123 1.507 1.589 484 HG11 VAL 59 1HG1 VAL 59 -14.889 3.205 -0.777 485 HG12 VAL 59 2HG1 VAL 59 -15.426 3.416 0.888 486 HG13 VAL 59 3HG1 VAL 59 -15.917 1.987 -0.022 487 HG21 VAL 59 3HG2 VAL 59 -13.197 1.283 -1.270 488 HG22 VAL 59 1HG2 VAL 59 -14.334 0.193 -0.477 489 HG23 VAL 59 2HG2 VAL 59 -12.665 0.291 0.088 490 H ILE 60 H ILE 60 -10.506 2.537 -0.332 491 HA ILE 60 HA ILE 60 -10.995 4.591 -2.366 492 HB ILE 60 HB ILE 60 -8.428 3.116 -1.742 493 HG12 ILE 60 2HG1 ILE 60 -9.104 4.564 0.119 494 HG13 ILE 60 1HG1 ILE 60 -7.693 5.221 -0.703 495 HG21 ILE 60 1HG2 ILE 60 -8.572 3.902 -4.059 496 HG22 ILE 60 2HG2 ILE 60 -7.353 4.791 -3.145 497 HG23 ILE 60 3HG2 ILE 60 -8.918 5.533 -3.481 498 HD11 ILE 60 3HD1 ILE 60 -9.105 6.834 -1.856 499 HD12 ILE 60 1HD1 ILE 60 -9.284 6.963 -0.106 500 HD13 ILE 60 2HD1 ILE 60 -10.530 6.162 -1.064 501 H LEU 61 H LEU 61 -12.182 3.713 -3.946 502 HA LEU 61 HA LEU 61 -11.217 1.210 -5.157 503 HB2 LEU 61 2HB LEU 61 -13.949 2.491 -5.232 504 HB3 LEU 61 1HB LEU 61 -13.499 1.088 -6.183 505 HG LEU 61 HG LEU 61 -13.541 1.206 -3.165 506 HD11 LEU 61 1HD1 LEU 61 -15.417 -0.147 -5.096 507 HD12 LEU 61 2HD1 LEU 61 -15.780 1.285 -4.132 508 HD13 LEU 61 3HD1 LEU 61 -15.475 -0.260 -3.337 509 HD21 LEU 61 3HD2 LEU 61 -13.057 -1.106 -5.042 510 HD22 LEU 61 1HD2 LEU 61 -13.204 -1.213 -3.288 511 HD23 LEU 61 2HD2 LEU 61 -11.853 -0.338 -4.008 512 H ARG 62 H ARG 62 -10.234 3.968 -5.530 513 HA ARG 62 HA ARG 62 -10.766 4.229 -8.411 514 HB2 ARG 62 2HB ARG 62 -10.110 6.424 -6.432 515 HB3 ARG 62 1HB ARG 62 -10.260 6.645 -8.169 516 HG2 ARG 62 2HG ARG 62 -12.502 5.618 -6.448 517 HG3 ARG 62 1HG ARG 62 -12.247 7.331 -6.786 518 HD2 ARG 62 2HD ARG 62 -13.891 6.472 -8.310 519 HD3 ARG 62 1HD ARG 62 -12.417 6.821 -9.208 520 HE ARG 62 HE ARG 62 -12.430 4.115 -8.405 521 HH11 ARG 62 1HH1 ARG 62 -14.032 6.278 -10.643 522 HH12 ARG 62 2HH1 ARG 62 -14.351 5.032 -11.814 523 HH21 ARG 62 1HH2 ARG 62 -12.816 2.488 -9.932 524 HH22 ARG 62 2HH2 ARG 62 -13.640 2.869 -11.419 525 H GLU 63 H GLU 63 -9.029 2.970 -9.076 526 HA GLU 63 HA GLU 63 -6.368 3.434 -8.109 527 HB2 GLU 63 2HB GLU 63 -7.357 1.952 -10.548 528 HB3 GLU 63 1HB GLU 63 -5.673 2.028 -10.059 529 HG2 GLU 63 2HG GLU 63 -6.240 0.039 -9.147 530 HG3 GLU 63 1HG GLU 63 -6.651 1.097 -7.797 531 H ASP 64 H ASP 64 -8.425 4.962 -10.252 532 HA ASP 64 HA ASP 64 -6.780 6.075 -12.194 533 HB2 ASP 64 2HB ASP 64 -9.145 6.316 -12.362 534 HB3 ASP 64 1HB ASP 64 -9.247 7.096 -10.789 535 H LEU 65 H LEU 65 -7.111 6.873 -8.816 536 HA LEU 65 HA LEU 65 -5.839 9.459 -9.103 537 HB2 LEU 65 2HB LEU 65 -6.755 7.934 -6.666 538 HB3 LEU 65 1HB LEU 65 -6.088 9.555 -6.629 539 HG LEU 65 HG LEU 65 -8.643 8.754 -8.036 540 HD11 LEU 65 1HD1 LEU 65 -8.851 8.664 -5.605 541 HD12 LEU 65 2HD1 LEU 65 -9.763 10.016 -6.277 542 HD13 LEU 65 3HD1 LEU 65 -8.213 10.306 -5.487 543 HD21 LEU 65 3HD2 LEU 65 -7.530 10.610 -9.146 544 HD22 LEU 65 1HD2 LEU 65 -7.377 11.460 -7.608 545 HD23 LEU 65 2HD2 LEU 65 -8.973 11.171 -8.302 546 H THR 66 H THR 66 -4.137 9.920 -7.298 547 HA THR 66 HA THR 66 -2.109 7.795 -7.361 548 HB THR 66 HB THR 66 -0.456 9.786 -7.341 549 HG1 THR 66 HG1 THR 66 -2.617 11.096 -8.636 550 HG21 THR 66 3HG2 THR 66 -0.472 9.923 -9.798 551 HG22 THR 66 1HG2 THR 66 -2.063 9.166 -9.823 552 HG23 THR 66 2HG2 THR 66 -0.668 8.263 -9.234 553 H VAL 67 H VAL 67 -0.533 7.916 -5.599 554 HA VAL 67 HA VAL 67 -1.746 7.855 -3.122 555 HB VAL 67 HB VAL 67 1.188 8.315 -3.664 556 HG11 VAL 67 1HG1 VAL 67 1.544 7.251 -1.496 557 HG12 VAL 67 2HG1 VAL 67 -0.200 7.144 -1.258 558 HG13 VAL 67 3HG1 VAL 67 0.583 8.723 -1.336 559 HG21 VAL 67 3HG2 VAL 67 0.317 6.383 -4.871 560 HG22 VAL 67 1HG2 VAL 67 -0.362 5.746 -3.371 561 HG23 VAL 67 2HG2 VAL 67 1.386 5.883 -3.561 562 H GLU 68 H GLU 68 0.287 10.455 -4.441 563 HA GLU 68 HA GLU 68 0.367 12.087 -2.189 564 HB2 GLU 68 2HB GLU 68 1.793 12.404 -4.157 565 HB3 GLU 68 1HB GLU 68 0.394 12.892 -5.100 566 HG2 GLU 68 2HG GLU 68 0.100 14.844 -3.685 567 HG3 GLU 68 1HG GLU 68 1.476 14.348 -2.701 568 H GLN 69 H GLN 69 -1.923 12.197 -4.918 569 HA GLN 69 HA GLN 69 -3.285 14.476 -3.885 570 HB2 GLN 69 2HB GLN 69 -3.977 12.542 -6.090 571 HB3 GLN 69 1HB GLN 69 -4.950 13.954 -5.698 572 HG2 GLN 69 2HG GLN 69 -3.073 15.413 -6.193 573 HG3 GLN 69 1HG GLN 69 -2.057 14.013 -6.529 574 HE21 GLN 69 1HE2 GLN 69 -2.336 12.879 -8.417 575 HE22 GLN 69 2HE2 GLN 69 -3.291 13.471 -9.740 576 H CYS 70 H CYS 70 -3.523 11.131 -3.221 577 HA CYS 70 HA CYS 70 -6.246 11.304 -2.244 578 HB2 CYS 70 2HB CYS 70 -4.208 9.085 -1.952 579 HB3 CYS 70 1HB CYS 70 -5.912 8.977 -1.522 580 HG CYS 70 HG CYS 70 -4.576 9.248 -4.652 581 H GLN 71 H GLN 71 -3.173 12.094 -1.153 582 HA GLN 71 HA GLN 71 -2.212 12.567 0.835 583 HB2 GLN 71 2HB GLN 71 -5.083 13.257 1.386 584 HB3 GLN 71 1HB GLN 71 -3.842 13.468 2.614 585 HG2 GLN 71 2HG GLN 71 -3.863 14.744 -0.112 586 HG3 GLN 71 1HG GLN 71 -4.267 15.538 1.411 587 HE21 GLN 71 1HE2 GLN 71 -2.175 16.181 -0.524 588 HE22 GLN 71 2HE2 GLN 71 -0.688 16.117 0.355 589 H ILE 72 H ILE 72 -1.909 10.135 0.756 590 HA ILE 72 HA ILE 72 -3.326 8.669 2.806 591 HB ILE 72 HB ILE 72 -0.907 7.839 1.189 592 HG12 ILE 72 2HG1 ILE 72 -2.815 8.270 -0.263 593 HG13 ILE 72 1HG1 ILE 72 -2.528 6.537 -0.156 594 HG21 ILE 72 1HG2 ILE 72 -2.796 6.216 2.893 595 HG22 ILE 72 2HG2 ILE 72 -1.099 6.552 3.235 596 HG23 ILE 72 3HG2 ILE 72 -1.538 5.551 1.852 597 HD11 ILE 72 3HD1 ILE 72 -4.643 8.063 1.348 598 HD12 ILE 72 1HD1 ILE 72 -4.367 6.324 1.424 599 HD13 ILE 72 2HD1 ILE 72 -4.903 7.065 -0.083 600 H VAL 73 H VAL 73 -2.889 9.501 4.763 601 HA VAL 73 HA VAL 73 -0.148 10.049 5.550 602 HB VAL 73 HB VAL 73 -1.186 10.753 7.730 603 HG11 VAL 73 1HG1 VAL 73 -0.660 12.364 5.975 604 HG12 VAL 73 2HG1 VAL 73 -2.134 12.826 6.829 605 HG13 VAL 73 3HG1 VAL 73 -2.235 12.083 5.233 606 HG21 VAL 73 3HG2 VAL 73 -3.770 10.303 6.229 607 HG22 VAL 73 1HG2 VAL 73 -3.614 11.118 7.784 608 HG23 VAL 73 2HG2 VAL 73 -3.221 9.405 7.645 609 HA PRO 74 HA PRO 74 0.515 5.944 7.011 610 HB2 PRO 74 2HB PRO 74 2.643 7.167 8.663 611 HB3 PRO 74 1HB PRO 74 2.764 5.934 7.404 612 HG2 PRO 74 2HG PRO 74 3.614 8.425 6.975 613 HG3 PRO 74 1HG PRO 74 2.808 7.497 5.695 614 HD2 PRO 74 2HD PRO 74 1.696 9.645 7.467 615 HD3 PRO 74 1HD PRO 74 1.469 9.396 5.722 616 H THR 75 H THR 75 -0.353 8.547 9.025 617 HA THR 75 HA THR 75 -0.371 7.013 11.477 618 HB THR 75 HB THR 75 0.122 9.422 11.538 619 HG1 THR 75 HG1 THR 75 -2.257 8.579 12.876 620 HG21 THR 75 3HG2 THR 75 -1.324 10.171 9.713 621 HG22 THR 75 1HG2 THR 75 -1.658 11.068 11.194 622 HG23 THR 75 2HG2 THR 75 -2.749 9.784 10.678 623 H SER 76 H SER 76 -2.066 6.407 8.983 624 HA SER 76 HA SER 76 -4.636 6.182 10.401 625 HB2 SER 76 2HB SER 76 -4.162 6.181 7.409 626 HB3 SER 76 1HB SER 76 -5.730 6.103 8.216 627 HG SER 76 HG SER 76 -3.927 8.253 8.023 628 H ASP 77 H ASP 77 -5.739 4.198 10.279 629 HA ASP 77 HA ASP 77 -4.047 1.894 10.128 630 HB2 ASP 77 2HB ASP 77 -5.841 1.980 11.767 631 HB3 ASP 77 1HB ASP 77 -7.040 2.142 10.489 632 H ILE 78 H ILE 78 -3.390 1.127 8.241 633 HA ILE 78 HA ILE 78 -5.227 1.180 5.951 634 HB ILE 78 HB ILE 78 -2.263 0.568 5.983 635 HG12 ILE 78 2HG1 ILE 78 -3.678 3.104 5.114 636 HG13 ILE 78 1HG1 ILE 78 -2.798 2.918 6.628 637 HG21 ILE 78 1HG2 ILE 78 -2.445 0.916 3.536 638 HG22 ILE 78 2HG2 ILE 78 -4.197 1.026 3.716 639 HG23 ILE 78 3HG2 ILE 78 -3.362 -0.475 4.114 640 HD11 ILE 78 3HD1 ILE 78 -0.740 2.514 5.367 641 HD12 ILE 78 1HD1 ILE 78 -1.455 4.079 4.982 642 HD13 ILE 78 2HD1 ILE 78 -1.627 2.729 3.859 643 H GLN 79 H GLN 79 -6.469 -0.589 5.931 644 HA GLN 79 HA GLN 79 -5.153 -3.195 6.245 645 HB2 GLN 79 2HB GLN 79 -6.379 -2.472 8.350 646 HB3 GLN 79 1HB GLN 79 -7.864 -2.577 7.417 647 HG2 GLN 79 2HG GLN 79 -7.226 -4.977 6.932 648 HG3 GLN 79 1HG GLN 79 -5.987 -4.793 8.172 649 HE21 GLN 79 1HE2 GLN 79 -6.867 -6.242 9.600 650 HE22 GLN 79 2HE2 GLN 79 -8.365 -5.957 10.423 651 H LEU 80 H LEU 80 -5.595 -4.517 4.629 652 HA LEU 80 HA LEU 80 -7.743 -3.843 2.766 653 HB2 LEU 80 2HB LEU 80 -5.699 -6.063 2.580 654 HB3 LEU 80 1HB LEU 80 -6.744 -5.492 1.296 655 HG LEU 80 HG LEU 80 -4.461 -3.965 2.545 656 HD11 LEU 80 1HD1 LEU 80 -3.432 -4.196 0.349 657 HD12 LEU 80 2HD1 LEU 80 -4.814 -5.140 -0.207 658 HD13 LEU 80 3HD1 LEU 80 -3.767 -5.775 1.063 659 HD21 LEU 80 3HD2 LEU 80 -4.905 -2.269 0.847 660 HD22 LEU 80 1HD2 LEU 80 -6.289 -2.468 1.923 661 HD23 LEU 80 2HD2 LEU 80 -6.319 -3.174 0.308 662 H GLU 81 H GLU 81 -9.413 -5.285 2.250 663 HA GLU 81 HA GLU 81 -9.891 -7.397 4.224 664 HB2 GLU 81 2HB GLU 81 -11.694 -5.863 2.378 665 HB3 GLU 81 1HB GLU 81 -12.214 -7.391 3.073 666 HG2 GLU 81 2HG GLU 81 -11.744 -6.410 5.330 667 HG3 GLU 81 1HG GLU 81 -11.490 -4.862 4.523 668 H VAL 82 H VAL 82 -11.536 -9.076 2.905 669 HA VAL 82 HA VAL 82 -9.904 -10.028 0.650 670 HB VAL 82 HB VAL 82 -9.688 -11.528 2.568 671 HG11 VAL 82 1HG1 VAL 82 -12.679 -11.850 2.379 672 HG12 VAL 82 2HG1 VAL 82 -11.786 -11.089 3.695 673 HG13 VAL 82 3HG1 VAL 82 -11.607 -12.817 3.392 674 HG21 VAL 82 3HG2 VAL 82 -9.562 -12.495 0.360 675 HG22 VAL 82 1HG2 VAL 82 -11.315 -12.683 0.309 676 HG23 VAL 82 2HG2 VAL 82 -10.361 -13.624 1.457 677 H SER 83 H SER 83 -10.903 -10.380 -1.228 678 HA SER 83 HA SER 83 -13.777 -10.763 -1.316 679 HB2 SER 83 2HB SER 83 -13.364 -8.284 -1.475 680 HB3 SER 83 1HB SER 83 -12.447 -8.584 -2.950 681 HG SER 83 HG SER 83 -14.288 -8.537 -3.938 682 H SER 84 H SER 84 -13.979 -12.558 -2.460 683 HA SER 84 HA SER 84 -12.693 -12.730 -5.064 684 HB2 SER 84 2HB SER 84 -11.185 -13.925 -3.472 685 HB3 SER 84 1HB SER 84 -12.526 -14.983 -3.037 686 HG SER 84 HG SER 84 -11.967 -16.150 -4.678 Start of MODEL 11 1 H1 MET 1 1H MET 1 23.376 17.142 5.529 2 H2 MET 1 2H MET 1 23.768 17.101 3.880 3 H3 MET 1 3H MET 1 22.575 16.060 4.492 4 HA MET 1 HA MET 1 21.502 17.815 3.342 5 HB2 MET 1 2HB MET 1 20.395 17.055 5.372 6 HB3 MET 1 1HB MET 1 21.354 18.161 6.344 7 HG2 MET 1 2HG MET 1 19.122 19.020 6.037 8 HG3 MET 1 1HG MET 1 20.294 20.058 5.228 9 HE1 MET 1 3HE MET 1 18.411 21.245 3.802 10 HE2 MET 1 1HE MET 1 17.213 20.277 4.662 11 HE3 MET 1 2HE MET 1 17.174 20.367 2.902 12 H GLY 2 H GLY 2 22.078 19.573 2.293 13 HA2 GLY 2 2HA GLY 2 23.804 21.543 3.611 14 HA3 GLY 2 1HA GLY 2 23.482 21.438 1.887 15 H HIS 3 H HIS 3 22.676 23.376 1.388 16 HA HIS 3 HA HIS 3 20.595 24.537 3.091 17 HB2 HIS 3 2HB HIS 3 22.592 25.885 2.274 18 HB3 HIS 3 1HB HIS 3 21.890 25.787 0.663 19 HD1 HIS 3 HD1 HIS 3 20.542 27.776 0.075 20 HD2 HIS 3 HD2 HIS 3 20.547 27.054 4.173 21 HE1 HIS 3 HE1 HIS 3 19.221 29.654 1.102 22 HE2 HIS 3 HE2 HIS 3 19.121 29.126 3.563 23 H HIS 4 H HIS 4 21.083 22.903 0.111 24 HA HIS 4 HA HIS 4 18.519 23.637 -1.015 25 HB2 HIS 4 2HB HIS 4 20.679 21.706 -1.844 26 HB3 HIS 4 1HB HIS 4 19.114 21.732 -2.646 27 HD1 HIS 4 HD1 HIS 4 19.905 22.606 -4.885 28 HD2 HIS 4 HD2 HIS 4 21.054 25.021 -1.699 29 HE1 HIS 4 HE1 HIS 4 20.832 24.700 -5.921 30 HE2 HIS 4 HE2 HIS 4 21.339 26.219 -3.975 31 H HIS 5 H HIS 5 16.659 22.498 -0.898 32 HA HIS 5 HA HIS 5 16.741 20.051 0.736 33 HB2 HIS 5 2HB HIS 5 14.445 20.762 1.581 34 HB3 HIS 5 1HB HIS 5 15.830 21.651 2.197 35 HD1 HIS 5 HD1 HIS 5 12.725 22.050 0.165 36 HD2 HIS 5 HD2 HIS 5 15.994 24.334 1.359 37 HE1 HIS 5 HE1 HIS 5 12.106 24.438 -0.329 38 HE2 HIS 5 HE2 HIS 5 14.045 25.814 0.513 39 H HIS 6 H HIS 6 15.709 18.344 0.038 40 HA HIS 6 HA HIS 6 13.689 18.576 -2.064 41 HB2 HIS 6 2HB HIS 6 14.819 16.653 -3.286 42 HB3 HIS 6 1HB HIS 6 15.626 18.212 -3.403 43 HD1 HIS 6 HD1 HIS 6 18.055 18.153 -2.989 44 HD2 HIS 6 HD2 HIS 6 16.094 14.976 -1.154 45 HE1 HIS 6 HE1 HIS 6 19.860 16.759 -1.927 46 HE2 HIS 6 HE2 HIS 6 18.629 14.963 -0.657 47 H HIS 7 H HIS 7 12.746 16.272 -2.476 48 HA HIS 7 HA HIS 7 12.646 14.832 0.094 49 HB2 HIS 7 2HB HIS 7 10.316 15.689 -1.628 50 HB3 HIS 7 1HB HIS 7 10.180 14.473 -0.363 51 HD1 HIS 7 HD1 HIS 7 9.669 15.319 1.924 52 HD2 HIS 7 HD2 HIS 7 11.154 18.302 -0.565 53 HE1 HIS 7 HE1 HIS 7 9.501 17.453 3.243 54 HE2 HIS 7 HE2 HIS 7 10.643 19.184 1.811 55 H HIS 8 H HIS 8 12.184 12.624 -0.013 56 HA HIS 8 HA HIS 8 13.281 11.331 -2.319 57 HB2 HIS 8 2HB HIS 8 11.964 10.211 0.161 58 HB3 HIS 8 1HB HIS 8 12.699 9.217 -1.089 59 HD1 HIS 8 HD1 HIS 8 15.210 8.939 -1.040 60 HD2 HIS 8 HD2 HIS 8 13.816 11.718 1.725 61 HE1 HIS 8 HE1 HIS 8 17.165 9.446 0.458 62 HE2 HIS 8 HE2 HIS 8 16.255 11.008 2.211 63 H SER 9 H SER 9 10.063 11.639 -0.922 64 HA SER 9 HA SER 9 7.969 11.303 -1.732 65 HB2 SER 9 2HB SER 9 9.281 10.796 -4.415 66 HB3 SER 9 1HB SER 9 7.570 11.115 -4.132 67 HG SER 9 HG SER 9 9.746 12.885 -3.679 68 H HIS 10 H HIS 10 9.830 9.203 -0.772 69 HA HIS 10 HA HIS 10 8.383 6.839 -1.777 70 HB2 HIS 10 2HB HIS 10 11.338 7.097 -1.186 71 HB3 HIS 10 1HB HIS 10 10.525 5.543 -1.258 72 HD1 HIS 10 HD1 HIS 10 11.059 4.448 -3.385 73 HD2 HIS 10 HD2 HIS 10 10.594 8.554 -3.850 74 HE1 HIS 10 HE1 HIS 10 11.448 4.908 -5.826 75 HE2 HIS 10 HE2 HIS 10 10.924 7.356 -6.112 76 H MET 11 H MET 11 7.162 6.091 -0.150 77 HA MET 11 HA MET 11 8.346 6.077 2.549 78 HB2 MET 11 2HB MET 11 5.527 6.845 1.798 79 HB3 MET 11 1HB MET 11 6.008 6.437 3.438 80 HG2 MET 11 2HG MET 11 7.635 8.286 3.389 81 HG3 MET 11 1HG MET 11 7.057 8.718 1.778 82 HE1 MET 11 3HE MET 11 5.636 11.593 4.039 83 HE2 MET 11 1HE MET 11 6.621 11.203 2.632 84 HE3 MET 11 2HE MET 11 7.176 10.761 4.246 85 H LYS 12 H LYS 12 7.902 4.311 3.831 86 HA LYS 12 HA LYS 12 6.626 2.047 2.454 87 HB2 LYS 12 2HB LYS 12 8.536 2.113 4.803 88 HB3 LYS 12 1HB LYS 12 7.804 0.653 4.155 89 HG2 LYS 12 2HG LYS 12 8.972 0.924 2.076 90 HG3 LYS 12 1HG LYS 12 9.596 2.493 2.587 91 HD2 LYS 12 2HD LYS 12 11.265 0.681 2.799 92 HD3 LYS 12 1HD LYS 12 10.894 1.452 4.343 93 HE2 LYS 12 2HE LYS 12 9.417 -0.383 4.929 94 HE3 LYS 12 1HE LYS 12 9.700 -1.138 3.362 95 HZ1 LYS 12 3HZ LYS 12 11.767 -0.671 5.449 96 HZ2 LYS 12 1HZ LYS 12 12.024 -1.417 3.947 97 HZ3 LYS 12 2HZ LYS 12 11.031 -2.156 5.105 98 H PHE 13 H PHE 13 4.513 1.942 2.985 99 HA PHE 13 HA PHE 13 3.778 2.501 5.777 100 HB2 PHE 13 2HB PHE 13 1.584 2.968 5.072 101 HB3 PHE 13 1HB PHE 13 2.589 3.676 3.817 102 HD1 PHE 13 HD1 PHE 13 2.977 2.254 1.701 103 HD2 PHE 13 HD2 PHE 13 -0.113 1.506 4.526 104 HE1 PHE 13 HE1 PHE 13 1.730 0.984 0.000 105 HE2 PHE 13 HE2 PHE 13 -1.363 0.235 2.834 106 HZ PHE 13 HZ PHE 13 -0.440 -0.028 0.568 107 H LEU 14 H LEU 14 2.315 1.017 6.858 108 HA LEU 14 HA LEU 14 3.058 -1.710 6.214 109 HB2 LEU 14 2HB LEU 14 3.178 -0.841 8.541 110 HB3 LEU 14 1HB LEU 14 1.431 -0.686 8.534 111 HG LEU 14 HG LEU 14 1.315 -3.164 8.075 112 HD11 LEU 14 1HD1 LEU 14 3.581 -3.477 7.252 113 HD12 LEU 14 2HD1 LEU 14 3.281 -4.493 8.663 114 HD13 LEU 14 3HD1 LEU 14 4.230 -3.016 8.827 115 HD21 LEU 14 3HD2 LEU 14 1.707 -3.774 10.406 116 HD22 LEU 14 1HD2 LEU 14 0.867 -2.230 10.272 117 HD23 LEU 14 2HD2 LEU 14 2.589 -2.267 10.651 118 H VAL 15 H VAL 15 1.885 -2.672 4.716 119 HA VAL 15 HA VAL 15 -0.921 -2.196 4.361 120 HB VAL 15 HB VAL 15 0.675 -4.529 3.287 121 HG11 VAL 15 1HG1 VAL 15 -1.839 -3.182 2.319 122 HG12 VAL 15 2HG1 VAL 15 -1.726 -4.767 3.084 123 HG13 VAL 15 3HG1 VAL 15 -1.001 -4.498 1.499 124 HG21 VAL 15 3HG2 VAL 15 0.332 -1.782 2.096 125 HG22 VAL 15 1HG2 VAL 15 1.022 -3.175 1.260 126 HG23 VAL 15 2HG2 VAL 15 1.835 -2.502 2.674 127 H GLU 16 H GLU 16 -2.161 -2.769 6.046 128 HA GLU 16 HA GLU 16 -1.547 -5.147 7.589 129 HB2 GLU 16 2HB GLU 16 -2.324 -2.953 8.595 130 HB3 GLU 16 1HB GLU 16 -3.909 -3.294 7.912 131 HG2 GLU 16 2HG GLU 16 -3.921 -3.954 10.201 132 HG3 GLU 16 1HG GLU 16 -3.950 -5.413 9.210 133 H ASN 17 H ASN 17 -2.005 -6.904 6.275 134 HA ASN 17 HA ASN 17 -4.532 -7.107 4.911 135 HB2 ASN 17 2HB ASN 17 -2.384 -8.240 4.157 136 HB3 ASN 17 1HB ASN 17 -2.601 -9.361 5.497 137 HD21 ASN 17 1HD2 ASN 17 -2.511 -10.014 2.726 138 HD22 ASN 17 2HD2 ASN 17 -4.041 -10.716 2.320 139 H LEU 18 H LEU 18 -6.305 -7.253 6.092 140 HA LEU 18 HA LEU 18 -6.389 -7.999 8.795 141 HB2 LEU 18 2HB LEU 18 -8.042 -6.540 7.682 142 HB3 LEU 18 1HB LEU 18 -8.641 -7.920 6.786 143 HG LEU 18 HG LEU 18 -9.324 -8.975 8.928 144 HD11 LEU 18 1HD1 LEU 18 -9.423 -7.588 10.943 145 HD12 LEU 18 2HD1 LEU 18 -8.538 -6.313 10.106 146 HD13 LEU 18 3HD1 LEU 18 -7.762 -7.865 10.420 147 HD21 LEU 18 3HD2 LEU 18 -10.455 -6.235 8.381 148 HD22 LEU 18 1HD2 LEU 18 -11.245 -7.502 9.320 149 HD23 LEU 18 2HD2 LEU 18 -10.935 -7.742 7.601 150 H ASN 19 H ASN 19 -6.690 -9.845 5.873 151 HA ASN 19 HA ASN 19 -7.325 -12.241 7.465 152 HB2 ASN 19 2HB ASN 19 -7.882 -11.718 4.532 153 HB3 ASN 19 1HB ASN 19 -8.252 -13.211 5.387 154 HD21 ASN 19 1HD2 ASN 19 -9.860 -13.164 7.018 155 HD22 ASN 19 2HD2 ASN 19 -11.106 -11.959 7.003 156 H GLY 20 H GLY 20 -4.706 -10.950 6.884 157 HA2 GLY 20 2HA GLY 20 -3.334 -13.343 5.961 158 HA3 GLY 20 1HA GLY 20 -3.121 -11.913 4.961 159 H SER 21 H SER 21 -1.153 -11.121 5.332 160 HA SER 21 HA SER 21 -0.310 -10.791 8.124 161 HB2 SER 21 2HB SER 21 2.046 -11.288 7.289 162 HB3 SER 21 1HB SER 21 0.946 -12.662 7.385 163 HG SER 21 HG SER 21 2.058 -11.399 5.164 164 H SER 22 H SER 22 1.169 -9.077 8.516 165 HA SER 22 HA SER 22 0.600 -6.722 7.011 166 HB2 SER 22 2HB SER 22 2.803 -6.975 9.053 167 HB3 SER 22 1HB SER 22 1.789 -5.578 8.696 168 HG SER 22 HG SER 22 0.046 -6.609 9.663 169 H PHE 23 H PHE 23 2.085 -5.396 5.851 170 HA PHE 23 HA PHE 23 4.749 -6.384 5.277 171 HB2 PHE 23 2HB PHE 23 3.495 -7.650 3.637 172 HB3 PHE 23 1HB PHE 23 2.618 -6.212 3.132 173 HD1 PHE 23 HD1 PHE 23 5.896 -7.893 3.082 174 HD2 PHE 23 HD2 PHE 23 3.529 -4.705 1.549 175 HE1 PHE 23 HE1 PHE 23 7.592 -7.467 1.347 176 HE2 PHE 23 HE2 PHE 23 5.217 -4.267 -0.182 177 HZ PHE 23 HZ PHE 23 7.253 -5.655 -0.286 178 H GLU 24 H GLU 24 6.106 -4.696 5.021 179 HA GLU 24 HA GLU 24 5.043 -2.007 4.851 180 HB2 GLU 24 2HB GLU 24 7.914 -2.954 4.760 181 HB3 GLU 24 1HB GLU 24 7.381 -1.292 4.961 182 HG2 GLU 24 2HG GLU 24 6.405 -1.833 7.104 183 HG3 GLU 24 1HG GLU 24 6.848 -3.529 6.898 184 H LEU 25 H LEU 25 4.276 -1.420 2.888 185 HA LEU 25 HA LEU 25 5.797 -2.240 0.511 186 HB2 LEU 25 2HB LEU 25 3.373 -2.763 0.557 187 HB3 LEU 25 1HB LEU 25 3.026 -1.050 0.690 188 HG LEU 25 HG LEU 25 4.252 -0.779 -1.523 189 HD11 LEU 25 1HD1 LEU 25 4.303 -2.760 -2.967 190 HD12 LEU 25 2HD1 LEU 25 3.879 -3.760 -1.577 191 HD13 LEU 25 3HD1 LEU 25 5.410 -2.883 -1.602 192 HD21 LEU 25 3HD2 LEU 25 2.290 -1.391 -2.823 193 HD22 LEU 25 1HD2 LEU 25 1.829 -0.622 -1.303 194 HD23 LEU 25 2HD2 LEU 25 1.699 -2.372 -1.482 195 H GLU 26 H GLU 26 6.808 -0.785 -0.742 196 HA GLU 26 HA GLU 26 7.004 1.938 0.185 197 HB2 GLU 26 2HB GLU 26 9.037 0.938 -0.615 198 HB3 GLU 26 1HB GLU 26 8.275 0.472 -2.130 199 HG2 GLU 26 2HG GLU 26 7.955 2.939 -2.582 200 HG3 GLU 26 1HG GLU 26 9.014 3.232 -1.204 201 H VAL 27 H VAL 27 5.556 3.411 -0.363 202 HA VAL 27 HA VAL 27 4.377 3.254 -3.052 203 HB VAL 27 HB VAL 27 2.756 5.003 -2.185 204 HG11 VAL 27 1HG1 VAL 27 2.083 2.714 -2.532 205 HG12 VAL 27 2HG1 VAL 27 1.355 3.316 -1.042 206 HG13 VAL 27 3HG1 VAL 27 2.754 2.244 -0.970 207 HG21 VAL 27 3HG2 VAL 27 3.876 4.105 0.467 208 HG22 VAL 27 1HG2 VAL 27 2.415 5.070 0.249 209 HG23 VAL 27 2HG2 VAL 27 3.984 5.725 -0.222 210 H ASP 28 H ASP 28 4.788 4.764 -4.506 211 HA ASP 28 HA ASP 28 6.568 6.971 -3.750 212 HB2 ASP 28 2HB ASP 28 7.057 5.381 -5.712 213 HB3 ASP 28 1HB ASP 28 5.710 6.155 -6.535 214 H TYR 29 H TYR 29 5.913 9.121 -4.075 215 HA TYR 29 HA TYR 29 3.107 9.576 -4.004 216 HB2 TYR 29 2HB TYR 29 5.521 11.330 -3.996 217 HB3 TYR 29 1HB TYR 29 3.948 12.054 -4.321 218 HD1 TYR 29 HD1 TYR 29 2.141 11.852 -2.631 219 HD2 TYR 29 HD2 TYR 29 6.139 10.701 -1.763 220 HE1 TYR 29 HE1 TYR 29 1.629 11.939 -0.229 221 HE2 TYR 29 HE2 TYR 29 5.644 10.788 0.647 222 HH TYR 29 HH TYR 29 2.539 10.871 1.884 223 H ARG 30 H ARG 30 5.224 9.030 -6.529 224 HA ARG 30 HA ARG 30 3.623 10.441 -8.512 225 HB2 ARG 30 2HB ARG 30 6.083 10.396 -8.691 226 HB3 ARG 30 1HB ARG 30 6.036 8.646 -8.820 227 HG2 ARG 30 2HG ARG 30 4.886 8.788 -10.928 228 HG3 ARG 30 1HG ARG 30 4.779 10.546 -10.784 229 HD2 ARG 30 2HD ARG 30 7.197 10.720 -10.845 230 HD3 ARG 30 1HD ARG 30 7.342 8.965 -10.909 231 HE ARG 30 HE ARG 30 6.425 9.017 -13.116 232 HH11 ARG 30 1HH1 ARG 30 7.204 12.163 -11.777 233 HH12 ARG 30 2HH1 ARG 30 7.336 12.934 -13.334 234 HH21 ARG 30 1HH2 ARG 30 6.604 10.012 -15.152 235 HH22 ARG 30 2HH2 ARG 30 6.981 11.705 -15.262 236 H ASP 31 H ASP 31 3.514 7.524 -6.878 237 HA ASP 31 HA ASP 31 2.643 5.797 -8.986 238 HB2 ASP 31 2HB ASP 31 2.545 5.611 -5.986 239 HB3 ASP 31 1HB ASP 31 1.682 4.448 -6.981 240 H THR 32 H THR 32 0.644 5.393 -9.730 241 HA THR 32 HA THR 32 -1.575 6.986 -8.750 242 HB THR 32 HB THR 32 -2.863 5.856 -10.575 243 HG1 THR 32 HG1 THR 32 -1.087 4.822 -12.101 244 HG21 THR 32 3HG2 THR 32 -1.733 6.968 -12.433 245 HG22 THR 32 1HG2 THR 32 -0.263 7.107 -11.468 246 HG23 THR 32 2HG2 THR 32 -1.715 7.984 -10.992 247 H LEU 33 H LEU 33 -3.671 5.857 -8.275 248 HA LEU 33 HA LEU 33 -3.166 3.743 -6.390 249 HB2 LEU 33 2HB LEU 33 -5.735 5.086 -7.223 250 HB3 LEU 33 1HB LEU 33 -5.588 3.931 -5.908 251 HG LEU 33 HG LEU 33 -4.210 6.619 -6.041 252 HD11 LEU 33 1HD1 LEU 33 -5.707 7.240 -4.215 253 HD12 LEU 33 2HD1 LEU 33 -6.518 5.680 -4.349 254 HD13 LEU 33 3HD1 LEU 33 -6.605 6.837 -5.677 255 HD21 LEU 33 3HD2 LEU 33 -4.298 4.582 -3.821 256 HD22 LEU 33 1HD2 LEU 33 -3.525 6.165 -3.755 257 HD23 LEU 33 2HD2 LEU 33 -2.904 4.924 -4.845 258 H LEU 34 H LEU 34 -3.262 3.616 -9.544 259 HA LEU 34 HA LEU 34 -4.747 1.114 -9.780 260 HB2 LEU 34 2HB LEU 34 -4.998 2.671 -11.614 261 HB3 LEU 34 1HB LEU 34 -3.261 2.805 -11.793 262 HG LEU 34 HG LEU 34 -3.184 0.418 -12.490 263 HD11 LEU 34 1HD1 LEU 34 -5.291 -0.678 -13.125 264 HD12 LEU 34 2HD1 LEU 34 -6.187 0.658 -12.401 265 HD13 LEU 34 3HD1 LEU 34 -5.185 -0.383 -11.388 266 HD21 LEU 34 3HD2 LEU 34 -4.105 0.786 -14.715 267 HD22 LEU 34 1HD2 LEU 34 -3.257 2.220 -14.140 268 HD23 LEU 34 2HD2 LEU 34 -5.020 2.171 -14.118 269 H VAL 35 H VAL 35 -1.459 2.395 -10.224 270 HA VAL 35 HA VAL 35 -0.251 -0.103 -10.771 271 HB VAL 35 HB VAL 35 1.032 2.423 -9.705 272 HG11 VAL 35 1HG1 VAL 35 2.477 0.498 -9.387 273 HG12 VAL 35 2HG1 VAL 35 3.105 1.529 -10.672 274 HG13 VAL 35 3HG1 VAL 35 2.260 0.033 -11.074 275 HG21 VAL 35 3HG2 VAL 35 -0.157 2.797 -11.807 276 HG22 VAL 35 1HG2 VAL 35 0.716 1.454 -12.545 277 HG23 VAL 35 2HG2 VAL 35 1.589 2.899 -12.034 278 H VAL 36 H VAL 36 -0.882 1.662 -7.802 279 HA VAL 36 HA VAL 36 0.861 0.287 -6.110 280 HB VAL 36 HB VAL 36 -0.341 2.363 -5.476 281 HG11 VAL 36 1HG1 VAL 36 -2.558 1.849 -6.284 282 HG12 VAL 36 2HG1 VAL 36 -2.618 2.189 -4.554 283 HG13 VAL 36 3HG1 VAL 36 -2.702 0.524 -5.129 284 HG21 VAL 36 3HG2 VAL 36 -0.635 1.794 -3.131 285 HG22 VAL 36 1HG2 VAL 36 0.774 0.964 -3.795 286 HG23 VAL 36 2HG2 VAL 36 -0.731 0.082 -3.543 287 H LYS 37 H LYS 37 -2.336 -0.606 -7.292 288 HA LYS 37 HA LYS 37 -2.822 -2.719 -5.475 289 HB2 LYS 37 2HB LYS 37 -3.814 -2.286 -8.297 290 HB3 LYS 37 1HB LYS 37 -4.412 -3.543 -7.223 291 HG2 LYS 37 2HG LYS 37 -5.166 -1.815 -5.650 292 HG3 LYS 37 1HG LYS 37 -4.614 -0.572 -6.779 293 HD2 LYS 37 2HD LYS 37 -6.167 -1.402 -8.469 294 HD3 LYS 37 1HD LYS 37 -6.693 -2.682 -7.376 295 HE2 LYS 37 2HE LYS 37 -7.533 -1.002 -5.815 296 HE3 LYS 37 1HE LYS 37 -7.000 0.279 -6.905 297 HZ1 LYS 37 3HZ LYS 37 -8.501 -0.692 -8.611 298 HZ2 LYS 37 1HZ LYS 37 -9.313 -0.082 -7.253 299 HZ3 LYS 37 2HZ LYS 37 -9.109 -1.751 -7.429 300 H GLN 38 H GLN 38 -1.110 -2.517 -8.524 301 HA GLN 38 HA GLN 38 -0.757 -5.332 -8.838 302 HB2 GLN 38 2HB GLN 38 0.793 -3.051 -10.080 303 HB3 GLN 38 1HB GLN 38 0.794 -4.725 -10.629 304 HG2 GLN 38 2HG GLN 38 -1.586 -4.559 -11.147 305 HG3 GLN 38 1HG GLN 38 -1.592 -2.886 -10.595 306 HE21 GLN 38 1HE2 GLN 38 -2.236 -2.088 -12.569 307 HE22 GLN 38 2HE2 GLN 38 -1.202 -2.051 -13.957 308 H LYS 39 H LYS 39 1.006 -2.741 -7.312 309 HA LYS 39 HA LYS 39 3.385 -4.223 -6.794 310 HB2 LYS 39 2HB LYS 39 2.244 -1.733 -5.510 311 HB3 LYS 39 1HB LYS 39 3.844 -2.376 -5.164 312 HG2 LYS 39 2HG LYS 39 4.565 -1.989 -7.410 313 HG3 LYS 39 1HG LYS 39 2.932 -1.559 -7.913 314 HD2 LYS 39 2HD LYS 39 4.374 0.411 -7.626 315 HD3 LYS 39 1HD LYS 39 2.999 0.427 -6.523 316 HE2 LYS 39 2HE LYS 39 4.366 -0.252 -4.692 317 HE3 LYS 39 1HE LYS 39 5.735 -0.566 -5.758 318 HZ1 LYS 39 3HZ LYS 39 5.584 1.632 -4.403 319 HZ2 LYS 39 1HZ LYS 39 4.598 2.146 -5.682 320 HZ3 LYS 39 2HZ LYS 39 6.192 1.645 -5.979 321 H ILE 40 H ILE 40 0.372 -3.652 -5.061 322 HA ILE 40 HA ILE 40 1.099 -5.056 -2.696 323 HB ILE 40 HB ILE 40 -1.636 -4.505 -3.869 324 HG12 ILE 40 2HG1 ILE 40 -0.111 -3.122 -1.647 325 HG13 ILE 40 1HG1 ILE 40 -0.328 -2.490 -3.276 326 HG21 ILE 40 1HG2 ILE 40 -1.689 -6.414 -2.348 327 HG22 ILE 40 2HG2 ILE 40 -2.512 -5.019 -1.648 328 HG23 ILE 40 3HG2 ILE 40 -0.890 -5.452 -1.105 329 HD11 ILE 40 3HD1 ILE 40 -2.524 -3.028 -1.297 330 HD12 ILE 40 1HD1 ILE 40 -2.727 -2.364 -2.917 331 HD13 ILE 40 2HD1 ILE 40 -1.849 -1.449 -1.693 332 H GLU 41 H GLU 41 -0.504 -5.960 -5.709 333 HA GLU 41 HA GLU 41 -1.253 -8.568 -5.113 334 HB2 GLU 41 2HB GLU 41 -1.913 -7.344 -7.144 335 HB3 GLU 41 1HB GLU 41 -0.267 -7.460 -7.749 336 HG2 GLU 41 2HG GLU 41 -0.479 -9.900 -7.833 337 HG3 GLU 41 1HG GLU 41 -2.133 -9.767 -7.234 338 H ARG 42 H ARG 42 1.814 -7.334 -6.355 339 HA ARG 42 HA ARG 42 3.106 -9.794 -6.738 340 HB2 ARG 42 2HB ARG 42 3.858 -7.575 -7.614 341 HB3 ARG 42 1HB ARG 42 4.371 -7.154 -5.986 342 HG2 ARG 42 2HG ARG 42 5.868 -9.188 -6.067 343 HG3 ARG 42 1HG ARG 42 5.495 -9.275 -7.790 344 HD2 ARG 42 2HD ARG 42 7.525 -8.079 -7.617 345 HD3 ARG 42 1HD ARG 42 6.277 -6.879 -7.952 346 HE ARG 42 HE ARG 42 6.892 -7.293 -5.147 347 HH11 ARG 42 1HH1 ARG 42 7.445 -5.354 -8.022 348 HH12 ARG 42 2HH1 ARG 42 8.189 -4.056 -7.139 349 HH21 ARG 42 1HH2 ARG 42 7.820 -5.590 -4.000 350 HH22 ARG 42 2HH2 ARG 42 8.395 -4.175 -4.847 351 H SER 43 H SER 43 2.504 -7.945 -3.859 352 HA SER 43 HA SER 43 4.580 -9.370 -2.378 353 HB2 SER 43 2HB SER 43 2.792 -7.108 -1.464 354 HB3 SER 43 1HB SER 43 4.216 -7.728 -0.628 355 HG SER 43 HG SER 43 4.055 -6.213 -2.999 356 H GLN 44 H GLN 44 1.080 -8.722 -2.148 357 HA GLN 44 HA GLN 44 0.816 -10.545 0.087 358 HB2 GLN 44 2HB GLN 44 -1.177 -8.901 -1.467 359 HB3 GLN 44 1HB GLN 44 -1.635 -9.972 -0.151 360 HG2 GLN 44 2HG GLN 44 0.300 -7.679 0.119 361 HG3 GLN 44 1HG GLN 44 -1.416 -7.591 0.511 362 HE21 GLN 44 1HE2 GLN 44 0.892 -7.209 2.243 363 HE22 GLN 44 2HE2 GLN 44 0.734 -8.368 3.517 364 H HIS 45 H HIS 45 0.774 -10.799 -3.274 365 HA HIS 45 HA HIS 45 0.474 -12.538 -4.691 366 HB2 HIS 45 2HB HIS 45 0.004 -14.117 -2.159 367 HB3 HIS 45 1HB HIS 45 0.041 -14.830 -3.767 368 HD1 HIS 45 HD1 HIS 45 2.320 -15.137 -4.881 369 HD2 HIS 45 HD2 HIS 45 2.512 -13.275 -1.167 370 HE1 HIS 45 HE1 HIS 45 4.752 -15.158 -4.236 371 HE2 HIS 45 HE2 HIS 45 4.859 -13.968 -2.012 372 H ILE 46 H ILE 46 -1.818 -10.948 -3.247 373 HA ILE 46 HA ILE 46 -4.022 -12.605 -4.237 374 HB ILE 46 HB ILE 46 -5.518 -10.975 -3.089 375 HG12 ILE 46 2HG1 ILE 46 -2.932 -9.897 -1.936 376 HG13 ILE 46 1HG1 ILE 46 -3.971 -9.047 -3.075 377 HG21 ILE 46 1HG2 ILE 46 -3.452 -12.337 -1.369 378 HG22 ILE 46 2HG2 ILE 46 -4.922 -13.061 -2.023 379 HG23 ILE 46 3HG2 ILE 46 -5.032 -11.780 -0.815 380 HD11 ILE 46 3HD1 ILE 46 -4.310 -8.235 -0.821 381 HD12 ILE 46 1HD1 ILE 46 -4.706 -9.864 -0.273 382 HD13 ILE 46 2HD1 ILE 46 -5.766 -9.034 -1.411 383 HA PRO 47 HA PRO 47 -3.988 -10.337 -8.006 384 HB2 PRO 47 2HB PRO 47 -6.651 -10.826 -8.638 385 HB3 PRO 47 1HB PRO 47 -5.291 -11.884 -9.023 386 HG2 PRO 47 2HG PRO 47 -7.239 -12.041 -6.769 387 HG3 PRO 47 1HG PRO 47 -6.520 -13.350 -7.725 388 HD2 PRO 47 2HD PRO 47 -5.669 -12.795 -5.247 389 HD3 PRO 47 1HD PRO 47 -4.537 -13.302 -6.520 390 H VAL 48 H VAL 48 -4.653 -8.415 -8.832 391 HA VAL 48 HA VAL 48 -5.367 -6.320 -7.216 392 HB VAL 48 HB VAL 48 -5.903 -6.612 -10.177 393 HG11 VAL 48 1HG1 VAL 48 -7.197 -4.771 -9.296 394 HG12 VAL 48 2HG1 VAL 48 -5.841 -4.151 -10.238 395 HG13 VAL 48 3HG1 VAL 48 -5.775 -4.126 -8.476 396 HG21 VAL 48 3HG2 VAL 48 -3.566 -6.961 -9.585 397 HG22 VAL 48 1HG2 VAL 48 -3.549 -5.433 -8.704 398 HG23 VAL 48 2HG2 VAL 48 -3.774 -5.441 -10.455 399 H SER 49 H SER 49 -7.525 -8.454 -9.014 400 HA SER 49 HA SER 49 -9.860 -6.873 -8.536 401 HB2 SER 49 2HB SER 49 -10.969 -9.066 -9.411 402 HB3 SER 49 1HB SER 49 -9.984 -8.096 -10.506 403 HG SER 49 HG SER 49 -9.408 -10.569 -9.281 404 H LYS 50 H LYS 50 -8.128 -8.557 -6.355 405 HA LYS 50 HA LYS 50 -10.555 -9.292 -4.842 406 HB2 LYS 50 2HB LYS 50 -7.860 -10.621 -4.925 407 HB3 LYS 50 1HB LYS 50 -8.931 -10.826 -3.546 408 HG2 LYS 50 2HG LYS 50 -10.662 -11.701 -5.069 409 HG3 LYS 50 1HG LYS 50 -9.510 -11.573 -6.401 410 HD2 LYS 50 2HD LYS 50 -8.040 -13.161 -5.361 411 HD3 LYS 50 1HD LYS 50 -9.029 -13.188 -3.900 412 HE2 LYS 50 2HE LYS 50 -9.977 -14.060 -6.623 413 HE3 LYS 50 1HE LYS 50 -9.368 -15.154 -5.382 414 HZ1 LYS 50 3HZ LYS 50 -11.709 -13.360 -5.037 415 HZ2 LYS 50 1HZ LYS 50 -11.158 -14.524 -3.940 416 HZ3 LYS 50 2HZ LYS 50 -11.810 -15.000 -5.433 417 H GLN 51 H GLN 51 -8.480 -6.903 -5.059 418 HA GLN 51 HA GLN 51 -7.686 -6.781 -2.252 419 HB2 GLN 51 2HB GLN 51 -6.914 -5.073 -4.618 420 HB3 GLN 51 1HB GLN 51 -6.340 -4.814 -2.977 421 HG2 GLN 51 2HG GLN 51 -5.228 -6.943 -2.975 422 HG3 GLN 51 1HG GLN 51 -5.896 -7.331 -4.560 423 HE21 GLN 51 1HE2 GLN 51 -3.857 -7.591 -5.459 424 HE22 GLN 51 2HE2 GLN 51 -2.833 -6.236 -5.804 425 H THR 52 H THR 52 -9.510 -6.167 -1.129 426 HA THR 52 HA THR 52 -10.881 -3.726 -1.865 427 HB THR 52 HB THR 52 -11.079 -5.335 0.695 428 HG1 THR 52 HG1 THR 52 -12.787 -6.375 -0.283 429 HG21 THR 52 3HG2 THR 52 -13.207 -4.180 1.005 430 HG22 THR 52 1HG2 THR 52 -12.944 -3.272 -0.484 431 HG23 THR 52 2HG2 THR 52 -11.884 -3.019 0.901 432 H LEU 53 H LEU 53 -9.482 -2.043 -1.788 433 HA LEU 53 HA LEU 53 -7.498 -1.731 0.245 434 HB2 LEU 53 2HB LEU 53 -8.544 0.320 -1.711 435 HB3 LEU 53 1HB LEU 53 -7.062 0.436 -0.786 436 HG LEU 53 HG LEU 53 -7.611 -1.604 -2.943 437 HD11 LEU 53 1HD1 LEU 53 -5.987 -0.341 -4.250 438 HD12 LEU 53 2HD1 LEU 53 -5.864 0.850 -2.956 439 HD13 LEU 53 3HD1 LEU 53 -7.383 0.654 -3.830 440 HD21 LEU 53 3HD2 LEU 53 -5.264 -2.175 -2.727 441 HD22 LEU 53 1HD2 LEU 53 -6.093 -2.414 -1.190 442 HD23 LEU 53 2HD2 LEU 53 -5.074 -0.994 -1.431 443 H ILE 54 H ILE 54 -8.368 -1.564 2.276 444 HA ILE 54 HA ILE 54 -10.469 0.442 2.698 445 HB ILE 54 HB ILE 54 -9.459 -1.682 4.605 446 HG12 ILE 54 2HG1 ILE 54 -12.012 -1.579 2.980 447 HG13 ILE 54 1HG1 ILE 54 -10.630 -2.617 2.638 448 HG21 ILE 54 1HG2 ILE 54 -10.357 0.259 5.764 449 HG22 ILE 54 2HG2 ILE 54 -11.444 -1.120 5.933 450 HG23 ILE 54 3HG2 ILE 54 -11.831 0.174 4.799 451 HD11 ILE 54 3HD1 ILE 54 -12.390 -3.853 3.744 452 HD12 ILE 54 1HD1 ILE 54 -12.361 -2.720 5.095 453 HD13 ILE 54 2HD1 ILE 54 -10.966 -3.750 4.780 454 H VAL 55 H VAL 55 -9.428 2.382 2.836 455 HA VAL 55 HA VAL 55 -7.072 2.629 4.524 456 HB VAL 55 HB VAL 55 -8.554 4.799 3.025 457 HG11 VAL 55 1HG1 VAL 55 -7.206 5.637 4.890 458 HG12 VAL 55 2HG1 VAL 55 -6.518 6.107 3.335 459 HG13 VAL 55 3HG1 VAL 55 -5.797 4.786 4.253 460 HG21 VAL 55 3HG2 VAL 55 -6.749 4.625 1.373 461 HG22 VAL 55 1HG2 VAL 55 -7.676 3.127 1.492 462 HG23 VAL 55 2HG2 VAL 55 -6.089 3.244 2.251 463 H ASP 56 H ASP 56 -7.902 2.130 6.510 464 HA ASP 56 HA ASP 56 -8.973 2.378 8.496 465 HB2 ASP 56 2HB ASP 56 -7.404 4.415 8.281 466 HB3 ASP 56 1HB ASP 56 -8.874 5.346 8.000 467 H GLY 57 H GLY 57 -10.845 1.633 6.860 468 HA2 GLY 57 2HA GLY 57 -13.192 1.576 7.399 469 HA3 GLY 57 1HA GLY 57 -13.130 3.310 7.655 470 H ILE 58 H ILE 58 -11.807 4.085 5.303 471 HA ILE 58 HA ILE 58 -14.094 3.846 3.501 472 HB ILE 58 HB ILE 58 -11.726 5.718 3.372 473 HG12 ILE 58 2HG1 ILE 58 -14.566 6.234 4.270 474 HG13 ILE 58 1HG1 ILE 58 -13.192 6.040 5.352 475 HG21 ILE 58 1HG2 ILE 58 -13.079 6.978 1.760 476 HG22 ILE 58 2HG2 ILE 58 -14.317 5.723 1.827 477 HG23 ILE 58 3HG2 ILE 58 -12.718 5.351 1.180 478 HD11 ILE 58 3HD1 ILE 58 -12.156 8.027 4.371 479 HD12 ILE 58 1HD1 ILE 58 -13.741 8.375 5.061 480 HD13 ILE 58 2HD1 ILE 58 -13.553 8.224 3.314 481 H VAL 59 H VAL 59 -14.060 2.626 1.739 482 HA VAL 59 HA VAL 59 -11.622 1.333 0.890 483 HB VAL 59 HB VAL 59 -13.735 0.077 0.909 484 HG11 VAL 59 1HG1 VAL 59 -14.593 1.965 -1.277 485 HG12 VAL 59 2HG1 VAL 59 -15.295 1.828 0.336 486 HG13 VAL 59 3HG1 VAL 59 -15.445 0.494 -0.808 487 HG21 VAL 59 3HG2 VAL 59 -12.534 0.430 -1.834 488 HG22 VAL 59 1HG2 VAL 59 -13.559 -0.918 -1.340 489 HG23 VAL 59 2HG2 VAL 59 -11.990 -0.677 -0.575 490 H ILE 60 H ILE 60 -10.353 1.878 -0.759 491 HA ILE 60 HA ILE 60 -11.058 4.283 -2.268 492 HB ILE 60 HB ILE 60 -8.400 2.874 -1.984 493 HG12 ILE 60 2HG1 ILE 60 -9.102 3.989 0.070 494 HG13 ILE 60 1HG1 ILE 60 -7.767 4.866 -0.670 495 HG21 ILE 60 1HG2 ILE 60 -8.556 3.951 -4.153 496 HG22 ILE 60 2HG2 ILE 60 -7.453 4.848 -3.110 497 HG23 ILE 60 3HG2 ILE 60 -9.084 5.453 -3.392 498 HD11 ILE 60 3HD1 ILE 60 -9.347 6.503 -1.565 499 HD12 ILE 60 1HD1 ILE 60 -9.451 6.386 0.193 500 HD13 ILE 60 2HD1 ILE 60 -10.679 5.622 -0.817 501 H LEU 61 H LEU 61 -11.954 4.020 -4.178 502 HA LEU 61 HA LEU 61 -11.164 1.692 -5.807 503 HB2 LEU 61 2HB LEU 61 -13.771 3.216 -5.805 504 HB3 LEU 61 1HB LEU 61 -13.372 1.908 -6.902 505 HG LEU 61 HG LEU 61 -13.619 1.647 -3.904 506 HD11 LEU 61 1HD1 LEU 61 -15.475 0.770 -6.111 507 HD12 LEU 61 2HD1 LEU 61 -15.765 2.081 -4.969 508 HD13 LEU 61 3HD1 LEU 61 -15.669 0.417 -4.395 509 HD21 LEU 61 3HD2 LEU 61 -13.225 -0.439 -6.045 510 HD22 LEU 61 1HD2 LEU 61 -13.487 -0.755 -4.330 511 HD23 LEU 61 2HD2 LEU 61 -12.024 0.074 -4.862 512 H ARG 62 H ARG 62 -10.519 4.814 -5.481 513 HA ARG 62 HA ARG 62 -10.869 5.612 -8.243 514 HB2 ARG 62 2HB ARG 62 -10.131 7.016 -5.733 515 HB3 ARG 62 1HB ARG 62 -9.551 7.696 -7.248 516 HG2 ARG 62 2HG ARG 62 -12.432 7.079 -6.627 517 HG3 ARG 62 1HG ARG 62 -11.683 8.675 -6.518 518 HD2 ARG 62 2HD ARG 62 -11.240 8.713 -8.856 519 HD3 ARG 62 1HD ARG 62 -11.692 7.020 -9.030 520 HE ARG 62 HE ARG 62 -13.971 8.083 -8.139 521 HH11 ARG 62 1HH1 ARG 62 -11.765 9.197 -10.611 522 HH12 ARG 62 2HH1 ARG 62 -13.008 9.884 -11.607 523 HH21 ARG 62 1HH2 ARG 62 -15.619 8.948 -9.434 524 HH22 ARG 62 2HH2 ARG 62 -15.225 9.725 -10.941 525 H GLU 63 H GLU 63 -9.500 4.119 -9.236 526 HA GLU 63 HA GLU 63 -6.677 4.052 -8.738 527 HB2 GLU 63 2HB GLU 63 -8.107 3.280 -11.291 528 HB3 GLU 63 1HB GLU 63 -6.560 2.683 -10.704 529 HG2 GLU 63 2HG GLU 63 -7.675 1.554 -8.866 530 HG3 GLU 63 1HG GLU 63 -9.232 2.173 -9.413 531 H ASP 64 H ASP 64 -8.834 6.092 -10.301 532 HA ASP 64 HA ASP 64 -7.256 7.276 -12.315 533 HB2 ASP 64 2HB ASP 64 -9.660 7.483 -12.324 534 HB3 ASP 64 1HB ASP 64 -9.651 8.243 -10.740 535 H LEU 65 H LEU 65 -7.231 7.585 -8.886 536 HA LEU 65 HA LEU 65 -5.894 10.188 -8.983 537 HB2 LEU 65 2HB LEU 65 -6.919 8.599 -6.630 538 HB3 LEU 65 1HB LEU 65 -6.164 10.178 -6.527 539 HG LEU 65 HG LEU 65 -8.780 9.554 -7.899 540 HD11 LEU 65 1HD1 LEU 65 -9.753 10.915 -6.109 541 HD12 LEU 65 2HD1 LEU 65 -8.163 11.059 -5.362 542 HD13 LEU 65 3HD1 LEU 65 -8.942 9.481 -5.477 543 HD21 LEU 65 3HD2 LEU 65 -7.549 11.340 -9.037 544 HD22 LEU 65 1HD2 LEU 65 -7.387 12.201 -7.507 545 HD23 LEU 65 2HD2 LEU 65 -8.983 11.955 -8.217 546 H THR 66 H THR 66 -4.125 10.380 -7.184 547 HA THR 66 HA THR 66 -2.298 8.086 -7.474 548 HB THR 66 HB THR 66 -0.427 9.677 -7.392 549 HG1 THR 66 HG1 THR 66 -1.906 11.933 -7.908 550 HG21 THR 66 3HG2 THR 66 -0.724 10.709 -9.599 551 HG22 THR 66 1HG2 THR 66 -2.454 10.368 -9.526 552 HG23 THR 66 2HG2 THR 66 -1.293 9.040 -9.587 553 H VAL 67 H VAL 67 -0.457 8.287 -5.766 554 HA VAL 67 HA VAL 67 -1.572 8.163 -3.166 555 HB VAL 67 HB VAL 67 1.328 8.401 -3.998 556 HG11 VAL 67 1HG1 VAL 67 0.146 7.490 -1.377 557 HG12 VAL 67 2HG1 VAL 67 1.031 8.991 -1.654 558 HG13 VAL 67 3HG1 VAL 67 1.854 7.439 -1.815 559 HG21 VAL 67 3HG2 VAL 67 1.369 5.954 -3.682 560 HG22 VAL 67 1HG2 VAL 67 0.285 6.456 -4.980 561 HG23 VAL 67 2HG2 VAL 67 -0.375 5.981 -3.415 562 H GLU 68 H GLU 68 0.126 10.654 -4.960 563 HA GLU 68 HA GLU 68 0.504 12.417 -2.758 564 HB2 GLU 68 2HB GLU 68 1.937 12.509 -4.740 565 HB3 GLU 68 1HB GLU 68 0.554 12.948 -5.734 566 HG2 GLU 68 2HG GLU 68 0.320 15.034 -4.494 567 HG3 GLU 68 1HG GLU 68 1.698 14.592 -3.488 568 H GLN 69 H GLN 69 -1.946 12.086 -5.275 569 HA GLN 69 HA GLN 69 -3.280 14.508 -4.921 570 HB2 GLN 69 2HB GLN 69 -3.616 12.579 -6.664 571 HB3 GLN 69 1HB GLN 69 -4.802 11.991 -5.509 572 HG2 GLN 69 2HG GLN 69 -4.847 14.771 -6.642 573 HG3 GLN 69 1HG GLN 69 -5.678 13.412 -7.386 574 HE21 GLN 69 1HE2 GLN 69 -6.492 12.201 -4.886 575 HE22 GLN 69 2HE2 GLN 69 -7.749 13.204 -4.245 576 H CYS 70 H CYS 70 -3.816 11.389 -3.316 577 HA CYS 70 HA CYS 70 -5.959 12.465 -1.712 578 HB2 CYS 70 2HB CYS 70 -4.600 9.779 -1.469 579 HB3 CYS 70 1HB CYS 70 -6.190 10.229 -0.855 580 HG CYS 70 HG CYS 70 -5.795 8.589 -3.432 581 H GLN 71 H GLN 71 -2.702 12.759 -1.527 582 HA GLN 71 HA GLN 71 -1.160 13.190 0.088 583 HB2 GLN 71 2HB GLN 71 -3.679 14.083 1.488 584 HB3 GLN 71 1HB GLN 71 -2.079 14.313 2.174 585 HG2 GLN 71 2HG GLN 71 -2.955 15.397 -0.492 586 HG3 GLN 71 1HG GLN 71 -2.986 16.308 1.019 587 HE21 GLN 71 1HE2 GLN 71 -1.005 14.990 -1.493 588 HE22 GLN 71 2HE2 GLN 71 0.466 15.769 -1.017 589 H ILE 72 H ILE 72 -1.324 10.645 -0.022 590 HA ILE 72 HA ILE 72 -2.278 9.381 2.372 591 HB ILE 72 HB ILE 72 -0.536 8.299 0.153 592 HG12 ILE 72 2HG1 ILE 72 -3.496 7.972 0.692 593 HG13 ILE 72 1HG1 ILE 72 -2.797 8.995 -0.558 594 HG21 ILE 72 1HG2 ILE 72 -1.956 6.851 2.385 595 HG22 ILE 72 2HG2 ILE 72 -0.211 7.025 2.193 596 HG23 ILE 72 3HG2 ILE 72 -1.139 6.082 1.025 597 HD11 ILE 72 3HD1 ILE 72 -3.600 6.936 -1.515 598 HD12 ILE 72 1HD1 ILE 72 -2.618 5.996 -0.393 599 HD13 ILE 72 2HD1 ILE 72 -1.840 6.995 -1.620 600 H VAL 73 H VAL 73 -1.240 9.048 4.196 601 HA VAL 73 HA VAL 73 1.683 9.305 4.279 602 HB VAL 73 HB VAL 73 1.385 10.387 6.566 603 HG11 VAL 73 1HG1 VAL 73 1.052 12.636 5.621 604 HG12 VAL 73 2HG1 VAL 73 0.473 11.907 4.122 605 HG13 VAL 73 3HG1 VAL 73 2.142 11.657 4.638 606 HG21 VAL 73 3HG2 VAL 73 -1.398 10.887 5.510 607 HG22 VAL 73 1HG2 VAL 73 -0.703 11.570 6.979 608 HG23 VAL 73 2HG2 VAL 73 -0.987 9.833 6.864 609 HA PRO 74 HA PRO 74 1.775 5.495 6.375 610 HB2 PRO 74 2HB PRO 74 3.538 6.620 8.469 611 HB3 PRO 74 1HB PRO 74 3.837 5.307 7.327 612 HG2 PRO 74 2HG PRO 74 5.009 7.680 7.009 613 HG3 PRO 74 1HG PRO 74 4.425 6.756 5.611 614 HD2 PRO 74 2HD PRO 74 3.173 9.105 6.987 615 HD3 PRO 74 1HD PRO 74 3.314 8.759 5.249 616 H THR 75 H THR 75 0.612 8.198 8.152 617 HA THR 75 HA THR 75 0.084 6.738 10.575 618 HB THR 75 HB THR 75 0.458 9.220 10.542 619 HG1 THR 75 HG1 THR 75 -0.919 7.854 12.151 620 HG21 THR 75 3HG2 THR 75 -1.465 10.665 10.028 621 HG22 THR 75 1HG2 THR 75 -2.351 9.266 9.423 622 HG23 THR 75 2HG2 THR 75 -0.889 9.810 8.598 623 H SER 76 H SER 76 -1.589 7.244 7.573 624 HA SER 76 HA SER 76 -4.145 6.438 8.689 625 HB2 SER 76 2HB SER 76 -4.902 6.596 6.278 626 HB3 SER 76 1HB SER 76 -4.277 8.096 6.960 627 HG SER 76 HG SER 76 -2.579 6.338 5.558 628 H ASP 77 H ASP 77 -4.425 4.378 9.151 629 HA ASP 77 HA ASP 77 -2.807 2.300 8.126 630 HB2 ASP 77 2HB ASP 77 -3.779 2.145 10.351 631 HB3 ASP 77 1HB ASP 77 -5.405 2.178 9.673 632 H ILE 78 H ILE 78 -2.905 1.728 6.064 633 HA ILE 78 HA ILE 78 -5.502 1.421 4.752 634 HB ILE 78 HB ILE 78 -2.728 1.111 3.580 635 HG12 ILE 78 2HG1 ILE 78 -4.670 3.427 3.378 636 HG13 ILE 78 1HG1 ILE 78 -3.188 3.422 4.328 637 HG21 ILE 78 1HG2 ILE 78 -5.431 1.291 2.250 638 HG22 ILE 78 2HG2 ILE 78 -4.432 -0.156 2.380 639 HG23 ILE 78 3HG2 ILE 78 -3.879 1.216 1.416 640 HD11 ILE 78 3HD1 ILE 78 -3.359 3.173 1.335 641 HD12 ILE 78 1HD1 ILE 78 -1.877 3.189 2.291 642 HD13 ILE 78 2HD1 ILE 78 -2.906 4.620 2.236 643 H GLN 79 H GLN 79 -6.426 -0.450 5.320 644 HA GLN 79 HA GLN 79 -4.703 -2.813 5.576 645 HB2 GLN 79 2HB GLN 79 -6.394 -3.761 7.018 646 HB3 GLN 79 1HB GLN 79 -5.954 -2.163 7.601 647 HG2 GLN 79 2HG GLN 79 -7.998 -1.303 6.406 648 HG3 GLN 79 1HG GLN 79 -8.459 -2.989 6.174 649 HE21 GLN 79 1HE2 GLN 79 -6.805 -1.689 8.990 650 HE22 GLN 79 2HE2 GLN 79 -8.102 -1.975 10.108 651 H LEU 80 H LEU 80 -5.556 -4.860 4.841 652 HA LEU 80 HA LEU 80 -7.094 -4.482 2.357 653 HB2 LEU 80 2HB LEU 80 -4.980 -6.498 3.085 654 HB3 LEU 80 1HB LEU 80 -5.984 -6.639 1.656 655 HG LEU 80 HG LEU 80 -3.980 -4.469 2.249 656 HD11 LEU 80 1HD1 LEU 80 -2.992 -6.557 1.533 657 HD12 LEU 80 2HD1 LEU 80 -2.891 -5.368 0.232 658 HD13 LEU 80 3HD1 LEU 80 -4.107 -6.646 0.170 659 HD21 LEU 80 3HD2 LEU 80 -4.558 -3.582 0.042 660 HD22 LEU 80 1HD2 LEU 80 -5.933 -3.519 1.144 661 HD23 LEU 80 2HD2 LEU 80 -5.854 -4.771 -0.094 662 H GLU 81 H GLU 81 -8.948 -5.479 2.107 663 HA GLU 81 HA GLU 81 -9.485 -7.887 3.713 664 HB2 GLU 81 2HB GLU 81 -11.091 -6.076 4.159 665 HB3 GLU 81 1HB GLU 81 -11.461 -5.977 2.442 666 HG2 GLU 81 2HG GLU 81 -12.452 -8.147 2.460 667 HG3 GLU 81 1HG GLU 81 -11.905 -8.441 4.108 668 H VAL 82 H VAL 82 -9.654 -9.747 2.614 669 HA VAL 82 HA VAL 82 -9.145 -9.689 -0.211 670 HB VAL 82 HB VAL 82 -8.004 -11.355 1.122 671 HG11 VAL 82 1HG1 VAL 82 -9.614 -11.704 2.892 672 HG12 VAL 82 2HG1 VAL 82 -9.202 -13.246 2.142 673 HG13 VAL 82 3HG1 VAL 82 -10.734 -12.462 1.759 674 HG21 VAL 82 3HG2 VAL 82 -8.455 -11.911 -1.196 675 HG22 VAL 82 1HG2 VAL 82 -10.008 -12.615 -0.744 676 HG23 VAL 82 2HG2 VAL 82 -8.508 -13.362 -0.194 677 H SER 83 H SER 83 -10.637 -9.514 -1.695 678 HA SER 83 HA SER 83 -13.410 -10.018 -1.175 