NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
531443 | 2lel | 17716 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1H VAL 1 3.328 15.879 -11.794 2 H2 VAL 1 2H VAL 1 1.696 16.267 -12.057 3 HA VAL 1 HA VAL 1 2.887 14.424 -10.114 4 HB VAL 1 HB VAL 1 0.411 16.151 -9.935 5 HG11 VAL 1 2HG1 VAL 1 2.365 15.027 -7.906 6 HG12 VAL 1 3HG1 VAL 1 0.697 14.510 -8.152 7 HG13 VAL 1 1HG1 VAL 1 1.036 16.118 -7.517 8 HG21 VAL 1 1HG2 VAL 1 2.215 17.624 -10.624 9 HG22 VAL 1 2HG2 VAL 1 3.315 16.890 -9.456 10 HG23 VAL 1 3HG2 VAL 1 1.948 17.855 -8.896 11 H ASP 2 H ASP 2 -0.425 15.106 -11.256 12 HA ASP 2 HA ASP 2 -2.237 13.712 -11.534 13 HB2 ASP 2 2HB ASP 2 -0.217 11.733 -12.590 14 HB3 ASP 2 1HB ASP 2 -1.905 11.921 -13.063 15 H MET 3 H MET 3 -0.193 13.286 -9.158 16 HA MET 3 HA MET 3 -0.446 10.590 -8.344 17 HB2 MET 3 2HB MET 3 1.157 12.324 -7.417 18 HB3 MET 3 1HB MET 3 -0.205 12.972 -6.503 19 HG2 MET 3 2HG MET 3 0.921 11.426 -5.051 20 HG3 MET 3 1HG MET 3 -0.561 10.633 -5.583 21 HE1 MET 3 3HE MET 3 1.738 7.602 -5.397 22 HE2 MET 3 1HE MET 3 0.068 8.161 -5.243 23 HE3 MET 3 2HE MET 3 1.348 8.927 -4.306 24 H SER 4 H SER 4 -2.484 13.428 -7.873 25 HA SER 4 HA SER 4 -4.221 12.420 -5.920 26 HB2 SER 4 2HB SER 4 -4.825 14.325 -8.193 27 HB3 SER 4 1HB SER 4 -5.839 14.078 -6.774 28 HG SER 4 HG SER 4 -3.656 14.545 -5.668 29 H ASN 5 H ASN 5 -4.164 11.987 -9.419 30 HA ASN 5 HA ASN 5 -6.705 10.781 -9.699 31 HB2 ASN 5 2HB ASN 5 -5.365 11.638 -11.598 32 HB3 ASN 5 1HB ASN 5 -4.213 10.325 -11.358 33 HD21 ASN 5 1HD2 ASN 5 -4.681 9.283 -13.403 34 HD22 ASN 5 2HD2 ASN 5 -6.171 8.528 -13.702 35 H VAL 6 H VAL 6 -3.468 9.389 -9.201 36 HA VAL 6 HA VAL 6 -4.331 6.680 -9.208 37 HB VAL 6 HB VAL 6 -1.888 7.849 -7.857 38 HG11 VAL 6 1HG1 VAL 6 -2.340 5.539 -7.218 39 HG12 VAL 6 2HG1 VAL 6 -0.974 5.570 -8.335 40 HG13 VAL 6 3HG1 VAL 6 -2.571 5.086 -8.907 41 HG21 VAL 6 3HG2 VAL 6 -2.321 6.904 -10.709 42 HG22 VAL 6 1HG2 VAL 6 -0.754 7.311 -10.010 43 HG23 VAL 6 2HG2 VAL 6 -1.985 8.559 -10.201 44 H VAL 7 H VAL 7 -5.106 5.405 -7.615 45 HA VAL 7 HA VAL 7 -4.815 6.019 -4.830 46 HB VAL 7 HB VAL 7 -6.559 7.656 -5.398 47 HG11 VAL 7 1HG1 VAL 7 -8.254 5.275 -6.190 48 HG12 VAL 7 2HG1 VAL 7 -7.424 6.300 -7.361 49 HG13 VAL 7 3HG1 VAL 7 -8.675 6.983 -6.321 50 HG21 VAL 7 3HG2 VAL 7 -7.791 5.312 -3.925 51 HG22 VAL 7 1HG2 VAL 7 -8.115 7.029 -3.677 52 HG23 VAL 7 2HG2 VAL 7 -6.555 6.349 -3.211 53 H LYS 8 H LYS 8 -5.178 4.238 -3.591 54 HA LYS 8 HA LYS 8 -6.827 2.046 -4.509 55 HB2 LYS 8 2HB LYS 8 -4.504 1.865 -5.665 56 HB3 LYS 8 1HB LYS 8 -3.912 1.410 -4.070 57 HG2 LYS 8 2HG LYS 8 -4.450 -0.689 -4.922 58 HG3 LYS 8 1HG LYS 8 -5.965 -0.276 -4.122 59 HD2 LYS 8 2HD LYS 8 -6.746 -0.938 -6.223 60 HD3 LYS 8 1HD LYS 8 -6.579 0.798 -6.465 61 HE2 LYS 8 2HE LYS 8 -4.411 0.488 -7.538 62 HE3 LYS 8 1HE LYS 8 -4.446 -1.240 -7.185 63 HZ1 LYS 8 3HZ LYS 8 -5.254 -0.249 -9.483 64 HZ2 LYS 8 1HZ LYS 8 -6.718 -0.129 -8.636 65 HZ3 LYS 8 2HZ LYS 8 -5.955 -1.638 -8.800 66 H THR 9 H THR 9 -7.657 1.006 -2.788 67 HA THR 9 HA THR 9 -6.164 0.807 -0.293 68 HB THR 9 HB THR 9 -8.840 2.216 -0.322 69 HG1 THR 9 1HG THR 9 -7.194 3.923 0.458 70 HG21 THR 9 3HG2 THR 9 -8.242 0.943 1.731 71 HG22 THR 9 1HG2 THR 9 -8.305 2.682 2.014 72 HG23 THR 9 2HG2 THR 9 -6.748 1.873 1.844 73 H TYR 10 H TYR 10 -6.371 -1.302 0.088 74 HA TYR 10 HA TYR 10 -8.970 -2.634 -0.394 75 HB2 TYR 10 2HB TYR 10 -6.338 -3.950 0.236 76 HB3 TYR 10 1HB TYR 10 -7.785 -4.696 -0.409 77 HD1 TYR 10 2HD TYR 10 -8.659 -3.806 -2.680 78 HD2 TYR 10 1HD TYR 10 -4.655 -3.183 -1.244 79 HE1 TYR 10 2HE TYR 10 -7.894 -3.380 -4.997 80 HE2 TYR 10 1HE TYR 10 -3.895 -2.761 -3.563 81 HH TYR 10 HH TYR 10 -4.991 -3.607 -6.041 82 H ASP 11 H ASP 11 -10.234 -2.562 1.375 83 HA ASP 11 HA ASP 11 -9.339 -2.172 4.011 84 HB2 ASP 11 2HB ASP 11 -11.914 -3.300 2.911 85 HB3 ASP 11 1HB ASP 11 -11.645 -2.986 4.626 86 H LEU 12 H LEU 12 -7.778 -3.587 4.683 87 HA LEU 12 HA LEU 12 -7.936 -6.423 4.347 88 HB2 LEU 12 2HB LEU 12 -6.086 -4.475 5.493 89 HB3 LEU 12 1HB LEU 12 -6.221 -5.881 6.538 90 HG LEU 12 HG LEU 12 -5.674 -7.352 4.616 91 HD11 LEU 12 1HD1 LEU 12 -6.433 -6.163 2.699 92 HD12 LEU 12 2HD1 LEU 12 -4.679 -6.125 2.579 93 HD13 LEU 12 3HD1 LEU 12 -5.555 -4.707 3.161 94 HD21 LEU 12 3HD2 LEU 12 -3.816 -5.094 5.368 95 HD22 LEU 12 1HD2 LEU 12 -3.283 -6.362 4.265 96 HD23 LEU 12 2HD2 LEU 12 -3.781 -6.774 5.907 97 H GLN 13 H GLN 13 -8.105 -7.981 6.097 98 HA GLN 13 HA GLN 13 -10.423 -7.453 7.725 99 HB2 GLN 13 2HB GLN 13 -10.121 -9.788 8.478 100 HB3 GLN 13 1HB GLN 13 -10.085 -9.660 6.718 101 HG2 GLN 13 2HG GLN 13 -7.595 -9.611 6.806 102 HG3 GLN 13 1HG GLN 13 -7.678 -9.849 8.552 103 HE21 GLN 13 1HE2 GLN 13 -9.870 -11.410 6.210 104 HE22 GLN 13 2HE2 GLN 13 -9.314 -12.993 6.504 105 H ASP 14 H ASP 14 -7.036 -7.160 8.121 106 HA ASP 14 HA ASP 14 -7.038 -7.448 11.009 107 HB2 ASP 14 2HB ASP 14 -4.916 -6.404 9.118 108 HB3 ASP 14 1HB ASP 14 -4.682 -6.746 10.832 109 H GLY 15 H GLY 15 -8.586 -5.302 9.359 110 HA2 GLY 15 2HA GLY 15 -9.427 -3.236 10.018 111 HA3 GLY 15 1HA GLY 15 -8.226 -3.189 11.311 112 H SER 16 H SER 16 -6.138 -3.871 9.196 113 HA SER 16 HA SER 16 -5.439 -1.137 8.577 114 HB2 SER 16 2HB SER 16 -4.090 -3.757 7.889 115 HB3 SER 16 1HB SER 16 -3.410 -2.162 7.576 116 HG SER 16 HG SER 16 -4.281 -2.351 10.119 117 H LYS 17 H LYS 17 -4.266 -1.156 6.174 118 HA LYS 17 HA LYS 17 -5.912 -2.324 4.123 119 HB2 LYS 17 2HB LYS 17 -6.741 -0.174 3.214 120 HB3 LYS 17 1HB LYS 17 -7.408 -0.521 4.811 121 HG2 LYS 17 2HG LYS 17 -5.412 0.876 5.716 122 HG3 LYS 17 1HG LYS 17 -5.260 1.465 4.060 123 HD2 LYS 17 2HD LYS 17 -7.757 2.028 4.193 124 HD3 LYS 17 1HD LYS 17 -7.615 1.761 5.931 125 HE2 LYS 17 2HE LYS 17 -5.896 3.483 6.096 126 HE3 LYS 17 1HE LYS 17 -5.910 3.703 4.347 127 HZ1 LYS 17 3HZ LYS 17 -7.582 4.882 6.274 128 HZ2 LYS 17 1HZ LYS 17 -8.536 3.930 5.245 129 HZ3 LYS 17 2HZ LYS 17 -7.546 5.150 4.596 130 H VAL 18 H VAL 18 -4.571 -2.707 2.472 131 HA VAL 18 HA VAL 18 -1.970 -1.494 2.394 132 HB VAL 18 HB VAL 18 -2.685 -2.880 -0.095 133 HG11 VAL 18 1HG1 VAL 18 -0.777 -4.286 0.519 134 HG12 VAL 18 2HG1 VAL 18 -0.766 -3.586 2.136 135 HG13 VAL 18 3HG1 VAL 18 -0.386 -2.580 0.738 136 HG21 VAL 18 3HG2 VAL 18 -3.033 -5.115 0.916 137 HG22 VAL 18 1HG2 VAL 18 -4.354 -4.019 1.283 138 HG23 VAL 18 2HG2 VAL 18 -3.140 -4.365 2.508 139 H HIS 19 H HIS 19 -1.106 -0.295 0.610 140 HA HIS 19 HA HIS 19 -3.028 1.131 -1.105 141 HB2 HIS 19 2HB HIS 19 -2.927 2.894 0.371 142 HB3 HIS 19 1HB HIS 19 -1.490 2.264 1.164 143 HD1 HIS 19 1HD HIS 19 -2.596 4.557 -1.578 144 HD2 HIS 19 2HD HIS 19 0.985 3.136 0.019 145 HE1 HIS 19 1HE HIS 19 -0.756 6.005 -2.545 146 HE2 HIS 19 2HE HIS 19 1.434 5.151 -1.583 147 H VAL 20 H VAL 20 -2.292 0.831 -3.125 148 HA VAL 20 HA VAL 20 0.513 0.185 -3.524 149 HB VAL 20 HB VAL 20 -0.049 -0.752 -5.569 150 HG11 VAL 20 1HG1 VAL 20 -2.469 -0.930 -3.776 151 HG12 VAL 20 2HG1 VAL 20 -1.236 -2.136 -4.094 152 HG13 VAL 20 3HG1 VAL 20 -2.422 -1.759 -5.327 153 HG21 VAL 20 3HG2 VAL 20 -2.222 1.323 -5.655 154 HG22 VAL 20 1HG2 VAL 20 -2.294 -0.085 -6.714 155 HG23 VAL 20 2HG2 VAL 20 -0.928 1.023 -6.811 156 H PHE 21 H PHE 21 1.818 1.158 -5.151 157 HA PHE 21 HA PHE 21 1.386 4.072 -5.332 158 HB2 PHE 21 2HB PHE 21 3.848 2.342 -5.657 159 HB3 PHE 21 1HB PHE 21 3.826 4.080 -5.951 160 HD1 PHE 21 1HD PHE 21 3.525 1.441 -3.391 161 HD2 PHE 21 2HD PHE 21 3.596 5.671 -4.128 162 HE1 PHE 21 1HE PHE 21 3.805 1.860 -0.961 163 HE2 PHE 21 2HE PHE 21 3.874 6.091 -1.700 164 HZ PHE 21 HZ PHE 21 3.979 4.184 -0.116 165 H LYS 22 H LYS 22 3.084 4.574 -7.497 166 HA LYS 22 HA LYS 22 1.306 4.078 -9.685 167 HB2 LYS 22 2HB LYS 22 2.655 6.162 -9.400 168 HB3 LYS 22 1HB LYS 22 4.109 5.228 -9.736 169 HG2 LYS 22 2HG LYS 22 1.902 4.969 -11.747 170 HG3 LYS 22 1HG LYS 22 2.691 6.539 -11.673 171 HD2 LYS 22 2HD LYS 22 4.906 5.387 -11.919 172 HD3 LYS 22 1HD LYS 22 4.044 3.865 -12.144 173 HE2 LYS 22 2HE LYS 22 2.923 4.733 -14.118 174 HE3 LYS 22 1HE LYS 22 3.630 6.328 -13.859 175 HZ1 LYS 22 3HZ LYS 22 5.845 5.222 -14.046 176 HZ2 LYS 22 1HZ LYS 22 4.938 5.237 -15.478 177 HZ3 LYS 22 2HZ LYS 22 5.042 3.815 -14.555 178 H ASP 23 H ASP 23 4.283 2.645 -8.525 179 HA ASP 23 HA ASP 23 4.821 1.175 -10.944 180 HB2 ASP 23 2HB ASP 23 6.599 1.835 -9.338 181 HB3 ASP 23 1HB ASP 23 5.903 0.724 -8.155 182 H GLY 24 H GLY 24 2.214 0.894 -9.259 183 HA2 GLY 24 2HA GLY 24 0.669 -0.796 -8.979 184 HA3 GLY 24 1HA GLY 24 1.759 -1.850 -9.878 185 H LYS 25 H LYS 25 3.777 -0.824 -7.656 186 HA LYS 25 HA LYS 25 3.744 -3.193 -6.086 187 HB2 LYS 25 2HB LYS 25 5.081 -0.496 -5.702 188 HB3 LYS 25 1HB LYS 25 5.412 -1.894 -4.690 189 HG2 LYS 25 2HG LYS 25 5.628 -2.162 -7.684 190 HG3 LYS 25 1HG LYS 25 6.941 -1.402 -6.787 191 HD2 LYS 25 2HD LYS 25 7.075 -3.416 -5.327 192 HD3 LYS 25 1HD LYS 25 5.834 -4.186 -6.313 193 HE2 LYS 25 2HE LYS 25 8.496 -3.180 -7.358 194 HE3 LYS 25 1HE LYS 25 8.125 -4.866 -6.997 195 HZ1 LYS 25 3HZ LYS 25 6.063 -4.030 -8.579 196 HZ2 LYS 25 1HZ LYS 25 7.372 -4.992 -9.065 197 HZ3 LYS 25 2HZ LYS 25 7.430 -3.309 -9.284 198 H MET 26 H MET 26 3.044 -3.542 -3.993 199 HA MET 26 HA MET 26 0.808 -1.954 -3.103 200 HB2 MET 26 2HB MET 26 1.991 -4.591 -2.379 201 HB3 MET 26 1HB MET 26 1.045 -3.774 -1.136 202 HG2 MET 26 2HG MET 26 -0.895 -3.724 -2.488 203 HG3 MET 26 1HG MET 26 0.010 -4.115 -3.952 204 HE1 MET 26 3HE MET 26 -1.642 -5.657 -4.571 205 HE2 MET 26 1HE MET 26 -1.617 -7.375 -4.144 206 HE3 MET 26 2HE MET 26 -0.214 -6.635 -4.913 207 H GLY 27 H GLY 27 0.669 -1.708 -0.587 208 HA2 GLY 27 2HA GLY 27 3.173 -0.850 0.652 209 HA3 GLY 27 1HA GLY 27 2.014 0.433 0.310 210 H MET 28 H MET 28 2.968 -1.893 2.540 211 HA MET 28 HA MET 28 0.400 -2.363 3.751 212 HB2 MET 28 2HB MET 28 2.436 -3.921 3.780 213 HB3 MET 28 1HB MET 28 3.089 -2.855 5.018 214 HG2 MET 28 2HG MET 28 1.933 -4.680 6.108 215 HG3 MET 28 1HG MET 28 1.015 -3.198 6.349 216 HE1 MET 28 3HE MET 28 -1.847 -3.849 6.291 217 HE2 MET 28 1HE MET 28 -0.572 -4.647 7.222 218 HE3 MET 28 2HE MET 28 -1.764 -5.607 6.357 219 H GLU 29 H GLU 29 -0.386 -0.280 4.178 220 HA GLU 29 HA GLU 29 1.017 1.244 6.300 221 HB2 GLU 29 2HB GLU 29 -1.271 2.251 4.610 222 HB3 GLU 29 1HB GLU 29 -0.090 3.184 5.530 223 HG2 GLU 29 2HG GLU 29 1.702 2.367 4.014 224 HG3 GLU 29 1HG GLU 29 0.486 1.511 3.069 225 H ASN 30 H ASN 30 0.266 0.750 8.275 226 HA ASN 30 HA ASN 30 -2.308 -0.424 8.711 227 HB2 ASN 30 2HB ASN 30 -1.746 -0.277 11.085 228 HB3 ASN 30 1HB ASN 30 -0.376 -0.903 10.167 229 HD21 ASN 30 1HD2 ASN 30 -1.632 2.379 11.026 230 HD22 ASN 30 2HD2 ASN 30 -0.112 2.987 11.493 231 H LYS 31 H LYS 31 -4.114 0.460 9.725 232 HA LYS 31 HA LYS 31 -4.728 3.137 9.037 233 HB2 LYS 31 2HB LYS 31 -6.871 2.739 9.960 234 HB3 LYS 31 1HB LYS 31 -6.353 1.189 9.302 235 HG2 LYS 31 2HG LYS 31 -6.269 2.034 12.223 236 HG3 LYS 31 1HG LYS 31 -7.327 0.827 11.502 237 HD2 LYS 31 2HD LYS 31 -5.218 -0.427 10.801 238 HD3 LYS 31 1HD LYS 31 -4.330 0.666 11.865 239 HE2 LYS 31 2HE LYS 31 -4.901 -1.380 13.077 240 HE3 LYS 31 1HE LYS 31 -5.796 -0.018 13.751 241 HZ1 LYS 31 3HZ LYS 31 -7.160 -1.316 11.585 242 HZ2 LYS 31 1HZ LYS 31 -7.731 -0.894 13.125 243 HZ3 LYS 31 2HZ LYS 31 -6.882 -2.349 12.903 244 H PHE 32 H PHE 32 -2.837 2.006 11.521 245 HA PHE 32 HA PHE 32 -3.678 3.868 13.569 246 HB2 PHE 32 2HB PHE 32 -2.500 1.567 13.874 247 HB3 PHE 32 1HB PHE 32 -1.015 2.452 13.525 248 HD1 PHE 32 2HD PHE 32 -4.047 2.514 15.716 249 HD2 PHE 32 1HD PHE 32 0.060 3.680 15.234 250 HE1 PHE 32 2HE PHE 32 -4.006 3.340 18.055 251 HE2 PHE 32 1HE PHE 32 0.099 4.507 17.573 252 HZ PHE 32 HZ PHE 32 -1.934 4.336 18.982 253 H GLY 33 H GLY 33 -2.672 4.704 10.777 254 HA2 GLY 33 2HA GLY 33 -1.592 6.556 9.931 255 HA3 GLY 33 1HA GLY 33 -1.425 7.125 11.591 256 H LYS 34 H LYS 34 -0.218 4.000 10.727 257 HA LYS 34 HA LYS 34 2.548 4.995 10.476 258 HB2 LYS 34 2HB LYS 34 1.570 2.939 12.470 259 HB3 LYS 34 1HB LYS 34 3.269 3.172 12.052 260 HG2 LYS 34 2HG LYS 34 3.042 5.581 12.708 261 HG3 LYS 34 1HG LYS 34 1.406 5.233 13.264 262 HD2 LYS 34 2HD LYS 34 2.386 3.455 14.767 263 HD3 LYS 34 1HD LYS 34 3.987 4.054 14.325 264 HE2 LYS 34 2HE LYS 34 3.405 6.286 15.179 265 HE3 LYS 34 1HE LYS 34 