679 HB2 SER 83 2HB SER 83 -12.553 -8.252 -2.754 680 HB3 SER 83 1HB SER 83 -12.070 -9.544 -3.851 681 HG SER 83 HG SER 83 -14.555 -10.062 -3.281 682 H SER 84 H SER 84 -13.996 -12.066 -0.873 683 HA SER 84 HA SER 84 -12.614 -14.255 -2.095 684 HB2 SER 84 2HB SER 84 -15.173 -14.255 -0.477 685 HB3 SER 84 1HB SER 84 -14.147 -15.649 -0.811 686 HG SER 84 HG SER 84 -12.682 -13.655 0.243 Start of MODEL 12 1 H1 MET 1 1H MET 1 28.016 16.231 -7.009 2 H2 MET 1 2H MET 1 29.391 16.291 -7.999 3 H3 MET 1 3H MET 1 28.064 17.290 -8.327 4 HA MET 1 HA MET 1 29.696 17.438 -5.867 5 HB2 MET 1 2HB MET 1 29.752 19.134 -8.371 6 HB3 MET 1 1HB MET 1 30.506 19.601 -6.853 7 HG2 MET 1 2HG MET 1 31.200 17.183 -8.504 8 HG3 MET 1 1HG MET 1 32.137 18.670 -8.382 9 HE1 MET 1 3HE MET 1 33.420 19.450 -6.196 10 HE2 MET 1 1HE MET 1 33.338 18.593 -4.658 11 HE3 MET 1 2HE MET 1 31.903 19.392 -5.299 12 H GLY 2 H GLY 2 29.375 19.786 -4.994 13 HA2 GLY 2 2HA GLY 2 27.935 21.418 -4.214 14 HA3 GLY 2 1HA GLY 2 26.750 20.895 -5.404 15 H HIS 3 H HIS 3 25.015 20.864 -4.030 16 HA HIS 3 HA HIS 3 24.991 18.617 -2.145 17 HB2 HIS 3 2HB HIS 3 24.149 21.454 -1.555 18 HB3 HIS 3 1HB HIS 3 23.513 20.089 -0.639 19 HD1 HIS 3 HD1 HIS 3 26.328 22.398 -0.761 20 HD2 HIS 3 HD2 HIS 3 25.626 18.569 0.703 21 HE1 HIS 3 HE1 HIS 3 28.211 21.926 0.831 22 HE2 HIS 3 HE2 HIS 3 27.897 19.514 1.491 23 H HIS 4 H HIS 4 22.884 17.734 -1.753 24 HA HIS 4 HA HIS 4 21.113 18.207 -4.053 25 HB2 HIS 4 2HB HIS 4 20.372 15.948 -3.893 26 HB3 HIS 4 1HB HIS 4 22.124 15.908 -3.766 27 HD1 HIS 4 HD1 HIS 4 19.091 14.783 -2.100 28 HD2 HIS 4 HD2 HIS 4 23.041 15.478 -1.015 29 HE1 HIS 4 HE1 HIS 4 19.410 13.585 0.089 30 HE2 HIS 4 HE2 HIS 4 21.871 13.820 0.590 31 H HIS 5 H HIS 5 18.809 18.108 -3.716 32 HA HIS 5 HA HIS 5 18.094 19.177 -1.074 33 HB2 HIS 5 2HB HIS 5 16.678 19.417 -3.737 34 HB3 HIS 5 1HB HIS 5 16.060 20.054 -2.217 35 HD1 HIS 5 HD1 HIS 5 16.752 22.371 -1.622 36 HD2 HIS 5 HD2 HIS 5 19.204 20.692 -4.538 37 HE1 HIS 5 HE1 HIS 5 18.311 24.209 -2.347 38 HE2 HIS 5 HE2 HIS 5 19.728 23.200 -4.174 39 H HIS 6 H HIS 6 16.636 18.176 0.197 40 HA HIS 6 HA HIS 6 15.989 15.453 -0.622 41 HB2 HIS 6 2HB HIS 6 15.507 15.044 1.770 42 HB3 HIS 6 1HB HIS 6 17.134 15.646 1.499 43 HD1 HIS 6 HD1 HIS 6 17.793 17.798 2.675 44 HD2 HIS 6 HD2 HIS 6 13.742 16.905 3.030 45 HE1 HIS 6 HE1 HIS 6 16.877 19.423 4.370 46 HE2 HIS 6 HE2 HIS 6 14.453 18.785 4.656 47 H HIS 7 H HIS 7 14.072 14.801 -1.180 48 HA HIS 7 HA HIS 7 11.688 16.086 -0.103 49 HB2 HIS 7 2HB HIS 7 12.262 15.753 -3.052 50 HB3 HIS 7 1HB HIS 7 10.626 15.919 -2.426 51 HD1 HIS 7 HD1 HIS 7 9.996 18.238 -1.363 52 HD2 HIS 7 HD2 HIS 7 13.706 18.101 -3.241 53 HE1 HIS 7 HE1 HIS 7 10.703 20.633 -1.648 54 HE2 HIS 7 HE2 HIS 7 12.854 20.531 -2.964 55 H HIS 8 H HIS 8 10.564 14.507 0.801 56 HA HIS 8 HA HIS 8 11.198 11.767 0.116 57 HB2 HIS 8 2HB HIS 8 9.423 12.946 2.258 58 HB3 HIS 8 1HB HIS 8 9.676 11.218 2.036 59 HD1 HIS 8 HD1 HIS 8 11.582 10.227 3.293 60 HD2 HIS 8 HD2 HIS 8 11.936 14.357 2.905 61 HE1 HIS 8 HE1 HIS 8 13.588 10.874 4.673 62 HE2 HIS 8 HE2 HIS 8 13.834 13.365 4.361 63 H SER 9 H SER 9 10.318 11.442 -1.882 64 HA SER 9 HA SER 9 7.431 11.727 -2.204 65 HB2 SER 9 2HB SER 9 9.558 10.785 -4.147 66 HB3 SER 9 1HB SER 9 7.857 11.046 -4.538 67 HG SER 9 HG SER 9 9.889 12.842 -4.374 68 H HIS 10 H HIS 10 9.829 9.429 -1.413 69 HA HIS 10 HA HIS 10 7.983 7.189 -1.835 70 HB2 HIS 10 2HB HIS 10 10.953 7.278 -1.289 71 HB3 HIS 10 1HB HIS 10 10.018 5.786 -1.247 72 HD1 HIS 10 HD1 HIS 10 10.505 4.536 -3.325 73 HD2 HIS 10 HD2 HIS 10 10.150 8.620 -4.027 74 HE1 HIS 10 HE1 HIS 10 10.726 4.821 -5.816 75 HE2 HIS 10 HE2 HIS 10 10.301 7.273 -6.221 76 H MET 11 H MET 11 6.936 6.297 -0.201 77 HA MET 11 HA MET 11 7.887 6.725 2.551 78 HB2 MET 11 2HB MET 11 5.058 7.129 1.545 79 HB3 MET 11 1HB MET 11 5.498 7.062 3.244 80 HG2 MET 11 2HG MET 11 6.585 9.089 1.311 81 HG3 MET 11 1HG MET 11 5.160 9.347 2.314 82 HE1 MET 11 3HE MET 11 7.488 11.381 2.364 83 HE2 MET 11 1HE MET 11 7.739 11.629 4.094 84 HE3 MET 11 2HE MET 11 6.101 11.499 3.449 85 H LYS 12 H LYS 12 7.946 4.847 3.665 86 HA LYS 12 HA LYS 12 6.728 2.474 2.552 87 HB2 LYS 12 2HB LYS 12 8.528 3.040 4.863 88 HB3 LYS 12 1HB LYS 12 7.572 1.567 4.902 89 HG2 LYS 12 2HG LYS 12 8.544 0.897 2.743 90 HG3 LYS 12 1HG LYS 12 9.539 2.354 2.760 91 HD2 LYS 12 2HD LYS 12 10.659 1.619 4.770 92 HD3 LYS 12 1HD LYS 12 9.586 0.226 4.898 93 HE2 LYS 12 2HE LYS 12 11.418 0.698 2.553 94 HE3 LYS 12 1HE LYS 12 11.880 -0.245 3.967 95 HZ1 LYS 12 3HZ LYS 12 11.097 -1.693 2.227 96 HZ2 LYS 12 1HZ LYS 12 9.630 -0.852 2.116 97 HZ3 LYS 12 2HZ LYS 12 10.001 -1.731 3.516 98 H PHE 13 H PHE 13 4.718 1.873 2.907 99 HA PHE 13 HA PHE 13 3.431 2.736 5.410 100 HB2 PHE 13 2HB PHE 13 1.299 2.801 4.267 101 HB3 PHE 13 1HB PHE 13 2.446 3.804 3.393 102 HD1 PHE 13 HD1 PHE 13 3.747 2.391 1.466 103 HD2 PHE 13 HD2 PHE 13 -0.116 1.543 3.021 104 HE1 PHE 13 HE1 PHE 13 3.172 1.201 -0.610 105 HE2 PHE 13 HE2 PHE 13 -0.693 0.358 0.948 106 HZ PHE 13 HZ PHE 13 0.952 0.187 -0.870 107 H LEU 14 H LEU 14 2.564 1.201 6.672 108 HA LEU 14 HA LEU 14 3.123 -1.555 5.968 109 HB2 LEU 14 2HB LEU 14 3.723 -0.831 8.193 110 HB3 LEU 14 1HB LEU 14 2.090 -0.269 8.495 111 HG LEU 14 HG LEU 14 1.295 -2.621 8.363 112 HD11 LEU 14 1HD1 LEU 14 4.236 -3.252 8.215 113 HD12 LEU 14 2HD1 LEU 14 3.032 -3.555 6.962 114 HD13 LEU 14 3HD1 LEU 14 2.949 -4.427 8.493 115 HD21 LEU 14 3HD2 LEU 14 3.459 -2.083 10.387 116 HD22 LEU 14 1HD2 LEU 14 2.198 -3.308 10.532 117 HD23 LEU 14 2HD2 LEU 14 1.771 -1.596 10.512 118 H VAL 15 H VAL 15 1.680 -2.639 4.813 119 HA VAL 15 HA VAL 15 -1.147 -2.005 5.082 120 HB VAL 15 HB VAL 15 -1.450 -3.756 3.289 121 HG11 VAL 15 1HG1 VAL 15 -1.416 -1.386 2.779 122 HG12 VAL 15 2HG1 VAL 15 -0.631 -2.308 1.497 123 HG13 VAL 15 3HG1 VAL 15 0.345 -1.419 2.666 124 HG21 VAL 15 3HG2 VAL 15 0.519 -4.411 1.988 125 HG22 VAL 15 1HG2 VAL 15 0.608 -5.017 3.641 126 HG23 VAL 15 2HG2 VAL 15 1.561 -3.613 3.167 127 H GLU 16 H GLU 16 -2.360 -2.985 6.517 128 HA GLU 16 HA GLU 16 -1.574 -5.634 7.476 129 HB2 GLU 16 2HB GLU 16 -2.151 -3.879 9.156 130 HB3 GLU 16 1HB GLU 16 -3.782 -3.830 8.496 131 HG2 GLU 16 2HG GLU 16 -3.685 -5.174 10.516 132 HG3 GLU 16 1HG GLU 16 -4.123 -6.152 9.116 133 H ASN 17 H ASN 17 -2.351 -7.279 6.392 134 HA ASN 17 HA ASN 17 -4.836 -6.956 4.880 135 HB2 ASN 17 2HB ASN 17 -2.888 -7.677 3.588 136 HB3 ASN 17 1HB ASN 17 -2.654 -9.044 4.672 137 HD21 ASN 17 1HD2 ASN 17 -2.761 -10.368 2.805 138 HD22 ASN 17 2HD2 ASN 17 -4.296 -10.818 2.147 139 H LEU 18 H LEU 18 -6.625 -8.054 5.348 140 HA LEU 18 HA LEU 18 -7.012 -9.093 7.900 141 HB2 LEU 18 2HB LEU 18 -8.806 -8.226 6.437 142 HB3 LEU 18 1HB LEU 18 -8.651 -9.648 5.426 143 HG LEU 18 HG LEU 18 -9.357 -11.067 7.314 144 HD11 LEU 18 1HD1 LEU 18 -8.559 -9.671 9.144 145 HD12 LEU 18 2HD1 LEU 18 -10.273 -10.044 9.331 146 HD13 LEU 18 3HD1 LEU 18 -9.773 -8.454 8.755 147 HD21 LEU 18 3HD2 LEU 18 -11.709 -10.326 7.377 148 HD22 LEU 18 1HD2 LEU 18 -11.031 -10.305 5.749 149 HD23 LEU 18 2HD2 LEU 18 -11.224 -8.797 6.643 150 H ASN 19 H ASN 19 -6.370 -10.763 4.855 151 HA ASN 19 HA ASN 19 -5.670 -13.137 6.426 152 HB2 ASN 19 2HB ASN 19 -7.951 -13.378 5.358 153 HB3 ASN 19 1HB ASN 19 -7.148 -13.283 3.793 154 HD21 ASN 19 1HD2 ASN 19 -7.628 -15.185 6.661 155 HD22 ASN 19 2HD2 ASN 19 -7.003 -16.673 6.020 156 H GLY 20 H GLY 20 -3.501 -12.608 6.202 157 HA2 GLY 20 2HA GLY 20 -2.084 -13.679 4.089 158 HA3 GLY 20 1HA GLY 20 -2.312 -11.985 3.681 159 H SER 21 H SER 21 -0.365 -11.086 3.982 160 HA SER 21 HA SER 21 0.910 -11.442 6.616 161 HB2 SER 21 2HB SER 21 2.384 -11.164 3.985 162 HB3 SER 21 1HB SER 21 3.095 -11.459 5.571 163 HG SER 21 HG SER 21 2.145 -13.491 5.595 164 H SER 22 H SER 22 1.566 -9.591 7.596 165 HA SER 22 HA SER 22 0.856 -7.056 6.495 166 HB2 SER 22 2HB SER 22 2.689 -7.494 8.852 167 HB3 SER 22 1HB SER 22 1.555 -6.169 8.579 168 HG SER 22 HG SER 22 -0.159 -7.580 8.949 169 H PHE 23 H PHE 23 2.130 -5.614 5.386 170 HA PHE 23 HA PHE 23 4.998 -6.182 5.195 171 HB2 PHE 23 2HB PHE 23 3.874 -7.381 3.341 172 HB3 PHE 23 1HB PHE 23 3.201 -5.854 2.784 173 HD1 PHE 23 HD1 PHE 23 6.470 -7.464 3.541 174 HD2 PHE 23 HD2 PHE 23 4.331 -4.653 1.175 175 HE1 PHE 23 HE1 PHE 23 8.481 -7.103 2.166 176 HE2 PHE 23 HE2 PHE 23 6.331 -4.281 -0.207 177 HZ PHE 23 HZ PHE 23 8.410 -5.511 0.287 178 H GLU 24 H GLU 24 6.242 -4.401 5.113 179 HA GLU 24 HA GLU 24 4.930 -1.793 4.936 180 HB2 GLU 24 2HB GLU 24 7.733 -2.598 5.723 181 HB3 GLU 24 1HB GLU 24 7.190 -0.929 5.624 182 HG2 GLU 24 2HG GLU 24 5.645 -1.240 7.395 183 HG3 GLU 24 1HG GLU 24 5.884 -2.986 7.378 184 H LEU 25 H LEU 25 4.540 -1.435 2.812 185 HA LEU 25 HA LEU 25 6.621 -1.989 0.837 186 HB2 LEU 25 2HB LEU 25 4.097 -2.595 0.662 187 HB3 LEU 25 1HB LEU 25 3.868 -0.905 0.273 188 HG LEU 25 HG LEU 25 5.724 -2.663 -1.321 189 HD11 LEU 25 1HD1 LEU 25 3.888 -2.996 -2.895 190 HD12 LEU 25 2HD1 LEU 25 2.790 -2.152 -1.802 191 HD13 LEU 25 3HD1 LEU 25 3.505 -3.690 -1.319 192 HD21 LEU 25 3HD2 LEU 25 5.293 -0.996 -3.070 193 HD22 LEU 25 1HD2 LEU 25 5.998 -0.260 -1.630 194 HD23 LEU 25 2HD2 LEU 25 4.272 -0.093 -1.953 195 H GLU 26 H GLU 26 7.829 -0.402 -0.094 196 HA GLU 26 HA GLU 26 7.423 2.329 0.773 197 HB2 GLU 26 2HB GLU 26 9.704 1.412 0.540 198 HB3 GLU 26 1HB GLU 26 9.437 1.211 -1.187 199 HG2 GLU 26 2HG GLU 26 9.039 3.680 -1.317 200 HG3 GLU 26 1HG GLU 26 9.562 3.781 0.362 201 H VAL 27 H VAL 27 5.811 3.409 -0.143 202 HA VAL 27 HA VAL 27 5.262 2.996 -2.993 203 HB VAL 27 HB VAL 27 3.433 2.836 -1.212 204 HG11 VAL 27 1HG1 VAL 27 3.713 5.834 -1.271 205 HG12 VAL 27 2HG1 VAL 27 4.005 4.778 0.110 206 HG13 VAL 27 3HG1 VAL 27 2.375 4.948 -0.542 207 HG21 VAL 27 3HG2 VAL 27 1.751 3.824 -2.656 208 HG22 VAL 27 1HG2 VAL 27 2.971 2.978 -3.607 209 HG23 VAL 27 2HG2 VAL 27 2.996 4.738 -3.506 210 H ASP 28 H ASP 28 4.659 4.983 -4.223 211 HA ASP 28 HA ASP 28 6.263 7.318 -3.404 212 HB2 ASP 28 2HB ASP 28 7.090 6.014 -5.431 213 HB3 ASP 28 1HB ASP 28 5.605 6.480 -6.243 214 H TYR 29 H TYR 29 5.232 9.340 -3.639 215 HA TYR 29 HA TYR 29 2.417 9.419 -3.580 216 HB2 TYR 29 2HB TYR 29 4.484 11.561 -4.080 217 HB3 TYR 29 1HB TYR 29 2.762 11.911 -4.045 218 HD1 TYR 29 HD1 TYR 29 1.506 11.784 -1.954 219 HD2 TYR 29 HD2 TYR 29 5.692 11.036 -2.040 220 HE1 TYR 29 HE1 TYR 29 1.599 12.042 0.491 221 HE2 TYR 29 HE2 TYR 29 5.796 11.291 0.401 222 HH TYR 29 HH TYR 29 4.491 12.423 2.188 223 H ARG 30 H ARG 30 4.694 9.369 -6.166 224 HA ARG 30 HA ARG 30 2.829 10.225 -8.208 225 HB2 ARG 30 2HB ARG 30 5.234 10.695 -8.402 226 HB3 ARG 30 1HB ARG 30 5.573 8.971 -8.404 227 HG2 ARG 30 2HG ARG 30 4.378 8.724 -10.514 228 HG3 ARG 30 1HG ARG 30 4.006 10.449 -10.509 229 HD2 ARG 30 2HD ARG 30 6.787 9.281 -10.523 230 HD3 ARG 30 1HD ARG 30 5.936 9.877 -11.948 231 HE ARG 30 HE ARG 30 5.913 11.934 -10.083 232 HH11 ARG 30 1HH1 ARG 30 8.343 10.104 -11.819 233 HH12 ARG 30 2HH1 ARG 30 9.433 11.452 -11.948 234 HH21 ARG 30 1HH2 ARG 30 7.356 13.688 -10.241 235 HH22 ARG 30 2HH2 ARG 30 8.877 13.478 -11.056 236 H ASP 31 H ASP 31 3.510 7.309 -6.570 237 HA ASP 31 HA ASP 31 2.964 5.478 -8.703 238 HB2 ASP 31 2HB ASP 31 4.106 5.137 -6.303 239 HB3 ASP 31 1HB ASP 31 2.466 4.686 -5.871 240 H THR 32 H THR 32 1.033 4.885 -9.488 241 HA THR 32 HA THR 32 -1.333 6.182 -8.486 242 HB THR 32 HB THR 32 -1.172 4.134 -10.700 243 HG1 THR 32 HG1 THR 32 -0.155 6.686 -10.552 244 HG21 THR 32 3HG2 THR 32 -3.054 6.447 -10.206 245 HG22 THR 32 1HG2 THR 32 -3.432 4.735 -9.975 246 HG23 THR 32 2HG2 THR 32 -3.100 5.357 -11.591 247 H LEU 33 H LEU 33 -3.254 5.095 -7.758 248 HA LEU 33 HA LEU 33 -2.751 3.073 -5.885 249 HB2 LEU 33 2HB LEU 33 -5.362 4.005 -7.064 250 HB3 LEU 33 1HB LEU 33 -5.227 2.951 -5.668 251 HG LEU 33 HG LEU 33 -4.172 5.776 -5.829 252 HD11 LEU 33 1HD1 LEU 33 -5.965 6.304 -4.259 253 HD12 LEU 33 2HD1 LEU 33 -6.564 4.651 -4.388 254 HD13 LEU 33 3HD1 LEU 33 -6.598 5.713 -5.795 255 HD21 LEU 33 3HD2 LEU 33 -3.781 5.525 -3.430 256 HD22 LEU 33 1HD2 LEU 33 -2.836 4.364 -4.362 257 HD23 LEU 33 2HD2 LEU 33 -4.295 3.840 -3.520 258 H LEU 34 H LEU 34 -3.886 2.878 -9.203 259 HA LEU 34 HA LEU 34 -4.518 0.104 -9.122 260 HB2 LEU 34 2HB LEU 34 -5.350 1.666 -10.856 261 HB3 LEU 34 1HB LEU 34 -3.718 1.823 -11.475 262 HG LEU 34 HG LEU 34 -3.725 -0.596 -12.024 263 HD11 LEU 34 1HD1 LEU 34 -5.343 -1.362 -10.389 264 HD12 LEU 34 2HD1 LEU 34 -5.867 -1.799 -12.017 265 HD13 LEU 34 3HD1 LEU 34 -6.616 -0.436 -11.183 266 HD21 LEU 34 3HD2 LEU 34 -4.298 1.075 -13.715 267 HD22 LEU 34 1HD2 LEU 34 -5.992 0.988 -13.232 268 HD23 LEU 34 2HD2 LEU 34 -5.206 -0.419 -13.953 269 H VAL 35 H VAL 35 -1.593 1.924 -9.424 270 HA VAL 35 HA VAL 35 -0.064 -0.224 -10.607 271 HB VAL 35 HB VAL 35 0.900 2.403 -9.459 272 HG11 VAL 35 1HG1 VAL 35 2.891 2.018 -10.851 273 HG12 VAL 35 2HG1 VAL 35 2.262 0.428 -11.285 274 HG13 VAL 35 3HG1 VAL 35 2.692 0.779 -9.611 275 HG21 VAL 35 3HG2 VAL 35 0.972 3.157 -11.803 276 HG22 VAL 35 1HG2 VAL 35 -0.667 2.783 -11.268 277 HG23 VAL 35 2HG2 VAL 35 0.207 1.646 -12.294 278 H VAL 36 H VAL 36 -0.337 1.330 -7.416 279 HA VAL 36 HA VAL 36 1.644 -0.225 -6.163 280 HB VAL 36 HB VAL 36 0.739 1.815 -5.129 281 HG11 VAL 36 1HG1 VAL 36 -1.606 1.581 -5.662 282 HG12 VAL 36 2HG1 VAL 36 -1.394 1.748 -3.918 283 HG13 VAL 36 3HG1 VAL 36 -1.726 0.163 -4.619 284 HG21 VAL 36 3HG2 VAL 36 0.468 -0.674 -3.456 285 HG22 VAL 36 1HG2 VAL 36 0.614 0.963 -2.817 286 HG23 VAL 36 2HG2 VAL 36 1.941 0.252 -3.738 287 H LYS 37 H LYS 37 -1.741 -0.852 -6.849 288 HA LYS 37 HA LYS 37 -2.094 -3.175 -5.319 289 HB2 LYS 37 2HB LYS 37 -3.332 -2.194 -7.870 290 HB3 LYS 37 1HB LYS 37 -3.722 -3.792 -7.252 291 HG2 LYS 37 2HG LYS 37 -4.384 -2.662 -5.095 292 HG3 LYS 37 1HG LYS 37 -4.253 -1.129 -5.967 293 HD2 LYS 37 2HD LYS 37 -5.916 -1.839 -7.556 294 HD3 LYS 37 1HD LYS 37 -5.965 -3.450 -6.840 295 HE2 LYS 37 2HE LYS 37 -6.778 -2.424 -4.731 296 HE3 LYS 37 1HE LYS 37 -6.851 -0.870 -5.565 297 HZ1 LYS 37 3HZ LYS 37 -8.426 -1.801 -7.129 298 HZ2 LYS 37 1HZ LYS 37 -9.004 -1.987 -5.545 299 HZ3 LYS 37 2HZ LYS 37 -8.343 -3.310 -6.361 300 H GLN 38 H GLN 38 -0.574 -2.687 -8.450 301 HA GLN 38 HA GLN 38 -0.365 -5.367 -9.247 302 HB2 GLN 38 2HB GLN 38 1.559 -3.098 -9.802 303 HB3 GLN 38 1HB GLN 38 1.467 -4.609 -10.695 304 HG2 GLN 38 2HG GLN 38 -0.716 -2.543 -10.527 305 HG3 GLN 38 1HG GLN 38 0.390 -2.762 -11.882 306 HE21 GLN 38 1HE2 GLN 38 -2.529 -2.960 -11.738 307 HE22 GLN 38 2HE2 GLN 38 -2.924 -4.542 -12.328 308 H LYS 39 H LYS 39 1.562 -3.401 -7.098 309 HA LYS 39 HA LYS 39 3.668 -5.331 -6.799 310 HB2 LYS 39 2HB LYS 39 2.985 -2.805 -5.285 311 HB3 LYS 39 1HB LYS 39 4.399 -3.794 -4.942 312 HG2 LYS 39 2HG LYS 39 5.254 -3.403 -7.174 313 HG3 LYS 39 1HG LYS 39 3.806 -2.484 -7.588 314 HD2 LYS 39 2HD LYS 39 5.581 -1.697 -5.296 315 HD3 LYS 39 1HD LYS 39 5.915 -1.177 -6.948 316 HE2 LYS 39 2HE LYS 39 3.332 -0.682 -5.469 317 HE3 LYS 39 1HE LYS 39 4.640 0.488 -5.628 318 HZ1 LYS 39 3HZ LYS 39 4.341 0.153 -8.123 319 HZ2 LYS 39 1HZ LYS 39 3.143 1.046 -7.311 320 HZ3 LYS 39 2HZ LYS 39 2.862 -0.571 -7.741 321 H ILE 40 H ILE 40 0.741 -4.443 -5.065 322 HA ILE 40 HA ILE 40 1.230 -6.078 -2.786 323 HB ILE 40 HB ILE 40 -1.401 -5.069 -3.887 324 HG12 ILE 40 2HG1 ILE 40 0.392 -3.951 -1.716 325 HG13 ILE 40 1HG1 ILE 40 0.211 -3.281 -3.335 326 HG21 ILE 40 1HG2 ILE 40 -1.736 -6.946 -2.379 327 HG22 ILE 40 2HG2 ILE 40 -2.263 -5.445 -1.618 328 HG23 ILE 40 3HG2 ILE 40 -0.721 -6.172 -1.160 329 HD11 ILE 40 3HD1 ILE 40 -1.920 -3.462 -1.221 330 HD12 ILE 40 1HD1 ILE 40 -2.164 -2.855 -2.859 331 HD13 ILE 40 2HD1 ILE 40 -1.081 -2.004 -1.758 332 H GLU 41 H GLU 41 -0.378 -6.569 -5.882 333 HA GLU 41 HA GLU 41 -1.437 -9.127 -5.363 334 HB2 GLU 41 2HB GLU 41 -2.119 -7.776 -7.302 335 HB3 GLU 41 1HB GLU 41 -0.513 -7.953 -7.995 336 HG2 GLU 41 2HG GLU 41 -0.842 -10.349 -8.203 337 HG3 GLU 41 1HG GLU 41 -2.434 -10.209 -7.459 338 H ARG 42 H ARG 42 1.712 -8.058 -6.526 339 HA ARG 42 HA ARG 42 2.722 -10.617 -7.176 340 HB2 ARG 42 2HB ARG 42 3.724 -8.481 -7.956 341 HB3 ARG 42 1HB ARG 42 4.257 -8.158 -6.312 342 HG2 ARG 42 2HG ARG 42 5.687 -10.112 -6.362 343 HG3 ARG 42 1HG ARG 42 5.118 -10.510 -7.983 344 HD2 ARG 42 2HD ARG 42 7.241 -9.433 -8.193 345 HD3 ARG 42 1HD ARG 42 6.005 -8.311 -8.758 346 HE ARG 42 HE ARG 42 6.646 -7.925 -5.990 347 HH11 ARG 42 1HH1 ARG 42 7.712 -7.225 -9.261 348 HH12 ARG 42 2HH1 ARG 42 8.565 -5.775 -8.809 349 HH21 ARG 42 1HH2 ARG 42 7.803 -6.031 -5.396 350 HH22 ARG 42 2HH2 ARG 42 8.622 -5.109 -6.621 351 H SER 43 H SER 43 2.885 -8.662 -4.226 352 HA SER 43 HA SER 43 4.594 -10.534 -2.887 353 HB2 SER 43 2HB SER 43 4.095 -9.012 -0.895 354 HB3 SER 43 1HB SER 43 4.899 -8.275 -2.281 355 HG SER 43 HG SER 43 3.171 -7.113 -2.688 356 H GLN 44 H GLN 44 1.199 -9.513 -2.349 357 HA GLN 44 HA GLN 44 0.841 -11.531 -0.326 358 HB2 GLN 44 2HB GLN 44 -1.012 -9.548 -1.618 359 HB3 GLN 44 1HB GLN 44 -1.585 -10.746 -0.468 360 HG2 GLN 44 2HG GLN 44 0.469 -8.614 0.060 361 HG3 GLN 44 1HG GLN 44 -1.202 -8.621 0.620 362 HE21 GLN 44 1HE2 GLN 44 1.973 -9.905 1.075 363 HE22 GLN 44 2HE2 GLN 44 1.652 -10.739 2.550 364 H HIS 45 H HIS 45 0.499 -11.431 -3.717 365 HA HIS 45 HA HIS 45 -0.220 -12.916 -5.269 366 HB2 HIS 45 2HB HIS 45 -0.375 -14.764 -2.887 367 HB3 HIS 45 1HB HIS 45 -0.778 -15.275 -4.520 368 HD1 HIS 45 HD1 HIS 45 1.188 -15.433 -6.233 369 HD2 HIS 45 HD2 HIS 45 2.338 -14.551 -2.333 370 HE1 HIS 45 HE1 HIS 45 3.667 -15.846 -6.147 371 HE2 HIS 45 HE2 HIS 45 4.362 -15.240 -3.798 372 H ILE 46 H ILE 46 -2.022 -11.158 -3.658 373 HA ILE 46 HA ILE 46 -4.551 -12.542 -4.197 374 HB ILE 46 HB ILE 46 -5.635 -10.681 -2.936 375 HG12 ILE 46 2HG1 ILE 46 -2.788 -9.967 -2.173 376 HG13 ILE 46 1HG1 ILE 46 -3.836 -9.001 -3.209 377 HG21 ILE 46 1HG2 ILE 46 -4.967 -11.509 -0.720 378 HG22 ILE 46 2HG2 ILE 46 -3.564 -12.292 -1.450 379 HG23 ILE 46 3HG2 ILE 46 -5.192 -12.815 -1.883 380 HD11 ILE 46 3HD1 ILE 46 -3.754 -8.096 -0.961 381 HD12 ILE 46 1HD1 ILE 46 -4.313 -9.634 -0.302 382 HD13 ILE 46 2HD1 ILE 46 -5.376 -8.679 -1.335 383 HA PRO 47 HA PRO 47 -4.758 -10.437 -8.068 384 HB2 PRO 47 2HB PRO 47 -7.682 -10.767 -7.622 385 HB3 PRO 47 1HB PRO 47 -6.694 -11.232 -9.013 386 HG2 PRO 47 2HG PRO 47 -7.551 -13.074 -7.296 387 HG3 PRO 47 1HG PRO 47 -5.918 -13.163 -7.982 388 HD2 PRO 47 2HD PRO 47 -6.790 -12.294 -5.261 389 HD3 PRO 47 1HD PRO 47 -5.352 -13.217 -5.747 390 H VAL 48 H VAL 48 -5.188 -8.443 -8.866 391 HA VAL 48 HA VAL 48 -5.486 -6.243 -7.219 392 HB VAL 48 HB VAL 48 -6.147 -6.499 -10.161 393 HG11 VAL 48 1HG1 VAL 48 -5.589 -3.988 -8.590 394 HG12 VAL 48 2HG1 VAL 48 -7.180 -4.497 -9.154 395 HG13 VAL 48 3HG1 VAL 48 -5.916 -4.101 -10.318 396 HG21 VAL 48 3HG2 VAL 48 -3.855 -7.097 -9.640 397 HG22 VAL 48 1HG2 VAL 48 -3.647 -5.597 -8.736 398 HG23 VAL 48 2HG2 VAL 48 -3.899 -5.547 -10.481 399 H SER 49 H SER 49 -7.959 -8.071 -8.933 400 HA SER 49 HA SER 49 -10.127 -6.330 -8.461 401 HB2 SER 49 2HB SER 49 -10.268 -9.326 -8.839 402 HB3 SER 49 1HB SER 49 -11.505 -8.130 -9.239 403 HG SER 49 HG SER 49 -9.693 -7.245 -10.659 404 H LYS 50 H LYS 50 -8.491 -8.545 -6.401 405 HA LYS 50 HA LYS 50 -10.807 -8.780 -4.619 406 HB2 LYS 50 2HB LYS 50 -8.241 -10.348 -4.817 407 HB3 LYS 50 1HB LYS 50 -9.363 -10.520 -3.472 408 HG2 LYS 50 2HG LYS 50 -11.125 -11.199 -5.029 409 HG3 LYS 50 1HG LYS 50 -9.989 -11.043 -6.373 410 HD2 LYS 50 2HD LYS 50 -8.650 -12.828 -5.560 411 HD3 LYS 50 1HD LYS 50 -9.502 -12.847 -4.014 412 HE2 LYS 50 2HE LYS 50 -10.235 -14.707 -5.360 413 HE3 LYS 50 1HE LYS 50 -11.552 -13.553 -5.181 414 HZ1 LYS 50 3HZ LYS 50 -11.466 -14.311 -7.428 415 HZ2 LYS 50 1HZ LYS 50 -9.821 -13.917 -7.568 416 HZ3 LYS 50 2HZ LYS 50 -10.981 -12.689 -7.406 417 H GLN 51 H GLN 51 -8.359 -6.713 -5.014 418 HA GLN 51 HA GLN 51 -7.546 -6.543 -2.217 419 HB2 GLN 51 2HB GLN 51 -6.662 -4.986 -4.650 420 HB3 GLN 51 1HB GLN 51 -6.029 -4.744 -3.028 421 HG2 GLN 51 2HG GLN 51 -5.157 -7.008 -3.008 422 HG3 GLN 51 1HG GLN 51 -5.834 -7.296 -4.611 423 HE21 GLN 51 1HE2 GLN 51 -3.824 -7.735 -5.494 424 HE22 GLN 51 2HE2 GLN 51 -2.660 -6.487 -5.791 425 H THR 52 H THR 52 -9.058 -5.581 -0.968 426 HA THR 52 HA THR 52 -10.338 -3.133 -1.936 427 HB THR 52 HB THR 52 -10.774 -4.693 0.622 428 HG1 THR 52 HG1 THR 52 -11.589 -5.752 -1.230 429 HG21 THR 52 3HG2 THR 52 -12.775 -3.265 0.887 430 HG22 THR 52 1HG2 THR 52 -12.242 -2.299 -0.487 431 HG23 THR 52 2HG2 THR 52 -11.273 -2.344 0.985 432 H LEU 53 H LEU 53 -9.161 -1.354 -1.722 433 HA LEU 53 HA LEU 53 -7.174 -1.096 0.358 434 HB2 LEU 53 2HB LEU 53 -8.075 0.865 -1.757 435 HB3 LEU 53 1HB LEU 53 -6.707 1.094 -0.688 436 HG LEU 53 HG LEU 53 -6.953 -1.056 -2.792 437 HD11 LEU 53 1HD1 LEU 53 -5.203 0.193 -3.946 438 HD12 LEU 53 2HD1 LEU 53 -5.249 1.429 -2.689 439 HD13 LEU 53 3HD1 LEU 53 -6.651 1.178 -3.730 440 HD21 LEU 53 3HD2 LEU 53 -5.645 -1.788 -0.858 441 HD22 LEU 53 1HD2 LEU 53 -4.640 -0.345 -0.992 442 HD23 LEU 53 2HD2 LEU 53 -4.625 -1.554 -2.278 443 H ILE 54 H ILE 54 -8.090 -0.825 2.341 444 HA ILE 54 HA ILE 54 -10.036 1.366 2.623 445 HB ILE 54 HB ILE 54 -9.349 -0.774 4.651 446 HG12 ILE 54 2HG1 ILE 54 -11.764 -0.537 2.835 447 HG13 ILE 54 1HG1 ILE 54 -10.462 -1.708 2.651 448 HG21 ILE 54 1HG2 ILE 54 -10.163 1.331 5.620 449 HG22 ILE 54 2HG2 ILE 54 -11.321 0.018 5.843 450 HG23 ILE 54 3HG2 ILE 54 -11.600 1.238 4.599 451 HD11 ILE 54 3HD1 ILE 54 -12.437 -2.697 3.677 452 HD12 ILE 54 1HD1 ILE 54 -12.337 -1.532 4.997 453 HD13 ILE 54 2HD1 ILE 54 -11.057 -2.725 4.774 454 H VAL 55 H VAL 55 -8.581 3.075 2.568 455 HA VAL 55 HA VAL 55 -6.567 3.123 4.712 456 HB VAL 55 HB VAL 55 -5.471 4.947 3.480 457 HG11 VAL 55 1HG1 VAL 55 -4.612 3.632 1.611 458 HG12 VAL 55 2HG1 VAL 55 -5.961 2.509 1.777 459 HG13 VAL 55 3HG1 VAL 55 -4.768 2.648 3.067 460 HG21 VAL 55 3HG2 VAL 55 -7.550 4.451 1.349 461 HG22 VAL 55 1HG2 VAL 55 -6.156 5.524 1.208 462 HG23 VAL 55 2HG2 VAL 55 -7.436 5.889 2.367 463 H ASP 56 H ASP 56 -6.657 4.626 6.281 464 HA ASP 56 HA ASP 56 -7.367 6.374 7.554 465 HB2 ASP 56 2HB ASP 56 -6.979 7.772 5.609 466 HB3 ASP 56 1HB ASP 56 -8.529 7.313 4.923 467 H GLY 57 H GLY 57 -9.172 4.003 6.457 468 HA2 GLY 57 2HA GLY 57 -11.031 3.107 7.612 469 HA3 GLY 57 1HA GLY 57 -11.481 4.734 8.106 470 H ILE 58 H ILE 58 -10.663 4.908 4.928 471 HA ILE 58 HA ILE 58 -13.475 4.615 4.101 472 HB ILE 58 HB ILE 58 -11.369 6.509 3.032 473 HG12 ILE 58 2HG1 ILE 58 -12.254 7.196 5.206 474 HG13 ILE 58 1HG1 ILE 58 -12.829 8.274 3.941 475 HG21 ILE 58 1HG2 ILE 58 -14.250 6.181 2.199 476 HG22 ILE 58 2HG2 ILE 58 -12.835 5.744 1.242 477 HG23 ILE 58 3HG2 ILE 58 -13.148 7.437 1.630 478 HD11 ILE 58 3HD1 ILE 58 -14.591 7.765 5.526 479 HD12 ILE 58 1HD1 ILE 58 -14.397 6.041 5.209 480 HD13 ILE 58 2HD1 ILE 58 -14.976 7.113 3.934 481 H VAL 59 H VAL 59 -13.932 3.312 2.428 482 HA VAL 59 HA VAL 59 -11.845 1.737 1.241 483 HB VAL 59 HB VAL 59 -13.992 0.697 1.692 484 HG11 VAL 59 1HG1 VAL 59 -15.140 2.651 -0.298 485 HG12 VAL 59 2HG1 VAL 59 -15.477 2.584 1.434 486 HG13 VAL 59 3HG1 VAL 59 -15.997 1.267 0.382 487 HG21 VAL 59 3HG2 VAL 59 -14.413 -0.344 -0.490 488 HG22 VAL 59 1HG2 VAL 59 -12.689 -0.213 -0.138 489 HG23 VAL 59 2HG2 VAL 59 -13.447 0.913 -1.264 490 H ILE 60 H ILE 60 -10.750 2.162 -0.543 491 HA ILE 60 HA ILE 60 -11.368 4.569 -2.040 492 HB ILE 60 HB ILE 60 -9.058 2.635 -2.307 493 HG12 ILE 60 2HG1 ILE 60 -9.018 3.793 -0.180 494 HG13 ILE 60 1HG1 ILE 60 -7.763 4.452 -1.221 495 HG21 ILE 60 1HG2 ILE 60 -9.468 3.776 -4.405 496 HG22 ILE 60 2HG2 ILE 60 -7.999 4.395 -3.653 497 HG23 ILE 60 3HG2 ILE 60 -9.488 5.333 -3.578 498 HD11 ILE 60 3HD1 ILE 60 -9.177 6.375 -1.713 499 HD12 ILE 60 1HD1 ILE 60 -8.917 6.201 0.023 500 HD13 ILE 60 2HD1 ILE 60 -10.450 5.704 -0.694 501 H LEU 61 H LEU 61 -12.316 4.642 -3.961 502 HA LEU 61 HA LEU 61 -12.794 2.094 -5.360 503 HB2 LEU 61 2HB LEU 61 -14.400 4.646 -5.480 504 HB3 LEU 61 1HB LEU 61 -14.780 3.156 -6.321 505 HG LEU 61 HG LEU 61 -14.767 3.527 -3.322 506 HD11 LEU 61 1HD1 LEU 61 -17.183 3.262 -3.502 507 HD12 LEU 61 2HD1 LEU 61 -17.046 3.146 -5.256 508 HD13 LEU 61 3HD1 LEU 61 -16.633 4.653 -4.439 509 HD21 LEU 61 3HD2 LEU 61 -15.560 1.138 -4.986 510 HD22 LEU 61 1HD2 LEU 61 -15.697 1.278 -3.234 511 HD23 LEU 61 2HD2 LEU 61 -14.106 1.262 -3.994 512 H ARG 62 H ARG 62 -11.764 5.427 -5.702 513 HA ARG 62 HA ARG 62 -11.373 5.204 -8.562 514 HB2 ARG 62 2HB ARG 62 -10.822 7.369 -6.541 515 HB3 ARG 62 1HB ARG 62 -10.240 7.487 -8.195 516 HG2 ARG 62 2HG ARG 62 -13.133 6.971 -7.659 517 HG3 ARG 62 1HG ARG 62 -12.477 8.605 -7.536 518 HD2 ARG 62 2HD ARG 62 -13.390 8.227 -9.758 519 HD3 ARG 62 1HD ARG 62 -11.643 8.435 -9.834 520 HE ARG 62 HE ARG 62 -12.714 5.704 -9.774 521 HH11 ARG 62 1HH1 ARG 62 -11.254 8.325 -11.605 522 HH12 ARG 62 2HH1 ARG 62 -10.785 7.295 -12.928 523 HH21 ARG 62 1HH2 ARG 62 -12.063 4.360 -11.512 524 HH22 ARG 62 2HH2 ARG 62 -11.235 5.061 -12.872 525 H GLU 63 H GLU 63 -9.863 3.697 -9.006 526 HA GLU 63 HA GLU 63 -7.374 3.577 -7.531 527 HB2 GLU 63 2HB GLU 63 -8.238 2.057 -9.994 528 HB3 GLU 63 1HB GLU 63 -6.885 1.660 -8.942 529 HG2 GLU 63 2HG GLU 63 -8.281 0.970 -7.207 530 HG3 GLU 63 1HG GLU 63 -9.688 1.784 -7.891 531 H ASP 64 H ASP 64 -8.533 5.354 -10.104 532 HA ASP 64 HA ASP 64 -6.148 5.399 -11.714 533 HB2 ASP 64 2HB ASP 64 -8.409 5.695 -12.685 534 HB3 ASP 64 1HB ASP 64 -8.573 7.207 -11.800 535 H LEU 65 H LEU 65 -6.996 6.815 -8.821 536 HA LEU 65 HA LEU 65 -5.550 9.291 -9.273 537 HB2 LEU 65 2HB LEU 65 -6.878 8.174 -6.803 538 HB3 LEU 65 1HB LEU 65 -6.095 9.741 -6.887 539 HG LEU 65 HG LEU 65 -8.543 8.888 -8.434 540 HD11 LEU 65 1HD1 LEU 65 -8.990 9.319 -6.083 541 HD12 LEU 65 2HD1 LEU 65 -9.677 10.590 -7.094 542 HD13 LEU 65 3HD1 LEU 65 -8.183 10.884 -6.203 543 HD21 LEU 65 3HD2 LEU 65 -7.100 11.537 -8.414 544 HD22 LEU 65 1HD2 LEU 65 -8.612 11.182 -9.251 545 HD23 LEU 65 2HD2 LEU 65 -7.119 10.383 -9.749 546 H THR 66 H THR 66 -3.666 9.866 -8.123 547 HA THR 66 HA THR 66 -1.909 7.624 -7.587 548 HB THR 66 HB THR 66 -0.168 9.407 -7.309 549 HG1 THR 66 HG1 THR 66 -1.217 11.493 -8.362 550 HG21 THR 66 3HG2 THR 66 -0.493 8.360 -9.478 551 HG22 THR 66 1HG2 THR 66 -0.128 10.074 -9.683 552 HG23 THR 66 2HG2 THR 66 -1.787 9.497 -9.859 553 H VAL 67 H VAL 67 -0.420 7.825 -5.645 554 HA VAL 67 HA VAL 67 -1.847 7.831 -3.243 555 HB VAL 67 HB VAL 67 1.126 8.170 -3.699 556 HG11 VAL 67 1HG1 VAL 67 1.392 7.411 -1.377 557 HG12 VAL 67 2HG1 VAL 67 -0.360 7.462 -1.168 558 HG13 VAL 67 3HG1 VAL 67 0.536 8.949 -1.473 559 HG21 VAL 67 3HG2 VAL 67 -0.514 5.732 -3.023 560 HG22 VAL 67 1HG2 VAL 67 1.236 5.786 -3.233 561 HG23 VAL 67 2HG2 VAL 67 0.173 6.105 -4.604 562 H GLU 68 H GLU 68 -0.115 10.397 -4.906 563 HA GLU 68 HA GLU 68 -0.230 12.301 -2.812 564 HB2 GLU 68 2HB GLU 68 1.267 12.560 -4.745 565 HB3 GLU 68 1HB GLU 68 -0.125 12.741 -5.803 566 HG2 GLU 68 2HG GLU 68 -0.765 14.770 -4.549 567 HG3 GLU 68 1HG GLU 68 0.707 14.606 -3.596 568 H GLN 69 H GLN 69 -2.388 11.560 -5.525 569 HA GLN 69 HA GLN 69 -4.185 13.687 -5.167 570 HB2 GLN 69 2HB GLN 69 -4.585 10.940 -6.342 571 HB3 GLN 69 1HB GLN 69 -5.818 12.193 -6.382 572 HG2 GLN 69 2HG GLN 69 -3.084 12.354 -7.627 573 HG3 GLN 69 1HG GLN 69 -4.602 12.071 -8.477 574 HE21 GLN 69 1HE2 GLN 69 -6.075 13.752 -8.681 575 HE22 GLN 69 2HE2 GLN 69 -5.617 15.408 -8.483 576 H CYS 70 H CYS 70 -4.067 10.474 -3.735 577 HA CYS 70 HA CYS 70 -6.563 10.903 -2.323 578 HB2 CYS 70 2HB CYS 70 -5.897 8.674 -3.255 579 HB3 CYS 70 1HB CYS 70 -4.608 8.610 -2.059 580 HG CYS 70 HG CYS 70 -6.733 8.985 0.023 581 H GLN 71 H GLN 71 -3.273 11.541 -1.827 582 HA GLN 71 HA GLN 71 -2.004 12.184 -0.072 583 HB2 GLN 71 2HB GLN 71 -4.717 13.027 0.942 584 HB3 GLN 71 1HB GLN 71 -3.224 13.388 1.798 585 HG2 GLN 71 2HG GLN 71 -2.406 14.591 -0.184 586 HG3 GLN 71 1HG GLN 71 -3.943 14.279 -0.987 587 HE21 GLN 71 1HE2 GLN 71 -5.769 15.390 -0.341 588 HE22 GLN 71 2HE2 GLN 71 -5.682 16.802 0.667 589 H ILE 72 H ILE 72 -2.070 9.624 -0.044 590 HA ILE 72 HA ILE 72 -3.108 8.522 2.410 591 HB ILE 72 HB ILE 72 -1.166 7.280 0.450 592 HG12 ILE 72 2HG1 ILE 72 -4.172 6.964 0.666 593 HG13 ILE 72 1HG1 ILE 72 -3.333 7.878 -0.584 594 HG21 ILE 72 1HG2 ILE 72 -2.858 6.026 2.613 595 HG22 ILE 72 2HG2 ILE 72 -1.108 6.228 2.654 596 HG23 ILE 72 3HG2 ILE 72 -1.842 5.155 1.465 597 HD11 ILE 72 3HD1 ILE 72 -4.024 5.700 -1.396 598 HD12 ILE 72 1HD1 ILE 72 -3.105 4.916 -0.112 599 HD13 ILE 72 2HD1 ILE 72 -2.265 5.828 -1.365 600 H VAL 73 H VAL 73 -2.183 9.418 4.160 601 HA VAL 73 HA VAL 73 0.677 9.814 4.293 602 HB VAL 73 HB VAL 73 0.222 10.660 6.592 603 HG11 VAL 73 1HG1 VAL 73 0.234 12.181 4.695 604 HG12 VAL 73 2HG1 VAL 73 -0.979 12.679 5.875 605 HG13 VAL 73 3HG1 VAL 73 -1.473 11.849 4.399 606 HG21 VAL 73 3HG2 VAL 73 -2.666 10.140 5.874 607 HG22 VAL 73 1HG2 VAL 73 -2.097 11.013 7.298 608 HG23 VAL 73 2HG2 VAL 73 -1.737 9.297 7.116 609 HA PRO 74 HA PRO 74 1.600 5.845 5.954 610 HB2 PRO 74 2HB PRO 74 3.963 6.421 7.182 611 HB3 PRO 74 1HB PRO 74 3.793 6.257 5.430 612 HG2 PRO 74 2HG PRO 74 3.873 8.735 7.106 613 HG3 PRO 74 1HG PRO 74 4.662 8.405 5.553 614 HD2 PRO 74 2HD PRO 74 2.392 9.856 5.742 615 HD3 PRO 74 1HD PRO 74 2.738 8.814 4.345 616 H THR 75 H THR 75 0.768 8.467 7.864 617 HA THR 75 HA THR 75 1.056 6.972 10.366 618 HB THR 75 HB THR 75 1.877 9.282 10.410 619 HG1 THR 75 HG1 THR 75 -0.409 8.626 11.946 620 HG21 THR 75 3HG2 THR 75 0.346 11.176 10.200 621 HG22 THR 75 1HG2 THR 75 -0.971 10.073 9.798 622 HG23 THR 75 2HG2 THR 75 0.404 10.241 8.705 623 H SER 76 H SER 76 -1.023 6.909 7.988 624 HA SER 76 HA SER 76 -3.464 7.151 9.592 625 HB2 SER 76 2HB SER 76 -3.271 8.231 7.302 626 HB3 SER 76 1HB SER 76 -3.244 6.606 6.623 627 HG SER 76 HG SER 76 -5.345 8.020 7.163 628 H ASP 77 H ASP 77 -5.101 5.394 9.262 629 HA ASP 77 HA ASP 77 -3.816 2.822 9.638 630 HB2 ASP 77 2HB ASP 77 -5.586 3.412 11.180 631 HB3 ASP 77 1HB ASP 77 -6.708 3.681 9.849 632 H ILE 78 H ILE 78 -3.760 1.204 8.202 633 HA ILE 78 HA ILE 78 -5.312 1.517 5.717 634 HB ILE 78 HB ILE 78 -2.427 0.633 5.912 635 HG12 ILE 78 2HG1 ILE 78 -3.637 3.121 4.678 636 HG13 ILE 78 1HG1 ILE 78 -2.787 3.074 6.219 637 HG21 ILE 78 1HG2 ILE 78 -4.210 0.964 3.502 638 HG22 ILE 78 2HG2 ILE 78 -3.627 -0.563 4.164 639 HG23 ILE 78 3HG2 ILE 78 -2.487 0.587 3.464 640 HD11 ILE 78 3HD1 ILE 78 -1.624 2.492 3.510 641 HD12 ILE 78 1HD1 ILE 78 -0.755 2.350 5.038 642 HD13 ILE 78 2HD1 ILE 78 -1.341 3.923 4.499 643 H GLN 79 H GLN 79 -6.703 -0.087 5.632 644 HA GLN 79 HA GLN 79 -5.898 -2.754 6.596 645 HB2 GLN 79 2HB GLN 79 -7.829 -1.798 7.771 646 HB3 GLN 79 1HB GLN 79 -8.659 -1.558 6.240 647 HG2 GLN 79 2HG GLN 79 -9.605 -3.479 7.200 648 HG3 GLN 79 1HG GLN 79 -8.544 -4.054 5.918 649 HE21 GLN 79 1HE2 GLN 79 -9.541 -5.479 8.229 650 HE22 GLN 79 2HE2 GLN 79 -8.153 -6.012 9.119 651 H LEU 80 H LEU 80 -5.704 -4.347 5.143 652 HA LEU 80 HA LEU 80 -6.806 -3.938 2.451 653 HB2 LEU 80 2HB LEU 80 -4.764 -5.903 3.484 654 HB3 LEU 80 1HB LEU 80 -5.415 -5.947 1.859 655 HG LEU 80 HG LEU 80 -3.752 -3.741 3.070 656 HD11 LEU 80 1HD1 LEU 80 -2.471 -5.716 2.488 657 HD12 LEU 80 2HD1 LEU 80 -2.132 -4.414 1.350 658 HD13 LEU 80 3HD1 LEU 80 -3.197 -5.741 0.882 659 HD21 LEU 80 3HD2 LEU 80 -4.950 -3.960 0.309 660 HD22 LEU 80 1HD2 LEU 80 -3.842 -2.703 0.862 661 HD23 LEU 80 2HD2 LEU 80 -5.453 -2.832 1.569 662 H GLU 81 H GLU 81 -8.762 -4.704 2.182 663 HA GLU 81 HA GLU 81 -9.617 -7.060 3.694 664 HB2 GLU 81 2HB GLU 81 -10.902 -4.686 3.149 665 HB3 GLU 81 1HB GLU 81 -11.578 -5.760 1.932 666 HG2 GLU 81 2HG GLU 81 -11.531 -6.351 4.879 667 HG3 GLU 81 1HG GLU 81 -12.892 -5.627 4.027 668 H VAL 82 H VAL 82 -10.286 -8.931 2.694 669 HA VAL 82 HA VAL 82 -9.240 -9.250 -0.029 670 HB VAL 82 HB VAL 82 -10.002 -11.411 1.950 671 HG11 VAL 82 1HG1 VAL 82 -10.055 -12.160 -0.364 672 HG12 VAL 82 2HG1 VAL 82 -8.684 -12.871 0.487 673 HG13 VAL 82 3HG1 VAL 82 -8.430 -11.524 -0.622 674 HG21 VAL 82 3HG2 VAL 82 -7.273 -10.303 1.294 675 HG22 VAL 82 1HG2 VAL 82 -7.609 -11.671 2.355 676 HG23 VAL 82 2HG2 VAL 82 -8.153 -10.054 2.802 677 H SER 83 H SER 83 -10.752 -8.879 -1.504 678 HA SER 83 HA SER 83 -13.509 -9.663 -1.084 679 HB2 SER 83 2HB SER 83 -12.165 -8.424 -3.499 680 HB3 SER 83 1HB SER 83 -13.904 -8.595 -3.261 681 HG SER 83 HG SER 83 -13.324 -7.378 -1.168 682 H SER 84 H SER 84 -14.487 -10.626 -3.294 683 HA SER 84 HA SER 84 -12.785 -12.774 -4.284 684 HB2 SER 84 2HB SER 84 -14.873 -14.311 -3.931 685 HB3 SER 84 1HB SER 84 -13.792 -13.996 -2.571 686 HG SER 84 HG SER 84 -15.257 -12.349 -1.900 Start of MODEL 13 1 H1 MET 1 1H MET 1 18.081 32.053 -3.642 2 H2 MET 1 2H MET 1 19.586 32.515 -4.268 3 H3 MET 1 3H MET 1 19.117 30.884 -4.304 4 HA MET 1 HA MET 1 17.912 33.120 -5.824 5 HB2 MET 1 2HB MET 1 19.395 30.637 -6.717 6 HB3 MET 1 1HB MET 1 18.634 31.799 -7.793 7 HG2 MET 1 2HG MET 1 20.917 32.370 -5.917 8 HG3 MET 1 1HG MET 1 21.044 32.124 -7.659 9 HE1 MET 1 3HE MET 1 19.141 35.236 -9.074 10 HE2 MET 1 1HE MET 1 18.501 33.620 -8.766 11 HE3 MET 1 2HE MET 1 20.105 33.813 -9.473 12 H GLY 2 H GLY 2 17.850 29.611 -5.248 13 HA2 GLY 2 2HA GLY 2 15.055 29.483 -4.942 14 HA3 GLY 2 1HA GLY 2 15.469 29.048 -6.599 15 H HIS 3 H HIS 3 14.309 27.075 -5.225 16 HA HIS 3 HA HIS 3 16.553 25.457 -4.237 17 HB2 HIS 3 2HB HIS 3 14.964 24.209 -2.831 18 HB3 HIS 3 1HB HIS 3 15.013 25.916 -2.420 19 HD1 HIS 3 HD1 HIS 3 12.700 23.260 -2.897 20 HD2 HIS 3 HD2 HIS 3 12.685 27.336 -3.739 21 HE1 HIS 3 HE1 HIS 3 10.287 23.885 -3.182 22 HE2 HIS 3 HE2 HIS 3 10.291 26.383 -3.482 23 H HIS 4 H HIS 4 17.161 24.444 -6.021 24 HA HIS 4 HA HIS 4 15.216 23.156 -7.747 25 HB2 HIS 4 2HB HIS 4 17.333 22.398 -8.985 26 HB3 HIS 4 1HB HIS 4 16.968 24.118 -8.987 27 HD1 HIS 4 HD1 HIS 4 18.822 25.619 -8.329 28 HD2 HIS 4 HD2 HIS 4 19.424 21.725 -6.988 29 HE1 HIS 4 HE1 HIS 4 21.130 25.592 -7.327 30 HE2 HIS 4 HE2 HIS 4 21.379 23.292 -6.333 31 H HIS 5 H HIS 5 14.696 22.032 -5.566 32 HA HIS 5 HA HIS 5 15.900 19.372 -5.647 33 HB2 HIS 5 2HB HIS 5 17.157 20.582 -3.914 34 HB3 HIS 5 1HB HIS 5 15.654 21.041 -3.125 35 HD1 HIS 5 HD1 HIS 5 15.061 19.605 -1.194 36 HD2 HIS 5 HD2 HIS 5 17.389 17.578 -3.983 37 HE1 HIS 5 HE1 HIS 5 15.504 17.344 -0.194 38 HE2 HIS 5 HE2 HIS 5 16.782 16.083 -1.963 39 H HIS 6 H HIS 6 14.337 17.864 -5.592 40 HA HIS 6 HA HIS 6 11.630 18.697 -4.876 41 HB2 HIS 6 2HB HIS 6 12.699 16.170 -6.152 42 HB3 HIS 6 1HB HIS 6 11.007 16.397 -5.724 43 HD1 HIS 6 HD1 HIS 6 11.128 15.924 -8.539 44 HD2 HIS 6 HD2 HIS 6 12.052 19.695 -7.047 45 HE1 HIS 6 HE1 HIS 6 10.861 17.503 -10.476 46 HE2 HIS 6 HE2 HIS 6 11.621 19.743 -9.593 47 H HIS 7 H HIS 7 10.346 16.792 -3.737 48 HA HIS 7 HA HIS 7 11.544 16.571 -1.131 49 HB2 HIS 7 2HB HIS 7 8.950 15.450 -2.222 50 HB3 HIS 7 1HB HIS 7 9.444 15.360 -0.537 51 HD1 HIS 7 HD1 HIS 7 7.117 17.100 -2.341 52 HD2 HIS 7 HD2 HIS 7 10.193 18.368 0.157 53 HE1 HIS 7 HE1 HIS 7 6.474 19.412 -1.589 54 HE2 HIS 7 HE2 HIS 7 8.240 20.067 0.083 55 H HIS 8 H HIS 8 12.022 14.638 -0.020 56 HA HIS 8 HA HIS 8 13.346 12.637 -1.452 57 HB2 HIS 8 2HB HIS 8 12.213 12.625 1.348 58 HB3 HIS 8 1HB HIS 8 13.146 11.284 0.693 59 HD1 HIS 8 HD1 HIS 8 13.671 13.833 2.923 60 HD2 HIS 8 HD2 HIS 8 15.707 12.687 -0.522 61 HE1 HIS 8 HE1 HIS 8 15.993 14.778 3.159 62 HE2 HIS 8 HE2 HIS 8 17.229 14.020 1.093 63 H SER 9 H SER 9 12.339 11.541 -2.987 64 HA SER 9 HA SER 9 9.580 10.732 -2.677 65 HB2 SER 9 2HB SER 9 11.473 10.167 -4.970 66 HB3 SER 9 1HB SER 9 9.710 10.088 -4.996 67 HG SER 9 HG SER 9 10.839 12.504 -4.189 68 H HIS 10 H HIS 10 9.849 9.323 -0.932 69 HA HIS 10 HA HIS 10 10.236 6.593 -1.655 70 HB2 HIS 10 2HB HIS 10 12.607 7.336 -1.311 71 HB3 HIS 10 1HB HIS 10 12.192 7.770 0.341 72 HD1 HIS 10 HD1 HIS 10 12.665 6.014 2.024 73 HD2 HIS 10 HD2 HIS 10 12.120 4.431 -1.789 74 HE1 HIS 10 HE1 HIS 10 13.095 3.543 2.243 75 HE2 HIS 10 HE2 HIS 10 12.777 2.600 -0.078 76 H MET 11 H MET 11 8.267 6.121 -0.797 77 HA MET 11 HA MET 11 7.822 6.857 2.026 78 HB2 MET 11 2HB MET 11 5.810 6.510 -0.204 79 HB3 MET 11 1HB MET 11 5.382 6.728 1.486 80 HG2 MET 11 2HG MET 11 6.420 8.928 1.478 81 HG3 MET 11 1HG MET 11 6.894 8.705 -0.204 82 HE1 MET 11 3HE MET 11 2.508 9.018 1.206 83 HE2 MET 11 1HE MET 11 3.893 9.145 2.291 84 HE3 MET 11 2HE MET 11 3.519 7.608 1.511 85 H LYS 12 H LYS 12 7.386 5.255 3.431 86 HA LYS 12 HA LYS 12 6.565 2.663 2.314 87 HB2 LYS 12 2HB LYS 12 8.514 3.084 4.588 88 HB3 LYS 12 1HB LYS 12 7.861 1.529 4.095 89 HG2 LYS 12 2HG LYS 12 8.885 1.957 1.830 90 HG3 LYS 12 1HG LYS 12 9.727 3.319 2.575 91 HD2 LYS 12 2HD LYS 12 9.918 0.420 3.394 92 HD3 LYS 12 1HD LYS 12 11.160 1.361 2.568 93 HE2 LYS 12 2HE LYS 12 11.427 2.787 4.487 94 HE3 LYS 12 1HE LYS 12 10.067 2.014 5.301 95 HZ1 LYS 12 3HZ LYS 12 11.325 -0.060 5.327 96 HZ2 LYS 12 1HZ LYS 12 12.149 1.173 6.144 97 HZ3 LYS 12 2HZ LYS 12 12.642 0.713 4.588 98 H PHE 13 H PHE 13 4.711 1.979 3.135 99 HA PHE 13 HA PHE 13 3.966 2.892 5.826 100 HB2 PHE 13 2HB PHE 13 1.670 3.198 5.163 101 HB3 PHE 13 1HB PHE 13 2.685 4.134 4.074 102 HD1 PHE 13 HD1 PHE 13 3.266 3.026 1.800 103 HD2 PHE 13 HD2 PHE 13 0.079 1.761 4.324 104 HE1 PHE 13 HE1 PHE 13 2.167 1.956 -0.124 105 HE2 PHE 13 HE2 PHE 13 -1.022 0.691 2.403 106 HZ PHE 13 HZ PHE 13 0.022 0.788 0.178 107 H LEU 14 H LEU 14 2.768 1.435 7.062 108 HA LEU 14 HA LEU 14 3.328 -1.308 6.455 109 HB2 LEU 14 2HB LEU 14 3.466 -0.471 8.747 110 HB3 LEU 14 1HB LEU 14 1.762 -0.062 8.716 111 HG LEU 14 HG LEU 14 1.188 -2.441 8.531 112 HD11 LEU 14 1HD1 LEU 14 3.171 -3.216 7.346 113 HD12 LEU 14 2HD1 LEU 14 2.919 -4.147 8.822 114 HD13 LEU 14 3HD1 LEU 14 4.159 -2.895 8.769 115 HD21 LEU 14 3HD2 LEU 14 3.049 -1.784 10.812 116 HD22 LEU 14 1HD2 LEU 14 1.883 -3.105 10.791 117 HD23 LEU 14 2HD2 LEU 14 1.321 -1.435 10.735 118 H VAL 15 H VAL 15 2.160 -2.354 5.007 119 HA VAL 15 HA VAL 15 -0.623 -1.741 4.559 120 HB VAL 15 HB VAL 15 1.027 -4.012 3.430 121 HG11 VAL 15 1HG1 VAL 15 -1.355 -4.423 3.265 122 HG12 VAL 15 2HG1 VAL 15 -0.687 -4.069 1.671 123 HG13 VAL 15 3HG1 VAL 15 -1.601 -2.836 2.541 124 HG21 VAL 15 3HG2 VAL 15 1.270 -2.613 1.432 125 HG22 VAL 15 1HG2 VAL 15 2.007 -1.864 2.848 126 HG23 VAL 15 2HG2 VAL 15 0.444 -1.294 2.263 127 H GLU 16 H GLU 16 -1.897 -2.302 6.222 128 HA GLU 16 HA GLU 16 -1.512 -4.736 7.699 129 HB2 GLU 16 2HB GLU 16 -2.439 -2.607 8.675 130 HB3 GLU 16 1HB GLU 16 -3.897 -2.872 7.727 131 HG2 GLU 16 2HG GLU 16 -4.121 -3.588 10.067 132 HG3 GLU 16 1HG GLU 16 -4.364 -4.904 8.918 133 H ASN 17 H ASN 17 -2.747 -6.614 7.558 134 HA ASN 17 HA ASN 17 -4.482 -6.759 5.179 135 HB2 ASN 17 2HB ASN 17 -2.170 -7.800 4.905 136 HB3 ASN 17 1HB ASN 17 -2.673 -8.997 6.092 137 HD21 ASN 17 1HD2 ASN 17 -1.917 -9.355 3.312 138 HD22 ASN 17 2HD2 ASN 17 -3.269 -10.115 2.549 139 H LEU 18 H LEU 18 -6.373 -7.806 5.407 140 HA LEU 18 HA LEU 18 -7.322 -8.425 8.022 141 HB2 LEU 18 2HB LEU 18 -8.741 -7.497 6.237 142 HB3 LEU 18 1HB LEU 18 -8.538 -8.973 5.314 143 HG LEU 18 HG LEU 18 -9.691 -10.215 7.138 144 HD11 LEU 18 1HD1 LEU 18 -10.925 -8.943 8.816 145 HD12 LEU 18 2HD1 LEU 18 -10.201 -7.449 8.220 146 HD13 LEU 18 3HD1 LEU 18 -9.187 -8.684 8.965 147 HD21 LEU 18 3HD2 LEU 18 -10.900 -9.458 5.154 148 HD22 LEU 18 1HD2 LEU 18 -11.236 -7.917 5.941 149 HD23 LEU 18 2HD2 LEU 18 -11.927 -9.406 6.585 150 H ASN 19 H ASN 19 -6.064 -10.283 5.344 151 HA ASN 19 HA ASN 19 -5.797 -12.610 7.022 152 HB2 ASN 19 2HB ASN 19 -8.112 -12.859 6.177 153 HB3 ASN 19 1HB ASN 19 -7.501 -12.782 4.528 154 HD21 ASN 19 1HD2 ASN 19 -6.389 -14.540 3.679 155 HD22 ASN 19 2HD2 ASN 19 -6.426 -16.101 4.426 156 H GLY 20 H GLY 20 -3.651 -12.696 6.684 157 HA2 GLY 20 2HA GLY 20 -2.469 -14.058 4.700 158 HA3 GLY 20 1HA GLY 20 -2.572 -12.451 3.995 159 H SER 21 H SER 21 -0.970 -11.086 4.389 160 HA SER 21 HA SER 21 0.620 -11.374 6.823 161 HB2 SER 21 2HB SER 21 1.825 -12.701 5.162 162 HB3 SER 21 1HB SER 21 1.769 -11.365 4.015 163 HG SER 21 HG SER 21 3.000 -11.108 6.557 164 H SER 22 H SER 22 1.219 -9.436 7.650 165 HA SER 22 HA SER 22 0.421 -7.025 6.251 166 HB2 SER 22 2HB SER 22 1.814 -7.222 8.934 167 HB3 SER 22 1HB SER 22 0.812 -5.901 8.327 168 HG SER 22 HG SER 22 -0.859 -6.891 9.116 169 H PHE 23 H PHE 23 1.810 -5.713 5.159 170 HA PHE 23 HA PHE 23 4.670 -6.361 5.347 171 HB2 PHE 23 2HB PHE 23 3.638 -7.619 3.472 172 HB3 PHE 23 1HB PHE 23 3.115 -6.096 2.765 173 HD1 PHE 23 HD1 PHE 23 6.196 -7.840 3.910 174 HD2 PHE 23 HD2 PHE 23 4.450 -5.068 1.199 175 HE1 PHE 23 HE1 PHE 23 8.333 -7.684 2.703 176 HE2 PHE 23 HE2 PHE 23 6.584 -4.905 -0.014 177 HZ PHE 23 HZ PHE 23 8.529 -6.215 0.738 178 H GLU 24 H GLU 24 5.945 -4.640 5.446 179 HA GLU 24 HA GLU 24 4.911 -1.979 5.042 180 HB2 GLU 24 2HB GLU 24 6.584 -2.406 6.776 181 HB3 GLU 24 1HB GLU 24 7.719 -2.981 5.564 182 HG2 GLU 24 2HG GLU 24 7.665 -0.712 4.539 183 HG3 GLU 24 1HG GLU 24 6.691 -0.178 5.909 184 H LEU 25 H LEU 25 4.498 -1.389 2.998 185 HA LEU 25 HA LEU 25 6.181 -2.465 0.855 186 HB2 LEU 25 2HB LEU 25 3.553 -2.585 1.029 187 HB3 LEU 25 1HB LEU 25 3.639 -0.966 0.368 188 HG LEU 25 HG LEU 25 4.963 -3.308 -0.989 189 HD11 LEU 25 1HD1 LEU 25 2.160 -2.277 -1.382 190 HD12 LEU 25 2HD1 LEU 25 2.619 -3.861 -0.757 191 HD13 LEU 25 3HD1 LEU 25 2.982 -3.433 -2.428 192 HD21 LEU 25 3HD2 LEU 25 5.675 -1.068 -1.680 193 HD22 LEU 25 1HD2 LEU 25 3.997 -0.646 -2.021 194 HD23 LEU 25 2HD2 LEU 25 4.798 -1.903 -2.962 195 H GLU 26 H GLU 26 7.403 -1.224 -0.399 196 HA GLU 26 HA GLU 26 7.745 1.565 0.318 197 HB2 GLU 26 2HB GLU 26 9.721 0.147 0.082 198 HB3 GLU 26 1HB GLU 26 9.278 -0.225 -1.578 199 HG2 GLU 26 2HG GLU 26 9.483 2.221 -2.080 200 HG3 GLU 26 1HG GLU 26 10.159 2.424 -0.464 201 H VAL 27 H VAL 27 6.491 3.005 -0.650 202 HA VAL 27 HA VAL 27 5.911 2.655 -3.517 203 HB VAL 27 HB VAL 27 3.868 3.999 -3.189 204 HG11 VAL 27 1HG1 VAL 27 3.743 1.565 -3.163 205 HG12 VAL 27 2HG1 VAL 27 2.548 2.271 -2.075 206 HG13 VAL 27 3HG1 VAL 27 4.026 1.561 -1.422 207 HG21 VAL 27 3HG2 VAL 27 3.024 4.434 -0.938 208 HG22 VAL 27 1HG2 VAL 27 4.568 5.243 -1.202 209 HG23 VAL 27 2HG2 VAL 27 4.503 3.762 -0.249 210 H ASP 28 H ASP 28 5.101 4.991 -4.316 211 HA ASP 28 HA ASP 28 7.078 6.988 -3.469 212 HB2 ASP 28 2HB ASP 28 7.908 5.724 -5.473 213 HB3 ASP 28 1HB ASP 28 6.486 6.269 -6.352 214 H TYR 29 H TYR 29 6.476 9.176 -4.146 215 HA TYR 29 HA TYR 29 3.774 9.796 -3.703 216 HB2 TYR 29 2HB TYR 29 6.005 11.423 -4.932 217 HB3 TYR 29 1HB TYR 29 4.420 12.082 -4.553 218 HD1 TYR 29 HD2 TYR 29 7.522 10.700 -3.098 219 HD2 TYR 29 HD1 TYR 29 3.823 12.657 -2.322 220 HE1 TYR 29 HE2 TYR 29 8.282 11.226 -0.820 221 HE2 TYR 29 HE1 TYR 29 4.576 13.189 -0.042 222 HH TYR 29 HH TYR 29 7.810 12.853 0.949 223 H ARG 30 H ARG 30 5.581 9.114 -6.576 224 HA ARG 30 HA ARG 30 3.604 10.268 -8.362 225 HB2 ARG 30 2HB ARG 30 6.108 10.405 -8.657 226 HB3 ARG 30 1HB ARG 30 6.086 8.690 -9.030 227 HG2 ARG 30 2HG ARG 30 4.715 9.095 -10.973 228 HG3 ARG 30 1HG ARG 30 4.628 10.817 -10.579 229 HD2 ARG 30 2HD ARG 30 7.065 10.972 -10.778 230 HD3 ARG 30 1HD ARG 30 7.137 9.262 -11.195 231 HE ARG 30 HE ARG 30 5.453 10.853 -12.921 232 HH11 ARG 30 1HH1 ARG 30 8.658 9.642 -12.292 233 HH12 ARG 30 2HH1 ARG 30 9.188 9.753 -13.940 234 HH21 ARG 30 1HH2 ARG 30 6.122 11.034 -15.112 235 HH22 ARG 30 2HH2 ARG 30 7.728 10.530 -15.557 236 H ASP 31 H ASP 31 3.788 7.423 -6.709 237 HA ASP 31 HA ASP 31 2.887 5.666 -8.826 238 HB2 ASP 31 2HB ASP 31 3.552 5.364 -5.951 239 HB3 ASP 31 1HB ASP 31 2.335 4.262 -6.586 240 H THR 32 H THR 32 0.834 5.022 -9.224 241 HA THR 32 HA THR 32 -1.277 6.550 -7.903 242 HB THR 32 HB THR 32 -2.605 5.350 -9.882 243 HG1 THR 32 HG1 THR 32 -0.145 5.761 -11.191 244 HG21 THR 32 3HG2 THR 32 -2.435 7.762 -9.562 245 HG22 THR 32 1HG2 THR 32 -2.189 7.340 -11.257 246 HG23 THR 32 2HG2 THR 32 -0.808 7.747 -10.241 247 H LEU 33 H LEU 33 -3.320 5.458 -7.426 248 HA LEU 33 HA LEU 33 -2.981 3.278 -5.726 249 HB2 LEU 33 2HB LEU 33 -5.472 4.360 -7.024 250 HB3 LEU 33 1HB LEU 33 -5.482 3.149 -5.756 251 HG LEU 33 HG LEU 33 -4.401 5.956 -5.487 252 HD11 LEU 33 1HD1 LEU 33 -6.340 6.317 -4.031 253 HD12 LEU 33 2HD1 LEU 33 -6.930 4.705 -4.430 254 HD13 LEU 33 3HD1 LEU 33 -6.820 5.939 -5.684 255 HD21 LEU 33 3HD2 LEU 33 -4.763 3.778 -3.431 256 HD22 LEU 33 1HD2 LEU 33 -4.238 5.431 -3.107 257 HD23 LEU 33 2HD2 LEU 33 -3.223 4.355 -4.067 258 H LEU 34 H LEU 34 -3.721 3.350 -9.140 259 HA LEU 34 HA LEU 34 -4.531 0.630 -9.342 260 HB2 LEU 34 2HB LEU 34 -5.055 2.312 -11.063 261 HB3 LEU 34 1HB LEU 34 -3.349 2.453 -11.441 262 HG LEU 34 HG LEU 34 -3.335 0.094 -12.184 263 HD11 LEU 34 1HD1 LEU 34 -5.458 -1.073 -12.518 264 HD12 LEU 34 2HD1 LEU 34 -6.308 0.241 -11.707 265 HD13 LEU 34 3HD1 LEU 34 -5.157 -0.749 -10.810 266 HD21 LEU 34 3HD2 LEU 34 -4.607 0.447 -14.248 267 HD22 LEU 34 1HD2 LEU 34 -3.671 1.876 -13.808 268 HD23 LEU 34 2HD2 LEU 34 -5.410 1.834 -13.514 269 H VAL 35 H VAL 35 -1.452 2.321 -9.800 270 HA VAL 35 HA VAL 35 -0.007 0.031 -10.635 271 HB VAL 35 HB VAL 35 1.019 2.643 -9.505 272 HG11 VAL 35 1HG1 VAL 35 3.152 2.047 -10.567 273 HG12 VAL 35 2HG1 VAL 35 2.485 0.477 -11.015 274 HG13 VAL 35 3HG1 VAL 35 2.704 0.890 -9.314 275 HG21 VAL 35 3HG2 VAL 35 1.437 3.205 -11.868 276 HG22 VAL 35 1HG2 VAL 35 -0.276 2.961 -11.528 277 HG23 VAL 35 2HG2 VAL 35 0.647 1.703 -12.346 278 H VAL 36 H VAL 36 -0.519 1.562 -7.482 279 HA VAL 36 HA VAL 36 1.393 -0.027 -6.118 280 HB VAL 36 HB VAL 36 0.524 2.100 -5.191 281 HG11 VAL 36 1HG1 VAL 36 -1.969 0.522 -4.593 282 HG12 VAL 36 2HG1 VAL 36 -1.830 1.854 -5.742 283 HG13 VAL 36 3HG1 VAL 36 -1.608 2.149 -4.017 284 HG21 VAL 36 3HG2 VAL 36 0.173 -0.310 -3.416 285 HG22 VAL 36 1HG2 VAL 36 0.385 1.350 -2.858 286 HG23 VAL 36 2HG2 VAL 36 1.680 0.543 -3.741 287 H LYS 37 H LYS 37 -2.047 -0.485 -6.828 288 HA LYS 37 HA LYS 37 -2.369 -2.795 -5.237 289 HB2 LYS 37 2HB LYS 37 -3.840 -1.739 -7.631 290 HB3 LYS 37 1HB LYS 37 -4.232 -3.315 -6.959 291 HG2 LYS 37 2HG LYS 37 -4.546 -2.141 -4.739 292 HG3 LYS 37 1HG LYS 37 -4.465 -0.627 -5.645 293 HD2 LYS 37 2HD LYS 37 -6.372 -1.246 -6.964 294 HD3 LYS 37 1HD LYS 37 -6.397 -2.860 -6.251 295 HE2 LYS 37 2HE LYS 37 -6.877 -1.863 -4.057 296 HE3 LYS 37 1HE LYS 37 -6.883 -0.263 -4.795 297 HZ1 LYS 37 3HZ LYS 37 -8.761 -2.474 -5.438 298 HZ2 LYS 37 1HZ LYS 37 -8.762 -0.940 -6.166 299 HZ3 LYS 37 2HZ LYS 37 -9.118 -1.101 -4.520 300 H GLN 38 H GLN 38 -1.197 -2.299 -8.516 301 HA GLN 38 HA GLN 38 -1.015 -5.022 -9.234 302 HB2 GLN 38 2HB GLN 38 0.609 -2.650 -10.170 303 HB3 GLN 38 1HB GLN 38 0.620 -4.235 -10.933 304 HG2 GLN 38 2HG GLN 38 -1.749 -4.016 -11.445 305 HG3 GLN 38 1HG GLN 38 -1.781 -2.443 -10.652 306 HE21 GLN 38 1HE2 GLN 38 -2.403 -3.185 -13.407 307 HE22 GLN 38 2HE2 GLN 38 -1.355 -2.225 -14.403 308 H LYS 39 H LYS 39 1.116 -2.870 -7.447 309 HA LYS 39 HA LYS 39 3.312 -4.642 -7.205 310 HB2 LYS 39 2HB LYS 39 2.340 -2.359 -5.485 311 HB3 LYS 39 1HB LYS 39 3.767 -3.296 -5.073 312 HG2 LYS 39 2HG LYS 39 4.819 -2.623 -7.180 313 HG3 LYS 39 1HG LYS 39 3.384 -1.677 -7.588 314 HD2 LYS 39 2HD LYS 39 3.755 -0.155 -5.834 315 HD3 LYS 39 1HD LYS 39 4.904 -1.224 -5.035 316 HE2 LYS 39 2HE LYS 39 6.135 0.554 -6.050 317 HE3 LYS 39 1HE LYS 39 6.439 -0.914 -6.974 318 HZ1 LYS 39 3HZ LYS 39 4.563 1.270 -7.728 319 HZ2 LYS 39 1HZ LYS 39 4.820 -0.157 -8.614 320 HZ3 LYS 39 2HZ LYS 39 6.075 0.962 -8.429 321 H ILE 40 H ILE 40 0.455 -4.053 -5.194 322 HA ILE 40 HA ILE 40 1.097 -5.929 -3.176 323 HB ILE 40 HB ILE 40 -1.624 -4.887 -3.989 324 HG12 ILE 40 2HG1 ILE 40 0.287 -3.903 -1.854 325 HG13 ILE 40 1HG1 ILE 40 -0.007 -3.104 -3.396 326 HG21 ILE 40 1HG2 ILE 40 -1.777 -6.902 -2.630 327 HG22 ILE 40 2HG2 ILE 40 -2.302 -5.489 -1.711 328 HG23 ILE 40 3HG2 ILE 40 -0.706 -6.186 -1.426 329 HD11 ILE 40 3HD1 ILE 40 -2.318 -2.711 -2.764 330 HD12 ILE 40 1HD1 ILE 40 -1.214 -2.038 -1.566 331 HD13 ILE 40 2HD1 ILE 40 -2.055 -3.555 -1.238 332 H GLU 41 H GLU 41 -0.546 -6.193 -6.260 333 HA GLU 41 HA GLU 41 -1.701 -8.739 -5.900 334 HB2 GLU 41 2HB GLU 41 -2.231 -7.098 -7.738 335 HB3 GLU 41 1HB GLU 41 -0.717 -7.555 -8.502 336 HG2 GLU 41 2HG GLU 41 -1.498 -9.833 -8.756 337 HG3 GLU 41 1HG GLU 41 -2.994 -9.430 -7.915 338 H ARG 42 H ARG 42 1.532 -7.722 -6.463 339 HA ARG 42 HA ARG 42 2.401 -10.430 -7.110 340 HB2 ARG 42 2HB ARG 42 3.420 -8.685 -8.420 341 HB3 ARG 42 1HB ARG 42 3.882 -7.803 -6.974 342 HG2 ARG 42 2HG ARG 42 5.599 -9.280 -6.470 343 HG3 ARG 42 1HG ARG 42 4.921 -10.561 -7.475 344 HD2 ARG 42 2HD ARG 42 5.921 -7.965 -8.615 345 HD3 ARG 42 1HD ARG 42 6.970 -9.363 -8.382 346 HE ARG 42 HE ARG 42 4.680 -10.162 -9.811 347 HH11 ARG 42 1HH1 ARG 42 7.470 -8.095 -10.281 348 HH12 ARG 42 2HH1 ARG 42 7.644 -8.502 -11.958 349 HH21 ARG 42 1HH2 ARG 42 4.907 -10.688 -12.035 350 HH22 ARG 42 2HH2 ARG 42 6.199 -9.962 -12.953 351 H SER 43 H SER 43 2.623 -8.018 -4.561 352 HA SER 43 HA SER 43 4.456 -9.442 -2.931 353 HB2 SER 43 2HB SER 43 4.161 -7.031 -2.692 354 HB3 SER 43 1HB SER 43 2.479 -7.262 -2.216 355 HG SER 43 HG SER 43 4.720 -8.281 -0.793 356 H GLN 44 H GLN 44 0.911 -9.041 -2.700 357 HA GLN 44 HA GLN 44 0.840 -11.165 -0.685 358 HB2 GLN 44 2HB GLN 44 -1.298 -9.272 -1.668 359 HB3 GLN 44 1HB GLN 44 -1.560 -10.511 -0.451 360 HG2 GLN 44 2HG GLN 44 0.275 -8.137 -0.232 361 HG3 GLN 44 1HG GLN 44 -1.265 -8.361 0.594 362 HE21 GLN 44 1HE2 GLN 44 2.091 -9.047 0.588 363 HE22 GLN 44 2HE2 GLN 44 2.139 -9.947 2.059 364 H HIS 45 H HIS 45 0.475 -10.724 -3.988 365 HA HIS 45 HA HIS 45 -0.177 -12.031 -5.711 366 HB2 HIS 45 2HB HIS 45 0.576 -13.875 -3.662 367 HB3 HIS 45 1HB HIS 45 -0.805 -14.530 -4.538 368 HD1 HIS 45 HD1 HIS 45 1.183 -16.298 -5.254 369 HD2 HIS 45 HD2 HIS 45 1.292 -12.490 -6.930 370 HE1 HIS 45 HE1 HIS 45 2.669 -16.484 -7.275 371 HE2 HIS 45 HE2 HIS 45 2.762 -14.160 -8.248 372 H ILE 46 H ILE 46 -2.116 -10.628 -3.972 373 HA ILE 46 HA ILE 46 -4.523 -12.120 -4.727 374 HB ILE 46 HB ILE 46 -5.760 -10.467 -3.317 375 HG12 ILE 46 2HG1 ILE 46 -2.983 -9.625 -2.446 376 HG13 ILE 46 1HG1 ILE 46 -4.091 -8.643 -3.398 377 HG21 ILE 46 1HG2 ILE 46 -5.203 -12.635 -2.420 378 HG22 ILE 46 2HG2 ILE 46 -5.039 -11.414 -1.157 379 HG23 ILE 46 3HG2 ILE 46 -3.602 -12.064 -1.948 380 HD11 ILE 46 3HD1 ILE 46 -5.654 -8.594 -1.523 381 HD12 ILE 46 1HD1 ILE 46 -4.073 -7.958 -1.069 382 HD13 ILE 46 2HD1 ILE 46 -4.546 -9.582 -0.574 383 HA PRO 47 HA PRO 47 -4.795 -9.582 -8.355 384 HB2 PRO 47 2HB PRO 47 -7.703 -10.139 -8.045 385 HB3 PRO 47 1HB PRO 47 -6.655 -10.362 -9.450 386 HG2 PRO 47 2HG PRO 47 -7.436 -12.456 -8.006 387 HG3 PRO 47 1HG PRO 47 -5.788 -12.363 -8.655 388 HD2 PRO 47 2HD PRO 47 -6.756 -11.909 -5.866 389 HD3 PRO 47 1HD PRO 47 -5.256 -12.670 -6.432 390 H VAL 48 H VAL 48 -5.427 -7.545 -8.958 391 HA VAL 48 HA VAL 48 -5.812 -5.574 -7.061 392 HB VAL 48 HB VAL 48 -6.520 -5.556 -9.999 393 HG11 VAL 48 1HG1 VAL 48 -7.785 -3.811 -8.827 394 HG12 VAL 48 2HG1 VAL 48 -6.543 -3.128 -9.876 395 HG13 VAL 48 3HG1 VAL 48 -6.285 -3.196 -8.134 396 HG21 VAL 48 3HG2 VAL 48 -4.166 -5.927 -9.520 397 HG22 VAL 48 1HG2 VAL 48 -4.135 -4.501 -8.484 398 HG23 VAL 48 2HG2 VAL 48 -4.409 -4.325 -10.216 399 H SER 49 H SER 49 -8.272 -7.225 -9.008 400 HA SER 49 HA SER 49 -10.476 -5.731 -8.040 401 HB2 SER 49 2HB SER 49 -10.517 -7.045 -10.138 402 HB3 SER 49 1HB SER 49 -10.425 -8.532 -9.198 403 HG SER 49 HG SER 49 -12.466 -8.317 -8.590 404 H LYS 50 H LYS 50 -8.560 -8.115 -6.589 405 HA LYS 50 HA LYS 50 -10.638 -8.973 -4.710 406 HB2 LYS 50 2HB LYS 50 -9.173 -10.660 -5.798 407 HB3 LYS 50 1HB LYS 50 -7.777 -9.911 -5.048 408 HG2 LYS 50 2HG LYS 50 -8.576 -10.541 -2.859 409 HG3 LYS 50 1HG LYS 50 -10.056 -11.203 -3.563 410 HD2 LYS 50 2HD LYS 50 -8.700 -12.819 -4.838 411 HD3 LYS 50 1HD LYS 50 -7.244 -12.179 -4.075 412 HE2 LYS 50 2HE LYS 50 -8.122 -12.843 -1.880 413 HE3 LYS 50 1HE LYS 50 -9.555 -13.507 -2.663 414 HZ1 LYS 50 3HZ LYS 50 -8.260 -15.156 -3.732 415 HZ2 LYS 50 1HZ LYS 50 -7.788 -15.162 -2.100 416 HZ3 LYS 50 2HZ LYS 50 -6.799 -14.429 -3.269 417 H GLN 51 H GLN 51 -8.400 -6.567 -5.046 418 HA GLN 51 HA GLN 51 -7.674 -6.424 -2.216 419 HB2 GLN 51 2HB GLN 51 -6.768 -4.748 -4.559 420 HB3 GLN 51 1HB GLN 51 -6.184 -4.587 -2.910 421 HG2 GLN 51 2HG GLN 51 -5.213 -6.793 -3.004 422 HG3 GLN 51 1HG GLN 51 -5.874 -7.036 -4.624 423 HE21 GLN 51 1HE2 GLN 51 -3.854 -7.325 -5.544 424 HE22 GLN 51 2HE2 GLN 51 -2.753 -6.006 -5.772 425 H THR 52 H THR 52 -9.456 -5.662 -1.171 426 HA THR 52 HA THR 52 -10.647 -3.164 -2.076 427 HB THR 52 HB THR 52 -11.307 -4.924 0.294 428 HG1 THR 52 HG1 THR 52 -13.010 -5.618 -0.998 429 HG21 THR 52 3HG2 THR 52 -11.925 -2.564 0.670 430 HG22 THR 52 1HG2 THR 52 -13.344 -3.601 0.501 431 HG23 THR 52 2HG2 THR 52 -12.834 -2.577 -0.841 432 H LEU 53 H LEU 53 -9.510 -1.396 -1.613 433 HA LEU 53 HA LEU 53 -7.628 -1.300 0.552 434 HB2 LEU 53 2HB LEU 53 -8.577 0.793 -1.402 435 HB3 LEU 53 1HB LEU 53 -7.374 1.104 -0.168 436 HG LEU 53 HG LEU 53 -7.091 -0.873 -2.429 437 HD11 LEU 53 1HD1 LEU 53 -5.402 0.712 -3.258 438 HD12 LEU 53 2HD1 LEU 53 -5.843 1.833 -1.970 439 HD13 LEU 53 3HD1 LEU 53 -7.018 1.415 -3.217 440 HD21 LEU 53 3HD2 LEU 53 -5.883 -1.595 -0.445 441 HD22 LEU 53 1HD2 LEU 53 -5.133 -0.005 -0.305 442 HD23 LEU 53 2HD2 LEU 53 -4.762 -1.037 -1.686 443 H ILE 54 H ILE 54 -8.275 -1.023 2.585 444 HA ILE 54 HA ILE 54 -10.528 0.777 3.121 445 HB ILE 54 HB ILE 54 -9.013 -0.963 5.079 446 HG12 ILE 54 2HG1 ILE 54 -11.708 -1.479 3.803 447 HG13 ILE 54 1HG1 ILE 54 -10.214 -2.272 3.317 448 HG21 ILE 54 1HG2 ILE 54 -11.653 0.473 5.332 449 HG22 ILE 54 2HG2 ILE 54 -10.133 0.971 6.078 450 HG23 ILE 54 3HG2 ILE 54 -10.900 -0.542 6.564 451 HD11 ILE 54 3HD1 ILE 54 -11.541 -3.692 4.768 452 HD12 ILE 54 1HD1 ILE 54 -11.511 -2.457 6.027 453 HD13 ILE 54 2HD1 ILE 54 -10.016 -3.254 5.541 454 H VAL 55 H VAL 55 -9.699 2.813 2.928 455 HA VAL 55 HA VAL 55 -7.270 3.450 4.457 456 HB VAL 55 HB VAL 55 -8.725 5.122 2.391 457 HG11 VAL 55 1HG1 VAL 55 -6.098 5.614 3.799 458 HG12 VAL 55 2HG1 VAL 55 -7.596 6.509 4.054 459 HG13 VAL 55 3HG1 VAL 55 -6.770 6.598 2.498 460 HG21 VAL 55 3HG2 VAL 55 -6.767 4.674 0.973 461 HG22 VAL 55 1HG2 VAL 55 -7.638 3.195 1.387 462 HG23 VAL 55 2HG2 VAL 55 -6.129 3.591 2.213 463 H ASP 56 H ASP 56 -7.516 4.294 6.391 464 HA ASP 56 HA ASP 56 -8.380 5.314 8.230 465 HB2 ASP 56 2HB ASP 56 -10.181 6.662 6.205 466 HB3 ASP 56 1HB ASP 56 -10.272 6.982 7.930 467 H GLY 57 H GLY 57 -11.348 5.080 6.349 468 HA2 GLY 57 2HA GLY 57 -12.113 2.560 7.494 469 HA3 GLY 57 1HA GLY 57 -13.017 3.919 8.159 470 H ILE 58 H ILE 58 -11.849 4.114 4.924 471 HA ILE 58 HA ILE 58 -14.598 3.737 3.924 472 HB ILE 58 HB ILE 58 -12.604 5.803 2.960 473 HG12 ILE 58 2HG1 ILE 58 -15.161 6.203 4.534 474 HG13 ILE 58 1HG1 ILE 58 -13.538 6.315 5.208 475 HG21 ILE 58 1HG2 ILE 58 -14.503 6.674 1.651 476 HG22 ILE 58 2HG2 ILE 58 -15.473 5.299 2.180 477 HG23 ILE 58 3HG2 ILE 58 -14.048 5.038 1.176 478 HD11 ILE 58 3HD1 ILE 58 -13.059 8.208 3.751 479 HD12 ILE 58 1HD1 ILE 58 -14.478 8.512 4.755 480 HD13 ILE 58 2HD1 ILE 58 -14.675 8.085 3.054 481 H VAL 59 H VAL 59 -14.820 2.532 2.119 482 HA VAL 59 HA VAL 59 -12.622 1.012 1.149 483 HB VAL 59 HB VAL 59 -14.795 -0.004 1.186 484 HG11 VAL 59 1HG1 VAL 59 -15.685 2.126 -0.755 485 HG12 VAL 59 2HG1 VAL 59 -16.188 1.977 0.929 486 HG13 VAL 59 3HG1 VAL 59 -16.641 0.736 -0.240 487 HG21 VAL 59 3HG2 VAL 59 -14.977 -0.832 -1.112 488 HG22 VAL 59 1HG2 VAL 59 -13.299 -0.760 -0.572 489 HG23 VAL 59 2HG2 VAL 59 -13.929 0.477 -1.660 490 H ILE 60 H ILE 60 -11.196 1.531 -0.338 491 HA ILE 60 HA ILE 60 -11.817 3.707 -2.221 492 HB ILE 60 HB ILE 60 -9.124 2.605 -1.403 493 HG12 ILE 60 2HG1 ILE 60 -10.210 3.864 0.397 494 HG13 ILE 60 1HG1 ILE 60 -8.833 4.753 -0.245 495 HG21 ILE 60 1HG2 ILE 60 -8.199 4.517 -2.632 496 HG22 ILE 60 2HG2 ILE 60 -9.823 4.946 -3.170 497 HG23 ILE 60 3HG2 ILE 60 -9.097 3.425 -3.689 498 HD11 ILE 60 3HD1 ILE 60 -10.712 6.223 0.197 499 HD12 ILE 60 1HD1 ILE 60 -11.728 5.275 -0.888 500 HD13 ILE 60 2HD1 ILE 60 -10.349 6.173 -1.527 501 H LEU 61 H LEU 61 -12.422 3.060 -4.148 502 HA LEU 61 HA LEU 61 -11.055 0.751 -5.382 503 HB2 LEU 61 2HB LEU 61 -13.989 1.459 -5.572 504 HB3 LEU 61 1HB LEU 61 -13.201 0.201 -6.503 505 HG LEU 61 HG LEU 61 -13.421 0.205 -3.491 506 HD11 LEU 61 1HD1 LEU 61 -15.112 -1.532 -3.805 507 HD12 LEU 61 2HD1 LEU 61 -15.014 -1.314 -5.553 508 HD13 LEU 61 3HD1 LEU 61 -15.616 -0.005 -4.535 509 HD21 LEU 61 3HD2 LEU 61 -12.527 -1.914 -5.446 510 HD22 LEU 61 1HD2 LEU 61 -12.730 -2.141 -3.709 511 HD23 LEU 61 2HD2 LEU 61 -11.497 -1.036 -4.315 512 H ARG 62 H ARG 62 -10.607 3.654 -5.538 513 HA ARG 62 HA ARG 62 -11.697 4.589 -8.017 514 HB2 ARG 62 2HB ARG 62 -9.647 5.675 -6.107 515 HB3 ARG 62 1HB ARG 62 -9.966 6.455 -7.650 516 HG2 ARG 62 2HG ARG 62 -12.018 5.947 -5.506 517 HG3 ARG 62 1HG ARG 62 -11.210 7.488 -5.813 518 HD2 ARG 62 2HD ARG 62 -12.143 7.515 -8.077 519 HD3 ARG 62 1HD ARG 62 -12.955 5.983 -7.759 520 HE ARG 62 HE ARG 62 -13.875 7.583 -5.781 521 HH11 ARG 62 1HH1 ARG 62 -13.713 7.924 -9.265 522 HH12 ARG 62 2HH1 ARG 62 -15.150 8.900 -9.359 523 HH21 ARG 62 1HH2 ARG 62 -15.734 8.878 -5.901 524 HH22 ARG 62 2HH2 ARG 62 -16.280 9.473 -7.445 525 H GLU 63 H GLU 63 -8.361 3.886 -6.979 526 HA GLU 63 HA GLU 63 -6.482 3.331 -8.097 527 HB2 GLU 63 2HB GLU 63 -8.582 2.071 -9.814 528 HB3 GLU 63 1HB GLU 63 -6.900 2.034 -10.323 529 HG2 GLU 63 2HG GLU 63 -7.474 -0.003 -9.167 530 HG3 GLU 63 1HG GLU 63 -6.294 0.915 -8.236 531 H ASP 64 H ASP 64 -8.159 5.827 -8.853 532 HA ASP 64 HA ASP 64 -6.704 6.478 -11.331 533 HB2 ASP 64 2HB ASP 64 -9.148 6.496 -11.579 534 HB3 ASP 64 1HB ASP 64 -9.285 7.641 -10.253 535 H LEU 65 H LEU 65 -6.432 6.846 -8.157 536 HA LEU 65 HA LEU 65 -5.644 9.678 -8.268 537 HB2 LEU 65 2HB LEU 65 -6.347 7.968 -5.880 538 HB3 LEU 65 1HB LEU 65 -5.837 9.643 -5.804 539 HG LEU 65 HG LEU 65 -8.354 8.656 -7.151 540 HD11 LEU 65 1HD1 LEU 65 -8.500 8.414 -4.745 541 HD12 LEU 65 2HD1 LEU 65 -9.511 9.752 -5.288 542 HD13 LEU 65 3HD1 LEU 65 -7.955 10.077 -4.524 543 HD21 LEU 65 3HD2 LEU 65 -7.351 11.450 -6.615 544 HD22 LEU 65 1HD2 LEU 65 -8.929 11.033 -7.286 545 HD23 LEU 65 2HD2 LEU 65 -7.460 10.668 -8.193 546 H THR 66 H THR 66 -3.612 10.271 -7.801 547 HA THR 66 HA THR 66 -1.565 8.256 -7.533 548 HB THR 66 HB THR 66 -1.056 11.206 -7.272 549 HG1 THR 66 HG1 THR 66 -1.024 11.227 -9.633 550 HG21 THR 66 3HG2 THR 66 0.955 10.647 -8.553 551 HG22 THR 66 1HG2 THR 66 0.416 8.974 -8.677 552 HG23 THR 66 2HG2 THR 66 0.831 9.652 -7.102 553 H VAL 67 H VAL 67 -0.024 8.206 -5.746 554 HA VAL 67 HA VAL 67 -1.131 8.347 -3.184 555 HB VAL 67 HB VAL 67 1.779 8.403 -4.013 556 HG11 VAL 67 1HG1 VAL 67 1.541 9.282 -1.748 557 HG12 VAL 67 2HG1 VAL 67 2.294 7.689 -1.729 558 HG13 VAL 67 3HG1 VAL 67 0.596 7.864 -1.288 559 HG21 VAL 67 3HG2 VAL 67 0.005 6.144 -3.083 560 HG22 VAL 67 1HG2 VAL 67 1.727 6.017 -3.444 561 HG23 VAL 67 2HG2 VAL 67 0.582 6.404 -4.729 562 H GLU 68 H GLU 68 0.926 10.667 -4.899 563 HA GLU 68 HA GLU 68 1.069 12.563 -2.797 564 HB2 GLU 68 2HB GLU 68 2.671 12.440 -4.655 565 HB3 GLU 68 1HB GLU 68 1.412 12.922 -5.778 566 HG2 GLU 68 2HG GLU 68 1.281 15.097 -4.783 567 HG3 GLU 68 1HG GLU 68 2.392 14.621 -3.499 568 H GLN 69 H GLN 69 -1.323 11.848 -5.161 569 HA GLN 69 HA GLN 69 -2.607 14.440 -5.038 570 HB2 GLN 69 2HB GLN 69 -3.268 11.868 -6.465 571 HB3 GLN 69 1HB GLN 69 -4.324 13.274 -6.503 572 HG2 GLN 69 2HG GLN 69 -1.449 13.360 -7.360 573 HG3 GLN 69 1HG GLN 69 -2.776 12.999 -8.462 574 HE21 GLN 69 1HE2 GLN 69 -4.211 14.605 -9.023 575 HE22 GLN 69 2HE2 GLN 69 -3.905 16.283 -8.718 576 H CYS 70 H CYS 70 -3.291 11.126 -3.977 577 HA CYS 70 HA CYS 70 -5.796 11.939 -2.765 578 HB2 CYS 70 2HB CYS 70 -5.507 9.747 -3.944 579 HB3 CYS 70 1HB CYS 70 -4.408 9.252 -2.662 580 HG CYS 70 HG CYS 70 -6.661 9.882 -0.767 581 H GLN 71 H GLN 71 -2.564 11.889 -1.885 582 HA GLN 71 HA GLN 71 -1.403 12.130 0.030 583 HB2 GLN 71 2HB GLN 71 -4.089 13.096 1.013 584 HB3 GLN 71 1HB GLN 71 -2.613 13.191 1.968 585 HG2 GLN 71 2HG GLN 71 -2.961 14.447 -0.742 586 HG3 GLN 71 1HG GLN 71 -3.202 15.291 0.788 587 HE21 GLN 71 1HE2 GLN 71 -1.271 15.722 -1.395 588 HE22 GLN 71 2HE2 GLN 71 0.287 15.666 -0.653 589 H ILE 72 H ILE 72 -1.219 9.788 -0.080 590 HA ILE 72 HA ILE 72 -2.831 8.222 1.733 591 HB ILE 72 HB ILE 72 -0.326 7.434 0.227 592 HG12 ILE 72 2HG1 ILE 72 -2.112 8.085 -1.309 593 HG13 ILE 72 1HG1 ILE 72 -1.869 6.342 -1.360 594 HG21 ILE 72 1HG2 ILE 72 -2.400 5.747 1.627 595 HG22 ILE 72 2HG2 ILE 72 -0.724 5.983 2.123 596 HG23 ILE 72 3HG2 ILE 72 -1.087 5.126 0.625 597 HD11 ILE 72 3HD1 ILE 72 -4.069 7.778 0.112 598 HD12 ILE 72 1HD1 ILE 72 -3.830 6.031 0.059 599 HD13 ILE 72 2HD1 ILE 72 -4.228 6.911 -1.417 600 H VAL 73 H VAL 73 -2.508 8.824 3.805 601 HA VAL 73 HA VAL 73 0.248 9.033 4.772 602 HB VAL 73 HB VAL 73 -0.793 10.058 6.826 603 HG11 VAL 73 1HG1 VAL 73 0.204 11.440 5.082 604 HG12 VAL 73 2HG1 VAL 73 -1.218 12.229 5.765 605 HG13 VAL 73 3HG1 VAL 73 -1.318 11.436 4.192 606 HG21 VAL 73 3HG2 VAL 73 -3.088 10.905 6.640 607 HG22 VAL 73 1HG2 VAL 73 -3.044 9.143 6.585 608 HG23 VAL 73 2HG2 VAL 73 -3.270 10.066 5.100 609 HA PRO 74 HA PRO 74 -0.145 5.050 6.618 610 HB2 PRO 74 2HB PRO 74 2.139 5.772 8.297 611 HB3 PRO 74 1HB PRO 74 2.034 4.567 7.012 612 HG2 PRO 74 2HG PRO 74 3.455 6.843 6.737 613 HG3 PRO 74 1HG PRO 74 2.631 6.068 5.372 614 HD2 PRO 74 2HD PRO 74 1.782 8.435 7.004 615 HD3 PRO 74 1HD PRO 74 1.690 8.186 5.246 616 H THR 75 H THR 75 -0.533 7.972 8.273 617 HA THR 75 HA THR 75 -0.792 6.943 10.926 618 HB THR 75 HB THR 75 -0.356 9.381 10.279 619 HG1 THR 75 HG1 THR 75 -2.522 9.002 12.104 620 HG21 THR 75 3HG2 THR 75 -2.156 9.651 8.651 621 HG22 THR 75 1HG2 THR 75 -2.340 10.797 9.977 622 HG23 THR 75 2HG2 THR 75 -3.354 9.357 9.909 623 H SER 76 H SER 76 -2.766 7.041 8.132 624 HA SER 76 HA SER 76 -5.237 6.535 9.552 625 HB2 SER 76 2HB SER 76 -4.608 6.493 6.589 626 HB3 SER 76 1HB SER 76 -6.219 6.399 7.300 627 HG SER 76 HG SER 76 -6.114 8.498 7.049 628 H ASP 77 H ASP 77 -6.160 4.572 9.836 629 HA ASP 77 HA ASP 77 -4.609 2.226 9.600 630 HB2 ASP 77 2HB ASP 77 -6.466 2.532 11.243 631 HB3 ASP 77 1HB ASP 77 -7.616 2.439 9.914 632 H ILE 78 H ILE 78 -3.948 1.663 7.625 633 HA ILE 78 HA ILE 78 -5.933 1.459 5.473 634 HB ILE 78 HB ILE 78 -2.913 1.433 5.278 635 HG12 ILE 78 2HG1 ILE 78 -4.882 3.608 4.519 636 HG13 ILE 78 1HG1 ILE 78 -3.864 3.627 5.956 637 HG21 ILE 78 1HG2 ILE 78 -3.295 1.655 2.857 638 HG22 ILE 78 2HG2 ILE 78 -5.030 1.502 3.128 639 HG23 ILE 78 3HG2 ILE 78 -3.960 0.151 3.498 640 HD11 ILE 78 3HD1 ILE 78 -1.876 3.655 4.544 641 HD12 ILE 78 1HD1 ILE 78 -2.939 5.021 4.203 642 HD13 ILE 78 2HD1 ILE 78 -2.898 3.640 3.107 643 H GLN 79 H GLN 79 -6.812 -0.493 5.414 644 HA GLN 79 HA GLN 79 -5.061 -2.821 5.851 645 HB2 GLN 79 2HB GLN 79 -6.645 -2.397 7.733 646 HB3 GLN 79 1HB GLN 79 -7.979 -2.607 6.607 647 HG2 GLN 79 2HG GLN 79 -7.349 -4.900 6.222 648 HG3 GLN 79 1HG GLN 79 -5.917 -4.707 7.233 649 HE21 GLN 79 1HE2 GLN 79 -6.166 -4.492 9.463 650 HE22 GLN 79 2HE2 GLN 79 -7.600 -5.009 10.276 651 H LEU 80 H LEU 80 -5.283 -4.541 4.501 652 HA LEU 80 HA LEU 80 -6.869 -4.145 2.094 653 HB2 LEU 80 2HB LEU 80 -4.855 -6.250 2.881 654 HB3 LEU 80 1HB LEU 80 -5.739 -6.273 1.368 655 HG LEU 80 HG LEU 80 -3.802 -4.131 2.239 656 HD11 LEU 80 1HD1 LEU 80 -2.398 -5.021 0.442 657 HD12 LEU 80 2HD1 LEU 80 -3.577 -6.303 0.161 658 HD13 LEU 80 3HD1 LEU 80 -2.701 -6.229 1.691 659 HD21 LEU 80 3HD2 LEU 80 -4.073 -3.282 -0.045 660 HD22 LEU 80 1HD2 LEU 80 -5.592 -3.230 0.851 661 HD23 LEU 80 2HD2 LEU 80 -5.316 -4.498 -0.345 662 H GLU 81 H GLU 81 -8.958 -4.734 2.242 663 HA GLU 81 HA GLU 81 -9.667 -7.130 3.725 664 HB2 GLU 81 2HB GLU 81 -11.194 -5.179 3.760 665 HB3 GLU 81 1HB GLU 81 -11.420 -5.341 2.024 666 HG2 GLU 81 2HG GLU 81 -12.368 -7.576 2.369 667 HG3 GLU 81 1HG GLU 81 -12.174 -7.375 4.109 668 H VAL 82 H VAL 82 -9.028 -8.933 2.780 669 HA VAL 82 HA VAL 82 -8.772 -9.164 -0.060 670 HB VAL 82 HB VAL 82 -7.135 -10.267 1.315 671 HG11 VAL 82 1HG1 VAL 82 -9.387 -11.908 2.458 672 HG12 VAL 82 2HG1 VAL 82 -8.478 -10.655 3.303 673 HG13 VAL 82 3HG1 VAL 82 -7.669 -12.134 2.787 674 HG21 VAL 82 3HG2 VAL 82 -8.889 -12.335 0.001 675 HG22 VAL 82 1HG2 VAL 82 -7.175 -12.505 0.379 676 HG23 VAL 82 2HG2 VAL 82 -7.701 -11.325 -0.821 677 H SER 83 H SER 83 -10.510 -9.345 -1.284 678 HA SER 83 HA SER 83 -12.968 -10.460 -0.309 679 HB2 SER 83 2HB SER 83 -12.838 -8.553 -1.930 680 HB3 SER 83 1HB SER 83 -12.233 -9.678 -3.143 681 HG SER 83 HG SER 83 -14.668 -10.179 -1.804 682 H SER 84 H SER 84 -12.901 -12.611 0.078 683 HA SER 84 HA SER 84 -11.416 -14.420 -1.586 684 HB2 SER 84 2HB SER 84 -13.407 -15.009 0.617 685 HB3 SER 84 1HB SER 84 -12.240 -16.144 -0.067 686 HG SER 84 HG SER 84 -11.483 -13.701 1.161 Start of MODEL 14 1 H1 MET 1 1H MET 1 11.797 13.863 16.448 2 H2 MET 1 2H MET 1 10.226 13.734 15.817 3 H3 MET 1 3H MET 1 11.180 15.087 15.449 4 HA MET 1 HA MET 1 12.700 13.776 14.191 5 HB2 MET 1 2HB MET 1 10.968 11.494 15.134 6 HB3 MET 1 1HB MET 1 12.025 11.355 13.740 7 HG2 MET 1 2HG MET 1 13.055 12.183 16.431 8 HG3 MET 1 1HG MET 1 12.881 10.490 15.976 9 HE1 MET 1 3HE MET 1 14.172 13.799 14.162 10 HE2 MET 1 1HE MET 1 15.910 13.486 14.197 11 HE3 MET 1 2HE MET 1 15.025 13.713 15.703 12 H GLY 2 H GLY 2 12.343 13.343 11.954 13 HA2 GLY 2 2HA GLY 2 11.024 13.127 10.027 14 HA3 GLY 2 1HA GLY 2 9.585 13.343 11.013 15 H HIS 3 H HIS 3 9.407 14.677 8.829 16 HA HIS 3 HA HIS 3 9.880 17.458 9.598 17 HB2 HIS 3 2HB HIS 3 10.553 16.295 6.883 18 HB3 HIS 3 1HB HIS 3 10.499 18.017 7.239 19 HD1 HIS 3 HD1 HIS 3 12.789 15.274 7.032 20 HD2 HIS 3 HD2 HIS 3 12.473 18.678 9.403 21 HE1 HIS 3 HE1 HIS 3 15.077 15.638 8.005 22 HE2 HIS 3 HE2 HIS 3 14.815 17.588 9.577 23 H HIS 4 H HIS 4 8.163 18.754 9.195 24 HA HIS 4 HA HIS 4 5.674 17.625 8.471 25 HB2 HIS 4 2HB HIS 4 6.573 20.502 8.676 26 HB3 HIS 4 1HB HIS 4 4.917 20.047 8.292 27 HD1 HIS 4 HD1 HIS 4 3.432 20.026 10.270 28 HD2 HIS 4 HD2 HIS 4 7.379 19.158 11.279 29 HE1 HIS 4 HE1 HIS 4 3.453 19.733 12.770 30 HE2 HIS 4 HE2 HIS 4 5.825 19.094 13.346 31 H HIS 5 H HIS 5 7.620 20.038 6.698 32 HA HIS 5 HA HIS 5 6.412 19.108 4.207 33 HB2 HIS 5 2HB HIS 5 8.202 21.439 4.881 34 HB3 HIS 5 1HB HIS 5 7.933 20.940 3.213 35 HD1 HIS 5 HD1 HIS 5 6.089 22.141 2.101 36 HD2 HIS 5 HD2 HIS 5 5.531 21.924 6.223 37 HE1 HIS 5 HE1 HIS 5 3.964 23.406 2.573 38 HE2 HIS 5 HE2 HIS 5 3.550 23.096 5.038 39 H HIS 6 H HIS 6 7.228 17.187 3.713 40 HA HIS 6 HA HIS 6 10.137 16.813 3.940 41 HB2 HIS 6 2HB HIS 6 9.489 14.315 3.854 42 HB3 HIS 6 1HB HIS 6 9.176 15.204 5.338 43 HD1 HIS 6 HD1 HIS 6 6.747 15.489 6.061 44 HD2 HIS 6 HD2 HIS 6 7.165 13.550 2.403 45 HE1 HIS 6 HE1 HIS 6 4.472 14.560 5.522 46 HE2 HIS 6 HE2 HIS 6 4.723 13.477 3.259 47 H HIS 7 H HIS 7 11.009 17.285 2.052 48 HA HIS 7 HA HIS 7 9.639 16.586 -0.416 49 HB2 HIS 7 2HB HIS 7 12.170 18.150 0.120 50 HB3 HIS 7 1HB HIS 7 11.552 17.813 -1.495 51 HD1 HIS 7 HD1 HIS 7 11.502 20.355 0.998 52 HD2 HIS 7 HD2 HIS 7 8.723 18.866 -1.716 53 HE1 HIS 7 HE1 HIS 7 9.735 22.132 0.786 54 HE2 HIS 7 HE2 HIS 7 7.982 21.134 -0.724 55 H HIS 8 H HIS 8 10.037 14.292 0.499 56 HA HIS 8 HA HIS 8 12.257 13.204 -1.056 57 HB2 HIS 8 2HB HIS 8 11.811 12.768 1.875 58 HB3 HIS 8 1HB HIS 8 12.458 11.454 0.902 59 HD1 HIS 8 HD1 HIS 8 14.889 11.611 0.167 60 HD2 HIS 8 HD2 HIS 8 13.545 15.018 2.144 61 HE1 HIS 8 HE1 HIS 8 16.949 12.970 0.657 62 HE2 HIS 8 HE2 HIS 8 16.103 15.087 1.739 63 H SER 9 H SER 9 11.210 12.069 -2.541 64 HA SER 9 HA SER 9 8.688 10.816 -2.072 65 HB2 SER 9 2HB SER 9 10.611 10.359 -4.364 66 HB3 SER 9 1HB SER 9 8.882 10.008 -4.348 67 HG SER 9 HG SER 9 10.126 12.560 -4.201 68 H HIS 10 H HIS 10 9.209 9.519 -0.222 69 HA HIS 10 HA HIS 10 9.902 6.828 -0.934 70 HB2 HIS 10 2HB HIS 10 12.157 7.678 -0.596 71 HB3 HIS 10 1HB HIS 10 11.698 8.388 0.945 72 HD1 HIS 10 HD1 HIS 10 12.098 4.941 -0.647 73 HD2 HIS 10 HD2 HIS 10 12.136 6.779 3.094 74 HE1 HIS 10 HE1 HIS 10 12.841 3.175 0.973 75 HE2 HIS 10 HE2 HIS 10 13.032 4.346 3.196 76 H MET 11 H MET 11 7.740 6.558 -0.245 77 HA MET 11 HA MET 11 7.375 6.806 2.663 78 HB2 MET 11 2HB MET 11 5.492 7.225 0.392 79 HB3 MET 11 1HB MET 11 4.850 6.586 1.901 80 HG2 MET 11 2HG MET 11 6.365 9.166 1.560 81 HG3 MET 11 1HG MET 11 4.628 8.995 1.820 82 HE1 MET 11 3HE MET 11 5.898 10.499 5.224 83 HE2 MET 11 1HE MET 11 4.786 10.703 3.872 84 HE3 MET 11 2HE MET 11 6.523 10.859 3.614 85 H LYS 12 H LYS 12 7.497 4.987 3.688 86 HA LYS 12 HA LYS 12 6.802 2.489 2.328 87 HB2 LYS 12 2HB LYS 12 8.037 2.857 5.066 88 HB3 LYS 12 1HB LYS 12 7.941 1.367 4.140 89 HG2 LYS 12 2HG LYS 12 9.453 2.322 2.466 90 HG3 LYS 12 1HG LYS 12 9.564 3.798 3.424 91 HD2 LYS 12 2HD LYS 12 10.355 1.063 4.429 92 HD3 LYS 12 1HD LYS 12 11.481 2.218 3.719 93 HE2 LYS 12 2HE LYS 12 11.711 2.493 6.046 94 HE3 LYS 12 1HE LYS 12 10.710 3.844 5.526 95 HZ1 LYS 12 3HZ LYS 12 9.601 1.327 6.653 96 HZ2 LYS 12 1HZ LYS 12 8.777 2.781 6.368 97 HZ3 LYS 12 2HZ LYS 12 9.947 2.699 7.590 98 H PHE 13 H PHE 13 4.560 2.417 2.398 99 HA PHE 13 HA PHE 13 3.270 2.982 4.961 100 HB2 PHE 13 2HB PHE 13 1.208 3.150 3.809 101 HB3 PHE 13 1HB PHE 13 2.387 3.955 2.786 102 HD1 PHE 13 HD1 PHE 13 3.469 2.381 0.939 103 HD2 PHE 13 HD2 PHE 13 -0.274 1.717 2.849 104 HE1 PHE 13 HE1 PHE 13 2.748 0.997 -0.961 105 HE2 PHE 13 HE2 PHE 13 -0.999 0.330 0.953 106 HZ PHE 13 HZ PHE 13 0.515 -0.033 -0.954 107 H LEU 14 H LEU 14 1.868 1.503 5.958 108 HA LEU 14 HA LEU 14 2.856 -1.211 5.694 109 HB2 LEU 14 2HB LEU 14 2.732 -0.082 7.902 110 HB3 LEU 14 1HB LEU 14 0.988 -0.020 7.740 111 HG LEU 14 HG LEU 14 0.957 -2.513 7.656 112 HD11 LEU 14 1HD1 LEU 14 2.945 -3.718 8.421 113 HD12 LEU 14 2HD1 LEU 14 3.864 -2.214 8.394 114 HD13 LEU 14 3HD1 LEU 14 3.233 -2.889 6.892 115 HD21 LEU 14 3HD2 LEU 14 1.345 -2.809 10.052 116 HD22 LEU 14 1HD2 LEU 14 0.475 -1.312 9.713 117 HD23 LEU 14 2HD2 LEU 14 2.195 -1.263 10.101 118 H VAL 15 H VAL 15 1.861 -2.433 4.230 119 HA VAL 15 HA VAL 15 -0.987 -2.178 3.738 120 HB VAL 15 HB VAL 15 0.837 -4.325 2.659 121 HG11 VAL 15 1HG1 VAL 15 -1.542 -4.686 2.321 122 HG12 VAL 15 2HG1 VAL 15 -0.749 -4.330 0.787 123 HG13 VAL 15 3HG1 VAL 15 -1.700 -3.085 1.599 124 HG21 VAL 15 3HG2 VAL 15 0.386 -1.563 1.534 125 HG22 VAL 15 1HG2 VAL 15 1.220 -2.878 0.706 126 HG23 VAL 15 2HG2 VAL 15 1.897 -2.197 2.185 127 H GLU 16 H GLU 16 -1.950 -2.803 5.678 128 HA GLU 16 HA GLU 16 -1.107 -5.266 6.940 129 HB2 GLU 16 2HB GLU 16 -1.608 -3.383 8.374 130 HB3 GLU 16 1HB GLU 16 -3.233 -3.264 7.711 131 HG2 GLU 16 2HG GLU 16 -3.917 -5.258 8.748 132 HG3 GLU 16 1HG GLU 16 -2.261 -5.729 9.119 133 H ASN 17 H ASN 17 -1.688 -6.936 5.637 134 HA ASN 17 HA ASN 17 -4.432 -7.336 4.852 135 HB2 ASN 17 2HB ASN 17 -2.461 -8.309 3.609 136 HB3 ASN 17 1HB ASN 17 -2.196 -9.380 4.979 137 HD21 ASN 17 1HD2 ASN 17 -2.715 -10.120 2.280 138 HD22 ASN 17 2HD2 ASN 17 -4.188 -11.030 2.274 139 H LEU 18 H LEU 18 -5.942 -7.787 6.327 140 HA LEU 18 HA LEU 18 -5.302 -8.266 9.019 141 HB2 LEU 18 2HB LEU 18 -7.377 -7.169 8.226 142 HB3 LEU 18 1HB LEU 18 -7.953 -8.726 7.657 143 HG LEU 18 HG LEU 18 -7.861 -9.564 10.002 144 HD11 LEU 18 1HD1 LEU 18 -6.197 -8.063 10.905 145 HD12 LEU 18 2HD1 LEU 18 -7.703 -7.899 11.810 146 HD13 LEU 18 3HD1 LEU 18 -7.251 -6.679 10.619 147 HD21 LEU 18 3HD2 LEU 18 -9.848 -8.355 10.758 148 HD22 LEU 18 1HD2 LEU 18 -9.948 -8.764 9.046 149 HD23 LEU 18 2HD2 LEU 18 -9.554 -7.116 9.537 150 H ASN 19 H ASN 19 -6.069 -10.472 6.406 151 HA ASN 19 HA ASN 19 -5.927 -12.706 8.319 152 HB2 ASN 19 2HB ASN 19 -7.333 -12.429 5.676 153 HB3 ASN 19 1HB ASN 19 -6.937 -14.018 6.328 154 HD21 ASN 19 1HD2 ASN 19 -8.929 -11.208 6.641 155 HD22 ASN 19 2HD2 ASN 19 -9.981 -11.838 7.863 156 H GLY 20 H GLY 20 -3.766 -11.137 6.972 157 HA2 GLY 20 2HA GLY 20 -2.272 -13.481 6.028 158 HA3 GLY 20 1HA GLY 20 -2.294 -12.030 5.032 159 H SER 21 H SER 21 -0.820 -10.504 5.412 160 HA SER 21 HA SER 21 0.453 -10.310 8.016 161 HB2 SER 21 2HB SER 21 1.777 -11.981 6.703 162 HB3 SER 21 1HB SER 21 2.065 -10.743 5.484 163 HG SER 21 HG SER 21 3.164 -11.054 8.014 164 H SER 22 H SER 22 1.210 -8.263 8.440 165 HA SER 22 HA SER 22 0.392 -6.192 6.614 166 HB2 SER 22 2HB SER 22 1.334 -4.694 8.476 167 HB3 SER 22 1HB SER 22 -0.065 -5.689 8.876 168 HG SER 22 HG SER 22 1.933 -5.610 10.329 169 H PHE 23 H PHE 23 1.655 -5.953 4.891 170 HA PHE 23 HA PHE 23 4.559 -6.189 5.202 171 HB2 PHE 23 2HB PHE 23 3.590 -7.623 3.499 172 HB3 PHE 23 1HB PHE 23 2.799 -6.245 2.743 173 HD1 PHE 23 HD1 PHE 23 6.181 -7.537 3.614 174 HD2 PHE 23 HD2 PHE 23 3.825 -5.166 0.978 175 HE1 PHE 23 HE1 PHE 23 8.138 -7.221 2.156 176 HE2 PHE 23 HE2 PHE 23 5.778 -4.845 -0.484 177 HZ PHE 23 HZ PHE 23 7.939 -5.872 0.105 178 H GLU 24 H GLU 24 5.743 -4.411 5.292 179 HA GLU 24 HA GLU 24 4.645 -1.832 4.669 180 HB2 GLU 24 2HB GLU 24 6.231 -2.222 6.543 181 HB3 GLU 24 1HB GLU 24 7.482 -2.615 5.371 182 HG2 GLU 24 2HG GLU 24 7.359 -0.368 4.464 183 HG3 GLU 24 1HG GLU 24 6.071 0.030 5.601 184 H LEU 25 H LEU 25 4.667 -0.892 2.722 185 HA LEU 25 HA LEU 25 6.506 -1.984 0.684 186 HB2 LEU 25 2HB LEU 25 3.897 -2.419 0.625 187 HB3 LEU 25 1HB LEU 25 3.854 -0.800 -0.039 188 HG LEU 25 HG LEU 25 5.514 -3.006 -1.252 189 HD11 LEU 25 1HD1 LEU 25 3.704 -3.309 -2.864 190 HD12 LEU 25 2HD1 LEU 25 2.704 -2.175 -1.958 191 HD13 LEU 25 3HD1 LEU 25 3.181 -3.708 -1.227 192 HD21 LEU 25 3HD2 LEU 25 4.481 -0.392 -2.350 193 HD22 LEU 25 1HD2 LEU 25 5.409 -1.594 -3.249 194 HD23 LEU 25 2HD2 LEU 25 6.147 -0.742 -1.893 195 H GLU 26 H GLU 26 7.644 -0.546 -0.523 196 HA GLU 26 HA GLU 26 7.523 2.248 0.268 197 HB2 GLU 26 2HB GLU 26 9.728 1.329 0.164 198 HB3 GLU 26 1HB GLU 26 9.445 0.669 -1.441 199 HG2 GLU 26 2HG GLU 26 9.246 3.005 -2.287 200 HG3 GLU 26 1HG GLU 26 9.734 3.569 -0.690 201 H VAL 27 H VAL 27 6.281 3.635 -0.798 202 HA VAL 27 HA VAL 27 6.013 3.268 -3.706 203 HB VAL 27 HB VAL 27 3.769 4.359 -3.558 204 HG11 VAL 27 1HG1 VAL 27 3.976 1.956 -3.833 205 HG12 VAL 27 2HG1 VAL 27 2.588 2.347 -2.818 206 HG13 VAL 27 3HG1 VAL 27 4.078 1.750 -2.086 207 HG21 VAL 27 3HG2 VAL 27 2.602 4.374 -1.404 208 HG22 VAL 27 1HG2 VAL 27 4.022 5.421 -1.371 209 HG23 VAL 27 2HG2 VAL 27 4.077 3.837 -0.601 210 H ASP 28 H ASP 28 5.622 5.200 -4.909 211 HA ASP 28 HA ASP 28 6.921 7.561 -3.713 212 HB2 ASP 28 2HB ASP 28 7.875 6.434 -5.804 213 HB3 ASP 28 1HB ASP 28 6.434 6.979 -6.648 214 H TYR 29 H TYR 29 5.902 9.620 -4.005 215 HA TYR 29 HA TYR 29 3.079 9.705 -4.001 216 HB2 TYR 29 2HB TYR 29 5.133 11.862 -4.536 217 HB3 TYR 29 1HB TYR 29 3.409 12.178 -4.401 218 HD1 TYR 29 HD2 TYR 29 6.355 10.912 -2.518 219 HD2 TYR 29 HD1 TYR 29 2.394 12.457 -2.300 220 HE1 TYR 29 HE2 TYR 29 6.590 11.163 -0.084 221 HE2 TYR 29 HE1 TYR 29 2.619 12.710 0.131 222 HH TYR 29 HH TYR 29 3.894 11.946 1.952 223 H ARG 30 H ARG 30 5.459 9.672 -6.448 224 HA ARG 30 HA ARG 30 4.006 10.673 -8.654 225 HB2 ARG 30 2HB ARG 30 6.512 10.273 -8.394 226 HB3 ARG 30 1HB ARG 30 6.175 8.581 -8.711 227 HG2 ARG 30 2HG ARG 30 5.193 9.259 -10.895 228 HG3 ARG 30 1HG ARG 30 5.753 10.902 -10.568 229 HD2 ARG 30 2HD ARG 30 7.405 8.415 -10.946 230 HD3 ARG 30 1HD ARG 30 7.426 9.892 -11.908 231 HE ARG 30 HE ARG 30 8.129 10.401 -9.189 232 HH11 ARG 30 1HH1 ARG 30 9.396 9.151 -12.203 233 HH12 ARG 30 2HH1 ARG 30 11.042 9.531 -11.815 234 HH21 ARG 30 1HH2 ARG 30 10.290 10.874 -8.656 235 HH22 ARG 30 2HH2 ARG 30 11.563 10.499 -9.793 236 H ASP 31 H ASP 31 3.975 7.606 -7.001 237 HA ASP 31 HA ASP 31 3.120 5.981 -9.170 238 HB2 ASP 31 2HB ASP 31 3.098 5.606 -6.186 239 HB3 ASP 31 1HB ASP 31 2.337 4.433 -7.250 240 H THR 32 H THR 32 1.174 5.497 -9.929 241 HA THR 32 HA THR 32 -1.158 6.911 -8.968 242 HB THR 32 HB THR 32 -1.252 4.738 -11.045 243 HG1 THR 32 HG1 THR 32 -0.558 7.352 -11.856 244 HG21 THR 32 3HG2 THR 32 -2.893 6.229 -12.075 245 HG22 THR 32 1HG2 THR 32 -2.580 7.442 -10.834 246 HG23 THR 32 2HG2 THR 32 -3.318 5.902 -10.395 247 H LEU 33 H LEU 33 -3.089 5.801 -8.204 248 HA LEU 33 HA LEU 33 -2.519 3.791 -6.316 249 HB2 LEU 33 2HB LEU 33 -5.172 4.699 -7.425 250 HB3 LEU 33 1HB LEU 33 -4.993 3.613 -6.059 251 HG LEU 33 HG LEU 33 -4.072 6.483 -6.184 252 HD11 LEU 33 1HD1 LEU 33 -6.253 5.151 -4.593 253 HD12 LEU 33 2HD1 LEU 33 -6.480 6.236 -5.965 254 HD13 LEU 33 3HD1 LEU 33 -5.766 6.842 -4.471 255 HD21 LEU 33 3HD2 LEU 33 -3.892 4.503 -3.913 256 HD22 LEU 33 1HD2 LEU 33 -3.441 6.207 -3.847 257 HD23 LEU 33 2HD2 LEU 33 -2.534 5.094 -4.871 258 H LEU 34 H LEU 34 -3.907 3.602 -9.561 259 HA LEU 34 HA LEU 34 -4.550 0.884 -9.579 260 HB2 LEU 34 2HB LEU 34 -5.151 2.455 -11.374 261 HB3 LEU 34 1HB LEU 34 -3.466 2.559 -11.847 262 HG LEU 34 HG LEU 34 -3.499 0.163 -12.449 263 HD11 LEU 34 1HD1 LEU 34 -5.629 -1.028 -12.568 264 HD12 LEU 34 2HD1 LEU 34 -6.443 0.343 -11.818 265 HD13 LEU 34 3HD1 LEU 34 -5.244 -0.573 -10.906 266 HD21 LEU 34 3HD2 LEU 34 -3.939 1.850 -14.152 267 HD22 LEU 34 1HD2 LEU 34 -5.659 1.817 -13.754 268 HD23 LEU 34 2HD2 LEU 34 -4.887 0.394 -14.451 269 H VAL 35 H VAL 35 -1.477 2.513 -9.876 270 HA VAL 35 HA VAL 35 -0.009 0.256 -10.821 271 HB VAL 35 HB VAL 35 1.035 2.747 -9.456 272 HG11 VAL 35 1HG1 VAL 35 3.148 2.216 -10.571 273 HG12 VAL 35 2HG1 VAL 35 2.437 0.737 -11.219 274 HG13 VAL 35 3HG1 VAL 35 2.655 0.921 -9.478 275 HG21 VAL 35 3HG2 VAL 35 1.467 3.566 -11.737 276 HG22 VAL 35 1HG2 VAL 35 -0.254 3.340 -11.419 277 HG23 VAL 35 2HG2 VAL 35 0.628 2.157 -12.384 278 H VAL 36 H VAL 36 -0.552 1.726 -7.618 279 HA VAL 36 HA VAL 36 1.239 -0.060 -6.300 280 HB VAL 36 HB VAL 36 0.620 2.146 -5.340 281 HG11 VAL 36 1HG1 VAL 36 -1.468 2.373 -4.079 282 HG12 VAL 36 2HG1 VAL 36 -2.007 0.814 -4.704 283 HG13 VAL 36 3HG1 VAL 36 -1.758 2.167 -5.806 284 HG21 VAL 36 3HG2 VAL 36 1.658 0.454 -3.956 285 HG22 VAL 36 1HG2 VAL 36 0.082 -0.242 -3.583 286 HG23 VAL 36 2HG2 VAL 36 0.488 1.377 -3.012 287 H LYS 37 H LYS 37 -2.181 -0.170 -7.091 288 HA LYS 37 HA LYS 37 -2.962 -2.385 -5.577 289 HB2 LYS 37 2HB LYS 37 -3.774 -1.582 -8.377 290 HB3 LYS 37 1HB LYS 37 -4.571 -2.847 -7.454 291 HG2 LYS 37 2HG LYS 37 -4.370 0.022 -6.560 292 HG3 LYS 37 1HG LYS 37 -5.741 -0.651 -7.445 293 HD2 LYS 37 2HD LYS 37 -4.746 -1.691 -4.792 294 HD3 LYS 37 1HD LYS 37 -6.075 -0.546 -4.977 295 HE2 LYS 37 2HE LYS 37 -6.006 -3.288 -6.227 296 HE3 LYS 37 1HE LYS 37 -6.795 -2.917 -4.695 297 HZ1 LYS 37 3HZ LYS 37 -7.476 -1.641 -7.300 298 HZ2 LYS 37 1HZ LYS 37 -8.286 -1.430 -5.825 299 HZ3 LYS 37 2HZ LYS 37 -8.332 -2.930 -6.597 300 H GLN 38 H GLN 38 -1.368 -2.190 -8.715 301 HA GLN 38 HA GLN 38 -1.198 -4.977 -9.181 302 HB2 GLN 38 2HB GLN 38 0.476 -2.704 -10.273 303 HB3 GLN 38 1HB GLN 38 0.440 -4.339 -10.921 304 HG2 GLN 38 2HG GLN 38 -1.817 -4.110 -11.613 305 HG3 GLN 38 1HG GLN 38 -2.001 -2.602 -10.721 306 HE21 GLN 38 1HE2 GLN 38 -2.445 -3.177 -13.548 307 HE22 GLN 38 2HE2 GLN 38 -1.419 -2.083 -14.421 308 H LYS 39 H LYS 39 0.909 -2.654 -7.572 309 HA LYS 39 HA LYS 39 3.151 -4.331 -7.233 310 HB2 LYS 39 2HB LYS 39 2.147 -2.053 -5.515 311 HB3 LYS 39 1HB LYS 39 3.697 -2.846 -5.289 312 HG2 LYS 39 2HG LYS 39 4.330 -2.145 -7.583 313 HG3 LYS 39 1HG LYS 39 2.816 -1.243 -7.679 314 HD2 LYS 39 2HD LYS 39 3.481 0.129 -5.789 315 HD3 LYS 39 1HD LYS 39 4.956 -0.818 -5.590 316 HE2 LYS 39 2HE LYS 39 5.622 -0.119 -7.893 317 HE3 LYS 39 1HE LYS 39 4.225 0.954 -7.914 318 HZ1 LYS 39 3HZ LYS 39 6.310 2.073 -7.287 319 HZ2 LYS 39 1HZ LYS 39 6.419 1.092 -5.909 320 HZ3 LYS 39 2HZ LYS 39 5.131 2.191 -6.082 321 H ILE 40 H ILE 40 0.406 -3.649 -5.087 322 HA ILE 40 HA ILE 40 1.186 -5.415 -3.025 323 HB ILE 40 HB ILE 40 -1.587 -4.418 -3.708 324 HG12 ILE 40 2HG1 ILE 40 0.451 -3.315 -1.760 325 HG13 ILE 40 1HG1 ILE 40 0.070 -2.612 -3.329 326 HG21 ILE 40 1HG2 ILE 40 -1.640 -6.350 -2.219 327 HG22 ILE 40 2HG2 ILE 40 -2.122 -4.883 -1.368 328 HG23 ILE 40 3HG2 ILE 40 -0.508 -5.551 -1.129 329 HD11 ILE 40 3HD1 ILE 40 -1.831 -2.908 -1.016 330 HD12 ILE 40 1HD1 ILE 40 -2.217 -2.203 -2.586 331 HD13 ILE 40 2HD1 ILE 40 -1.040 -1.419 -1.533 332 H GLU 41 H GLU 41 -0.734 -5.834 -5.937 333 HA GLU 41 HA GLU 41 -1.941 -8.288 -5.372 334 HB2 GLU 41 2HB GLU 41 -2.604 -6.963 -7.287 335 HB3 GLU 41 1HB GLU 41 -1.008 -7.132 -8.003 336 HG2 GLU 41 2HG GLU 41 -1.374 -9.511 -8.309 337 HG3 GLU 41 1HG GLU 41 -2.950 -9.382 -7.532 338 H ARG 42 H ARG 42 1.288 -7.519 -6.452 339 HA ARG 42 HA ARG 42 1.981 -10.246 -7.023 340 HB2 ARG 42 2HB ARG 42 3.027 -8.332 -8.190 341 HB3 ARG 42 1HB ARG 42 3.753 -7.821 -6.674 342 HG2 ARG 42 2HG ARG 42 5.052 -9.872 -6.581 343 HG3 ARG 42 1HG ARG 42 4.294 -10.429 -8.075 344 HD2 ARG 42 2HD ARG 42 5.230 -8.485 -9.254 345 HD3 ARG 42 1HD ARG 42 6.013 -7.973 -7.760 346 HE ARG 42 HE ARG 42 6.712 -10.648 -8.492 347 HH11 ARG 42 1HH1 ARG 42 7.393 -7.279 -9.151 348 HH12 ARG 42 2HH1 ARG 42 9.022 -7.571 -9.677 349 HH21 ARG 42 1HH2 ARG 42 8.848 -11.046 -9.209 350 HH22 ARG 42 2HH2 ARG 42 9.849 -9.720 -9.718 351 H SER 43 H SER 43 2.749 -7.930 -4.429 352 HA SER 43 HA SER 43 4.456 -9.712 -3.029 353 HB2 SER 43 2HB SER 43 3.051 -7.249 -1.978 354 HB3 SER 43 1HB SER 43 4.484 -8.015 -1.295 355 HG SER 43 HG SER 43 5.632 -7.454 -3.158 356 H GLN 44 H GLN 44 1.032 -8.888 -2.681 357 HA GLN 44 HA GLN 44 0.801 -10.577 -0.318 358 HB2 GLN 44 2HB GLN 44 -1.153 -8.795 -1.765 359 HB3 GLN 44 1HB GLN 44 -1.630 -9.846 -0.438 360 HG2 GLN 44 2HG GLN 44 0.520 -7.763 -0.206 361 HG3 GLN 44 1HG GLN 44 -1.177 -7.459 0.166 362 HE21 GLN 44 1HE2 GLN 44 1.165 -7.362 1.912 363 HE22 GLN 44 2HE2 GLN 44 0.829 -8.454 3.209 364 H HIS 45 H HIS 45 0.516 -10.866 -3.672 365 HA HIS 45 HA HIS 45 -0.095 -12.552 -5.055 366 HB2 HIS 45 2HB HIS 45 -0.157 -14.106 -2.468 367 HB3 HIS 45 1HB HIS 45 -0.415 -14.847 -4.045 368 HD1 HIS 45 HD1 HIS 45 1.639 -15.517 -5.332 369 HD2 HIS 45 HD2 HIS 45 2.491 -12.966 -2.155 370 HE1 HIS 45 HE1 HIS 45 4.146 -15.381 -5.221 371 HE2 HIS 45 HE2 HIS 45 4.649 -13.865 -3.275 372 H ILE 46 H ILE 46 -2.109 -10.810 -3.642 373 HA ILE 46 HA ILE 46 -4.465 -12.451 -4.280 374 HB ILE 46 HB ILE 46 -5.790 -10.767 -2.979 375 HG12 ILE 46 2HG1 ILE 46 -3.073 -9.876 -1.991 376 HG13 ILE 46 1HG1 ILE 46 -4.123 -8.938 -3.046 377 HG21 ILE 46 1HG2 ILE 46 -3.689 -12.290 -1.447 378 HG22 ILE 46 2HG2 ILE 46 -5.226 -12.927 -2.032 379 HG23 ILE 46 3HG2 ILE 46 -5.205 -11.679 -0.784 380 HD11 ILE 46 3HD1 ILE 46 -4.283 -8.153 -0.768 381 HD12 ILE 46 1HD1 ILE 46 -4.729 -9.770 -0.218 382 HD13 ILE 46 2HD1 ILE 46 -5.813 -8.867 -1.275 383 HA PRO 47 HA PRO 47 -4.766 -10.025 -7.935 384 HB2 PRO 47 2HB PRO 47 -7.447 -10.442 -8.415 385 HB3 PRO 47 1HB PRO 47 -6.162 -11.573 -8.845 386 HG2 PRO 47 2HG PRO 47 -7.989 -11.588 -6.483 387 HG3 PRO 47 1HG PRO 47 -7.427 -12.945 -7.477 388 HD2 PRO 47 2HD PRO 47 -6.373 -12.435 -5.064 389 HD3 PRO 47 1HD PRO 47 -5.382 -13.051 -6.401 390 H VAL 48 H VAL 48 -5.524 -8.075 -8.671 391 HA VAL 48 HA VAL 48 -6.106 -6.067 -6.839 392 HB VAL 48 HB