1.789 5.714 15.597 266 HZ1 LYS 34 3HZ LYS 34 2.617 5.084 17.534 267 HZ2 LYS 34 1HZ LYS 34 4.200 5.456 17.054 268 HZ3 LYS 34 2HZ LYS 34 3.554 3.919 16.727 269 H SER 35 H SER 35 4.014 2.971 10.050 270 HA SER 35 HA SER 35 2.697 1.387 7.920 271 HB2 SER 35 2HB SER 35 5.660 1.831 8.264 272 HB3 SER 35 1HB SER 35 4.802 1.270 6.832 273 HG SER 35 HG SER 35 3.663 3.456 7.184 274 H MET 36 H MET 36 3.342 -0.825 7.648 275 HA MET 36 HA MET 36 4.538 -2.123 10.023 276 HB2 MET 36 2HB MET 36 1.895 -2.770 8.704 277 HB3 MET 36 1HB MET 36 2.778 -3.954 9.673 278 HG2 MET 36 2HG MET 36 2.054 -1.194 10.693 279 HG3 MET 36 1HG MET 36 1.039 -2.617 10.945 280 HE1 MET 36 3HE MET 36 2.281 -4.976 11.773 281 HE2 MET 36 1HE MET 36 1.162 -4.063 12.794 282 HE3 MET 36 2HE MET 36 2.640 -4.731 13.480 283 H ASN 37 H ASN 37 6.306 -3.080 9.270 284 HA ASN 37 HA ASN 37 6.704 -3.752 6.539 285 HB2 ASN 37 2HB ASN 37 8.567 -3.232 8.072 286 HB3 ASN 37 1HB ASN 37 8.232 -4.716 8.965 287 HD21 ASN 37 1HD2 ASN 37 7.924 -6.679 7.158 288 HD22 ASN 37 2HD2 ASN 37 9.228 -6.778 6.073 289 H MET 38 H MET 38 5.086 -5.128 5.837 290 HA MET 38 HA MET 38 4.714 -7.696 7.183 291 HB2 MET 38 2HB MET 38 2.656 -6.841 6.483 292 HB3 MET 38 1HB MET 38 3.317 -6.204 4.978 293 HG2 MET 38 2HG MET 38 3.419 -8.382 4.008 294 HG3 MET 38 1HG MET 38 3.146 -9.166 5.543 295 HE1 MET 38 3HE MET 38 0.083 -9.994 5.931 296 HE2 MET 38 1HE MET 38 -0.236 -8.398 6.614 297 HE3 MET 38 2HE MET 38 1.330 -9.168 6.862 298 HA PRO 39 HA PRO 39 7.846 -9.345 4.390 299 HB2 PRO 39 2HB PRO 39 7.572 -12.023 4.930 300 HB3 PRO 39 1HB PRO 39 8.406 -10.890 6.014 301 HG2 PRO 39 2HG PRO 39 5.630 -11.975 6.186 302 HG3 PRO 39 1HG PRO 39 6.817 -11.705 7.477 303 HD2 PRO 39 2HD PRO 39 4.747 -9.986 6.988 304 HD3 PRO 39 1HD PRO 39 6.297 -9.448 7.664 305 H GLU 40 H GLU 40 7.727 -9.691 2.266 306 HA GLU 40 HA GLU 40 5.479 -9.861 0.747 307 HB2 GLU 40 2HB GLU 40 7.789 -9.482 -0.110 308 HB3 GLU 40 1HB GLU 40 8.107 -11.207 0.073 309 HG2 GLU 40 2HG GLU 40 5.751 -10.225 -1.543 310 HG3 GLU 40 1HG GLU 40 7.358 -10.349 -2.257 311 H GLY 41 H GLY 41 4.081 -11.386 0.055 312 HA2 GLY 41 2HA GLY 41 3.419 -13.601 -0.508 313 HA3 GLY 41 1HA GLY 41 4.630 -14.231 0.602 314 H LYS 42 H LYS 42 3.506 -11.960 2.501 315 HA LYS 42 HA LYS 42 1.820 -13.743 3.965 316 HB2 LYS 42 2HB LYS 42 3.300 -11.672 4.743 317 HB3 LYS 42 1HB LYS 42 1.798 -10.803 4.533 318 HG2 LYS 42 2HG LYS 42 1.618 -11.477 6.764 319 HG3 LYS 42 1HG LYS 42 0.772 -12.785 5.941 320 HD2 LYS 42 2HD LYS 42 3.162 -13.895 5.864 321 HD3 LYS 42 1HD LYS 42 3.521 -12.757 7.162 322 HE2 LYS 42 2HE LYS 42 2.774 -14.776 8.219 323 HE3 LYS 42 1HE LYS 42 1.443 -13.626 8.342 324 HZ1 LYS 42 3HZ LYS 42 0.165 -15.032 7.239 325 HZ2 LYS 42 1HZ LYS 42 1.439 -16.146 7.138 326 HZ3 LYS 42 2HZ LYS 42 1.219 -14.993 5.908 327 H VAL 43 H VAL 43 0.295 -14.269 2.387 328 HA VAL 43 HA VAL 43 -1.357 -12.775 0.862 329 HB VAL 43 HB VAL 43 -2.384 -15.034 2.577 330 HG11 VAL 43 1HG1 VAL 43 -3.790 -15.450 0.571 331 HG12 VAL 43 2HG1 VAL 43 -3.096 -14.021 -0.192 332 HG13 VAL 43 3HG1 VAL 43 -4.083 -13.852 1.259 333 HG21 VAL 43 3HG2 VAL 43 -0.679 -15.034 0.074 334 HG22 VAL 43 1HG2 VAL 43 -1.621 -16.435 0.586 335 HG23 VAL 43 2HG2 VAL 43 -0.330 -15.817 1.616 336 H MET 44 H MET 44 -2.703 -11.111 1.156 337 HA MET 44 HA MET 44 -3.834 -10.651 3.863 338 HB2 MET 44 2HB MET 44 -3.705 -8.638 1.622 339 HB3 MET 44 1HB MET 44 -3.983 -8.341 3.323 340 HG2 MET 44 2HG MET 44 -1.700 -8.875 3.863 341 HG3 MET 44 1HG MET 44 -1.393 -9.476 2.236 342 HE1 MET 44 3HE MET 44 -0.973 -6.568 0.000 343 HE2 MET 44 1HE MET 44 -2.580 -7.273 0.177 344 HE3 MET 44 2HE MET 44 -1.154 -8.300 0.253 345 H GLU 45 H GLU 45 -6.045 -10.589 4.085 346 HA GLU 45 HA GLU 45 -7.662 -11.073 1.631 347 HB2 GLU 45 2HB GLU 45 -7.470 -13.019 3.200 348 HB3 GLU 45 1HB GLU 45 -8.266 -12.036 4.433 349 HG2 GLU 45 2HG GLU 45 -10.238 -11.785 3.029 350 HG3 GLU 45 1HG GLU 45 -9.440 -12.632 1.702 351 H THR 46 H THR 46 -9.052 -9.519 1.149 352 HA THR 46 HA THR 46 -9.592 -7.370 2.980 353 HB THR 46 HB THR 46 -10.837 -6.385 1.194 354 HG1 THR 46 1HG THR 46 -12.000 -7.624 -0.007 355 HG21 THR 46 3HG2 THR 46 -9.234 -6.502 -0.645 356 HG22 THR 46 1HG2 THR 46 -8.585 -8.015 -0.010 357 HG23 THR 46 2HG2 THR 46 -8.376 -6.519 0.897 358 H ARG 47 H ARG 47 -11.921 -6.640 3.304 359 HA ARG 47 HA ARG 47 -13.307 -8.577 4.813 360 HB2 ARG 47 2HB ARG 47 -15.169 -6.888 4.803 361 HB3 ARG 47 1HB ARG 47 -13.608 -6.240 5.313 362 HG2 ARG 47 2HG ARG 47 -13.226 -5.428 2.985 363 HG3 ARG 47 1HG ARG 47 -14.845 -5.984 2.556 364 HD2 ARG 47 2HD ARG 47 -15.834 -4.482 4.209 365 HD3 ARG 47 1HD ARG 47 -14.235 -3.974 4.741 366 HE ARG 47 HE ARG 47 -14.442 -3.496 1.973 367 HH11 ARG 47 1HH2 ARG 47 -15.765 -2.452 4.995 368 HH12 ARG 47 2HH2 ARG 47 -16.096 -0.842 4.450 369 HH21 ARG 47 1HH1 ARG 47 -14.875 -1.387 1.252 370 HH22 ARG 47 2HH1 ARG 47 -15.593 -0.238 2.332 371 H ASP 48 H ASP 48 -13.683 -7.437 1.496 372 HA ASP 48 HA ASP 48 -16.116 -8.865 0.993 373 HB2 ASP 48 2HB ASP 48 -14.061 -7.790 -0.956 374 HB3 ASP 48 1HB ASP 48 -15.702 -8.306 -1.358 375 H GLY 49 H GLY 49 -12.992 -9.884 1.506 376 HA2 GLY 49 2HA GLY 49 -12.199 -12.078 1.478 377 HA3 GLY 49 1HA GLY 49 -13.582 -12.546 0.490 378 H THR 50 H THR 50 -11.468 -9.839 -0.285 379 HA THR 50 HA THR 50 -10.816 -11.096 -2.846 380 HB THR 50 HB THR 50 -10.015 -8.365 -1.825 381 HG1 THR 50 1HG THR 50 -12.309 -9.280 -3.200 382 HG21 THR 50 3HG2 THR 50 -9.738 -7.866 -4.202 383 HG22 THR 50 1HG2 THR 50 -10.271 -9.494 -4.624 384 HG23 THR 50 2HG2 THR 50 -8.750 -9.260 -3.763 385 H LYS 51 H LYS 51 -9.085 -12.356 -2.998 386 HA LYS 51 HA LYS 51 -7.009 -12.361 -1.011 387 HB2 LYS 51 2HB LYS 51 -7.720 -14.427 -2.142 388 HB3 LYS 51 1HB LYS 51 -7.161 -13.776 -3.685 389 HG2 LYS 51 2HG LYS 51 -4.886 -13.784 -2.983 390 HG3 LYS 51 1HG LYS 51 -5.330 -14.023 -1.293 391 HD2 LYS 51 2HD LYS 51 -4.538 -16.137 -2.211 392 HD3 LYS 51 1HD LYS 51 -6.269 -16.257 -1.897 393 HE2 LYS 51 2HE LYS 51 -6.813 -16.035 -4.198 394 HE3 LYS 51 1HE LYS 51 -5.200 -15.449 -4.605 395 HZ1 LYS 51 3HZ LYS 51 -4.841 -17.573 -5.161 396 HZ2 LYS 51 1HZ LYS 51 -6.147 -18.155 -4.250 397 HZ3 LYS 51 2HZ LYS 51 -4.662 -17.828 -3.491 398 H ILE 52 H ILE 52 -5.467 -10.890 -0.929 399 HA ILE 52 HA ILE 52 -4.136 -10.039 -3.431 400 HB ILE 52 HB ILE 52 -3.886 -7.750 -2.169 401 HG12 ILE 52 2HG1 ILE 52 -6.542 -8.629 -1.020 402 HG13 ILE 52 1HG1 ILE 52 -5.051 -8.793 -0.115 403 HG21 ILE 52 1HG2 ILE 52 -5.927 -6.927 -3.225 404 HG22 ILE 52 2HG2 ILE 52 -6.551 -8.574 -3.340 405 HG23 ILE 52 3HG2 ILE 52 -5.135 -8.100 -4.282 406 HD11 ILE 52 3HD1 ILE 52 -6.088 -6.675 0.460 407 HD12 ILE 52 1HD1 ILE 52 -6.203 -6.236 -1.240 408 HD13 ILE 52 2HD1 ILE 52 -4.625 -6.351 -0.462 409 H ILE 53 H ILE 53 -2.103 -10.630 -3.313 410 HA ILE 53 HA ILE 53 -0.847 -11.216 -0.755 411 HB ILE 53 HB ILE 53 0.273 -11.436 -3.554 412 HG12 ILE 53 2HG1 ILE 53 -0.924 -13.593 -1.788 413 HG13 ILE 53 1HG1 ILE 53 -1.804 -12.804 -3.100 414 HG21 ILE 53 1HG2 ILE 53 2.014 -11.383 -1.855 415 HG22 ILE 53 2HG2 ILE 53 1.831 -13.042 -2.425 416 HG23 ILE 53 3HG2 ILE 53 1.142 -12.561 -0.875 417 HD11 ILE 53 3HD1 ILE 53 -0.006 -13.524 -4.680 418 HD12 ILE 53 1HD1 ILE 53 -0.845 -14.883 -3.931 419 HD13 ILE 53 2HD1 ILE 53 0.755 -14.410 -3.358 420 H MET 54 H MET 54 0.875 -10.166 0.145 421 HA MET 54 HA MET 54 1.171 -7.394 -0.411 422 HB2 MET 54 2HB MET 54 1.569 -8.451 1.826 423 HB3 MET 54 1HB MET 54 3.035 -9.181 1.176 424 HG2 MET 54 2HG MET 54 3.845 -7.213 2.182 425 HG3 MET 54 1HG MET 54 3.676 -6.745 0.507 426 HE1 MET 54 3HE MET 54 3.816 -4.179 1.625 427 HE2 MET 54 1HE MET 54 2.273 -3.445 1.170 428 HE3 MET 54 2HE MET 54 3.074 -4.559 0.072 429 H LYS 55 H LYS 55 1.641 -7.402 -2.680 430 HA LYS 55 HA LYS 55 3.957 -8.645 -3.772 431 HB2 LYS 55 2HB LYS 55 1.944 -7.817 -5.076 432 HB3 LYS 55 1HB LYS 55 2.540 -6.180 -4.817 433 HG2 LYS 55 2HG LYS 55 4.447 -6.520 -6.142 434 HG3 LYS 55 1HG LYS 55 4.360 -8.273 -6.009 435 HD2 LYS 55 2HD LYS 55 3.651 -7.641 -8.239 436 HD3 LYS 55 1HD LYS 55 2.238 -8.211 -7.353 437 HE2 LYS 55 2HE LYS 55 1.816 -6.100 -8.638 438 HE3 LYS 55 1HE LYS 55 1.537 -5.924 -6.907 439 HZ1 LYS 55 3HZ LYS 55 2.836 -4.089 -7.850 440 HZ2 LYS 55 1HZ LYS 55 4.048 -5.183 -8.306 441 HZ3 LYS 55 2HZ LYS 55 3.701 -4.939 -6.660 442 H GLY 56 H GLY 56 3.302 -5.185 -3.392 443 HA2 GLY 56 2HA GLY 56 6.067 -4.468 -3.490 444 HA3 GLY 56 1HA GLY 56 4.717 -3.400 -3.149 445 H ASN 57 H ASN 57 6.789 -5.870 -1.641 446 HA ASN 57 HA ASN 57 5.948 -5.236 1.023 447 HB2 ASN 57 2HB ASN 57 6.934 -7.408 0.544 448 HB3 ASN 57 1HB ASN 57 8.433 -6.641 0.014 449 HD21 ASN 57 1HD2 ASN 57 6.671 -5.328 2.773 450 HD22 ASN 57 2HD2 ASN 57 7.788 -5.833 3.956 451 H GLU 58 H GLU 58 7.770 -3.582 -1.230 452 HA GLU 58 HA GLU 58 9.688 -2.366 0.550 453 HB2 GLU 58 2HB GLU 58 8.785 -1.535 -2.221 454 HB3 GLU 58 1HB GLU 58 10.196 -0.913 -1.363 455 HG2 GLU 58 2HG GLU 58 11.203 -3.137 -1.328 456 HG3 GLU 58 1HG GLU 58 9.767 -3.825 -2.088 457 H ILE 59 H ILE 59 8.069 -1.758 2.187 458 HA ILE 59 HA ILE 59 6.094 0.224 1.626 459 HB ILE 59 HB ILE 59 5.990 0.425 4.119 460 HG12 ILE 59 2HG1 ILE 59 8.115 -1.741 4.077 461 HG13 ILE 59 1HG1 ILE 59 8.471 -0.047 4.423 462 HG21 ILE 59 1HG2 ILE 59 6.099 -2.450 3.160 463 HG22 ILE 59 2HG2 ILE 59 4.778 -1.346 2.771 464 HG23 ILE 59 3HG2 ILE 59 5.092 -1.791 4.449 465 HD11 ILE 59 3HD1 ILE 59 8.026 -1.634 6.430 466 HD12 ILE 59 1HD1 ILE 59 6.331 -1.517 5.963 467 HD13 ILE 59 2HD1 ILE 59 7.219 -0.066 6.420 468 H PHE 60 H PHE 60 9.456 0.360 1.909 469 HA PHE 60 HA PHE 60 10.012 2.730 3.217 470 HB2 PHE 60 2HB PHE 60 11.719 1.192 2.279 471 HB3 PHE 60 1HB PHE 60 11.310 1.760 0.659 472 HD1 PHE 60 2HD PHE 60 12.862 2.650 3.880 473 HD2 PHE 60 1HD PHE 60 11.886 4.017 -0.073 474 HE1 PHE 60 2HE PHE 60 14.381 4.587 4.175 475 HE2 PHE 60 1HE PHE 60 13.406 5.955 0.223 476 HZ PHE 60 HZ PHE 60 14.653 6.240 2.347 477 H ARG 61 H ARG 61 8.523 2.249 0.090 478 HA ARG 61 HA ARG 61 8.912 4.720 -1.115 479 HB2 ARG 61 2HB ARG 61 6.355 3.103 -1.156 480 HB3 ARG 61 1HB ARG 61 6.870 4.283 -2.360 481 HG2 ARG 61 2HG ARG 61 8.434 1.778 -1.668 482 HG3 ARG 61 1HG ARG 61 7.316 1.895 -3.026 483 HD2 ARG 61 2HD ARG 61 8.744 3.985 -3.697 484 HD3 ARG 61 1HD ARG 61 9.955 3.287 -2.626 485 HE ARG 61 HE ARG 61 10.369 1.704 -4.257 486 HH11 ARG 61 1HH2 ARG 61 7.234 3.104 -4.689 487 HH12 ARG 61 2HH2 ARG 61 6.916 2.272 -6.175 488 HH21 ARG 61 1HH1 ARG 61 9.958 0.609 -6.204 489 HH22 ARG 61 2HH1 ARG 61 8.457 0.859 -7.032 490 H LEU 62 H LEU 62 6.348 3.774 1.176 491 HA LEU 62 HA LEU 62 4.894 6.122 1.239 492 HB2 LEU 62 2HB LEU 62 4.134 4.185 2.457 493 HB3 LEU 62 1HB LEU 62 5.565 4.207 3.484 494 HG LEU 62 HG LEU 62 4.870 6.281 4.526 495 HD11 LEU 62 1HD1 LEU 62 2.534 7.181 3.832 496 HD12 LEU 62 2HD1 LEU 62 2.780 6.267 2.346 497 HD13 LEU 62 3HD1 LEU 62 3.900 7.555 2.784 498 HD21 LEU 62 3HD2 LEU 62 2.370 4.594 4.310 499 HD22 LEU 62 1HD2 LEU 62 2.950 5.508 5.703 500 HD23 LEU 62 2HD2 LEU 62 3.796 4.047 5.193 501 H ASP 63 H ASP 63 7.717 5.279 3.247 502 HA ASP 63 HA ASP 63 7.890 7.745 4.606 503 HB2 ASP 63 2HB ASP 63 10.089 5.777 3.938 504 HB3 ASP 63 1HB ASP 63 10.193 7.057 5.143 505 H GLU 64 H GLU 64 7.679 9.468 3.176 506 HA GLU 64 HA GLU 64 8.339 11.056 1.649 507 HB2 GLU 64 2HB GLU 64 11.074 9.993 2.404 508 HB3 GLU 64 1HB GLU 64 10.759 11.523 1.585 509 HG2 GLU 64 2HG GLU 64 9.609 10.796 4.290 510 HG3 GLU 64 1HG GLU 64 11.078 11.745 4.073 511 H ALA 65 H ALA 65 10.224 11.246 -0.259 512 HA ALA 65 HA ALA 65 10.638 8.861 -1.770 513 HB1 ALA 65 1HB ALA 65 8.417 10.704 -2.686 514 HB2 ALA 65 2HB ALA 65 8.232 9.033 -2.156 515 HB3 ALA 65 3HB ALA 65 9.109 9.394 -3.643 516 H LEU 66 H LEU 66 11.528 9.351 -3.949 517 HA LEU 66 HA LEU 66 13.255 11.689 -3.797 518 HB2 LEU 66 2HB LEU 66 14.114 10.662 -6.025 519 HB3 LEU 66 1HB LEU 66 14.440 9.802 -4.522 520 HG LEU 66 HG LEU 66 11.878 9.132 -5.940 521 HD11 LEU 66 1HD1 LEU 66 13.012 7.549 -7.435 522 HD12 LEU 66 2HD1 LEU 66 14.582 8.110 -6.861 523 HD13 LEU 66 3HD1 LEU 66 13.539 9.197 -7.776 524 HD21 LEU 66 3HD2 LEU 66 13.919 7.234 -4.770 525 HD22 LEU 66 1HD2 LEU 66 12.174 7.026 -4.920 526 HD23 LEU 66 2HD2 LEU 66 12.831 8.136 -3.720 527 H ARG 67 H ARG 67 10.185 11.164 -4.869 528 HA ARG 67 HA ARG 67 8.762 12.278 -6.286 529 HB2 ARG 67 2HB ARG 67 9.711 14.223 -5.028 530 HB3 ARG 67 1HB ARG 67 10.918 14.400 -6.300 531 HG2 ARG 67 2HG ARG 67 9.195 14.790 -7.962 532 HG3 ARG 67 1HG ARG 67 7.927 14.446 -6.785 533 HD2 ARG 67 2HD ARG 67 8.148 16.856 -7.009 534 HD3 ARG 67 1HD ARG 67 8.735 16.376 -5.419 535 HE ARG 67 HE ARG 67 10.893 16.412 -7.257 536 HH11 ARG 67 1HH2 ARG 67 8.696 18.481 -5.565 537 HH12 ARG 67 2HH2 ARG 67 9.789 19.822 -5.502 538 HH21 ARG 67 1HH1 ARG 67 12.333 18.167 -7.180 539 HH22 ARG 67 2HH1 ARG 67 11.849 19.645 -6.416 540 H LYS 68 H LYS 68 9.322 10.541 -7.842 541 HA LYS 68 HA LYS 68 11.268 10.891 -9.866 542 HB2 LYS 68 2HB LYS 68 9.854 9.205 -11.116 543 HB3 LYS 68 1HB LYS 68 10.373 8.701 -9.508 544 HG2 LYS 68 2HG LYS 68 8.233 9.141 -8.564 545 HG3 LYS 68 1HG LYS 68 7.712 10.053 -9.982 546 HD2 LYS 68 2HD LYS 68 6.734 7.757 -9.910 547 HD3 LYS 68 1HD LYS 68 7.731 8.024 -11.340 548 HE2 LYS 68 2HE LYS 68 8.086 5.820 -10.030 549 HE3 LYS 68 1HE LYS 68 9.519 6.743 -10.482 550 HZ1 LYS 68 3HZ LYS 68 9.414 7.798 -8.261 551 HZ2 LYS 68 1HZ LYS 68 9.705 6.128 -8.201 552 HZ3 LYS 68 2HZ LYS 68 8.158 6.733 -7.845 553 H GLY 69 H GLY 69 10.437 10.880 -12.275 554 HA2 GLY 69 2HA GLY 69 9.448 13.491 -12.805 555 HA3 GLY 69 1HA GLY 69 9.718 12.226 -14.001 556 H HIS 70 H HIS 70 7.802 10.874 -11.708 557 HA HIS 70 HA HIS 70 5.627 10.103 -11.859 558 HB2 HIS 70 2HB HIS 70 3.985 11.851 -11.514 559 HB3 HIS 70 1HB HIS 70 5.446 12.255 -10.612 560 HD2 HIS 70 2HD HIS 70 6.802 14.563 -11.521 561 HE1 HIS 70 1HE HIS 70 4.103 15.504 -14.629 562 HE2 HIS 70 2HE HIS 70 6.108 16.335 -13.310 563 H SER 71 H SER 71 7.043 10.283 -14.425 564 HA SER 71 HA SER 71 4.800 9.866 -16.152 565 HB2 SER 71 2HB SER 71 6.492 12.336 -16.585 566 HB3 SER 71 1HB SER 71 5.403 11.657 -17.790 567 HG SER 71 HG SER 71 4.862 13.029 -15.438 568 H GLU 72 H GLU 72 7.896 11.233 -17.142 569 HA GLU 72 HA GLU 72 8.468 9.081 -18.900 570 HB2 GLU 72 2HB GLU 72 10.330 11.193 -17.786 571 HB3 GLU 72 1HB GLU 72 10.651 10.169 -19.186 572 HG2 GLU 72 2HG GLU 72 8.278 12.040 -18.972 573 HG3 GLU 72 1HG GLU 72 9.787 12.456 -19.782 574 H GLY 73 H GLY 73 10.101 7.491 -18.771 575 HA2 GLY 73 2HA GLY 73 11.319 5.830 -17.746 576 HA3 GLY 73 1HA GLY 73 11.771 7.039 -16.549 577 H GLY 74 H GLY 74 8.602 5.647 -17.388 578 HA2 GLY 74 2HA GLY 74 7.670 5.493 -14.744 579 HA3 GLY 74 1HA GLY 74 7.015 4.587 -16.104 580 H1 HOH 201 H2 HOH 77 1.293 12.608 -15.285 581 H2 HOH 201 H1 HOH 77 2.335 11.773 -14.573 Start of MODEL 2 1 H1 VAL 1 1H VAL 1 -2.090 15.335 -6.521 2 H2 VAL 1 2H VAL 1 -1.288 14.628 -5.202 3 HA VAL 1 HA VAL 1 -3.511 13.627 -5.928 4 HB VAL 1 HB VAL 1 -3.040 14.464 -3.049 5 HG11 VAL 1 2HG1 VAL 1 -4.629 12.201 -4.297 6 HG12 VAL 1 3HG1 VAL 1 -5.271 13.543 -3.349 7 HG13 VAL 1 1HG1 VAL 1 -4.260 12.322 -2.575 8 HG21 VAL 1 1HG2 VAL 1 -1.060 13.385 -3.898 9 HG22 VAL 1 2HG2 VAL 1 -2.014 12.154 -4.722 10 HG23 VAL 1 3HG2 VAL 1 -1.938 12.176 -2.960 11 H ASP 2 H ASP 2 -4.778 15.163 -7.121 12 HA ASP 2 HA ASP 2 -6.913 16.331 -5.528 13 HB2 ASP 2 2HB ASP 2 -5.443 18.123 -7.463 14 HB3 ASP 2 1HB ASP 2 -6.674 18.568 -6.282 15 H MET 3 H MET 3 -5.724 16.932 -8.831 16 HA MET 3 HA MET 3 -8.262 16.687 -10.033 17 HB2 MET 3 2HB MET 3 -5.510 16.356 -11.254 18 HB3 MET 3 1HB MET 3 -7.009 16.568 -12.163 19 HG2 MET 3 2HG MET 3 -7.370 18.736 -10.966 20 HG3 MET 3 1HG MET 3 -5.792 18.537 -10.203 21 HE1 MET 3 3HE MET 3 -6.362 21.015 -11.483 22 HE2 MET 3 1HE MET 3 -5.173 21.364 -12.746 23 HE3 MET 3 2HE MET 3 -4.647 20.746 -11.182 24 H SER 4 H SER 4 -5.528 14.395 -9.944 25 HA SER 4 HA SER 4 -6.972 12.292 -11.229 26 HB2 SER 4 2HB SER 4 -4.478 12.171 -9.518 27 HB3 SER 4 1HB SER 4 -5.075 10.881 -10.558 28 HG SER 4 HG SER 4 -4.114 11.856 -12.140 29 H ASN 5 H ASN 5 -5.979 12.819 -7.842 30 HA ASN 5 HA ASN 5 -6.777 11.946 -5.870 31 HB2 ASN 5 2HB ASN 5 -8.780 13.224 -6.650 32 HB3 ASN 5 1HB ASN 5 -9.380 11.746 -7.399 33 HD21 ASN 5 1HD2 ASN 5 -8.409 13.097 -4.215 34 HD22 ASN 5 2HD2 ASN 5 -9.403 12.065 -3.307 35 H VAL 6 H VAL 6 -6.228 10.139 -8.455 36 HA VAL 6 HA VAL 6 -7.621 7.710 -7.925 37 HB VAL 6 HB VAL 6 -6.562 8.275 -10.110 38 HG11 VAL 6 1HG1 VAL 6 -4.184 8.168 -10.381 39 HG12 VAL 6 2HG1 VAL 6 -3.960 7.561 -8.739 40 HG13 VAL 6 3HG1 VAL 6 -4.475 9.228 -9.001 41 HG21 VAL 6 3HG2 VAL 6 -7.103 5.918 -9.401 42 HG22 VAL 6 1HG2 VAL 6 -5.435 5.756 -8.850 43 HG23 VAL 6 2HG2 VAL 6 -5.778 6.022 -10.559 44 H VAL 7 H VAL 7 -7.108 6.001 -6.653 45 HA VAL 7 HA VAL 7 -4.529 5.500 -5.573 46 HB VAL 7 HB VAL 7 -4.997 7.463 -4.200 47 HG11 VAL 7 1HG1 VAL 7 -7.443 5.970 -3.216 48 HG12 VAL 7 2HG1 VAL 7 -7.508 7.251 -4.427 49 HG13 VAL 7 3HG1 VAL 7 -6.950 7.609 -2.794 50 HG21 VAL 7 3HG2 VAL 7 -5.468 4.991 -2.516 51 HG22 VAL 7 1HG2 VAL 7 -4.613 6.464 -2.057 52 HG23 VAL 7 2HG2 VAL 7 -3.903 5.364 -3.238 53 H LYS 8 H LYS 8 -4.431 3.524 -4.518 54 HA LYS 8 HA LYS 8 -6.876 1.884 -4.699 55 HB2 LYS 8 2HB LYS 8 -4.748 1.167 -5.842 56 HB3 LYS 8 1HB LYS 8 -4.018 0.996 -4.251 57 HG2 LYS 8 2HG LYS 8 -5.038 -1.017 -3.879 58 HG3 LYS 8 1HG LYS 8 -6.611 -0.400 -4.384 59 HD2 LYS 8 2HD LYS 8 -4.473 -1.071 -6.416 60 HD3 LYS 8 1HD LYS 8 -5.558 -2.305 -5.786 61 HE2 LYS 8 2HE LYS 8 -7.505 -0.912 -6.490 62 HE3 LYS 8 1HE LYS 8 -6.380 0.239 -7.215 63 HZ1 LYS 8 3HZ LYS 8 -5.752 -1.252 -8.828 64 HZ2 LYS 8 1HZ LYS 8 -7.401 -1.615 -8.663 65 HZ3 LYS 8 2HZ LYS 8 -6.234 -2.611 -7.930 66 H THR 9 H THR 9 -7.635 0.683 -2.959 67 HA THR 9 HA THR 9 -6.289 0.827 -0.383 68 HB THR 9 HB THR 9 -9.077 1.961 -0.655 69 HG1 THR 9 1HG THR 9 -8.194 3.838 -0.949 70 HG21 THR 9 3HG2 THR 9 -8.487 0.944 1.524 71 HG22 THR 9 1HG2 THR 9 -8.676 2.693 1.652 72 HG23 THR 9 2HG2 THR 9 -7.062 1.983 1.610 73 H TYR 10 H TYR 10 -6.329 -1.258 0.163 74 HA TYR 10 HA TYR 10 -8.770 -2.850 -0.343 75 HB2 TYR 10 2HB TYR 10 -5.897 -3.628 0.194 76 HB3 TYR 10 1HB TYR 10 -7.217 -4.787 0.240 77 HD1 TYR 10 2HD TYR 10 -8.904 -4.486 -1.921 78 HD2 TYR 10 1HD TYR 10 -4.703 -3.560 -1.818 79 HE1 TYR 10 2HE TYR 10 -8.787 -4.717 -4.382 80 HE2 TYR 10 1HE TYR 10 -4.594 -3.799 -4.278 81 HH TYR 10 HH TYR 10 -7.223 -5.111 -6.116 82 H ASP 11 H ASP 11 -10.129 -2.969 1.327 83 HA ASP 11 HA ASP 11 -9.348 -2.315 4.001 84 HB2 ASP 11 2HB ASP 11 -11.881 -3.450 2.818 85 HB3 ASP 11 1HB ASP 11 -11.687 -3.102 4.536 86 H LEU 12 H LEU 12 -7.780 -3.741 4.683 87 HA LEU 12 HA LEU 12 -8.006 -6.582 4.486 88 HB2 LEU 12 2HB LEU 12 -6.126 -4.611 5.557 89 HB3 LEU 12 1HB LEU 12 -6.250 -6.008 6.619 90 HG LEU 12 HG LEU 12 -5.652 -7.517 4.826 91 HD11 LEU 12 1HD1 LEU 12 -6.241 -5.159 3.100 92 HD12 LEU 12 2HD1 LEU 12 -6.494 -6.877 2.793 93 HD13 LEU 12 3HD1 LEU 12 -4.894 -6.180 2.593 94 HD21 LEU 12 3HD2 LEU 12 -3.403 -6.305 4.074 95 HD22 LEU 12 1HD2 LEU 12 -3.655 -6.767 5.756 96 HD23 LEU 12 2HD2 LEU 12 -3.909 -5.096 5.248 97 H GLN 13 H GLN 13 -8.170 -8.054 6.319 98 HA GLN 13 HA GLN 13 -10.451 -7.385 7.964 99 HB2 GLN 13 2HB GLN 13 -8.734 -9.857 7.690 100 HB3 GLN 13 1HB GLN 13 -10.059 -9.736 8.852 101 HG2 GLN 13 2HG GLN 13 -11.647 -9.294 7.053 102 HG3 GLN 13 1HG GLN 13 -10.342 -9.291 5.867 103 HE21 GLN 13 1HE2 GLN 13 -8.857 -11.551 6.791 104 HE22 GLN 13 2HE2 GLN 13 -9.816 -12.943 6.583 105 H ASP 14 H ASP 14 -7.054 -7.201 8.269 106 HA ASP 14 HA ASP 14 -6.983 -7.430 11.160 107 HB2 ASP 14 2HB ASP 14 -4.885 -6.486 9.190 108 HB3 ASP 14 1HB ASP 14 -4.614 -6.798 10.906 109 H GLY 15 H GLY 15 -8.514 -5.272 9.511 110 HA2 GLY 15 2HA GLY 15 -9.251 -3.150 10.080 111 HA3 GLY 15 1HA GLY 15 -8.108 -3.155 11.424 112 H SER 16 H SER 16 -6.120 -4.008 9.126 113 HA SER 16 HA SER 16 -5.073 -1.350 8.739 114 HB2 SER 16 2HB SER 16 -4.109 -3.888 7.421 115 HB3 SER 16 1HB SER 16 -3.193 -2.414 7.736 116 HG SER 16 HG SER 16 -3.821 -2.918 10.042 117 H LYS 17 H LYS 17 -4.126 -1.059 6.334 118 HA LYS 17 HA LYS 17 -6.090 -1.737 4.284 119 HB2 LYS 17 2HB LYS 17 -5.572 1.108 5.178 120 HB3 LYS 17 1HB LYS 17 -6.337 0.687 3.647 121 HG2 LYS 17 2HG LYS 17 -8.031 -0.652 4.990 122 HG3 LYS 17 1HG LYS 17 -7.351 0.094 6.434 123 HD2 LYS 17 2HD LYS 17 -8.477 1.626 4.072 124 HD3 LYS 17 1HD LYS 17 -9.346 1.322 5.576 125 HE2 LYS 17 2HE LYS 17 -7.298 2.419 6.739 126 HE3 LYS 17 1HE LYS 17 -6.901 3.033 5.134 127 HZ1 LYS 17 3HZ LYS 17 -8.415 4.603 5.388 128 HZ2 LYS 17 1HZ LYS 17 -8.773 4.032 6.944 129 HZ3 LYS 17 2HZ LYS 17 -9.633 3.438 5.604 130 H VAL 18 H VAL 18 -4.983 -2.236 2.511 131 HA VAL 18 HA VAL 18 -2.179 -1.583 2.309 132 HB VAL 18 HB VAL 18 -3.721 -2.769 0.025 133 HG11 VAL 18 1HG1 VAL 18 -1.675 -3.966 -0.365 134 HG12 VAL 18 2HG1 VAL 18 -1.040 -3.503 1.215 135 HG13 VAL 18 3HG1 VAL 18 -1.244 -2.285 -0.045 136 HG21 VAL 18 3HG2 VAL 18 -2.882 -4.341 2.477 137 HG22 VAL 18 1HG2 VAL 18 -3.635 -4.990 1.016 138 HG23 VAL 18 2HG2 VAL 18 -4.549 -3.925 2.081 139 H HIS 19 H HIS 19 -1.207 -0.413 0.587 140 HA HIS 19 HA HIS 19 -2.930 1.309 -1.059 141 HB2 HIS 19 2HB HIS 19 -2.632 2.908 0.594 142 HB3 HIS 19 1HB HIS 19 -1.127 2.192 1.158 143 HD1 HIS 19 1HD HIS 19 -2.495 4.543 -1.449 144 HD2 HIS 19 2HD HIS 19 1.203 3.140 -0.130 145 HE1 HIS 19 1HE HIS 19 -0.741 5.997 -2.557 146 HE2 HIS 19 2HE HIS 19 1.520 5.156 -1.763 147 H VAL 20 H VAL 20 -2.224 0.986 -3.108 148 HA VAL 20 HA VAL 20 0.575 0.191 -3.510 149 HB VAL 20 HB VAL 20 -0.056 -0.861 -5.475 150 HG11 VAL 20 1HG1 VAL 20 -1.711 -2.313 -4.824 151 HG12 VAL 20 2HG1 VAL 20 -2.849 -1.019 -4.479 152 HG13 VAL 20 3HG1 VAL 20 -1.616 -1.428 -3.302 153 HG21 VAL 20 3HG2 VAL 20 -2.308 -0.195 -6.628 154 HG22 VAL 20 1HG2 VAL 20 -0.907 0.859 -6.820 155 HG23 VAL 20 2HG2 VAL 20 -2.173 1.276 -5.663 156 H PHE 21 H PHE 21 1.968 1.210 -4.920 157 HA PHE 21 HA PHE 21 1.519 4.074 -5.214 158 HB2 PHE 21 2HB PHE 21 3.909 2.309 -5.782 159 HB3 PHE 21 1HB PHE 21 3.895 4.060 -5.992 160 HD1 PHE 21 1HD PHE 21 3.537 1.322 -3.509 161 HD2 PHE 21 2HD PHE 21 4.051 5.542 -4.117 162 HE1 PHE 21 1HE PHE 21 4.015 1.612 -1.092 163 HE2 PHE 21 2HE PHE 21 4.527 5.833 -1.701 164 HZ PHE 21 HZ PHE 21 4.510 3.867 -0.189 165 H LYS 22 H LYS 22 2.996 4.663 -7.447 166 HA LYS 22 HA LYS 22 1.109 4.095 -9.549 167 HB2 LYS 22 2HB LYS 22 3.738 5.600 -9.575 168 HB3 LYS 22 1HB LYS 22 2.593 5.540 -10.917 169 HG2 LYS 22 2HG LYS 22 0.923 6.705 -9.687 170 HG3 LYS 22 1HG LYS 22 1.769 6.458 -8.157 171 HD2 LYS 22 2HD LYS 22 2.115 8.756 -8.900 172 HD3 LYS 22 1HD LYS 22 3.639 7.877 -9.010 173 HE2 LYS 22 2HE LYS 22 3.472 7.665 -11.371 174 HE3 LYS 22 1HE LYS 22 1.765 8.109 -11.369 175 HZ1 LYS 22 3HZ LYS 22 2.250 10.276 -11.319 176 HZ2 LYS 22 1HZ LYS 22 3.794 9.809 -11.849 177 HZ3 LYS 22 2HZ LYS 22 3.510 10.084 -10.196 178 H ASP 23 H ASP 23 4.080 2.755 -8.444 179 HA ASP 23 HA ASP 23 4.854 1.553 -10.948 180 HB2 ASP 23 2HB ASP 23 6.501 2.096 -9.180 181 HB3 ASP 23 1HB ASP 23 5.742 0.900 -8.129 182 H GLY 24 H GLY 24 2.307 0.995 -8.975 183 HA2 GLY 24 2HA GLY 24 0.730 -0.718 -9.137 184 HA3 GLY 24 1HA GLY 24 1.900 -1.686 -10.031 185 H LYS 25 H LYS 25 3.830 -0.876 -7.698 186 HA LYS 25 HA LYS 25 3.621 -3.316 -6.246 187 HB2 LYS 25 2HB LYS 25 5.117 -0.727 -5.773 188 HB3 LYS 25 1HB LYS 25 5.277 -2.115 -4.708 189 HG2 LYS 25 2HG LYS 25 5.622 -2.525 -7.662 190 HG3 LYS 25 1HG LYS 25 6.940 -1.793 -6.759 191 HD2 LYS 25 2HD LYS 25 5.672 -4.313 -5.703 192 HD3 LYS 25 1HD LYS 25 6.815 -4.425 -7.038 193 HE2 LYS 25 2HE LYS 25 8.580 -3.483 -5.756 194 HE3 LYS 25 1HE LYS 25 7.475 -2.900 -4.512 195 HZ1 LYS 25 3HZ LYS 25 7.532 -4.851 -3.481 196 HZ2 LYS 25 1HZ LYS 25 8.840 -5.263 -4.479 197 HZ3 LYS 25 2HZ LYS 25 7.263 -5.720 -4.915 198 H MET 26 H MET 26 2.791 -3.727 -4.204 199 HA MET 26 HA MET 26 0.616 -2.040 -3.350 200 HB2 MET 26 2HB MET 26 1.612 -4.757 -2.712 201 HB3 MET 26 1HB MET 26 0.812 -3.930 -1.375 202 HG2 MET 26 2HG MET 26 -1.180 -3.605 -2.660 203 HG3 MET 26 1HG MET 26 -0.387 -4.125 -4.146 204 HE1 MET 26 3HE MET 26 -1.678 -5.880 -4.985 205 HE2 MET 26 1HE MET 26 -1.529 -7.553 -4.426 206 HE3 MET 26 2HE MET 26 -0.089 -6.640 -4.874 207 H GLY 27 H GLY 27 0.538 -2.064 -0.690 208 HA2 GLY 27 2HA GLY 27 3.044 -1.246 0.507 209 HA3 GLY 27 1HA GLY 27 1.940 0.093 0.208 210 H MET 28 H MET 28 