VAL 48 -6.637 -6.115 -9.818 393 HG11 VAL 48 1HG1 VAL 48 -6.584 -3.671 -9.703 394 HG12 VAL 48 2HG1 VAL 48 -6.467 -3.760 -7.944 395 HG13 VAL 48 3HG1 VAL 48 -7.919 -4.336 -8.763 396 HG21 VAL 48 3HG2 VAL 48 -4.307 -6.514 -9.251 397 HG22 VAL 48 1HG2 VAL 48 -4.294 -5.081 -8.225 398 HG23 VAL 48 2HG2 VAL 48 -4.502 -4.915 -9.969 399 H SER 49 H SER 49 -8.277 -8.143 -8.644 400 HA SER 49 HA SER 49 -10.643 -6.629 -8.234 401 HB2 SER 49 2HB SER 49 -11.767 -8.807 -8.861 402 HB3 SER 49 1HB SER 49 -10.596 -8.200 -10.030 403 HG SER 49 HG SER 49 -10.613 -10.542 -8.702 404 H LYS 50 H LYS 50 -8.854 -8.788 -6.236 405 HA LYS 50 HA LYS 50 -11.099 -8.966 -4.336 406 HB2 LYS 50 2HB LYS 50 -8.680 -10.722 -4.751 407 HB3 LYS 50 1HB LYS 50 -9.686 -10.828 -3.314 408 HG2 LYS 50 2HG LYS 50 -11.594 -11.462 -4.630 409 HG3 LYS 50 1HG LYS 50 -10.694 -11.196 -6.126 410 HD2 LYS 50 2HD LYS 50 -9.218 -13.023 -5.627 411 HD3 LYS 50 1HD LYS 50 -9.922 -13.212 -4.019 412 HE2 LYS 50 2HE LYS 50 -11.456 -13.567 -6.589 413 HE3 LYS 50 1HE LYS 50 -10.706 -14.889 -5.697 414 HZ1 LYS 50 3HZ LYS 50 -13.037 -14.696 -5.138 415 HZ2 LYS 50 1HZ LYS 50 -12.833 -13.079 -4.675 416 HZ3 LYS 50 2HZ LYS 50 -12.088 -14.309 -3.785 417 H GLN 51 H GLN 51 -8.866 -6.916 -4.917 418 HA GLN 51 HA GLN 51 -7.502 -6.905 -2.329 419 HB2 GLN 51 2HB GLN 51 -6.411 -6.638 -4.722 420 HB3 GLN 51 1HB GLN 51 -6.907 -4.965 -4.519 421 HG2 GLN 51 2HG GLN 51 -5.630 -4.882 -2.412 422 HG3 GLN 51 1HG GLN 51 -5.079 -6.530 -2.721 423 HE21 GLN 51 1HE2 GLN 51 -3.738 -6.918 -4.528 424 HE22 GLN 51 2HE2 GLN 51 -2.792 -5.646 -5.223 425 H THR 52 H THR 52 -9.329 -6.199 -1.152 426 HA THR 52 HA THR 52 -10.576 -3.683 -1.810 427 HB THR 52 HB THR 52 -10.915 -5.326 0.705 428 HG1 THR 52 HG1 THR 52 -11.630 -6.699 -0.804 429 HG21 THR 52 3HG2 THR 52 -12.706 -3.271 -0.605 430 HG22 THR 52 1HG2 THR 52 -11.760 -3.027 0.864 431 HG23 THR 52 2HG2 THR 52 -13.084 -4.191 0.851 432 H LEU 53 H LEU 53 -9.280 -1.954 -1.538 433 HA LEU 53 HA LEU 53 -7.514 -1.699 0.730 434 HB2 LEU 53 2HB LEU 53 -8.269 0.187 -1.498 435 HB3 LEU 53 1HB LEU 53 -7.201 0.648 -0.189 436 HG LEU 53 HG LEU 53 -6.675 -1.555 -2.188 437 HD11 LEU 53 1HD1 LEU 53 -4.951 -0.061 -3.044 438 HD12 LEU 53 2HD1 LEU 53 -5.430 1.175 -1.880 439 HD13 LEU 53 3HD1 LEU 53 -6.543 0.689 -3.158 440 HD21 LEU 53 3HD2 LEU 53 -4.451 -1.645 -1.186 441 HD22 LEU 53 1HD2 LEU 53 -5.694 -2.016 0.009 442 HD23 LEU 53 2HD2 LEU 53 -4.927 -0.429 0.000 443 H ILE 54 H ILE 54 -8.443 -1.393 2.649 444 HA ILE 54 HA ILE 54 -10.640 0.542 2.869 445 HB ILE 54 HB ILE 54 -9.535 -1.336 4.969 446 HG12 ILE 54 2HG1 ILE 54 -12.067 -1.555 3.321 447 HG13 ILE 54 1HG1 ILE 54 -10.617 -2.525 3.083 448 HG21 ILE 54 1HG2 ILE 54 -10.569 0.642 5.930 449 HG22 ILE 54 2HG2 ILE 54 -11.573 -0.780 6.214 450 HG23 ILE 54 3HG2 ILE 54 -12.017 0.378 4.959 451 HD11 ILE 54 3HD1 ILE 54 -10.905 -3.508 5.289 452 HD12 ILE 54 1HD1 ILE 54 -12.337 -3.752 4.292 453 HD13 ILE 54 2HD1 ILE 54 -12.341 -2.518 5.553 454 H VAL 55 H VAL 55 -9.810 2.548 2.946 455 HA VAL 55 HA VAL 55 -7.512 3.017 4.728 456 HB VAL 55 HB VAL 55 -8.437 4.725 2.407 457 HG11 VAL 55 1HG1 VAL 55 -6.316 5.926 2.753 458 HG12 VAL 55 2HG1 VAL 55 -6.007 4.940 4.183 459 HG13 VAL 55 3HG1 VAL 55 -7.380 6.047 4.154 460 HG21 VAL 55 3HG2 VAL 55 -6.395 3.960 1.284 461 HG22 VAL 55 1HG2 VAL 55 -7.479 2.615 1.642 462 HG23 VAL 55 2HG2 VAL 55 -6.054 2.889 2.643 463 H ASP 56 H ASP 56 -8.349 3.537 6.645 464 HA ASP 56 HA ASP 56 -9.433 4.666 8.283 465 HB2 ASP 56 2HB ASP 56 -9.233 6.776 6.155 466 HB3 ASP 56 1HB ASP 56 -10.091 7.112 7.654 467 H GLY 57 H GLY 57 -10.972 3.059 6.334 468 HA2 GLY 57 2HA GLY 57 -13.249 2.439 6.688 469 HA3 GLY 57 1HA GLY 57 -13.610 4.114 7.075 470 H ILE 58 H ILE 58 -11.826 4.726 4.602 471 HA ILE 58 HA ILE 58 -14.054 4.777 2.734 472 HB ILE 58 HB ILE 58 -11.268 5.923 2.458 473 HG12 ILE 58 2HG1 ILE 58 -13.851 7.326 3.183 474 HG13 ILE 58 1HG1 ILE 58 -12.593 6.892 4.336 475 HG21 ILE 58 1HG2 ILE 58 -13.769 6.388 0.840 476 HG22 ILE 58 2HG2 ILE 58 -12.308 5.558 0.304 477 HG23 ILE 58 3HG2 ILE 58 -12.262 7.284 0.661 478 HD11 ILE 58 3HD1 ILE 58 -11.027 8.366 3.188 479 HD12 ILE 58 1HD1 ILE 58 -12.467 9.236 3.716 480 HD13 ILE 58 2HD1 ILE 58 -12.280 8.791 2.021 481 H VAL 59 H VAL 59 -14.272 3.399 1.072 482 HA VAL 59 HA VAL 59 -12.186 1.428 0.628 483 HB VAL 59 HB VAL 59 -14.449 0.579 0.774 484 HG11 VAL 59 1HG1 VAL 59 -15.087 2.337 -1.591 485 HG12 VAL 59 2HG1 VAL 59 -15.687 2.542 0.055 486 HG13 VAL 59 3HG1 VAL 59 -16.162 1.129 -0.886 487 HG21 VAL 59 3HG2 VAL 59 -13.419 0.424 -2.054 488 HG22 VAL 59 1HG2 VAL 59 -14.568 -0.690 -1.313 489 HG23 VAL 59 2HG2 VAL 59 -12.915 -0.594 -0.705 490 H ILE 60 H ILE 60 -10.700 1.627 -0.897 491 HA ILE 60 HA ILE 60 -10.785 3.894 -2.665 492 HB ILE 60 HB ILE 60 -8.720 1.691 -2.499 493 HG12 ILE 60 2HG1 ILE 60 -8.901 2.905 -0.393 494 HG13 ILE 60 1HG1 ILE 60 -7.407 3.344 -1.208 495 HG21 ILE 60 1HG2 ILE 60 -8.591 2.800 -4.633 496 HG22 ILE 60 2HG2 ILE 60 -7.246 3.339 -3.626 497 HG23 ILE 60 3HG2 ILE 60 -8.649 4.382 -3.857 498 HD11 ILE 60 3HD1 ILE 60 -8.437 5.426 -1.971 499 HD12 ILE 60 1HD1 ILE 60 -8.464 5.283 -0.214 500 HD13 ILE 60 2HD1 ILE 60 -9.931 4.983 -1.145 501 H LEU 61 H LEU 61 -12.538 3.455 -4.009 502 HA LEU 61 HA LEU 61 -12.162 1.293 -5.958 503 HB2 LEU 61 2HB LEU 61 -14.508 3.129 -5.462 504 HB3 LEU 61 1HB LEU 61 -14.454 1.912 -6.723 505 HG LEU 61 HG LEU 61 -14.350 1.373 -3.752 506 HD11 LEU 61 1HD1 LEU 61 -16.565 0.397 -4.081 507 HD12 LEU 61 2HD1 LEU 61 -16.536 0.893 -5.774 508 HD13 LEU 61 3HD1 LEU 61 -16.550 2.111 -4.497 509 HD21 LEU 61 3HD2 LEU 61 -14.425 -0.525 -6.097 510 HD22 LEU 61 1HD2 LEU 61 -14.560 -0.982 -4.399 511 HD23 LEU 61 2HD2 LEU 61 -13.064 -0.270 -5.004 512 H ARG 62 H ARG 62 -11.066 4.263 -5.565 513 HA ARG 62 HA ARG 62 -11.194 4.913 -8.433 514 HB2 ARG 62 2HB ARG 62 -10.783 6.784 -6.091 515 HB3 ARG 62 1HB ARG 62 -10.668 7.255 -7.780 516 HG2 ARG 62 2HG ARG 62 -13.157 6.076 -6.572 517 HG3 ARG 62 1HG ARG 62 -12.832 7.808 -6.628 518 HD2 ARG 62 2HD ARG 62 -14.239 7.195 -8.489 519 HD3 ARG 62 1HD ARG 62 -12.651 7.669 -9.083 520 HE ARG 62 HE ARG 62 -12.657 4.890 -8.765 521 HH11 ARG 62 1HH1 ARG 62 -14.336 7.289 -10.684 522 HH12 ARG 62 2HH1 ARG 62 -14.442 6.278 -12.093 523 HH21 ARG 62 1HH2 ARG 62 -12.812 3.542 -10.611 524 HH22 ARG 62 2HH2 ARG 62 -13.593 4.138 -12.047 525 H GLU 63 H GLU 63 -9.434 4.105 -9.316 526 HA GLU 63 HA GLU 63 -6.926 4.068 -7.778 527 HB2 GLU 63 2HB GLU 63 -7.681 2.507 -10.255 528 HB3 GLU 63 1HB GLU 63 -6.247 2.267 -9.263 529 HG2 GLU 63 2HG GLU 63 -7.517 1.425 -7.459 530 HG3 GLU 63 1HG GLU 63 -9.032 1.962 -8.182 531 H ASP 64 H ASP 64 -8.434 5.934 -9.929 532 HA ASP 64 HA ASP 64 -6.340 6.382 -11.851 533 HB2 ASP 64 2HB ASP 64 -7.821 8.246 -12.604 534 HB3 ASP 64 1HB ASP 64 -8.633 6.684 -12.553 535 H LEU 65 H LEU 65 -6.968 7.392 -8.697 536 HA LEU 65 HA LEU 65 -5.611 9.935 -8.892 537 HB2 LEU 65 2HB LEU 65 -6.636 8.341 -6.546 538 HB3 LEU 65 1HB LEU 65 -5.806 9.875 -6.375 539 HG LEU 65 HG LEU 65 -8.391 9.478 -7.878 540 HD11 LEU 65 1HD1 LEU 65 -8.724 9.150 -5.503 541 HD12 LEU 65 2HD1 LEU 65 -9.399 10.702 -5.999 542 HD13 LEU 65 3HD1 LEU 65 -7.854 10.643 -5.152 543 HD21 LEU 65 3HD2 LEU 65 -8.469 11.913 -7.934 544 HD22 LEU 65 1HD2 LEU 65 -7.018 11.316 -8.737 545 HD23 LEU 65 2HD2 LEU 65 -6.911 11.992 -7.111 546 H THR 66 H THR 66 -3.728 10.364 -7.441 547 HA THR 66 HA THR 66 -1.842 8.118 -7.605 548 HB THR 66 HB THR 66 -0.076 9.906 -7.543 549 HG1 THR 66 HG1 THR 66 -0.987 12.049 -8.197 550 HG21 THR 66 3HG2 THR 66 -0.387 10.608 -9.877 551 HG22 THR 66 1HG2 THR 66 -2.062 10.056 -9.815 552 HG23 THR 66 2HG2 THR 66 -0.744 8.895 -9.657 553 H VAL 67 H VAL 67 -0.060 8.206 -5.939 554 HA VAL 67 HA VAL 67 -1.047 8.202 -3.311 555 HB VAL 67 HB VAL 67 1.804 8.435 -4.296 556 HG11 VAL 67 1HG1 VAL 67 2.441 7.566 -2.072 557 HG12 VAL 67 2HG1 VAL 67 0.769 7.756 -1.548 558 HG13 VAL 67 3HG1 VAL 67 1.717 9.171 -1.999 559 HG21 VAL 67 3HG2 VAL 67 0.660 6.428 -5.067 560 HG22 VAL 67 1HG2 VAL 67 0.201 6.042 -3.410 561 HG23 VAL 67 2HG2 VAL 67 1.900 6.027 -3.878 562 H GLU 68 H GLU 68 0.458 10.683 -5.248 563 HA GLU 68 HA GLU 68 0.947 12.632 -3.303 564 HB2 GLU 68 2HB GLU 68 1.820 12.829 -5.546 565 HB3 GLU 68 1HB GLU 68 0.199 12.863 -6.219 566 HG2 GLU 68 2HG GLU 68 -0.202 15.017 -5.123 567 HG3 GLU 68 1HG GLU 68 1.442 14.985 -4.483 568 H GLN 69 H GLN 69 -1.997 11.735 -5.001 569 HA GLN 69 HA GLN 69 -3.452 14.050 -4.090 570 HB2 GLN 69 2HB GLN 69 -4.269 11.574 -5.602 571 HB3 GLN 69 1HB GLN 69 -5.402 12.842 -5.150 572 HG2 GLN 69 2HG GLN 69 -2.950 13.242 -6.843 573 HG3 GLN 69 1HG GLN 69 -4.594 13.056 -7.458 574 HE21 GLN 69 1HE2 GLN 69 -6.038 14.720 -7.257 575 HE22 GLN 69 2HE2 GLN 69 -5.584 16.317 -6.761 576 H CYS 70 H CYS 70 -3.528 10.563 -3.373 577 HA CYS 70 HA CYS 70 -5.621 10.971 -1.420 578 HB2 CYS 70 2HB CYS 70 -4.118 8.468 -2.195 579 HB3 CYS 70 1HB CYS 70 -5.524 8.529 -1.135 580 HG CYS 70 HG CYS 70 -6.556 7.602 -3.461 581 H GLN 71 H GLN 71 -2.290 11.218 -1.358 582 HA GLN 71 HA GLN 71 -0.760 11.451 0.301 583 HB2 GLN 71 2HB GLN 71 -3.230 11.825 2.003 584 HB3 GLN 71 1HB GLN 71 -1.591 12.207 2.508 585 HG2 GLN 71 2HG GLN 71 -1.430 13.896 0.764 586 HG3 GLN 71 1HG GLN 71 -3.056 13.493 0.213 587 HE21 GLN 71 1HE2 GLN 71 -4.823 14.114 1.438 588 HE22 GLN 71 2HE2 GLN 71 -4.712 15.288 2.701 589 H ILE 72 H ILE 72 -1.106 8.876 -0.347 590 HA ILE 72 HA ILE 72 -1.849 7.183 1.816 591 HB ILE 72 HB ILE 72 -0.139 6.553 -0.595 592 HG12 ILE 72 2HG1 ILE 72 -2.380 7.336 -1.208 593 HG13 ILE 72 1HG1 ILE 72 -2.208 5.617 -1.543 594 HG21 ILE 72 1HG2 ILE 72 -1.539 4.711 1.335 595 HG22 ILE 72 2HG2 ILE 72 0.204 4.932 1.172 596 HG23 ILE 72 3HG2 ILE 72 -0.722 4.214 -0.146 597 HD11 ILE 72 3HD1 ILE 72 -3.440 5.092 0.491 598 HD12 ILE 72 1HD1 ILE 72 -4.380 6.129 -0.582 599 HD13 ILE 72 2HD1 ILE 72 -3.598 6.813 0.843 600 H VAL 73 H VAL 73 -0.788 7.175 3.673 601 HA VAL 73 HA VAL 73 2.149 7.054 3.637 602 HB VAL 73 HB VAL 73 2.141 8.440 5.738 603 HG11 VAL 73 1HG1 VAL 73 2.778 9.395 3.585 604 HG12 VAL 73 2HG1 VAL 73 1.928 10.582 4.575 605 HG13 VAL 73 3HG1 VAL 73 1.089 9.778 3.248 606 HG21 VAL 73 3HG2 VAL 73 0.191 9.868 6.168 607 HG22 VAL 73 1HG2 VAL 73 -0.194 8.157 6.361 608 HG23 VAL 73 2HG2 VAL 73 -0.702 9.016 4.908 609 HA PRO 74 HA PRO 74 1.774 3.677 6.462 610 HB2 PRO 74 2HB PRO 74 3.695 4.190 8.333 611 HB3 PRO 74 1HB PRO 74 4.043 3.587 6.710 612 HG2 PRO 74 2HG PRO 74 4.193 6.379 7.768 613 HG3 PRO 74 1HG PRO 74 5.317 5.527 6.694 614 HD2 PRO 74 2HD PRO 74 3.526 7.309 5.764 615 HD3 PRO 74 1HD PRO 74 4.002 5.878 4.830 616 H THR 75 H THR 75 1.348 6.882 7.664 617 HA THR 75 HA THR 75 0.637 6.042 10.333 618 HB THR 75 HB THR 75 -0.028 8.600 10.401 619 HG1 THR 75 HG1 THR 75 0.488 9.631 8.626 620 HG21 THR 75 3HG2 THR 75 2.814 7.589 10.274 621 HG22 THR 75 1HG2 THR 75 1.768 7.580 11.692 622 HG23 THR 75 2HG2 THR 75 2.304 9.112 11.001 623 H SER 76 H SER 76 -1.016 6.644 7.360 624 HA SER 76 HA SER 76 -3.585 7.065 8.602 625 HB2 SER 76 2HB SER 76 -4.385 6.740 6.173 626 HB3 SER 76 1HB SER 76 -3.379 8.145 6.518 627 HG SER 76 HG SER 76 -2.239 5.713 5.640 628 H ASP 77 H ASP 77 -5.420 5.590 8.213 629 HA ASP 77 HA ASP 77 -4.641 2.912 8.940 630 HB2 ASP 77 2HB ASP 77 -6.517 3.860 10.093 631 HB3 ASP 77 1HB ASP 77 -7.332 4.238 8.577 632 H ILE 78 H ILE 78 -4.185 1.382 7.519 633 HA ILE 78 HA ILE 78 -5.705 1.255 5.011 634 HB ILE 78 HB ILE 78 -2.689 1.007 5.143 635 HG12 ILE 78 2HG1 ILE 78 -4.376 3.133 3.805 636 HG13 ILE 78 1HG1 ILE 78 -3.532 3.346 5.334 637 HG21 ILE 78 1HG2 ILE 78 -3.657 -0.498 3.505 638 HG22 ILE 78 2HG2 ILE 78 -2.833 0.831 2.688 639 HG23 ILE 78 3HG2 ILE 78 -4.592 0.825 2.808 640 HD11 ILE 78 3HD1 ILE 78 -2.241 2.778 2.678 641 HD12 ILE 78 1HD1 ILE 78 -1.400 3.014 4.209 642 HD13 ILE 78 2HD1 ILE 78 -2.308 4.343 3.488 643 H GLN 79 H GLN 79 -6.745 -0.636 5.289 644 HA GLN 79 HA GLN 79 -5.107 -2.975 6.007 645 HB2 GLN 79 2HB GLN 79 -7.946 -2.373 6.821 646 HB3 GLN 79 1HB GLN 79 -7.208 -3.958 6.987 647 HG2 GLN 79 2HG GLN 79 -5.453 -2.913 8.413 648 HG3 GLN 79 1HG GLN 79 -6.377 -1.413 8.349 649 HE21 GLN 79 1HE2 GLN 79 -5.666 -3.154 10.602 650 HE22 GLN 79 2HE2 GLN 79 -7.173 -3.555 11.363 651 H LEU 80 H LEU 80 -5.584 -4.916 5.004 652 HA LEU 80 HA LEU 80 -7.187 -4.689 2.551 653 HB2 LEU 80 2HB LEU 80 -4.902 -6.487 3.315 654 HB3 LEU 80 1HB LEU 80 -5.942 -6.844 1.953 655 HG LEU 80 HG LEU 80 -4.163 -4.430 2.264 656 HD11 LEU 80 1HD1 LEU 80 -2.997 -5.410 0.340 657 HD12 LEU 80 2HD1 LEU 80 -4.069 -6.809 0.414 658 HD13 LEU 80 3HD1 LEU 80 -2.963 -6.473 1.746 659 HD21 LEU 80 3HD2 LEU 80 -4.865 -3.862 -0.008 660 HD22 LEU 80 1HD2 LEU 80 -6.229 -3.838 1.111 661 HD23 LEU 80 2HD2 LEU 80 -6.014 -5.200 0.011 662 H GLU 81 H GLU 81 -9.128 -5.571 2.640 663 HA GLU 81 HA GLU 81 -9.456 -8.040 4.203 664 HB2 GLU 81 2HB GLU 81 -11.046 -6.205 4.759 665 HB3 GLU 81 1HB GLU 81 -11.622 -6.234 3.096 666 HG2 GLU 81 2HG GLU 81 -12.345 -8.554 3.391 667 HG3 GLU 81 1HG GLU 81 -11.784 -8.510 5.060 668 H VAL 82 H VAL 82 -9.236 -9.802 3.032 669 HA VAL 82 HA VAL 82 -9.272 -9.778 0.188 670 HB VAL 82 HB VAL 82 -9.378 -12.179 2.023 671 HG11 VAL 82 1HG1 VAL 82 -9.952 -12.710 -0.278 672 HG12 VAL 82 2HG1 VAL 82 -8.375 -13.380 0.139 673 HG13 VAL 82 3HG1 VAL 82 -8.480 -11.920 -0.844 674 HG21 VAL 82 3HG2 VAL 82 -6.947 -12.260 1.809 675 HG22 VAL 82 1HG2 VAL 82 -7.475 -10.762 2.575 676 HG23 VAL 82 2HG2 VAL 82 -6.973 -10.759 0.884 677 H SER 83 H SER 83 -11.060 -9.540 -0.930 678 HA SER 83 HA SER 83 -13.610 -10.344 0.148 679 HB2 SER 83 2HB SER 83 -14.363 -9.375 -2.153 680 HB3 SER 83 1HB SER 83 -13.735 -8.273 -0.925 681 HG SER 83 HG SER 83 -12.833 -7.982 -3.064 682 H SER 84 H SER 84 -14.963 -11.903 -0.700 683 HA SER 84 HA SER 84 -13.605 -13.974 -2.242 684 HB2 SER 84 2HB SER 84 -16.289 -14.072 -0.838 685 HB3 SER 84 1HB SER 84 -15.398 -15.445 -1.496 686 HG SER 84 HG SER 84 -14.591 -13.755 0.653 Start of MODEL 15 1 H1 MET 1 1H MET 1 9.934 28.981 -14.091 2 H2 MET 1 2H MET 1 10.748 29.219 -15.558 3 H3 MET 1 3H MET 1 11.563 29.450 -14.086 4 HA MET 1 HA MET 1 10.484 26.877 -15.079 5 HB2 MET 1 2HB MET 1 12.813 26.197 -15.352 6 HB3 MET 1 1HB MET 1 12.480 27.622 -16.324 7 HG2 MET 1 2HG MET 1 13.548 29.026 -14.634 8 HG3 MET 1 1HG MET 1 13.888 27.593 -13.665 9 HE1 MET 1 3HE MET 1 14.070 27.949 -17.600 10 HE2 MET 1 1HE MET 1 15.755 28.423 -17.809 11 HE3 MET 1 2HE MET 1 14.627 29.510 -16.997 12 H GLY 2 H GLY 2 10.983 25.067 -13.712 13 HA2 GLY 2 2HA GLY 2 11.656 25.819 -10.939 14 HA3 GLY 2 1HA GLY 2 10.166 24.946 -11.266 15 H HIS 3 H HIS 3 12.788 24.355 -9.819 16 HA HIS 3 HA HIS 3 13.112 21.661 -10.955 17 HB2 HIS 3 2HB HIS 3 15.313 23.528 -10.058 18 HB3 HIS 3 1HB HIS 3 15.543 21.788 -10.195 19 HD1 HIS 3 HD1 HIS 3 16.047 24.777 -12.046 20 HD2 HIS 3 HD2 HIS 3 14.809 20.921 -12.994 21 HE1 HIS 3 HE1 HIS 3 16.440 24.525 -14.517 22 HE2 HIS 3 HE2 HIS 3 15.453 22.279 -15.096 23 H HIS 4 H HIS 4 13.139 20.045 -9.478 24 HA HIS 4 HA HIS 4 12.847 20.853 -6.669 25 HB2 HIS 4 2HB HIS 4 12.063 18.311 -8.110 26 HB3 HIS 4 1HB HIS 4 11.988 18.494 -6.360 27 HD1 HIS 4 HD1 HIS 4 10.331 19.665 -9.527 28 HD2 HIS 4 HD2 HIS 4 9.850 20.008 -5.408 29 HE1 HIS 4 HE1 HIS 4 8.046 20.655 -9.188 30 HE2 HIS 4 HE2 HIS 4 7.840 21.001 -6.701 31 H HIS 5 H HIS 5 14.992 21.173 -6.230 32 HA HIS 5 HA HIS 5 17.034 19.300 -6.897 33 HB2 HIS 5 2HB HIS 5 17.494 21.699 -6.612 34 HB3 HIS 5 1HB HIS 5 17.041 21.591 -4.915 35 HD1 HIS 5 HD1 HIS 5 18.869 21.104 -3.310 36 HD2 HIS 5 HD2 HIS 5 19.912 20.153 -7.223 37 HE1 HIS 5 HE1 HIS 5 21.315 20.513 -3.240 38 HE2 HIS 5 HE2 HIS 5 21.962 20.134 -5.646 39 H HIS 6 H HIS 6 15.166 20.034 -3.998 40 HA HIS 6 HA HIS 6 16.359 17.732 -2.640 41 HB2 HIS 6 2HB HIS 6 16.088 19.816 -1.330 42 HB3 HIS 6 1HB HIS 6 14.350 19.748 -1.605 43 HD1 HIS 6 HD1 HIS 6 17.084 17.700 0.053 44 HD2 HIS 6 HD2 HIS 6 12.971 18.295 0.249 45 HE1 HIS 6 HE1 HIS 6 16.296 16.357 2.032 46 HE2 HIS 6 HE2 HIS 6 13.818 16.799 2.186 47 H HIS 7 H HIS 7 15.458 15.824 -2.894 48 HA HIS 7 HA HIS 7 12.726 15.708 -3.914 49 HB2 HIS 7 2HB HIS 7 14.947 13.672 -3.832 50 HB3 HIS 7 1HB HIS 7 13.300 13.265 -4.308 51 HD1 HIS 7 HD1 HIS 7 16.442 14.528 -5.629 52 HD2 HIS 7 HD2 HIS 7 12.420 14.778 -6.667 53 HE1 HIS 7 HE1 HIS 7 16.403 15.295 -8.025 54 HE2 HIS 7 HE2 HIS 7 13.961 15.553 -8.598 55 H HIS 8 H HIS 8 11.146 14.395 -3.021 56 HA HIS 8 HA HIS 8 11.627 13.366 -0.319 57 HB2 HIS 8 2HB HIS 8 10.761 15.754 -0.221 58 HB3 HIS 8 1HB HIS 8 9.281 15.168 -0.969 59 HD1 HIS 8 HD1 HIS 8 7.497 14.586 0.642 60 HD2 HIS 8 HD2 HIS 8 11.283 14.263 2.339 61 HE1 HIS 8 HE1 HIS 8 7.114 14.009 3.061 62 HE2 HIS 8 HE2 HIS 8 9.404 14.060 4.107 63 H SER 9 H SER 9 11.409 11.963 -2.682 64 HA SER 9 HA SER 9 8.656 10.932 -2.668 65 HB2 SER 9 2HB SER 9 10.686 10.779 -4.907 66 HB3 SER 9 1HB SER 9 9.004 10.248 -4.977 67 HG SER 9 HG SER 9 8.504 12.528 -4.418 68 H HIS 10 H HIS 10 8.980 9.485 -1.018 69 HA HIS 10 HA HIS 10 9.528 6.874 -1.774 70 HB2 HIS 10 2HB HIS 10 11.940 7.711 -1.639 71 HB3 HIS 10 1HB HIS 10 11.683 7.898 0.092 72 HD1 HIS 10 HD1 HIS 10 12.051 5.863 1.514 73 HD2 HIS 10 HD2 HIS 10 11.697 4.950 -2.533 74 HE1 HIS 10 HE1 HIS 10 12.594 3.413 1.313 75 HE2 HIS 10 HE2 HIS 10 12.233 2.848 -1.119 76 H MET 11 H MET 11 8.110 5.829 -0.526 77 HA MET 11 HA MET 11 7.883 6.596 2.291 78 HB2 MET 11 2HB MET 11 6.204 7.815 0.724 79 HB3 MET 11 1HB MET 11 5.415 6.250 0.610 80 HG2 MET 11 2HG MET 11 5.103 6.225 3.030 81 HG3 MET 11 1HG MET 11 5.895 7.794 3.149 82 HE1 MET 11 3HE MET 11 3.956 8.981 4.374 83 HE2 MET 11 1HE MET 11 3.095 7.444 4.468 84 HE3 MET 11 2HE MET 11 2.263 8.887 3.890 85 H LYS 12 H LYS 12 7.246 4.920 3.626 86 HA LYS 12 HA LYS 12 6.624 2.348 2.306 87 HB2 LYS 12 2HB LYS 12 8.014 2.748 4.963 88 HB3 LYS 12 1HB LYS 12 7.671 1.209 4.191 89 HG2 LYS 12 2HG LYS 12 9.196 1.845 2.345 90 HG3 LYS 12 1HG LYS 12 9.596 3.318 3.236 91 HD2 LYS 12 2HD LYS 12 10.037 0.478 4.150 92 HD3 LYS 12 1HD LYS 12 11.279 1.635 3.663 93 HE2 LYS 12 2HE LYS 12 10.906 2.981 5.562 94 HE3 LYS 12 1HE LYS 12 9.390 2.166 5.937 95 HZ1 LYS 12 3HZ LYS 12 10.632 0.163 6.468 96 HZ2 LYS 12 1HZ LYS 12 11.155 1.469 7.418 97 HZ3 LYS 12 2HZ LYS 12 12.095 0.951 6.109 98 H PHE 13 H PHE 13 4.899 1.199 3.142 99 HA PHE 13 HA PHE 13 3.663 2.163 5.588 100 HB2 PHE 13 2HB PHE 13 1.468 2.462 4.628 101 HB3 PHE 13 1HB PHE 13 2.609 3.481 3.764 102 HD1 PHE 13 HD1 PHE 13 3.747 1.970 1.695 103 HD2 PHE 13 HD2 PHE 13 -0.173 1.645 3.309 104 HE1 PHE 13 HE1 PHE 13 2.953 1.023 -0.431 105 HE2 PHE 13 HE2 PHE 13 -0.973 0.695 1.189 106 HZ PHE 13 HZ PHE 13 0.590 0.380 -0.683 107 H LEU 14 H LEU 14 2.708 0.610 6.738 108 HA LEU 14 HA LEU 14 3.025 -2.115 5.867 109 HB2 LEU 14 2HB LEU 14 3.494 -1.445 8.181 110 HB3 LEU 14 1HB LEU 14 1.827 -0.945 8.382 111 HG LEU 14 HG LEU 14 1.143 -3.325 7.985 112 HD11 LEU 14 1HD1 LEU 14 3.146 -4.069 6.808 113 HD12 LEU 14 2HD1 LEU 14 2.835 -5.060 8.234 114 HD13 LEU 14 3HD1 LEU 14 4.100 -3.832 8.272 115 HD21 LEU 14 3HD2 LEU 14 2.976 -2.792 10.317 116 HD22 LEU 14 1HD2 LEU 14 1.762 -4.068 10.226 117 HD23 LEU 14 2HD2 LEU 14 1.264 -2.377 10.220 118 H VAL 15 H VAL 15 1.565 -3.078 4.612 119 HA VAL 15 HA VAL 15 -1.233 -2.263 4.774 120 HB VAL 15 HB VAL 15 -1.541 -3.982 2.917 121 HG11 VAL 15 1HG1 VAL 15 0.262 -1.619 2.428 122 HG12 VAL 15 2HG1 VAL 15 -1.499 -1.591 2.508 123 HG13 VAL 15 3HG1 VAL 15 -0.689 -2.458 1.202 124 HG21 VAL 15 3HG2 VAL 15 0.512 -5.250 3.263 125 HG22 VAL 15 1HG2 VAL 15 1.471 -3.825 2.864 126 HG23 VAL 15 2HG2 VAL 15 0.457 -4.579 1.633 127 H GLU 16 H GLU 16 -2.524 -3.202 6.150 128 HA GLU 16 HA GLU 16 -1.715 -5.640 7.467 129 HB2 GLU 16 2HB GLU 16 -2.765 -3.675 8.648 130 HB3 GLU 16 1HB GLU 16 -4.274 -4.080 7.838 131 HG2 GLU 16 2HG GLU 16 -4.215 -4.943 10.110 132 HG3 GLU 16 1HG GLU 16 -4.301 -6.249 8.929 133 H ASN 17 H ASN 17 -1.867 -7.223 5.870 134 HA ASN 17 HA ASN 17 -4.339 -7.626 4.452 135 HB2 ASN 17 2HB ASN 17 -2.225 -8.202 3.366 136 HB3 ASN 17 1HB ASN 17 -1.880 -9.379 4.631 137 HD21 ASN 17 1HD2 ASN 17 -1.712 -10.939 2.933 138 HD22 ASN 17 2HD2 ASN 17 -3.142 -11.655 2.273 139 H LEU 18 H LEU 18 -6.029 -8.726 5.117 140 HA LEU 18 HA LEU 18 -6.151 -9.639 7.793 141 HB2 LEU 18 2HB LEU 18 -8.028 -8.626 6.470 142 HB3 LEU 18 1HB LEU 18 -8.157 -10.140 5.596 143 HG LEU 18 HG LEU 18 -8.708 -11.303 7.691 144 HD11 LEU 18 1HD1 LEU 18 -9.178 -9.999 9.710 145 HD12 LEU 18 2HD1 LEU 18 -8.603 -8.542 8.898 146 HD13 LEU 18 3HD1 LEU 18 -7.487 -9.867 9.227 147 HD21 LEU 18 3HD2 LEU 18 -10.494 -10.401 6.274 148 HD22 LEU 18 1HD2 LEU 18 -10.436 -8.886 7.175 149 HD23 LEU 18 2HD2 LEU 18 -10.938 -10.373 7.981 150 H ASN 19 H ASN 19 -5.639 -11.271 4.744 151 HA ASN 19 HA ASN 19 -5.227 -13.753 6.257 152 HB2 ASN 19 2HB ASN 19 -7.387 -13.923 5.075 153 HB3 ASN 19 1HB ASN 19 -6.556 -13.623 3.551 154 HD21 ASN 19 1HD2 ASN 19 -7.228 -15.602 2.741 155 HD22 ASN 19 2HD2 ASN 19 -6.532 -17.093 3.260 156 H GLY 20 H GLY 20 -3.039 -13.375 6.256 157 HA2 GLY 20 2HA GLY 20 -1.409 -14.531 4.469 158 HA3 GLY 20 1HA GLY 20 -1.630 -12.933 3.769 159 H SER 21 H SER 21 0.193 -11.853 4.133 160 HA SER 21 HA SER 21 1.264 -11.869 6.874 161 HB2 SER 21 2HB SER 21 2.752 -13.068 5.289 162 HB3 SER 21 1HB SER 21 2.839 -11.614 4.297 163 HG SER 21 HG SER 21 4.622 -11.597 5.604 164 H SER 22 H SER 22 1.575 -9.923 7.805 165 HA SER 22 HA SER 22 0.700 -7.537 6.493 166 HB2 SER 22 2HB SER 22 2.255 -7.695 9.079 167 HB3 SER 22 1HB SER 22 1.097 -6.462 8.583 168 HG SER 22 HG SER 22 -0.515 -7.695 9.211 169 H PHE 23 H PHE 23 1.944 -6.714 4.899 170 HA PHE 23 HA PHE 23 4.862 -6.972 5.157 171 HB2 PHE 23 2HB PHE 23 3.780 -8.142 3.241 172 HB3 PHE 23 1HB PHE 23 3.225 -6.585 2.643 173 HD1 PHE 23 HD1 PHE 23 6.293 -8.505 3.466 174 HD2 PHE 23 HD2 PHE 23 4.584 -5.301 1.240 175 HE1 PHE 23 HE1 PHE 23 8.399 -8.248 2.221 176 HE2 PHE 23 HE2 PHE 23 6.690 -5.043 -0.006 177 HZ PHE 23 HZ PHE 23 8.601 -6.518 0.482 178 H GLU 24 H GLU 24 6.161 -5.238 5.055 179 HA GLU 24 HA GLU 24 4.932 -2.599 4.995 180 HB2 GLU 24 2HB GLU 24 6.622 -3.202 6.722 181 HB3 GLU 24 1HB GLU 24 7.814 -3.412 5.447 182 HG2 GLU 24 2HG GLU 24 7.616 -1.051 4.871 183 HG3 GLU 24 1HG GLU 24 6.413 -0.841 6.145 184 H LEU 25 H LEU 25 4.455 -2.026 2.951 185 HA LEU 25 HA LEU 25 6.176 -2.952 0.792 186 HB2 LEU 25 2HB LEU 25 3.689 -3.287 0.797 187 HB3 LEU 25 1HB LEU 25 3.511 -1.554 0.617 188 HG LEU 25 HG LEU 25 5.212 -2.881 -1.408 189 HD11 LEU 25 1HD1 LEU 25 3.257 -3.655 -2.675 190 HD12 LEU 25 2HD1 LEU 25 2.227 -3.281 -1.291 191 HD13 LEU 25 3HD1 LEU 25 3.457 -4.539 -1.161 192 HD21 LEU 25 3HD2 LEU 25 4.030 -1.345 -2.880 193 HD22 LEU 25 1HD2 LEU 25 4.679 -0.491 -1.480 194 HD23 LEU 25 2HD2 LEU 25 2.960 -0.881 -1.556 195 H GLU 26 H GLU 26 7.117 -1.643 -0.729 196 HA GLU 26 HA GLU 26 7.684 1.067 0.176 197 HB2 GLU 26 2HB GLU 26 9.579 -0.321 -0.411 198 HB3 GLU 26 1HB GLU 26 8.896 -0.648 -1.996 199 HG2 GLU 26 2HG GLU 26 9.122 1.740 -2.555 200 HG3 GLU 26 1HG GLU 26 9.889 2.009 -0.989 201 H VAL 27 H VAL 27 6.544 2.710 -0.565 202 HA VAL 27 HA VAL 27 5.441 2.538 -3.293 203 HB VAL 27 HB VAL 27 3.735 2.306 -1.415 204 HG11 VAL 27 1HG1 VAL 27 2.996 4.367 -0.321 205 HG12 VAL 27 2HG1 VAL 27 4.366 5.224 -1.028 206 HG13 VAL 27 3HG1 VAL 27 4.642 3.926 0.133 207 HG21 VAL 27 3HG2 VAL 27 3.001 2.831 -3.628 208 HG22 VAL 27 1HG2 VAL 27 3.450 4.528 -3.428 209 HG23 VAL 27 2HG2 VAL 27 2.114 3.851 -2.496 210 H ASP 28 H ASP 28 5.080 4.666 -4.291 211 HA ASP 28 HA ASP 28 6.919 6.714 -3.231 212 HB2 ASP 28 2HB ASP 28 7.454 5.560 -5.482 213 HB3 ASP 28 1HB ASP 28 6.091 6.471 -6.120 214 H TYR 29 H TYR 29 6.239 8.925 -3.550 215 HA TYR 29 HA TYR 29 3.461 9.365 -3.112 216 HB2 TYR 29 2HB TYR 29 5.729 11.268 -3.731 217 HB3 TYR 29 1HB TYR 29 4.091 11.794 -3.366 218 HD1 TYR 29 HD2 TYR 29 6.800 9.657 -1.905 219 HD2 TYR 29 HD1 TYR 29 3.579 12.346 -1.193 220 HE1 TYR 29 HE2 TYR 29 7.328 9.648 0.497 221 HE2 TYR 29 HE1 TYR 29 4.103 12.347 1.209 222 HH TYR 29 HH TYR 29 7.008 10.931 2.456 223 H ARG 30 H ARG 30 5.541 9.241 -5.856 224 HA ARG 30 HA ARG 30 3.666 10.544 -7.641 225 HB2 ARG 30 2HB ARG 30 6.197 10.707 -7.780 226 HB3 ARG 30 1HB ARG 30 6.195 9.042 -8.337 227 HG2 ARG 30 2HG ARG 30 4.454 10.914 -9.813 228 HG3 ARG 30 1HG ARG 30 6.194 11.152 -9.980 229 HD2 ARG 30 2HD ARG 30 6.476 8.869 -10.719 230 HD3 ARG 30 1HD ARG 30 4.768 8.533 -10.438 231 HE ARG 30 HE ARG 30 4.824 10.652 -12.193 232 HH11 ARG 30 1HH1 ARG 30 6.029 7.360 -12.177 233 HH12 ARG 30 2HH1 ARG 30 5.878 7.165 -13.897 234 HH21 ARG 30 1HH2 ARG 30 4.640 10.414 -14.429 235 HH22 ARG 30 2HH2 ARG 30 5.107 8.923 -15.189 236 H ASP 31 H ASP 31 3.865 7.533 -6.258 237 HA ASP 31 HA ASP 31 3.200 5.892 -8.503 238 HB2 ASP 31 2HB ASP 31 3.253 5.476 -5.546 239 HB3 ASP 31 1HB ASP 31 2.330 4.350 -6.535 240 H THR 32 H THR 32 1.268 5.115 -9.166 241 HA THR 32 HA THR 32 -1.093 6.634 -8.407 242 HB THR 32 HB THR 32 -0.996 4.424 -10.456 243 HG1 THR 32 HG1 THR 32 -0.125 5.809 -11.923 244 HG21 THR 32 3HG2 THR 32 -3.186 5.371 -9.914 245 HG22 THR 32 1HG2 THR 32 -2.709 5.791 -11.559 246 HG23 THR 32 2HG2 THR 32 -2.580 6.989 -10.271 247 H LEU 33 H LEU 33 -3.079 5.549 -7.758 248 HA LEU 33 HA LEU 33 -2.697 3.556 -5.815 249 HB2 LEU 33 2HB LEU 33 -5.219 4.469 -7.194 250 HB3 LEU 33 1HB LEU 33 -5.189 3.411 -5.793 251 HG LEU 33 HG LEU 33 -4.209 6.270 -5.891 252 HD11 LEU 33 1HD1 LEU 33 -6.061 6.691 -4.355 253 HD12 LEU 33 2HD1 LEU 33 -6.566 5.007 -4.502 254 HD13 LEU 33 3HD1 LEU 33 -6.633 6.076 -5.904 255 HD21 LEU 33 3HD2 LEU 33 -2.838 4.902 -4.397 256 HD22 LEU 33 1HD2 LEU 33 -4.295 4.330 -3.582 257 HD23 LEU 33 2HD2 LEU 33 -3.843 6.032 -3.491 258 H LEU 34 H LEU 34 -3.716 3.340 -9.187 259 HA LEU 34 HA LEU 34 -4.328 0.589 -9.198 260 HB2 LEU 34 2HB LEU 34 -4.940 2.144 -11.009 261 HB3 LEU 34 1HB LEU 34 -3.249 2.296 -11.444 262 HG LEU 34 HG LEU 34 -3.209 -0.123 -12.004 263 HD11 LEU 34 1HD1 LEU 34 -6.171 0.056 -11.484 264 HD12 LEU 34 2HD1 LEU 34 -4.999 -0.903 -10.579 265 HD13 LEU 34 3HD1 LEU 34 -5.353 -1.300 -12.260 266 HD21 LEU 34 3HD2 LEU 34 -3.552 1.530 -13.746 267 HD22 LEU 34 1HD2 LEU 34 -5.288 1.526 -13.435 268 HD23 LEU 34 2HD2 LEU 34 -4.503 0.082 -14.077 269 H VAL 35 H VAL 35 -1.315 2.302 -9.199 270 HA VAL 35 HA VAL 35 0.271 0.133 -10.195 271 HB VAL 35 HB VAL 35 1.132 2.610 -8.686 272 HG11 VAL 35 1HG1 VAL 35 2.798 0.834 -8.532 273 HG12 VAL 35 2HG1 VAL 35 3.364 2.139 -9.574 274 HG13 VAL 35 3HG1 VAL 35 2.768 0.639 -10.285 275 HG21 VAL 35 3HG2 VAL 35 0.033 3.134 -10.795 276 HG22 VAL 35 1HG2 VAL 35 1.106 2.019 -11.643 277 HG23 VAL 35 2HG2 VAL 35 1.762 3.471 -10.887 278 H VAL 36 H VAL 36 -0.423 1.475 -6.972 279 HA VAL 36 HA VAL 36 1.273 -0.341 -5.606 280 HB VAL 36 HB VAL 36 0.503 1.802 -4.611 281 HG11 VAL 36 1HG1 VAL 36 -1.695 1.885 -3.505 282 HG12 VAL 36 2HG1 VAL 36 -2.122 0.358 -4.278 283 HG13 VAL 36 3HG1 VAL 36 -1.823 1.790 -5.261 284 HG21 VAL 36 3HG2 VAL 36 -0.094 -0.669 -2.989 285 HG22 VAL 36 1HG2 VAL 36 0.218 0.939 -2.334 286 HG23 VAL 36 2HG2 VAL 36 1.486 0.083 -3.210 287 H LYS 37 H LYS 37 -2.074 -0.490 -6.652 288 HA LYS 37 HA LYS 37 -2.930 -2.780 -5.335 289 HB2 LYS 37 2HB LYS 37 -3.490 -1.747 -8.111 290 HB3 LYS 37 1HB LYS 37 -4.244 -3.207 -7.498 291 HG2 LYS 37 2HG LYS 37 -4.473 -0.506 -6.192 292 HG3 LYS 37 1HG LYS 37 -5.658 -1.185 -7.311 293 HD2 LYS 37 2HD LYS 37 -5.817 -3.161 -5.743 294 HD3 LYS 37 1HD LYS 37 -4.874 -2.213 -4.592 295 HE2 LYS 37 2HE LYS 37 -7.216 -1.972 -4.082 296 HE3 LYS 37 1HE LYS 37 -6.599 -0.442 -4.700 297 HZ1 LYS 37 3HZ LYS 37 -7.541 -0.961 -6.861 298 HZ2 LYS 37 1HZ LYS 37 -8.744 -0.980 -5.664 299 HZ3 LYS 37 2HZ LYS 37 -8.134 -2.438 -6.270 300 H GLN 38 H GLN 38 -1.078 -2.476 -8.334 301 HA GLN 38 HA GLN 38 -0.879 -5.240 -8.875 302 HB2 GLN 38 2HB GLN 38 0.910 -2.965 -9.746 303 HB3 GLN 38 1HB GLN 38 0.929 -4.586 -10.431 304 HG2 GLN 38 2HG GLN 38 -1.347 -4.308 -11.219 305 HG3 GLN 38 1HG GLN 38 -1.426 -2.711 -10.477 306 HE21 GLN 38 1HE2 GLN 38 -0.368 -1.004 -11.434 307 HE22 GLN 38 2HE2 GLN 38 0.294 -1.079 -13.037 308 H LYS 39 H LYS 39 1.104 -3.016 -7.006 309 HA LYS 39 HA LYS 39 3.305 -4.724 -6.581 310 HB2 LYS 39 2HB LYS 39 2.204 -2.445 -4.934 311 HB3 LYS 39 1HB LYS 39 3.687 -3.294 -4.521 312 HG2 LYS 39 2HG LYS 39 4.635 -2.637 -6.700 313 HG3 LYS 39 1HG LYS 39 3.161 -1.728 -7.038 314 HD2 LYS 39 2HD LYS 39 3.574 -0.239 -5.213 315 HD3 LYS 39 1HD LYS 39 4.907 -1.238 -4.630 316 HE2 LYS 39 2HE LYS 39 6.155 -0.742 -6.688 317 HE3 LYS 39 1HE LYS 39 4.828 0.277 -7.242 318 HZ1 LYS 39 3HZ LYS 39 6.262 0.776 -4.693 319 HZ2 LYS 39 1HZ LYS 39 5.234 1.828 -5.537 320 HZ3 LYS 39 2HZ LYS 39 6.761 1.450 -6.165 321 H ILE 40 H ILE 40 0.415 -4.132 -4.578 322 HA ILE 40 HA ILE 40 1.083 -6.072 -2.615 323 HB ILE 40 HB ILE 40 -1.653 -4.989 -3.316 324 HG12 ILE 40 2HG1 ILE 40 0.348 -4.020 -1.259 325 HG13 ILE 40 1HG1 ILE 40 -0.007 -3.219 -2.786 326 HG21 ILE 40 1HG2 ILE 40 -1.720 -7.024 -1.952 327 HG22 ILE 40 2HG2 ILE 40 -2.269 -5.615 -1.047 328 HG23 ILE 40 3HG2 ILE 40 -0.652 -6.263 -0.773 329 HD11 ILE 40 3HD1 ILE 40 -1.940 -3.641 -0.518 330 HD12 ILE 40 1HD1 ILE 40 -2.310 -2.853 -2.052 331 HD13 ILE 40 2HD1 ILE 40 -1.142 -2.128 -0.948 332 H GLU 41 H GLU 41 -0.630 -6.179 -5.653 333 HA GLU 41 HA GLU 41 -1.812 -8.727 -5.411 334 HB2 GLU 41 2HB GLU 41 -2.369 -6.998 -7.148 335 HB3 GLU 41 1HB GLU 41 -0.852 -7.381 -7.947 336 HG2 GLU 41 2HG GLU 41 -1.618 -9.672 -8.297 337 HG3 GLU 41 1HG GLU 41 -3.143 -9.283 -7.501 338 H ARG 42 H ARG 42 1.420 -7.672 -6.142 339 HA ARG 42 HA ARG 42 2.319 -10.252 -7.062 340 HB2 ARG 42 2HB ARG 42 3.392 -8.135 -7.790 341 HB3 ARG 42 1HB ARG 42 3.939 -7.870 -6.140 342 HG2 ARG 42 2HG ARG 42 5.118 -10.118 -6.341 343 HG3 ARG 42 1HG ARG 42 4.797 -10.002 -8.069 344 HD2 ARG 42 2HD ARG 42 6.399 -8.088 -6.383 345 HD3 ARG 42 1HD ARG 42 7.011 -9.181 -7.624 346 HE ARG 42 HE ARG 42 5.461 -6.723 -8.074 347 HH11 ARG 42 1HH1 ARG 42 7.303 -9.416 -9.355 348 HH12 ARG 42 2HH1 ARG 42 7.569 -8.665 -10.902 349 HH21 ARG 42 1HH2 ARG 42 5.787 -5.738 -10.112 350 HH22 ARG 42 2HH2 ARG 42 6.700 -6.572 -11.338 351 H SER 43 H SER 43 2.481 -8.371 -4.078 352 HA SER 43 HA SER 43 4.245 -10.175 -2.756 353 HB2 SER 43 2HB SER 43 2.489 -7.999 -1.604 354 HB3 SER 43 1HB SER 43 3.829 -8.793 -0.774 355 HG SER 43 HG SER 43 4.312 -7.591 -3.262 356 H GLN 44 H GLN 44 0.737 -9.575 -2.493 357 HA GLN 44 HA GLN 44 0.550 -11.845 -0.632 358 HB2 GLN 44 2HB GLN 44 -1.547 -9.774 -1.309 359 HB3 GLN 44 1HB GLN 44 -1.633 -10.968 -0.022 360 HG2 GLN 44 2HG GLN 44 0.390 -8.744 -0.181 361 HG3 GLN 44 1HG GLN 44 -1.082 -8.710 0.786 362 HE21 GLN 44 1HE2 GLN 44 1.743 -8.543 1.565 363 HE22 GLN 44 2HE2 GLN 44 1.977 -9.801 2.726 364 H HIS 45 H HIS 45 0.055 -11.051 -3.857 365 HA HIS 45 HA HIS 45 -0.791 -12.147 -5.642 366 HB2 HIS 45 2HB HIS 45 -0.756 -14.334 -3.624 367 HB3 HIS 45 1HB HIS 45 -1.671 -14.590 -5.106 368 HD1 HIS 45 HD1 HIS 45 0.432 -16.492 -5.054 369 HD2 HIS 45 HD2 HIS 45 1.247 -12.578 -6.195 370 HE1 HIS 45 HE1 HIS 45 2.568 -16.601 -6.381 371 HE2 HIS 45 HE2 HIS 45 3.108 -14.206 -6.953 372 H ILE 46 H ILE 46 -2.540 -10.715 -3.578 373 HA ILE 46 HA ILE 46 -5.113 -11.839 -4.370 374 HB ILE 46 HB ILE 46 -6.106 -10.101 -2.888 375 HG12 ILE 46 2HG1 ILE 46 -3.216 -9.557 -2.145 376 HG13 ILE 46 1HG1 ILE 46 -4.280 -8.443 -2.996 377 HG21 ILE 46 1HG2 ILE 46 -4.054 -11.920 -1.630 378 HG22 ILE 46 2HG2 ILE 46 -5.700 -12.356 -2.089 379 HG23 ILE 46 3HG2 ILE 46 -5.426 -11.192 -0.795 380 HD11 ILE 46 3HD1 ILE 46 -4.102 -7.818 -0.678 381 HD12 ILE 46 1HD1 ILE 46 -4.615 -9.428 -0.174 382 HD13 ILE 46 2HD1 ILE 46 -5.741 -8.372 -1.023 383 HA PRO 47 HA PRO 47 -5.009 -9.258 -7.971 384 HB2 PRO 47 2HB PRO 47 -7.904 -9.868 -8.055 385 HB3 PRO 47 1HB PRO 47 -6.655 -10.158 -9.271 386 HG2 PRO 47 2HG PRO 47 -7.693 -12.167 -7.848 387 HG3 PRO 47 1HG PRO 47 -5.975 -12.141 -8.286 388 HD2 PRO 47 2HD PRO 47 -7.278 -11.492 -5.673 389 HD3 PRO 47 1HD PRO 47 -5.764 -12.364 -5.992 390 H VAL 48 H VAL 48 -5.862 -7.306 -8.751 391 HA VAL 48 HA VAL 48 -6.332 -5.275 -6.968 392 HB VAL 48 HB VAL 48 -7.322 -5.402 -9.821 393 HG11 VAL 48 1HG1 VAL 48 -8.338 -3.564 -8.572 394 HG12 VAL 48 2HG1 VAL 48 -7.201 -2.966 -9.780 395 HG13 VAL 48 3HG1 VAL 48 -6.738 -3.010 -8.079 396 HG21 VAL 48 3HG2 VAL 48 -4.960 -5.866 -9.729 397 HG22 VAL 48 1HG2 VAL 48 -4.693 -4.480 -8.670 398 HG23 VAL 48 2HG2 VAL 48 -5.202 -4.229 -10.338 399 H SER 49 H SER 49 -8.755 -7.250 -8.636 400 HA SER 49 HA SER 49 -11.017 -5.760 -7.817 401 HB2 SER 49 2HB SER 49 -12.248 -7.910 -8.417 402 HB3 SER 49 1HB SER 49 -11.263 -7.191 -9.693 403 HG SER 49 HG SER 49 -9.849 -8.796 -9.547 404 H LYS 50 H LYS 50 -9.154 -8.265 -6.273 405 HA LYS 50 HA LYS 50 -11.179 -8.584 -4.178 406 HB2 LYS 50 2HB LYS 50 -8.630 -10.139 -4.670 407 HB3 LYS 50 1HB LYS 50 -9.838 -10.507 -3.446 408 HG2 LYS 50 2HG LYS 50 -11.488 -10.894 -5.236 409 HG3 LYS 50 1HG LYS 50 -10.221 -10.609 -6.433 410 HD2 LYS 50 2HD LYS 50 -8.959 -12.498 -5.595 411 HD3 LYS 50 1HD LYS 50 -10.140 -12.748 -4.309 412 HE2 LYS 50 2HE LYS 50 -11.864 -13.089 -6.109 413 HE3 LYS 50 1HE LYS 50 -10.542 -13.090 -7.276 414 HZ1 LYS 50 3HZ LYS 50 -9.556 -14.942 -5.925 415 HZ2 LYS 50 1HZ LYS 50 -10.994 -15.330 -6.743 416 HZ3 LYS 50 2HZ LYS 50 -11.029 -15.017 -5.079 417 H GLN 51 H GLN 51 -8.817 -6.517 -4.802 418 HA GLN 51 HA GLN 51 -7.517 -6.595 -2.185 419 HB2 GLN 51 2HB GLN 51 -6.540 -6.124 -4.700 420 HB3 GLN 51 1HB GLN 51 -6.734 -4.493 -4.074 421 HG2 GLN 51 2HG GLN 51 -5.361 -5.075 -2.143 422 HG3 GLN 51 1HG GLN 51 -5.164 -6.708 -2.781 423 HE21 GLN 51 1HE2 GLN 51 -3.978 -7.001 -4.709 424 HE22 GLN 51 2HE2 GLN 51 -2.829 -5.813 -5.233 425 H THR 52 H THR 52 -9.236 -5.832 -0.926 426 HA THR 52 HA THR 52 -10.440 -3.279 -1.549 427 HB THR 52 HB THR 52 -10.760 -4.840 1.009 428 HG1 THR 52 HG1 THR 52 -11.392 -6.320 -0.460 429 HG21 THR 52 3HG2 THR 52 -12.969 -3.758 1.046 430 HG22 THR 52 1HG2 THR 52 -12.573 -2.916 -0.455 431 HG23 THR 52 2HG2 THR 52 -11.665 -2.570 1.016 432 H LEU 53 H LEU 53 -9.029 -1.617 -1.320 433 HA LEU 53 HA LEU 53 -7.220 -1.424 0.905 434 HB2 LEU 53 2HB LEU 53 -8.020 0.552 -1.230 435 HB3 LEU 53 1HB LEU 53 -6.850 0.908 0.024 436 HG LEU 53 HG LEU 53 -6.555 -1.251 -2.069 437 HD11 LEU 53 1HD1 LEU 53 -5.224 1.441 -1.796 438 HD12 LEU 53 2HD1 LEU 53 -6.397 0.979 -3.028 439 HD13 LEU 53 3HD1 LEU 53 -4.812 0.207 -2.986 440 HD21 LEU 53 3HD2 LEU 53 -4.615 -0.240 0.010 441 HD22 LEU 53 1HD2 LEU 53 -4.277 -1.448 -1.230 442 HD23 LEU 53 2HD2 LEU 53 -5.444 -1.796 0.046 443 H ILE 54 H ILE 54 -8.370 -1.385 2.799 444 HA ILE 54 HA ILE 54 -10.461 0.621 3.125 445 HB ILE 54 HB ILE 54 -9.410 -1.372 5.145 446 HG12 ILE 54 2HG1 ILE 54 -11.901 -1.469 3.423 447 HG13 ILE 54 1HG1 ILE 54 -10.466 -2.466 3.204 448 HG21 ILE 54 1HG2 ILE 54 -11.885 0.353 5.190 449 HG22 ILE 54 2HG2 ILE 54 -10.441 0.583 6.177 450 HG23 ILE 54 3HG2 ILE 54 -11.445 -0.851 6.400 451 HD11 ILE 54 3HD1 ILE 54 -12.285 -2.501 5.599 452 HD12 ILE 54 1HD1 ILE 54 -10.856 -3.508 5.369 453 HD13 ILE 54 2HD1 ILE 54 -12.247 -3.696 4.301 454 H VAL 55 H VAL 55 -9.473 2.576 3.152 455 HA VAL 55 HA VAL 55 -7.248 3.009 4.980 456 HB VAL 55 HB VAL 55 -6.967 4.079 2.864 457 HG11 VAL 55 1HG1 VAL 55 -9.300 4.179 2.161 458 HG12 VAL 55 2HG1 VAL 55 -8.500 5.738 1.959 459 HG13 VAL 55 3HG1 VAL 55 -9.598 5.477 3.316 460 HG21 VAL 55 3HG2 VAL 55 -7.716 6.149 4.920 461 HG22 VAL 55 1HG2 VAL 55 -6.704 6.425 3.503 462 HG23 VAL 55 2HG2 VAL 55 -6.157 5.336 4.778 463 H ASP 56 H ASP 56 -7.868 3.043 6.995 464 HA ASP 56 HA ASP 56 -8.808 3.679 8.953 465 HB2 ASP 56 2HB ASP 56 -8.568 6.009 8.201 466 HB3 ASP 56 1HB ASP 56 -10.117 5.904 7.369 467 H GLY 57 H GLY 57 -11.393 4.504 6.659 468 HA2 GLY 57 2HA GLY 57 -12.837 2.074 7.252 469 HA3 GLY 57 1HA GLY 57 -13.574 3.523 7.922 470 H ILE 58 H ILE 58 -11.773 3.756 5.001 471 HA ILE 58 HA ILE 58 -14.256 3.970 3.429 472 HB ILE 58 HB ILE 58 -11.843 5.796 3.306 473 HG12 ILE 58 2HG1 ILE 58 -13.322 6.294 5.195 474 HG13 ILE 58 1HG1 ILE 58 -13.406 7.565 3.982 475 HG21 ILE 58 1HG2 ILE 58 -14.342 5.823 1.623 476 HG22 ILE 58 2HG2 ILE 58 -12.723 5.384 1.079 477 HG23 ILE 58 3HG2 ILE 58 -13.065 7.038 1.588 478 HD11 ILE 58 3HD1 ILE 58 -15.420 5.368 4.381 479 HD12 ILE 58 1HD1 ILE 58 -15.503 6.633 3.155 480 HD13 ILE 58 2HD1 ILE 58 -15.603 7.055 4.865 481 H VAL 59 H VAL 59 -14.188 3.100 1.395 482 HA VAL 59 HA VAL 59 -11.650 1.855 0.584 483 HB VAL 59 HB VAL 59 -13.502 0.266 0.803 484 HG11 VAL 59 1HG1 VAL 59 -14.870 1.936 -1.304 485 HG12 VAL 59 2HG1 VAL 59 -15.397 1.692 0.363 486 HG13 VAL 59 3HG1 VAL 59 -15.404 0.342 -0.772 487 HG21 VAL 59 3HG2 VAL 59 -12.659 0.731 -2.056 488 HG22 VAL 59 1HG2 VAL 59 -13.352 -0.764 -1.425 489 HG23 VAL 59 2HG2 VAL 59 -11.786 -0.202 -0.841 490 H ILE 60 H ILE 60 -10.575 2.650 -1.096 491 HA ILE 60 HA ILE 60 -11.774 4.829 -2.613 492 HB ILE 60 HB ILE 60 -8.930 3.807 -2.688 493 HG12 ILE 60 2HG1 ILE 60 -9.504 4.667 -0.463 494 HG13 ILE 60 1HG1 ILE 60 -8.381 5.746 -1.282 495 HG21 ILE 60 1HG2 ILE 60 -10.152 6.352 -3.746 496 HG22 ILE 60 2HG2 ILE 60 -9.555 4.999 -4.707 497 HG23 ILE 60 3HG2 ILE 60 -8.431 5.964 -3.749 498 HD11 ILE 60 3HD1 ILE 60 -10.217 7.246 -1.836 499 HD12 ILE 60 1HD1 ILE 60 -10.102 6.983 -0.096 500 HD13 ILE 60 2HD1 ILE 60 -11.352 6.161 -1.032 501 H LEU 61 H LEU 61 -12.572 4.571 -4.578 502 HA LEU 61 HA LEU 61 -11.977 2.069 -6.013 503 HB2 LEU 61 2HB LEU 61 -14.336 3.933 -6.301 504 HB3 LEU 61 1HB LEU 61 -14.100 2.440 -7.188 505 HG LEU 61 HG LEU 61 -14.467 2.635 -4.196 506 HD11 LEU 61 1HD1 LEU 61 -16.512 3.200 -5.361 507 HD12 LEU 61 2HD1 LEU 61 -16.652 1.597 -4.639 508 HD13 LEU 61 3HD1 LEU 61 -16.362 1.763 -6.371 509 HD21 LEU 61 3HD2 LEU 61 -14.273 0.252 -6.034 510 HD22 LEU 61 1HD2 LEU 61 -14.697 0.190 -4.323 511 HD23 LEU 61 2HD2 LEU 61 -13.094 0.736 -4.815 512 H ARG 62 H ARG 62 -10.852 5.080 -6.019 513 HA ARG 62 HA ARG 62 -10.877 5.401 -8.929 514 HB2 ARG 62 2HB ARG 62 -10.148 7.300 -6.709 515 HB3 ARG 62 1HB ARG 62 -9.767 7.631 -8.391 516 HG2 ARG 62 2HG ARG 62 -12.540 7.165 -7.311 517 HG3 ARG 62 1HG ARG 62 -11.825 8.745 -7.629 518 HD2 ARG 62 2HD ARG 62 -13.171 8.238 -9.510 519 HD3 ARG 62 1HD ARG 62 -11.502 7.984 -10.018 520 HE ARG 62 HE ARG 62 -13.066 5.679 -9.098 521 HH11 ARG 62 1HH1 ARG 62 -11.581 7.432 -11.749 522 HH12 ARG 62 2HH1 ARG 62 -11.669 6.083 -12.848 523 HH21 ARG 62 1HH2 ARG 62 -13.159 3.914 -10.530 524 HH22 ARG 62 2HH2 ARG 62 -12.560 4.088 -12.153 525 H GLU 63 H GLU 63 -9.454 3.812 -9.494 526 HA GLU 63 HA GLU 63 -6.925 3.392 -8.291 527 HB2 GLU 63 2HB GLU 63 -7.774 2.624 -11.085 528 HB3 GLU 63 1HB GLU 63 -6.521 1.868 -10.113 529 HG2 GLU 63 2HG GLU 63 -9.440 1.875 -9.400 530 HG3 GLU 63 1HG GLU 63 -8.631 0.574 -10.267 531 H ASP 64 H ASP 64 -8.027 5.709 -10.512 532 HA ASP 64 HA ASP 64 -5.616 5.934 -12.066 533 HB2 ASP 64 2HB ASP 64 -7.848 6.315 -13.045 534 HB3 ASP 64 1HB ASP 64 -8.068 7.703 -11.987 535 H LEU 65 H LEU 65 -6.592 7.158 -9.068 536 HA LEU 65 HA LEU 65 -5.305 9.736 -9.342 537 HB2 LEU 65 2HB LEU 65 -6.594 8.338 -7.005 538 HB3 LEU 65 1HB LEU 65 -5.834 9.913 -6.879 539 HG LEU 65 HG LEU 65 -8.200 9.252 -8.639 540 HD11 LEU 65 1HD1 LEU 65 -8.743 9.255 -6.248 541 HD12 LEU 65 2HD1 LEU 65 -9.475 10.623 -7.086 542 HD13 LEU 65 3HD1 LEU 65 -8.037 10.864 -6.094 543 HD21 LEU 65 3HD2 LEU 65 -8.303 11.663 -9.018 544 HD22 LEU 65 1HD2 LEU 65 -6.778 10.991 -9.592 545 HD23 LEU 65 2HD2 LEU 65 -6.830 11.881 -8.071 546 H THR 66 H THR 66 -3.400 10.367 -8.544 547 HA THR 66 HA THR 66 -1.420 8.390 -7.868 548 HB THR 66 HB THR 66 -1.170 11.407 -7.828 549 HG1 THR 66 HG1 THR 66 -0.504 9.720 -10.023 550 HG21 THR 66 3HG2 THR 66 0.690 10.220 -6.777 551 HG22 THR 66 1HG2 THR 66 1.192 10.979 -8.288 552 HG23 THR 66 2HG2 THR 66 0.894 9.242 -8.232 553 H VAL 67 H VAL 67 -0.278 8.265 -5.871 554 HA VAL 67 HA VAL 67 -1.716 8.534 -3.509 555 HB VAL 67 HB VAL 67 1.285 8.498 -3.878 556 HG11 VAL 67 1HG1 VAL 67 1.381 7.721 -1.547 557 HG12 VAL 67 2HG1 VAL 67 -0.355 7.992 -1.394 558 HG13 VAL 67 3HG1 VAL 67 0.731 9.355 -1.672 559 HG21 VAL 67 3HG2 VAL 67 -0.686 6.286 -3.304 560 HG22 VAL 67 1HG2 VAL 67 1.067 6.104 -3.348 561 HG23 VAL 67 2HG2 VAL 67 0.189 6.542 -4.814 562 H GLU 68 H GLU 68 0.699 10.738 -4.887 563 HA GLU 68 HA GLU 68 0.659 12.680 -2.870 564 HB2 GLU 68 2HB GLU 68 2.365 12.570 -4.641 565 HB3 GLU 68 1HB GLU 68 1.156 13.015 -5.834 566 HG2 GLU 68 2HG GLU 68 0.883 15.188 -4.754 567 HG3 GLU 68 1HG GLU 68 2.098 14.742 -3.556 568 H GLN 69 H GLN 69 -1.445 12.145 -5.617 569 HA GLN 69 HA GLN 69 -2.787 14.653 -5.515 570 HB2 GLN 69 2HB GLN 69 -3.655 12.026 -6.736 571 HB3 GLN 69 1HB GLN 69 -4.415 13.584 -7.030 572 HG2 GLN 69 2HG GLN 69 -1.559 12.920 -7.704 573 HG3 GLN 69 1HG GLN 69 -2.906 12.854 -8.840 574 HE21 GLN 69 1HE2 GLN 69 -3.820 14.726 -9.571 575 HE22 GLN 69 2HE2 GLN 69 -3.075 16.270 -9.370 576 H CYS 70 H CYS 70 -3.469 11.429 -4.231 577 HA CYS 70 HA CYS 70 -5.984 12.181 -3.087 578 HB2 CYS 70 2HB CYS 70 -4.219 9.814 -2.429 579 HB3 CYS 70 1HB CYS 70 -5.923 9.992 -2.021 580 HG CYS 70 HG CYS 70 -6.931 9.269 -4.304 581 H GLN 71 H GLN 71 -2.790 12.759 -2.241 582 HA GLN 71 HA GLN 71 -1.690 13.449 -0.391 583 HB2 GLN 71 2HB GLN 71 -4.443 14.429 0.365 584 HB3 GLN 71 1HB GLN 71 -2.953 14.903 1.170 585 HG2 GLN 71 2HG GLN 71 -2.137 15.891 -0.900 586 HG3 GLN 71 1HG GLN 71 -3.618 15.399 -1.723 587 HE21 GLN 71 1HE2 GLN 71 -5.534 16.451 -1.263 588 HE22 GLN 71 2HE2 GLN 71 -5.576 17.984 -0.457 589 H ILE 72 H ILE 72 -1.712 10.976 -0.135 590 HA ILE 72 HA ILE 72 -3.230 9.918 2.041 591 HB ILE 72 HB ILE 72 -0.773 8.804 0.670 592 HG12 ILE 72 2HG1 ILE 72 -2.690 9.058 -0.837 593 HG13 ILE 72 1HG1 ILE 72 -2.378 7.357 -0.509 594 HG21 ILE 72 1HG2 ILE 72 -1.371 6.668 1.675 595 HG22 ILE 72 2HG2 ILE 72 -2.721 7.427 2.517 596 HG23 ILE 72 3HG2 ILE 72 -1.064 7.878 2.920 597 HD11 ILE 72 3HD1 ILE 72 -4.517 9.026 0.792 598 HD12 ILE 72 1HD1 ILE 72 -4.219 7.311 1.078 599 HD13 ILE 72 2HD1 ILE 72 -4.761 7.862 -0.509 600 H VAL 73 H VAL 73 -2.856 10.205 4.108 601 HA VAL 73 HA VAL 73 -0.243 11.235 4.946 602 HB VAL 73 HB VAL 73 -1.422 11.997 7.001 603 HG11 VAL 73 1HG1 VAL 73 -1.095 13.520 5.128 604 HG12 VAL 73 2HG1 VAL 73 -2.627 13.846 5.939 605 HG13 VAL 73 3HG1 VAL 73 -2.609 12.975 4.405 606 HG21 VAL 73 3HG2 VAL 73 -3.858 12.005 7.066 607 HG22 VAL 73 1HG2 VAL 73 -3.245 10.353 6.982 608 HG23 VAL 73 2HG2 VAL 73 -3.917 11.119 5.542 609 HA PRO 74 HA PRO 74 0.676 7.471 7.084 610 HB2 PRO 74 2HB PRO 74 2.259 8.453 9.080 611 HB3 PRO 74 1HB PRO 74 2.804 8.259 7.411 612 HG2 PRO 74 2HG PRO 74 1.836 10.720 8.814 613 HG3 PRO 74 1HG PRO 74 3.204 10.527 7.702 614 HD2 PRO 74 2HD PRO 74 0.846 11.562 6.914 615 HD3 PRO 74 1HD PRO 74 1.853 10.578 5.833 616 H THR 75 H THR 75 -0.898 10.123 8.580 617 HA THR 75 HA THR 75 -1.420 8.853 11.102 618 HB THR 75 HB THR 75 -3.112 10.855 11.206 619 HG1 THR 75 HG1 THR 75 -3.143 11.950 9.394 620 HG21 THR 75 3HG2 THR 75 -0.128 11.297 11.099 621 HG22 THR 75 1HG2 THR 75 -1.033 10.714 12.496 622 HG23 THR 75 2HG2 THR 75 -1.298 12.351 11.892 623 H SER 76 H SER 76 -2.183 7.057 9.321 624 HA SER 76 HA SER 76 -5.038 6.874 9.735 625 HB2 SER 76 2HB SER 76 -4.767 8.044 7.522 626 HB3 SER 76 1HB SER 76 -3.918 6.618 6.931 627 HG SER 76 HG SER 76 -6.612 7.021 7.384 628 H ASP 77 H ASP 77 -5.566 4.633 8.256 629 HA ASP 77 HA ASP 77 -3.519 2.655 8.880 630 HB2 ASP 77 2HB ASP 77 -4.730 2.836 10.986 631 HB3 ASP 77 1HB ASP 77 -6.267 2.645 10.153 632 H ILE 78 H ILE 78 -3.399 1.373 7.148 633 HA ILE 78 HA ILE 78 -5.795 1.098 5.462 634 HB ILE 78 HB ILE 78 -2.907 0.650 4.676 635 HG12 ILE 78 2HG1 ILE 78 -4.756 2.973 4.048 636 HG13 ILE 78 1HG1 ILE 78 -3.416 3.023 5.188 637 HG21 ILE 78 1HG2 ILE 78 -3.769 0.576 2.392 638 HG22 ILE 78 2HG2 ILE 78 -5.413 0.782 2.996 639 HG23 ILE 78 3HG2 ILE 78 -4.508 -0.680 3.387 640 HD11 ILE 78 3HD1 ILE 78 -1.848 2.625 3.372 641 HD12 ILE 78 1HD1 ILE 78 -2.834 4.054 3.068 642 HD13 ILE 78 2HD1 ILE 78 -3.186 2.545 2.226 643 H GLN 79 H GLN 79 -6.837 -0.722 5.870 644 HA GLN 79 HA GLN 79 -5.264 -3.167 6.341 645 HB2 GLN 79 2HB GLN 79 -6.852 -2.487 8.152 646 HB3 GLN 79 1HB GLN 79 -8.173 -2.672 7.006 647 HG2 GLN 79 2HG GLN 79 -7.694 -5.029 6.780 648 HG3 GLN 79 1HG GLN 79 -6.298 -4.874 7.846 649 HE21 GLN 79 1HE2 GLN 79 -7.107 -6.364 9.307 650 HE22 GLN 79 2HE2 GLN 79 -8.438 -6.004 10.351 651 H LEU 80 H LEU 80 -5.611 -4.947 5.071 652 HA LEU 80 HA LEU 80 -7.070 -4.443 2.581 653 HB2 LEU 80 2HB LEU 80 -5.019 -6.523 3.316 654 HB3 LEU 80 1HB LEU 80 -5.827 -6.455 1.765 655 HG LEU 80 HG LEU 80 -4.103 -4.239 2.862 656 HD11 LEU 80 1HD1 LEU 80 -2.753 -6.220 2.510 657 HD12 LEU 80 2HD1 LEU 80 -2.423 -5.031 1.250 658 HD13 LEU 80 3HD1 LEU 80 -3.440 -6.429 0.900 659 HD21 LEU 80 3HD2 LEU 80 -5.206 -4.770 0.107 660 HD22 LEU 80 1HD2 LEU 80 -4.162 -3.426 0.566 661 HD23 LEU 80 2HD2 LEU 80 -5.791 -3.543 1.231 662 H GLU 81 H GLU 81 -9.137 -5.051 2.719 663 HA GLU 81 HA GLU 81 -9.874 -7.527 4.045 664 HB2 GLU 81 2HB GLU 81 -11.396 -5.584 4.154 665 HB3 GLU 81 1HB GLU 81 -11.553 -5.609 2.405 666 HG2 GLU 81 2HG GLU 81 -12.558 -7.843 2.544 667 HG3 GLU 81 1HG GLU 81 -12.445 -7.764 4.302 668 H VAL 82 H VAL 82 -9.466 -9.368 3.035 669 HA VAL 82 HA VAL 82 -9.075 -9.320 0.154 670 HB VAL 82 HB VAL 82 -7.265 -10.312 1.333 671 HG11 VAL 82 1HG1 VAL 82 -7.526 -12.274 2.793 672 HG12 VAL 82 2HG1 VAL 82 -9.277 -12.138 2.639 673 HG13 VAL 82 3HG1 VAL 82 -8.357 -10.853 3.423 674 HG21 VAL 82 3HG2 VAL 82 -7.819 -11.411 -0.756 675 HG22 VAL 82 1HG2 VAL 82 -8.937 -12.488 0.081 676 HG23 VAL 82 2HG2 VAL 82 -7.206 -12.586 0.408 677 H SER 83 H SER 83 -10.742 -9.717 -1.085 678 HA SER 83 HA SER 83 -12.943 -11.382 -0.290 679 HB2 SER 83 2HB SER 83 -12.265 -10.338 -3.051 680 HB3 SER 83 1HB SER 83 -13.843 -10.882 -2.481 681 HG SER 83 HG SER 83 -13.980 -9.098 -1.158 682 H SER 84 H SER 84 -13.223 -13.518 -0.732 683 HA SER 84 HA SER 84 -11.014 -14.852 -2.116 684 HB2 SER 84 2HB SER 84 -13.142 -15.996 -0.292 685 HB3 SER 84 1HB SER 84 -11.814 -16.909 -1.012 686 HG SER 84 HG SER 84 -10.604 -14.956 0.103 Start of MODEL 16 1 H1 MET 1 1H MET 1 17.636 29.553 7.402 2 H2 MET 1 2H MET 1 18.913 30.019 6.387 3 H3 MET 1 3H MET 1 18.597 28.372 6.660 4 HA MET 1 HA MET 1 16.808 30.268 5.260 5 HB2 MET 1 2HB MET 1 18.435 27.925 4.236 6 HB3 MET 1 1HB MET 1 17.303 28.869 3.279 7 HG2 MET 1 2HG MET 1 18.681 30.841 3.531 8 HG3 MET 1 1HG MET 1 19.784 29.961 4.587 9 HE1 MET 1 3HE MET 1 21.916 30.484 1.332 10 HE2 MET 1 1HE MET 1 21.863 30.693 3.082 11 HE3 MET 1 2HE MET 1 20.760 31.606 2.052 12 H GLY 2 H GLY 2 15.091 28.930 4.050 13 HA2 GLY 2 2HA GLY 2 14.331 26.520 5.532 14 HA3 GLY 2 1HA GLY 2 13.233 27.890 5.601 15 H HIS 3 H HIS 3 11.924 26.005 4.699 16 HA HIS 3 HA HIS 3 11.442 26.557 1.937 17 HB2 HIS 3 2HB HIS 3 13.316 24.811 1.897 18 HB3 HIS 3 1HB HIS 3 12.154 23.686 2.590 19 HD1 HIS 3 HD1 HIS 3 12.043 26.100 -0.368 20 HD2 HIS 3 HD2 HIS 3 11.140 22.158 0.613 21 HE1 HIS 3 HE1 HIS 3 11.152 25.059 -2.479 22 HE2 HIS 3 HE2 HIS 3 10.789 22.637 -1.910 23 H HIS 4 H HIS 4 9.322 26.825 2.058 24 HA HIS 4 HA HIS 4 7.805 26.146 4.280 25 HB2 HIS 4 2HB HIS 4 7.195 27.970 2.776 26 HB3 HIS 4 1HB HIS 4 6.832 26.816 1.498 27 HD1 HIS 4 HD1 HIS 4 5.577 27.842 4.930 28 HD2 HIS 4 HD2 HIS 4 4.270 25.856 1.512 29 HE1 HIS 4 HE1 HIS 4 3.120 27.410 5.285 30 HE2 HIS 4 HE2 HIS 4 2.390 26.069 3.282 31 H HIS 5 H HIS 5 7.444 24.693 1.019 32 HA HIS 5 HA HIS 5 5.782 22.647 2.264 33 HB2 HIS 5 2HB HIS 5 5.022 23.748 0.166 34 HB3 HIS 5 1HB HIS 5 6.402 23.041 -0.668 35 HD1 HIS 5 HD1 HIS 5 3.139 22.099 0.959 36 HD2 HIS 5 HD2 HIS 5 6.107 20.375 -1.394 37 HE1 HIS 5 HE1 HIS 5 2.232 19.865 0.247 38 HE2 HIS 5 HE2 HIS 5 4.099 18.776 -1.051 39 H HIS 6 H HIS 6 6.592 20.828 2.942 40 HA HIS 6 HA HIS 6 9.152 19.887 1.869 41 HB2 HIS 6 2HB HIS 6 7.568 19.228 4.342 42 HB3 HIS 6 1HB HIS 6 8.838 18.150 3.772 43 HD1 HIS 6 HD1 HIS 6 11.178 18.710 4.410 44 HD2 HIS 6 HD2 HIS 6 8.562 21.887 5.047 45 HE1 HIS 6 HE1 HIS 6 12.509 20.451 5.645 46 HE2 HIS 6 HE2 HIS 6 10.943 22.405 5.934 47 H HIS 7 H HIS 7 9.394 17.808 1.000 48 HA HIS 7 HA HIS 7 6.940 16.282 0.554 49 HB2 HIS 7 2HB HIS 7 7.586 15.915 -1.847 50 HB3 HIS 7 1HB HIS 7 7.052 17.546 -1.470 51 HD1 HIS 7 HD1 HIS 7 8.464 19.332 -2.406 52 HD2 HIS 7 HD2 HIS 7 10.585 15.785 -1.931 53 HE1 HIS 7 HE1 HIS 7 10.754 19.777 -3.346 54 HE2 HIS 7 HE2 HIS 7 12.047 17.649 -2.979 55 H HIS 8 H HIS 8 7.201 14.157 0.732 56 HA HIS 8 HA HIS 8 9.953 13.142 0.937 57 HB2 HIS 8 2HB HIS 8 7.361 12.048 2.053 58 HB3 HIS 8 1HB HIS 8 8.905 11.208 2.139 59 HD1 HIS 8 HD1 HIS 8 6.886 13.814 3.783 60 HD2 HIS 8 HD2 HIS 8 10.826 12.476 3.858 61 HE1 HIS 8 HE1 HIS 8 7.902 14.791 5.872 62 HE2 HIS 8 HE2 HIS 8 10.217 13.794 5.993 63 H SER 9 H SER 9 10.263 10.911 0.124 64 HA SER 9 HA SER 9 8.341 10.111 -1.930 65 HB2 SER 9 2HB SER 9 11.330 10.276 -2.408 66 HB3 SER 9 1HB SER 9 10.108 9.745 -3.566 67 HG SER 9 HG SER 9 9.221 12.017 -2.943 68 H HIS 10 H HIS 10 8.501 7.881 -2.516 69 HA HIS 10 HA HIS 10 8.376 5.711 -1.874 70 HB2 HIS 10 2HB HIS 10 11.215 6.319 -1.051 71 HB3 HIS 10 1HB HIS 10 10.533 4.695 -1.083 72 HD1 HIS 10 HD1 HIS 10 12.228 7.126 -3.171 73 HD2 HIS 10 HD2 HIS 10 9.632 3.931 -3.768 74 HE1 HIS 10 HE1 HIS 10 12.411 6.548 -5.616 75 HE2 HIS 10 HE2 HIS 10 10.680 4.748 -5.985 76 H MET 11 H MET 11 6.767 5.972 -0.343 77 HA MET 11 HA MET 11 7.617 6.101 2.463 78 HB2 MET 11 2HB MET 11 5.028 6.625 1.050 79 HB3 MET 11 1HB MET 11 5.004 6.164 2.744 80 HG2 MET 11 2HG MET 11 6.490 8.521 1.611 81 HG3 MET 11 1HG MET 11 4.919 8.590 2.410 82 HE1 MET 11 3HE MET 11 6.952 10.194 5.238 83 HE2 MET 11 1HE MET 11 5.465 10.221 4.291 84 HE3 MET 11 2HE MET 11 7.016 10.517 3.505 85 H LYS 12 H LYS 12 7.869 4.236 3.492 86 HA LYS 12 HA LYS 12 6.565 1.823 2.554 87 HB2 LYS 12 2HB LYS 12 8.285 2.319 4.997 88 HB3 LYS 12 1HB LYS 12 7.689 0.747 4.495 89 HG2 LYS 12 2HG LYS 12 9.009 0.882 2.459 90 HG3 LYS 12 1HG LYS 12 9.583 2.485 2.930 91 HD2 LYS 12 2HD LYS 12 10.587 1.528 4.949 92 HD3 LYS 12 1HD LYS 12 10.018 -0.070 4.473 93 HE2 LYS 12 2HE LYS 12 11.942 1.634 2.898 94 HE3 LYS 12 1HE LYS 12 12.398 0.298 3.956 95 HZ1 LYS 12 3HZ LYS 12 11.257 0.244 1.288 96 HZ2 LYS 12 1HZ LYS 12 10.616 -0.897 2.377 97 HZ3 LYS 12 2HZ LYS 12 12.278 -0.870 2.066 98 H PHE 13 H PHE 13 4.343 2.299 2.869 99 HA PHE 13 HA PHE 13 3.513 2.927 5.582 100 HB2 PHE 13 2HB PHE 13 1.286 3.195 4.738 101 HB3 PHE 13 1HB PHE 13 2.381 4.012 3.636 102 HD1 PHE 13 HD1 PHE 13 3.121 2.585 1.547 103 HD2 PHE 13 HD2 PHE 13 -0.344 1.842 3.901 104 HE1 PHE 13 HE1 PHE 13 2.098 1.383 -0.340 105 HE2 PHE 13 HE2 PHE 13 -1.370 0.632 2.021 106 HZ PHE 13 HZ PHE 13 -0.147 0.404 -0.105 107 H LEU 14 H LEU 14 2.548 1.553 6.970 108 HA LEU 14 HA LEU 14 3.209 -1.186 6.643 109 HB2 LEU 14 2HB LEU 14 3.264 -0.061 8.821 110 HB3 LEU 14 1HB LEU 14 1.526 0.163 8.754 111 HG LEU 14 HG LEU 14 1.240 -2.302 8.785 112 HD11 LEU 14 1HD1 LEU 14 3.397 -2.925 7.827 113 HD12 LEU 14 2HD1 LEU 14 3.139 -3.712 9.384 114 HD13 LEU 14 3HD1 LEU 14 4.218 -2.321 9.267 115 HD21 LEU 14 3HD2 LEU 14 2.840 -1.162 11.069 116 HD22 LEU 14 1HD2 LEU 14 1.794 -2.580 11.141 117 HD23 LEU 14 2HD2 LEU 14 1.102 -0.988 10.832 118 H VAL 15 H VAL 15 2.129 -2.215 5.073 119 HA VAL 15 HA VAL 15 -0.739 -1.978 4.808 120 HB VAL 15 HB VAL 15 1.102 -3.953 3.442 121 HG11 VAL 15 1HG1 VAL 15 -1.269 -4.533 3.350 122 HG12 VAL 15 2HG1 VAL 15 -0.663 -4.073 1.760 123 HG13 VAL 15 3HG1 VAL 15 -1.639 -2.939 2.692 124 HG21 VAL 15 3HG2 VAL 15 1.148 -2.399 1.560 125 HG22 VAL 15 1HG2 VAL 15 1.862 -1.686 3.005 126 HG23 VAL 15 2HG2 VAL 15 0.235 -1.223 2.506 127 H GLU 16 H GLU 16 -1.567 -2.760 6.755 128 HA GLU 16 HA GLU 16 -0.875 -5.486 7.501 129 HB2 GLU 16 2HB GLU 16 -1.062 -3.814 9.294 130 HB3 GLU 16 1HB GLU 16 -2.742 -3.527 8.857 131 HG2 GLU 16 2HG GLU 16 -3.469 -5.424 9.841 132 HG3 GLU 16 1HG GLU 16 -2.005 -6.322 9.448 133 H ASN 17 H ASN 17 -1.734 -6.791 6.023 134 HA ASN 17 HA ASN 17 -4.505 -6.570 5.225 135 HB2 ASN 17 2HB ASN 17 -2.663 -7.379 3.697 136 HB3 ASN 17 1HB ASN 17 -2.565 -8.831 4.686 137 HD21 ASN 17 1HD2 ASN 17 -3.167 -8.691 1.916 138 HD22 ASN 17 2HD2 ASN 17 -4.759 -9.327 1.697 139 H LEU 18 H LEU 18 -6.106 -7.347 6.417 140 HA LEU 18 HA LEU 18 -5.677 -8.737 8.829 141 HB2 LEU 18 2HB LEU 18 -8.164 -8.183 7.226 142 HB3 LEU 18 1HB LEU 18 -8.209 -9.074 8.733 143 HG LEU 18 HG LEU 18 -7.140 -7.060 9.831 144 HD11 LEU 18 1HD1 LEU 18 -7.416 -4.909 8.685 145 HD12 LEU 18 2HD1 LEU 18 -7.888 -5.765 7.216 146 HD13 LEU 18 3HD1 LEU 18 -6.258 -5.958 7.864 147 HD21 LEU 18 3HD2 LEU 18 -9.247 -5.853 9.992 148 HD22 LEU 18 1HD2 LEU 18 -9.504 -7.596 10.058 149 HD23 LEU 18 2HD2 LEU 18 -9.855 -6.708 8.575 150 H ASN 19 H ASN 19 -6.060 -9.821 5.598 151 HA ASN 19 HA ASN 19 -6.227 -12.606 6.552 152 HB2 ASN 19 2HB ASN 19 -7.472 -11.388 4.076 153 HB3 ASN 19 1HB ASN 19 -7.340 -13.122 4.345 154 HD21 ASN 19 1HD2 ASN 19 -8.937 -10.191 5.275 155 HD22 ASN 19 2HD2 ASN 19 -10.178 -10.924 6.225 156 H GLY 20 H GLY 20 -3.898 -10.912 6.047 157 HA2 GLY 20 2HA GLY 20 -2.549 -12.681 4.157 158 HA3 GLY 20 1HA GLY 20 -2.544 -10.966 3.771 159 H SER 21 H SER 21 -0.721 -9.996 4.326 160 HA SER 21 HA SER 21 0.535 -10.690 6.887 161 HB2 SER 21 2HB SER 21 1.762 -11.977 5.247 162 HB3 SER 21 1HB SER 21 1.924 -10.572 4.197 163 HG SER 21 HG SER 21 3.084 -10.921 6.771 164 H SER 22 H SER 22 1.445 -8.985 7.952 165 HA SER 22 HA SER 22 0.929 -6.329 6.991 166 HB2 SER 22 2HB SER 22 2.564 -7.191 9.393 167 HB3 SER 22 1HB SER 22 1.875 -5.593 9.105 168 HG SER 22 HG SER 22 0.255 -6.368 10.218 169 H PHE 23 H PHE 23 2.144 -5.597 5.364 170 HA PHE 23 HA PHE 23 5.049 -6.082 5.467 171 HB2 PHE 23 2HB PHE 23 4.011 -7.485 3.750 172 HB3 PHE 23 1HB PHE 23 3.264 -6.069 3.024 173 HD1 PHE 23 HD1 PHE 23 6.590 -7.497 3.872 174 HD2 PHE 23 HD2 PHE 23 4.343 -4.949 1.312 175 HE1 PHE 23 HE1 PHE 23 8.568 -7.201 2.438 176 HE2 PHE 23 HE2 PHE 23 6.316 -4.647 -0.129 177 HZ PHE 23 HZ PHE 23 8.430 -5.773 0.436 178 H GLU 24 H GLU 24 6.393 -4.402 4.786 179 HA GLU 24 HA GLU 24 5.189 -1.756 4.813 180 HB2 GLU 24 2HB GLU 24 8.074 -2.061 4.222 181 HB3 GLU 24 1HB GLU 24 7.264 -0.938 5.298 182 HG2 GLU 24 2HG GLU 24 7.194 -2.501 7.048 183 HG3 GLU 24 1HG GLU 24 7.583 -3.842 5.967 184 H LEU 25 H LEU 25 4.135 -1.558 2.819 185 HA LEU 25 HA LEU 25 5.526 -2.237 0.383 186 HB2 LEU 25 2HB LEU 25 2.977 -2.302 0.863 187 HB3 LEU 25 1HB LEU 25 3.028 -0.582 0.546 188 HG LEU 25 HG LEU 25 3.952 -2.653 -1.447 189 HD11 LEU 25 1HD1 LEU 25 1.801 -2.327 -2.553 190 HD12 LEU 25 2HD1 LEU 25 1.277 -1.282 -1.233 191 HD13 LEU 25 3HD1 LEU 25 1.593 -2.991 -0.932 192 HD21 LEU 25 3HD2 LEU 25 3.690 -0.834 -3.059 193 HD22 LEU 25 1HD2 LEU 25 4.847 -0.401 -1.800 194 HD23 LEU 25 2HD2 LEU 25 3.212 0.257 -1.758 195 H GLU 26 H GLU 26 7.055 -0.995 -0.425 196 HA GLU 26 HA GLU 26 7.249 1.786 0.371 197 HB2 GLU 26 2HB GLU 26 9.246 0.280 0.242 198 HB3 GLU 26 1HB GLU 26 9.036 0.226 -1.502 199 HG2 GLU 26 2HG GLU 26 9.408 2.622 -1.639 200 HG3 GLU 26 1HG GLU 26 9.567 2.707 0.115 201 H VAL 27 H VAL 27 5.550 2.794 -0.615 202 HA VAL 27 HA VAL 27 5.496 2.712 -3.558 203 HB VAL 27 HB VAL 27 3.409 2.017 -2.335 204 HG11 VAL 27 1HG1 VAL 27 2.001 3.751 -1.342 205 HG12 VAL 27 2HG1 VAL 27 3.290 4.932 -1.571 206 HG13 VAL 27 3HG1 VAL 27 3.525 3.573 -0.473 207 HG21 VAL 27 3HG2 VAL 27 3.307 2.762 -4.640 208 HG22 VAL 27 1HG2 VAL 27 3.183 4.440 -4.114 209 HG23 VAL 27 2HG2 VAL 27 1.883 3.304 -3.755 210 H ASP 28 H ASP 28 5.355 4.714 -4.709 211 HA ASP 28 HA ASP 28 6.323 6.981 -3.098 212 HB2 ASP 28 2HB ASP 28 7.749 6.072 -5.021 213 HB3 ASP 28 1HB ASP 28 6.531 6.749 -6.100 214 H TYR 29 H TYR 29 5.555 9.126 -3.702 215 HA TYR 29 HA TYR 29 2.735 9.211 -3.969 216 HB2 TYR 29 2HB TYR 29 4.820 11.397 -4.108 217 HB3 TYR 29 1HB TYR 29 3.085 11.691 -4.080 218 HD1 TYR 29 HD1 TYR 29 1.796 11.319 -2.058 219 HD2 TYR 29 HD2 TYR 29 5.997 10.651 -2.117 220 HE1 TYR 29 HE1 TYR 29 1.811 11.275 0.396 221 HE2 TYR 29 HE2 TYR 29 6.025 10.603 0.343 222 HH TYR 29 HH TYR 29 3.182 10.371 2.208 223 H ARG 30 H ARG 30 5.305 9.099 -6.157 224 HA ARG 30 HA ARG 30 4.161 10.305 -8.447 225 HB2 ARG 30 2HB ARG 30 6.581 9.726 -8.022 226 HB3 ARG 30 1HB ARG 30 6.162 8.049 -8.321 227 HG2 ARG 30 2HG ARG 30 5.446 8.684 -10.601 228 HG3 ARG 30 1HG ARG 30 6.020 10.327 -10.281 229 HD2 ARG 30 2HD ARG 30 7.604 7.779 -10.434 230 HD3 ARG 30 1HD ARG 30 7.809 9.258 -11.374 231 HE ARG 30 HE ARG 30 8.382 10.246 -9.044 232 HH11 ARG 30 1HH1 ARG 30 9.263 7.057 -10.190 233 HH12 ARG 30 2HH1 ARG 30 10.634 6.918 -9.136 234 HH21 ARG 30 1HH2 ARG 30 10.158 10.069 -7.656 235 HH22 ARG 30 2HH2 ARG 30 11.157 8.643 -7.693 236 H ASP 31 H ASP 31 3.726 7.224 -6.911 237 HA ASP 31 HA ASP 31 2.879 5.823 -9.267 238 HB2 ASP 31 2HB ASP 31 2.915 5.132 -6.341 239 HB3 ASP 31 1HB ASP 31 2.106 4.094 -7.509 240 H THR 32 H THR 32 0.839 4.952 -9.658 241 HA THR 32 HA THR 32 -1.402 6.565 -8.668 242 HB THR 32 HB THR 32 -1.474 4.641 -10.995 243 HG1 THR 32 HG1 THR 32 -0.136 7.032 -10.793 244 HG21 THR 32 3HG2 THR 32 -3.038 7.147 -10.367 245 HG22 THR 32 1HG2 THR 32 -3.622 5.494 -10.190 246 HG23 THR 32 2HG2 THR 32 -3.248 6.130 -11.794 247 H LEU 33 H LEU 33 -3.388 5.421 -8.053 248 HA LEU 33 HA LEU 33 -2.846 3.237 -6.347 249 HB2 LEU 33 2HB LEU 33 -5.473 4.361 -7.302 250 HB3 LEU 33 1HB LEU 33 -5.319 3.157 -6.035 251 HG LEU 33 HG LEU 33 -4.253 5.980 -5.955 252 HD11 LEU 33 1HD1 LEU 33 -6.663 5.838 -5.671 253 HD12 LEU 33 2HD1 LEU 33 -5.872 6.278 -4.157 254 HD13 LEU 33 3HD1 LEU 33 -6.452 4.631 -4.402 255 HD21 LEU 33 3HD2 LEU 33 -4.080 3.777 -3.904 256 HD22 LEU 33 1HD2 LEU 33 -3.614 5.459 -3.647 257 HD23 LEU 33 2HD2 LEU 33 -2.737 4.471 -4.814 258 H LEU 34 H LEU 34 -4.019 3.376 -9.644 259 HA LEU 34 HA LEU 34 -4.811 0.664 -9.846 260 HB2 LEU 34 2HB LEU 34 -5.428 2.373 -11.494 261 HB3 LEU 34 1HB LEU 34 -3.749 2.536 -11.965 262 HG LEU 34 HG LEU 34 -3.778 0.188 -12.771 263 HD11 LEU 34 1HD1 LEU 34 -5.552 -0.677 -11.351 264 HD12 LEU 34 2HD1 LEU 34 -5.944 -0.930 -13.053 265 HD13 LEU 34 3HD1 LEU 34 -6.722 0.370 -12.152 266 HD21 LEU 34 3HD2 LEU 34 -4.147 2.015 -14.327 267 HD22 LEU 34 1HD2 LEU 34 -5.868 2.017 -13.945 268 HD23 LEU 34 2HD2 LEU 34 -5.150 0.630 -14.764 269 H VAL 35 H VAL 35 -1.739 2.253 -9.845 270 HA VAL 35 HA VAL 35 -0.315 0.043 -11.053 271 HB VAL 35 HB VAL 35 0.789 2.528 -9.724 272 HG11 VAL 35 1HG1 VAL 35 2.406 0.691 -9.866 273 HG12 VAL 35 2HG1 VAL 35 2.842 2.022 -10.936 274 HG13 VAL 35 3HG1 VAL 35 2.107 0.564 -11.600 275 HG21 VAL 35 3HG2 VAL 35 1.091 3.367 -12.021 276 HG22 VAL 35 1HG2 VAL 35 -0.608 3.133 -11.607 277 HG23 VAL 35 2HG2 VAL 35 0.219 1.960 -12.632 278 H VAL 36 H VAL 36 -0.798 1.424 -7.832 279 HA VAL 36 HA VAL 36 1.163 -0.117 -6.524 280 HB VAL 36 HB VAL 36 0.104 1.929 -5.561 281 HG11 VAL 36 1HG1 VAL 36 -1.999 1.723 -4.337 282 HG12 VAL 36 2HG1 VAL 36 -2.197 0.083 -4.952 283 HG13 VAL 36 3HG1 VAL 36 -2.226 1.452 -6.064 284 HG21 VAL 36 3HG2 VAL 36 0.076 -0.548 -3.850 285 HG22 VAL 36 1HG2 VAL 36 0.076 1.107 -3.237 286 HG23 VAL 36 2HG2 VAL 36 1.453 0.509 -4.164 287 H LYS 37 H LYS 37 -2.132 -0.837 -7.467 288 HA LYS 37 HA LYS 37 -2.544 -3.116 -5.880 289 HB2 LYS 37 2HB LYS 37 -3.650 -2.244 -8.532 290 HB3 LYS 37 1HB LYS 37 -4.050 -3.821 -7.873 291 HG2 LYS 37 2HG LYS 37 -4.854 -2.633 -5.805 292 HG3 LYS 37 1HG LYS 37 -4.679 -1.124 -6.710 293 HD2 LYS 37 2HD LYS 37 -6.260 -1.857 -8.353 294 HD3 LYS 37 1HD LYS 37 -6.314 -3.474 -7.650 295 HE2 LYS 37 2HE LYS 37 -7.272 -2.509 -5.590 296 HE3 LYS 37 1HE LYS 37 -7.283 -0.923 -6.364 297 HZ1 LYS 37 3HZ LYS 37 -8.779 -1.788 -8.049 298 HZ2 LYS 37 1HZ LYS 37 -9.448 -2.015 -6.504 299 HZ3 LYS 37 2HZ LYS 37 -8.753 -3.319 -7.326 300 H GLN 38 H GLN 38 -0.829 -2.659 -8.907 301 HA GLN 38 HA GLN 38 -0.480 -5.424 -9.482 302 HB2 GLN 38 2HB GLN 38 1.216 -3.077 -10.355 303 HB3 GLN 38 1HB GLN 38 1.237 -4.685 -11.064 304 HG2 GLN 38 2HG GLN 38 -1.067 -2.752 -11.098 305 HG3 GLN 38 1HG GLN 38 -0.013 -3.150 -12.453 306 HE21 GLN 38 1HE2 GLN 38 -2.886 -3.402 -12.256 307 HE22 GLN 38 2HE2 GLN 38 -3.253 -5.072 -12.524 308 H LYS 39 H LYS 39 1.126 -3.125 -7.450 309 HA LYS 39 HA LYS 39 3.480 -4.722 -6.997 310 HB2 LYS 39 2HB LYS 39 2.417 -2.446 -5.307 311 HB3 LYS 39 1HB LYS 39 4.068 -3.045 -5.363 312 HG2 LYS 39 2HG LYS 39 4.340 -2.217 -7.613 313 HG3 LYS 39 1HG LYS 39 2.646 -1.724 -7.668 314 HD2 LYS 39 2HD LYS 39 3.927 0.232 -7.225 315 HD3 LYS 39 1HD LYS 39 3.128 -0.210 -5.716 316 HE2 LYS 39 2HE LYS 39 5.352 0.347 -5.144 317 HE3 LYS 39 1HE LYS 39 5.258 -1.412 -5.089 318 HZ1 LYS 39 3HZ LYS 39 7.206 -1.020 -6.242 319 HZ2 LYS 39 1HZ LYS 39 6.575 0.312 -7.087 320 HZ3 LYS 39 2HZ LYS 39 6.097 -1.260 -7.504 321 H ILE 40 H ILE 40 0.423 -4.073 -5.360 322 HA ILE 40 HA ILE 40 0.926 -5.566 -3.019 323 HB ILE 40 HB ILE 40 -1.718 -4.916 -4.338 324 HG12 ILE 40 2HG1 ILE 40 -0.243 -3.538 -2.085 325 HG13 ILE 40 1HG1 ILE 40 -0.353 -2.945 -3.737 326 HG21 ILE 40 1HG2 ILE 40 -1.143 -5.820 -1.518 327 HG22 ILE 40 2HG2 ILE 40 -1.937 -6.773 -2.772 328 HG23 ILE 40 3HG2 ILE 40 -2.715 -5.321 -2.143 329 HD11 ILE 40 3HD1 ILE 40 -1.898 -1.775 -2.296 330 HD12 ILE 40 1HD1 ILE 40 -2.644 -3.300 -1.819 331 HD13 ILE 40 2HD1 ILE 40 -2.779 -2.736 -3.485 332 H GLU 41 H GLU 41 -0.279 -6.444 -6.191 333 HA GLU 41 HA GLU 41 -1.387 -8.922 -5.792 334 HB2 GLU 41 2HB GLU 41 -1.328 -7.893 -7.989 335 HB3 GLU 41 1HB GLU 41 0.426 -8.030 -8.043 336 HG2 GLU 41 2HG GLU 41 -0.223 -10.606 -7.656 337 HG3 GLU 41 1HG GLU 41 -1.650 -10.060 -8.536 338 H ARG 42 H ARG 42 2.061 -8.223 -6.290 339 HA ARG 42 HA ARG 42 2.756 -11.009 -6.008 340 HB2 ARG 42 2HB ARG 42 3.846 -9.346 -7.591 341 HB3 ARG 42 1HB ARG 42 4.633 -8.655 -6.181 342 HG2 ARG 42 2HG ARG 42 5.832 -10.666 -5.765 343 HG3 ARG 42 1HG ARG 42 4.900 -11.537 -6.986 344 HD2 ARG 42 2HD ARG 42 6.752 -9.216 -7.507 345 HD3 ARG 42 1HD ARG 42 7.123 -10.913 -7.808 346 HE ARG 42 HE ARG 42 4.743 -10.039 -9.147 347 HH11 ARG 42 1HH1 ARG 42 8.241 -10.070 -9.334 348 HH12 ARG 42 2HH1 ARG 42 8.274 -10.010 -11.072 349 HH21 ARG 42 1HH2 ARG 42 4.774 -9.947 -11.436 350 HH22 ARG 42 2HH2 ARG 42 6.304 -9.928 -12.267 351 H SER 43 H SER 43 2.126 -8.554 -3.863 352 HA SER 43 HA SER 43 4.086 -9.439 -1.884 353 HB2 SER 43 2HB SER 43 3.817 -7.019 -2.167 354 HB3 SER 43 1HB SER 43 2.095 -7.152 -1.816 355 HG SER 43 HG SER 43 4.031 -8.055 0.027 356 H GLN 44 H GLN 44 0.559 -9.016 -2.207 357 HA GLN 44 HA GLN 44 0.197 -10.619 0.220 358 HB2 GLN 44 2HB GLN 44 -1.772 -8.916 -1.315 359 HB3 GLN 44 1HB GLN 44 -2.119 -9.767 0.184 360 HG2 GLN 44 2HG GLN 44 -0.030 -7.622 -0.111 361 HG3 GLN 44 1HG GLN 44 -1.670 -7.352 0.475 362 HE21 GLN 44 1HE2 GLN 44 0.936 -6.979 1.789 363 HE22 GLN 44 2HE2 GLN 44 0.848 -7.902 3.251 364 H HIS 45 H HIS 45 0.186 -10.981 -3.102 365 HA HIS 45 HA HIS 45 -0.303 -12.718 -4.473 366 HB2 HIS 45 2HB HIS 45 -0.716 -14.111 -1.832 367 HB3 HIS 45 1HB HIS 45 -0.881 -14.941 -3.375 368 HD1 HIS 45 HD1 HIS 45 1.184 -15.988 -4.233 369 HD2 HIS 45 HD2 HIS 45 1.992 -12.922 -1.545 370 HE1 HIS 45 HE1 HIS 45 3.685 -15.992 -3.928 371 HE2 HIS 45 HE2 HIS 45 4.115 -14.273 -2.128 372 H ILE 46 H ILE 46 -2.324 -10.806 -3.901 373 HA ILE 46 HA ILE 46 -4.717 -12.468 -4.290 374 HB ILE 46 HB ILE 46 -6.039 -10.542 -3.352 375 HG12 ILE 46 2HG1 ILE 46 -3.317 -9.666 -2.351 376 HG13 ILE 46 1HG1 ILE 46 -4.286 -8.815 -3.551 377 HG21 ILE 46 1HG2 ILE 46 -5.600 -11.170 -1.013 378 HG22 ILE 46 2HG2 ILE 46 -4.113 -11.968 -1.526 379 HG23 ILE 46 3HG2 ILE 46 -5.674 -12.567 -2.086 380 HD11 ILE 46 3HD1 ILE 46 -6.014 -8.420 -1.872 381 HD12 ILE 46 1HD1 ILE 46 -4.456 -7.765 -1.368 382 HD13 ILE 46 2HD1 ILE 46 -5.045 -9.274 -0.672 383 HA PRO 47 HA PRO 47 -5.092 -10.632 -8.284 384 HB2 PRO 47 2HB PRO 47 -8.011 -10.941 -7.878 385 HB3 PRO 47 1HB PRO 47 -6.971 -11.602 -9.144 386 HG2 PRO 47 2HG PRO 47 -7.938 -13.163 -7.215 387 HG3 PRO 47 1HG PRO 47 -6.293 -13.391 -7.840 388 HD2 PRO 47 2HD PRO 47 -7.193 -12.078 -5.303 389 HD3 PRO 47 1HD PRO 47 -5.811 -13.158 -5.583 390 H VAL 48 H VAL 48 -5.808 -8.768 -9.333 391 HA VAL 48 HA VAL 48 -5.761 -6.441 -7.827 392 HB VAL 48 HB VAL 48 -6.779 -6.843 -10.644 393 HG11 VAL 48 1HG1 VAL 48 -7.588 -4.719 -9.724 394 HG12 VAL 48 2HG1 VAL 48 -6.383 -4.462 -10.985 395 HG13 VAL 48 3HG1 VAL 48 -5.935 -4.281 -9.290 396 HG21 VAL 48 3HG2 VAL 48 -4.483 -7.554 -10.353 397 HG22 VAL 48 1HG2 VAL 48 -4.081 -6.023 -9.574 398 HG23 VAL 48 2HG2 VAL 48 -4.534 -6.054 -11.277 399 H SER 49 H SER 49 -8.598 -8.114 -9.174 400 HA SER 49 HA SER 49 -10.404 -6.018 -8.453 401 HB2 SER 49 2HB SER 49 -11.015 -8.898 -9.152 402 HB3 SER 49 1HB SER 49 -12.150 -7.547 -9.178 403 HG SER 49 HG SER 49 -10.900 -8.321 -11.208 404 H LYS 50 H LYS 50 -8.977 -8.595 -6.728 405 HA LYS 50 HA LYS 50 -11.128 -8.662 -4.752 406 HB2 LYS 50 2HB LYS 50 -8.608 -10.319 -4.980 407 HB3 LYS 50 1HB LYS 50 -9.840 -10.525 -3.741 408 HG2 LYS 50 2HG LYS 50 -11.487 -10.962 -5.576 409 HG3 LYS 50 1HG LYS 50 -10.129 -10.969 -6.702 410 HD2 LYS 50 2HD LYS 50 -9.126 -12.837 -5.541 411 HD3 LYS 50 1HD LYS 50 -10.386 -12.784 -4.305 412 HE2 LYS 50 2HE LYS 50 -10.759 -13.421 -7.232 413 HE3 LYS 50 1HE LYS 50 -10.839 -14.561 -5.892 414 HZ1 LYS 50 3HZ LYS 50 -12.694 -12.284 -6.332 415 HZ2 LYS 50 1HZ LYS 50 -12.778 -13.386 -5.045 416 HZ3 LYS 50 2HZ LYS 50 -13.041 -13.909 -6.635 417 H GLN 51 H GLN 51 -8.409 -6.905 -5.374 418 HA GLN 51 HA GLN 51 -7.504 -6.568 -2.645 419 HB2 GLN 51 2HB GLN 51 -6.797 -5.091 -5.187 420 HB3 GLN 51 1HB GLN 51 -6.046 -4.801 -3.626 421 HG2 GLN 51 2HG GLN 51 -5.188 -7.077 -3.605 422 HG3 GLN 51 1HG GLN 51 -5.957 -7.381 -5.165 423 HE21 GLN 51 1HE2 GLN 51 -3.963 -7.847 -6.118 424 HE22 GLN 51 2HE2 GLN 51 -2.831 -6.594 -6.508 425 H THR 52 H THR 52 -9.182 -5.727 -1.467 426 HA THR 52 HA THR 52 -10.512 -3.312 -2.409 427 HB THR 52 HB THR 52 -10.887 -4.709 0.242 428 HG1 THR 52 HG1 THR 52 -11.403 -6.239 -1.252 429 HG21 THR 52 3HG2 THR 52 -13.110 -3.650 0.161 430 HG22 THR 52 1HG2 THR 52 -12.666 -2.855 -1.351 431 HG23 THR 52 2HG2 THR 52 -11.812 -2.455 0.140 432 H LEU 53 H LEU 53 -9.289 -1.552 -2.245 433 HA LEU 53 HA LEU 53 -7.326 -1.210 -0.177 434 HB2 LEU 53 2HB LEU 53 -8.333 0.773 -2.222 435 HB3 LEU 53 1HB LEU 53 -6.891 0.948 -1.242 436 HG LEU 53 HG LEU 53 -7.308 -1.173 -3.351 437 HD11 LEU 53 1HD1 LEU 53 -5.705 0.081 -4.668 438 HD12 LEU 53 2HD1 LEU 53 -5.586 1.302 -3.401 439 HD13 LEU 53 3HD1 LEU 53 -7.098 1.092 -4.285 440 HD21 LEU 53 3HD2 LEU 53 -5.832 -1.931 -1.577 441 HD22 LEU 53 1HD2 LEU 53 -4.886 -0.447 -1.706 442 HD23 LEU 53 2HD2 LEU 53 -4.908 -1.598 -3.042 443 H ILE 54 H ILE 54 -8.122 -0.879 1.837 444 HA ILE 54 HA ILE 54 -10.210 1.168 2.151 445 HB ILE 54 HB ILE 54 -9.275 -0.781 4.262 446 HG12 ILE 54 2HG1 ILE 54 -11.669 -0.981 2.418 447 HG13 ILE 54 1HG1 ILE 54 -10.241 -2.008 2.356 448 HG21 ILE 54 1HG2 ILE 54 -11.737 0.951 4.043 449 HG22 ILE 54 2HG2 ILE 54 -10.356 1.241 5.101 450 HG23 ILE 54 3HG2 ILE 54 -11.383 -0.170 5.358 451 HD11 ILE 54 3HD1 ILE 54 -12.126 -3.117 3.437 452 HD12 ILE 54 1HD1 ILE 54 -12.177 -1.843 4.654 453 HD13 ILE 54 2HD1 ILE 54 -10.773 -2.906 4.549 454 H VAL 55 H VAL 55 -9.192 3.072 2.248 455 HA VAL 55 HA VAL 55 -6.741 3.292 3.850 456 HB VAL 55 HB VAL 55 -7.882 5.223 1.819 457 HG11 VAL 55 1HG1 VAL 55 -6.592 6.370 3.539 458 HG12 VAL 55 2HG1 VAL 55 -5.723 6.371 2.004 459 HG13 VAL 55 3HG1 VAL 55 -5.246 5.258 3.286 460 HG21 VAL 55 3HG2 VAL 55 -5.541 3.330 1.618 461 HG22 VAL 55 1HG2 VAL 55 -6.005 4.524 0.404 462 HG23 VAL 55 2HG2 VAL 55 -7.081 3.176 0.772 463 H ASP 56 H ASP 56 -7.051 3.910 5.859 464 HA ASP 56 HA ASP 56 -7.611 5.173 7.655 465 HB2 ASP 56 2HB ASP 56 -7.229 7.008 5.785 466 HB3 ASP 56 1HB ASP 56 -8.966 7.227 5.957 467 H GLY 57 H GLY 57 -9.500 3.273 6.299 468 HA2 GLY 57 2HA GLY 57 -11.500 2.419 7.219 469 HA3 GLY 57 1HA GLY 57 -11.852 4.012 7.871 470 H ILE 58 H ILE 58 -10.912 4.648 4.839 471 HA ILE 58 HA ILE 58 -13.663 4.492 3.797 472 HB ILE 58 HB ILE 58 -11.426 6.378 3.019 473 HG12 ILE 58 2HG1 ILE 58 -12.379 6.912 5.209 474 HG13 ILE 58 1HG1 ILE 58 -12.845 8.125 4.021 475 HG21 ILE 58 1HG2 ILE 58 -14.271 6.237 2.032 476 HG22 ILE 58 2HG2 ILE 58 -12.818 5.864 1.105 477 HG23 ILE 58 3HG2 ILE 58 -13.118 7.515 1.649 478 HD11 ILE 58 3HD1 ILE 58 -15.042 7.074 3.820 479 HD12 ILE 58 1HD1 ILE 58 -14.699 7.570 5.477 480 HD13 ILE 58 2HD1 ILE 58 -14.570 5.870 5.021 481 H VAL 59 H VAL 59 -13.962 2.953 2.322 482 HA VAL 59 HA VAL 59 -11.855 1.621 0.985 483 HB VAL 59 HB VAL 59 -13.941 0.467 1.360 484 HG11 VAL 59 1HG1 VAL 59 -15.486 2.336 1.246 485 HG12 VAL 59 2HG1 VAL 59 -15.999 1.046 0.158 486 HG13 VAL 59 3HG1 VAL 59 -15.209 2.484 -0.489 487 HG21 VAL 59 3HG2 VAL 59 -14.349 -0.450 -0.873 488 HG22 VAL 59 1HG2 VAL 59 -12.625 -0.240 -0.558 489 HG23 VAL 59 2HG2 VAL 59 -13.480 0.908 -1.587 490 H ILE 60 H ILE 60 -10.681 2.300 -0.645 491 HA ILE 60 HA ILE 60 -11.662 4.541 -2.266 492 HB ILE 60 HB ILE 60 -8.839 3.490 -2.000 493 HG12 ILE 60 2HG1 ILE 60 -9.642 4.508 0.087 494 HG13 ILE 60 1HG1 ILE 60 -8.409 5.508 -0.673 495 HG21 ILE 60 1HG2 ILE 60 -9.238 4.550 -4.147 496 HG22 ILE 60 2HG2 ILE 60 -8.197 5.563 -3.145 497 HG23 ILE 60 3HG2 ILE 60 -9.903 5.971 -3.343 498 HD11 ILE 60 3HD1 ILE 60 -10.155 6.983 -1.543 499 HD12 ILE 60 1HD1 ILE 60 -10.201 6.869 0.216 500 HD13 ILE 60 2HD1 ILE 60 -11.379 5.988 -0.756 501 H LEU 61 H LEU 61 -12.764 3.745 -3.944 502 HA LEU 61 HA LEU 61 -11.694 1.452 -5.407 503 HB2 LEU 61 2HB LEU 61 -14.347 2.883 -5.618 504 HB3 LEU 61 1HB LEU 61 -13.882 1.499 -6.588 505 HG LEU 61 HG LEU 61 -14.193 1.494 -3.585 506 HD11 LEU 61 1HD1 LEU 61 -15.933 0.305 -5.738 507 HD12 LEU 61 2HD1 LEU 61 -16.322 1.721 -4.763 508 HD13 LEU 61 3HD1 LEU 61 -16.169 0.140 -3.998 509 HD21 LEU 61 3HD2 LEU 61 -13.604 -0.735 -5.530 510 HD22 LEU 61 1HD2 LEU 61 -13.954 -0.943 -3.814 511 HD23 LEU 61 2HD2 LEU 61 -12.500 -0.082 -4.321 512 H ARG 62 H ARG 62 -11.026 4.544 -5.424 513 HA ARG 62 HA ARG 62 -11.232 4.991 -8.302 514 HB2 ARG 62 2HB ARG 62 -10.457 6.777 -6.004 515 HB3 ARG 62 1HB ARG 62 -10.233 7.253 -7.680 516 HG2 ARG 62 2HG ARG 62 -12.853 6.564 -6.369 517 HG3 ARG 62 1HG ARG 62 -12.280 8.183 -6.781 518 HD2 ARG 62 2HD ARG 62 -12.094 7.311 -9.175 519 HD3 ARG 62 1HD ARG 62 -13.067 5.949 -8.624 520 HE ARG 62 HE ARG 62 -14.511 8.084 -7.828 521 HH11 ARG 62 1HH1 ARG 62 -13.158 7.077 -10.902 522 HH12 ARG 62 2HH1 ARG 62 -14.305 7.994 -11.840 523 HH21 ARG 62 1HH2 ARG 62 -16.042 9.246 -9.055 524 HH22 ARG 62 2HH2 ARG 62 -15.950 9.199 -10.796 525 H GLU 63 H GLU 63 -9.721 3.608 -9.141 526 HA GLU 63 HA GLU 63 -7.053 3.449 -8.072 527 HB2 GLU 63 2HB GLU 63 -8.169 2.372 -10.669 528 HB3 GLU 63 1HB GLU 63 -6.667 1.879 -9.894 529 HG2 GLU 63 2HG GLU 63 -7.786 0.792 -8.154 530 HG3 GLU 63 1HG GLU 63 -9.307 1.612 -8.502 531 H ASP 64 H ASP 64 -8.647 5.601 -10.054 532 HA ASP 64 HA ASP 64 -6.514 6.191 -11.893 533 HB2 ASP 64 2HB ASP 64 -8.886 6.484 -12.511 534 HB3 ASP 64 1HB ASP 64 -9.047 7.731 -11.283 535 H LEU 65 H LEU 65 -7.154 6.991 -8.683 536 HA LEU 65 HA LEU 65 -5.941 9.621 -8.775 537 HB2 LEU 65 2HB LEU 65 -6.850 7.919 -6.451 538 HB3 LEU 65 1HB LEU 65 -6.191 9.536 -6.294 539 HG LEU 65 HG LEU 65 -8.747 8.806 -7.728 540 HD11 LEU 65 1HD1 LEU 65 -8.956 8.621 -5.319 541 HD12 LEU 65 2HD1 LEU 65 -9.829 10.036 -5.907 542 HD13 LEU 65 3HD1 LEU 65 -8.265 10.230 -5.116 543 HD21 LEU 65 3HD2 LEU 65 -9.080 11.224 -7.916 544 HD22 LEU 65 1HD2 LEU 65 -7.636 10.698 -8.783 545 HD23 LEU 65 2HD2 LEU 65 -7.484 11.499 -7.219 546 H THR 66 H THR 66 -3.967 10.168 -7.780 547 HA THR 66 HA THR 66 -2.011 8.018 -7.810 548 HB THR 66 HB THR 66 -0.337 9.841 -7.589 549 HG1 THR 66 HG1 THR 66 -1.142 12.023 -7.784 550 HG21 THR 66 3HG2 THR 66 -0.692 10.825 -9.815 551 HG22 THR 66 1HG2 THR 66 -2.359 10.245 -9.799 552 HG23 THR 66 2HG2 THR 66 -1.024 9.092 -9.810 553 H VAL 67 H VAL 67 -0.281 8.104 -6.104 554 HA VAL 67 HA VAL 67 -1.389 7.834 -3.516 555 HB VAL 67 HB VAL 67 1.489 8.062 -4.412 556 HG11 VAL 67 1HG1 VAL 67 0.401 7.130 -1.760 557 HG12 VAL 67 2HG1 VAL 67 1.303 8.619 -2.042 558 HG13 VAL 67 3HG1 VAL 67 2.085 7.053 -2.266 559 HG21 VAL 67 3HG2 VAL 67 0.354 6.164 -5.375 560 HG22 VAL 67 1HG2 VAL 67 -0.248 5.680 -3.789 561 HG23 VAL 67 2HG2 VAL 67 1.480 5.611 -4.136 562 H GLU 68 H GLU 68 0.160 10.477 -5.207 563 HA GLU 68 HA GLU 68 0.546 12.165 -2.954 564 HB2 GLU 68 2HB GLU 68 1.778 12.533 -5.018 565 HB3 GLU 68 1HB GLU 68 0.278 12.836 -5.886 566 HG2 GLU 68 2HG GLU 68 -0.115 14.822 -4.522 567 HG3 GLU 68 1HG GLU 68 1.383 14.514 -3.642 568 H GLN 69 H GLN 69 -2.054 11.859 -5.349 569 HA GLN 69 HA GLN 69 -3.665 13.975 -4.534 570 HB2 GLN 69 2HB GLN 69 -4.281 11.308 -5.770 571 HB3 GLN 69 1HB GLN 69 -5.577 12.412 -5.338 572 HG2 GLN 69 2HG GLN 69 -3.294 13.149 -7.148 573 HG3 GLN 69 1HG GLN 69 -4.833 12.506 -7.720 574 HE21 GLN 69 1HE2 GLN 69 -5.386 14.324 -8.861 575 HE22 GLN 69 2HE2 GLN 69 -5.841 15.807 -8.087 576 H CYS 70 H CYS 70 -3.296 10.771 -3.162 577 HA CYS 70 HA CYS 70 -5.521 11.170 -1.341 578 HB2 CYS 70 2HB CYS 70 -3.600 8.845 -1.509 579 HB3 CYS 70 1HB CYS 70 -5.155 8.874 -0.684 580 HG CYS 70 HG CYS 70 -4.548 8.771 -4.038 581 H GLN 71 H GLN 71 -2.230 11.868 -1.396 582 HA GLN 71 HA GLN 71 -0.629 12.362 0.145 583 HB2 GLN 71 2HB GLN 71 -3.098 13.001 1.769 584 HB3 GLN 71 1HB GLN 71 -1.465 13.377 2.298 585 HG2 GLN 71 2HG GLN 71 -2.760 14.427 -0.210 586 HG3 GLN 71 1HG GLN 71 -2.621 15.305 1.312 587 HE21 GLN 71 1HE2 GLN 71 -1.588 16.015 -1.296 588 HE22 GLN 71 2HE2 GLN 71 0.130 16.155 -1.119 589 H ILE 72 H ILE 72 -0.888 9.729 -0.084 590 HA ILE 72 HA ILE 72 -1.642 8.345 2.269 591 HB ILE 72 HB ILE 72 0.133 7.447 -0.001 592 HG12 ILE 72 2HG1 ILE 72 -2.800 6.970 0.576 593 HG13 ILE 72 1HG1 ILE 72 -2.155 8.025 -0.677 594 HG21 ILE 72 1HG2 ILE 72 -1.178 5.818 2.172 595 HG22 ILE 72 2HG2 ILE 72 0.550 6.125 2.006 596 HG23 ILE 72 3HG2 ILE 72 -0.296 5.170 0.788 597 HD11 ILE 72 3HD1 ILE 72 -2.934 5.892 -1.570 598 HD12 ILE 72 1HD1 ILE 72 -1.778 5.043 -0.547 599 HD13 ILE 72 2HD1 ILE 72 -1.204 6.114 -1.824 600 H VAL 73 H VAL 73 -0.661 8.285 4.114 601 HA VAL 73 HA VAL 73 2.273 8.449 4.219 602 HB VAL 73 HB VAL 73 2.008 9.496 6.484 603 HG11 VAL 73 1HG1 VAL 73 2.570 10.864 4.557 604 HG12 VAL 73 2HG1 VAL 73 1.494 11.750 5.639 605 HG13 VAL 73 3HG1 VAL 73 0.861 11.037 4.155 606 HG21 VAL 73 3HG2 VAL 73 -0.867 9.817 5.623 607 HG22 VAL 73 1HG2 VAL 73 -0.127 10.565 7.038 608 HG23 VAL 73 2HG2 VAL 73 -0.284 8.810 6.949 609 HA PRO 74 HA PRO 74 2.159 4.546 6.221 610 HB2 PRO 74 2HB PRO 74 4.261 4.748 7.953 611 HB3 PRO 74 1HB PRO 74 4.444 4.512 6.211 612 HG2 PRO 74 2HG PRO 74 4.652 7.026 7.816 613 HG3 PRO 74 1HG PRO 74 5.665 6.466 6.471 614 HD2 PRO 74 2HD PRO 74 3.734 8.326 6.152 615 HD3 PRO 74 1HD PRO 74 4.149 7.162 4.877 616 H THR 75 H THR 75 1.650 7.405 7.992 617 HA THR 75 HA THR 75 1.156 6.066 10.517 618 HB THR 75 HB THR 75 0.376 8.513 11.083 619 HG1 THR 75 HG1 THR 75 0.765 9.946 9.568 620 HG21 THR 75 3HG2 THR 75 2.358 7.448 12.018 621 HG22 THR 75 1HG2 THR 75 2.711 9.116 11.568 622 HG23 THR 75 2HG2 THR 75 3.255 7.789 10.540 623 H SER 76 H SER 76 -0.575 6.599 7.712 624 HA SER 76 HA SER 76 -3.148 7.060 8.963 625 HB2 SER 76 2HB SER 76 -2.598 8.007 6.725 626 HB3 SER 76 1HB SER 76 -2.495 6.370 6.082 627 HG SER 76 HG SER 76 -4.837 7.280 7.388 628 H ASP 77 H ASP 77 -4.787 5.540 9.200 629 HA ASP 77 HA ASP 77 -3.878 2.834 9.516 630 HB2 ASP 77 2HB ASP 77 -5.453 3.884 11.121 631 HB3 ASP 77 1HB ASP 77 -6.670 3.956 9.849 632 H ILE 78 H ILE 78 -3.460 1.946 7.552 633 HA ILE 78 HA ILE 78 -5.704 1.803 5.650 634 HB ILE 78 HB ILE 78 -2.748 1.493 5.081 635 HG12 ILE 78 2HG1 ILE 78 -4.646 3.748 4.385 636 HG13 ILE 78 1HG1 ILE 78 -3.405 3.813 5.631 637 HG21 ILE 78 1HG2 ILE 78 -3.400 1.489 2.725 638 HG22 ILE 78 2HG2 ILE 78 -5.099 1.562 3.191 639 HG23 ILE 78 3HG2 ILE 78 -4.136 0.141 3.593 640 HD11 ILE 78 3HD1 ILE 78 -1.687 3.518 3.912 641 HD12 ILE 78 1HD1 ILE 78 -2.671 4.957 3.640 642 HD13 ILE 78 2HD1 ILE 78 -2.945 3.504 2.675 643 H GLN 79 H GLN 79 -6.463 -0.150 5.052 644 HA GLN 79 HA GLN 79 -4.940 -2.540 5.766 645 HB2 GLN 79 2HB GLN 79 -7.022 -3.610 6.656 646 HB3 GLN 79 1HB GLN 79 -6.389 -2.316 7.659 647 HG2 GLN 79 2HG GLN 79 -8.499 -1.677 5.660 648 HG3 GLN 79 1HG GLN 79 -8.949 -2.513 7.145 649 HE21 GLN 79 1HE2 GLN 79 -6.915 -1.230 8.735 650 HE22 GLN 79 2HE2 GLN 79 -7.446 0.400 8.998 651 H LEU 80 H LEU 80 -5.760 -4.489 4.705 652 HA LEU 80 HA LEU 80 -7.129 -3.838 2.181 653 HB2 LEU 80 2HB LEU 80 -5.041 -5.951 2.724 654 HB3 LEU 80 1HB LEU 80 -5.932 -5.803 1.223 655 HG LEU 80 HG LEU 80 -3.973 -3.812 2.353 656 HD11 LEU 80 1HD1 LEU 80 -2.678 -4.367 0.354 657 HD12 LEU 80 2HD1 LEU 80 -3.890 -5.567 -0.097 658 HD13 LEU 80 3HD1 LEU 80 -2.939 -5.781 1.374 659 HD21 LEU 80 3HD2 LEU 80 -5.803 -2.645 1.259 660 HD22 LEU 80 1HD2 LEU 80 -5.630 -3.674 -0.164 661 HD23 LEU 80 2HD2 LEU 80 -4.340 -2.557 0.280 662 H GLU 81 H GLU 81 -9.024 -4.775 1.873 663 HA GLU 81 HA GLU 81 -9.729 -7.124 3.478 664 HB2 GLU 81 2HB GLU 81 -11.317 -5.280 3.581 665 HB3 GLU 81 1HB GLU 81 -11.451 -5.264 1.830 666 HG2 GLU 81 2HG GLU 81 -12.369 -7.568 1.942 667 HG3 GLU 81 1HG GLU 81 -12.366 -7.432 3.700 668 H VAL 82 H VAL 82 -9.465 -9.037 2.557 669 HA VAL 82 HA VAL 82 -9.065 -9.260 -0.294 670 HB VAL 82 HB VAL 82 -9.100 -11.439 1.805 671 HG11 VAL 82 1HG1 VAL 82 -9.501 -12.290 -0.451 672 HG12 VAL 82 2HG1 VAL 82 -7.915 -12.783 0.141 673 HG13 VAL 82 3HG1 VAL 82 -8.051 -11.466 -1.025 674 HG21 VAL 82 3HG2 VAL 82 -7.349 -9.793 2.242 675 HG22 VAL 82 1HG2 VAL 82 -6.766 -9.967 0.585 676 HG23 VAL 82 2HG2 VAL 82 -6.662 -11.325 1.704 677 H SER 83 H SER 83 -10.880 -9.104 -1.460 678 HA SER 83 HA SER 83 -13.387 -10.190 -0.583 679 HB2 SER 83 2HB SER 83 -13.326 -8.175 -1.985 680 HB3 SER 83 1HB SER 83 -12.548 -9.087 -3.279 681 HG SER 83 HG SER 83 -15.198 -8.979 -2.529 682 H SER 84 H SER 84 -13.472 -12.363 -0.433 683 HA SER 84 HA SER 84 -12.170 -14.066 -2.353 684 HB2 SER 84 2HB SER 84 -14.125 -14.784 -0.151 685 HB3 SER 84 1HB SER 84 -13.063 -15.900 -1.014 686 HG SER 84 HG SER 84 -11.700 -13.801 0.063 Start of MODEL 17 1 H1 MET 1 1H MET 1 12.067 22.166 18.194 2 H2 MET 1 2H MET 1 12.245 22.243 16.512 3 H3 MET 1 3H MET 1 13.540 21.732 17.482 4 HA MET 1 HA MET 1 12.285 19.794 18.179 5 HB2 MET 1 2HB MET 1 10.277 20.827 16.161 6 HB3 MET 1 1HB MET 1 10.236 19.216 16.866 7 HG2 MET 1 2HG MET 1 9.978 20.225 19.093 8 HG3 MET 1 1HG MET 1 9.961 21.821 18.348 9 HE1 MET 1 3HE MET 1 7.656 22.336 19.578 10 HE2 MET 1 1HE MET 1 7.689 20.727 20.302 11 HE3 MET 1 2HE MET 1 6.241 21.290 19.468 12 H GLY 2 H GLY 2 12.162 21.010 14.823 13 HA2 GLY 2 2HA GLY 2 14.357 20.015 13.723 14 HA3 GLY 2 1HA GLY 2 13.419 18.540 13.907 15 H HIS 3 H HIS 3 14.333 20.535 11.644 16 HA HIS 3 HA HIS 3 11.834 21.129 10.349 17 HB2 HIS 3 2HB HIS 3 14.712 21.343 9.487 18 HB3 HIS 3 1HB HIS 3 13.391 21.626 8.361 19 HD1 HIS 3 HD1 HIS 3 15.552 23.752 9.578 20 HD2 HIS 3 HD2 HIS 3 11.512 23.362 10.509 21 HE1 HIS 3 HE1 HIS 3 14.831 25.999 10.457 22 HE2 HIS 3 HE2 HIS 3 12.419 25.693 11.138 23 H HIS 4 H HIS 4 10.747 19.243 10.117 24 HA HIS 4 HA HIS 4 11.976 16.995 8.759 25 HB2 HIS 4 2HB HIS 4 9.737 15.905 9.100 26 HB3 HIS 4 1HB HIS 4 10.534 16.408 10.583 27 HD1 HIS 4 HD1 HIS 4 7.408 16.732 8.721 28 HD2 HIS 4 HD2 HIS 4 9.371 18.807 11.744 29 HE1 HIS 4 HE1 HIS 4 5.665 18.211 9.774 30 HE2 HIS 4 HE2 HIS 4 6.843 19.352 11.694 31 H HIS 5 H HIS 5 11.902 16.664 6.657 32 HA HIS 5 HA HIS 5 10.279 18.514 5.052 33 HB2 HIS 5 2HB HIS 5 12.841 17.038 4.466 34 HB3 HIS 5 1HB HIS 5 11.909 17.837 3.208 35 HD1 HIS 5 HD1 HIS 5 14.495 18.439 5.709 36 HD2 HIS 5 HD2 HIS 5 11.706 20.718 3.620 37 HE1 HIS 5 HE1 HIS 5 15.267 20.825 5.917 38 HE2 HIS 5 HE2 HIS 5 13.671 22.152 4.485 39 H HIS 6 H HIS 6 8.727 17.822 3.749 40 HA HIS 6 HA HIS 6 8.355 14.966 3.257 41 HB2 HIS 6 2HB HIS 6 6.734 17.435 2.721 42 HB3 HIS 6 1HB HIS 6 6.397 15.968 1.816 43 HD1 HIS 6 HD1 HIS 6 5.909 17.562 5.119 44 HD2 HIS 6 HD2 HIS 6 5.349 13.838 3.360 45 HE1 HIS 6 HE1 HIS 6 4.422 16.289 6.689 46 HE2 HIS 6 HE2 HIS 6 3.847 14.183 5.440 47 H HIS 7 H HIS 7 10.483 16.940 2.126 48 HA HIS 7 HA HIS 7 9.886 16.944 -0.700 49 HB2 HIS 7 2HB HIS 7 10.911 18.904 0.470 50 HB3 HIS 7 1HB HIS 7 12.365 17.944 0.709 51 HD1 HIS 7 HD1 HIS 7 14.100 18.325 -0.980 52 HD2 HIS 7 HD2 HIS 7 10.290 19.070 -2.486 53 HE1 HIS 7 HE1 HIS 7 14.445 19.192 -3.323 54 HE2 HIS 7 HE2 HIS 7 12.132 19.685 -4.195 55 H HIS 8 H HIS 8 9.874 14.545 -0.674 56 HA HIS 8 HA HIS 8 11.903 13.666 -2.327 57 HB2 HIS 8 2HB HIS 8 13.226 12.137 -1.087 58 HB3 HIS 8 1HB HIS 8 13.226 13.612 -0.134 59 HD1 HIS 8 HD1 HIS 8 12.660 10.064 0.106 60 HD2 HIS 8 HD2 HIS 8 11.356 13.432 2.157 61 HE1 HIS 8 HE1 HIS 8 11.734 9.211 2.275 62 HE2 HIS 8 HE2 HIS 8 11.234 11.287 3.599 63 H SER 9 H SER 9 11.129 11.932 -3.453 64 HA SER 9 HA SER 9 8.569 10.905 -2.493 65 HB2 SER 9 2HB SER 9 8.203 10.247 -4.868 66 HB3 SER 9 1HB SER 9 8.468 11.977 -4.656 67 HG SER 9 HG SER 9 10.027 10.060 -5.909 68 H HIS 10 H HIS 10 8.922 9.193 -1.249 69 HA HIS 10 HA HIS 10 9.290 6.680 -2.355 70 HB2 HIS 10 2HB HIS 10 11.796 7.941 -1.831 71 HB3 HIS 10 1HB HIS 10 11.586 6.653 -0.648 72 HD1 HIS 10 HD1 HIS 10 11.481 7.149 -4.413 73 HD2 HIS 10 HD2 HIS 10 12.179 4.171 -1.598 74 HE1 HIS 10 HE1 HIS 10 12.229 5.137 -5.724 75 HE2 HIS 10 HE2 HIS 10 12.862 3.433 -3.983 76 H MET 11 H MET 11 7.812 5.749 -1.095 77 HA MET 11 HA MET 11 7.912 6.289 1.806 78 HB2 MET 11 2HB MET 11 5.522 5.924 0.002 79 HB3 MET 11 1HB MET 11 5.426 5.920 1.756 80 HG2 MET 11 2HG MET 11 6.208 8.203 1.835 81 HG3 MET 11 1HG MET 11 6.423 8.213 0.085 82 HE1 MET 11 3HE MET 11 3.477 6.445 1.960 83 HE2 MET 11 1HE MET 11 2.296 7.748 2.094 84 HE3 MET 11 2HE MET 11 3.810 7.834 2.995 85 H LYS 12 H LYS 12 6.982 4.627 3.158 86 HA LYS 12 HA LYS 12 6.539 2.004 1.917 87 HB2 LYS 12 2HB LYS 12 8.077 2.480 4.481 88 HB3 LYS 12 1HB LYS 12 7.593 0.907 3.871 89 HG2 LYS 12 2HG LYS 12 9.015 1.294 1.886 90 HG3 LYS 12 1HG LYS 12 9.555 2.807 2.617 91 HD2 LYS 12 2HD LYS 12 9.847 0.105 3.925 92 HD3 LYS 12 1HD LYS 12 11.107 0.868 2.959 93 HE2 LYS 12 2HE LYS 12 11.642 1.341 5.202 94 HE3 LYS 12 1HE LYS 12 10.957 2.827 4.556 95 HZ1 LYS 12 3HZ LYS 12 9.484 0.846 6.220 96 HZ2 LYS 12 1HZ LYS 12 8.877 2.321 5.643 97 HZ3 LYS 12 2HZ LYS 12 10.131 2.308 6.778 98 H PHE 13 H PHE 13 4.338 2.024 2.164 99 HA PHE 13 HA PHE 13 3.279 2.852 4.760 100 HB2 PHE 13 2HB PHE 13 1.086 2.915 3.715 101 HB3 PHE 13 1HB PHE 13 2.233 3.845 2.763 102 HD1 PHE 13 HD1 PHE 13 3.338 2.523 0.767 103 HD2 PHE 13 HD2 PHE 13 -0.331 1.465 2.650 104 HE1 PHE 