2.927 -1.949 2.529 211 HA MET 28 HA MET 28 0.341 -2.535 3.735 212 HB2 MET 28 2HB MET 28 2.377 -4.070 3.793 213 HB3 MET 28 1HB MET 28 3.069 -2.942 4.952 214 HG2 MET 28 2HG MET 28 1.963 -4.697 6.186 215 HG3 MET 28 1HG MET 28 1.026 -3.221 6.361 216 HE1 MET 28 3HE MET 28 -0.612 -4.566 7.330 217 HE2 MET 28 1HE MET 28 -1.929 -5.372 6.471 218 HE3 MET 28 2HE MET 28 -1.714 -3.631 6.322 219 H GLU 29 H GLU 29 -0.331 -0.288 3.965 220 HA GLU 29 HA GLU 29 1.041 1.188 6.143 221 HB2 GLU 29 2HB GLU 29 0.740 2.388 3.987 222 HB3 GLU 29 1HB GLU 29 -1.004 2.181 4.143 223 HG2 GLU 29 2HG GLU 29 -1.022 3.461 6.212 224 HG3 GLU 29 1HG GLU 29 0.737 3.569 6.198 225 H ASN 30 H ASN 30 0.173 0.744 8.076 226 HA ASN 30 HA ASN 30 -2.493 -0.233 8.417 227 HB2 ASN 30 2HB ASN 30 -2.011 -0.230 10.766 228 HB3 ASN 30 1HB ASN 30 -0.541 -0.736 9.933 229 HD21 ASN 30 1HD2 ASN 30 1.271 0.256 10.808 230 HD22 ASN 30 2HD2 ASN 30 1.312 1.837 11.437 231 H LYS 31 H LYS 31 -4.101 0.822 9.838 232 HA LYS 31 HA LYS 31 -4.509 3.578 8.996 233 HB2 LYS 31 2HB LYS 31 -6.745 3.321 9.689 234 HB3 LYS 31 1HB LYS 31 -6.307 1.743 9.038 235 HG2 LYS 31 2HG LYS 31 -6.436 2.525 11.974 236 HG3 LYS 31 1HG LYS 31 -7.500 1.410 11.125 237 HD2 LYS 31 2HD LYS 31 -5.468 -0.010 10.622 238 HD3 LYS 31 1HD LYS 31 -4.559 1.026 11.722 239 HE2 LYS 31 2HE LYS 31 -7.048 -0.546 12.444 240 HE3 LYS 31 1HE LYS 31 -5.398 -0.986 12.883 241 HZ1 LYS 31 3HZ LYS 31 -5.188 0.978 14.181 242 HZ2 LYS 31 1HZ LYS 31 -6.636 0.224 14.640 243 HZ3 LYS 31 2HZ LYS 31 -6.674 1.587 13.626 244 H PHE 32 H PHE 32 -2.779 2.242 11.413 245 HA PHE 32 HA PHE 32 -3.655 3.894 13.618 246 HB2 PHE 32 2HB PHE 32 -2.467 1.562 13.678 247 HB3 PHE 32 1HB PHE 32 -0.983 2.501 13.500 248 HD1 PHE 32 1HD PHE 32 -4.166 2.515 15.493 249 HD2 PHE 32 2HD PHE 32 0.064 3.270 15.456 250 HE1 PHE 32 1HE PHE 32 -4.238 3.051 17.914 251 HE2 PHE 32 2HE PHE 32 -0.009 3.806 17.875 252 HZ PHE 32 HZ PHE 32 -2.161 3.696 19.105 253 H GLY 33 H GLY 33 -2.336 4.797 10.856 254 HA2 GLY 33 2HA GLY 33 -1.384 6.844 10.288 255 HA3 GLY 33 1HA GLY 33 -1.107 7.162 12.000 256 H LYS 34 H LYS 34 -0.049 4.097 10.977 257 HA LYS 34 HA LYS 34 2.703 5.020 10.431 258 HB2 LYS 34 2HB LYS 34 1.836 3.113 12.609 259 HB3 LYS 34 1HB LYS 34 3.477 3.115 11.959 260 HG2 LYS 34 2HG LYS 34 3.872 5.348 12.680 261 HG3 LYS 34 1HG LYS 34 2.159 5.635 12.980 262 HD2 LYS 34 2HD LYS 34 3.293 5.276 15.109 263 HD3 LYS 34 1HD LYS 34 2.218 3.916 14.786 264 HE2 LYS 34 2HE LYS 34 5.114 3.815 13.946 265 HE3 LYS 34 1HE LYS 34 4.637 3.403 15.592 266 HZ1 LYS 34 3HZ LYS 34 3.880 1.451 14.915 267 HZ2 LYS 34 1HZ LYS 34 4.552 1.760 13.389 268 HZ3 LYS 34 2HZ LYS 34 2.929 2.161 13.697 269 H SER 35 H SER 35 4.055 2.864 9.997 270 HA SER 35 HA SER 35 2.525 1.362 7.951 271 HB2 SER 35 2HB SER 35 5.520 1.698 8.208 272 HB3 SER 35 1HB SER 35 4.648 0.973 6.861 273 HG SER 35 HG SER 35 4.612 3.668 7.746 274 H MET 36 H MET 36 3.437 -0.876 7.548 275 HA MET 36 HA MET 36 4.367 -2.245 9.985 276 HB2 MET 36 2HB MET 36 1.772 -2.756 8.530 277 HB3 MET 36 1HB MET 36 2.583 -4.053 9.409 278 HG2 MET 36 2HG MET 36 2.007 -1.381 10.699 279 HG3 MET 36 1HG MET 36 0.827 -2.694 10.708 280 HE1 MET 36 3HE MET 36 2.124 -2.819 14.323 281 HE2 MET 36 1HE MET 36 0.750 -2.623 13.227 282 HE3 MET 36 2HE MET 36 1.974 -1.362 13.343 283 H ASN 37 H ASN 37 6.152 -3.234 9.343 284 HA ASN 37 HA ASN 37 6.745 -3.838 6.631 285 HB2 ASN 37 2HB ASN 37 8.538 -3.367 8.172 286 HB3 ASN 37 1HB ASN 37 8.060 -4.705 9.210 287 HD21 ASN 37 1HD2 ASN 37 7.658 -5.540 5.926 288 HD22 ASN 37 2HD2 ASN 37 9.112 -6.401 5.725 289 H MET 38 H MET 38 5.239 -5.208 5.729 290 HA MET 38 HA MET 38 4.903 -7.880 6.937 291 HB2 MET 38 2HB MET 38 2.811 -6.787 6.425 292 HB3 MET 38 1HB MET 38 3.333 -6.448 4.774 293 HG2 MET 38 2HG MET 38 3.389 -8.831 4.271 294 HG3 MET 38 1HG MET 38 3.053 -9.223 5.948 295 HE1 MET 38 3HE MET 38 0.784 -9.638 6.874 296 HE2 MET 38 1HE MET 38 -0.599 -8.595 6.509 297 HE3 MET 38 2HE MET 38 0.891 -7.900 7.147 298 HA PRO 39 HA PRO 39 7.847 -9.067 3.717 299 HB2 PRO 39 2HB PRO 39 7.866 -11.774 4.105 300 HB3 PRO 39 1HB PRO 39 8.692 -10.639 5.195 301 HG2 PRO 39 2HG PRO 39 6.040 -11.975 5.520 302 HG3 PRO 39 1HG PRO 39 7.321 -11.708 6.718 303 HD2 PRO 39 2HD PRO 39 5.097 -10.126 6.559 304 HD3 PRO 39 1HD PRO 39 6.657 -9.519 7.133 305 H GLU 40 H GLU 40 7.866 -10.208 1.686 306 HA GLU 40 HA GLU 40 5.342 -10.197 0.370 307 HB2 GLU 40 2HB GLU 40 7.350 -9.588 -0.841 308 HB3 GLU 40 1HB GLU 40 8.061 -11.173 -0.526 309 HG2 GLU 40 2HG GLU 40 6.448 -12.275 -1.899 310 HG3 GLU 40 1HG GLU 40 5.443 -10.828 -2.001 311 H GLY 41 H GLY 41 3.863 -11.710 0.804 312 HA2 GLY 41 2HA GLY 41 3.531 -14.133 -0.075 313 HA3 GLY 41 1HA GLY 41 4.701 -14.514 1.186 314 H LYS 42 H LYS 42 3.426 -12.167 2.748 315 HA LYS 42 HA LYS 42 1.640 -13.815 4.268 316 HB2 LYS 42 2HB LYS 42 2.743 -11.063 4.466 317 HB3 LYS 42 1HB LYS 42 1.216 -11.333 5.298 318 HG2 LYS 42 2HG LYS 42 3.456 -13.320 5.668 319 HG3 LYS 42 1HG LYS 42 3.517 -11.792 6.540 320 HD2 LYS 42 2HD LYS 42 1.523 -12.226 7.715 321 HD3 LYS 42 1HD LYS 42 1.029 -13.492 6.589 322 HE2 LYS 42 2HE LYS 42 2.940 -14.886 7.352 323 HE3 LYS 42 1HE LYS 42 3.365 -13.633 8.519 324 HZ1 LYS 42 3HZ LYS 42 0.636 -14.215 8.778 325 HZ2 LYS 42 1HZ LYS 42 1.876 -14.458 9.910 326 HZ3 LYS 42 2HZ LYS 42 1.492 -15.683 8.797 327 H VAL 43 H VAL 43 0.225 -14.348 2.508 328 HA VAL 43 HA VAL 43 -1.351 -12.794 0.945 329 HB VAL 43 HB VAL 43 -2.394 -15.137 2.544 330 HG11 VAL 43 1HG1 VAL 43 -3.788 -15.450 0.483 331 HG12 VAL 43 2HG1 VAL 43 -3.161 -13.918 -0.125 332 HG13 VAL 43 3HG1 VAL 43 -4.142 -13.949 1.339 333 HG21 VAL 43 3HG2 VAL 43 -1.626 -16.452 0.534 334 HG22 VAL 43 1HG2 VAL 43 -0.305 -15.780 1.489 335 HG23 VAL 43 2HG2 VAL 43 -0.781 -15.008 -0.023 336 H MET 44 H MET 44 -2.708 -11.155 1.247 337 HA MET 44 HA MET 44 -3.902 -10.751 3.935 338 HB2 MET 44 2HB MET 44 -3.695 -8.700 1.732 339 HB3 MET 44 1HB MET 44 -4.020 -8.432 3.429 340 HG2 MET 44 2HG MET 44 -1.768 -8.970 4.030 341 HG3 MET 44 1HG MET 44 -1.417 -9.602 2.424 342 HE1 MET 44 3HE MET 44 -1.556 -8.461 0.398 343 HE2 MET 44 1HE MET 44 -0.967 -6.819 0.122 344 HE3 MET 44 2HE MET 44 -2.680 -7.106 0.384 345 H GLU 45 H GLU 45 -6.103 -10.677 4.133 346 HA GLU 45 HA GLU 45 -7.695 -11.151 1.662 347 HB2 GLU 45 2HB GLU 45 -7.580 -13.070 3.255 348 HB3 GLU 45 1HB GLU 45 -8.332 -12.047 4.481 349 HG2 GLU 45 2HG GLU 45 -10.318 -11.772 3.127 350 HG3 GLU 45 1HG GLU 45 -9.558 -12.598 1.765 351 H THR 46 H THR 46 -9.046 -9.577 1.129 352 HA THR 46 HA THR 46 -9.596 -7.417 2.974 353 HB THR 46 HB THR 46 -10.629 -6.319 1.130 354 HG1 THR 46 1HG THR 46 -11.922 -7.710 0.164 355 HG21 THR 46 3HG2 THR 46 -8.108 -6.773 1.063 356 HG22 THR 46 1HG2 THR 46 -8.867 -6.319 -0.462 357 HG23 THR 46 2HG2 THR 46 -8.474 -8.007 -0.141 358 H ARG 47 H ARG 47 -11.790 -6.658 3.416 359 HA ARG 47 HA ARG 47 -13.402 -8.571 4.636 360 HB2 ARG 47 2HB ARG 47 -14.034 -5.799 3.615 361 HB3 ARG 47 1HB ARG 47 -15.195 -6.770 4.526 362 HG2 ARG 47 2HG ARG 47 -13.565 -6.965 6.380 363 HG3 ARG 47 1HG ARG 47 -12.431 -5.957 5.477 364 HD2 ARG 47 2HD ARG 47 -13.899 -4.065 5.578 365 HD3 ARG 47 1HD ARG 47 -15.230 -5.049 6.182 366 HE ARG 47 HE ARG 47 -14.358 -4.770 8.305 367 HH11 ARG 47 1HH2 ARG 47 -11.910 -4.262 5.912 368 HH12 ARG 47 2HH2 ARG 47 -10.697 -3.787 7.054 369 HH21 ARG 47 1HH1 ARG 47 -12.773 -4.150 9.809 370 HH22 ARG 47 2HH1 ARG 47 -11.185 -3.724 9.261 371 H ASP 48 H ASP 48 -13.538 -7.240 1.369 372 HA ASP 48 HA ASP 48 -15.998 -8.481 0.633 373 HB2 ASP 48 2HB ASP 48 -15.054 -6.547 -0.580 374 HB3 ASP 48 1HB ASP 48 -13.711 -7.556 -1.124 375 H GLY 49 H GLY 49 -13.031 -9.784 1.371 376 HA2 GLY 49 2HA GLY 49 -12.384 -12.017 1.322 377 HA3 GLY 49 1HA GLY 49 -13.765 -12.369 0.284 378 H THR 50 H THR 50 -11.413 -9.838 -0.382 379 HA THR 50 HA THR 50 -10.734 -11.165 -2.916 380 HB THR 50 HB THR 50 -9.878 -8.427 -1.968 381 HG1 THR 50 1HG THR 50 -12.155 -8.625 -1.976 382 HG21 THR 50 3HG2 THR 50 -8.624 -9.287 -3.861 383 HG22 THR 50 1HG2 THR 50 -9.733 -8.040 -4.429 384 HG23 THR 50 2HG2 THR 50 -10.116 -9.744 -4.683 385 H LYS 51 H LYS 51 -9.016 -12.460 -2.961 386 HA LYS 51 HA LYS 51 -7.001 -12.390 -0.903 387 HB2 LYS 51 2HB LYS 51 -7.794 -14.484 -2.053 388 HB3 LYS 51 1HB LYS 51 -6.942 -13.939 -3.500 389 HG2 LYS 51 2HG LYS 51 -4.842 -13.786 -2.120 390 HG3 LYS 51 1HG LYS 51 -5.724 -14.524 -0.784 391 HD2 LYS 51 2HD LYS 51 -5.254 -15.755 -3.517 392 HD3 LYS 51 1HD LYS 51 -4.481 -16.243 -2.009 393 HE2 LYS 51 2HE LYS 51 -6.214 -17.802 -2.166 394 HE3 LYS 51 1HE LYS 51 -6.966 -16.556 -1.172 395 HZ1 LYS 51 3HZ LYS 51 -8.477 -16.220 -2.738 396 HZ2 LYS 51 1HZ LYS 51 -7.829 -17.512 -3.627 397 HZ3 LYS 51 2HZ LYS 51 -7.279 -15.929 -3.907 398 H ILE 52 H ILE 52 -5.402 -10.989 -0.863 399 HA ILE 52 HA ILE 52 -4.067 -10.214 -3.390 400 HB ILE 52 HB ILE 52 -3.742 -7.929 -2.120 401 HG12 ILE 52 2HG1 ILE 52 -6.387 -8.830 -0.959 402 HG13 ILE 52 1HG1 ILE 52 -4.884 -8.895 -0.064 403 HG21 ILE 52 1HG2 ILE 52 -5.024 -8.258 -4.237 404 HG22 ILE 52 2HG2 ILE 52 -5.743 -7.040 -3.180 405 HG23 ILE 52 3HG2 ILE 52 -6.447 -8.656 -3.269 406 HD11 ILE 52 3HD1 ILE 52 -6.336 -6.482 -1.112 407 HD12 ILE 52 1HD1 ILE 52 -4.631 -6.393 -0.674 408 HD13 ILE 52 2HD1 ILE 52 -5.832 -6.816 0.543 409 H ILE 53 H ILE 53 -1.977 -10.647 -3.316 410 HA ILE 53 HA ILE 53 -0.723 -11.408 -0.799 411 HB ILE 53 HB ILE 53 0.430 -11.360 -3.595 412 HG12 ILE 53 2HG1 ILE 53 -0.730 -13.693 -2.039 413 HG13 ILE 53 1HG1 ILE 53 -1.613 -12.817 -3.293 414 HG21 ILE 53 1HG2 ILE 53 2.146 -11.406 -1.865 415 HG22 ILE 53 2HG2 ILE 53 2.021 -13.009 -2.588 416 HG23 ILE 53 3HG2 ILE 53 1.295 -12.695 -1.012 417 HD11 ILE 53 3HD1 ILE 53 1.012 -14.295 -3.659 418 HD12 ILE 53 1HD1 ILE 53 0.192 -13.363 -4.912 419 HD13 ILE 53 2HD1 ILE 53 -0.566 -14.814 -4.255 420 H MET 54 H MET 54 1.045 -10.402 0.146 421 HA MET 54 HA MET 54 1.216 -7.569 -0.208 422 HB2 MET 54 2HB MET 54 1.618 -8.745 1.965 423 HB3 MET 54 1HB MET 54 3.113 -9.398 1.291 424 HG2 MET 54 2HG MET 54 3.765 -7.453 2.504 425 HG3 MET 54 1HG MET 54 3.791 -6.977 0.817 426 HE1 MET 54 3HE MET 54 2.216 -3.711 1.189 427 HE2 MET 54 1HE MET 54 3.008 -4.881 0.122 428 HE3 MET 54 2HE MET 54 3.767 -4.415 1.642 429 H LYS 55 H LYS 55 1.708 -7.436 -2.474 430 HA LYS 55 HA LYS 55 4.128 -8.530 -3.547 431 HB2 LYS 55 2HB LYS 55 2.006 -7.821 -4.827 432 HB3 LYS 55 1HB LYS 55 2.615 -6.175 -4.683 433 HG2 LYS 55 2HG LYS 55 3.557 -6.787 -6.722 434 HG3 LYS 55 1HG LYS 55 4.852 -7.243 -5.623 435 HD2 LYS 55 2HD LYS 55 4.658 -9.189 -6.896 436 HD3 LYS 55 1HD LYS 55 3.578 -9.569 -5.558 437 HE2 LYS 55 2HE LYS 55 1.641 -8.854 -6.883 438 HE3 LYS 55 1HE LYS 55 2.701 -8.382 -8.209 439 HZ1 LYS 55 3HZ LYS 55 3.412 -10.960 -7.623 440 HZ2 LYS 55 1HZ LYS 55 2.477 -10.450 -8.942 441 HZ3 LYS 55 2HZ LYS 55 1.716 -10.964 -7.513 442 H GLY 56 H GLY 56 3.207 -5.125 -3.299 443 HA2 GLY 56 2HA GLY 56 5.857 -4.153 -3.384 444 HA3 GLY 56 1HA GLY 56 4.432 -3.230 -2.934 445 H ASN 57 H ASN 57 6.796 -5.558 -1.663 446 HA ASN 57 HA ASN 57 6.057 -5.097 1.078 447 HB2 ASN 57 2HB ASN 57 7.067 -7.217 0.458 448 HB3 ASN 57 1HB ASN 57 8.502 -6.392 -0.152 449 HD21 ASN 57 1HD2 ASN 57 6.871 -5.317 2.806 450 HD22 ASN 57 2HD2 ASN 57 8.109 -5.803 3.869 451 H GLU 58 H GLU 58 7.590 -3.209 -1.160 452 HA GLU 58 HA GLU 58 9.606 -2.040 0.578 453 HB2 GLU 58 2HB GLU 58 8.590 -1.144 -2.130 454 HB3 GLU 58 1HB GLU 58 10.019 -0.525 -1.302 455 HG2 GLU 58 2HG GLU 58 11.031 -2.769 -1.350 456 HG3 GLU 58 1HG GLU 58 9.600 -3.404 -2.159 457 H ILE 59 H ILE 59 7.857 -1.616 2.239 458 HA ILE 59 HA ILE 59 5.902 0.400 1.797 459 HB ILE 59 HB ILE 59 5.924 0.519 4.342 460 HG12 ILE 59 2HG1 ILE 59 7.813 -1.832 4.038 461 HG13 ILE 59 1HG1 ILE 59 8.357 -0.208 4.468 462 HG21 ILE 59 1HG2 ILE 59 5.122 -1.913 4.521 463 HG22 ILE 59 2HG2 ILE 59 5.558 -2.069 2.819 464 HG23 ILE 59 3HG2 ILE 59 4.321 -0.912 3.312 465 HD11 ILE 59 3HD1 ILE 59 7.898 -1.802 6.422 466 HD12 ILE 59 1HD1 ILE 59 6.190 -1.641 6.014 467 HD13 ILE 59 2HD1 ILE 59 7.116 -0.223 6.503 468 H PHE 60 H PHE 60 9.297 0.493 2.428 469 HA PHE 60 HA PHE 60 9.630 2.949 3.681 470 HB2 PHE 60 2HB PHE 60 11.471 1.364 3.200 471 HB3 PHE 