13 HE1 PHE 13 2.665 1.283 -1.247 105 HE2 PHE 13 HE2 PHE 13 -1.005 0.220 0.641 106 HZ PHE 13 HZ PHE 13 0.492 0.127 -1.311 107 H LEU 14 H LEU 14 2.407 1.499 6.176 108 HA LEU 14 HA LEU 14 3.033 -1.254 5.967 109 HB2 LEU 14 2HB LEU 14 3.035 -0.048 8.103 110 HB3 LEU 14 1HB LEU 14 1.304 0.191 7.977 111 HG LEU 14 HG LEU 14 0.978 -2.259 8.102 112 HD11 LEU 14 1HD1 LEU 14 3.949 -2.315 8.621 113 HD12 LEU 14 2HD1 LEU 14 3.125 -2.976 7.209 114 HD13 LEU 14 3HD1 LEU 14 2.844 -3.679 8.801 115 HD21 LEU 14 3HD2 LEU 14 0.841 -0.861 10.105 116 HD22 LEU 14 1HD2 LEU 14 2.568 -1.093 10.382 117 HD23 LEU 14 2HD2 LEU 14 1.467 -2.469 10.473 118 H VAL 15 H VAL 15 1.993 -2.445 4.518 119 HA VAL 15 HA VAL 15 -0.877 -2.215 4.152 120 HB VAL 15 HB VAL 15 1.054 -4.199 2.926 121 HG11 VAL 15 1HG1 VAL 15 -1.739 -3.385 2.136 122 HG12 VAL 15 2HG1 VAL 15 -1.253 -4.933 2.828 123 HG13 VAL 15 3HG1 VAL 15 -0.691 -4.472 1.221 124 HG21 VAL 15 3HG2 VAL 15 0.072 -1.560 1.847 125 HG22 VAL 15 1HG2 VAL 15 1.018 -2.745 0.947 126 HG23 VAL 15 2HG2 VAL 15 1.719 -1.941 2.351 127 H GLU 16 H GLU 16 -2.119 -3.138 5.668 128 HA GLU 16 HA GLU 16 -1.221 -5.682 6.824 129 HB2 GLU 16 2HB GLU 16 -1.587 -3.783 8.398 130 HB3 GLU 16 1HB GLU 16 -3.278 -3.754 7.914 131 HG2 GLU 16 2HG GLU 16 -3.791 -5.631 9.076 132 HG3 GLU 16 1HG GLU 16 -2.186 -6.331 8.873 133 H ASN 17 H ASN 17 -2.485 -7.461 6.730 134 HA ASN 17 HA ASN 17 -4.969 -7.275 5.157 135 HB2 ASN 17 2HB ASN 17 -2.891 -8.050 3.862 136 HB3 ASN 17 1HB ASN 17 -2.942 -9.497 4.858 137 HD21 ASN 17 1HD2 ASN 17 -3.147 -9.399 2.055 138 HD22 ASN 17 2HD2 ASN 17 -4.705 -10.004 1.611 139 H LEU 18 H LEU 18 -6.590 -8.697 5.777 140 HA LEU 18 HA LEU 18 -6.392 -9.842 8.396 141 HB2 LEU 18 2HB LEU 18 -8.479 -8.852 7.439 142 HB3 LEU 18 1HB LEU 18 -8.569 -10.208 6.333 143 HG LEU 18 HG LEU 18 -8.799 -11.747 8.254 144 HD11 LEU 18 1HD1 LEU 18 -9.235 -10.829 10.482 145 HD12 LEU 18 2HD1 LEU 18 -8.869 -9.210 9.885 146 HD13 LEU 18 3HD1 LEU 18 -7.607 -10.443 9.926 147 HD21 LEU 18 3HD2 LEU 18 -11.075 -11.091 8.874 148 HD22 LEU 18 1HD2 LEU 18 -10.789 -10.891 7.145 149 HD23 LEU 18 2HD2 LEU 18 -10.791 -9.483 8.208 150 H ASN 19 H ASN 19 -6.215 -10.987 5.103 151 HA ASN 19 HA ASN 19 -5.337 -13.601 6.130 152 HB2 ASN 19 2HB ASN 19 -7.075 -13.065 3.718 153 HB3 ASN 19 1HB ASN 19 -6.205 -14.573 3.938 154 HD21 ASN 19 1HD2 ASN 19 -8.890 -12.637 4.936 155 HD22 ASN 19 2HD2 ASN 19 -9.646 -13.832 5.931 156 H GLY 20 H GLY 20 -3.235 -12.638 6.072 157 HA2 GLY 20 2HA GLY 20 -1.713 -13.208 3.813 158 HA3 GLY 20 1HA GLY 20 -2.110 -11.496 3.741 159 H SER 21 H SER 21 -0.506 -10.276 4.488 160 HA SER 21 HA SER 21 0.594 -10.814 7.101 161 HB2 SER 21 2HB SER 21 2.011 -12.184 5.545 162 HB3 SER 21 1HB SER 21 2.467 -10.693 4.720 163 HG SER 21 HG SER 21 3.270 -11.702 7.174 164 H SER 22 H SER 22 1.577 -8.990 8.029 165 HA SER 22 HA SER 22 0.872 -6.464 6.808 166 HB2 SER 22 2HB SER 22 2.299 -6.971 9.432 167 HB3 SER 22 1HB SER 22 1.483 -5.488 8.938 168 HG SER 22 HG SER 22 -0.219 -6.327 9.839 169 H PHE 23 H PHE 23 2.222 -5.322 5.554 170 HA PHE 23 HA PHE 23 5.112 -5.507 5.950 171 HB2 PHE 23 2HB PHE 23 4.663 -7.320 4.398 172 HB3 PHE 23 1HB PHE 23 3.709 -6.256 3.375 173 HD1 PHE 23 HD1 PHE 23 7.158 -6.709 4.701 174 HD2 PHE 23 HD2 PHE 23 4.697 -5.197 1.575 175 HE1 PHE 23 HE1 PHE 23 9.163 -6.199 3.372 176 HE2 PHE 23 HE2 PHE 23 6.699 -4.684 0.240 177 HZ PHE 23 HZ PHE 23 8.936 -5.186 1.139 178 H GLU 24 H GLU 24 6.034 -3.542 5.706 179 HA GLU 24 HA GLU 24 4.514 -1.327 4.674 180 HB2 GLU 24 2HB GLU 24 7.450 -1.482 5.387 181 HB3 GLU 24 1HB GLU 24 6.558 -0.008 5.051 182 HG2 GLU 24 2HG GLU 24 5.124 -0.506 7.018 183 HG3 GLU 24 1HG GLU 24 6.186 -1.867 7.385 184 H LEU 25 H LEU 25 4.113 -1.351 2.545 185 HA LEU 25 HA LEU 25 6.068 -2.439 0.709 186 HB2 LEU 25 2HB LEU 25 3.626 -2.914 0.521 187 HB3 LEU 25 1HB LEU 25 3.366 -1.228 0.125 188 HG LEU 25 HG LEU 25 5.292 -2.717 -1.574 189 HD11 LEU 25 1HD1 LEU 25 3.455 -3.625 -2.936 190 HD12 LEU 25 2HD1 LEU 25 2.311 -3.135 -1.688 191 HD13 LEU 25 3HD1 LEU 25 3.530 -4.356 -1.334 192 HD21 LEU 25 3HD2 LEU 25 4.220 -1.365 -3.322 193 HD22 LEU 25 1HD2 LEU 25 4.820 -0.367 -1.997 194 HD23 LEU 25 2HD2 LEU 25 3.095 -0.720 -2.125 195 H GLU 26 H GLU 26 7.376 -1.323 -0.579 196 HA GLU 26 HA GLU 26 7.620 1.513 -0.163 197 HB2 GLU 26 2HB GLU 26 9.632 0.149 -0.276 198 HB3 GLU 26 1HB GLU 26 9.206 -0.388 -1.896 199 HG2 GLU 26 2HG GLU 26 9.484 1.842 -2.759 200 HG3 GLU 26 1HG GLU 26 9.782 2.464 -1.137 201 H VAL 27 H VAL 27 6.776 3.041 -1.368 202 HA VAL 27 HA VAL 27 6.160 2.537 -4.180 203 HB VAL 27 HB VAL 27 4.098 2.061 -2.810 204 HG11 VAL 27 1HG1 VAL 27 2.875 3.955 -1.854 205 HG12 VAL 27 2HG1 VAL 27 4.241 5.010 -2.211 206 HG13 VAL 27 3HG1 VAL 27 4.422 3.693 -1.050 207 HG21 VAL 27 3HG2 VAL 27 2.576 3.372 -4.213 208 HG22 VAL 27 1HG2 VAL 27 3.906 2.683 -5.146 209 HG23 VAL 27 2HG2 VAL 27 3.925 4.393 -4.711 210 H ASP 28 H ASP 28 5.852 4.557 -5.388 211 HA ASP 28 HA ASP 28 7.199 6.818 -4.068 212 HB2 ASP 28 2HB ASP 28 8.211 5.886 -6.184 213 HB3 ASP 28 1HB ASP 28 6.757 6.395 -7.035 214 H TYR 29 H TYR 29 6.344 8.949 -4.423 215 HA TYR 29 HA TYR 29 3.562 9.158 -4.080 216 HB2 TYR 29 2HB TYR 29 5.665 11.210 -4.778 217 HB3 TYR 29 1HB TYR 29 3.980 11.632 -4.521 218 HD1 TYR 29 HD2 TYR 29 6.972 10.204 -2.864 219 HD2 TYR 29 HD1 TYR 29 3.116 11.916 -2.344 220 HE1 TYR 29 HE2 TYR 29 7.402 10.426 -0.455 221 HE2 TYR 29 HE1 TYR 29 3.535 12.139 0.067 222 HH TYR 29 HH TYR 29 4.977 11.091 1.788 223 H ARG 30 H ARG 30 5.537 9.002 -6.888 224 HA ARG 30 HA ARG 30 3.730 10.347 -8.677 225 HB2 ARG 30 2HB ARG 30 6.278 10.162 -8.832 226 HB3 ARG 30 1HB ARG 30 6.013 8.536 -9.438 227 HG2 ARG 30 2HG ARG 30 4.733 9.444 -11.310 228 HG3 ARG 30 1HG ARG 30 5.005 11.076 -10.696 229 HD2 ARG 30 2HD ARG 30 7.471 10.613 -10.850 230 HD3 ARG 30 1HD ARG 30 7.066 9.124 -11.702 231 HE ARG 30 HE ARG 30 5.754 11.118 -13.069 232 HH11 ARG 30 1HH1 ARG 30 9.075 10.361 -12.243 233 HH12 ARG 30 2HH1 ARG 30 9.748 11.222 -13.594 234 HH21 ARG 30 1HH2 ARG 30 6.633 12.238 -14.868 235 HH22 ARG 30 2HH2 ARG 30 8.357 12.268 -15.106 236 H ASP 31 H ASP 31 3.705 7.282 -7.299 237 HA ASP 31 HA ASP 31 2.701 5.882 -9.632 238 HB2 ASP 31 2HB ASP 31 3.013 5.019 -6.749 239 HB3 ASP 31 1HB ASP 31 2.357 3.983 -8.011 240 H THR 32 H THR 32 0.596 5.101 -9.898 241 HA THR 32 HA THR 32 -1.440 6.667 -8.531 242 HB THR 32 HB THR 32 -3.004 5.675 -10.175 243 HG1 THR 32 HG1 THR 32 -1.902 4.504 -11.965 244 HG21 THR 32 3HG2 THR 32 -0.515 6.864 -11.399 245 HG22 THR 32 1HG2 THR 32 -1.874 7.767 -10.728 246 HG23 THR 32 2HG2 THR 32 -2.096 6.779 -12.173 247 H LEU 33 H LEU 33 -3.486 5.490 -7.910 248 HA LEU 33 HA LEU 33 -2.849 3.443 -6.044 249 HB2 LEU 33 2HB LEU 33 -5.522 4.470 -6.993 250 HB3 LEU 33 1HB LEU 33 -5.290 3.394 -5.627 251 HG LEU 33 HG LEU 33 -4.231 6.213 -5.844 252 HD11 LEU 33 1HD1 LEU 33 -6.636 6.146 -5.533 253 HD12 LEU 33 2HD1 LEU 33 -5.832 6.708 -4.067 254 HD13 LEU 33 3HD1 LEU 33 -6.442 5.056 -4.162 255 HD21 LEU 33 3HD2 LEU 33 -4.086 4.244 -3.565 256 HD22 LEU 33 1HD2 LEU 33 -3.576 5.931 -3.504 257 HD23 LEU 33 2HD2 LEU 33 -2.732 4.790 -4.552 258 H LEU 34 H LEU 34 -3.454 3.339 -9.344 259 HA LEU 34 HA LEU 34 -4.482 0.629 -9.366 260 HB2 LEU 34 2HB LEU 34 -5.109 2.170 -11.165 261 HB3 LEU 34 1HB LEU 34 -3.423 2.371 -11.598 262 HG LEU 34 HG LEU 34 -3.325 -0.038 -12.214 263 HD11 LEU 34 1HD1 LEU 34 -5.117 -0.858 -10.791 264 HD12 LEU 34 2HD1 LEU 34 -5.413 -1.273 -12.480 265 HD13 LEU 34 3HD1 LEU 34 -6.298 0.056 -11.729 266 HD21 LEU 34 3HD2 LEU 34 -3.724 1.666 -13.913 267 HD22 LEU 34 1HD2 LEU 34 -5.459 1.572 -13.611 268 HD23 LEU 34 2HD2 LEU 34 -4.606 0.184 -14.286 269 H VAL 35 H VAL 35 -1.479 2.292 -10.269 270 HA VAL 35 HA VAL 35 0.010 0.032 -10.979 271 HB VAL 35 HB VAL 35 0.962 2.691 -9.893 272 HG11 VAL 35 1HG1 VAL 35 2.709 1.032 -9.607 273 HG12 VAL 35 2HG1 VAL 35 3.130 2.139 -10.916 274 HG13 VAL 35 3HG1 VAL 35 2.528 0.523 -11.285 275 HG21 VAL 35 3HG2 VAL 35 0.698 1.662 -12.718 276 HG22 VAL 35 1HG2 VAL 35 1.401 3.212 -12.256 277 HG23 VAL 35 2HG2 VAL 35 -0.308 2.893 -11.955 278 H VAL 36 H VAL 36 -0.435 1.616 -7.848 279 HA VAL 36 HA VAL 36 1.558 0.166 -6.476 280 HB VAL 36 HB VAL 36 0.570 2.277 -5.636 281 HG11 VAL 36 1HG1 VAL 36 -1.776 1.864 -6.105 282 HG12 VAL 36 2HG1 VAL 36 -1.541 2.216 -4.392 283 HG13 VAL 36 3HG1 VAL 36 -1.798 0.554 -4.923 284 HG21 VAL 36 3HG2 VAL 36 0.398 -0.045 -3.727 285 HG22 VAL 36 1HG2 VAL 36 0.567 1.652 -3.278 286 HG23 VAL 36 2HG2 VAL 36 1.862 0.840 -4.158 287 H LYS 37 H LYS 37 -1.778 -0.607 -7.257 288 HA LYS 37 HA LYS 37 -1.989 -2.721 -5.348 289 HB2 LYS 37 2HB LYS 37 -3.658 -1.969 -7.735 290 HB3 LYS 37 1HB LYS 37 -3.981 -3.420 -6.795 291 HG2 LYS 37 2HG LYS 37 -4.009 -1.818 -4.767 292 HG3 LYS 37 1HG LYS 37 -4.215 -0.553 -5.979 293 HD2 LYS 37 2HD LYS 37 -5.988 -2.978 -5.713 294 HD3 LYS 37 1HD LYS 37 -6.356 -1.391 -5.037 295 HE2 LYS 37 2HE LYS 37 -5.877 -1.924 -7.962 296 HE3 LYS 37 1HE LYS 37 -7.470 -1.875 -7.212 297 HZ1 LYS 37 3HZ LYS 37 -6.875 0.229 -8.263 298 HZ2 LYS 37 1HZ LYS 37 -5.532 0.376 -7.235 299 HZ3 LYS 37 2HZ LYS 37 -7.097 0.409 -6.596 300 H GLN 38 H GLN 38 -0.662 -2.480 -8.539 301 HA GLN 38 HA GLN 38 -0.587 -5.277 -9.075 302 HB2 GLN 38 2HB GLN 38 1.132 -3.001 -10.079 303 HB3 GLN 38 1HB GLN 38 1.315 -4.660 -10.627 304 HG2 GLN 38 2HG GLN 38 -1.117 -2.923 -10.964 305 HG3 GLN 38 1HG GLN 38 0.031 -3.387 -12.217 306 HE21 GLN 38 1HE2 GLN 38 -2.797 -3.808 -12.198 307 HE22 GLN 38 2HE2 GLN 38 -3.055 -5.515 -12.274 308 H LYS 39 H LYS 39 1.441 -3.036 -7.323 309 HA LYS 39 HA LYS 39 3.613 -4.825 -6.862 310 HB2 LYS 39 2HB LYS 39 2.815 -2.433 -5.190 311 HB3 LYS 39 1HB LYS 39 4.412 -3.161 -5.313 312 HG2 LYS 39 2HG LYS 39 4.624 -2.413 -7.597 313 HG3 LYS 39 1HG LYS 39 2.973 -1.795 -7.579 314 HD2 LYS 39 2HD LYS 39 4.343 0.092 -7.257 315 HD3 LYS 39 1HD LYS 39 3.721 -0.302 -5.655 316 HE2 LYS 39 2HE LYS 39 6.084 0.232 -5.532 317 HE3 LYS 39 1HE LYS 39 5.821 -1.468 -5.142 318 HZ1 LYS 39 3HZ LYS 39 6.652 -2.128 -7.217 319 HZ2 LYS 39 1HZ LYS 39 7.730 -0.941 -6.685 320 HZ3 LYS 39 2HZ LYS 39 6.572 -0.565 -7.864 321 H ILE 40 H ILE 40 0.733 -3.860 -5.052 322 HA ILE 40 HA ILE 40 1.297 -5.406 -2.736 323 HB ILE 40 HB ILE 40 -1.422 -4.502 -3.708 324 HG12 ILE 40 2HG1 ILE 40 0.504 -3.068 -1.863 325 HG13 ILE 40 1HG1 ILE 40 0.205 -2.621 -3.540 326 HG21 ILE 40 1HG2 ILE 40 -1.994 -4.592 -1.310 327 HG22 ILE 40 2HG2 ILE 40 -0.392 -5.247 -0.973 328 HG23 ILE 40 3HG2 ILE 40 -1.533 -6.168 -1.953 329 HD11 ILE 40 3HD1 ILE 40 -1.819 -2.595 -1.314 330 HD12 ILE 40 1HD1 ILE 40 -2.127 -2.151 -2.992 331 HD13 ILE 40 2HD1 ILE 40 -1.018 -1.189 -2.015 332 H GLU 41 H GLU 41 -0.382 -6.039 -5.751 333 HA GLU 41 HA GLU 41 -1.710 -8.395 -5.191 334 HB2 GLU 41 2HB GLU 41 -1.845 -7.127 -7.325 335 HB3 GLU 41 1HB GLU 41 -0.239 -7.697 -7.742 336 HG2 GLU 41 2HG GLU 41 -2.342 -9.711 -7.144 337 HG3 GLU 41 1HG GLU 41 -2.407 -8.847 -8.678 338 H ARG 42 H ARG 42 1.651 -7.976 -6.253 339 HA ARG 42 HA ARG 42 2.253 -10.757 -6.164 340 HB2 ARG 42 2HB ARG 42 3.514 -9.225 -7.588 341 HB3 ARG 42 1HB ARG 42 4.090 -8.358 -6.171 342 HG2 ARG 42 2HG ARG 42 5.231 -10.411 -5.419 343 HG3 ARG 42 1HG ARG 42 4.720 -11.205 -6.909 344 HD2 ARG 42 2HD ARG 42 5.987 -9.647 -8.230 345 HD3 ARG 42 1HD ARG 42 6.389 -8.702 -6.794 346 HE ARG 42 HE ARG 42 7.308 -11.483 -7.209 347 HH11 ARG 42 1HH1 ARG 42 7.855 -8.172 -6.219 348 HH12 ARG 42 2HH1 ARG 42 9.478 -8.468 -5.673 349 HH21 ARG 42 1HH2 ARG 42 9.457 -11.876 -6.493 350 HH22 ARG 42 2HH2 ARG 42 10.390 -10.558 -5.832 351 H SER 43 H SER 43 2.403 -8.151 -3.850 352 HA SER 43 HA SER 43 4.221 -9.429 -2.059 353 HB2 SER 43 2HB SER 43 2.300 -7.154 -1.510 354 HB3 SER 43 1HB SER 43 3.701 -7.600 -0.537 355 HG SER 43 HG SER 43 3.667 -6.561 -3.182 356 H GLN 44 H GLN 44 0.691 -8.937 -2.038 357 HA GLN 44 HA GLN 44 0.416 -10.615 0.326 358 HB2 GLN 44 2HB GLN 44 -1.640 -9.162 -1.352 359 HB3 GLN 44 1HB GLN 44 -2.005 -10.072 0.107 360 HG2 GLN 44 2HG GLN 44 -0.158 -7.701 0.004 361 HG3 GLN 44 1HG GLN 44 -1.862 -7.619 0.447 362 HE21 GLN 44 1HE2 GLN 44 0.507 -6.952 1.989 363 HE22 GLN 44 2HE2 GLN 44 0.441 -7.922 3.422 364 H HIS 45 H HIS 45 0.484 -10.978 -3.016 365 HA HIS 45 HA HIS 45 0.152 -12.692 -4.436 366 HB2 HIS 45 2HB HIS 45 -0.020 -14.248 -1.860 367 HB3 HIS 45 1HB HIS 45 -0.151 -15.014 -3.440 368 HD1 HIS 45 HD1 HIS 45 2.031 -14.249 -5.077 369 HD2 HIS 45 HD2 HIS 45 2.521 -14.310 -0.948 370 HE1 HIS 45 HE1 HIS 45 4.511 -14.399 -4.693 371 HE2 HIS 45 HE2 HIS 45 4.772 -14.619 -2.196 372 H ILE 46 H ILE 46 -2.007 -11.026 -3.738 373 HA ILE 46 HA ILE 46 -4.217 -12.858 -4.365 374 HB ILE 46 HB ILE 46 -5.769 -11.232 -3.253 375 HG12 ILE 46 2HG1 ILE 46 -3.208 -10.146 -2.054 376 HG13 ILE 46 1HG1 ILE 46 -4.248 -9.296 -3.193 377 HG21 ILE 46 1HG2 ILE 46 -5.173 -13.331 -2.193 378 HG22 ILE 46 2HG2 ILE 46 -5.354 -12.060 -0.986 379 HG23 ILE 46 3HG2 ILE 46 -3.743 -12.586 -1.476 380 HD11 ILE 46 3HD1 ILE 46 -4.607 -8.520 -0.923 381 HD12 ILE 46 1HD1 ILE 46 -5.006 -10.161 -0.412 382 HD13 ILE 46 2HD1 ILE 46 -6.053 -9.312 -1.550 383 HA PRO 47 HA PRO 47 -4.385 -10.553 -8.118 384 HB2 PRO 47 2HB PRO 47 -7.060 -10.997 -8.682 385 HB3 PRO 47 1HB PRO 47 -5.745 -12.112 -9.065 386 HG2 PRO 47 2HG PRO 47 -7.650 -12.137 -6.768 387 HG3 PRO 47 1HG PRO 47 -7.014 -13.493 -7.716 388 HD2 PRO 47 2HD PRO 47 -6.069 -12.928 -5.272 389 HD3 PRO 47 1HD PRO 47 -5.003 -13.522 -6.564 390 H VAL 48 H VAL 48 -5.218 -8.632 -8.993 391 HA VAL 48 HA VAL 48 -5.869 -6.629 -7.136 392 HB VAL 48 HB VAL 48 -4.695 -6.169 -9.241 393 HG11 VAL 48 1HG1 VAL 48 -5.863 -7.656 -10.737 394 HG12 VAL 48 2HG1 VAL 48 -5.947 -6.006 -11.356 395 HG13 VAL 48 3HG1 VAL 48 -7.348 -6.721 -10.559 396 HG21 VAL 48 3HG2 VAL 48 -7.282 -4.645 -8.958 397 HG22 VAL 48 1HG2 VAL 48 -5.862 -4.097 -9.851 398 HG23 VAL 48 2HG2 VAL 48 -5.773 -4.320 -8.103 399 H SER 49 H SER 49 -7.852 -8.736 -9.055 400 HA SER 49 HA SER 49 -10.283 -7.258 -8.781 401 HB2 SER 49 2HB SER 49 -11.184 -9.620 -9.493 402 HB3 SER 49 1HB SER 49 -10.267 -8.643 -10.643 403 HG SER 49 HG SER 49 -9.696 -11.048 -10.045 404 H LYS 50 H LYS 50 -8.467 -8.960 -6.596 405 HA LYS 50 HA LYS 50 -10.819 -9.738 -4.997 406 HB2 LYS 50 2HB LYS 50 -9.211 -11.555 -5.851 407 HB3 LYS 50 1HB LYS 50 -8.050 -10.902 -4.710 408 HG2 LYS 50 2HG LYS 50 -9.526 -11.439 -2.864 409 HG3 LYS 50 1HG LYS 50 -10.759 -12.010 -3.993 410 HD2 LYS 50 2HD LYS 50 -9.147 -13.710 -4.816 411 HD3 LYS 50 1HD LYS 50 -8.005 -13.180 -3.583 412 HE2 LYS 50 2HE LYS 50 -9.189 -15.182 -2.869 413 HE3 LYS 50 1HE LYS 50 -9.597 -13.810 -1.839 414 HZ1 LYS 50 3HZ LYS 50 -11.479 -15.307 -2.627 415 HZ2 LYS 50 1HZ LYS 50 -11.299 -14.565 -4.141 416 HZ3 LYS 50 2HZ LYS 50 -11.705 -13.639 -2.776 417 H GLN 51 H GLN 51 -8.725 -7.354 -5.332 418 HA GLN 51 HA GLN 51 -8.035 -7.064 -2.500 419 HB2 GLN 51 2HB GLN 51 -7.015 -5.777 -5.014 420 HB3 GLN 51 1HB GLN 51 -6.736 -5.032 -3.448 421 HG2 GLN 51 2HG GLN 51 -5.581 -7.044 -2.690 422 HG3 GLN 51 1HG GLN 51 -5.872 -7.798 -4.259 423 HE21 GLN 51 1HE2 GLN 51 -4.631 -7.212 -5.998 424 HE22 GLN 51 2HE2 GLN 51 -3.248 -6.181 -5.875 425 H THR 52 H THR 52 -8.456 -5.099 -1.401 426 HA THR 52 HA THR 52 -10.193 -3.135 -2.632 427 HB THR 52 HB THR 52 -11.092 -4.677 -0.182 428 HG1 THR 52 HG1 THR 52 -11.440 -5.145 -2.775 429 HG21 THR 52 3HG2 THR 52 -12.405 -2.379 -1.638 430 HG22 THR 52 1HG2 THR 52 -11.682 -2.306 -0.029 431 HG23 THR 52 2HG2 THR 52 -13.115 -3.296 -0.310 432 H LEU 53 H LEU 53 -9.243 -1.282 -2.135 433 HA LEU 53 HA LEU 53 -7.459 -1.052 0.116 434 HB2 LEU 53 2HB LEU 53 -8.377 1.008 -1.896 435 HB3 LEU 53 1HB LEU 53 -7.109 1.252 -0.712 436 HG LEU 53 HG LEU 53 -6.998 -0.802 -2.924 437 HD11 LEU 53 1HD1 LEU 53 -5.410 0.711 -3.996 438 HD12 LEU 53 2HD1 LEU 53 -5.692 1.911 -2.734 439 HD13 LEU 53 3HD1 LEU 53 -6.997 1.460 -3.833 440 HD21 LEU 53 3HD2 LEU 53 -4.891 0.205 -1.014 441 HD22 LEU 53 1HD2 LEU 53 -4.629 -0.929 -2.339 442 HD23 LEU 53 2HD2 LEU 53 -5.653 -1.386 -0.977 443 H ILE 54 H ILE 54 -8.196 -0.647 2.107 444 HA ILE 54 HA ILE 54 -10.405 1.288 2.388 445 HB ILE 54 HB ILE 54 -9.833 -1.074 4.195 446 HG12 ILE 54 2HG1 ILE 54 -12.166 -0.565 2.331 447 HG13 ILE 54 1HG1 ILE 54 -10.861 -1.706 2.031 448 HG21 ILE 54 1HG2 ILE 54 -10.662 0.835 5.443 449 HG22 ILE 54 2HG2 ILE 54 -11.899 -0.417 5.353 450 HG23 ILE 54 3HG2 ILE 54 -12.014 1.010 4.324 451 HD11 ILE 54 3HD1 ILE 54 -12.850 -2.842 2.821 452 HD12 ILE 54 1HD1 ILE 54 -12.855 -1.854 4.282 453 HD13 ILE 54 2HD1 ILE 54 -11.539 -2.993 3.992 454 H VAL 55 H VAL 55 -9.824 3.077 3.403 455 HA VAL 55 HA VAL 55 -7.540 2.951 5.255 456 HB VAL 55 HB VAL 55 -6.921 4.306 3.368 457 HG11 VAL 55 1HG1 VAL 55 -9.150 4.840 2.528 458 HG12 VAL 55 2HG1 VAL 55 -8.154 6.288 2.676 459 HG13 VAL 55 3HG1 VAL 55 -9.398 5.945 3.879 460 HG21 VAL 55 3HG2 VAL 55 -7.613 6.048 5.731 461 HG22 VAL 55 1HG2 VAL 55 -6.458 6.458 4.462 462 HG23 VAL 55 2HG2 VAL 55 -6.146 5.090 5.532 463 H ASP 56 H ASP 56 -8.158 3.022 7.256 464 HA ASP 56 HA ASP 56 -9.212 3.526 9.193 465 HB2 ASP 56 2HB ASP 56 -10.125 5.971 7.673 466 HB3 ASP 56 1HB ASP 56 -10.427 5.711 9.388 467 H GLY 57 H GLY 57 -11.673 4.890 7.056 468 HA2 GLY 57 2HA GLY 57 -13.326 2.503 7.420 469 HA3 GLY 57 1HA GLY 57 -13.968 4.029 8.011 470 H ILE 58 H ILE 58 -11.997 4.512 5.343 471 HA ILE 58 HA ILE 58 -14.375 4.816 3.633 472 HB ILE 58 HB ILE 58 -11.739 6.297 3.475 473 HG12 ILE 58 2HG1 ILE 58 -14.462 7.244 4.414 474 HG13 ILE 58 1HG1 ILE 58 -13.079 6.918 5.454 475 HG21 ILE 58 1HG2 ILE 58 -12.760 6.069 1.292 476 HG22 ILE 58 2HG2 ILE 58 -12.912 7.736 1.848 477 HG23 ILE 58 3HG2 ILE 58 -14.301 6.651 1.920 478 HD11 ILE 58 3HD1 ILE 58 -13.223 9.041 3.329 479 HD12 ILE 58 1HD1 ILE 58 -11.839 8.716 4.370 480 HD13 ILE 58 2HD1 ILE 58 -13.352 9.296 5.068 481 H VAL 59 H VAL 59 -14.475 3.715 1.769 482 HA VAL 59 HA VAL 59 -12.262 1.954 1.098 483 HB VAL 59 HB VAL 59 -14.554 1.055 1.076 484 HG11 VAL 59 1HG1 VAL 59 -16.117 1.673 -0.710 485 HG12 VAL 59 2HG1 VAL 59 -15.015 2.952 -1.222 486 HG13 VAL 59 3HG1 VAL 59 -15.777 3.028 0.367 487 HG21 VAL 59 3HG2 VAL 59 -14.453 -0.056 -1.117 488 HG22 VAL 59 1HG2 VAL 59 -12.884 -0.014 -0.310 489 HG23 VAL 59 2HG2 VAL 59 -13.226 1.103 -1.630 490 H ILE 60 H ILE 60 -10.985 2.123 -0.659 491 HA ILE 60 HA ILE 60 -11.237 4.601 -2.224 492 HB ILE 60 HB ILE 60 -8.791 2.867 -1.862 493 HG12 ILE 60 2HG1 ILE 60 -9.420 3.918 0.259 494 HG13 ILE 60 1HG1 ILE 60 -7.960 4.658 -0.385 495 HG21 ILE 60 1HG2 ILE 60 -9.134 5.601 -3.081 496 HG22 ILE 60 2HG2 ILE 60 -8.774 4.106 -3.943 497 HG23 ILE 60 3HG2 ILE 60 -7.593 4.783 -2.823 498 HD11 ILE 60 3HD1 ILE 60 -10.740 5.805 -0.512 499 HD12 ILE 60 1HD1 ILE 60 -9.296 6.540 -1.210 500 HD13 ILE 60 2HD1 ILE 60 -9.426 6.337 0.537 501 H LEU 61 H LEU 61 -12.147 4.301 -4.134 502 HA LEU 61 HA LEU 61 -11.484 1.852 -5.644 503 HB2 LEU 61 2HB LEU 61 -14.041 3.463 -5.730 504 HB3 LEU 61 1HB LEU 61 -13.690 2.056 -6.716 505 HG LEU 61 HG LEU 61 -13.933 2.036 -3.707 506 HD11 LEU 61 1HD1 LEU 61 -16.044 0.873 -4.087 507 HD12 LEU 61 2HD1 LEU 61 -15.848 1.078 -5.828 508 HD13 LEU 61 3HD1 LEU 61 -16.073 2.489 -4.794 509 HD21 LEU 61 3HD2 LEU 61 -13.635 -0.203 -5.708 510 HD22 LEU 61 1HD2 LEU 61 -13.945 -0.409 -3.983 511 HD23 LEU 61 2HD2 LEU 61 -12.429 0.311 -4.528 512 H ARG 62 H ARG 62 -10.712 4.943 -5.474 513 HA ARG 62 HA ARG 62 -11.128 5.711 -8.233 514 HB2 ARG 62 2HB ARG 62 -9.915 7.082 -5.850 515 HB3 ARG 62 1HB ARG 62 -9.734 7.742 -7.469 516 HG2 ARG 62 2HG ARG 62 -12.397 7.133 -6.215 517 HG3 ARG 62 1HG ARG 62 -11.601 8.706 -6.117 518 HD2 ARG 62 2HD ARG 62 -11.606 8.879 -8.545 519 HD3 ARG 62 1HD ARG 62 -12.341 7.281 -8.671 520 HE ARG 62 HE ARG 62 -14.306 8.253 -7.518 521 HH11 ARG 62 1HH1 ARG 62 -12.070 10.386 -9.163 522 HH12 ARG 62 2HH1 ARG 62 -13.240 11.643 -9.398 523 HH21 ARG 62 1HH2 ARG 62 -15.850 9.877 -7.843 524 HH22 ARG 62 2HH2 ARG 62 -15.411 11.349 -8.662 525 H GLU 63 H GLU 63 -9.908 4.466 -9.545 526 HA GLU 63 HA GLU 63 -7.132 3.927 -9.083 527 HB2 GLU 63 2HB GLU 63 -8.609 3.846 -11.722 528 HB3 GLU 63 1HB GLU 63 -7.139 2.980 -11.300 529 HG2 GLU 63 2HG GLU 63 -9.866 2.506 -10.121 530 HG3 GLU 63 1HG GLU 63 -9.073 1.508 -11.338 531 H ASP 64 H ASP 64 -8.922 6.554 -10.074 532 HA ASP 64 HA ASP 64 -7.196 7.798 -11.949 533 HB2 ASP 64 2HB ASP 64 -9.618 8.260 -11.745 534 HB3 ASP 64 1HB ASP 64 -9.336 8.991 -10.170 535 H LEU 65 H LEU 65 -7.155 7.561 -8.515 536 HA LEU 65 HA LEU 65 -5.838 10.101 -8.111 537 HB2 LEU 65 2HB LEU 65 -6.509 7.881 -6.186 538 HB3 LEU 65 1HB LEU 65 -5.753 9.395 -5.725 539 HG LEU 65 HG LEU 65 -8.515 9.072 -6.897 540 HD11 LEU 65 1HD1 LEU 65 -8.391 8.352 -4.588 541 HD12 LEU 65 2HD1 LEU 65 -9.244 9.892 -4.695 542 HD13 LEU 65 3HD1 LEU 65 -7.571 9.848 -4.140 543 HD21 LEU 65 3HD2 LEU 65 -7.072 11.561 -5.994 544 HD22 LEU 65 1HD2 LEU 65 -8.751 11.468 -6.527 545 HD23 LEU 65 2HD2 LEU 65 -7.445 11.129 -7.663 546 H THR 66 H THR 66 -3.777 10.477 -7.858 547 HA THR 66 HA THR 66 -1.829 8.316 -7.941 548 HB THR 66 HB THR 66 -1.390 11.318 -7.837 549 HG1 THR 66 HG1 THR 66 -1.055 9.816 -10.194 550 HG21 THR 66 3HG2 THR 66 0.577 10.030 -7.186 551 HG22 THR 66 1HG2 THR 66 0.820 10.791 -8.758 552 HG23 THR 66 2HG2 THR 66 0.447 9.070 -8.659 553 H VAL 67 H VAL 67 -0.302 7.959 -6.248 554 HA VAL 67 HA VAL 67 -1.221 8.059 -3.642 555 HB VAL 67 HB VAL 67 1.653 7.981 -4.585 556 HG11 VAL 67 1HG1 VAL 67 0.522 7.278 -1.876 557 HG12 VAL 67 2HG1 VAL 67 1.538 8.672 -2.244 558 HG13 VAL 67 3HG1 VAL 67 2.190 7.040 -2.394 559 HG21 VAL 67 3HG2 VAL 67 1.445 5.561 -4.208 560 HG22 VAL 67 1HG2 VAL 67 0.317 6.139 -5.433 561 HG23 VAL 67 2HG2 VAL 67 -0.259 5.779 -3.806 562 H GLU 68 H GLU 68 0.934 10.343 -5.278 563 HA GLU 68 HA GLU 68 1.526 12.036 -3.153 564 HB2 GLU 68 2HB GLU 68 2.539 12.066 -5.448 565 HB3 GLU 68 1HB GLU 68 1.082 12.857 -6.025 566 HG2 GLU 68 2HG GLU 68 1.517 14.732 -4.509 567 HG3 GLU 68 1HG GLU 68 3.006 13.947 -3.987 568 H GLN 69 H GLN 69 -1.162 12.201 -5.457 569 HA GLN 69 HA GLN 69 -2.253 14.594 -4.387 570 HB2 GLN 69 2HB GLN 69 -3.353 12.495 -6.244 571 HB3 GLN 69 1HB GLN 69 -4.267 13.924 -5.778 572 HG2 GLN 69 2HG GLN 69 -2.588 15.360 -6.754 573 HG3 GLN 69 1HG GLN 69 -1.586 13.962 -7.143 574 HE21 GLN 69 1HE2 GLN 69 -2.129 12.668 -8.869 575 HE22 GLN 69 2HE2 GLN 69 -3.327 13.116 -10.036 576 H CYS 70 H CYS 70 -2.678 11.223 -3.652 577 HA CYS 70 HA CYS 70 -5.136 11.594 -2.211 578 HB2 CYS 70 2HB CYS 70 -4.568 9.456 -3.316 579 HB3 CYS 70 1HB CYS 70 -3.221 9.253 -2.205 580 HG CYS 70 HG CYS 70 -6.037 9.721 -0.528 581 H GLN 71 H GLN 71 -1.739 11.678 -1.477 582 HA GLN 71 HA GLN 71 -0.537 12.023 0.417 583 HB2 GLN 71 2HB GLN 71 -3.136 13.321 1.230 584 HB3 GLN 71 1HB GLN 71 -1.730 13.306 2.284 585 HG2 GLN 71 2HG GLN 71 -1.798 14.482 -0.486 586 HG3 GLN 71 1HG GLN 71 -1.980 15.396 1.010 587 HE21 GLN 71 1HE2 GLN 71 0.206 13.747 -1.094 588 HE22 GLN 71 2HE2 GLN 71 1.672 14.253 -0.311 589 H ILE 72 H ILE 72 -0.757 9.580 0.436 590 HA ILE 72 HA ILE 72 -2.499 8.423 2.393 591 HB ILE 72 HB ILE 72 -0.087 7.182 1.056 592 HG12 ILE 72 2HG1 ILE 72 -3.013 7.060 0.276 593 HG13 ILE 72 1HG1 ILE 72 -1.767 7.969 -0.573 594 HG21 ILE 72 1HG2 ILE 72 -2.428 5.934 2.494 595 HG22 ILE 72 2HG2 ILE 72 -0.758 5.983 3.056 596 HG23 ILE 72 3HG2 ILE 72 -1.178 5.048 1.621 597 HD11 ILE 72 3HD1 ILE 72 -2.275 5.890 -1.712 598 HD12 ILE 72 1HD1 ILE 72 -1.869 4.977 -0.258 599 HD13 ILE 72 2HD1 ILE 72 -0.619 5.884 -1.109 600 H VAL 73 H VAL 73 -2.080 9.365 4.359 601 HA VAL 73 HA VAL 73 0.589 9.494 5.416 602 HB VAL 73 HB VAL 73 -0.557 10.184 7.545 603 HG11 VAL 73 1HG1 VAL 73 0.242 11.814 5.913 604 HG12 VAL 73 2HG1 VAL 73 -1.237 12.368 6.697 605 HG13 VAL 73 3HG1 VAL 73 -1.298 11.720 5.057 606 HG21 VAL 73 3HG2 VAL 73 -2.952 10.755 7.419 607 HG22 VAL 73 1HG2 VAL 73 -2.672 9.022 7.255 608 HG23 VAL 73 2HG2 VAL 73 -3.036 9.995 5.830 609 HA PRO 74 HA PRO 74 0.654 5.311 6.861 610 HB2 PRO 74 2HB PRO 74 2.937 6.097 8.513 611 HB3 PRO 74 1HB PRO 74 2.882 5.005 7.129 612 HG2 PRO 74 2HG PRO 74 4.072 7.425 7.006 613 HG3 PRO 74 1HG PRO 74 3.261 6.690 5.611 614 HD2 PRO 74 2HD PRO 74 2.269 8.817 7.478 615 HD3 PRO 74 1HD PRO 74 2.120 8.712 5.709 616 H THR 75 H THR 75 -0.212 7.925 8.671 617 HA THR 75 HA THR 75 -0.194 6.571 11.245 618 HB THR 75 HB THR 75 0.395 8.957 11.169 619 HG1 THR 75 HG1 THR 75 -1.785 7.998 12.627 620 HG21 THR 75 3HG2 THR 75 -1.329 10.649 10.723 621 HG22 THR 75 1HG2 THR 75 -2.451 9.372 10.252 622 HG23 THR 75 2HG2 THR 75 -0.995 9.663 9.300 623 H SER 76 H SER 76 -2.100 6.498 8.575 624 HA SER 76 HA SER 76 -4.652 6.479 9.979 625 HB2 SER 76 2HB SER 76 -5.613 6.154 7.701 626 HB3 SER 76 1HB SER 76 -4.616 7.602 7.824 627 HG SER 76 HG SER 76 -3.037 6.638 6.655 628 H ASP 77 H ASP 77 -6.167 4.617 9.425 629 HA ASP 77 HA ASP 77 -4.768 2.131 9.970 630 HB2 ASP 77 2HB ASP 77 -6.853 2.685 11.189 631 HB3 ASP 77 1HB ASP 77 -7.737 2.637 9.667 632 H ILE 78 H ILE 78 -3.746 1.475 8.162 633 HA ILE 78 HA ILE 78 -5.181 1.347 5.632 634 HB ILE 78 HB ILE 78 -2.345 0.476 6.240 635 HG12 ILE 78 2HG1 ILE 78 -3.328 3.081 5.044 636 HG13 ILE 78 1HG1 ILE 78 -2.731 2.891 6.688 637 HG21 ILE 78 1HG2 ILE 78 -3.270 -0.549 4.236 638 HG22 ILE 78 2HG2 ILE 78 -2.044 0.646 3.806 639 HG23 ILE 78 3HG2 ILE 78 -3.756 1.034 3.630 640 HD11 ILE 78 3HD1 ILE 78 -0.540 2.270 5.829 641 HD12 ILE 78 1HD1 ILE 78 -1.047 3.845 5.218 642 HD13 ILE 78 2HD1 ILE 78 -1.141 2.424 4.178 643 H GLN 79 H GLN 79 -6.510 -0.327 5.394 644 HA GLN 79 HA GLN 79 -5.542 -2.986 6.193 645 HB2 GLN 79 2HB GLN 79 -7.125 -2.223 7.898 646 HB3 GLN 79 1HB GLN 79 -8.325 -1.893 6.656 647 HG2 GLN 79 2HG GLN 79 -8.855 -3.960 7.758 648 HG3 GLN 79 1HG GLN 79 -8.365 -4.292 6.098 649 HE21 GLN 79 1HE2 GLN 79 -7.782 -6.401 6.526 650 HE22 GLN 79 2HE2 GLN 79 -6.396 -6.819 7.470 651 H LEU 80 H LEU 80 -5.751 -4.496 4.663 652 HA LEU 80 HA LEU 80 -7.313 -3.835 2.278 653 HB2 LEU 80 2HB LEU 80 -5.215 -5.924 2.828 654 HB3 LEU 80 1HB LEU 80 -6.195 -5.939 1.375 655 HG LEU 80 HG LEU 80 -4.216 -3.823 2.207 656 HD11 LEU 80 1HD1 LEU 80 -4.313 -5.763 -0.097 657 HD12 LEU 80 2HD1 LEU 80 -3.221 -5.827 1.286 658 HD13 LEU 80 3HD1 LEU 80 -3.101 -4.503 0.128 659 HD21 LEU 80 3HD2 LEU 80 -4.772 -2.706 0.104 660 HD22 LEU 80 1HD2 LEU 80 -6.171 -2.773 1.177 661 HD23 LEU 80 2HD2 LEU 80 -6.053 -3.882 -0.189 662 H GLU 81 H GLU 81 -9.224 -4.756 1.896 663 HA GLU 81 HA GLU 81 -9.916 -7.179 3.381 664 HB2 GLU 81 2HB GLU 81 -11.625 -5.388 3.335 665 HB3 GLU 81 1HB GLU 81 -11.664 -5.487 1.576 666 HG2 GLU 81 2HG GLU 81 -12.291 -7.917 1.851 667 HG3 GLU 81 1HG GLU 81 -12.517 -7.574 3.563 668 H VAL 82 H VAL 82 -9.017 -8.892 2.389 669 HA VAL 82 HA VAL 82 -8.957 -9.151 -0.457 670 HB VAL 82 HB VAL 82 -7.278 -10.349 0.747 671 HG11 VAL 82 1HG1 VAL 82 -9.490 -11.765 2.221 672 HG12 VAL 82 2HG1 VAL 82 -8.378 -10.571 2.894 673 HG13 VAL 82 3HG1 VAL 82 -7.771 -12.132 2.342 674 HG21 VAL 82 3HG2 VAL 82 -8.041 -11.478 -1.241 675 HG22 VAL 82 1HG2 VAL 82 -9.317 -12.286 -0.333 676 HG23 VAL 82 2HG2 VAL 82 -7.626 -12.667 -0.008 677 H SER 83 H SER 83 -10.654 -9.482 -1.657 678 HA SER 83 HA SER 83 -13.232 -9.638 -0.673 679 HB2 SER 83 2HB SER 83 -12.495 -8.885 -2.974 680 HB3 SER 83 1HB SER 83 -12.383 -10.588 -3.413 681 HG SER 83 HG SER 83 -14.740 -9.461 -2.332 682 H SER 84 H SER 84 -14.156 -11.211 0.405 683 HA SER 84 HA SER 84 -13.199 -13.896 0.376 684 HB2 SER 84 2HB SER 84 -15.754 -12.775 1.547 685 HB3 SER 84 1HB SER 84 -15.008 -14.319 1.958 686 HG SER 84 HG SER 84 -13.314 -12.172 2.195 Start of MODEL 18 1 H1 MET 1 1H MET 1 17.354 27.506 -11.724 2 H2 MET 1 2H MET 1 16.779 29.030 -11.254 3 H3 MET 1 3H MET 1 16.284 27.639 -10.413 4 HA MET 1 HA MET 1 19.003 28.807 -10.491 5 HB2 MET 1 2HB MET 1 16.991 28.450 -8.256 6 HB3 MET 1 1HB MET 1 18.652 28.976 -8.023 7 HG2 MET 1 2HG MET 1 16.551 30.426 -9.615 8 HG3 MET 1 1HG MET 1 17.107 30.849 -7.995 9 HE1 MET 1 3HE MET 1 17.025 32.937 -10.340 10 HE2 MET 1 1HE MET 1 18.596 33.728 -10.190 11 HE3 MET 1 2HE MET 1 17.662 33.340 -8.746 12 H GLY 2 H GLY 2 17.063 26.357 -8.759 13 HA2 GLY 2 2HA GLY 2 18.683 24.176 -9.453 14 HA3 GLY 2 1HA GLY 2 19.264 24.827 -7.926 15 H HIS 3 H HIS 3 17.691 22.336 -8.888 16 HA HIS 3 HA HIS 3 15.156 22.483 -7.607 17 HB2 HIS 3 2HB HIS 3 16.837 20.119 -8.447 18 HB3 HIS 3 1HB HIS 3 15.239 19.958 -7.728 19 HD1 HIS 3 HD1 HIS 3 13.335 19.935 -9.319 20 HD2 HIS 3 HD2 HIS 3 16.749 21.638 -10.979 21 HE1 HIS 3 HE1 HIS 3 12.782 20.349 -11.736 22 HE2 HIS 3 HE2 HIS 3 14.905 21.251 -12.754 23 H HIS 4 H HIS 4 14.536 21.989 -5.585 24 HA HIS 4 HA HIS 4 16.626 21.091 -3.708 25 HB2 HIS 4 2HB HIS 4 14.374 23.042 -3.145 26 HB3 HIS 4 1HB HIS 4 15.522 22.439 -1.954 27 HD1 HIS 4 HD1 HIS 4 14.925 25.339 -3.836 28 HD2 HIS 4 HD2 HIS 4 18.347 23.112 -3.018 29 HE1 HIS 4 HE1 HIS 4 16.864 26.886 -4.261 30 HE2 HIS 4 HE2 HIS 4 18.920 25.474 -3.915 31 H HIS 5 H HIS 5 16.153 19.040 -3.263 32 HA HIS 5 HA HIS 5 13.438 18.064 -3.254 33 HB2 HIS 5 2HB HIS 5 15.441 16.717 -4.002 34 HB3 HIS 5 1HB HIS 5 15.941 16.641 -2.319 35 HD1 HIS 5 HD1 HIS 5 15.377 14.463 -1.334 36 HD2 HIS 5 HD2 HIS 5 12.555 15.649 -4.149 37 HE1 HIS 5 HE1 HIS 5 13.694 12.598 -1.433 38 HE2 HIS 5 HE2 HIS 5 12.149 13.228 -3.321 39 H HIS 6 H HIS 6 12.639 19.527 -1.633 40 HA HIS 6 HA HIS 6 13.801 19.467 1.008 41 HB2 HIS 6 2HB HIS 6 12.836 21.541 -0.085 42 HB3 HIS 6 1HB HIS 6 11.243 20.839 0.168 43 HD1 HIS 6 HD1 HIS 6 14.122 22.384 2.010 44 HD2 HIS 6 HD2 HIS 6 10.299 20.932 2.793 45 HE1 HIS 6 HE1 HIS 6 13.579 23.116 4.358 46 HE2 HIS 6 HE2 HIS 6 11.224 22.319 4.778 47 H HIS 7 H HIS 7 11.089 18.013 -0.648 48 HA HIS 7 HA HIS 7 10.418 16.699 1.898 49 HB2 HIS 7 2HB HIS 7 8.143 16.450 1.243 50 HB3 HIS 7 1HB HIS 7 8.570 18.125 0.941 51 HD1 HIS 7 HD1 HIS 7 8.478 18.947 -1.498 52 HD2 HIS 7 HD2 HIS 7 7.574 14.911 -1.048 53 HE1 HIS 7 HE1 HIS 7 7.475 18.227 -3.682 54 HE2 HIS 7 HE2 HIS 7 6.709 15.857 -3.299 55 H HIS 8 H HIS 8 10.740 14.592 2.028 56 HA HIS 8 HA HIS 8 11.998 13.209 -0.097 57 HB2 HIS 8 2HB HIS 8 11.953 11.239 1.328 58 HB3 HIS 8 1HB HIS 8 12.427 12.647 2.265 59 HD1 HIS 8 HD1 HIS 8 10.217 9.805 2.360 60 HD2 HIS 8 HD2 HIS 8 10.128 13.693 3.841 61 HE1 HIS 8 HE1 HIS 8 8.499 9.797 4.200 62 HE2 HIS 8 HE2 HIS 8 8.537 12.133 5.153 63 H SER 9 H SER 9 11.254 11.817 -1.591 64 HA SER 9 HA SER 9 8.393 11.982 -2.088 65 HB2 SER 9 2HB SER 9 9.471 10.808 -4.303 66 HB3 SER 9 1HB SER 9 9.331 12.553 -4.068 67 HG SER 9 HG SER 9 11.507 11.505 -4.601 68 H HIS 10 H HIS 10 10.773 9.700 -1.105 69 HA HIS 10 HA HIS 10 9.012 7.448 -1.729 70 HB2 HIS 10 2HB HIS 10 11.857 7.607 -0.755 71 HB3 HIS 10 1HB HIS 10 10.954 6.096 -0.740 72 HD1 HIS 10 HD1 HIS 10 11.456 4.706 -2.708 73 HD2 HIS 10 HD2 HIS 10 11.689 8.770 -3.586 74 HE1 HIS 10 HE1 HIS 10 12.088 4.844 -5.136 75 HE2 HIS 10 HE2 HIS 10 12.491 7.290 -5.552 76 H MET 11 H MET 11 7.737 6.516 -0.284 77 HA MET 11 HA MET 11 8.286 6.883 2.577 78 HB2 MET 11 2HB MET 11 5.640 7.396 1.207 79 HB3 MET 11 1HB MET 11 5.831 7.251 2.948 80 HG2 MET 11 2HG MET 11 7.353 9.194 2.895 81 HG3 MET 11 1HG MET 11 7.035 9.357 1.168 82 HE1 MET 11 3HE MET 11 3.792 9.849 4.419 83 HE2 MET 11 1HE MET 11 5.475 9.456 4.773 84 HE3 MET 11 2HE MET 11 4.451 8.284 3.943 85 H LYS 12 H LYS 12 7.671 5.138 3.863 86 HA LYS 12 HA LYS 12 6.623 2.812 2.395 87 HB2 LYS 12 2HB LYS 12 7.948 2.908 5.112 88 HB3 LYS 12 1HB LYS 12 7.395 1.456 4.296 89 HG2 LYS 12 2HG LYS 12 9.034 2.020 2.458 90 HG3 LYS 12 1HG LYS 12 9.692 3.240 3.553 91 HD2 LYS 12 2HD LYS 12 9.549 0.260 3.997 92 HD3 LYS 12 1HD LYS 12 10.998 1.247 3.801 93 HE2 LYS 12 2HE LYS 12 10.573 2.366 5.896 94 HE3 LYS 12 1HE LYS 12 9.033 1.530 6.074 95 HZ1 LYS 12 3HZ LYS 12 10.252 -0.575 6.211 96 HZ2 LYS 12 1HZ LYS 12 10.723 0.501 7.434 97 HZ3 LYS 12 2HZ LYS 12 11.722 0.266 6.089 98 H PHE 13 H PHE 13 4.676 1.976 2.874 99 HA PHE 13 HA PHE 13 3.465 2.730 5.443 100 HB2 PHE 13 2HB PHE 13 1.279 2.871 4.467 101 HB3 PHE 13 1HB PHE 13 2.341 3.893 3.512 102 HD1 PHE 13 HD1 PHE 13 3.303 2.843 1.339 103 HD2 PHE 13 HD2 PHE 13 -0.069 1.306 3.436 104 HE1 PHE 13 HE1 PHE 13 2.562 1.687 -0.702 105 HE2 PHE 13 HE2 PHE 13 -0.810 0.146 1.396 106 HZ PHE 13 HZ PHE 13 0.508 0.335 -0.676 107 H LEU 14 H LEU 14 2.364 1.065 6.512 108 HA LEU 14 HA LEU 14 3.321 -1.551 5.710 109 HB2 LEU 14 2HB LEU 14 3.523 -0.794 8.049 110 HB3 LEU 14 1HB LEU 14 1.775 -0.716 8.165 111 HG LEU 14 HG LEU 14 1.647 -3.153 7.807 112 HD11 LEU 14 1HD1 LEU 14 3.711 -4.484 7.923 113 HD12 LEU 14 2HD1 LEU 14 4.657 -2.996 7.844 114 HD13 LEU 14 3HD1 LEU 14 3.645 -3.472 6.479 115 HD21 LEU 14 3HD2 LEU 14 2.581 -3.817 9.973 116 HD22 LEU 14 1HD2 LEU 14 1.727 -2.276 10.077 117 HD23 LEU 14 2HD2 LEU 14 3.490 -2.308 10.037 118 H VAL 15 H VAL 15 2.177 -2.658 4.308 119 HA VAL 15 HA VAL 15 -0.653 -2.326 3.976 120 HB VAL 15 HB VAL 15 1.101 -4.529 2.868 121 HG11 VAL 15 1HG1 VAL 15 -1.289 -4.991 2.732 122 HG12 VAL 15 2HG1 VAL 15 -0.611 -4.695 1.132 123 HG13 VAL 15 3HG1 VAL 15 -1.553 -3.439 1.937 124 HG21 VAL 15 3HG2 VAL 15 0.415 -1.866 1.625 125 HG22 VAL 15 1HG2 VAL 15 1.333 -3.167 0.862 126 HG23 VAL 15 2HG2 VAL 15 1.991 -2.327 2.266 127 H GLU 16 H GLU 16 -1.649 -2.854 5.882 128 HA GLU 16 HA GLU 16 -1.065 -5.342 7.225 129 HB2 GLU 16 2HB GLU 16 -1.707 -3.162 8.375 130 HB3 GLU 16 1HB GLU 16 -3.344 -3.442 7.796 131 HG2 GLU 16 2HG GLU 16 -3.191 -4.195 10.055 132 HG3 GLU 16 1HG GLU 16 -3.356 -5.600 9.002 133 H ASN 17 H ASN 17 -1.623 -6.955 5.784 134 HA ASN 17 HA ASN 17 -4.275 -6.996 4.621 135 HB2 ASN 17 2HB ASN 17 -2.408 -7.799 3.270 136 HB3 ASN 17 1HB ASN 17 -2.007 -8.998 4.494 137 HD21 ASN 17 1HD2 ASN 17 -2.194 -10.565 2.846 138 HD22 ASN 17 2HD2 ASN 17 -3.747 -11.167 2.377 139 H LEU 18 H LEU 18 -5.980 -8.010 5.416 140 HA LEU 18 HA LEU 18 -6.004 -8.823 8.107 141 HB2 LEU 18 2HB LEU 18 -7.926 -7.865 6.831 142 HB3 LEU 18 1HB LEU 18 -8.077 -9.394 5.991 143 HG LEU 18 HG LEU 18 -8.557 -10.510 8.149 144 HD11 LEU 18 1HD1 LEU 18 -9.061 -9.149 10.109 145 HD12 LEU 18 2HD1 LEU 18 -8.556 -7.701 9.239 146 HD13 LEU 18 3HD1 LEU 18 -7.378 -8.958 9.615 147 HD21 LEU 18 3HD2 LEU 18 -10.810 -9.610 8.414 148 HD22 LEU 18 1HD2 LEU 18 -10.377 -9.746 6.710 149 HD23 LEU 18 2HD2 LEU 18 -10.348 -8.172 7.503 150 H ASN 19 H ASN 19 -5.834 -10.643 5.106 151 HA ASN 19 HA ASN 19 -5.290 -13.055 6.701 152 HB2 ASN 19 2HB ASN 19 -7.001 -12.824 4.229 153 HB3 ASN 19 1HB ASN 19 -6.282 -14.355 4.721 154 HD21 ASN 19 1HD2 ASN 19 -6.980 -15.343 6.615 155 HD22 ASN 19 2HD2 ASN 19 -8.492 -14.931 7.355 156 H GLY 20 H GLY 20 -3.092 -12.401 6.491 157 HA2 GLY 20 2HA GLY 20 -1.515 -13.704 4.729 158 HA3 GLY 20 1HA GLY 20 -1.892 -12.212 3.876 159 H SER 21 H SER 21 0.612 -12.249 4.164 160 HA SER 21 HA SER 21 1.495 -11.456 6.802 161 HB2 SER 21 2HB SER 21 3.741 -11.339 5.736 162 HB3 SER 21 1HB SER 21 2.950 -12.899 5.507 163 HG SER 21 HG SER 21 2.356 -12.202 3.402 164 H SER 22 H SER 22 1.971 -9.443 7.483 165 HA SER 22 HA SER 22 1.078 -7.161 6.079 166 HB2 SER 22 2HB SER 22 3.121 -7.129 8.303 167 HB3 SER 22 1HB SER 22 1.897 -5.915 7.927 168 HG SER 22 HG SER 22 0.410 -7.064 8.934 169 H PHE 23 H PHE 23 2.038 -6.095 4.466 170 HA PHE 23 HA PHE 23 4.843 -6.765 3.892 171 HB2 PHE 23 2HB PHE 23 3.195 -7.511 2.210 172 HB3 PHE 23 1HB PHE 23 2.677 -5.846 1.990 173 HD1 PHE 23 HD1 PHE 23 5.729 -7.965 1.815 174 HD2 PHE 23 HD2 PHE 23 3.626 -4.590 0.305 175 HE1 PHE 23 HE1 PHE 23 7.444 -7.676 0.073 176 HE2 PHE 23 HE2 PHE 23 5.336 -4.295 -1.435 177 HZ PHE 23 HZ PHE 23 7.248 -5.836 -1.556 178 H GLU 24 H GLU 24 6.320 -5.221 3.993 179 HA GLU 24 HA GLU 24 5.581 -2.447 4.314 180 HB2 GLU 24 2HB GLU 24 8.255 -3.825 4.032 181 HB3 GLU 24 1HB GLU 24 8.080 -2.087 4.218 182 HG2 GLU 24 2HG GLU 24 7.033 -2.419 6.391 183 HG3 GLU 24 1HG GLU 24 7.198 -4.166 6.203 184 H LEU 25 H LEU 25 4.825 -1.445 2.532 185 HA LEU 25 HA LEU 25 6.207 -1.995 -0.003 186 HB2 LEU 25 2HB LEU 25 3.606 -2.316 0.442 187 HB3 LEU 25 1HB LEU 25 3.578 -0.602 0.080 188 HG LEU 25 HG LEU 25 4.789 -2.637 -1.782 189 HD11 LEU 25 1HD1 LEU 25 2.431 -3.164 -1.427 190 HD12 LEU 25 2HD1 LEU 25 2.720 -2.543 -3.052 191 HD13 LEU 25 3HD1 LEU 25 2.002 -1.501 -1.825 192 HD21 LEU 25 3HD2 LEU 25 4.486 -0.874 -3.450 193 HD22 LEU 25 1HD2 LEU 25 5.526 -0.343 -2.129 194 HD23 LEU 25 2HD2 LEU 25 3.848 0.194 -2.201 195 H GLU 26 H GLU 26 7.567 -0.492 -0.629 196 HA GLU 26 HA GLU 26 7.374 2.205 0.439 197 HB2 GLU 26 2HB GLU 26 9.563 1.032 0.334 198 HB3 GLU 26 1HB GLU 26 9.430 0.999 -1.420 199 HG2 GLU 26 2HG GLU 26 9.327 3.499 -1.371 200 HG3 GLU 26 1HG GLU 26 9.704 3.414 0.349 201 H VAL 27 H VAL 27 6.282 3.722 -0.594 202 HA VAL 27 HA VAL 27 6.013 3.489 -3.517 203 HB VAL 27 HB VAL 27 3.894 4.816 -3.280 204 HG11 VAL 27 1HG1 VAL 27 3.955 2.116 -1.945 205 HG12 VAL 27 2HG1 VAL 27 3.845 2.422 -3.679 206 HG13 VAL 27 3HG1 VAL 27 2.527 2.904 -2.612 207 HG21 VAL 27 3HG2 VAL 27 4.292 5.733 -1.053 208 HG22 VAL 27 1HG2 VAL 27 4.198 4.112 -0.363 209 HG23 VAL 27 2HG2 VAL 27 2.774 4.837 -1.111 210 H ASP 28 H ASP 28 6.306 5.257 -4.741 211 HA ASP 28 HA ASP 28 7.338 7.661 -3.424 212 HB2 ASP 28 2HB ASP 28 8.667 6.685 -5.281 213 HB3 ASP 28 1HB ASP 28 7.292 6.886 -6.358 214 H TYR 29 H TYR 29 6.432 9.750 -4.048 215 HA TYR 29 HA TYR 29 3.656 9.861 -3.909 216 HB2 TYR 29 2HB TYR 29 5.750 11.863 -4.681 217 HB3 TYR 29 1HB TYR 29 4.046 12.278 -4.820 218 HD1 TYR 29 HD2 TYR 29 6.653 11.196 -2.403 219 HD2 TYR 29 HD1 TYR 29 2.807 12.935 -2.938 220 HE1 TYR 29 HE2 TYR 29 6.614 11.832 -0.031 221 HE2 TYR 29 HE1 TYR 29 2.761 13.578 -0.567 222 HH TYR 29 HH TYR 29 3.834 12.799 1.573 223 H ARG 30 H ARG 30 5.684 9.433 -6.680 224 HA ARG 30 HA ARG 30 3.708 10.358 -8.571 225 HB2 ARG 30 2HB ARG 30 5.308 10.003 -10.219 226 HB3 ARG 30 1HB ARG 30 6.288 10.379 -8.811 227 HG2 ARG 30 2HG ARG 30 6.430 7.839 -8.473 228 HG3 ARG 30 1HG ARG 30 5.845 7.731 -10.135 229 HD2 ARG 30 2HD ARG 30 8.205 7.652 -10.254 230 HD3 ARG 30 1HD ARG 30 7.738 9.274 -10.770 231 HE ARG 30 HE ARG 30 8.250 9.211 -7.976 232 HH11 ARG 30 1HH1 ARG 30 9.833 9.370 -11.105 233 HH12 ARG 30 2HH1 ARG 30 11.342 9.929 -10.445 234 HH21 ARG 30 1HH2 ARG 30 10.206 9.943 -7.113 235 HH22 ARG 30 2HH2 ARG 30 11.561 10.251 -8.168 236 H ASP 31 H ASP 31 4.081 7.489 -6.819 237 HA ASP 31 HA ASP 31 3.146 5.689 -8.873 238 HB2 ASP 31 2HB ASP 31 4.499 5.124 -6.684 239 HB3 ASP 31 1HB ASP 31 2.910 5.069 -5.944 240 H THR 32 H THR 32 1.078 4.473 -8.539 241 HA THR 32 HA THR 32 -1.010 6.239 -7.492 242 HB THR 32 HB THR 32 -1.000 6.710 -9.844 243 HG1 THR 32 HG1 THR 32 -3.089 6.343 -8.874 244 HG21 THR 32 3HG2 THR 32 -1.176 3.735 -10.309 245 HG22 THR 32 1HG2 THR 32 0.235 4.747 -10.615 246 HG23 THR 32 2HG2 THR 32 -1.240 4.984 -11.553 247 H LEU 33 H LEU 33 -3.035 5.153 -7.061 248 HA LEU 33 HA LEU 33 -2.638 2.813 -5.598 249 HB2 LEU 33 2HB LEU 33 -5.198 4.037 -6.604 250 HB3 LEU 33 1HB LEU 33 -5.113 2.745 -5.419 251 HG LEU 33 HG LEU 33 -4.030 5.547 -5.089 252 HD11 LEU 33 1HD1 LEU 33 -6.320 4.124 -3.745 253 HD12 LEU 33 2HD1 LEU 33 -6.447 5.430 -4.923 254 HD13 LEU 33 3HD1 LEU 33 -5.728 5.736 -3.342 255 HD21 LEU 33 3HD2 LEU 33 -3.992 3.229 -3.161 256 HD22 LEU 33 1HD2 LEU 33 -3.492 4.881 -2.802 257 HD23 LEU 33 2HD2 LEU 33 -2.591 3.924 -3.978 258 H LEU 34 H LEU 34 -3.527 3.285 -8.918 259 HA LEU 34 HA LEU 34 -4.467 0.701 -9.518 260 HB2 LEU 34 2HB LEU 34 -4.688 2.613 -11.036 261 HB3 LEU 34 1HB LEU 34 -2.948 2.667 -11.237 262 HG LEU 34 HG LEU 34 -3.057 0.394 -12.271 263 HD11 LEU 34 1HD1 LEU 34 -6.026 0.898 -12.165 264 HD12 LEU 34 2HD1 LEU 34 -5.145 -0.374 -11.316 265 HD13 LEU 34 3HD1 LEU 34 -5.238 -0.390 -13.077 266 HD21 LEU 34 3HD2 LEU 34 -2.910 2.392 -13.641 267 HD22 LEU 34 1HD2 LEU 34 -4.663 2.578 -13.591 268 HD23 LEU 34 2HD2 LEU 34 -3.946 1.193 -14.416 269 H VAL 35 H VAL 35 -1.196 2.084 -9.599 270 HA VAL 35 HA VAL 35 -0.034 -0.322 -10.661 271 HB VAL 35 HB VAL 35 1.199 2.255 -9.681 272 HG11 VAL 35 1HG1 VAL 35 3.303 1.480 -10.654 273 HG12 VAL 35 2HG1 VAL 35 2.571 -0.088 -11.000 274 HG13 VAL 35 3HG1 VAL 35 2.788 0.436 -9.329 275 HG21 VAL 35 3HG2 VAL 35 -0.087 2.423 -11.748 276 HG22 VAL 35 1HG2 VAL 35 0.845 1.096 -12.446 277 HG23 VAL 35 2HG2 VAL 35 1.637 2.624 -12.060 278 H VAL 36 H VAL 36 -0.029 1.310 -7.493 279 HA VAL 36 HA VAL 36 1.709 -0.490 -6.230 280 HB VAL 36 HB VAL 36 1.096 1.656 -5.229 281 HG11 VAL 36 1HG1 VAL 36 -1.263 1.693 -5.810 282 HG12 VAL 36 2HG1 VAL 36 -1.021 1.967 -4.084 283 HG13 VAL 36 3HG1 VAL 36 -1.574 0.394 -4.658 284 HG21 VAL 36 3HG2 VAL 36 0.423 -0.707 -3.488 285 HG22 VAL 36 1HG2 VAL 36 0.847 0.902 -2.906 286 HG23 VAL 36 2HG2 VAL 36 2.033 -0.056 -3.793 287 H LYS 37 H LYS 37 -1.743 -0.755 -6.915 288 HA LYS 37 HA LYS 37 -2.236 -3.029 -5.294 289 HB2 LYS 37 2HB LYS 37 -3.625 -1.820 -7.658 290 HB3 LYS 37 1HB LYS 37 -4.119 -3.400 -7.070 291 HG2 LYS 37 2HG LYS 37 -4.754 -2.528 -4.968 292 HG3 LYS 37 1HG LYS 37 -3.959 -0.986 -5.291 293 HD2 LYS 37 2HD LYS 37 -6.360 -0.749 -5.531 294 HD3 LYS 37 1HD LYS 37 -5.575 -0.552 -7.098 295 HE2 LYS 37 2HE LYS 37 -7.472 -1.892 -7.490 296 HE3 LYS 37 1HE LYS 37 -6.096 -2.990 -7.513 297 HZ1 LYS 37 3HZ LYS 37 -6.641 -3.756 -5.344 298 HZ2 LYS 37 1HZ LYS 37 -8.060 -3.813 -6.270 299 HZ3 LYS 37 2HZ LYS 37 -7.827 -2.572 -5.142 300 H GLN 38 H GLN 38 -0.790 -2.623 -8.429 301 HA GLN 38 HA GLN 