60 1HB PHE 60 11.362 1.781 1.490 472 HD1 PHE 60 2HD PHE 60 12.291 2.992 4.847 473 HD2 PHE 60 1HD PHE 60 12.104 3.948 0.664 474 HE1 PHE 60 2HE PHE 60 13.748 4.962 5.232 475 HE2 PHE 60 1HE PHE 60 13.562 5.918 1.049 476 HZ PHE 60 HZ PHE 60 14.383 6.425 3.333 477 H ARG 61 H ARG 61 8.740 2.219 0.387 478 HA ARG 61 HA ARG 61 9.349 4.600 -0.911 479 HB2 ARG 61 2HB ARG 61 8.404 2.509 -1.955 480 HB3 ARG 61 1HB ARG 61 6.822 2.995 -1.340 481 HG2 ARG 61 2HG ARG 61 6.875 5.041 -2.626 482 HG3 ARG 61 1HG ARG 61 8.547 4.750 -3.109 483 HD2 ARG 61 2HD ARG 61 6.303 2.835 -3.769 484 HD3 ARG 61 1HD ARG 61 6.775 4.150 -4.841 485 HE ARG 61 HE ARG 61 9.121 2.819 -4.302 486 HH11 ARG 61 1HH2 ARG 61 5.989 1.994 -5.520 487 HH12 ARG 61 2HH2 ARG 61 6.566 0.707 -6.525 488 HH21 ARG 61 1HH1 ARG 61 9.886 1.132 -5.617 489 HH22 ARG 61 2HH1 ARG 61 8.771 0.218 -6.580 490 H LEU 62 H LEU 62 6.541 3.790 1.098 491 HA LEU 62 HA LEU 62 4.944 6.005 0.675 492 HB2 LEU 62 2HB LEU 62 4.455 3.997 2.155 493 HB3 LEU 62 1HB LEU 62 5.432 4.778 3.394 494 HG LEU 62 HG LEU 62 3.870 6.855 2.944 495 HD11 LEU 62 1HD1 LEU 62 2.661 6.008 1.020 496 HD12 LEU 62 2HD1 LEU 62 1.539 6.091 2.374 497 HD13 LEU 62 3HD1 LEU 62 2.217 4.539 1.889 498 HD21 LEU 62 3HD2 LEU 62 2.269 5.993 4.639 499 HD22 LEU 62 1HD2 LEU 62 3.940 5.626 5.066 500 HD23 LEU 62 2HD2 LEU 62 2.905 4.368 4.391 501 H ASP 63 H ASP 63 7.559 5.671 3.078 502 HA ASP 63 HA ASP 63 8.776 7.243 4.230 503 HB2 ASP 63 2HB ASP 63 9.553 7.807 1.977 504 HB3 ASP 63 1HB ASP 63 8.169 8.877 1.755 505 H GLU 64 H GLU 64 6.724 9.605 2.594 506 HA GLU 64 HA GLU 64 5.097 10.041 4.978 507 HB2 GLU 64 2HB GLU 64 6.985 12.154 3.904 508 HB3 GLU 64 1HB GLU 64 5.704 12.453 5.079 509 HG2 GLU 64 2HG GLU 64 6.785 10.615 6.500 510 HG3 GLU 64 1HG GLU 64 8.166 10.733 5.412 511 H ALA 65 H ALA 65 5.549 9.997 1.677 512 HA ALA 65 HA ALA 65 4.317 10.708 -0.136 513 HB1 ALA 65 1HB ALA 65 2.745 9.162 1.105 514 HB2 ALA 65 2HB ALA 65 1.958 10.350 0.067 515 HB3 ALA 65 3HB ALA 65 2.007 10.599 1.812 516 H LEU 66 H LEU 66 5.166 12.739 2.087 517 HA LEU 66 HA LEU 66 3.266 14.858 1.961 518 HB2 LEU 66 2HB LEU 66 5.256 14.439 3.625 519 HB3 LEU 66 1HB LEU 66 6.201 15.330 2.437 520 HG LEU 66 HG LEU 66 3.676 16.317 3.803 521 HD11 LEU 66 1HD1 LEU 66 5.182 17.901 4.916 522 HD12 LEU 66 2HD1 LEU 66 6.563 17.216 4.058 523 HD13 LEU 66 3HD1 LEU 66 5.694 16.247 5.251 524 HD21 LEU 66 3HD2 LEU 66 3.677 17.345 1.674 525 HD22 LEU 66 1HD2 LEU 66 5.437 17.460 1.628 526 HD23 LEU 66 2HD2 LEU 66 4.508 18.519 2.689 527 H ARG 67 H ARG 67 6.555 14.757 0.568 528 HA ARG 67 HA ARG 67 5.895 16.801 -1.355 529 HB2 ARG 67 2HB ARG 67 8.352 15.042 -1.154 530 HB3 ARG 67 1HB ARG 67 8.195 16.501 -2.133 531 HG2 ARG 67 2HG ARG 67 7.857 17.855 -0.129 532 HG3 ARG 67 1HG ARG 67 7.895 16.412 0.882 533 HD2 ARG 67 2HD ARG 67 10.176 17.426 -0.837 534 HD3 ARG 67 1HD ARG 67 10.075 17.555 0.916 535 HE ARG 67 HE ARG 67 9.790 14.847 0.250 536 HH11 ARG 67 1HH2 ARG 67 12.114 17.402 0.048 537 HH12 ARG 67 2HH2 ARG 67 13.485 16.350 0.161 538 HH21 ARG 67 1HH1 ARG 67 11.583 13.461 0.398 539 HH22 ARG 67 2HH1 ARG 67 13.184 14.120 0.359 540 H LYS 68 H LYS 68 6.731 13.341 -1.548 541 HA LYS 68 HA LYS 68 6.532 12.994 -4.296 542 HB2 LYS 68 2HB LYS 68 5.766 11.079 -2.079 543 HB3 LYS 68 1HB LYS 68 5.977 10.624 -3.771 544 HG2 LYS 68 2HG LYS 68 8.313 11.484 -3.679 545 HG3 LYS 68 1HG LYS 68 8.093 11.826 -1.962 546 HD2 LYS 68 2HD LYS 68 7.625 9.439 -1.544 547 HD3 LYS 68 1HD LYS 68 7.842 9.095 -3.261 548 HE2 LYS 68 2HE LYS 68 10.170 9.920 -3.126 549 HE3 LYS 68 1HE LYS 68 9.952 10.239 -1.405 550 HZ1 LYS 68 3HZ LYS 68 9.176 7.726 -1.484 551 HZ2 LYS 68 1HZ LYS 68 10.801 8.163 -1.270 552 HZ3 LYS 68 2HZ LYS 68 10.243 7.698 -2.805 553 H GLY 69 H GLY 69 4.020 13.413 -1.916 554 HA2 GLY 69 2HA GLY 69 1.811 12.364 -3.275 555 HA3 GLY 69 1HA GLY 69 1.745 13.691 -2.119 556 H HIS 70 H HIS 70 3.103 15.691 -3.317 557 HA HIS 70 HA HIS 70 2.598 16.110 -6.059 558 HB2 HIS 70 2HB HIS 70 0.721 17.808 -5.747 559 HB3 HIS 70 1HB HIS 70 0.261 16.111 -5.603 560 HD2 HIS 70 2HD HIS 70 1.533 18.763 -2.888 561 HE1 HIS 70 1HE HIS 70 -1.689 16.547 -1.298 562 HE2 HIS 70 2HE HIS 70 -0.009 18.389 -0.815 563 H SER 71 H SER 71 2.415 18.683 -6.414 564 HA SER 71 HA SER 71 3.595 20.651 -6.314 565 HB2 SER 71 2HB SER 71 3.601 20.071 -3.345 566 HB3 SER 71 1HB SER 71 3.886 21.636 -4.100 567 HG SER 71 HG SER 71 1.604 20.707 -3.357 568 H GLU 72 H GLU 72 5.715 21.649 -5.522 569 HA GLU 72 HA GLU 72 8.010 21.555 -5.539 570 HB2 GLU 72 2HB GLU 72 7.476 20.561 -3.270 571 HB3 GLU 72 1HB GLU 72 7.676 18.972 -4.009 572 HG2 GLU 72 2HG GLU 72 9.796 19.550 -3.045 573 HG3 GLU 72 1HG GLU 72 9.964 19.741 -4.790 574 H GLY 73 H GLY 73 7.822 21.134 -7.877 575 HA2 GLY 73 2HA GLY 73 7.857 18.559 -9.015 576 HA3 GLY 73 1HA GLY 73 8.467 20.022 -9.786 577 H GLY 74 H GLY 74 9.310 17.424 -7.537 578 HA2 GLY 74 2HA GLY 74 11.860 16.976 -8.622 579 HA3 GLY 74 1HA GLY 74 12.044 18.035 -7.227 580 H1 HOH 201 H2 HOH 77 -3.096 19.228 -3.551 581 H2 HOH 201 H1 HOH 77 -1.639 19.458 -3.897 Start of MODEL 3 1 H1 VAL 1 1H VAL 1 -3.988 15.463 -1.600 2 H2 VAL 1 2H VAL 1 -3.041 16.134 -2.841 3 HA VAL 1 HA VAL 1 -5.115 14.856 -3.521 4 HB VAL 1 HB VAL 1 -2.419 14.062 -4.662 5 HG11 VAL 1 2HG1 VAL 1 -3.752 13.898 -6.783 6 HG12 VAL 1 3HG1 VAL 1 -5.216 14.137 -5.830 7 HG13 VAL 1 1HG1 VAL 1 -4.219 12.705 -5.571 8 HG21 VAL 1 1HG2 VAL 1 -2.522 16.464 -4.546 9 HG22 VAL 1 2HG2 VAL 1 -4.196 16.476 -5.099 10 HG23 VAL 1 3HG2 VAL 1 -2.903 16.018 -6.209 11 H ASP 2 H ASP 2 -5.772 13.453 -1.767 12 HA ASP 2 HA ASP 2 -5.148 10.664 -2.315 13 HB2 ASP 2 2HB ASP 2 -4.799 11.666 0.510 14 HB3 ASP 2 1HB ASP 2 -4.376 10.086 -0.149 15 H MET 3 H MET 3 -6.638 12.683 0.232 16 HA MET 3 HA MET 3 -8.770 10.911 0.759 17 HB2 MET 3 2HB MET 3 -8.655 13.911 1.160 18 HB3 MET 3 1HB MET 3 -9.802 12.809 1.923 19 HG2 MET 3 2HG MET 3 -8.028 11.673 3.106 20 HG3 MET 3 1HG MET 3 -6.796 12.564 2.213 21 HE1 MET 3 3HE MET 3 -9.416 13.928 5.686 22 HE2 MET 3 1HE MET 3 -8.971 12.285 5.199 23 HE3 MET 3 2HE MET 3 -10.108 13.219 4.229 24 H SER 4 H SER 4 -8.422 13.600 -1.499 25 HA SER 4 HA SER 4 -11.089 13.892 -2.290 26 HB2 SER 4 2HB SER 4 -8.623 14.174 -4.021 27 HB3 SER 4 1HB SER 4 -10.206 14.878 -4.338 28 HG SER 4 HG SER 4 -8.340 16.047 -3.082 29 H ASN 5 H ASN 5 -8.603 11.622 -3.371 30 HA ASN 5 HA ASN 5 -10.553 9.711 -4.222 31 HB2 ASN 5 2HB ASN 5 -10.662 11.293 -6.132 32 HB3 ASN 5 1HB ASN 5 -8.935 11.059 -6.396 33 HD21 ASN 5 1HD2 ASN 5 -8.267 8.682 -6.784 34 HD22 ASN 5 2HD2 ASN 5 -9.354 7.701 -7.643 35 H VAL 6 H VAL 6 -9.399 8.274 -2.958 36 HA VAL 6 HA VAL 6 -6.598 7.939 -3.001 37 HB VAL 6 HB VAL 6 -7.072 5.729 -1.964 38 HG11 VAL 6 1HG1 VAL 6 -7.052 7.779 -0.593 39 HG12 VAL 6 2HG1 VAL 6 -8.251 6.635 0.011 40 HG13 VAL 6 3HG1 VAL 6 -8.764 8.031 -0.938 41 HG21 VAL 6 3HG2 VAL 6 -9.476 5.179 -1.532 42 HG22 VAL 6 1HG2 VAL 6 -9.057 5.112 -3.243 43 HG23 VAL 6 2HG2 VAL 6 -9.937 6.502 -2.605 44 H VAL 7 H VAL 7 -5.255 6.665 -4.197 45 HA VAL 7 HA VAL 7 -6.118 5.911 -6.818 46 HB VAL 7 HB VAL 7 -3.809 5.096 -7.094 47 HG11 VAL 7 1HG1 VAL 7 -4.015 7.732 -5.607 48 HG12 VAL 7 2HG1 VAL 7 -4.283 7.502 -7.335 49 HG13 VAL 7 3HG1 VAL 7 -2.678 7.248 -6.649 50 HG21 VAL 7 3HG2 VAL 7 -3.391 4.100 -4.939 51 HG22 VAL 7 1HG2 VAL 7 -3.695 5.628 -4.111 52 HG23 VAL 7 2HG2 VAL 7 -2.257 5.439 -5.114 53 H LYS 8 H LYS 8 -5.349 4.139 -3.850 54 HA LYS 8 HA LYS 8 -6.952 1.903 -4.697 55 HB2 LYS 8 2HB LYS 8 -4.607 1.678 -5.813 56 HB3 LYS 8 1HB LYS 8 -4.052 1.255 -4.197 57 HG2 LYS 8 2HG LYS 8 -4.598 -0.858 -5.003 58 HG3 LYS 8 1HG LYS 8 -6.127 -0.405 -4.254 59 HD2 LYS 8 2HD LYS 8 -6.853 -1.119 -6.361 60 HD3 LYS 8 1HD LYS 8 -6.679 0.612 -6.628 61 HE2 LYS 8 2HE LYS 8 -4.526 0.302 -7.687 62 HE3 LYS 8 1HE LYS 8 -4.497 -1.407 -7.245 63 HZ1 LYS 8 3HZ LYS 8 -6.879 -0.936 -8.596 64 HZ2 LYS 8 1HZ LYS 8 -5.547 -1.846 -9.121 65 HZ3 LYS 8 2HZ LYS 8 -5.649 -0.194 -9.504 66 H THR 9 H THR 9 -7.767 0.888 -2.949 67 HA THR 9 HA THR 9 -6.310 0.822 -0.429 68 HB THR 9 HB THR 9 -9.000 2.200 -0.584 69 HG1 THR 9 1HG THR 9 -7.715 4.039 -0.010 70 HG21 THR 9 3HG2 THR 9 -8.452 2.767 1.787 71 HG22 THR 9 1HG2 THR 9 -7.028 1.733 1.669 72 HG23 THR 9 2HG2 THR 9 -8.641 1.034 1.522 73 H TYR 10 H TYR 10 -6.478 -1.278 0.027 74 HA TYR 10 HA TYR 10 -9.033 -2.684 -0.455 75 HB2 TYR 10 2HB TYR 10 -6.369 -3.897 0.259 76 HB3 TYR 10 1HB TYR 10 -7.791 -4.722 -0.356 77 HD1 TYR 10 2HD TYR 10 -8.749 -3.513 -2.620 78 HD2 TYR 10 1HD TYR 10 -4.655 -3.574 -1.309 79 HE1 TYR 10 2HE TYR 10 -7.996 -3.129 -4.950 80 HE2 TYR 10 1HE TYR 10 -3.906 -3.192 -3.640 81 HH TYR 10 HH TYR 10 -5.283 -3.781 -6.131 82 H ASP 11 H ASP 11 -10.347 -2.911 1.234 83 HA ASP 11 HA ASP 11 -9.556 -2.269 3.898 84 HB2 ASP 11 2HB ASP 11 -12.053 -3.494 2.725 85 HB3 ASP 11 1HB ASP 11 -11.861 -3.175 4.449 86 H LEU 12 H LEU 12 -7.989 -3.604 4.695 87 HA LEU 12 HA LEU 12 -8.053 -6.455 4.430 88 HB2 LEU 12 2HB LEU 12 -6.263 -4.429 5.490 89 HB3 LEU 12 1HB LEU 12 -6.405 -5.741 6.651 90 HG LEU 12 HG LEU 12 -5.782 -7.368 4.913 91 HD11 LEU 12 1HD1 LEU 12 -5.976 -4.949 3.147 92 HD12 LEU 12 2HD1 LEU 12 -6.457 -6.615 2.826 93 HD13 LEU 12 3HD1 LEU 12 -4.758 -6.166 2.759 94 HD21 LEU 12 3HD2 LEU 12 -3.993 -4.993 5.429 95 HD22 LEU 12 1HD2 LEU 12 -3.419 -6.331 4.438 96 HD23 LEU 12 2HD2 LEU 12 -3.904 -6.618 6.109 97 H GLN 13 H GLN 13 -8.394 -8.001 6.086 98 HA GLN 13 HA GLN 13 -10.633 -7.349 7.795 99 HB2 GLN 13 2HB GLN 13 -9.065 -9.877 7.269 100 HB3 GLN 13 1HB GLN 13 -10.336 -9.794 8.493 101 HG2 GLN 13 2HG GLN 13 -11.921 -8.994 6.738 102 HG3 GLN 13 1HG GLN 13 -10.650 -9.209 5.532 103 HE21 GLN 13 1HE2 GLN 13 -10.769 -11.507 8.175 104 HE22 GLN 13 2HE2 GLN 13 -11.414 -12.798 7.273 105 H ASP 14 H ASP 14 -7.300 -7.110 8.073 106 HA ASP 14 HA ASP 14 -7.119 -7.728 10.907 107 HB2 ASP 14 2HB ASP 14 -5.218 -8.122 9.352 108 HB3 ASP 14 1HB ASP 14 -5.111 -6.381 9.089 109 H GLY 15 H GLY 15 -8.638 -5.355 9.396 110 HA2 GLY 15 2HA GLY 15 -9.533 -3.420 10.382 111 HA3 GLY 15 1HA GLY 15 -8.254 -3.462 11.594 112 H SER 16 H SER 16 -6.331 -3.926 9.234 113 HA SER 16 HA SER 16 -5.818 -1.084 8.743 114 HB2 SER 16 2HB SER 16 -4.188 -3.547 8.077 115 HB3 SER 16 1HB SER 16 -3.665 -1.879 7.842 116 HG SER 16 HG SER 16 -3.717 -3.395 10.097 117 H LYS 17 H LYS 17 -4.494 -1.163 6.350 118 HA LYS 17 HA LYS 17 -6.061 -2.430 4.295 119 HB2 LYS 17 2HB LYS 17 -6.870 -0.322 3.273 120 HB3 LYS 17 1HB LYS 17 -7.599 -0.618 4.852 121 HG2 LYS 17 2HG LYS 17 -5.714 0.831 5.819 122 HG3 LYS 17 1HG LYS 17 -5.387 1.319 4.157 123 HD2 LYS 17 2HD LYS 17 -7.661 2.164 3.910 124 HD3 LYS 17 1HD LYS 17 -8.083 1.578 5.520 125 HE2 LYS 17 2HE LYS 17 -7.616 3.896 5.803 126 HE3 LYS 17 1HE LYS 17 -6.179 3.058 6.391 127 HZ1 LYS 17 3HZ LYS 17 -4.942 3.949 4.794 128 HZ2 LYS 17 1HZ LYS 17 -6.235 5.001 4.481 129 HZ3 LYS 17 2HZ LYS 17 -6.070 3.570 3.581 130 H VAL 18 H VAL 18 -4.902 -2.571 2.430 131 HA VAL 18 HA VAL 18 -2.209 -1.439 2.464 132 HB VAL 18 HB VAL 18 -2.920 -2.926 0.020 133 HG11 VAL 18 1HG1 VAL 18 -0.914 -3.463 2.222 134 HG12 VAL 18 2HG1 VAL 18 -0.616 -2.502 0.774 135 HG13 VAL 18 3HG1 VAL 18 -0.942 -4.229 0.633 136 HG21 VAL 18 3HG2 VAL 18 -3.184 -4.379 2.669 137 HG22 VAL 18 1HG2 VAL 18 -3.212 -5.119 1.068 138 HG23 VAL 18 2HG2 VAL 18 -4.511 -4.044 1.562 139 H HIS 19 H HIS 19 -1.344 -0.319 0.623 140 HA HIS 19 HA HIS 19 -3.263 1.025 -1.151 141 HB2 HIS 19 2HB HIS 19 -3.216 2.837 0.269 142 HB3 HIS 19 1HB HIS 19 -1.768 2.266 1.090 143 HD1 HIS 19 1HD HIS 19 -2.897 4.355 -1.821 144 HD2 HIS 19 2HD HIS 19 0.676 3.231 0.013 145 HE1 HIS 19 1HE HIS 19 -1.091 5.834 -2.807 146 HE2 HIS 19 2HE HIS 19 1.095 5.162 -1.700 147 H VAL 20 H VAL 20 -2.503 0.668 -3.140 148 HA VAL 20 HA VAL 20 0.333 0.091 -3.494 149 HB VAL 20 HB VAL 20 -0.194 -1.040 -5.431 150 HG11 VAL 20 1HG1 VAL 20 -1.459 -2.281 -3.888 151 HG12 VAL 20 2HG1 VAL 20 -2.574 -2.019 -5.213 152 HG13 VAL 20 3HG1 VAL 20 -2.704 -1.053 -3.752 153 HG21 VAL 20 3HG2 VAL 20 -1.005 0.663 -6.836 154 HG22 VAL 20 1HG2 VAL 20 -2.379 1.003 -5.788 155 HG23 VAL 20 2HG2 VAL 20 -2.349 -0.473 -6.750 156 H PHE 21 H PHE 21 1.654 1.111 -5.041 157 HA PHE 21 HA