38 -0.963 -5.348 -9.257 302 HB2 GLN 38 2HB GLN 38 1.126 -3.315 -10.070 303 HB3 GLN 38 1HB GLN 38 0.669 -4.765 -10.949 304 HG2 GLN 38 2HG GLN 38 -1.170 -2.441 -10.445 305 HG3 GLN 38 1HG GLN 38 -0.210 -2.651 -11.906 306 HE21 GLN 38 1HE2 GLN 38 -2.023 -2.718 -13.203 307 HE22 GLN 38 2HE2 GLN 38 -3.101 -4.071 -13.236 308 H LYS 39 H LYS 39 1.226 -3.468 -7.296 309 HA LYS 39 HA LYS 39 3.298 -5.416 -7.099 310 HB2 LYS 39 2HB LYS 39 2.567 -3.155 -5.225 311 HB3 LYS 39 1HB LYS 39 4.052 -4.088 -5.149 312 HG2 LYS 39 2HG LYS 39 4.708 -3.235 -7.341 313 HG3 LYS 39 1HG LYS 39 3.209 -2.303 -7.426 314 HD2 LYS 39 2HD LYS 39 3.858 -0.988 -5.518 315 HD3 LYS 39 1HD LYS 39 5.272 -2.004 -5.242 316 HE2 LYS 39 2HE LYS 39 5.990 0.031 -6.284 317 HE3 LYS 39 1HE LYS 39 6.148 -1.276 -7.454 318 HZ1 LYS 39 3HZ LYS 39 4.007 -0.558 -8.408 319 HZ2 LYS 39 1HZ LYS 39 5.216 0.624 -8.525 320 HZ3 LYS 39 2HZ LYS 39 4.001 0.777 -7.356 321 H ILE 40 H ILE 40 0.386 -4.682 -5.273 322 HA ILE 40 HA ILE 40 1.011 -6.400 -3.084 323 HB ILE 40 HB ILE 40 -1.663 -5.231 -3.859 324 HG12 ILE 40 2HG1 ILE 40 0.436 -4.182 -1.944 325 HG13 ILE 40 1HG1 ILE 40 0.082 -3.506 -3.531 326 HG21 ILE 40 1HG2 ILE 40 -2.231 -5.560 -1.496 327 HG22 ILE 40 2HG2 ILE 40 -0.673 -6.346 -1.238 328 HG23 ILE 40 3HG2 ILE 40 -1.868 -7.085 -2.304 329 HD11 ILE 40 3HD1 ILE 40 -1.787 -3.604 -1.175 330 HD12 ILE 40 1HD1 ILE 40 -2.189 -2.965 -2.769 331 HD13 ILE 40 2HD1 ILE 40 -0.945 -2.184 -1.794 332 H GLU 41 H GLU 41 -0.838 -6.769 -6.077 333 HA GLU 41 HA GLU 41 -2.325 -9.016 -5.373 334 HB2 GLU 41 2HB GLU 41 -2.733 -7.773 -7.454 335 HB3 GLU 41 1HB GLU 41 -1.213 -8.372 -8.112 336 HG2 GLU 41 2HG GLU 41 -2.046 -10.659 -7.976 337 HG3 GLU 41 1HG GLU 41 -3.560 -10.073 -7.301 338 H ARG 42 H ARG 42 0.960 -8.861 -6.724 339 HA ARG 42 HA ARG 42 1.077 -11.735 -6.899 340 HB2 ARG 42 2HB ARG 42 2.211 -10.267 -8.542 341 HB3 ARG 42 1HB ARG 42 3.313 -9.739 -7.277 342 HG2 ARG 42 2HG ARG 42 4.248 -11.919 -7.075 343 HG3 ARG 42 1HG ARG 42 3.004 -12.610 -8.116 344 HD2 ARG 42 2HD ARG 42 5.050 -12.384 -9.361 345 HD3 ARG 42 1HD ARG 42 3.859 -11.249 -9.986 346 HE ARG 42 HE ARG 42 5.075 -9.467 -8.965 347 HH11 ARG 42 1HH1 ARG 42 6.664 -12.581 -8.729 348 HH12 ARG 42 2HH1 ARG 42 8.248 -11.895 -8.530 349 HH21 ARG 42 1HH2 ARG 42 7.142 -8.563 -8.677 350 HH22 ARG 42 2HH2 ARG 42 8.529 -9.607 -8.487 351 H SER 43 H SER 43 1.889 -9.371 -4.518 352 HA SER 43 HA SER 43 3.746 -11.119 -3.149 353 HB2 SER 43 2HB SER 43 3.612 -9.238 -1.387 354 HB3 SER 43 1HB SER 43 4.345 -8.862 -2.946 355 HG SER 43 HG SER 43 2.720 -7.582 -3.426 356 H GLN 44 H GLN 44 0.475 -9.845 -2.598 357 HA GLN 44 HA GLN 44 0.146 -11.565 -0.278 358 HB2 GLN 44 2HB GLN 44 -1.799 -9.702 -1.649 359 HB3 GLN 44 1HB GLN 44 -2.118 -10.572 -0.157 360 HG2 GLN 44 2HG GLN 44 0.008 -8.486 -0.560 361 HG3 GLN 44 1HG GLN 44 -1.532 -8.258 0.266 362 HE21 GLN 44 1HE2 GLN 44 1.178 -7.930 1.259 363 HE22 GLN 44 2HE2 GLN 44 1.306 -8.961 2.644 364 H HIS 45 H HIS 45 -0.253 -11.772 -3.609 365 HA HIS 45 HA HIS 45 -0.980 -13.397 -4.995 366 HB2 HIS 45 2HB HIS 45 -1.492 -15.006 -2.484 367 HB3 HIS 45 1HB HIS 45 -1.485 -15.640 -4.125 368 HD1 HIS 45 HD1 HIS 45 0.995 -15.013 -5.388 369 HD2 HIS 45 HD2 HIS 45 0.849 -15.442 -1.251 370 HE1 HIS 45 HE1 HIS 45 3.359 -15.476 -4.666 371 HE2 HIS 45 HE2 HIS 45 3.274 -15.504 -2.147 372 H ILE 46 H ILE 46 -2.763 -11.381 -3.741 373 HA ILE 46 HA ILE 46 -5.320 -12.705 -4.336 374 HB ILE 46 HB ILE 46 -6.412 -10.877 -3.013 375 HG12 ILE 46 2HG1 ILE 46 -3.598 -10.404 -1.994 376 HG13 ILE 46 1HG1 ILE 46 -4.509 -9.296 -3.017 377 HG21 ILE 46 1HG2 ILE 46 -4.553 -12.738 -1.536 378 HG22 ILE 46 2HG2 ILE 46 -6.179 -13.109 -2.111 379 HG23 ILE 46 3HG2 ILE 46 -5.947 -11.918 -0.833 380 HD11 ILE 46 3HD1 ILE 46 -6.162 -9.019 -1.250 381 HD12 ILE 46 1HD1 ILE 46 -4.543 -8.598 -0.691 382 HD13 ILE 46 2HD1 ILE 46 -5.263 -10.140 -0.227 383 HA PRO 47 HA PRO 47 -5.248 -10.313 -8.056 384 HB2 PRO 47 2HB PRO 47 -8.173 -10.824 -7.896 385 HB3 PRO 47 1HB PRO 47 -7.046 -11.125 -9.224 386 HG2 PRO 47 2HG PRO 47 -7.941 -13.130 -7.734 387 HG3 PRO 47 1HG PRO 47 -6.255 -13.087 -8.284 388 HD2 PRO 47 2HD PRO 47 -7.385 -12.483 -5.583 389 HD3 PRO 47 1HD PRO 47 -5.866 -13.295 -6.018 390 H VAL 48 H VAL 48 -6.050 -8.408 -8.943 391 HA VAL 48 HA VAL 48 -6.250 -6.179 -7.429 392 HB VAL 48 HB VAL 48 -7.591 -6.673 -10.089 393 HG11 VAL 48 1HG1 VAL 48 -8.577 -4.717 -9.044 394 HG12 VAL 48 2HG1 VAL 48 -7.536 -4.238 -10.385 395 HG13 VAL 48 3HG1 VAL 48 -6.972 -4.056 -8.724 396 HG21 VAL 48 3HG2 VAL 48 -5.185 -7.050 -10.085 397 HG22 VAL 48 1HG2 VAL 48 -4.925 -5.455 -9.379 398 HG23 VAL 48 2HG2 VAL 48 -5.594 -5.603 -11.005 399 H SER 49 H SER 49 -9.119 -7.923 -8.696 400 HA SER 49 HA SER 49 -10.959 -6.118 -7.492 401 HB2 SER 49 2HB SER 49 -11.478 -8.931 -8.482 402 HB3 SER 49 1HB SER 49 -12.688 -7.678 -8.206 403 HG SER 49 HG SER 49 -10.810 -7.944 -10.264 404 H LYS 50 H LYS 50 -9.257 -8.856 -6.285 405 HA LYS 50 HA LYS 50 -11.118 -9.265 -4.093 406 HB2 LYS 50 2HB LYS 50 -8.570 -10.635 -4.913 407 HB3 LYS 50 1HB LYS 50 -9.327 -10.949 -3.358 408 HG2 LYS 50 2HG LYS 50 -11.371 -11.663 -4.501 409 HG3 LYS 50 1HG LYS 50 -10.593 -11.371 -6.057 410 HD2 LYS 50 2HD LYS 50 -9.051 -13.122 -5.733 411 HD3 LYS 50 1HD LYS 50 -9.427 -13.242 -4.012 412 HE2 LYS 50 2HE LYS 50 -10.402 -15.093 -5.276 413 HE3 LYS 50 1HE LYS 50 -11.649 -14.083 -4.546 414 HZ1 LYS 50 3HZ LYS 50 -10.777 -13.933 -7.382 415 HZ2 LYS 50 1HZ LYS 50 -12.026 -13.033 -6.666 416 HZ3 LYS 50 2HZ LYS 50 -12.178 -14.714 -6.829 417 H GLN 51 H GLN 51 -8.813 -7.080 -4.781 418 HA GLN 51 HA GLN 51 -7.720 -6.864 -2.078 419 HB2 GLN 51 2HB GLN 51 -7.066 -5.551 -4.703 420 HB3 GLN 51 1HB GLN 51 -6.451 -4.909 -3.188 421 HG2 GLN 51 2HG GLN 51 -5.249 -6.938 -2.753 422 HG3 GLN 51 1HG GLN 51 -5.981 -7.716 -4.160 423 HE21 GLN 51 1HE2 GLN 51 -5.174 -7.313 -6.165 424 HE22 GLN 51 2HE2 GLN 51 -3.752 -6.372 -6.454 425 H THR 52 H THR 52 -9.659 -6.192 -1.027 426 HA THR 52 HA THR 52 -10.890 -3.705 -1.789 427 HB THR 52 HB THR 52 -11.192 -5.301 0.764 428 HG1 THR 52 HG1 THR 52 -12.939 -6.250 -0.253 429 HG21 THR 52 3HG2 THR 52 -13.303 -4.072 1.018 430 HG22 THR 52 1HG2 THR 52 -12.933 -3.133 -0.429 431 HG23 THR 52 2HG2 THR 52 -11.923 -2.974 1.008 432 H LEU 53 H LEU 53 -9.778 -1.883 -1.546 433 HA LEU 53 HA LEU 53 -7.640 -1.645 0.359 434 HB2 LEU 53 2HB LEU 53 -8.829 0.409 -1.503 435 HB3 LEU 53 1HB LEU 53 -7.337 0.592 -0.603 436 HG LEU 53 HG LEU 53 -7.806 -1.454 -2.775 437 HD11 LEU 53 1HD1 LEU 53 -7.747 0.844 -3.629 438 HD12 LEU 53 2HD1 LEU 53 -6.326 -0.077 -4.124 439 HD13 LEU 53 3HD1 LEU 53 -6.203 1.100 -2.815 440 HD21 LEU 53 3HD2 LEU 53 -5.302 -0.690 -1.276 441 HD22 LEU 53 1HD2 LEU 53 -5.395 -1.820 -2.627 442 HD23 LEU 53 2HD2 LEU 53 -6.195 -2.201 -1.102 443 H ILE 54 H ILE 54 -8.206 -1.397 2.441 444 HA ILE 54 HA ILE 54 -10.284 0.565 3.106 445 HB ILE 54 HB ILE 54 -8.813 -1.330 4.953 446 HG12 ILE 54 2HG1 ILE 54 -11.630 -1.526 3.855 447 HG13 ILE 54 1HG1 ILE 54 -10.265 -2.489 3.297 448 HG21 ILE 54 1HG2 ILE 54 -11.229 0.421 5.411 449 HG22 ILE 54 2HG2 ILE 54 -9.622 0.657 6.098 450 HG23 ILE 54 3HG2 ILE 54 -10.584 -0.748 6.563 451 HD11 ILE 54 3HD1 ILE 54 -11.634 -3.775 4.805 452 HD12 ILE 54 1HD1 ILE 54 -11.480 -2.534 6.049 453 HD13 ILE 54 2HD1 ILE 54 -10.065 -3.459 5.547 454 H VAL 55 H VAL 55 -9.332 2.535 2.893 455 HA VAL 55 HA VAL 55 -6.749 2.940 4.236 456 HB VAL 55 HB VAL 55 -8.074 4.667 2.136 457 HG11 VAL 55 1HG1 VAL 55 -5.335 4.880 3.383 458 HG12 VAL 55 2HG1 VAL 55 -6.693 5.964 3.683 459 HG13 VAL 55 3HG1 VAL 55 -5.962 5.887 2.079 460 HG21 VAL 55 3HG2 VAL 55 -7.292 2.549 1.217 461 HG22 VAL 55 1HG2 VAL 55 -5.705 2.810 1.938 462 HG23 VAL 55 2HG2 VAL 55 -6.278 3.882 0.659 463 H ASP 56 H ASP 56 -6.921 3.702 6.180 464 HA ASP 56 HA ASP 56 -7.359 5.091 7.914 465 HB2 ASP 56 2HB ASP 56 -7.328 6.933 6.208 466 HB3 ASP 56 1HB ASP 56 -9.067 6.732 6.030 467 H GLY 57 H GLY 57 -10.395 5.290 6.088 468 HA2 GLY 57 2HA GLY 57 -11.689 3.359 7.780 469 HA3 GLY 57 1HA GLY 57 -12.195 5.010 8.113 470 H ILE 58 H ILE 58 -11.260 4.348 4.884 471 HA ILE 58 HA ILE 58 -14.058 4.042 4.048 472 HB ILE 58 HB ILE 58 -12.099 6.078 2.952 473 HG12 ILE 58 2HG1 ILE 58 -13.249 6.764 5.032 474 HG13 ILE 58 1HG1 ILE 58 -13.723 7.752 3.655 475 HG21 ILE 58 1HG2 ILE 58 -13.862 6.722 1.376 476 HG22 ILE 58 2HG2 ILE 58 -14.859 5.385 1.952 477 HG23 ILE 58 3HG2 ILE 58 -13.334 5.058 1.129 478 HD11 ILE 58 3HD1 ILE 58 -15.790 6.479 3.452 479 HD12 ILE 58 1HD1 ILE 58 -15.631 7.210 5.049 480 HD13 ILE 58 2HD1 ILE 58 -15.314 5.489 4.831 481 H VAL 59 H VAL 59 -14.318 2.703 2.303 482 HA VAL 59 HA VAL 59 -12.056 1.231 1.347 483 HB VAL 59 HB VAL 59 -14.141 0.047 1.554 484 HG11 VAL 59 1HG1 VAL 59 -15.286 1.978 -0.458 485 HG12 VAL 59 2HG1 VAL 59 -15.692 1.897 1.255 486 HG13 VAL 59 3HG1 VAL 59 -16.102 0.554 0.188 487 HG21 VAL 59 3HG2 VAL 59 -13.452 0.425 -1.357 488 HG22 VAL 59 1HG2 VAL 59 -14.348 -0.933 -0.677 489 HG23 VAL 59 2HG2 VAL 59 -12.660 -0.680 -0.234 490 H ILE 60 H ILE 60 -10.743 1.836 -0.208 491 HA ILE 60 HA ILE 60 -11.554 4.091 -1.896 492 HB ILE 60 HB ILE 60 -8.786 3.006 -1.374 493 HG12 ILE 60 2HG1 ILE 60 -9.756 4.026 0.631 494 HG13 ILE 60 1HG1 ILE 60 -8.470 5.037 -0.018 495 HG21 ILE 60 1HG2 ILE 60 -8.954 4.075 -3.549 496 HG22 ILE 60 2HG2 ILE 60 -8.002 5.066 -2.446 497 HG23 ILE 60 3HG2 ILE 60 -9.671 5.506 -2.812 498 HD11 ILE 60 3HD1 ILE 60 -10.150 6.501 -1.033 499 HD12 ILE 60 1HD1 ILE 60 -10.335 6.383 0.716 500 HD13 ILE 60 2HD1 ILE 60 -11.425 5.493 -0.345 501 H LEU 61 H LEU 61 -12.221 3.655 -3.851 502 HA LEU 61 HA LEU 61 -11.130 1.301 -5.255 503 HB2 LEU 61 2HB LEU 61 -13.665 2.845 -5.822 504 HB3 LEU 61 1HB LEU 61 -13.141 1.383 -6.635 505 HG LEU 61 HG LEU 61 -13.927 1.579 -3.723 506 HD11 LEU 61 1HD1 LEU 61 -15.887 0.290 -4.393 507 HD12 LEU 61 2HD1 LEU 61 -15.363 0.351 -6.074 508 HD13 LEU 61 3HD1 LEU 61 -15.826 1.835 -5.240 509 HD21 LEU 61 3HD2 LEU 61 -12.226 -0.129 -4.126 510 HD22 LEU 61 1HD2 LEU 61 -13.215 -0.814 -5.414 511 HD23 LEU 61 2HD2 LEU 61 -13.786 -0.859 -3.746 512 H ARG 62 H ARG 62 -10.492 4.415 -4.975 513 HA ARG 62 HA ARG 62 -10.518 5.266 -7.718 514 HB2 ARG 62 2HB ARG 62 -9.601 6.486 -5.144 515 HB3 ARG 62 1HB ARG 62 -9.068 7.177 -6.671 516 HG2 ARG 62 2HG ARG 62 -11.942 6.746 -5.904 517 HG3 ARG 62 1HG ARG 62 -11.068 8.274 -5.747 518 HD2 ARG 62 2HD ARG 62 -10.765 8.446 -8.089 519 HD3 ARG 62 1HD ARG 62 -11.297 6.785 -8.350 520 HE ARG 62 HE ARG 62 -13.271 8.539 -7.153 521 HH11 ARG 62 1HH1 ARG 62 -11.887 7.297 -10.124 522 HH12 ARG 62 2HH1 ARG 62 -13.358 7.490 -11.041 523 HH21 ARG 62 1HH2 ARG 62 -15.212 8.800 -8.350 524 HH22 ARG 62 2HH2 ARG 62 -15.244 8.361 -10.033 525 H GLU 63 H GLU 63 -9.279 3.495 -8.587 526 HA GLU 63 HA GLU 63 -6.521 3.168 -7.953 527 HB2 GLU 63 2HB GLU 63 -8.048 2.396 -10.448 528 HB3 GLU 63 1HB GLU 63 -6.423 1.857 -10.049 529 HG2 GLU 63 2HG GLU 63 -7.303 0.746 -8.044 530 HG3 GLU 63 1HG GLU 63 -8.932 1.246 -8.501 531 H ASP 64 H ASP 64 -8.230 5.514 -9.711 532 HA ASP 64 HA ASP 64 -6.128 6.078 -11.611 533 HB2 ASP 64 2HB ASP 64 -7.624 7.851 -12.415 534 HB3 ASP 64 1HB ASP 64 -8.457 6.306 -12.302 535 H LEU 65 H LEU 65 -6.493 6.798 -8.408 536 HA LEU 65 HA LEU 65 -5.384 9.500 -8.644 537 HB2 LEU 65 2HB LEU 65 -6.377 7.977 -6.236 538 HB3 LEU 65 1HB LEU 65 -5.687 9.586 -6.171 539 HG LEU 65 HG LEU 65 -8.256 8.790 -7.538 540 HD11 LEU 65 1HD1 LEU 65 -8.383 8.915 -5.096 541 HD12 LEU 65 2HD1 LEU 65 -9.297 10.214 -5.860 542 HD13 LEU 65 3HD1 LEU 65 -7.720 10.548 -5.146 543 HD21 LEU 65 3HD2 LEU 65 -6.907 11.483 -7.374 544 HD22 LEU 65 1HD2 LEU 65 -8.528 11.182 -8.000 545 HD23 LEU 65 2HD2 LEU 65 -7.125 10.511 -8.830 546 H THR 66 H THR 66 -3.355 10.051 -7.927 547 HA THR 66 HA THR 66 -1.536 7.840 -7.408 548 HB THR 66 HB THR 66 0.271 9.477 -7.682 549 HG1 THR 66 HG1 THR 66 -0.303 11.646 -8.279 550 HG21 THR 66 3HG2 THR 66 -0.596 8.387 -9.688 551 HG22 THR 66 1HG2 THR 66 -0.099 10.040 -10.047 552 HG23 THR 66 2HG2 THR 66 -1.811 9.653 -9.865 553 H VAL 67 H VAL 67 0.252 8.343 -5.744 554 HA VAL 67 HA VAL 67 -0.841 8.650 -3.177 555 HB VAL 67 HB VAL 67 2.031 9.024 -4.068 556 HG11 VAL 67 1HG1 VAL 67 2.636 8.565 -1.749 557 HG12 VAL 67 2HG1 VAL 67 0.929 8.497 -1.312 558 HG13 VAL 67 3HG1 VAL 67 1.636 10.013 -1.871 559 HG21 VAL 67 3HG2 VAL 67 2.323 6.703 -3.331 560 HG22 VAL 67 1HG2 VAL 67 1.156 6.833 -4.647 561 HG23 VAL 67 2HG2 VAL 67 0.596 6.602 -2.990 562 H GLU 68 H GLU 68 0.732 10.906 -5.352 563 HA GLU 68 HA GLU 68 0.852 13.076 -3.512 564 HB2 GLU 68 2HB GLU 68 2.415 12.798 -5.378 565 HB3 GLU 68 1HB GLU 68 1.099 13.009 -6.521 566 HG2 GLU 68 2HG GLU 68 0.805 15.300 -5.804 567 HG3 GLU 68 1HG GLU 68 2.051 15.094 -4.572 568 H GLN 69 H GLN 69 -1.604 11.843 -5.594 569 HA GLN 69 HA GLN 69 -3.069 14.362 -5.627 570 HB2 GLN 69 2HB GLN 69 -3.624 11.678 -6.881 571 HB3 GLN 69 1HB GLN 69 -4.753 13.022 -6.950 572 HG2 GLN 69 2HG GLN 69 -1.939 13.081 -8.014 573 HG3 GLN 69 1HG GLN 69 -3.384 12.793 -8.981 574 HE21 GLN 69 1HE2 GLN 69 -4.798 14.476 -9.382 575 HE22 GLN 69 2HE2 GLN 69 -4.359 16.132 -9.135 576 H CYS 70 H CYS 70 -3.387 11.097 -4.288 577 HA CYS 70 HA CYS 70 -5.963 11.688 -3.122 578 HB2 CYS 70 2HB CYS 70 -5.298 9.422 -3.985 579 HB3 CYS 70 1HB CYS 70 -4.181 9.292 -2.633 580 HG CYS 70 HG CYS 70 -6.918 10.007 -1.179 581 H GLN 71 H GLN 71 -2.730 12.117 -2.231 582 HA GLN 71 HA GLN 71 -1.661 12.820 -0.375 583 HB2 GLN 71 2HB GLN 71 -4.401 13.332 0.798 584 HB3 GLN 71 1HB GLN 71 -2.876 13.975 1.387 585 HG2 GLN 71 2HG GLN 71 -4.238 14.623 -1.209 586 HG3 GLN 71 1HG GLN 71 -4.045 15.679 0.187 587 HE21 GLN 71 1HE2 GLN 71 -3.236 16.058 -2.559 588 HE22 GLN 71 2HE2 GLN 71 -1.528 16.318 -2.548 589 H ILE 72 H ILE 72 -0.974 10.644 -0.131 590 HA ILE 72 HA ILE 72 -2.373 8.990 1.793 591 HB ILE 72 HB ILE 72 0.290 8.539 0.433 592 HG12 ILE 72 2HG1 ILE 72 -1.537 8.541 -1.172 593 HG13 ILE 72 1HG1 ILE 72 -0.971 6.894 -0.929 594 HG21 ILE 72 1HG2 ILE 72 -1.396 6.624 2.044 595 HG22 ILE 72 2HG2 ILE 72 0.128 7.346 2.562 596 HG23 ILE 72 3HG2 ILE 72 0.101 6.233 1.195 597 HD11 ILE 72 3HD1 ILE 72 -3.422 8.106 0.320 598 HD12 ILE 72 1HD1 ILE 72 -2.864 6.447 0.531 599 HD13 ILE 72 2HD1 ILE 72 -3.396 7.004 -1.056 600 H VAL 73 H VAL 73 -2.288 9.797 3.780 601 HA VAL 73 HA VAL 73 0.270 10.768 4.828 602 HB VAL 73 HB VAL 73 -1.140 11.665 6.722 603 HG11 VAL 73 1HG1 VAL 73 -0.354 13.079 4.888 604 HG12 VAL 73 2HG1 VAL 73 -1.950 13.584 5.446 605 HG13 VAL 73 3HG1 VAL 73 -1.790 12.665 3.950 606 HG21 VAL 73 3HG2 VAL 73 -3.409 10.934 4.865 607 HG22 VAL 73 1HG2 VAL 73 -3.547 11.902 6.333 608 HG23 VAL 73 2HG2 VAL 73 -3.079 10.204 6.436 609 HA PRO 74 HA PRO 74 0.736 7.128 7.243 610 HB2 PRO 74 2HB PRO 74 2.435 8.000 9.136 611 HB3 PRO 74 1HB PRO 74 2.922 7.831 7.445 612 HG2 PRO 74 2HG PRO 74 2.102 10.293 8.942 613 HG3 PRO 74 1HG PRO 74 3.450 10.072 7.811 614 HD2 PRO 74 2HD PRO 74 1.080 11.212 7.105 615 HD3 PRO 74 1HD PRO 74 2.100 10.308 5.966 616 H THR 75 H THR 75 -1.287 9.452 8.171 617 HA THR 75 HA THR 75 -1.564 8.626 10.957 618 HB THR 75 HB THR 75 -3.409 10.358 10.972 619 HG1 THR 75 HG1 THR 75 -3.948 10.621 8.859 620 HG21 THR 75 3HG2 THR 75 -1.136 10.846 11.776 621 HG22 THR 75 1HG2 THR 75 -1.871 12.255 11.010 622 HG23 THR 75 2HG2 THR 75 -0.663 11.307 10.142 623 H SER 76 H SER 76 -2.665 7.700 7.938 624 HA SER 76 HA SER 76 -5.276 6.812 8.879 625 HB2 SER 76 2HB SER 76 -5.578 6.094 6.495 626 HB3 SER 76 1HB SER 76 -5.263 7.817 6.688 627 HG SER 76 HG SER 76 -3.010 6.261 6.357 628 H ASP 77 H ASP 77 -5.859 4.687 9.117 629 HA ASP 77 HA ASP 77 -3.705 2.731 9.235 630 HB2 ASP 77 2HB ASP 77 -5.407 2.881 11.047 631 HB3 ASP 77 1HB ASP 77 -6.644 2.408 9.888 632 H ILE 78 H ILE 78 -3.205 1.521 7.523 633 HA ILE 78 HA ILE 78 -5.202 1.210 5.391 634 HB ILE 78 HB ILE 78 -2.205 0.790 5.313 635 HG12 ILE 78 2HG1 ILE 78 -2.510 2.649 3.498 636 HG13 ILE 78 1HG1 ILE 78 -4.026 2.969 4.333 637 HG21 ILE 78 1HG2 ILE 78 -2.490 0.430 2.893 638 HG22 ILE 78 2HG2 ILE 78 -4.241 0.457 3.110 639 HG23 ILE 78 3HG2 ILE 78 -3.278 -0.817 3.861 640 HD11 ILE 78 3HD1 ILE 78 -2.250 4.448 5.086 641 HD12 ILE 78 1HD1 ILE 78 -1.281 3.057 5.570 642 HD13 ILE 78 2HD1 ILE 78 -2.801 3.403 6.394 643 H GLN 79 H GLN 79 -6.301 -0.619 5.363 644 HA GLN 79 HA GLN 79 -4.857 -3.113 5.930 645 HB2 GLN 79 2HB GLN 79 -7.539 -2.284 7.005 646 HB3 GLN 79 1HB GLN 79 -7.128 -3.981 6.807 647 HG2 GLN 79 2HG GLN 79 -5.103 -3.535 8.235 648 HG3 GLN 79 1HG GLN 79 -5.803 -1.955 8.586 649 HE21 GLN 79 1HE2 GLN 79 -5.236 -4.249 10.331 650 HE22 GLN 79 2HE2 GLN 79 -6.742 -4.654 11.094 651 H LEU 80 H LEU 80 -5.782 -4.995 4.914 652 HA LEU 80 HA LEU 80 -7.353 -4.331 2.510 653 HB2 LEU 80 2HB LEU 80 -5.281 -6.487 2.907 654 HB3 LEU 80 1HB LEU 80 -6.287 -6.339 1.482 655 HG LEU 80 HG LEU 80 -4.213 -4.353 2.410 656 HD11 LEU 80 1HD1 LEU 80 -4.279 -6.195 0.021 657 HD12 LEU 80 2HD1 LEU 80 -3.281 -6.407 1.460 658 HD13 LEU 80 3HD1 LEU 80 -3.016 -5.024 0.400 659 HD21 LEU 80 3HD2 LEU 80 -6.077 -3.208 1.361 660 HD22 LEU 80 1HD2 LEU 80 -6.015 -4.318 -0.008 661 HD23 LEU 80 2HD2 LEU 80 -4.678 -3.206 0.285 662 H GLU 81 H GLU 81 -9.306 -5.217 2.412 663 HA GLU 81 HA GLU 81 -9.916 -7.523 4.110 664 HB2 GLU 81 2HB GLU 81 -11.483 -5.605 4.170 665 HB3 GLU 81 1HB GLU 81 -11.771 -5.796 2.445 666 HG2 GLU 81 2HG GLU 81 -12.729 -7.995 2.829 667 HG3 GLU 81 1HG GLU 81 -12.394 -7.854 4.553 668 H VAL 82 H VAL 82 -9.924 -9.500 3.282 669 HA VAL 82 HA VAL 82 -9.348 -9.920 0.529 670 HB VAL 82 HB VAL 82 -8.415 -11.458 2.119 671 HG11 VAL 82 1HG1 VAL 82 -9.807 -13.036 3.405 672 HG12 VAL 82 2HG1 VAL 82 -11.247 -12.175 2.858 673 HG13 VAL 82 3HG1 VAL 82 -10.064 -11.356 3.878 674 HG21 VAL 82 3HG2 VAL 82 -8.943 -12.331 -0.111 675 HG22 VAL 82 1HG2 VAL 82 -10.511 -12.877 0.482 676 HG23 VAL 82 2HG2 VAL 82 -9.031 -13.589 1.124 677 H SER 83 H SER 83 -10.800 -9.573 -0.966 678 HA SER 83 HA SER 83 -13.610 -10.190 -0.478 679 HB2 SER 83 2HB SER 83 -12.905 -7.984 -1.461 680 HB3 SER 83 1HB SER 83 -12.349 -8.854 -2.885 681 HG SER 83 HG SER 83 -14.679 -7.903 -2.603 682 H SER 84 H SER 84 -14.778 -11.158 -2.438 683 HA SER 84 HA SER 84 -13.154 -13.367 -3.509 684 HB2 SER 84 2HB SER 84 -16.140 -13.301 -2.994 685 HB3 SER 84 1HB SER 84 -15.229 -14.675 -3.620 686 HG SER 84 HG SER 84 -14.739 -13.442 -1.099 Start of MODEL 19 1 H1 MET 1 1H MET 1 18.692 21.825 -12.099 2 H2 MET 1 2H MET 1 17.807 20.872 -13.180 3 H3 MET 1 3H MET 1 19.386 21.353 -13.573 4 HA MET 1 HA MET 1 18.601 19.534 -11.373 5 HB2 MET 1 2HB MET 1 18.456 18.543 -13.641 6 HB3 MET 1 1HB MET 1 20.131 18.993 -13.930 7 HG2 MET 1 2HG MET 1 19.934 16.645 -13.353 8 HG3 MET 1 1HG MET 1 20.858 17.529 -12.139 9 HE1 MET 1 3HE MET 1 17.463 15.811 -13.026 10 HE2 MET 1 1HE MET 1 16.928 17.448 -12.652 11 HE3 MET 1 2HE MET 1 16.495 16.112 -11.584 12 H GLY 2 H GLY 2 20.098 19.205 -9.830 13 HA2 GLY 2 2HA GLY 2 22.876 19.889 -10.283 14 HA3 GLY 2 1HA GLY 2 22.032 20.932 -9.148 15 H HIS 3 H HIS 3 22.721 20.402 -7.186 16 HA HIS 3 HA HIS 3 23.567 17.781 -6.481 17 HB2 HIS 3 2HB HIS 3 23.921 18.622 -4.266 18 HB3 HIS 3 1HB HIS 3 24.398 19.884 -5.393 19 HD1 HIS 3 HD1 HIS 3 22.755 19.536 -2.316 20 HD2 HIS 3 HD2 HIS 3 21.957 21.746 -5.751 21 HE1 HIS 3 HE1 HIS 3 21.192 21.375 -1.599 22 HE2 HIS 3 HE2 HIS 3 20.789 22.752 -3.673 23 H HIS 4 H HIS 4 20.496 19.325 -6.505 24 HA HIS 4 HA HIS 4 19.278 17.320 -4.783 25 HB2 HIS 4 2HB HIS 4 18.397 19.606 -4.707 26 HB3 HIS 4 1HB HIS 4 18.048 19.549 -6.428 27 HD1 HIS 4 HD1 HIS 4 16.724 18.493 -3.110 28 HD2 HIS 4 HD2 HIS 4 15.765 18.035 -7.132 29 HE1 HIS 4 HE1 HIS 4 14.373 17.608 -3.153 30 HE2 HIS 4 HE2 HIS 4 13.740 17.590 -5.590 31 H HIS 5 H HIS 5 19.592 15.385 -5.814 32 HA HIS 5 HA HIS 5 18.108 15.031 -8.330 33 HB2 HIS 5 2HB HIS 5 20.554 15.205 -8.790 34 HB3 HIS 5 1HB HIS 5 20.823 13.822 -7.738 35 HD1 HIS 5 HD1 HIS 5 21.010 11.675 -8.944 36 HD2 HIS 5 HD2 HIS 5 18.702 14.430 -11.032 37 HE1 HIS 5 HE1 HIS 5 20.414 10.554 -11.114 38 HE2 HIS 5 HE2 HIS 5 19.242 12.340 -12.454 39 H HIS 6 H HIS 6 18.523 14.170 -5.173 40 HA HIS 6 HA HIS 6 17.835 11.350 -5.577 41 HB2 HIS 6 2HB HIS 6 19.752 11.867 -4.096 42 HB3 HIS 6 1HB HIS 6 18.678 12.781 -3.045 43 HD1 HIS 6 HD1 HIS 6 17.684 11.507 -1.159 44 HD2 HIS 6 HD2 HIS 6 18.978 9.010 -4.227 45 HE1 HIS 6 HE1 HIS 6 17.373 9.158 -0.302 46 HE2 HIS 6 HE2 HIS 6 18.340 7.679 -2.102 47 H HIS 7 H HIS 7 15.930 10.524 -5.003 48 HA HIS 7 HA HIS 7 13.802 12.328 -4.212 49 HB2 HIS 7 2HB HIS 7 13.930 9.465 -5.093 50 HB3 HIS 7 1HB HIS 7 12.490 10.059 -4.281 51 HD1 HIS 7 HD1 HIS 7 13.603 9.441 -7.526 52 HD2 HIS 7 HD2 HIS 7 11.683 12.666 -5.727 53 HE1 HIS 7 HE1 HIS 7 12.478 10.695 -9.395 54 HE2 HIS 7 HE2 HIS 7 11.194 12.542 -8.261 55 H HIS 8 H HIS 8 12.917 12.500 -2.253 56 HA HIS 8 HA HIS 8 13.563 10.447 -0.237 57 HB2 HIS 8 2HB HIS 8 13.946 12.052 1.446 58 HB3 HIS 8 1HB HIS 8 14.800 12.690 0.051 59 HD1 HIS 8 HD1 HIS 8 12.798 14.345 -1.412 60 HD2 HIS 8 HD2 HIS 8 12.826 14.108 2.742 61 HE1 HIS 8 HE1 HIS 8 11.629 16.414 -0.604 62 HE2 HIS 8 HE2 HIS 8 11.873 16.360 1.904 63 H SER 9 H SER 9 11.316 11.108 -2.124 64 HA SER 9 HA SER 9 9.149 11.952 -0.382 65 HB2 SER 9 2HB SER 9 9.100 11.282 -3.334 66 HB3 SER 9 1HB SER 9 7.860 12.145 -2.426 67 HG SER 9 HG SER 9 8.996 13.753 -3.299 68 H HIS 10 H HIS 10 10.581 9.165 -0.548 69 HA HIS 10 HA HIS 10 8.625 7.288 -1.290 70 HB2 HIS 10 2HB HIS 10 9.958 5.643 -0.106 71 HB3 HIS 10 1HB HIS 10 11.019 6.730 -0.991 72 HD1 HIS 10 HD1 HIS 10 11.349 4.932 1.816 73 HD2 HIS 10 HD2 HIS 10 11.446 9.055 1.254 74 HE1 HIS 10 HE1 HIS 10 12.568 5.868 3.810 75 HE2 HIS 10 HE2 HIS 10 12.394 8.364 3.564 76 H MET 11 H MET 11 6.678 7.054 -0.443 77 HA MET 11 HA MET 11 6.290 7.565 2.423 78 HB2 MET 11 2HB MET 11 4.342 7.351 0.125 79 HB3 MET 11 1HB MET 11 3.827 7.390 1.803 80 HG2 MET 11 2HG MET 11 5.512 9.558 0.594 81 HG3 MET 11 1HG MET 11 3.756 9.568 0.502 82 HE1 MET 11 3HE MET 11 6.900 10.192 2.709 83 HE2 MET 11 1HE MET 11 6.371 8.638 3.355 84 HE3 MET 11 2HE MET 11 6.260 10.091 4.349 85 H LYS 12 H LYS 12 6.394 5.849 3.705 86 HA LYS 12 HA LYS 12 5.757 3.214 2.583 87 HB2 LYS 12 2HB LYS 12 7.171 3.941 5.158 88 HB3 LYS 12 1HB LYS 12 6.881 2.303 4.589 89 HG2 LYS 12 2HG LYS 12 8.230 2.879 2.552 90 HG3 LYS 12 1HG LYS 12 8.653 4.391 3.357 91 HD2 LYS 12 2HD LYS 12 10.397 2.716 3.687 92 HD3 LYS 12 1HD LYS 12 9.624 3.124 5.219 93 HE2 LYS 12 2HE LYS 12 8.281 1.113 5.112 94 HE3 LYS 12 1HE LYS 12 8.936 0.727 3.525 95 HZ1 LYS 12 3HZ LYS 12 9.997 -0.557 5.289 96 HZ2 LYS 12 1HZ LYS 12 10.518 0.872 6.040 97 HZ3 LYS 12 2HZ LYS 12 11.116 0.455 4.510 98 H PHE 13 H PHE 13 3.628 2.840 2.775 99 HA PHE 13 HA PHE 13 2.356 3.527 5.322 100 HB2 PHE 13 2HB PHE 13 0.210 3.214 4.203 101 HB3 PHE 13 1HB PHE 13 1.202 4.371 3.333 102 HD1 PHE 13 HD1 PHE 13 2.368 3.596 1.212 103 HD2 PHE 13 HD2 PHE 13 -0.669 1.330 3.152 104 HE1 PHE 13 HE1 PHE 13 1.962 2.343 -0.872 105 HE2 PHE 13 HE2 PHE 13 -1.068 0.078 1.075 106 HZ PHE 13 HZ PHE 13 0.249 0.585 -0.939 107 H LEU 14 H LEU 14 1.631 2.034 6.695 108 HA LEU 14 HA LEU 14 2.636 -0.635 6.359 109 HB2 LEU 14 2HB LEU 14 2.770 0.541 8.517 110 HB3 LEU 14 1HB LEU 14 1.020 0.583 8.601 111 HG LEU 14 HG LEU 14 0.995 -1.897 8.683 112 HD11 LEU 14 1HD1 LEU 14 3.102 -2.332 7.541 113 HD12 LEU 14 2HD1 LEU 14 3.081 -3.093 9.133 114 HD13 LEU 14 3HD1 LEU 14 3.990 -1.604 8.880 115 HD21 LEU 14 3HD2 LEU 14 1.817 -2.075 10.983 116 HD22 LEU 14 1HD2 LEU 14 0.887 -0.598 10.730 117 HD23 LEU 14 2HD2 LEU 14 2.648 -0.531 10.802 118 H VAL 15 H VAL 15 1.581 -2.107 5.269 119 HA VAL 15 HA VAL 15 -1.336 -1.963 5.037 120 HB VAL 15 HB VAL 15 0.527 -3.873 3.625 121 HG11 VAL 15 1HG1 VAL 15 -1.818 -4.506 3.624 122 HG12 VAL 15 2HG1 VAL 15 -1.285 -4.050 2.007 123 HG13 VAL 15 3HG1 VAL 15 -2.258 -2.931 2.963 124 HG21 VAL 15 3HG2 VAL 15 -0.389 -1.154 2.703 125 HG22 VAL 15 1HG2 VAL 15 0.441 -2.345 1.701 126 HG23 VAL 15 2HG2 VAL 15 1.262 -1.640 3.092 127 H GLU 16 H GLU 16 -2.593 -3.258 6.279 128 HA GLU 16 HA GLU 16 -1.361 -5.731 7.292 129 HB2 GLU 16 2HB GLU 16 -2.292 -4.060 8.988 130 HB3 GLU 16 1HB GLU 16 -3.887 -4.494 8.383 131 HG2 GLU 16 2HG GLU 16 -3.414 -6.855 8.945 132 HG3 GLU 16 1HG GLU 16 -1.882 -6.348 9.649 133 H ASN 17 H ASN 17 -1.781 -7.289 5.893 134 HA ASN 17 HA ASN 17 -4.419 -7.448 4.649 135 HB2 ASN 17 2HB ASN 17 -2.472 -7.696 3.177 136 HB3 ASN 17 1HB ASN 17 -1.898 -9.050 4.144 137 HD21 ASN 17 1HD2 ASN 17 -1.911 -10.285 2.215 138 HD22 ASN 17 2HD2 ASN 17 -3.388 -10.952 1.607 139 H LEU 18 H LEU 18 -5.933 -8.671 5.497 140 HA LEU 18 HA LEU 18 -5.531 -10.091 7.902 141 HB2 LEU 18 2HB LEU 18 -7.646 -8.997 7.230 142 HB3 LEU 18 1HB LEU 18 -7.866 -10.218 5.993 143 HG LEU 18 HG LEU 18 -7.981 -11.948 7.775 144 HD11 LEU 18 1HD1 LEU 18 -6.718 -10.793 9.504 145 HD12 LEU 18 2HD1 LEU 18 -8.324 -11.231 10.088 146 HD13 LEU 18 3HD1 LEU 18 -7.977 -9.565 9.623 147 HD21 LEU 18 3HD2 LEU 18 -9.961 -9.686 7.991 148 HD22 LEU 18 1HD2 LEU 18 -10.225 -11.341 8.541 149 HD23 LEU 18 2HD2 LEU 18 -10.005 -11.008 6.823 150 H ASN 19 H ASN 19 -5.535 -11.075 4.564 151 HA ASN 19 HA ASN 19 -5.534 -13.908 5.299 152 HB2 ASN 19 2HB ASN 19 -6.985 -13.126 3.437 153 HB3 ASN 19 1HB ASN 19 -5.553 -12.609 2.560 154 HD21 ASN 19 1HD2 ASN 19 -7.405 -15.327 3.692 155 HD22 ASN 19 2HD2 ASN 19 -6.665 -16.508 2.660 156 H GLY 20 H GLY 20 -3.342 -11.453 4.940 157 HA2 GLY 20 2HA GLY 20 -1.225 -13.303 4.045 158 HA3 GLY 20 1HA GLY 20 -1.319 -11.656 3.442 159 H SER 21 H SER 21 0.242 -10.465 4.303 160 HA SER 21 HA SER 21 0.807 -10.766 7.177 161 HB2 SER 21 2HB SER 21 2.958 -10.325 5.099 162 HB3 SER 21 1HB SER 21 3.162 -10.755 6.798 163 HG SER 21 HG SER 21 2.105 -12.364 4.707 164 H SER 22 H SER 22 1.662 -8.884 8.205 165 HA SER 22 HA SER 22 0.819 -6.398 7.031 166 HB2 SER 22 2HB SER 22 0.727 -6.973 9.511 167 HB3 SER 22 1HB SER 22 2.475 -6.745 9.538 168 HG SER 22 HG SER 22 0.893 -4.733 8.410 169 H PHE 23 H PHE 23 2.019 -5.105 5.772 170 HA PHE 23 HA PHE 23 4.940 -5.427 5.764 171 HB2 PHE 23 2HB PHE 23 4.058 -6.898 4.021 172 HB3 PHE 23 1HB PHE 23 3.131 -5.570 3.336 173 HD1 PHE 23 HD1 PHE 23 6.595 -6.701 4.025 174 HD2 PHE 23 HD2 PHE 23 4.051 -4.216 1.690 175 HE1 PHE 23 HE1 PHE 23 8.488 -6.159 2.550 176 HE2 PHE 23 HE2 PHE 23 5.936 -3.668 0.208 177 HZ PHE 23 HZ PHE 23 8.157 -4.640 0.639 178 H GLU 24 H GLU 24 6.073 -3.561 5.339 179 HA GLU 24 HA GLU 24 4.526 -1.097 5.163 180 HB2 GLU 24 2HB GLU 24 7.518 -1.501 5.348 181 HB3 GLU 24 1HB GLU 24 6.680 0.039 5.468 182 HG2 GLU 24 2HG GLU 24 5.569 -0.761 7.515 183 HG3 GLU 24 1HG GLU 24 6.495 -2.261 7.401 184 H LEU 25 H LEU 25 3.813 -0.722 3.140 185 HA LEU 25 HA LEU 25 5.503 -1.411 0.873 186 HB2 LEU 25 2HB LEU 25 2.803 -1.510 1.257 187 HB3 LEU 25 1HB LEU 25 2.968 -0.004 0.378 188 HG LEU 25 HG LEU 25 4.023 -2.662 -0.590 189 HD11 LEU 25 1HD1 LEU 25 2.156 -2.610 -2.165 190 HD12 LEU 25 2HD1 LEU 25 1.539 -1.157 -1.381 191 HD13 LEU 25 3HD1 LEU 25 1.596 -2.679 -0.493 192 HD21 LEU 25 3HD2 LEU 25 5.251 -0.743 -1.470 193 HD22 LEU 25 1HD2 LEU 25 3.736 -0.002 -1.985 194 HD23 LEU 25 2HD2 LEU 25 4.278 -1.507 -2.729 195 H GLU 26 H GLU 26 6.814 -0.019 -0.061 196 HA GLU 26 HA GLU 26 6.647 2.794 0.735 197 HB2 GLU 26 2HB GLU 26 8.756 1.618 1.176 198 HB3 GLU 26 1HB GLU 26 8.904 1.238 -0.534 199 HG2 GLU 26 2HG GLU 26 9.095 3.609 -1.055 200 HG3 GLU 26 1HG GLU 26 8.922 4.003 0.656 201 H VAL 27 H VAL 27 5.558 4.027 -0.607 202 HA VAL 27 HA VAL 27 5.925 3.649 -3.511 203 HB VAL 27 HB VAL 27 3.382 4.529 -2.123 204 HG11 VAL 27 1HG1 VAL 27 3.937 3.952 -5.028 205 HG12 VAL 27 2HG1 VAL 27 3.637 5.538 -4.317 206 HG13 VAL 27 3HG1 VAL 27 2.358 4.322 -4.336 207 HG21 VAL 27 3HG2 VAL 27 4.053 1.914 -3.463 208 HG22 VAL 27 1HG2 VAL 27 2.458 2.381 -2.873 209 HG23 VAL 27 2HG2 VAL 27 3.791 2.170 -1.739 210 H ASP 28 H ASP 28 6.214 5.493 -4.725 211 HA ASP 28 HA ASP 28 6.879 7.914 -3.272 212 HB2 ASP 28 2HB ASP 28 8.357 7.094 -5.077 213 HB3 ASP 28 1HB ASP 28 7.043 7.279 -6.232 214 H TYR 29 H TYR 29 6.014 10.018 -3.912 215 HA TYR 29 HA TYR 29 3.235 10.145 -3.829 216 HB2 TYR 29 2HB TYR 29 5.294 12.185 -4.655 217 HB3 TYR 29 1HB TYR 29 3.580 12.562 -4.611 218 HD1 TYR 29 HD2 TYR 29 6.324 11.266 -2.446 219 HD2 TYR 29 HD1 TYR 29 2.640 13.379 -2.651 220 HE1 TYR 29 HE2 TYR 29 6.543 11.864 -0.074 221 HE2 TYR 29 HE1 TYR 29 2.851 13.983 -0.277 222 HH TYR 29 HH TYR 29 3.977 13.223 1.726 223 H ARG 30 H ARG 30 5.365 9.920 -6.575 224 HA ARG 30 HA ARG 30 3.531 10.962 -8.498 225 HB2 ARG 30 2HB ARG 30 5.914 11.074 -8.885 226 HB3 ARG 30 1HB ARG 30 6.047 9.325 -8.806 227 HG2 ARG 30 2HG ARG 30 4.684 9.134 -10.831 228 HG3 ARG 30 1HG ARG 30 4.575 10.894 -10.911 229 HD2 ARG 30 2HD ARG 30 6.888 11.115 -11.326 230 HD3 ARG 30 1HD ARG 30 7.203 9.437 -10.884 231 HE ARG 30 HE ARG 30 5.423 9.518 -13.061 232 HH11 ARG 30 1HH1 ARG 30 8.762 10.236 -12.311 233 HH12 ARG 30 2HH1 ARG 30 9.348 9.761 -13.880 234 HH21 ARG 30 1HH2 ARG 30 6.177 8.879 -15.115 235 HH22 ARG 30 2HH2 ARG 30 7.874 9.006 -15.477 236 H ASP 31 H ASP 31 3.930 7.838 -7.051 237 HA ASP 31 HA ASP 31 2.762 6.412 -9.265 238 HB2 ASP 31 2HB ASP 31 3.488 5.598 -6.464 239 HB3 ASP 31 1HB ASP 31 2.571 4.531 -7.523 240 H THR 32 H THR 32 0.791 4.993 -8.829 241 HA THR 32 HA THR 32 -1.241 6.582 -7.427 242 HB THR 32 HB THR 32 -1.339 7.124 -9.823 243 HG1 THR 32 HG1 THR 32 -3.477 7.060 -9.825 244 HG21 THR 32 3HG2 THR 32 -1.988 5.449 -11.466 245 HG22 THR 32 1HG2 THR 32 -1.932 4.193 -10.229 246 HG23 THR 32 2HG2 THR 32 -0.451 5.017 -10.717 247 H LEU 33 H LEU 33 -3.311 5.356 -7.169 248 HA LEU 33 HA LEU 33 -2.829 3.035 -5.695 249 HB2 LEU 33 2HB LEU 33 -5.399 4.112 -6.847 250 HB3 LEU 33 1HB LEU 33 -5.314 2.791 -5.698 251 HG LEU 33 HG LEU 33 -4.326 5.591 -5.156 252 HD11 LEU 33 1HD1 LEU 33 -6.286 5.791 -3.716 253 HD12 LEU 33 2HD1 LEU 33 -6.842 4.204 -4.247 254 HD13 LEU 33 3HD1 LEU 33 -6.750 5.537 -5.398 255 HD21 LEU 33 3HD2 LEU 33 -3.149 3.870 -3.885 256 HD22 LEU 33 1HD2 LEU 33 -4.692 3.214 -3.336 257 HD23 LEU 33 2HD2 LEU 33 -4.195 4.833 -2.840 258 H LEU 34 H LEU 34 -3.847 3.470 -9.021 259 HA LEU 34 HA LEU 34 -4.629 0.822 -9.551 260 HB2 LEU 34 2HB LEU 34 -5.128 2.791 -10.977 261 HB3 LEU 34 1HB LEU 34 -3.446 2.833 -11.468 262 HG LEU 34 HG LEU 34 -3.717 0.581 -12.478 263 HD11 LEU 34 1HD1 LEU 34 -5.969 -0.307 -12.805 264 HD12 LEU 34 2HD1 LEU 34 -6.629 0.987 -11.805 265 HD13 LEU 34 3HD1 LEU 34 -5.556 -0.219 -11.094 266 HD21 LEU 34 3HD2 LEU 34 -3.919 2.547 -13.873 267 HD22 LEU 34 1HD2 LEU 34 -5.619 2.713 -13.437 268 HD23 LEU 34 2HD2 LEU 34 -5.085 1.328 -14.389 269 H VAL 35 H VAL 35 -1.495 2.275 -9.260 270 HA VAL 35 HA VAL 35 -0.189 0.042 -10.613 271 HB VAL 35 HB VAL 35 0.975 2.587 -9.466 272 HG11 VAL 35 1HG1 VAL 35 2.320 0.420 -11.082 273 HG12 VAL 35 2HG1 VAL 35 2.607 0.770 -9.377 274 HG13 VAL 35 3HG1 VAL 35 3.048 1.956 -10.606 275 HG21 VAL 35 3HG2 VAL 35 0.506 1.716 -12.317 276 HG22 VAL 35 1HG2 VAL 35 1.298 3.211 -11.812 277 HG23 VAL 35 2HG2 VAL 35 -0.406 2.945 -11.440 278 H VAL 36 H VAL 36 -0.500 1.454 -7.385 279 HA VAL 36 HA VAL 36 1.488 -0.146 -6.166 280 HB VAL 36 HB VAL 36 0.561 1.913 -5.119 281 HG11 VAL 36 1HG1 VAL 36 -1.523 1.805 -3.864 282 HG12 VAL 36 2HG1 VAL 36 -1.817 0.179 -4.479 283 HG13 VAL 36 3HG1 VAL 36 -1.802 1.550 -5.587 284 HG21 VAL 36 3HG2 VAL 36 0.406 -0.585 -3.440 285 HG22 VAL 36 1HG2 VAL 36 0.570 1.059 -2.821 286 HG23 VAL 36 2HG2 VAL 36 1.858 0.353 -3.796 287 H LYS 37 H LYS 37 -1.866 -0.714 -6.937 288 HA LYS 37 HA LYS 37 -2.300 -2.984 -5.326 289 HB2 LYS 37 2HB LYS 37 -3.527 -2.114 -7.940 290 HB3 LYS 37 1HB LYS 37 -4.074 -3.524 -7.043 291 HG2 LYS 37 2HG LYS 37 -4.748 -2.172 -5.195 292 HG3 LYS 37 1HG LYS 37 -4.013 -0.736 -5.913 293 HD2 LYS 37 2HD LYS 37 -6.433 -0.732 -6.227 294 HD3 LYS 37 1HD LYS 37 -5.594 -0.857 -7.774 295 HE2 LYS 37 2HE LYS 37 -7.382 -2.400 -7.864 296 HE3 LYS 37 1HE LYS 37 -5.921 -3.352 -7.614 297 HZ1 LYS 37 3HZ LYS 37 -6.495 -3.311 -5.190 298 HZ2 LYS 37 1HZ LYS 37 -7.555 -4.198 -6.171 299 HZ3 LYS 37 2HZ LYS 37 -7.999 -2.657 -5.622 300 H GLN 38 H GLN 38 -0.659 -2.546 -8.366 301 HA GLN 38 HA GLN 38 -0.566 -5.269 -9.159 302 HB2 GLN 38 2HB GLN 38 1.456 -3.104 -9.775 303 HB3 GLN 38 1HB GLN 38 1.199 -4.591 -10.676 304 HG2 GLN 38 2HG GLN 38 -1.038 -3.814 -11.305 305 HG3 GLN 38 1HG GLN 38 -0.757 -2.315 -10.419 306 HE21 GLN 38 1HE2 GLN 38 -1.339 -2.691 -13.233 307 HE22 GLN 38 2HE2 GLN 38 -0.017 -1.995 -14.105 308 H LYS 39 H LYS 39 1.575 -3.192 -7.284 309 HA LYS 39 HA LYS 39 3.586 -5.063 -6.698 310 HB2 LYS 39 2HB LYS 39 2.562 -2.684 -5.137 311 HB3 LYS 39 1HB LYS 39 3.980 -3.610 -4.672 312 HG2 LYS 39 2HG LYS 39 5.174 -2.925 -6.593 313 HG3 LYS 39 1HG LYS 39 3.722 -2.255 -7.341 314 HD2 LYS 39 2HD LYS 39 3.614 -0.498 -5.732 315 HD3 LYS 39 1HD LYS 39 4.867 -1.248 -4.744 316 HE2 LYS 39 2HE LYS 39 5.343 -0.296 -7.559 317 HE3 LYS 39 1HE LYS 39 5.588 0.730 -6.145 318 HZ1 LYS 39 3HZ LYS 39 7.665 -0.256 -6.760 319 HZ2 LYS 39 1HZ LYS 39 6.998 -1.815 -6.763 320 HZ3 LYS 39 2HZ LYS 39 7.160 -0.961 -5.306 321 H ILE 40 H ILE 40 0.640 -4.172 -4.955 322 HA ILE 40 HA ILE 40 0.988 -5.806 -2.721 323 HB ILE 40 HB ILE 40 -1.613 -4.936 -3.993 324 HG12 ILE 40 2HG1 ILE 40 0.000 -3.675 -1.765 325 HG13 ILE 40 1HG1 ILE 40 -0.064 -3.084 -3.422 326 HG21 ILE 40 1HG2 ILE 40 -1.915 -6.781 -2.409 327 HG22 ILE 40 2HG2 ILE 40 -2.596 -5.278 -1.787 328 HG23 ILE 40 3HG2 ILE 40 -1.047 -5.861 -1.180 329 HD11 ILE 40 3HD1 ILE 40 -2.401 -3.248 -1.529 330 HD12 ILE 40 1HD1 ILE 40 -2.432 -2.605 -3.171 331 HD13 ILE 40 2HD1 ILE 40 -1.487 -1.790 -1.924 332 H GLU 41 H GLU 41 -0.480 -6.492 -5.852 333 HA GLU 41 HA GLU 41 -1.626 -8.974 -5.245 334 HB2 GLU 41 2HB GLU 41 -2.151 -7.769 -7.303 335 HB3 GLU 41 1HB GLU 41 -0.499 -7.966 -7.866 336 HG2 GLU 41 2HG GLU 41 -0.810 -10.384 -7.949 337 HG3 GLU 41 1HG GLU 41 -2.471 -10.188 -7.392 338 H ARG 42 H ARG 42 1.609 -8.154 -6.420 339 HA ARG 42 HA ARG 42 2.390 -10.907 -6.668 340 HB2 ARG 42 2HB ARG 42 3.240 -8.989 -8.077 341 HB3 ARG 42 1HB ARG 42 4.176 -8.475 -6.682 342 HG2 ARG 42 2HG ARG 42 5.437 -10.531 -6.719 343 HG3 ARG 42 1HG ARG 42 4.433 -11.157 -8.031 344 HD2 ARG 42 2HD ARG 42 6.248 -8.751 -8.149 345 HD3 ARG 42 1HD ARG 42 6.533 -10.317 -8.909 346 HE ARG 42 HE ARG 42 4.199 -9.625 -10.006 347 HH11 ARG 42 1HH1 ARG 42 7.142 -7.797 -9.543 348 HH12 ARG 42 2HH1 ARG 42 6.914 -6.807 -10.948 349 HH21 ARG 42 1HH2 ARG 42 3.883 -8.330 -11.872 350 HH22 ARG 42 2HH2 ARG 42 5.049 -7.100 -12.270 351 H SER 43 H SER 43 2.582 -8.458 -4.217 352 HA SER 43 HA SER 43 4.635 -9.837 -2.711 353 HB2 SER 43 2HB SER 43 2.976 -7.449 -1.879 354 HB3 SER 43 1HB SER 43 4.505 -7.982 -1.177 355 HG SER 43 HG SER 43 4.054 -6.930 -3.778 356 H GLN 44 H GLN 44 1.179 -9.066 -2.261 357 HA GLN 44 HA GLN 44 1.099 -10.695 0.149 358 HB2 GLN 44 2HB GLN 44 -0.978 -8.996 -1.234 359 HB3 GLN 44 1HB GLN 44 -1.311 -9.953 0.202 360 HG2 GLN 44 2HG GLN 44 0.755 -7.772 0.035 361 HG3 GLN 44 1HG GLN 44 -0.873 -7.576 0.680 362 HE21 GLN 44 1HE2 GLN 44 1.703 -7.223 1.995 363 HE22 GLN 44 2HE2 GLN 44 1.689 -8.282 3.360 364 H HIS 45 H HIS 45 0.795 -11.204 -3.118 365 HA HIS 45 HA HIS 45 0.258 -13.029 -4.343 366 HB2 HIS 45 2HB HIS 45 -0.038 -14.258 -1.610 367 HB3 HIS 45 1HB HIS 45 -0.341 -15.172 -3.082 368 HD1 HIS 45 HD1 HIS 45 1.612 -16.354 -4.007 369 HD2 HIS 45 HD2 HIS 45 2.737 -13.148 -1.609 370 HE1 HIS 45 HE1 HIS 45 4.123 -16.441 -3.893 371 HE2 HIS 45 HE2 HIS 45 4.767 -14.593 -2.299 372 H ILE 46 H ILE 46 -1.820 -11.106 -3.084 373 HA ILE 46 HA ILE 46 -4.181 -12.713 -3.757 374 HB ILE 46 HB ILE 46 -5.497 -10.819 -2.746 375 HG12 ILE 46 2HG1 ILE 46 -2.794 -10.002 -1.656 376 HG13 ILE 46 1HG1 ILE 46 -3.700 -9.114 -2.876 377 HG21 ILE 46 1HG2 ILE 46 -3.598 -12.329 -0.956 378 HG22 ILE 46 2HG2 ILE 46 -5.159 -12.890 -1.554 379 HG23 ILE 46 3HG2 ILE 46 -5.082 -11.535 -0.429 380 HD11 ILE 46 3HD1 ILE 46 -3.943 -8.103 -0.686 381 HD12 ILE 46 1HD1 ILE 46 -4.583 -9.618 -0.046 382 HD13 ILE 46 2HD1 ILE 46 -5.486 -8.726 -1.269 383 HA PRO 47 HA PRO 47 -4.226 -10.864 -7.764 384 HB2 PRO 47 2HB PRO 47 -7.153 -11.321 -7.426 385 HB3 PRO 47 1HB PRO 47 -6.092 -11.762 -8.769 386 HG2 PRO 47 2HG PRO 47 -6.893 -13.608 -7.036 387 HG3 PRO 47 1HG PRO 47 -5.226 -13.611 -7.643 388 HD2 PRO 47 2HD PRO 47 -6.280 -12.732 -4.991 389 HD3 PRO 47 1HD PRO 47 -4.752 -13.546 -5.386 390 H VAL 48 H VAL 48 -4.709 -8.967 -8.721 391 HA VAL 48 HA VAL 48 -4.920 -6.716 -7.147 392 HB VAL 48 HB VAL 48 -3.956 -6.721 -9.391 393 HG11 VAL 48 1HG1 VAL 48 -5.387 -6.600 -11.382 394 HG12 VAL 48 2HG1 VAL 48 -6.798 -6.927 -10.376 395 HG13 VAL 48 3HG1 VAL 48 -5.533 -8.145 -10.544 396 HG21 VAL 48 3HG2 VAL 48 -4.615 -4.591 -8.402 397 HG22 VAL 48 1HG2 VAL 48 -6.213 -4.739 -9.131 398 HG23 VAL 48 2HG2 VAL 48 -4.788 -4.564 -10.156 399 H SER 49 H SER 49 -7.539 -8.481 -8.707 400 HA SER 49 HA SER 49 -9.461 -6.387 -8.303 401 HB2 SER 49 2HB SER 49 -9.920 -9.274 -9.078 402 HB3 SER 49 1HB SER 49 -11.060 -7.940 -9.263 403 HG SER 49 HG SER 49 -9.564 -8.671 -11.115 404 H LYS 50 H LYS 50 -8.266 -8.988 -6.410 405 HA LYS 50 HA LYS 50 -10.670 -9.170 -4.777 406 HB2 LYS 50 2HB LYS 50 -8.005 -10.582 -4.566 407 HB3 LYS 50 1HB LYS 50 -9.363 -10.864 -3.485 408 HG2 LYS 50 2HG LYS 50 -10.709 -11.549 -5.464 409 HG3 LYS 50 1HG LYS 50 -9.246 -11.413 -6.441 410 HD2 LYS 50 2HD LYS 50 -8.151 -13.081 -5.004 411 HD3 LYS 50 1HD LYS 50 -9.642 -13.239 -4.070 412 HE2 LYS 50 2HE LYS 50 -10.815 -13.976 -6.095 413 HE3 LYS 50 1HE LYS 50 -9.312 -13.837 -7.007 414 HZ1 LYS 50 3HZ LYS 50 -8.358 -15.482 -5.389 415 HZ2 LYS 50 1HZ LYS 50 -9.544 -16.093 -6.432 416 HZ3 LYS 50 2HZ LYS 50 -9.937 -15.745 -4.823 417 H GLN 51 H GLN 51 -8.193 -7.077 -4.985 418 HA GLN 51 HA GLN 51 -7.602 -6.782 -2.165 419 HB2 GLN 51 2HB GLN 51 -6.766 -5.169 -4.572 420 HB3 GLN 51 1HB GLN 51 -6.208 -4.871 -2.934 421 HG2 GLN 51 2HG GLN 51 -5.054 -6.941 -2.865 422 HG3 GLN 51 1HG GLN 51 -5.798 -7.471 -4.373 423 HE21 GLN 51 1HE2 GLN 51 -3.762 -7.797 -5.308 424 HE22 GLN 51 2HE2 GLN 51 -2.785 -6.465 -5.832 425 H THR 52 H THR 52 -9.509 -6.124 -1.173 426 HA THR 52 HA THR 52 -10.844 -3.711 -2.049 427 HB THR 52 HB THR 52 -11.131 -5.183 0.579 428 HG1 THR 52 HG1 THR 52 -11.944 -6.662 -0.706 429 HG21 THR 52 3HG2 THR 52 -12.015 -2.915 0.640 430 HG22 THR 52 1HG2 THR 52 -13.331 -4.089 0.667 431 HG23 THR 52 2HG2 THR 52 -12.950 -3.223 -0.822 432 H LEU 53 H LEU 53 -9.758 -1.861 -1.832 433 HA LEU 53 HA LEU 53 -7.682 -1.573 0.148 434 HB2 LEU 53 2HB LEU 53 -8.719 0.382 -1.902 435 HB3 LEU 53 1HB LEU 53 -7.292 0.617 -0.913 436 HG LEU 53 HG LEU 53 -7.645 -1.535 -3.004 437 HD11 LEU 53 1HD1 LEU 53 -5.954 -0.270 -4.244 438 HD12 LEU 53 2HD1 LEU 53 -5.983 0.980 -3.000 439 HD13 LEU 53 3HD1 LEU 53 -7.418 0.677 -3.981 440 HD21 LEU 53 3HD2 LEU 53 -5.261 -0.806 -1.302 441 HD22 LEU 53 1HD2 LEU 53 -5.264 -1.980 -2.618 442 HD23 LEU 53 2HD2 LEU 53 -6.223 -2.279 -1.170 443 H ILE 54 H ILE 54 -8.732 -1.501 2.141 444 HA ILE 54 HA ILE 54 -10.641 0.647 2.612 445 HB ILE 54 HB ILE 54 -9.458 -1.328 4.579 446 HG12 ILE 54 2HG1 ILE 54 -12.134 -1.346 3.151 447 HG13 ILE 54 1HG1 ILE 54 -10.789 -2.438 2.833 448 HG21 ILE 54 1HG2 ILE 54 -11.806 0.553 4.845 449 HG22 ILE 54 2HG2 ILE 54 -10.250 0.706 5.658 450 HG23 ILE 54 3HG2 ILE 54 -11.311 -0.648 6.038 451 HD11 ILE 54 3HD1 ILE 54 -10.998 -3.343 5.093 452 HD12 ILE 54 1HD1 ILE 54 -12.491 -3.520 4.171 453 HD13 ILE 54 2HD1 ILE 54 -12.355 -2.258 5.396 454 H VAL 55 H VAL 55 -9.632 2.568 2.521 455 HA VAL 55 HA VAL 55 -7.148 2.918 4.077 456 HB VAL 55 HB VAL 55 -8.093 4.512 1.679 457 HG11 VAL 55 1HG1 VAL 55 -6.801 5.859 3.252 458 HG12 VAL 55 2HG1 VAL 55 -5.898 5.576 1.763 459 HG13 VAL 55 3HG1 VAL 55 -5.506 4.662 3.219 460 HG21 VAL 55 3HG2 VAL 55 -5.871 2.487 1.914 461 HG22 VAL 55 1HG2 VAL 55 -6.210 3.479 0.496 462 HG23 VAL 55 2HG2 VAL 55 -7.383 2.276 1.032 463 H ASP 56 H ASP 56 -7.250 4.229 5.768 464 HA ASP 56 HA ASP 56 -7.770 5.987 7.123 465 HB2 ASP 56 2HB ASP 56 -7.862 7.450 5.197 466 HB3 ASP 56 1HB ASP 56 -9.481 6.892 4.796 467 H GLY 57 H GLY 57 -10.181 4.003 5.726 468 HA2 GLY 57 2HA GLY 57 -11.562 2.980 7.637 469 HA3 GLY 57 1HA GLY 57 -12.096 4.642 7.867 470 H ILE 58 H ILE 58 -11.588 4.410 4.668 471 HA ILE 58 HA ILE 58 -14.254 3.315 4.053 472 HB ILE 58 HB ILE 58 -13.061 5.779 2.759 473 HG12 ILE 58 2HG1 ILE 58 -15.351 5.635 4.736 474 HG13 ILE 58 1HG1 ILE 58 -13.722 6.171 5.135 475 HG21 ILE 58 1HG2 ILE 58 -15.805 4.544 2.535 476 HG22 ILE 58 2HG2 ILE 58 -14.542 4.506 1.304 477 HG23 ILE 58 3HG2 ILE 58 -15.282 6.041 1.760 478 HD11 ILE 58 3HD1 ILE 58 -13.945 8.033 3.592 479 HD12 ILE 58 1HD1 ILE 58 -15.238 8.045 4.792 480 HD13 ILE 58 2HD1 ILE 58 -15.562 7.486 3.151 481 H VAL 59 H VAL 59 -14.344 2.086 2.166 482 HA VAL 59 HA VAL 59 -11.887 1.239 1.012 483 HB VAL 59 HB VAL 59 -13.786 -0.284 1.076 484 HG11 VAL 59 1HG1 VAL 59 -15.111 1.578 -0.892 485 HG12 VAL 59 2HG1 VAL 59 -15.597 1.326 0.786 486 HG13 VAL 59 3HG1 VAL 59 -15.723 0.005 -0.378 487 HG21 VAL 59 3HG2 VAL 59 -12.960 0.429 -1.737 488 HG22 VAL 59 1HG2 VAL 59 -13.707 -1.093 -1.249 489 HG23 VAL 59 2HG2 VAL 59 -12.111 -0.657 -0.636 490 H ILE 60 H ILE 60 -10.737 2.143 -0.551 491 HA ILE 60 HA ILE 60 -11.841 4.457 -1.933 492 HB ILE 60 HB ILE 60 -9.030 3.354 -2.090 493 HG12 ILE 60 