PHE 21 1.072 3.971 -5.351 158 HB2 PHE 21 2HB PHE 21 3.565 2.305 -5.736 159 HB3 PHE 21 1HB PHE 21 3.477 4.018 -6.144 160 HD1 PHE 21 1HD PHE 21 3.278 1.555 -3.385 161 HD2 PHE 21 2HD PHE 21 3.403 5.718 -4.436 162 HE1 PHE 21 1HE PHE 21 3.672 2.144 -1.008 163 HE2 PHE 21 2HE PHE 21 3.797 6.306 -2.059 164 HZ PHE 21 HZ PHE 21 3.932 4.518 -0.346 165 H LYS 22 H LYS 22 2.539 4.588 -7.580 166 HA LYS 22 HA LYS 22 0.725 3.823 -9.687 167 HB2 LYS 22 2HB LYS 22 3.240 5.510 -9.726 168 HB3 LYS 22 1HB LYS 22 2.129 5.323 -11.083 169 HG2 LYS 22 2HG LYS 22 0.291 6.229 -9.700 170 HG3 LYS 22 1HG LYS 22 1.413 6.437 -8.354 171 HD2 LYS 22 2HD LYS 22 2.782 7.964 -9.745 172 HD3 LYS 22 1HD LYS 22 1.627 7.780 -11.066 173 HE2 LYS 22 2HE LYS 22 -0.162 8.695 -9.631 174 HE3 LYS 22 1HE LYS 22 0.995 8.887 -8.313 175 HZ1 LYS 22 3HZ LYS 22 2.126 10.545 -9.434 176 HZ2 LYS 22 1HZ LYS 22 0.510 10.886 -9.820 177 HZ3 LYS 22 2HZ LYS 22 1.505 10.102 -10.952 178 H ASP 23 H ASP 23 3.628 2.574 -8.434 179 HA ASP 23 HA ASP 23 4.555 1.386 -10.924 180 HB2 ASP 23 2HB ASP 23 5.488 0.976 -8.073 181 HB3 ASP 23 1HB ASP 23 6.303 0.383 -9.521 182 H GLY 24 H GLY 24 2.050 0.722 -8.919 183 HA2 GLY 24 2HA GLY 24 0.619 -1.129 -9.018 184 HA3 GLY 24 1HA GLY 24 1.889 -2.045 -9.827 185 H LYS 25 H LYS 25 3.720 -0.966 -7.569 186 HA LYS 25 HA LYS 25 3.669 -3.294 -5.945 187 HB2 LYS 25 2HB LYS 25 5.006 -0.594 -5.656 188 HB3 LYS 25 1HB LYS 25 5.256 -1.898 -4.502 189 HG2 LYS 25 2HG LYS 25 5.626 -2.482 -7.429 190 HG3 LYS 25 1HG LYS 25 6.890 -1.600 -6.580 191 HD2 LYS 25 2HD LYS 25 7.242 -3.390 -5.038 192 HD3 LYS 25 1HD LYS 25 5.768 -4.213 -5.547 193 HE2 LYS 25 2HE LYS 25 7.730 -5.299 -6.547 194 HE3 LYS 25 1HE LYS 25 6.746 -4.544 -7.801 195 HZ1 LYS 25 3HZ LYS 25 9.112 -3.272 -6.539 196 HZ2 LYS 25 1HZ LYS 25 8.219 -2.679 -7.853 197 HZ3 LYS 25 2HZ LYS 25 9.146 -4.093 -8.026 198 H MET 26 H MET 26 2.943 -3.599 -3.852 199 HA MET 26 HA MET 26 0.655 -2.039 -3.060 200 HB2 MET 26 2HB MET 26 1.908 -4.608 -2.219 201 HB3 MET 26 1HB MET 26 0.925 -3.776 -1.016 202 HG2 MET 26 2HG MET 26 -1.012 -3.893 -2.332 203 HG3 MET 26 1HG MET 26 -0.106 -4.180 -3.820 204 HE1 MET 26 3HE MET 26 -1.570 -5.865 -4.526 205 HE2 MET 26 1HE MET 26 -1.341 -7.583 -4.165 206 HE3 MET 26 2HE MET 26 -0.018 -6.639 -4.850 207 H GLY 27 H GLY 27 0.522 -1.809 -0.489 208 HA2 GLY 27 2HA GLY 27 2.965 -0.804 0.722 209 HA3 GLY 27 1HA GLY 27 1.792 0.444 0.308 210 H MET 28 H MET 28 2.744 -1.783 2.639 211 HA MET 28 HA MET 28 0.162 -2.195 3.864 212 HB2 MET 28 2HB MET 28 2.159 -3.791 3.931 213 HB3 MET 28 1HB MET 28 2.857 -2.694 5.114 214 HG2 MET 28 2HG MET 28 1.684 -4.400 6.333 215 HG3 MET 28 1HG MET 28 0.745 -2.917 6.453 216 HE1 MET 28 3HE MET 28 -1.995 -5.370 6.590 217 HE2 MET 28 1HE MET 28 -2.080 -3.611 6.438 218 HE3 MET 28 2HE MET 28 -0.815 -4.358 7.411 219 H GLU 29 H GLU 29 -0.596 -0.090 4.291 220 HA GLU 29 HA GLU 29 0.927 1.501 6.270 221 HB2 GLU 29 2HB GLU 29 0.130 2.581 4.126 222 HB3 GLU 29 1HB GLU 29 -1.520 2.332 4.698 223 HG2 GLU 29 2HG GLU 29 -0.915 3.589 6.789 224 HG3 GLU 29 1HG GLU 29 0.647 3.955 6.059 225 H ASN 30 H ASN 30 0.424 0.756 8.268 226 HA ASN 30 HA ASN 30 -2.138 -0.300 8.964 227 HB2 ASN 30 2HB ASN 30 -1.249 -0.161 11.308 228 HB3 ASN 30 1HB ASN 30 -0.211 -1.048 10.192 229 HD21 ASN 30 1HD2 ASN 30 -0.654 2.390 11.232 230 HD22 ASN 30 2HD2 ASN 30 1.013 2.713 11.343 231 H LYS 31 H LYS 31 -3.859 0.644 9.933 232 HA LYS 31 HA LYS 31 -4.369 3.360 9.584 233 HB2 LYS 31 2HB LYS 31 -6.392 3.017 10.771 234 HB3 LYS 31 1HB LYS 31 -6.050 1.487 9.965 235 HG2 LYS 31 2HG LYS 31 -5.551 2.152 12.889 236 HG3 LYS 31 1HG LYS 31 -6.733 1.017 12.244 237 HD2 LYS 31 2HD LYS 31 -4.750 -0.227 11.198 238 HD3 LYS 31 1HD LYS 31 -3.723 0.758 12.240 239 HE2 LYS 31 2HE LYS 31 -4.229 -1.373 13.340 240 HE3 LYS 31 1HE LYS 31 -4.991 -0.046 14.217 241 HZ1 LYS 31 3HZ LYS 31 -6.713 -0.974 12.183 242 HZ2 LYS 31 1HZ LYS 31 -6.970 -0.940 13.859 243 HZ3 LYS 31 2HZ LYS 31 -6.219 -2.285 13.144 244 H PHE 32 H PHE 32 -2.196 2.067 11.712 245 HA PHE 32 HA PHE 32 -2.695 3.813 13.963 246 HB2 PHE 32 2HB PHE 32 -1.495 1.463 13.879 247 HB3 PHE 32 1HB PHE 32 -0.064 2.422 13.505 248 HD1 PHE 32 1HD PHE 32 -2.667 1.718 16.027 249 HD2 PHE 32 2HD PHE 32 0.917 3.919 15.154 250 HE1 PHE 32 1HE PHE 32 -2.423 2.277 18.432 251 HE2 PHE 32 2HE PHE 32 1.159 4.479 17.558 252 HZ PHE 32 HZ PHE 32 -0.511 3.657 19.196 253 H GLY 33 H GLY 33 -1.753 4.510 10.958 254 HA2 GLY 33 2HA GLY 33 -0.841 6.441 10.069 255 HA3 GLY 33 1HA GLY 33 -0.534 7.001 11.713 256 H LYS 34 H LYS 34 0.624 3.882 10.698 257 HA LYS 34 HA LYS 34 3.347 4.928 10.236 258 HB2 LYS 34 2HB LYS 34 2.549 2.863 12.294 259 HB3 LYS 34 1HB LYS 34 4.200 3.034 11.695 260 HG2 LYS 34 2HG LYS 34 4.305 5.330 12.472 261 HG3 LYS 34 1HG LYS 34 2.601 5.298 12.920 262 HD2 LYS 34 2HD LYS 34 3.902 4.971 14.936 263 HD3 LYS 34 1HD LYS 34 3.126 3.441 14.534 264 HE2 LYS 34 2HE LYS 34 5.134 2.482 13.760 265 HE3 LYS 34 1HE LYS 34 5.916 4.051 13.556 266 HZ1 LYS 34 3HZ LYS 34 5.361 2.572 16.046 267 HZ2 LYS 34 1HZ LYS 34 5.589 4.252 16.073 268 HZ3 LYS 34 2HZ LYS 34 6.828 3.237 15.503 269 H SER 35 H SER 35 4.807 3.199 9.400 270 HA SER 35 HA SER 35 3.369 1.592 7.406 271 HB2 SER 35 2HB SER 35 6.355 1.953 7.643 272 HB3 SER 35 1HB SER 35 5.422 1.483 6.224 273 HG SER 35 HG SER 35 5.001 3.511 5.851 274 H MET 36 H MET 36 2.994 -0.501 7.751 275 HA MET 36 HA MET 36 4.443 -1.911 9.878 276 HB2 MET 36 2HB MET 36 1.840 -1.885 9.433 277 HB3 MET 36 1HB MET 36 2.225 -3.135 8.251 278 HG2 MET 36 2HG MET 36 2.937 -3.193 11.202 279 HG3 MET 36 1HG MET 36 1.670 -4.143 10.423 280 HE1 MET 36 3HE MET 36 2.880 -6.281 11.597 281 HE2 MET 36 1HE MET 36 4.047 -5.118 12.239 282 HE3 MET 36 2HE MET 36 4.608 -6.585 11.441 283 H ASN 37 H ASN 37 6.087 -3.245 9.442 284 HA ASN 37 HA ASN 37 6.834 -3.800 6.709 285 HB2 ASN 37 2HB ASN 37 8.582 -3.375 8.337 286 HB3 ASN 37 1HB ASN 37 8.016 -4.705 9.344 287 HD21 ASN 37 1HD2 ASN 37 7.661 -5.549 6.078 288 HD22 ASN 37 2HD2 ASN 37 9.100 -6.438 5.899 289 H MET 38 H MET 38 5.110 -5.065 5.910 290 HA MET 38 HA MET 38 4.571 -7.645 7.183 291 HB2 MET 38 2HB MET 38 2.638 -6.469 6.421 292 HB3 MET 38 1HB MET 38 3.331 -6.239 4.814 293 HG2 MET 38 2HG MET 38 3.156 -8.559 4.311 294 HG3 MET 38 1HG MET 38 2.906 -8.984 5.994 295 HE1 MET 38 3HE MET 38 0.863 -9.482 6.975 296 HE2 MET 38 1HE MET 38 -0.693 -8.687 6.690 297 HE3 MET 38 2HE MET 38 0.658 -7.773 7.356 298 HA PRO 39 HA PRO 39 7.886 -9.424 4.580 299 HB2 PRO 39 2HB PRO 39 6.312 -11.898 5.246 300 HB3 PRO 39 1HB PRO 39 8.069 -11.635 5.295 301 HG2 PRO 39 2HG PRO 39 6.624 -11.655 7.528 302 HG3 PRO 39 1HG PRO 39 7.980 -10.531 7.321 303 HD2 PRO 39 2HD PRO 39 5.046 -9.965 7.248 304 HD3 PRO 39 1HD PRO 39 6.384 -8.917 7.745 305 H GLU 40 H GLU 40 7.967 -10.138 2.431 306 HA GLU 40 HA GLU 40 5.607 -9.741 0.871 307 HB2 GLU 40 2HB GLU 40 6.981 -10.131 -1.033 308 HB3 GLU 40 1HB GLU 40 7.999 -9.286 0.134 309 HG2 GLU 40 2HG GLU 40 8.673 -11.709 0.901 310 HG3 GLU 40 1HG GLU 40 8.058 -12.185 -0.683 311 H GLY 41 H GLY 41 4.001 -11.147 0.742 312 HA2 GLY 41 2HA GLY 41 3.425 -13.365 -0.279 313 HA3 GLY 41 1HA GLY 41 4.598 -14.059 0.838 314 H LYS 42 H LYS 42 3.563 -11.880 2.820 315 HA LYS 42 HA LYS 42 1.803 -13.602 4.234 316 HB2 LYS 42 2HB LYS 42 2.887 -10.858 4.590 317 HB3 LYS 42 1HB LYS 42 1.365 -11.171 5.418 318 HG2 LYS 42 2HG LYS 42 3.630 -13.155 5.644 319 HG3 LYS 42 1HG LYS 42 3.642 -11.699 6.633 320 HD2 LYS 42 2HD LYS 42 1.637 -12.278 7.736 321 HD3 LYS 42 1HD LYS 42 1.209 -13.476 6.515 322 HE2 LYS 42 2HE LYS 42 3.103 -14.885 7.218 323 HE3 LYS 42 1HE LYS 42 3.558 -13.680 8.423 324 HZ1 LYS 42 3HZ LYS 42 2.273 -15.391 9.467 325 HZ2 LYS 42 1HZ LYS 42 1.026 -15.226 8.329 326 HZ3 LYS 42 2HZ LYS 42 1.345 -13.969 9.428 327 H VAL 43 H VAL 43 0.348 -14.064 2.516 328 HA VAL 43 HA VAL 43 -1.297 -12.517 1.048 329 HB VAL 43 HB VAL 43 -2.339 -14.867 2.625 330 HG11 VAL 43 1HG1 VAL 43 -4.031 -13.678 1.328 331 HG12 VAL 43 2HG1 VAL 43 -3.657 -15.204 0.525 332 HG13 VAL 43 3HG1 VAL 43 -2.992 -13.693 -0.096 333 HG21 VAL 43 3HG2 VAL 43 -1.507 -16.162 0.587 334 HG22 VAL 43 1HG2 VAL 43 -0.255 -15.592 1.690 335 HG23 VAL 43 2HG2 VAL 43 -0.558 -14.734 0.179 336 H MET 44 H MET 44 -2.808 -11.021 1.322 337 HA MET 44 HA MET 44 -3.952 -10.613 4.032 338 HB2 MET 44 2HB MET 44 -3.794 -8.567 1.824 339 HB3 MET 44 1HB MET 44 -4.167 -8.298 3.505 340 HG2 MET 44 2HG MET 44 -1.921 -8.727 4.175 341 HG3 MET 44 1HG MET 44 -1.501 -9.392 2.599 342 HE1 MET 44 3HE MET 44 -0.974 -6.586 0.268 343 HE2 MET 44 1HE MET 44 -2.601 -7.265 0.378 344 HE3 MET 44 2HE MET 44 -1.196 -8.305 0.575 345 H GLU 45 H GLU 45 -6.167 -10.569 4.222 346 HA GLU 45 HA GLU 45 -7.715 -11.206 1.765 347 HB2 GLU 45 2HB GLU 45 -7.648 -12.958 3.540 348 HB3 GLU 45 1HB GLU 45 -8.420 -11.816 4.644 349 HG2 GLU 45 2HG GLU 45 -10.381 -11.678 3.245 350 HG3 GLU 45 1HG GLU 45 -9.595 -12.606 1.965 351 H THR 46 H THR 46 -9.053 -9.695 1.042 352 HA THR 46 HA THR 46 -9.655 -7.359 2.635 353 HB THR 46 HB THR 46 -10.679 -6.484 0.664 354 HG1 THR 46 1HG THR 46 -11.813 -7.824 -0.458 355 HG21 THR 46 3HG2 THR 46 -8.410 -8.256 -0.251 356 HG22 THR 46 1HG2 THR 46 -8.180 -6.775 0.672 357 HG23 THR 46 2HG2 THR 46 -8.894 -6.707 -0.940 358 H ARG 47 H ARG 47 -12.033 -6.558 2.518 359 HA ARG 47 HA ARG 47 -13.619 -8.360 4.047 360 HB2 ARG 47 2HB ARG 47 -14.371 -5.772 2.663 361 HB3 ARG 47 1HB ARG 47 -15.373 -6.621 3.844 362 HG2 ARG 47 2HG ARG 47 -13.569 -6.401 5.524 363 HG3 ARG 47 1HG ARG 47 -12.590 -5.524 4.347 364 HD2 ARG 47 2HD ARG 47 -14.366 -3.801 4.180 365 HD3 ARG 47 1HD ARG 47 -15.298 -4.662 5.401 366 HE ARG 47 HE ARG 47 -12.745 -4.161 6.459 367 HH11 ARG 47 1HH2 ARG 47 -15.565 -2.474 5.374 368 HH12 ARG 47 2HH2 ARG 47 -15.345 -1.134 6.448 369 HH21 ARG 47 1HH1 ARG 47 -12.450 -2.406 7.868 370 HH22 ARG 47 2HH1 ARG 47 -13.581 -1.095 7.861 371 H ASP 48 H ASP 48 -13.619 -7.363 0.661 372 HA ASP 48 HA ASP 48 -16.029 -8.757 -0.023 373 HB2 ASP 48 2HB ASP 48 -13.767 -7.690 -1.728 374 HB3 ASP 48 1HB ASP 48 -15.273 -8.354 -2.368 375 H GLY 49 H GLY 49 -13.063 -9.862 0.902 376 HA2 GLY 49 2HA GLY 49 -12.283 -12.051 0.980 377 HA3 GLY 49 1HA GLY 49 -13.598 -12.527 -0.094 378 H THR 50 H THR 50 -11.273 -9.942 -0.715 379 HA THR 50 HA THR 50 -10.493 -11.266 -3.215 380 HB THR 50 HB THR 50 -9.691 -8.537 -2.185 381 HG1 THR 50 1HG THR 50 -11.982 -8.847 -2.420 382 HG21 THR 50 3HG2 THR 50 -9.795 -9.656 -4.996 383 HG22 THR 50 1HG2 THR 50 -8.326 -9.561 -4.025 384 HG23 THR 50 2HG2 THR 50 -9.161 -8.085 -4.504 385 H LYS 51 H LYS 51 -8.680 -12.417 -3.384 386 HA LYS 51 HA LYS 51 -6.788 -12.493 -1.184 387 HB2 LYS 51 2HB LYS 51 -7.483 -14.551 -2.389 388 HB3 LYS 51 1HB LYS 51 -6.700 -13.933 -3.846 389 HG2 LYS 51 2HG LYS 51 -4.540 -13.845 -2.649 390 HG3 LYS 51 1HG LYS 51 -5.321 -14.459 -1.193 391 HD2 LYS 51 2HD LYS 51 -5.208 -15.918 -3.851 392 HD3 LYS 51 1HD LYS 51 -4.161 -16.252 -2.472 393 HE2 LYS 51 2HE LYS 51 -5.821 -17.834 -2.102 394 HE3 LYS 51 1HE LYS 51 -6.505 -16.483 -1.200 395 HZ1 LYS 51 3HZ LYS 51 -7.712 -17.823 -3.236 396 HZ2 LYS 51 1HZ LYS 51 -7.160 -16.408 -3.989 397 HZ3 LYS 51 2HZ LYS 51 -8.180 -16.305 -2.632 398 H ILE 52 H ILE 52 -5.385 -10.878 -1.028 399 HA ILE 52 HA ILE 52 -3.888 -10.035 -3.453 400 HB ILE 52 HB ILE 52 -3.666 -7.814 -2.080 401 HG12 ILE 52 2HG1 ILE 52 -6.283 -8.845 -0.978 402 HG13 ILE 52 1HG1 ILE 52 -4.781 -8.917 -0.082 403 HG21 ILE 52 1HG2 ILE 52 -6.356 -8.554 -3.263 404 HG22 ILE 52 2HG2 ILE 52 -4.943 -8.100 -4.222 405 HG23 ILE 52 3HG2 ILE 52 -5.680 -6.931 -3.123 406 HD11 ILE 52 3HD1 ILE 52 -5.845 -6.890 0.601 407 HD12 ILE 52 1HD1 ILE 52 -6.242 -6.465 -1.061 408 HD13 ILE 52 2HD1 ILE 52 -4.570 -6.398 -0.508 409 H ILE 53 H ILE 53 -1.800 -10.479 -3.312 410 HA ILE 53 HA ILE 53 -0.629 -11.246 -0.742 411 HB ILE 53 HB ILE 53 0.621 -11.319 -3.491 412 HG12 ILE 53 2HG1 ILE 53 -0.796 -13.538 -1.979 413 HG13 ILE 53 1HG1 ILE 53 -1.503 -12.653 -3.334 414 HG21 ILE 53 1HG2 ILE 53 1.251 -12.751 -0.892 415 HG22 ILE 53 2HG2 ILE 53 2.193 -11.435 -1.594 416 HG23 ILE 53 3HG2 ILE 53 2.096 -12.991 -2.421 417 HD11 ILE 53 3HD1 ILE 53 -0.508 -14.753 -4.127 418 HD12 ILE 53 