2HG1 ILE 60 -9.582 4.022 0.209 494 HG13 ILE 60 1HG1 ILE 60 -8.435 5.148 -0.509 495 HG21 ILE 60 1HG2 ILE 60 -10.163 6.038 -2.879 496 HG22 ILE 60 2HG2 ILE 60 -9.660 4.761 -3.985 497 HG23 ILE 60 3HG2 ILE 60 -8.466 5.567 -2.969 498 HD11 ILE 60 3HD1 ILE 60 -10.228 6.740 -0.907 499 HD12 ILE 60 1HD1 ILE 60 -10.143 6.295 0.798 500 HD13 ILE 60 2HD1 ILE 60 -11.397 5.605 -0.233 501 H LEU 61 H LEU 61 -13.194 3.733 -3.471 502 HA LEU 61 HA LEU 61 -12.513 1.529 -5.187 503 HB2 LEU 61 2HB LEU 61 -14.789 3.507 -5.323 504 HB3 LEU 61 1HB LEU 61 -14.634 2.081 -6.331 505 HG LEU 61 HG LEU 61 -14.936 2.060 -3.326 506 HD11 LEU 61 1HD1 LEU 61 -16.971 2.781 -4.457 507 HD12 LEU 61 2HD1 LEU 61 -17.161 1.169 -3.767 508 HD13 LEU 61 3HD1 LEU 61 -16.901 1.361 -5.501 509 HD21 LEU 61 3HD2 LEU 61 -15.265 -0.359 -3.633 510 HD22 LEU 61 1HD2 LEU 61 -13.647 0.165 -4.101 511 HD23 LEU 61 2HD2 LEU 61 -14.854 -0.181 -5.339 512 H ARG 62 H ARG 62 -11.988 4.912 -5.224 513 HA ARG 62 HA ARG 62 -11.647 4.990 -8.098 514 HB2 ARG 62 2HB ARG 62 -11.706 7.038 -5.950 515 HB3 ARG 62 1HB ARG 62 -10.780 7.410 -7.399 516 HG2 ARG 62 2HG ARG 62 -13.680 6.600 -7.341 517 HG3 ARG 62 1HG ARG 62 -13.071 8.245 -7.545 518 HD2 ARG 62 2HD ARG 62 -12.025 7.678 -9.617 519 HD3 ARG 62 1HD ARG 62 -12.357 5.965 -9.382 520 HE ARG 62 HE ARG 62 -14.496 7.964 -9.792 521 HH11 ARG 62 1HH1 ARG 62 -12.980 4.871 -10.454 522 HH12 ARG 62 2HH1 ARG 62 -14.222 4.341 -11.550 523 HH21 ARG 62 1HH2 ARG 62 -16.129 7.285 -11.268 524 HH22 ARG 62 2HH2 ARG 62 -16.017 5.712 -12.004 525 H GLU 63 H GLU 63 -9.980 3.907 -8.751 526 HA GLU 63 HA GLU 63 -7.443 3.919 -7.337 527 HB2 GLU 63 2HB GLU 63 -8.171 2.614 -9.967 528 HB3 GLU 63 1HB GLU 63 -6.814 2.210 -8.923 529 HG2 GLU 63 2HG GLU 63 -8.172 1.195 -7.334 530 HG3 GLU 63 1HG GLU 63 -9.627 1.993 -7.928 531 H ASP 64 H ASP 64 -8.869 6.086 -9.110 532 HA ASP 64 HA ASP 64 -6.853 6.667 -11.110 533 HB2 ASP 64 2HB ASP 64 -9.279 6.921 -11.590 534 HB3 ASP 64 1HB ASP 64 -9.379 8.157 -10.343 535 H LEU 65 H LEU 65 -7.083 7.131 -7.887 536 HA LEU 65 HA LEU 65 -6.093 9.879 -7.852 537 HB2 LEU 65 2HB LEU 65 -6.810 8.007 -5.598 538 HB3 LEU 65 1HB LEU 65 -6.288 9.668 -5.398 539 HG LEU 65 HG LEU 65 -8.816 8.779 -6.789 540 HD11 LEU 65 1HD1 LEU 65 -9.949 9.806 -4.871 541 HD12 LEU 65 2HD1 LEU 65 -8.385 10.093 -4.111 542 HD13 LEU 65 3HD1 LEU 65 -8.940 8.443 -4.389 543 HD21 LEU 65 3HD2 LEU 65 -7.817 11.550 -6.139 544 HD22 LEU 65 1HD2 LEU 65 -9.375 11.150 -6.861 545 HD23 LEU 65 2HD2 LEU 65 -7.884 10.830 -7.747 546 H THR 66 H THR 66 -3.991 10.134 -8.125 547 HA THR 66 HA THR 66 -2.026 8.179 -7.499 548 HB THR 66 HB THR 66 -1.488 9.734 -9.227 549 HG1 THR 66 HG1 THR 66 0.341 9.245 -8.007 550 HG21 THR 66 3HG2 THR 66 -1.922 11.930 -7.206 551 HG22 THR 66 1HG2 THR 66 -2.949 11.563 -8.593 552 HG23 THR 66 2HG2 THR 66 -1.308 12.155 -8.844 553 H VAL 67 H VAL 67 -0.217 8.596 -5.931 554 HA VAL 67 HA VAL 67 -1.223 8.649 -3.335 555 HB VAL 67 HB VAL 67 1.626 9.149 -4.215 556 HG11 VAL 67 1HG1 VAL 67 0.546 8.294 -1.529 557 HG12 VAL 67 2HG1 VAL 67 1.285 9.850 -1.909 558 HG13 VAL 67 3HG1 VAL 67 2.251 8.377 -1.972 559 HG21 VAL 67 3HG2 VAL 67 0.747 7.045 -5.056 560 HG22 VAL 67 1HG2 VAL 67 0.223 6.597 -3.433 561 HG23 VAL 67 2HG2 VAL 67 1.942 6.756 -3.791 562 H GLU 68 H GLU 68 0.265 11.246 -5.222 563 HA GLU 68 HA GLU 68 0.428 13.088 -3.062 564 HB2 GLU 68 2HB GLU 68 1.766 13.234 -5.169 565 HB3 GLU 68 1HB GLU 68 0.302 13.713 -6.018 566 HG2 GLU 68 2HG GLU 68 0.137 15.723 -4.717 567 HG3 GLU 68 1HG GLU 68 1.486 15.222 -3.699 568 H GLN 69 H GLN 69 -2.165 12.081 -5.098 569 HA GLN 69 HA GLN 69 -3.792 14.415 -4.440 570 HB2 GLN 69 2HB GLN 69 -4.251 12.021 -6.209 571 HB3 GLN 69 1HB GLN 69 -5.546 13.138 -5.804 572 HG2 GLN 69 2HG GLN 69 -2.966 13.921 -7.138 573 HG3 GLN 69 1HG GLN 69 -4.476 13.592 -7.984 574 HE21 GLN 69 1HE2 GLN 69 -6.126 14.818 -5.923 575 HE22 GLN 69 2HE2 GLN 69 -5.904 16.521 -6.074 576 H CYS 70 H CYS 70 -3.723 10.920 -3.889 577 HA CYS 70 HA CYS 70 -6.111 10.888 -2.327 578 HB2 CYS 70 2HB CYS 70 -5.303 8.921 -3.570 579 HB3 CYS 70 1HB CYS 70 -3.889 8.840 -2.526 580 HG CYS 70 HG CYS 70 -6.063 8.736 -0.324 581 H GLN 71 H GLN 71 -2.841 11.642 -1.667 582 HA GLN 71 HA GLN 71 -1.690 12.220 0.194 583 HB2 GLN 71 2HB GLN 71 -4.496 12.604 1.216 584 HB3 GLN 71 1HB GLN 71 -3.084 12.953 2.203 585 HG2 GLN 71 2HG GLN 71 -3.709 14.230 -0.453 586 HG3 GLN 71 1HG GLN 71 -4.011 14.953 1.126 587 HE21 GLN 71 1HE2 GLN 71 -1.640 14.171 -1.258 588 HE22 GLN 71 2HE2 GLN 71 -0.310 14.997 -0.518 589 H ILE 72 H ILE 72 -1.306 9.767 -0.082 590 HA ILE 72 HA ILE 72 -2.341 8.138 2.068 591 HB ILE 72 HB ILE 72 -0.160 7.484 0.074 592 HG12 ILE 72 2HG1 ILE 72 -3.107 6.789 0.023 593 HG13 ILE 72 1HG1 ILE 72 -2.337 8.000 -0.996 594 HG21 ILE 72 1HG2 ILE 72 -1.788 5.718 1.904 595 HG22 ILE 72 2HG2 ILE 72 -0.070 6.083 2.058 596 HG23 ILE 72 3HG2 ILE 72 -0.652 5.146 0.681 597 HD11 ILE 72 3HD1 ILE 72 -2.698 5.936 -2.210 598 HD12 ILE 72 1HD1 ILE 72 -1.752 5.049 -1.014 599 HD13 ILE 72 2HD1 ILE 72 -0.975 6.263 -2.028 600 H VAL 73 H VAL 73 -1.635 8.919 3.977 601 HA VAL 73 HA VAL 73 1.239 9.325 4.358 602 HB VAL 73 HB VAL 73 0.560 10.289 6.576 603 HG11 VAL 73 1HG1 VAL 73 -0.673 11.561 4.131 604 HG12 VAL 73 2HG1 VAL 73 1.008 11.713 4.645 605 HG13 VAL 73 3HG1 VAL 73 -0.283 12.389 5.640 606 HG21 VAL 73 3HG2 VAL 73 -1.792 10.891 6.906 607 HG22 VAL 73 1HG2 VAL 73 -1.582 9.142 6.820 608 HG23 VAL 73 2HG2 VAL 73 -2.222 10.022 5.432 609 HA PRO 74 HA PRO 74 1.918 5.528 6.450 610 HB2 PRO 74 2HB PRO 74 3.380 7.015 8.553 611 HB3 PRO 74 1HB PRO 74 3.948 5.736 7.476 612 HG2 PRO 74 2HG PRO 74 4.702 8.266 7.110 613 HG3 PRO 74 1HG PRO 74 4.355 7.206 5.730 614 HD2 PRO 74 2HD PRO 74 2.656 9.352 6.947 615 HD3 PRO 74 1HD PRO 74 2.917 8.961 5.234 616 H THR 75 H THR 75 0.444 8.149 8.151 617 HA THR 75 HA THR 75 -0.179 6.569 10.499 618 HB THR 75 HB THR 75 -1.497 8.643 11.148 619 HG1 THR 75 HG1 THR 75 -1.825 9.648 9.192 620 HG21 THR 75 3HG2 THR 75 0.525 9.935 11.685 621 HG22 THR 75 1HG2 THR 75 1.450 8.947 10.555 622 HG23 THR 75 2HG2 THR 75 0.750 8.214 11.997 623 H SER 76 H SER 76 -1.399 6.635 7.460 624 HA SER 76 HA SER 76 -4.208 6.705 8.112 625 HB2 SER 76 2HB SER 76 -3.205 7.504 5.910 626 HB3 SER 76 1HB SER 76 -2.984 5.803 5.500 627 HG SER 76 HG SER 76 -5.442 7.085 6.132 628 H ASP 77 H ASP 77 -5.423 5.030 8.684 629 HA ASP 77 HA ASP 77 -4.254 2.431 8.991 630 HB2 ASP 77 2HB ASP 77 -6.001 3.464 10.531 631 HB3 ASP 77 1HB ASP 77 -7.180 3.134 9.267 632 H ILE 78 H ILE 78 -3.952 1.151 7.313 633 HA ILE 78 HA ILE 78 -6.034 1.067 5.228 634 HB ILE 78 HB ILE 78 -3.052 0.750 4.833 635 HG12 ILE 78 2HG1 ILE 78 -4.975 2.906 3.926 636 HG13 ILE 78 1HG1 ILE 78 -3.769 3.075 5.196 637 HG21 ILE 78 1HG2 ILE 78 -4.304 -0.727 3.356 638 HG22 ILE 78 2HG2 ILE 78 -3.602 0.604 2.434 639 HG23 ILE 78 3HG2 ILE 78 -5.319 0.619 2.839 640 HD11 ILE 78 3HD1 ILE 78 -3.017 4.117 3.155 641 HD12 ILE 78 1HD1 ILE 78 -3.225 2.601 2.278 642 HD13 ILE 78 2HD1 ILE 78 -2.001 2.728 3.542 643 H GLN 79 H GLN 79 -7.021 -0.804 5.130 644 HA GLN 79 HA GLN 79 -5.586 -3.227 6.020 645 HB2 GLN 79 2HB GLN 79 -7.432 -2.454 7.537 646 HB3 GLN 79 1HB GLN 79 -8.557 -2.708 6.211 647 HG2 GLN 79 2HG GLN 79 -7.745 -5.107 6.170 648 HG3 GLN 79 1HG GLN 79 -6.960 -4.759 7.711 649 HE21 GLN 79 1HE2 GLN 79 -8.222 -6.158 8.904 650 HE22 GLN 79 2HE2 GLN 79 -9.911 -5.891 9.189 651 H LEU 80 H LEU 80 -5.720 -5.025 4.737 652 HA LEU 80 HA LEU 80 -7.059 -4.671 2.161 653 HB2 LEU 80 2HB LEU 80 -4.984 -6.639 3.099 654 HB3 LEU 80 1HB LEU 80 -5.799 -6.782 1.555 655 HG LEU 80 HG LEU 80 -3.994 -4.532 2.431 656 HD11 LEU 80 1HD1 LEU 80 -2.582 -5.332 0.580 657 HD12 LEU 80 2HD1 LEU 80 -3.690 -6.684 0.343 658 HD13 LEU 80 3HD1 LEU 80 -2.783 -6.539 1.849 659 HD21 LEU 80 3HD2 LEU 80 -4.305 -3.644 0.168 660 HD22 LEU 80 1HD2 LEU 80 -5.818 -3.666 1.074 661 HD23 LEU 80 2HD2 LEU 80 -5.508 -4.893 -0.153 662 H GLU 81 H GLU 81 -9.093 -5.253 2.221 663 HA GLU 81 HA GLU 81 -9.889 -7.660 3.674 664 HB2 GLU 81 2HB GLU 81 -11.208 -5.580 3.974 665 HB3 GLU 81 1HB GLU 81 -11.585 -5.588 2.260 666 HG2 GLU 81 2HG GLU 81 -12.849 -7.611 2.491 667 HG3 GLU 81 1HG GLU 81 -12.357 -7.772 4.177 668 H VAL 82 H VAL 82 -10.123 -9.535 2.626 669 HA VAL 82 HA VAL 82 -9.586 -9.673 -0.170 670 HB VAL 82 HB VAL 82 -8.775 -11.448 1.236 671 HG11 VAL 82 1HG1 VAL 82 -11.655 -12.071 1.877 672 HG12 VAL 82 2HG1 VAL 82 -10.458 -11.403 2.988 673 HG13 VAL 82 3HG1 VAL 82 -10.261 -13.039 2.358 674 HG21 VAL 82 3HG2 VAL 82 -9.253 -12.082 -1.031 675 HG22 VAL 82 1HG2 VAL 82 -10.941 -12.399 -0.630 676 HG23 VAL 82 2HG2 VAL 82 -9.669 -13.422 0.035 677 H SER 83 H SER 83 -10.981 -9.342 -1.733 678 HA SER 83 HA SER 83 -13.844 -9.640 -1.199 679 HB2 SER 83 2HB SER 83 -12.950 -7.501 -2.190 680 HB3 SER 83 1HB SER 83 -12.503 -8.419 -3.626 681 HG SER 83 HG SER 83 -14.851 -9.061 -3.602 682 H SER 84 H SER 84 -14.492 -11.675 -1.537 683 HA SER 84 HA SER 84 -14.102 -12.769 -4.207 684 HB2 SER 84 2HB SER 84 -13.585 -14.397 -1.701 685 HB3 SER 84 1HB SER 84 -13.496 -14.981 -3.364 686 HG SER 84 HG SER 84 -11.942 -12.880 -3.265 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.266 17.251 -2.970 2 H2 MET 1 2H MET 1 1.193 16.259 -4.345 3 H3 MET 1 3H MET 1 -0.240 16.746 -3.572 4 HA MET 1 HA MET 1 0.171 17.969 -5.624 5 HB2 MET 1 2HB MET 1 -1.028 18.953 -3.614 6 HB3 MET 1 1HB MET 1 0.484 19.742 -3.191 7 HG2 MET 1 2HG MET 1 -0.871 20.138 -5.843 8 HG3 MET 1 1HG MET 1 -1.228 21.124 -4.432 9 HE1 MET 1 3HE MET 1 1.619 21.415 -3.052 10 HE2 MET 1 1HE MET 1 0.499 22.756 -3.284 11 HE3 MET 1 2HE MET 1 2.184 22.920 -3.782 12 H GLY 2 H GLY 2 1.797 18.339 -6.975 13 HA2 GLY 2 2HA GLY 2 3.929 20.090 -6.334 14 HA3 GLY 2 1HA GLY 2 4.490 18.421 -6.313 15 H HIS 3 H HIS 3 5.502 20.270 -8.085 16 HA HIS 3 HA HIS 3 4.391 19.302 -10.644 17 HB2 HIS 3 2HB HIS 3 5.828 21.911 -10.101 18 HB3 HIS 3 1HB HIS 3 5.299 21.353 -11.685 19 HD1 HIS 3 HD1 HIS 3 2.703 21.303 -12.110 20 HD2 HIS 3 HD2 HIS 3 3.875 23.099 -8.546 21 HE1 HIS 3 HE1 HIS 3 0.691 22.578 -11.297 22 HE2 HIS 3 HE2 HIS 3 1.366 23.497 -9.046 23 H HIS 4 H HIS 4 7.223 19.958 -8.714 24 HA HIS 4 HA HIS 4 8.782 18.231 -10.528 25 HB2 HIS 4 2HB HIS 4 9.707 20.697 -9.036 26 HB3 HIS 4 1HB HIS 4 10.805 19.543 -9.783 27 HD1 HIS 4 HD1 HIS 4 9.109 22.630 -10.452 28 HD2 HIS 4 HD2 HIS 4 10.235 19.324 -12.714 29 HE1 HIS 4 HE1 HIS 4 9.088 23.403 -12.848 30 HE2 HIS 4 HE2 HIS 4 9.649 21.355 -14.207 31 H HIS 5 H HIS 5 7.169 18.000 -7.941 32 HA HIS 5 HA HIS 5 8.988 17.561 -5.819 33 HB2 HIS 5 2HB HIS 5 6.558 18.074 -5.532 34 HB3 HIS 5 1HB HIS 5 6.187 16.454 -6.111 35 HD1 HIS 5 HD1 HIS 5 5.417 15.180 -4.112 36 HD2 HIS 5 HD2 HIS 5 8.757 17.541 -3.304 37 HE1 HIS 5 HE1 HIS 5 6.071 14.661 -1.738 38 HE2 HIS 5 HE2 HIS 5 7.905 16.310 -1.202 39 H HIS 6 H HIS 6 10.593 16.168 -6.392 40 HA HIS 6 HA HIS 6 9.781 13.360 -6.507 41 HB2 HIS 6 2HB HIS 6 11.233 12.810 -8.320 42 HB3 HIS 6 1HB HIS 6 10.249 14.168 -8.842 43 HD1 HIS 6 HD1 HIS 6 11.512 16.554 -8.854 44 HD2 HIS 6 HD2 HIS 6 13.923 13.179 -8.515 45 HE1 HIS 6 HE1 HIS 6 13.827 17.302 -9.496 46 HE2 HIS 6 HE2 HIS 6 15.212 15.196 -9.491 47 H HIS 7 H HIS 7 11.522 15.733 -5.074 48 HA HIS 7 HA HIS 7 13.825 14.182 -4.303 49 HB2 HIS 7 2HB HIS 7 14.042 16.595 -4.386 50 HB3 HIS 7 1HB HIS 7 12.696 16.797 -3.272 51 HD1 HIS 7 HD1 HIS 7 16.269 15.557 -3.348 52 HD2 HIS 7 HD2 HIS 7 13.373 16.747 -0.608 53 HE1 HIS 7 HE1 HIS 7 17.448 15.712 -1.132 54 HE2 HIS 7 HE2 HIS 7 15.621 16.176 0.537 55 H HIS 8 H HIS 8 13.770 12.608 -2.865 56 HA HIS 8 HA HIS 8 13.303 11.401 -0.987 57 HB2 HIS 8 2HB HIS 8 13.448 13.559 0.207 58 HB3 HIS 8 1HB HIS 8 11.755 13.865 -0.136 59 HD1 HIS 8 HD1 HIS 8 11.190 14.062 2.334 60 HD2 HIS 8 HD2 HIS 8 12.789 10.368 1.294 61 HE1 HIS 8 HE1 HIS 8 10.792 12.571 4.321 62 HE2 HIS 8 HE2 HIS 8 11.816 10.353 3.697 63 H SER 9 H SER 9 11.484 11.788 -3.437 64 HA SER 9 HA SER 9 8.884 11.082 -2.425 65 HB2 SER 9 2HB SER 9 9.908 11.235 -5.267 66 HB3 SER 9 1HB SER 9 8.229 10.960 -4.810 67 HG SER 9 HG SER 9 8.336 13.107 -5.093 68 H HIS 10 H HIS 10 9.723 9.201 -1.274 69 HA HIS 10 HA HIS 10 8.628 6.955 -2.572 70 HB2 HIS 10 2HB HIS 10 10.431 5.424 -2.715 71 HB3 HIS 10 1HB HIS 10 11.002 6.888 -3.496 72 HD1 HIS 10 HD1 HIS 10 12.242 4.335 -1.488 73 HD2 HIS 10 HD2 HIS 10 12.521 8.487 -1.293 74 HE1 HIS 10 HE1 HIS 10 14.268 4.818 -0.081 75 HE2 HIS 10 HE2 HIS 10 14.313 7.324 0.172 76 H MET 11 H MET 11 7.534 5.953 -1.032 77 HA MET 11 HA MET 11 8.440 6.213 1.737 78 HB2 MET 11 2HB MET 11 7.130 8.224 1.203 79 HB3 MET 11 1HB MET 11 5.783 7.217 0.702 80 HG2 MET 11 2HG MET 11 6.868 6.998 3.467 81 HG3 MET 11 1HG MET 11 5.789 8.322 3.040 82 HE1 MET 11 3HE MET 11 3.918 6.894 0.872 83 HE2 MET 11 1HE MET 11 3.311 7.970 2.132 84 HE3 MET 11 2HE MET 11 2.576 6.383 1.896 85 H LYS 12 H LYS 12 7.750 4.596 3.075 86 HA LYS 12 HA LYS 12 6.238 2.428 1.792 87 HB2 LYS 12 2HB LYS 12 7.741 2.246 4.395 88 HB3 LYS 12 1HB LYS 12 7.230 0.934 3.347 89 HG2 LYS 12 2HG LYS 12 8.858 1.694 1.659 90 HG3 LYS 12 1HG LYS 12 9.404 2.937 2.789 91 HD2 LYS 12 2HD LYS 12 9.531 -0.051 3.179 92 HD3 LYS 12 1HD LYS 12 10.891 1.043 2.919 93 HE2 LYS 12 2HE LYS 12 10.452 2.147 5.025 94 HE3 LYS 12 1HE LYS 12 9.019 1.152 5.278 95 HZ1 LYS 12 3HZ LYS 12 10.806 0.260 6.551 96 HZ2 LYS 12 1HZ LYS 12 11.837 0.228 5.207 97 HZ3 LYS 12 2HZ LYS 12 10.501 -0.810 5.277 98 H PHE 13 H PHE 13 4.120 2.463 2.257 99 HA PHE 13 HA PHE 13 3.289 3.470 4.871 100 HB2 PHE 13 2HB PHE 13 1.009 3.498 3.970 101 HB3 PHE 13 1HB PHE 13 2.105 4.415 2.948 102 HD1 PHE 13 HD1 PHE 13 3.003 3.242 0.844 103 HD2 PHE 13 HD2 PHE 13 -0.347 1.847 3.071 104 HE1 PHE 13 HE1 PHE 13 2.227 1.976 -1.117 105 HE2 PHE 13 HE2 PHE 13 -1.123 0.575 1.114 106 HZ PHE 13 HZ PHE 13 0.168 0.639 -0.982 107 H LEU 14 H LEU 14 1.812 2.243 6.182 108 HA LEU 14 HA LEU 14 2.694 -0.485 6.317 109 HB2 LEU 14 2HB LEU 14 2.403 0.953 8.320 110 HB3 LEU 14 1HB LEU 14 0.674 0.951 8.033 111 HG LEU 14 HG LEU 14 0.667 -1.523 8.339 112 HD11 LEU 14 1HD1 LEU 14 3.538 -1.090 9.149 113 HD12 LEU 14 2HD1 LEU 14 2.979 -1.962 7.722 114 HD13 LEU 14 3HD1 LEU 14 2.628 -2.588 9.333 115 HD21 LEU 14 3HD2 LEU 14 0.090 -0.045 10.187 116 HD22 LEU 14 1HD2 LEU 14 1.792 0.089 10.629 117 HD23 LEU 14 2HD2 LEU 14 0.963 -1.461 10.773 118 H VAL 15 H VAL 15 1.823 -1.937 5.028 119 HA VAL 15 HA VAL 15 -1.027 -1.809 4.385 120 HB VAL 15 HB VAL 15 1.092 -3.688 3.319 121 HG11 VAL 15 1HG1 VAL 15 -1.162 -4.576 3.130 122 HG12 VAL 15 2HG1 VAL 15 -0.524 -4.147 1.543 123 HG13 VAL 15 3HG1 VAL 15 -1.694 -3.094 2.338 124 HG21 VAL 15 3HG2 VAL 15 1.627 -1.401 2.711 125 HG22 VAL 15 1HG2 VAL 15 -0.014 -1.157 2.111 126 HG23 VAL 15 2HG2 VAL 15 1.062 -2.293 1.297 127 H GLU 16 H GLU 16 -2.245 -2.713 5.976 128 HA GLU 16 HA GLU 16 -1.283 -5.189 7.205 129 HB2 GLU 16 2HB GLU 16 -2.005 -3.411 8.751 130 HB3 GLU 16 1HB GLU 16 -3.602 -3.416 8.010 131 HG2 GLU 16 2HG GLU 16 -4.085 -5.576 8.840 132 HG3 GLU 16 1HG GLU 16 -2.409 -5.851 9.306 133 H ASN 17 H ASN 17 -2.316 -7.088 6.999 134 HA ASN 17 HA ASN 17 -4.830 -7.184 5.492 135 HB2 ASN 17 2HB ASN 17 -2.843 -7.625 3.980 136 HB3 ASN 17 1HB ASN 17 -2.502 -9.047 4.960 137 HD21 ASN 17 1HD2 ASN 17 -3.047 -9.041 2.195 138 HD22 ASN 17 2HD2 ASN 17 -4.510 -9.927 1.936 139 H LEU 18 H LEU 18 -6.270 -8.493 6.446 140 HA LEU 18 HA LEU 18 -5.464 -9.904 8.843 141 HB2 LEU 18 2HB LEU 18 -7.997 -8.953 7.671 142 HB3 LEU 18 1HB LEU 18 -8.111 -10.422 8.621 143 HG LEU 18 HG LEU 18 -7.303 -9.318 10.583 144 HD11 LEU 18 1HD1 LEU 18 -6.865 -6.883 8.862 145 HD12 LEU 18 2HD1 LEU 18 -5.602 -7.909 9.544 146 HD13 LEU 18 3HD1 LEU 18 -6.649 -6.974 10.611 147 HD21 LEU 18 3HD2 LEU 18 -9.315 -7.597 9.143 148 HD22 LEU 18 1HD2 LEU 18 -9.006 -7.569 10.879 149 HD23 LEU 18 2HD2 LEU 18 -9.659 -9.022 10.123 150 H ASN 19 H ASN 19 -5.755 -10.703 5.606 151 HA ASN 19 HA ASN 19 -6.076 -13.558 6.297 152 HB2 ASN 19 2HB ASN 19 -7.954 -12.545 4.930 153 HB3 ASN 19 1HB ASN 19 -6.785 -12.299 3.638 154 HD21 ASN 19 1HD2 ASN 19 -8.438 -14.701 5.581 155 HD22 ASN 19 2HD2 ASN 19 -8.255 -16.010 4.459 156 H GLY 20 H GLY 20 -3.813 -11.449 5.772 157 HA2 GLY 20 2HA GLY 20 -2.135 -13.308 4.240 158 HA3 GLY 20 1HA GLY 20 -2.229 -11.633 3.717 159 H SER 21 H SER 21 -0.792 -10.260 4.526 160 HA SER 21 HA SER 21 0.407 -10.700 7.134 161 HB2 SER 21 2HB SER 21 1.754 -12.084 5.548 162 HB3 SER 21 1HB SER 21 2.097 -10.632 4.613 163 HG SER 21 HG SER 21 3.791 -11.074 6.028 164 H SER 22 H SER 22 1.676 -8.817 7.824 165 HA SER 22 HA SER 22 0.747 -6.374 6.500 166 HB2 SER 22 2HB SER 22 2.149 -6.583 9.170 167 HB3 SER 22 1HB SER 22 1.201 -5.232 8.552 168 HG SER 22 HG SER 22 -0.052 -6.408 9.997 169 H PHE 23 H PHE 23 2.122 -5.044 5.430 170 HA PHE 23 HA PHE 23 5.000 -5.502 5.691 171 HB2 PHE 23 2HB PHE 23 4.254 -7.048 3.952 172 HB3 PHE 23 1HB PHE 23 3.475 -5.728 3.089 173 HD1 PHE 23 HD1 PHE 23 6.810 -6.804 4.344 174 HD2 PHE 23 HD2 PHE 23 4.621 -4.643 1.403 175 HE1 PHE 23 HE1 PHE 23 8.886 -6.419 3.082 176 HE2 PHE 23 HE2 PHE 23 6.696 -4.254 0.137 177 HZ PHE 23 HZ PHE 23 8.829 -5.142 0.976 178 H GLU 24 H GLU 24 6.134 -3.682 5.586 179 HA GLU 24 HA GLU 24 4.971 -1.150 4.958 180 HB2 GLU 24 2HB GLU 24 7.882 -1.946 5.196 181 HB3 GLU 24 1HB GLU 24 7.284 -0.296 5.138 182 HG2 GLU 24 2HG GLU 24 6.193 -0.554 7.251 183 HG3 GLU 24 1HG GLU 24 6.573 -2.275 7.282 184 H LEU 25 H LEU 25 4.226 -1.022 2.863 185 HA LEU 25 HA LEU 25 5.912 -2.070 0.727 186 HB2 LEU 25 2HB LEU 25 3.307 -2.327 1.028 187 HB3 LEU 25 1HB LEU 25 3.273 -0.763 0.237 188 HG LEU 25 HG LEU 25 4.676 -3.138 -0.971 189 HD11 LEU 25 1HD1 LEU 25 1.823 -2.251 -1.354 190 HD12 LEU 25 2HD1 LEU 25 2.364 -3.759 -0.615 191 HD13 LEU 25 3HD1 LEU 25 2.658 -3.461 -2.328 192 HD21 LEU 25 3HD2 LEU 25 4.417 -1.900 -3.042 193 HD22 LEU 25 1HD2 LEU 25 5.267 -0.920 -1.847 194 HD23 LEU 25 2HD2 LEU 25 3.565 -0.612 -2.189 195 H GLU 26 H GLU 26 7.322 -0.823 -0.225 196 HA GLU 26 HA GLU 26 7.261 2.038 0.129 197 HB2 GLU 26 2HB GLU 26 9.342 0.604 0.235 198 HB3 GLU 26 1HB GLU 26 9.201 0.406 -1.505 199 HG2 GLU 26 2HG GLU 26 9.438 2.809 -1.812 200 HG3 GLU 26 1HG GLU 26 9.553 3.027 -0.066 201 H VAL 27 H VAL 27 6.294 3.389 -1.196 202 HA VAL 27 HA VAL 27 6.144 2.718 -4.060 203 HB VAL 27 HB VAL 27 3.972 3.884 -4.186 204 HG11 VAL 27 1HG1 VAL 27 4.010 1.466 -4.026 205 HG12 VAL 27 2HG1 VAL 27 2.618 2.116 -3.163 206 HG13 VAL 27 3HG1 VAL 27 4.032 1.563 -2.267 207 HG21 VAL 27 3HG2 VAL 27 4.188 5.308 -2.211 208 HG22 VAL 27 1HG2 VAL 27 4.097 3.887 -1.169 209 HG23 VAL 27 2HG2 VAL 27 2.705 4.355 -2.146 210 H ASP 28 H ASP 28 5.597 4.755 -5.351 211 HA ASP 28 HA ASP 28 7.234 6.987 -4.347 212 HB2 ASP 28 2HB ASP 28 7.666 5.850 -6.624 213 HB3 ASP 28 1HB ASP 28 6.178 6.619 -7.158 214 H TYR 29 H TYR 29 6.364 9.139 -4.500 215 HA TYR 29 HA TYR 29 3.573 9.325 -3.922 216 HB2 TYR 29 2HB TYR 29 5.735 11.383 -4.374 217 HB3 TYR 29 1HB TYR 29 4.060 11.837 -4.077 218 HD1 TYR 29 HD2 TYR 29 6.964 10.044 -2.585 219 HD2 TYR 29 HD1 TYR 29 3.191 11.891 -1.888 220 HE1 TYR 29 HE2 TYR 29 7.344 9.899 -0.167 221 HE2 TYR 29 HE1 TYR 29 3.565 11.746 0.539 222 HH TYR 29 HH TYR 29 6.592 11.043 1.892 223 H ARG 30 H ARG 30 5.444 9.274 -6.736 224 HA ARG 30 HA ARG 30 3.629 10.598 -8.519 225 HB2 ARG 30 2HB ARG 30 6.004 10.400 -9.030 226 HB3 ARG 30 1HB ARG 30 5.893 8.649 -8.990 227 HG2 ARG 30 2HG ARG 30 4.276 8.827 -10.918 228 HG3 ARG 30 1HG ARG 30 4.751 10.526 -11.034 229 HD2 ARG 30 2HD ARG 30 7.097 9.825 -11.284 230 HD3 ARG 30 1HD ARG 30 6.588 8.141 -11.218 231 HE ARG 30 HE ARG 30 5.914 10.033 -13.387 232 HH11 ARG 30 1HH1 ARG 30 6.292 6.748 -12.189 233 HH12 ARG 30 2HH1 ARG 30 6.263 6.034 -13.780 234 HH21 ARG 30 1HH2 ARG 30 5.874 9.100 -15.461 235 HH22 ARG 30 2HH2 ARG 30 6.011 7.372 -15.641 236 H ASP 31 H ASP 31 3.762 7.487 -7.058 237 HA ASP 31 HA ASP 31 2.592 5.967 -9.158 238 HB2 ASP 31 2HB ASP 31 2.891 5.436 -6.208 239 HB3 ASP 31 1HB ASP 31 2.080 4.308 -7.285 240 H THR 32 H THR 32 0.551 5.450 -9.599 241 HA THR 32 HA THR 32 -1.568 6.929 -8.286 242 HB THR 32 HB THR 32 -2.981 5.749 -10.086 243 HG1 THR 32 HG1 THR 32 -0.752 5.448 -11.674 244 HG21 THR 32 3HG2 THR 32 -2.326 8.099 -10.234 245 HG22 THR 32 1HG2 THR 32 -2.273 7.331 -11.820 246 HG23 THR 32 2HG2 THR 32 -0.776 7.632 -10.935 247 H LEU 33 H LEU 33 -3.608 5.759 -7.777 248 HA LEU 33 HA LEU 33 -3.084 3.599 -6.004 249 HB2 LEU 33 2HB LEU 33 -5.700 4.749 -6.975 250 HB3 LEU 33 1HB LEU 33 -5.537 3.597 -5.662 251 HG LEU 33 HG LEU 33 -4.353 6.378 -5.678 252 HD11 LEU 33 1HD1 LEU 33 -6.047 6.882 -3.988 253 HD12 LEU 33 2HD1 LEU 33 -6.752 5.282 -4.221 254 HD13 LEU 33 3HD1 LEU 33 -6.774 6.456 -5.537 255 HD21 LEU 33 3HD2 LEU 33 -4.495 4.296 -3.502 256 HD22 LEU 33 1HD2 LEU 33 -3.884 5.940 -3.321 257 HD23 LEU 33 2HD2 LEU 33 -3.044 4.797 -4.369 258 H LEU 34 H LEU 34 -3.406 3.649 -9.293 259 HA LEU 34 HA LEU 34 -4.542 1.007 -9.578 260 HB2 LEU 34 2HB LEU 34 -4.879 2.592 -11.365 261 HB3 LEU 34 1HB LEU 34 -3.154 2.867 -11.509 262 HG LEU 34 HG LEU 34 -2.903 0.486 -12.242 263 HD11 LEU 34 1HD1 LEU 34 -4.909 -0.694 -13.011 264 HD12 LEU 34 2HD1 LEU 34 -5.915 0.582 -12.321 265 HD13 LEU 34 3HD1 LEU 34 -4.924 -0.429 -11.268 266 HD21 LEU 34 3HD2 LEU 34 -2.968 2.332 -13.838 267 HD22 LEU 34 1HD2 LEU 34 -4.725 2.209 -13.916 268 HD23 LEU 34 2HD2 LEU 34 -3.720 0.883 -14.503 269 H VAL 35 H VAL 35 -1.366 2.468 -10.237 270 HA VAL 35 HA VAL 35 -0.037 0.060 -10.788 271 HB VAL 35 HB VAL 35 1.164 2.663 -9.824 272 HG11 VAL 35 1HG1 VAL 35 2.729 0.808 -9.638 273 HG12 VAL 35 2HG1 VAL 35 3.202 1.893 -10.946 274 HG13 VAL 35 3HG1 VAL 35 2.415 0.359 -11.316 275 HG21 VAL 35 3HG2 VAL 35 -0.187 3.007 -11.806 276 HG22 VAL 35 1HG2 VAL 35 0.622 1.664 -12.617 277 HG23 VAL 35 2HG2 VAL 35 1.525 3.125 -12.213 278 H VAL 36 H VAL 36 -0.444 1.861 -7.771 279 HA VAL 36 HA VAL 36 1.461 0.494 -6.244 280 HB VAL 36 HB VAL 36 0.412 2.560 -5.457 281 HG11 VAL 36 1HG1 VAL 36 -1.823 2.581 -4.516 282 HG12 VAL 36 2HG1 VAL 36 -2.052 0.895 -4.981 283 HG13 VAL 36 3HG1 VAL 36 -1.869 2.135 -6.223 284 HG21 VAL 36 3HG2 VAL 36 -0.004 0.221 -3.603 285 HG22 VAL 36 1HG2 VAL 36 0.083 1.913 -3.110 286 HG23 VAL 36 2HG2 VAL 36 1.491 1.130 -3.830 287 H LYS 37 H LYS 37 -1.881 -0.351 -7.021 288 HA LYS 37 HA LYS 37 -2.104 -2.416 -5.089 289 HB2 LYS 37 2HB LYS 37 -3.661 -1.862 -7.608 290 HB3 LYS 37 1HB LYS 37 -4.037 -3.194 -6.523 291 HG2 LYS 37 2HG LYS 37 -4.111 -1.324 -4.707 292 HG3 LYS 37 1HG LYS 37 -4.341 -0.259 -6.095 293 HD2 LYS 37 2HD LYS 37 -6.037 -2.658 -5.407 294 HD3 LYS 37 1HD LYS 37 -6.479 -0.974 -5.132 295 HE2 LYS 37 2HE LYS 37 -5.895 -2.187 -7.828 296 HE3 LYS 37 1HE LYS 37 -7.508 -1.961 -7.157 297 HZ1 LYS 37 3HZ LYS 37 -7.165 0.398 -7.129 298 HZ2 LYS 37 1HZ LYS 37 -6.857 -0.188 -8.690 299 HZ3 LYS 37 2HZ LYS 37 -5.568 0.229 -7.663 300 H GLN 38 H GLN 38 -0.859 -2.296 -8.343 301 HA GLN 38 HA GLN 38 -0.757 -5.080 -8.819 302 HB2 GLN 38 2HB GLN 38 1.097 -2.930 -9.870 303 HB3 GLN 38 1HB GLN 38 0.890 -4.542 -10.544 304 HG2 GLN 38 2HG GLN 38 -1.422 -4.026 -11.100 305 HG3 GLN 38 1HG GLN 38 -1.238 -2.416 -10.408 306 HE21 GLN 38 1HE2 GLN 38 -1.951 -3.202 -13.105 307 HE22 GLN 38 2HE2 GLN 38 -0.759 -2.495 -14.151 308 H LYS 39 H LYS 39 1.401 -2.810 -7.230 309 HA LYS 39 HA LYS 39 3.468 -4.752 -6.787 310 HB2 LYS 39 2HB LYS 39 3.050 -2.011 -5.560 311 HB3 LYS 39 1HB LYS 39 4.506 -2.991 -5.393 312 HG2 LYS 39 2HG LYS 39 4.738 -2.942 -7.876 313 HG3 LYS 39 1HG LYS 39 3.396 -1.803 -7.929 314 HD2 LYS 39 2HD LYS 39 5.913 -1.315 -6.352 315 HD3 LYS 39 1HD LYS 39 5.711 -0.805 -8.028 316 HE2 LYS 39 2HE LYS 39 3.627 0.417 -7.249 317 HE3 LYS 39 1HE LYS 39 4.189 0.113 -5.605 318 HZ1 LYS 39 3HZ LYS 39 5.693 1.574 -7.708 319 HZ2 LYS 39 1HZ LYS 39 6.251 1.278 -6.135 320 HZ3 LYS 39 2HZ LYS 39 4.908 2.286 -6.393 321 H ILE 40 H ILE 40 0.693 -3.532 -5.036 322 HA ILE 40 HA ILE 40 1.168 -4.798 -2.560 323 HB ILE 40 HB ILE 40 -1.464 -4.183 -3.924 324 HG12 ILE 40 2HG1 ILE 40 0.057 -2.688 -1.776 325 HG13 ILE 40 1HG1 ILE 40 -0.077 -2.200 -3.461 326 HG21 ILE 40 1HG2 ILE 40 -0.904 -4.961 -1.066 327 HG22 ILE 40 2HG2 ILE 40 -1.792 -5.905 -2.262 328 HG23 ILE 40 3HG2 ILE 40 -2.455 -4.381 -1.672 329 HD11 ILE 40 3HD1 ILE 40 -1.581 -0.935 -2.021 330 HD12 ILE 40 1HD1 ILE 40 -2.368 -2.434 -1.526 331 HD13 ILE 40 2HD1 ILE 40 -2.467 -1.898 -3.204 332 H GLU 41 H GLU 41 -0.458 -5.857 -5.505 333 HA GLU 41 HA GLU 41 -1.437 -8.319 -4.689 334 HB2 GLU 41 2HB GLU 41 -2.034 -7.305 -6.815 335 HB3 GLU 41 1HB GLU 41 -0.381 -7.454 -7.389 336 HG2 GLU 41 2HG GLU 41 -0.602 -9.902 -7.305 337 HG3 GLU 41 1HG GLU 41 -2.283 -9.714 -6.800 338 H ARG 42 H ARG 42 1.776 -7.430 -5.789 339 HA ARG 42 HA ARG 42 2.773 -10.042 -6.147 340 HB2 ARG 42 2HB ARG 42 3.767 -7.931 -7.073 341 HB3 ARG 42 1HB ARG 42 4.350 -7.555 -5.458 342 HG2 ARG 42 2HG ARG 42 5.676 -9.615 -5.469 343 HG3 ARG 42 1HG ARG 42 5.119 -9.950 -7.111 344 HD2 ARG 42 2HD ARG 42 6.076 -7.741 -7.786 345 HD3 ARG 42 1HD ARG 42 6.786 -7.624 -6.177 346 HE ARG 42 HE ARG 42 7.412 -10.007 -7.739 347 HH11 ARG 42 1HH1 ARG 42 8.418 -6.868 -6.557 348 HH12 ARG 42 2HH1 ARG 42 10.098 -7.131 -6.915 349 HH21 ARG 42 1HH2 ARG 42 9.629 -10.340 -8.231 350 HH22 ARG 42 2HH2 ARG 42 10.780 -9.086 -7.859 351 H SER 43 H SER 43 3.164 -7.755 -3.426 352 HA SER 43 HA SER 43 4.726 -9.640 -1.931 353 HB2 SER 43 2HB SER 43 5.036 -7.160 -1.802 354 HB3 SER 43 1HB SER 43 3.494 -7.055 -0.954 355 HG SER 43 HG SER 43 4.383 -8.345 0.696 356 H GLN 44 H GLN 44 1.344 -8.655 -1.956 357 HA GLN 44 HA GLN 44 0.752 -10.104 0.483 358 HB2 GLN 44 2HB GLN 44 -0.980 -8.669 -1.528 359 HB3 GLN 44 1HB GLN 44 -1.646 -9.555 -0.164 360 HG2 GLN 44 2HG GLN 44 0.289 -7.261 0.060 361 HG3 GLN 44 1HG GLN 44 -1.460 -7.130 0.235 362 HE21 GLN 44 1HE2 GLN 44 0.643 -6.533 2.167 363 HE22 GLN 44 2HE2 GLN 44 0.321 -7.528 3.549 364 H HIS 45 H HIS 45 0.838 -10.713 -2.892 365 HA HIS 45 HA HIS 45 0.581 -12.572 -4.141 366 HB2 HIS 45 2HB HIS 45 0.399 -13.932 -1.453 367 HB3 HIS 45 1HB HIS 45 0.414 -14.799 -2.987 368 HD1 HIS 45 HD1 HIS 45 2.643 -14.653 -4.394 369 HD2 HIS 45 HD2 HIS 45 2.856 -13.054 -0.561 370 HE1 HIS 45 HE1 HIS 45 5.097 -14.348 -3.919 371 HE2 HIS 45 HE2 HIS 45 5.176 -13.146 -1.703 372 H ILE 46 H ILE 46 -1.722 -10.974 -2.942 373 HA ILE 46 HA ILE 46 -3.840 -12.839 -3.765 374 HB ILE 46 HB ILE 46 -5.443 -11.320 -2.635 375 HG12 ILE 46 2HG1 ILE 46 -2.982 -10.012 -1.452 376 HG13 ILE 46 1HG1 ILE 46 -3.996 -9.287 -2.694 377 HG21 ILE 46 1HG2 ILE 46 -3.281 -12.430 -0.847 378 HG22 ILE 46 2HG2 ILE 46 -4.635 -13.334 -1.523 379 HG23 ILE 46 3HG2 ILE 46 -4.931 -12.046 -0.354 380 HD11 ILE 46 3HD1 ILE 46 -5.883 -9.277 -1.163 381 HD12 ILE 46 1HD1 ILE 46 -4.507 -8.409 -0.482 382 HD13 ILE 46 2HD1 ILE 46 -4.889 -10.037 0.079 383 HA PRO 47 HA PRO 47 -3.962 -10.611 -7.572 384 HB2 PRO 47 2HB PRO 47 -6.817 -11.462 -7.511 385 HB3 PRO 47 1HB PRO 47 -5.607 -11.670 -8.782 386 HG2 PRO 47 2HG PRO 47 -6.312 -13.725 -7.258 387 HG3 PRO 47 1HG PRO 47 -4.618 -13.488 -7.727 388 HD2 PRO 47 2HD PRO 47 -5.957 -12.933 -5.112 389 HD3 PRO 47 1HD PRO 47 -4.330 -13.567 -5.438 390 H VAL 48 H VAL 48 -4.683 -8.683 -8.389 391 HA VAL 48 HA VAL 48 -5.467 -6.671 -6.662 392 HB VAL 48 HB VAL 48 -5.864 -6.762 -9.658 393 HG11 VAL 48 1HG1 VAL 48 -7.208 -4.993 -8.652 394 HG12 VAL 48 2HG1 VAL 48 -5.858 -4.318 -9.563 395 HG13 VAL 48 3HG1 VAL 48 -5.785 -4.383 -7.802 396 HG21 VAL 48 3HG2 VAL 48 -3.558 -7.135 -9.020 397 HG22 VAL 48 1HG2 VAL 48 -3.592 -5.706 -7.985 398 HG23 VAL 48 2HG2 VAL 48 -3.740 -5.532 -9.734 399 H SER 49 H SER 49 -7.481 -8.850 -8.512 400 HA SER 49 HA SER 49 -9.897 -7.382 -8.219 401 HB2 SER 49 2HB SER 49 -9.489 -10.321 -8.806 402 HB3 SER 49 1HB SER 49 -10.980 -9.412 -9.056 403 HG SER 49 HG SER 49 -8.956 -9.693 -10.730 404 H LYS 50 H LYS 50 -8.088 -9.109 -5.956 405 HA LYS 50 HA LYS 50 -10.464 -9.726 -4.330 406 HB2 LYS 50 2HB LYS 50 -7.599 -10.629 -4.136 407 HB3 LYS 50 1HB LYS 50 -8.740 -10.854 -2.819 408 HG2 LYS 50 2HG LYS 50 -10.192 -12.119 -4.412 409 HG3 LYS 50 1HG LYS 50 -8.870 -12.031 -5.579 410 HD2 LYS 50 2HD LYS 50 -7.407 -13.232 -4.085 411 HD3 LYS 50 1HD LYS 50 -8.631 -13.209 -2.812 412 HE2 LYS 50 2HE LYS 50 -8.878 -14.597 -5.478 413 HE3 LYS 50 1HE LYS 50 -8.528 -15.381 -3.938 414 HZ1 LYS 50 3HZ LYS 50 -10.868 -15.552 -4.573 415 HZ2 LYS 50 1HZ LYS 50 -11.009 -13.862 -4.553 416 HZ3 LYS 50 2HZ LYS 50 -10.675 -14.708 -3.116 417 H GLN 51 H GLN 51 -8.435 -7.220 -4.818 418 HA GLN 51 HA GLN 51 -7.801 -6.657 -2.036 419 HB2 GLN 51 2HB GLN 51 -7.198 -5.002 -4.489 420 HB3 GLN 51 1HB GLN 51 -6.489 -4.818 -2.891 421 HG2 GLN 51 2HG GLN 51 -5.364 -6.933 -3.089 422 HG3 GLN 51 1HG GLN 51 -6.167 -7.253 -4.627 423 HE21 GLN 51 1HE2 GLN 51 -3.343 -7.163 -4.119 424 HE22 GLN 51 2HE2 GLN 51 -2.699 -5.909 -5.121 425 H THR 52 H THR 52 -9.405 -5.828 -0.856 426 HA THR 52 HA THR 52 -11.124 -3.765 -2.018 427 HB THR 52 HB THR 52 -11.329 -4.921 0.765 428 HG1 THR 52 HG1 THR 52 -11.493 -6.647 -0.686 429 HG21 THR 52 3HG2 THR 52 -12.596 -2.878 0.389 430 HG22 THR 52 1HG2 THR 52 -13.695 -4.252 0.526 431 HG23 THR 52 2HG2 THR 52 -13.325 -3.572 -1.060 432 H LEU 53 H LEU 53 -10.292 -1.778 -1.927 433 HA LEU 53 HA LEU 53 -8.228 -1.092 -0.044 434 HB2 LEU 53 2HB LEU 53 -9.685 0.614 -2.061 435 HB3 LEU 53 1HB LEU 53 -8.277 1.116 -1.148 436 HG LEU 53 HG LEU 53 -8.351 -1.097 -3.202 437 HD11 LEU 53 1HD1 LEU 53 -7.086 1.640 -3.278 438 HD12 LEU 53 2HD1 LEU 53 -8.525 1.141 -4.170 439 HD13 LEU 53 3HD1 LEU 53 -6.964 0.403 -4.531 440 HD21 LEU 53 3HD2 LEU 53 -6.756 -1.597 -1.443 441 HD22 LEU 53 1HD2 LEU 53 -6.064 0.019 -1.584 442 HD23 LEU 53 2HD2 LEU 53 -5.910 -1.125 -2.918 443 H ILE 54 H ILE 54 -8.940 -0.926 2.024 444 HA ILE 54 HA ILE 54 -11.071 1.049 2.520 445 HB ILE 54 HB ILE 54 -10.297 -1.275 4.300 446 HG12 ILE 54 2HG1 ILE 54 -12.776 -0.876 2.610 447 HG13 ILE 54 1HG1 ILE 54 -11.455 -1.971 2.218 448 HG21 ILE 54 1HG2 ILE 54 -12.550 0.722 4.523 449 HG22 ILE 54 2HG2 ILE 54 -11.106 0.674 5.534 450 HG23 ILE 54 3HG2 ILE 54 -12.273 -0.647 5.600 451 HD11 ILE 54 3HD1 ILE 54 -13.367 -3.133 3.187 452 HD12 ILE 54 1HD1 ILE 54 -13.218 -2.158 4.649 453 HD13 ILE 54 2HD1 ILE 54 -11.932 -3.280 4.202 454 H VAL 55 H VAL 55 -10.071 2.912 3.053 455 HA VAL 55 HA VAL 55 -7.783 2.759 4.890 456 HB VAL 55 HB VAL 55 -7.220 3.985 2.898 457 HG11 VAL 55 1HG1 VAL 55 -9.600 5.742 3.479 458 HG12 VAL 55 2HG1 VAL 55 -9.429 4.618 2.132 459 HG13 VAL 55 3HG1 VAL 55 -8.388 6.038 2.231 460 HG21 VAL 55 3HG2 VAL 55 -6.270 4.816 4.974 461 HG22 VAL 55 1HG2 VAL 55 -7.659 5.878 5.206 462 HG23 VAL 55 2HG2 VAL 55 -6.561 6.143 3.851 463 H ASP 56 H ASP 56 -8.360 2.853 6.915 464 HA ASP 56 HA ASP 56 -9.257 3.496 8.884 465 HB2 ASP 56 2HB ASP 56 -9.961 5.972 7.316 466 HB3 ASP 56 1HB ASP 56 -10.395 5.778 9.012 467 H GLY 57 H GLY 57 -11.634 4.726 6.542 468 HA2 GLY 57 2HA GLY 57 -13.452 2.571 7.107 469 HA3 GLY 57 1HA GLY 57 -13.957 4.101 7.813 470 H ILE 58 H ILE 58 -12.128 4.107 4.888 471 HA ILE 58 HA ILE 58 -14.570 4.714 3.356 472 HB ILE 58 HB ILE 58 -11.924 6.168 3.131 473 HG12 ILE 58 2HG1 ILE 58 -14.603 7.159 4.141 474 HG13 ILE 58 1HG1 ILE 58 -13.221 6.769 5.160 475 HG21 ILE 58 1HG2 ILE 58 -13.074 7.611 1.530 476 HG22 ILE 58 2HG2 ILE 58 -14.533 6.633 1.686 477 HG23 ILE 58 3HG2 ILE 58 -13.074 5.934 0.982 478 HD11 ILE 58 3HD1 ILE 58 -11.937 8.552 4.068 479 HD12 ILE 58 1HD1 ILE 58 -13.403 9.157 4.842 480 HD13 ILE 58 2HD1 ILE 58 -13.350 8.952 3.091 481 H VAL 59 H VAL 59 -14.780 3.499 1.594 482 HA VAL 59 HA VAL 59 -12.585 1.814 0.738 483 HB VAL 59 HB VAL 59 -14.847 0.863 0.852 484 HG11 VAL 59 1HG1 VAL 59 -16.557 1.485 -0.788 485 HG12 VAL 59 2HG1 VAL 59 -15.519 2.790 -1.362 486 HG13 VAL 59 3HG1 VAL 59 -16.151 2.827 0.283 487 HG21 VAL 59 3HG2 VAL 59 -14.885 -0.215 -1.355 488 HG22 VAL 59 1HG2 VAL 59 -13.252 -0.124 -0.693 489 HG23 VAL 59 2HG2 VAL 59 -13.755 1.000 -1.955 490 H ILE 60 H ILE 60 -11.365 2.072 -1.042 491 HA ILE 60 HA ILE 60 -11.820 4.531 -2.593 492 HB ILE 60 HB ILE 60 -9.264 2.955 -2.245 493 HG12 ILE 60 2HG1 ILE 60 -9.951 4.148 -0.200 494 HG13 ILE 60 1HG1 ILE 60 -8.503 4.861 -0.904 495 HG21 ILE 60 1HG2 ILE 60 -9.326 4.016 -4.410 496 HG22 ILE 60 2HG2 ILE 60 -8.200 4.881 -3.363 497 HG23 ILE 60 3HG2 ILE 60 -9.801 5.549 -3.680 498 HD11 ILE 60 3HD1 ILE 60 -9.832 6.662 -1.842 499 HD12 ILE 60 1HD1 ILE 60 -10.062 6.552 -0.098 500 HD13 ILE 60 2HD1 ILE 60 -11.301 5.935 -1.190 501 H LEU 61 H LEU 61 -12.691 4.252 -4.511 502 HA LEU 61 HA LEU 61 -11.997 1.826 -6.041 503 HB2 LEU 61 2HB LEU 61 -14.580 3.400 -6.053 504 HB3 LEU 61 1HB LEU 61 -14.216 2.074 -7.142 505 HG LEU 61 HG LEU 61 -14.453 1.855 -4.138 506 HD11 LEU 61 1HD1 LEU 61 -16.492 0.580 -4.636 507 HD12 LEU 61 2HD1 LEU 61 -16.309 0.982 -6.344 508 HD13 LEU 61 3HD1 LEU 61 -16.603 2.260 -5.164 509 HD21 LEU 61 3HD2 LEU 61 -14.039 -0.263 -6.249 510 HD22 LEU 61 1HD2 LEU 61 -14.344 -0.566 -4.539 511 HD23 LEU 61 2HD2 LEU 61 -12.863 0.251 -5.038 512 H ARG 62 H ARG 62 -11.069 4.783 -5.821 513 HA ARG 62 HA ARG 62 -11.144 5.398 -8.693 514 HB2 ARG 62 2HB ARG 62 -10.352 7.149 -6.355 515 HB3 ARG 62 1HB ARG 62 -10.337 7.642 -8.043 516 HG2 ARG 62 2HG ARG 62 -12.805 6.748 -6.575 517 HG3 ARG 62 1HG ARG 62 -12.309 8.431 -6.760 518 HD2 ARG 62 2HD ARG 62 -12.812 6.551 -9.062 519 HD3 ARG 62 1HD ARG 62 -14.014 7.673 -8.421 520 HE ARG 62 HE ARG 62 -11.489 8.445 -9.738 521 HH11 ARG 62 1HH1 ARG 62 -14.811 9.068 -8.873 522 HH12 ARG 62 2HH1 ARG 62 -14.848 10.656 -9.577 523 HH21 ARG 62 1HH2 ARG 62 -11.530 10.512 -10.741 524 HH22 ARG 62 2HH2 ARG 62 -12.963 11.489 -10.617 525 H GLU 63 H GLU 63 -9.428 4.698 -9.800 526 HA GLU 63 HA GLU 63 -7.004 4.022 -8.294 527 HB2 GLU 63 2HB GLU 63 -7.740 3.229 -11.112 528 HB3 GLU 63 1HB GLU 63 -6.459 2.546 -10.117 529 HG2 GLU 63 2HG GLU 63 -8.154 1.686 -8.561 530 HG3 GLU 63 1HG GLU 63 -9.419 2.333 -9.607 531 H ASP 64 H ASP 64 -8.150 6.477 -10.220 532 HA ASP 64 HA ASP 64 -5.795 6.920 -11.821 533 HB2 ASP 64 2HB ASP 64 -8.113 7.509 -12.567 534 HB3 ASP 64 1HB ASP 64 -8.125 8.790 -11.359 535 H LEU 65 H LEU 65 -6.892 7.866 -8.709 536 HA LEU 65 HA LEU 65 -5.380 10.281 -8.505 537 HB2 LEU 65 2HB LEU 65 -6.570 8.520 -6.359 538 HB3 LEU 65 1HB LEU 65 -5.894 10.115 -6.090 539 HG LEU 65 HG LEU 65 -8.309 9.523 -7.804 540 HD11 LEU 65 1HD1 LEU 65 -8.737 9.139 -5.432 541 HD12 LEU 65 2HD1 LEU 65 -9.582 10.573 -6.014 542 HD13 LEU 65 3HD1 LEU 65 -8.112 10.743 -5.055 543 HD21 LEU 65 3HD2 LEU 65 -7.109 12.145 -6.917 544 HD22 LEU 65 1HD2 LEU 65 -8.597 11.943 -7.843 545 HD23 LEU 65 2HD2 LEU 65 -7.050 11.484 -8.550 546 H THR 66 H THR 66 -3.432 10.633 -7.412 547 HA THR 66 HA THR 66 -1.697 8.306 -7.182 548 HB THR 66 HB THR 66 0.117 9.984 -6.820 549 HG1 THR 66 HG1 THR 66 -0.339 12.156 -6.963 550 HG21 THR 66 3HG2 THR 66 0.108 10.885 -9.117 551 HG22 THR 66 1HG2 THR 66 -1.580 10.406 -9.283 552 HG23 THR 66 2HG2 THR 66 -0.333 9.178 -9.073 553 H VAL 67 H VAL 67 -0.400 7.963 -5.267 554 HA VAL 67 HA VAL 67 -1.886 7.994 -2.891 555 HB VAL 67 HB VAL 67 0.228 7.354 -1.748 556 HG11 VAL 67 1HG1 VAL 67 0.547 5.247 -2.937 557 HG12 VAL 67 2HG1 VAL 67 -0.284 5.908 -4.345 558 HG13 VAL 67 3HG1 VAL 67 -1.164 5.665 -2.836 559 HG21 VAL 67 3HG2 VAL 67 2.247 7.000 -3.108 560 HG22 VAL 67 1HG2 VAL 67 1.799 8.703 -2.996 561 HG23 VAL 67 2HG2 VAL 67 1.450 7.794 -4.466 562 H GLU 68 H GLU 68 0.368 10.293 -4.209 563 HA GLU 68 HA GLU 68 0.777 11.808 -1.844 564 HB2 GLU 68 2HB GLU 68 2.293 11.858 -3.786 565 HB3 GLU 68 1HB GLU 68 1.034 12.625 -4.743 566 HG2 GLU 68 2HG GLU 68 1.069 14.491 -3.038 567 HG3 GLU 68 1HG GLU 68 2.550 13.759 -2.415 568 H GLN 69 H GLN 69 -1.414 12.161 -4.629 569 HA GLN 69 HA GLN 69 -2.558 14.596 -3.691 570 HB2 GLN 69 2HB GLN 69 -3.461 12.622 -5.785 571 HB3 GLN 69 1HB GLN 69 -4.325 14.114 -5.435 572 HG2 GLN 69 2HG GLN 69 -2.338 15.405 -6.030 573 HG3 GLN 69 1HG GLN 69 -1.473 13.909 -6.377 574 HE21 GLN 69 1HE2 GLN 69 -2.012 12.720 -8.206 575 HE22 GLN 69 2HE2 GLN 69 -2.922 13.412 -9.510 576 H CYS 70 H CYS 70 -3.176 11.264 -3.052 577 HA CYS 70 HA CYS 70 -5.800 11.791 -1.922 578 HB2 CYS 70 2HB CYS 70 -5.324 9.689 -3.180 579 HB3 CYS 70 1HB CYS 70 -4.193 9.226 -1.913 580 HG CYS 70 HG CYS 70 -6.431 9.485 0.025 581 H GLN 71 H GLN 71 -2.663 12.154 -0.932 582 HA GLN 71 HA GLN 71 -1.633 12.541 1.049 583 HB2 GLN 71 2HB GLN 71 -4.463 12.725 2.109 584 HB3 GLN 71 1HB GLN 71 -3.025 13.243 2.972 585 HG2 GLN 71 2HG GLN 71 -4.057 14.396 0.392 586 HG3 GLN 71 1HG GLN 71 -4.197 15.125 1.990 587 HE21 GLN 71 1HE2 GLN 71 -2.925 16.148 -0.422 588 HE22 GLN 71 2HE2 GLN 71 -1.276 16.448 -0.008 589 H ILE 72 H ILE 72 -1.733 9.922 0.322 590 HA ILE 72 HA ILE 72 -2.710 8.256 2.441 591 HB ILE 72 HB ILE 72 -0.805 7.633 0.178 592 HG12 ILE 72 2HG1 ILE 72 -3.053 8.229 -0.581 593 HG13 ILE 72 1HG1 ILE 72 -2.759 6.510 -0.823 594 HG21 ILE 72 1HG2 ILE 72 -1.287 5.261 0.689 595 HG22 ILE 72 2HG2 ILE 72 -2.153 5.773 2.137 596 HG23 ILE 72 3HG2 ILE 72 -0.423 6.081 1.990 597 HD11 ILE 72 3HD1 ILE 72 -4.999 6.884 0.002 598 HD12 ILE 72 1HD1 ILE 72 -4.364 7.745 1.404 599 HD13 ILE 72 2HD1 ILE 72 -4.042 6.022 1.206 600 H VAL 73 H VAL 73 -1.822 8.424 4.394 601 HA VAL 73 HA VAL 73 1.100 8.616 4.612 602 HB VAL 73 HB VAL 73 0.719 9.299 6.963 603 HG11 VAL 73 1HG1 VAL 73 0.999 10.988 5.240 604 HG12 VAL 73 2HG1 VAL 73 -0.149 11.544 6.459 605 HG13 VAL 73 3HG1 VAL 73 -0.730 10.956 4.902 606 HG21 VAL 73 3HG2 VAL 73 -2.202 9.334 6.198 607 HG22 VAL 73 1HG2 VAL 73 -1.518 9.910 7.719 608 HG23 VAL 73 2HG2 VAL 73 -1.446 8.195 7.311 609 HA PRO 74 HA PRO 74 1.515 4.473 5.995 610 HB2 PRO 74 2HB PRO 74 3.335 5.455 8.111 611 HB3 PRO 74 1HB PRO 74 3.643 4.309 6.803 612 HG2 PRO 74 2HG PRO 74 4.641 6.785 6.740 613 HG3 PRO 74 1HG PRO 74 4.085 5.971 5.268 614 HD2 PRO 74 2HD PRO 74 2.742 8.099 6.879 615 HD3 PRO 74 1HD PRO 74 2.795 7.879 5.117 616 H THR 75 H THR 75 1.304 6.831 8.651 617 HA THR 75 HA THR 75 0.335 4.831 10.473 618 HB THR 75 HB THR 75 1.779 6.503 11.391 619 HG1 THR 75 HG1 THR 75 -0.916 6.614 12.231 620 HG21 THR 75 3HG2 THR 75 1.417 8.326 9.840 621 HG22 THR 75 1HG2 THR 75 1.157 8.889 11.491 622 HG23 THR 75 2HG2 THR 75 -0.224 8.554 10.445 623 H SER 76 H SER 76 -1.487 4.299 9.030 624 HA SER 76 HA SER 76 -3.873 5.510 10.141 625 HB2 SER 76 2HB SER 76 -3.372 5.421 7.155 626 HB3 SER 76 1HB SER 76 -4.959 5.684 7.880 627 HG SER 76 HG SER 76 -2.996 7.323 8.877 628 H ASP 77 H ASP 77 -5.820 4.148 9.569 629 HA ASP 77 HA ASP 77 -5.023 1.374 9.747 630 HB2 ASP 77 2HB ASP 77 -6.792 2.236 11.214 631 HB3 ASP 77 1HB ASP 77 -7.778 2.623 9.809 632 H ILE 78 H ILE 78 -4.110 1.294 7.615 633 HA ILE 78 HA ILE 78 -5.984 1.290 5.388 634 HB ILE 78 HB ILE 78 -3.021 0.659 5.394 635 HG12 ILE 78 2HG1 ILE 78 -4.457 3.220 4.644 636 HG13 ILE 78 1HG1 ILE 78 -3.523 2.977 6.117 637 HG21 ILE 78 1HG2 ILE 78 -4.878 1.300 3.097 638 HG22 ILE 78 2HG2 ILE 78 -4.267 -0.306 3.497 639 HG23 ILE 78 3HG2 ILE 78 -3.151 0.959 2.981 640 HD11 ILE 78 3HD1 ILE 78 -1.507 2.660 4.784 641 HD12 ILE 78 1HD1 ILE 78 -2.265 4.218 4.457 642 HD13 ILE 78 2HD1 ILE 78 -2.445 2.892 3.309 643 H GLN 79 H GLN 79 -7.254 -0.457 5.365 644 HA GLN 79 HA GLN 79 -6.083 -3.035 6.173 645 HB2 GLN 79 2HB GLN 79 -7.969 -1.978 7.530 646 HB3 GLN 79 1HB GLN 79 -9.010 -2.323 6.157 647 HG2 GLN 79 2HG GLN 79 -9.129 -4.016 7.951 648 HG3 GLN 79 1HG GLN 79 -8.641 -4.676 6.389 649 HE21 GLN 79 1HE2 GLN 79 -7.502 -3.671 9.541 650 HE22 GLN 79 2HE2 GLN 79 -6.039 -4.598 9.525 651 H LEU 80 H LEU 80 -5.923 -4.576 4.698 652 HA LEU 80 HA LEU 80 -7.382 -4.267 2.180 653 HB2 LEU 80 2HB LEU 80 -5.089 -6.063 2.955 654 HB3 LEU 80 1HB LEU 80 -5.921 -6.163 1.416 655 HG LEU 80 HG LEU 80 -4.290 -3.843 2.440 656 HD11 LEU 80 1HD1 LEU 80 -2.856 -4.368 0.548 657 HD12 LEU 80 2HD1 LEU 80 -3.913 -5.706 0.101 658 HD13 LEU 80 3HD1 LEU 80 -3.015 -5.761 1.617 659 HD21 LEU 80 3HD2 LEU 80 -4.754 -2.779 0.287 660 HD22 LEU 80 1HD2 LEU 80 -6.239 -3.024 1.208 661 HD23 LEU 80 2HD2 LEU 80 -5.845 -4.098 -0.136 662 H GLU 81 H GLU 81 -9.399 -4.997 2.512 663 HA GLU 81 HA GLU 81 -9.860 -7.519 3.836 664 HB2 GLU 81 2HB GLU 81 -11.499 -5.728 4.082 665 HB3 GLU 81 1HB GLU 81 -11.745 -5.688 2.340 666 HG2 GLU 81 2HG GLU 81 -12.660 -7.930 2.392 667 HG3 GLU 81 1HG GLU 81 -12.358 -8.028 4.128 668 H VAL 82 H VAL 82 -9.950 -9.445 2.882 669 HA VAL 82 HA VAL 82 -9.341 -9.655 0.087 670 HB VAL 82 HB VAL 82 -8.312 -11.224 1.615 671 HG11 VAL 82 1HG1 VAL 82 -11.089 -12.224 2.225 672 HG12 VAL 82 2HG1 VAL 82 -10.049 -11.319 3.322 673 HG13 VAL 82 3HG1 VAL 82 -9.581 -12.938 2.799 674 HG21 VAL 82 3HG2 VAL 82 -10.290 -12.576 -0.215 675 HG22 VAL 82 1HG2 VAL 82 -8.860 -13.339 0.480 676 HG23 VAL 82 2HG2 VAL 82 -8.682 -11.995 -0.649 677 H SER 83 H SER 83 -10.763 -9.626 -1.479 678 HA SER 83 HA SER 83 -13.569 -10.235 -0.899 679 HB2 SER 83 2HB SER 83 -12.855 -8.059 -2.032 680 HB3 SER 83 1HB SER 83 -12.444 -9.037 -3.439 681 HG SER 83 HG SER 83 -14.968 -8.512 -2.303 682 H SER 84 H SER 84 -14.567 -11.073 -3.239 683 HA SER 84 HA SER 84 -13.414 -13.723 -3.480 684 HB2 SER 84 2HB SER 84 -15.482 -14.175 -4.834 685 HB3 SER 84 1HB SER 84 -15.816 -13.593 -3.201 686 HG SER 84 HG SER 84 -15.705 -11.930 -5.495
Contact the webmaster for help, if required. Monday, May 6, 2024 2:20:38 AM GMT (wattos1)