1HD1 ILE 53 1.044 -14.301 -3.420 419 HD13 ILE 53 2HD1 ILE 53 0.387 -13.376 -4.770 420 H MET 54 H MET 54 0.808 -10.066 0.378 421 HA MET 54 HA MET 54 1.200 -7.333 -0.151 422 HB2 MET 54 2HB MET 54 1.466 -8.444 2.089 423 HB3 MET 54 1HB MET 54 2.996 -9.112 1.517 424 HG2 MET 54 2HG MET 54 3.627 -7.128 2.649 425 HG3 MET 54 1HG MET 54 3.639 -6.674 0.957 426 HE1 MET 54 3HE MET 54 3.579 -4.093 1.864 427 HE2 MET 54 1HE MET 54 2.030 -3.424 1.327 428 HE3 MET 54 2HE MET 54 2.903 -4.562 0.306 429 H LYS 55 H LYS 55 1.784 -7.384 -2.405 430 HA LYS 55 HA LYS 55 4.227 -8.540 -3.322 431 HB2 LYS 55 2HB LYS 55 2.286 -7.968 -4.794 432 HB3 LYS 55 1HB LYS 55 2.637 -6.260 -4.528 433 HG2 LYS 55 2HG LYS 55 4.708 -6.388 -5.661 434 HG3 LYS 55 1HG LYS 55 4.757 -8.147 -5.562 435 HD2 LYS 55 2HD LYS 55 4.159 -7.351 -7.844 436 HD3 LYS 55 1HD LYS 55 2.873 -8.316 -7.118 437 HE2 LYS 55 2HE LYS 55 1.572 -6.387 -6.610 438 HE3 LYS 55 1HE LYS 55 2.928 -5.301 -6.912 439 HZ1 LYS 55 3HZ LYS 55 2.194 -7.017 -9.128 440 HZ2 LYS 55 1HZ LYS 55 2.608 -5.372 -9.118 441 HZ3 LYS 55 2HZ LYS 55 1.032 -5.852 -8.705 442 H GLY 56 H GLY 56 3.323 -5.119 -3.110 443 HA2 GLY 56 2HA GLY 56 5.983 -4.155 -3.216 444 HA3 GLY 56 1HA GLY 56 4.560 -3.224 -2.767 445 H ASN 57 H ASN 57 6.516 -5.879 -1.364 446 HA ASN 57 HA ASN 57 5.921 -5.190 1.322 447 HB2 ASN 57 2HB ASN 57 6.741 -7.410 0.770 448 HB3 ASN 57 1HB ASN 57 8.252 -6.733 0.154 449 HD21 ASN 57 1HD2 ASN 57 6.700 -5.418 3.054 450 HD22 ASN 57 2HD2 ASN 57 7.876 -5.984 4.148 451 H GLU 58 H GLU 58 7.618 -3.522 -0.962 452 HA GLU 58 HA GLU 58 9.714 -2.463 0.760 453 HB2 GLU 58 2HB GLU 58 10.132 -0.962 -1.230 454 HB3 GLU 58 1HB GLU 58 10.278 -2.687 -1.561 455 HG2 GLU 58 2HG GLU 58 8.065 -2.753 -2.539 456 HG3 GLU 58 1HG GLU 58 7.754 -1.086 -2.053 457 H ILE 59 H ILE 59 7.495 -2.016 2.114 458 HA ILE 59 HA ILE 59 5.852 0.129 1.655 459 HB ILE 59 HB ILE 59 5.936 0.462 4.182 460 HG12 ILE 59 2HG1 ILE 59 7.751 -1.962 4.018 461 HG13 ILE 59 1HG1 ILE 59 8.339 -0.327 4.338 462 HG21 ILE 59 1HG2 ILE 59 5.511 -2.297 2.999 463 HG22 ILE 59 2HG2 ILE 59 4.301 -1.024 3.172 464 HG23 ILE 59 3HG2 ILE 59 4.963 -1.814 4.603 465 HD11 ILE 59 3HD1 ILE 59 6.187 -1.657 6.002 466 HD12 ILE 59 1HD1 ILE 59 7.074 -0.178 6.372 467 HD13 ILE 59 2HD1 ILE 59 7.902 -1.735 6.406 468 H PHE 60 H PHE 60 9.237 0.204 1.919 469 HA PHE 60 HA PHE 60 9.851 2.612 3.109 470 HB2 PHE 60 2HB PHE 60 11.051 1.324 0.651 471 HB3 PHE 60 1HB PHE 60 11.755 2.723 1.460 472 HD1 PHE 60 1HD PHE 60 12.486 2.545 3.856 473 HD2 PHE 60 2HD PHE 60 11.255 -0.877 1.570 474 HE1 PHE 60 1HE PHE 60 13.561 1.048 5.517 475 HE2 PHE 60 2HE PHE 60 12.329 -2.373 3.230 476 HZ PHE 60 HZ PHE 60 13.483 -1.410 5.204 477 H ARG 61 H ARG 61 8.290 2.032 0.041 478 HA ARG 61 HA ARG 61 8.668 4.450 -1.267 479 HB2 ARG 61 2HB ARG 61 6.261 2.625 -1.180 480 HB3 ARG 61 1HB ARG 61 6.387 4.007 -2.269 481 HG2 ARG 61 2HG ARG 61 8.539 3.047 -3.139 482 HG3 ARG 61 1HG ARG 61 8.241 1.613 -2.157 483 HD2 ARG 61 2HD ARG 61 7.444 1.237 -4.443 484 HD3 ARG 61 1HD ARG 61 6.083 1.276 -3.327 485 HE ARG 61 HE ARG 61 5.316 3.146 -4.451 486 HH11 ARG 61 1HH2 ARG 61 8.698 2.688 -5.018 487 HH12 ARG 61 2HH2 ARG 61 8.823 3.980 -6.163 488 HH21 ARG 61 1HH1 ARG 61 5.471 4.843 -5.953 489 HH22 ARG 61 2HH1 ARG 61 6.996 5.200 -6.693 490 H LEU 62 H LEU 62 6.097 3.606 1.061 491 HA LEU 62 HA LEU 62 4.860 6.144 1.065 492 HB2 LEU 62 2HB LEU 62 4.137 3.787 2.071 493 HB3 LEU 62 1HB LEU 62 4.854 4.440 3.541 494 HG LEU 62 HG LEU 62 2.610 5.667 1.908 495 HD11 LEU 62 1HD1 LEU 62 2.640 4.797 4.806 496 HD12 LEU 62 2HD1 LEU 62 2.137 3.728 3.497 497 HD13 LEU 62 3HD1 LEU 62 1.240 5.212 3.817 498 HD21 LEU 62 3HD2 LEU 62 2.626 7.320 3.904 499 HD22 LEU 62 1HD2 LEU 62 3.868 7.527 2.673 500 HD23 LEU 62 2HD2 LEU 62 4.264 6.743 4.201 501 H ASP 63 H ASP 63 7.225 4.705 3.317 502 HA ASP 63 HA ASP 63 7.532 6.951 4.979 503 HB2 ASP 63 2HB ASP 63 9.587 4.835 4.298 504 HB3 ASP 63 1HB ASP 63 9.625 5.906 5.695 505 H GLU 64 H GLU 64 9.217 8.514 5.079 506 HA GLU 64 HA GLU 64 10.484 10.201 4.166 507 HB2 GLU 64 2HB GLU 64 11.489 7.933 2.430 508 HB3 GLU 64 1HB GLU 64 12.286 9.490 2.658 509 HG2 GLU 64 2HG GLU 64 11.633 7.596 4.929 510 HG3 GLU 64 1HG GLU 64 13.194 7.637 4.113 511 H ALA 65 H ALA 65 11.378 10.686 1.589 512 HA ALA 65 HA ALA 65 9.391 10.363 -0.409 513 HB1 ALA 65 1HB ALA 65 9.384 13.007 1.065 514 HB2 ALA 65 2HB ALA 65 8.059 11.845 0.989 515 HB3 ALA 65 3HB ALA 65 8.562 12.707 -0.466 516 H LEU 66 H LEU 66 10.704 10.294 -2.111 517 HA LEU 66 HA LEU 66 13.217 11.664 -2.210 518 HB2 LEU 66 2HB LEU 66 11.626 10.041 -4.194 519 HB3 LEU 66 1HB LEU 66 13.118 10.857 -4.664 520 HG LEU 66 HG LEU 66 14.383 9.640 -2.996 521 HD11 LEU 66 1HD1 LEU 66 13.112 7.808 -1.692 522 HD12 LEU 66 2HD1 LEU 66 11.648 8.697 -2.117 523 HD13 LEU 66 3HD1 LEU 66 12.904 9.472 -1.148 524 HD21 LEU 66 3HD2 LEU 66 14.014 7.308 -3.800 525 HD22 LEU 66 1HD2 LEU 66 14.022 8.477 -5.119 526 HD23 LEU 66 2HD2 LEU 66 12.493 7.825 -4.529 527 H ARG 67 H ARG 67 10.560 11.861 -4.577 528 HA ARG 67 HA ARG 67 11.348 14.381 -5.579 529 HB2 ARG 67 2HB ARG 67 8.601 13.109 -5.679 530 HB3 ARG 67 1HB ARG 67 9.205 14.385 -6.738 531 HG2 ARG 67 2HG ARG 67 11.001 12.850 -7.520 532 HG3 ARG 67 1HG ARG 67 10.314 11.571 -6.518 533 HD2 ARG 67 2HD ARG 67 8.870 13.012 -8.759 534 HD3 ARG 67 1HD ARG 67 9.538 11.384 -8.853 535 HE ARG 67 HE ARG 67 7.788 11.489 -6.652 536 HH11 ARG 67 1HH2 ARG 67 7.779 11.711 -10.106 537 HH12 ARG 67 2HH2 ARG 67 6.177 11.074 -10.280 538 HH21 ARG 67 1HH1 ARG 67 5.687 10.653 -6.873 539 HH22 ARG 67 2HH1 ARG 67 4.993 10.475 -8.450 540 H LYS 68 H LYS 68 9.378 16.119 -5.649 541 HA LYS 68 HA LYS 68 9.443 17.428 -3.168 542 HB2 LYS 68 2HB LYS 68 8.999 18.518 -5.377 543 HB3 LYS 68 1HB LYS 68 7.385 17.806 -5.355 544 HG2 LYS 68 2HG LYS 68 6.842 18.989 -3.295 545 HG3 LYS 68 1HG LYS 68 8.485 19.619 -3.189 546 HD2 LYS 68 2HD LYS 68 8.160 20.812 -5.334 547 HD3 LYS 68 1HD LYS 68 6.506 20.207 -5.410 548 HE2 LYS 68 2HE LYS 68 7.638 21.958 -3.208 549 HE3 LYS 68 1HE LYS 68 6.559 22.497 -4.494 550 HZ1 LYS 68 3HZ LYS 68 5.979 20.627 -2.280 551 HZ2 LYS 68 1HZ LYS 68 5.004 20.694 -3.667 552 HZ3 LYS 68 2HZ LYS 68 5.176 22.069 -2.682 553 H GLY 69 H GLY 69 6.488 16.181 -4.730 554 HA2 GLY 69 2HA GLY 69 5.593 14.550 -2.650 555 HA3 GLY 69 1HA GLY 69 4.972 16.168 -2.334 556 H HIS 70 H HIS 70 3.531 17.133 -3.845 557 HA HIS 70 HA HIS 70 2.625 15.756 -6.182 558 HB2 HIS 70 2HB HIS 70 0.367 15.195 -5.386 559 HB3 HIS 70 1HB HIS 70 1.592 14.299 -4.490 560 HD2 HIS 70 2HD HIS 70 1.900 17.596 -2.902 561 HE1 HIS 70 1HE HIS 70 -1.390 15.883 -0.884 562 HE2 HIS 70 2HE HIS 70 0.327 17.754 -0.823 563 H SER 71 H SER 71 0.239 16.751 -6.675 564 HA SER 71 HA SER 71 -0.847 18.652 -7.368 565 HB2 SER 71 2HB SER 71 0.170 19.823 -4.772 566 HB3 SER 71 1HB SER 71 -1.228 20.354 -5.702 567 HG SER 71 HG SER 71 -2.024 18.143 -5.366 568 H GLU 72 H GLU 72 2.094 18.268 -7.908 569 HA GLU 72 HA GLU 72 3.447 20.734 -7.848 570 HB2 GLU 72 2HB GLU 72 4.857 19.763 -9.643 571 HB3 GLU 72 1HB GLU 72 4.608 18.637 -8.308 572 HG2 GLU 72 2HG GLU 72 2.725 17.606 -9.599 573 HG3 GLU 72 1HG GLU 72 3.133 18.654 -10.956 574 H GLY 73 H GLY 73 4.188 21.672 -10.140 575 HA2 GLY 73 2HA GLY 73 2.330 21.831 -12.248 576 HA3 GLY 73 1HA GLY 73 2.022 23.160 -11.133 577 H GLY 74 H GLY 74 2.658 24.714 -12.672 578 HA2 GLY 74 2HA GLY 74 4.147 26.187 -13.627 579 HA3 GLY 74 1HA GLY 74 5.378 25.486 -12.578 580 H1 HOH 201 H2 HOH 77 0.516 12.835 -1.817 581 H2 HOH 201 H1 HOH 77 -0.341 12.191 -0.749 Start of MODEL 4 1 H1 VAL 1 1H VAL 1 -3.305 14.000 -4.851 2 H2 VAL 1 2H VAL 1 -1.621 14.079 -4.641 3 HA VAL 1 HA VAL 1 -2.293 13.551 -6.946 4 HB VAL 1 HB VAL 1 -0.845 11.273 -5.572 5 HG11 VAL 1 2HG1 VAL 1 0.481 11.349 -7.703 6 HG12 VAL 1 3HG1 VAL 1 -0.651 12.557 -8.312 7 HG13 VAL 1 1HG1 VAL 1 -1.214 10.926 -7.948 8 HG21 VAL 1 1HG2 VAL 1 0.118 14.056 -6.305 9 HG22 VAL 1 2HG2 VAL 1 1.192 12.719 -5.890 10 HG23 VAL 1 3HG2 VAL 1 0.062 13.347 -4.690 11 H ASP 2 H ASP 2 -4.722 13.179 -6.431 12 HA ASP 2 HA ASP 2 -5.370 10.480 -7.313 13 HB2 ASP 2 2HB ASP 2 -6.766 11.526 -4.853 14 HB3 ASP 2 1HB ASP 2 -6.783 9.892 -5.517 15 H MET 3 H MET 3 -6.958 10.579 -8.772 16 HA MET 3 HA MET 3 -8.236 13.092 -9.349 17 HB2 MET 3 2HB MET 3 -8.752 10.347 -10.522 18 HB3 MET 3 1HB MET 3 -9.286 11.888 -11.197 19 HG2 MET 3 2HG MET 3 -7.023 12.585 -11.609 20 HG3 MET 3 1HG MET 3 -6.376 11.227 -10.688 21 HE1 MET 3 3HE MET 3 -8.930 12.002 -13.541 22 HE2 MET 3 1HE MET 3 -8.063 11.314 -14.922 23 HE3 MET 3 2HE MET 3 -7.345 12.626 -13.994 24 H SER 4 H SER 4 -9.411 9.879 -8.332 25 HA SER 4 HA SER 4 -12.073 10.906 -7.811 26 HB2 SER 4 2HB SER 4 -10.863 8.197 -7.212 27 HB3 SER 4 1HB SER 4 -12.572 8.611 -7.108 28 HG SER 4 HG SER 4 -12.239 7.725 -9.108 29 H ASN 5 H ASN 5 -9.469 9.453 -5.848 30 HA ASN 5 HA ASN 5 -9.740 11.273 -3.708 31 HB2 ASN 5 2HB ASN 5 -10.709 9.627 -2.038 32 HB3 ASN 5 1HB ASN 5 -11.854 10.289 -3.203 33 HD21 ASN 5 1HD2 ASN 5 -11.976 7.647 -1.774 34 HD22 ASN 5 2HD2 ASN 5 -12.045 6.477 -3.001 35 H VAL 6 H VAL 6 -9.246 7.752 -4.073 36 HA VAL 6 HA VAL 6 -6.463 8.096 -3.103 37 HB VAL 6 HB VAL 6 -6.722 5.948 -1.879 38 HG11 VAL 6 1HG1 VAL 6 -8.665 8.155 -1.132 39 HG12 VAL 6 2HG1 VAL 6 -6.967 8.060 -0.668 40 HG13 VAL 6 3HG1 VAL 6 -8.120 6.883 -0.039 41 HG21 VAL 6 3HG2 VAL 6 -9.089 5.195 -1.446 42 HG22 VAL 6 1HG2 VAL 6 -8.562 4.962 -3.112 43 HG23 VAL 6 2HG2 VAL 6 -9.618 6.314 -2.702 44 H VAL 7 H VAL 7 -4.941 6.874 -4.125 45 HA VAL 7 HA VAL 7 -5.414 5.948 -6.722 46 HB VAL 7 HB VAL 7 -3.170 4.921 -6.560 47 HG11 VAL 7 1HG1 VAL 7 -1.965 6.978 -6.161 48 HG12 VAL 7 2HG1 VAL 7 -3.273 7.606 -5.156 49 HG13 VAL 7 3HG1 VAL 7 -3.514 7.400 -6.891 50 HG21 VAL 7 3HG2 VAL 7 -1.973 5.283 -4.331 51 HG22 VAL 7 1HG2 VAL 7 -3.186 4.002 -4.346 52 HG23 VAL 7 2HG2 VAL 7 -3.566 5.569 -3.628 53 H LYS 8 H LYS 8 -5.282 4.204 -3.644 54 HA LYS 8 HA LYS 8 -7.016 2.144 -4.552 55 HB2 LYS 8 2HB LYS 8 -4.843 1.555 -5.740 56 HB3 LYS 8 1HB LYS 8 -4.156 1.259 -4.147 57 HG2 LYS 8 2HG LYS 8 -4.908 -0.886 -4.634 58 HG3 LYS 8 1HG LYS 8 -6.347 -0.244 -3.850 59 HD2 LYS 8 2HD LYS 8 -7.101 -1.282 -5.874 60 HD3 LYS 8 1HD LYS 8 -7.178 0.453 -6.149 61 HE2 LYS 8 2HE LYS 8 -4.604 -0.857 -6.914 62 HE3 LYS 8 1HE LYS 8 -6.008 -1.257 -7.903 63 HZ1 LYS 8 3HZ LYS 8 -5.420 0.630 -8.941 64 HZ2 LYS 8 1HZ LYS 8 -4.621 1.276 -7.592 65 HZ3 LYS 8 2HZ LYS 8 -6.313 1.363 -7.695 66 H THR 9 H THR 9 -7.796 0.947 -2.853 67 HA THR 9 HA THR 9 -6.380 0.882 -0.315 68 HB THR 9 HB THR 9 -9.122 2.144 -0.423 69 HG1 THR 9 1HG THR 9 -7.774 3.613 -1.328 70 HG21 THR 9 3HG2 THR 9 -8.410 0.968 1.672 71 HG22 THR 9 1HG2 THR 9 -8.661 2.699 1.894 72 HG23 THR 9 2HG2 THR 9 -7.025 2.056 1.761 73 H TYR 10 H TYR 10 -6.501 -1.233 0.107 74 HA TYR 10 HA TYR 10 -9.041 -2.675 -0.391 75 HB2 TYR 10 2HB TYR 10 -6.319 -3.835 0.255 76 HB3 TYR 10 1HB TYR 10 -7.750 -4.717 -0.248 77 HD1 TYR 10 2HD TYR 10 -8.835 -3.399 -2.533 78 HD2 TYR 10 1HD TYR 10 -4.692 -3.798 -1.428 79 HE1 TYR 10 2HE TYR 10 -8.171 -3.125 -4.897 80 HE2 TYR 10 1HE TYR 10 -4.042 -3.527 -3.798 81 HH TYR 10 HH TYR 10 -5.865 -3.991 -6.271 82 H ASP 11 H ASP 11 -10.323 -3.031 1.294 83 HA ASP 11 HA ASP 11 -9.480 -2.413 3.968 84 HB2 ASP 11 2HB ASP 11 -12.034 -3.509 2.800 85 HB3 ASP 11 1HB ASP 11 -11.809 -3.245 4.529 86 H LEU 12 H LEU 12 -7.946 -3.824 4.700 87 HA LEU 12 HA LEU 12 -8.079 -6.657 4.377 88 HB2 LEU 12 2HB LEU 12 -6.307 -4.693 5.611 89 HB3 LEU 12 1HB LEU 12 -6.473 -6.106 6.646 90 HG LEU 12 HG LEU 12 -5.749 -7.580 4.858 91 HD11 LEU 12 1HD1 LEU 12 -6.216 -5.172 3.160 92 HD12 LEU 12 2HD1 LEU 12 -6.448 -6.880 2.790 93 HD13 LEU 12 3HD1 LEU 12 -4.836 -6.185 2.725 94 HD21 LEU 12 3HD2 LEU 12 -3.457 -6.366 4.322 95 HD22 LEU 12 1HD2 LEU 12 -3.847 -6.824 5.978 96 HD23 LEU 12 2HD2 LEU 12 -4.059 -5.156 5.448 97 H GLN 13 H GLN 13 -8.243 -8.191 6.206 98 HA GLN 13 HA GLN 13 -10.677 -7.692 7.678 99 HB2 GLN 13 2HB GLN 13 -10.388 -10.004 8.475 100 HB3 GLN 13 1HB GLN 13 -10.215 -9.908 6.719 101 HG2 GLN 13 2HG GLN 13 -7.729 -9.769 7.036 102 HG3 GLN 13 1HG GLN 13 -7.977 -10.057 8.759 103 HE21 GLN 13 1HE2 GLN 13 -10.184 -11.968 8.418 104 HE22 GLN 13 2HE2 GLN 13 -9.503 -13.389 7.772 105 H ASP 14 H ASP 14 -7.317 -7.334 8.250 106 HA ASP 14 HA ASP 14 -7.492 -7.538 11.144 107 HB2 ASP 14 2HB ASP 14 -5.439 -8.178 9.870 108 HB3 ASP 14 1HB ASP 14 -5.230 -6.481 9.438 109 H GLY 15 H GLY 15 -8.955 -5.459 9.368 110 HA2 GLY 15 2HA GLY 15 -9.778 -3.343 9.819 111 HA3 GLY 15 1HA GLY 15 -8.757 -3.298 11.257 112 H SER 16 H SER 16 -6.569 -4.136 9.127 113 HA SER 16 HA SER 16 -5.509 -1.481 8.835 114 HB2 SER 16 2HB SER 16 -4.154 -3.604 9.184 115 HB3 SER 16 1HB SER 16 -4.495 -3.994 7.499 116 HG SER 16 HG SER 16 -2.517 -2.646 8.201 117 H LYS 17 H LYS 17 -4.443 -1.112 6.497 118 HA LYS 17 HA LYS 17 -6.296 -1.731 4.325 119 HB2 LYS 17 2HB LYS 17 -5.830 1.083 5.338 120 HB3 LYS 17 1HB LYS 17 -6.497 0.717 3.747 121 HG2 LYS 17 2HG LYS 17 -8.284 -0.644 4.915 122 HG3 LYS 17 1HG LYS 17 -7.685 0.008 6.439 123 HD2 LYS 17 2HD LYS 17 -8.062 2.311 5.563 124 HD3 LYS 17 1HD LYS 17 -8.765 1.610 4.104 125 HE2 LYS 17 2HE LYS 17 -10.519 2.241 5.733 126 HE3 LYS 17 1HE LYS 17 -10.495 0.499 5.455 127 HZ1 LYS 17 3HZ LYS 17 -10.244 1.822 7.874 128 HZ2 LYS 17 1HZ LYS 17 -8.710 1.181 7.537 129 HZ3 LYS 17 2HZ LYS 17 -10.066 0.157 7.585 130 H VAL 18 H VAL 18 -5.109 -2.148 2.572 131 HA VAL 18 HA VAL 18 -2.299 -1.399 2.532 132 HB VAL 18 HB VAL 18 -3.513 -2.695 0.133 133 HG11 VAL 18 1HG1 VAL 18 -1.102 -2.387 0.287 134 HG12 VAL 18 2HG1 VAL 18 -1.484 -4.107 0.344 135 HG13 VAL 18 3HG1 VAL 18 -1.065 -3.249 1.826 136 HG21 VAL 18 3HG2 VAL 18 -3.226 -4.189 2.754 137 HG22 VAL 18 1HG2 VAL 18 -3.638 -4.898 1.190 138 HG23 VAL 18 2HG2 VAL 18 -4.757 -3.790 1.979 139 H HIS 19 H HIS 19 -1.321 -0.287 0.747 140 HA HIS 19 HA HIS 19 -3.075 1.324 -0.978 141 HB2 HIS 19 2HB HIS 19 -2.846 3.048 0.543 142 HB3 HIS 19 1HB HIS 19 -1.421 2.335 1.287 143 HD1 HIS 19 1HD HIS 19 -2.476 4.574 -1.550 144 HD2 HIS 19 2HD HIS 19 1.052 3.184 0.187 145 HE1 HIS 19 1HE HIS 19 -0.597 5.947 -2.549 146 HE2 HIS 19 2HE HIS 19 1.560 5.112 -1.501 147 H VAL 20 H VAL 20 -2.355 0.984 -2.971 148 HA VAL 20 HA VAL 20 0.455 0.220 -3.365 149 HB VAL 20 HB VAL 20 -0.222 -1.009 -5.194 150 HG11 VAL 20 1HG1 VAL 20 -2.351 -2.071 -4.738 151 HG12 VAL 20 2HG1 VAL 20 -2.878 -0.670 -3.807 152 HG13 VAL 20 3HG1 VAL 20 -1.593 -1.677 -3.200 153 HG21 VAL 20 3HG2 VAL 20 -0.976 0.712 -6.662 154 HG22 VAL 20 1HG2 VAL 20 -2.331 1.121 -5.609 155 HG23 VAL 20 2HG2 VAL 20 -2.340 -0.394 -6.512 156 H PHE 21 H PHE 21 1.758 1.166 -4.964 157 HA PHE 21 HA PHE 21 1.227 4.025 -5.357 158 HB2 PHE 21 2HB PHE 21 3.719 2.397 -5.911 159 HB3 PHE 21 1HB PHE 21 3.592 4.155 -5.934 160 HD1 PHE 21 1HD PHE 21 3.471 1.146 -3.785 161 HD2 PHE 21 2HD PHE 21 3.506 5.441 -3.893 162 HE1 PHE 21 1HE PHE 21 3.869 1.205 -1.338 163 HE2 PHE 21 2HE PHE 21 3.904 5.498 -1.444 164 HZ PHE 21 HZ PHE 21 4.084 3.380 -0.168 165 H LYS 22 H LYS 22 2.515 4.715 -7.551 166 HA LYS 22 HA LYS 22 0.785 3.887 -9.667 167 HB2 LYS 22 2HB LYS 22 1.805 6.170 -9.453 168 HB3 LYS 22 1HB LYS 22 3.361 5.459 -9.883 169 HG2 LYS 22 2HG LYS 22 2.469 4.702 -12.026 170 HG3 LYS 22 1HG LYS 22 0.864 5.298 -11.597 171 HD2 LYS 22 2HD LYS 22 1.729 7.595 -11.477 172 HD3 LYS 22 1HD LYS 22 3.348 7.015 -11.871 173 HE2 LYS 22 2HE LYS 22 2.256 7.884 -13.889 174 HE3 LYS 22 1HE LYS 22 2.492 6.142 -14.031 175 HZ1 LYS 22 3HZ LYS 22 0.189 7.245 -14.549 176 HZ2 LYS 22 1HZ LYS 22 -0.015 7.115 -12.870 177 HZ3 LYS 22 2HZ LYS 22 0.281 5.723 -13.799 178 H ASP 23 H ASP 23 3.804 2.767 -8.453 179 HA ASP 23 HA ASP 23 4.696 1.511 -10.891 180 HB2 ASP 23 2HB ASP 23 5.554 1.067 -8.021 181 HB3 ASP 23 1HB ASP 23 6.389 0.456 -9.451 182 H GLY 24 H GLY 24 2.150 0.908 -8.931 183 HA2 GLY 24 2HA GLY 24 0.658 -0.879 -9.030 184 HA3 GLY 24 1HA GLY 24 1.872 -1.819 -9.893 185 H LYS 25 H LYS 25 3.739 -0.826 -7.553 186 HA LYS 25 HA LYS 25 3.613 -3.249 -6.053 187 HB2 LYS 25 2HB LYS 25 5.059 -0.622 -5.676 188 HB3 LYS 25 1HB LYS 25 5.191 -1.925 -4.500 189 HG2 LYS 25 2HG LYS 25 5.911 -3.454 -6.360 190 HG3 LYS 25 1HG LYS 25 5.932 -2.054 -7.433 191 HD2 LYS 25 2HD LYS 25 7.523 -0.947 -5.811 192 HD3 LYS 25 1HD LYS 25 7.620 -2.486 -4.958 193 HE2 LYS 25 2HE LYS 25 8.508 -3.594 -6.911 194 HE3 LYS 25 1HE LYS 25 8.231 -2.165 -7.906 195 HZ1 LYS 25 3HZ LYS 25 10.521 -2.767 -6.546 196 HZ2 LYS 25 1HZ LYS 25 9.785 -1.578 -5.587 197 HZ3 LYS 25 2HZ LYS 25 10.121 -1.260 -7.222 198 H MET 26 H MET 26 2.827 -3.632 -3.985 199 HA MET 26 HA MET 26 0.597 -2.006 -3.191 200 HB2 MET 26 2HB MET 26 1.491 -4.721 -2.772 201 HB3 MET 26 1HB MET 26 1.108 -4.002 -1.211 202 HG2 MET 26 2HG MET 26 -1.115 -3.494 -1.889 203 HG3 MET 26 1HG MET 26 -0.761 -3.817 -3.586 204 HE1 MET 26 3HE MET 26 -1.589 -5.704 -4.661 205 HE2 MET 26 1HE MET 26 -1.262 -7.373 -4.173 206 HE3 MET 26 2HE MET 26 0.073 -6.254 -4.443 207 H GLY 27 H GLY 27 0.497 -2.043 -0.509 208 HA2 GLY 27 2HA GLY 27 2.945 -1.121 0.711 209 HA3 GLY 27 1HA GLY 27 1.826 0.193 0.355 210 H MET 28 H MET 28 2.788 -1.823 2.737 211 HA MET 28 HA MET 28 0.182 -2.373 3.912 212 HB2 MET 28 2HB MET 28 2.247 -3.901 4.019 213 HB3 MET 28 1HB MET 28 2.872 -2.775 5.217 214 HG2 MET 28 2HG MET 28 1.730 -4.556 6.384 215 HG3 MET 28 1HG MET 28 0.770 -3.091 6.530 216 HE1 MET 28 3HE MET 28 -0.824 -4.519 7.433 217 HE2 MET 28 1HE MET 28 -2.033 -5.465 6.558 218 HE3 MET 28 2HE MET 28 -2.024 -3.709 6.428 219 H GLU 29 H GLU 29 -0.598 -0.238 4.243 220 HA GLU 29 HA GLU 29 0.831 1.358 6.296 221 HB2 GLU 29 2HB GLU 29 -1.472 2.291 4.582 222 HB3 GLU 29 1HB GLU 29 -0.302 3.267 5.471 223 HG2 GLU 29 2HG GLU 29 1.501 2.331 3.990 224 HG3 GLU 29 1HG GLU 29 0.243 1.549 3.037 225 H ASN 30 H ASN 30 0.137 0.665 8.251 226 HA ASN 30 HA ASN 30 -2.462 -0.352 8.771 227 HB2 ASN 30 2HB ASN 30 -1.825 -0.336 11.090 228 HB3 ASN 30 1HB ASN 30 -0.415 -0.817 10.146 229 HD21 ASN 30 1HD2 ASN 30 -0.382 2.243 9.299 230 HD22 ASN 30 2HD2 ASN 30 0.457 2.957 10.596 231 H LYS 31 H LYS 31 -3.672 0.749 10.771 232 HA LYS 31 HA LYS 31 -4.675 3.253 9.729 233 HB2 LYS 31 2HB LYS 31 -6.310 3.076 11.584 234 HB3 LYS 31 1HB LYS 31 -6.245 1.618 10.594 235 HG2 LYS 31 2HG LYS 31 -6.061 0.549 12.624 236 HG3 LYS 31 1HG LYS 31 -4.360 0.984 12.482 237 HD2 LYS 31 2HD LYS 31 -4.723 2.987 13.834 238 HD3 LYS 31 1HD LYS 31 -6.458 2.680 13.879 239 HE2 LYS 31 2HE LYS 31 -4.363 0.782 14.969 240 HE3 LYS 31 1HE LYS 31 -5.273 1.928 15.952 241 HZ1 LYS 31 3HZ LYS 31 -7.081 0.518 14.355 242 HZ2 LYS 31 1HZ LYS 31 -6.927 0.484 16.043 243 HZ3 LYS 31 2HZ LYS 31 -6.052 -0.618 15.088 244 H PHE 32 H PHE 32 -2.212 2.389 11.866 245 HA PHE 32 HA PHE 32 -2.480 4.641 13.661 246 HB2 PHE 32 2HB PHE 32 -1.302 2.268 13.988 247 HB3 PHE 32 1HB PHE 32 0.104 3.136 13.377 248 HD1 PHE 32 1HD PHE 32 -2.348 2.873 16.110 249 HD2 PHE 32 2HD PHE 32 1.091 4.988 14.645 250 HE1 PHE 32 1HE PHE 32 -2.018 3.887 18.350 251 HE2 PHE 32 2HE PHE 32 1.421 6.002 16.885 252 HZ PHE 32 HZ PHE 32 -0.132 5.452 18.737 253 H GLY 33 H GLY 33 -1.963 4.733 10.554 254 HA2 GLY 33 2HA GLY 33 -1.062 6.328 9.153 255 HA3 GLY 33 1HA GLY 33 -0.561 7.220 10.589 256 H LYS 34 H LYS 34 0.584 4.138 10.909 257 HA LYS 34 HA LYS 34 3.273 4.915 9.958 258 HB2 LYS 34 2HB LYS 34 2.444 2.712 11.864 259 HB3 LYS 34 1HB LYS 34 4.098 3.173 11.470 260 HG2 LYS 34 2HG LYS 34 2.155 5.209 12.568 261 HG3 LYS 34 1HG LYS 34 3.027 4.127 13.649 262 HD2 LYS 34 2HD LYS 34 5.175 4.906 12.572 263 HD3 LYS 34 1HD LYS 34 4.229 6.113 11.701 264 HE2 LYS 34 2HE LYS 34 3.417 7.015 13.862 265 HE3 LYS 34 1HE LYS 34 4.413 5.835 14.713 266 HZ1 LYS 34 3HZ LYS 34 5.448 8.062 14.465 267 HZ2 LYS 34 1HZ LYS 34 5.488 7.818 12.786 268 HZ3 LYS 34 2HZ LYS 34 6.375 6.795 13.813 269 H SER 35 H SER 35 4.580 2.716 9.514 270 HA SER 35 HA SER 35 3.040 1.222 7.456 271 HB2 SER 35 2HB SER 35 6.023 1.666 7.429 272 HB3 SER 35 1HB SER 35 4.984 1.130 6.113 273 HG SER 35 HG SER 35 3.975 3.391 6.870 274 H MET 36 H MET 36 2.736 -0.845 7.950 275 HA MET 36 HA MET 36 4.389 -2.130 10.003 276 HB2 MET 36 2HB MET 36 1.813 -2.879 8.615 277 HB3 MET 36 1HB MET 36 2.686 -4.009 9.652 278 HG2 MET 36 2HG MET 36 1.872 -1.235 10.554 279 HG3 MET 36 1HG MET 36 0.872 -2.666 10.816 280 HE1 MET 36 3HE MET 36 0.908 -2.004 13.317 281 HE2 MET 36 1HE MET 36 2.052 -0.678 13.073 282 HE3 MET 36 2HE MET 36 2.348 -1.882 14.324 283 H ASN 37 H ASN 37 6.170 -3.161 9.402 284 HA ASN 37 HA ASN 37 6.788 -3.849 6.722 285 HB2 ASN 37 2HB ASN 37 8.551 -3.399 8.326 286 HB3 ASN 37 1HB ASN 37 8.029 -4.750 9.329 287 HD21 ASN 37 1HD2 ASN 37 7.640 -5.566 6.058 288 HD22 ASN 37 2HD2 ASN 37 9.096 -6.424 5.848 289 H MET 38 H MET 38 5.174 -5.168 5.871 290 HA MET 38 HA MET 38 4.699 -7.781 7.135 291 HB2 MET 38 2HB MET 38 2.704 -6.621 6.484 292 HB3 MET 38 1HB MET 38 3.323 -6.358 4.850 293 HG2 MET 38 2HG MET 38 3.237 -8.708 4.366 294 HG3 MET 38 1HG MET 38 2.951 -9.106 6.052 295 HE1 MET 38 3HE MET 38 0.854 -7.937 7.361 296 HE2 MET 38 1HE MET 38 0.716 -9.650 6.937 297 HE3 MET 38 2HE MET 38 -0.660 -8.571 6.717 298 HA PRO 39 HA PRO 39 7.960 -9.422 4.394 299 HB2 PRO 39 2HB PRO 39 6.345 -11.913 4.880 300 HB3 PRO 39 1HB PRO 39 8.108 -11.686 4.930 301 HG2 PRO 39 2HG PRO 39 6.676 -11.837 7.172 302 HG3 PRO 39 1HG PRO 39 8.060 -10.736 7.033 303 HD2 PRO 39 2HD PRO 39 5.146 -10.088 7.058 304 HD3 PRO 39 1HD PRO 39 6.525 -9.102 7.574 305 H GLU 40 H GLU 40 8.053 -10.257 2.236 306 HA GLU 40 HA GLU 40 5.729 -9.638 0.638 307 HB2 GLU 40 2HB GLU 40 7.969 -9.035 -0.151 308 HB3 GLU 40 1HB GLU 40 8.443 -10.735 -0.129 309 HG2 GLU 40 2HG GLU 40 6.872 -11.284 -1.855 310 HG3 GLU 40 1HG GLU 40 6.114 -9.693 -1.754 311 H GLY 41 H GLY 41 4.224 -11.233 1.312 312 HA2 GLY 41 2HA GLY 41 3.692 -13.360 -0.211 313 HA3 GLY 41 1HA GLY 41 4.871 -14.054 0.899 314 H LYS 42 H LYS 42 3.564 -11.849 2.809 315 HA LYS 42 HA LYS 42 1.889 -13.736 4.174 316 HB2 LYS 42 2HB LYS 42 2.874 -10.972 4.645 317 HB3 LYS 42 1HB LYS 42 1.384 -11.404 5.474 318 HG2 LYS 42 2HG LYS 42 3.710 -13.319 5.585 319 HG3 LYS 42 1HG LYS 42 3.756 -11.878 6.594 320 HD2 LYS 42 2HD LYS 42 1.815 -12.487 7.785 321 HD3 LYS 42 1HD LYS 42 1.330 -13.667 6.565 322 HE2 LYS 42 2HE LYS 42 3.281 -15.068 7.145 323 HE3 LYS 42 1HE LYS 42 3.760 -13.893 8.368 324 HZ1 LYS 42 3HZ LYS 42 1.127 -15.259 8.343 325 HZ2 LYS 42 1HZ LYS 42 1.777 -14.301 9.583 326 HZ3 LYS 42 2HZ LYS 42 2.466 -15.813 9.231 327 H VAL 43 H VAL 43 0.441 -14.172 2.466 328 HA VAL 43 HA VAL 43 -1.213 -12.676 0.982 329 HB VAL 43 HB VAL 43 -2.314 -14.925 2.662 330 HG11 VAL 43 1HG1 VAL 43 -3.765 -15.302 0.821 331 HG12 VAL 43 2HG1 VAL 43 -2.798 -14.293 -0.251 332 HG13 VAL 43 3HG1 VAL 43 -3.752 -13.550 1.030 333 HG21 VAL 43 3HG2 VAL 43 -1.421 -16.350 0.702 334 HG22 VAL 43 1HG2 VAL 43 -0.247 -15.806 1.898 335 HG23 VAL 43 2HG2 VAL 43 -0.372 -14.980 0.347 336 H MET 44 H MET 44 -2.727 -11.147 1.228 337 HA MET 44 HA MET 44 -3.888 -10.708 3.931 338 HB2 MET 44 2HB MET 44 -3.669 -8.646 1.744 339 HB3 MET 44 1HB MET 44 -4.045 -8.390 3.433 340 HG2 MET 44 2HG MET 44 -1.798 -8.881 4.089 341 HG3 MET 44 1HG MET 44 -1.393 -9.502 2.490 342 HE1 MET 44 3HE MET 44 -1.495 -8.367 0.463 343 HE2 MET 44 1HE MET 44 -0.940 -6.708 0.206 344 HE3 MET 44 2HE MET 44 -2.652 -7.040 0.414 345 H GLU 45 H GLU 45 -6.094 -10.794 4.072 346 HA GLU 45 HA GLU 45 -7.603 -11.190 1.542 347 HB2 GLU 45 2HB GLU 45 -7.420 -13.125 3.185 348 HB3 GLU 45 1HB GLU 45 -8.410 -12.158 4.283 349 HG2 GLU 45 2HG GLU 45 -9.967 -13.492 3.107 350 HG3 GLU 45 1HG GLU 45 -10.055 -11.922 2.312 351 H THR 46 H THR 46 -8.985 -9.644 1.022 352 HA THR 46 HA THR 46 -9.639 -7.538 2.877 353 HB THR 46 HB THR 46 -10.726 -6.485 1.044 354 HG1 THR 46 1HG THR 46 -11.935 -8.334 0.412 355 HG21 THR 46 3HG2 THR 46 -9.031 -6.618 -0.713 356 HG22 THR 46 1HG2 THR 46 -8.461 -8.157 -0.069 357 HG23 THR 46 2HG2 THR 46 -8.261 -6.683 0.874 358 H ARG 47 H ARG 47 -12.003 -6.825 3.028 359 HA ARG 47 HA ARG 47 -13.476 -8.845 4.368 360 HB2 ARG 47 2HB ARG 47 -14.327 -6.120 3.361 361 HB3 ARG 47 1HB ARG 47 -15.289 -7.139 4.435 362 HG2 ARG 47 2HG ARG 47 -13.493 -7.101 6.110 363 HG3 ARG 47 1HG ARG 47 -12.493 -6.125 5.033 364 HD2 ARG 47 2HD ARG 47 -14.263 -4.364 5.054 365 HD3 ARG 47 1HD ARG 47 -15.163 -5.325 6.224 366 HE ARG 47 HE ARG 47 -12.881 -3.677 6.773 367 HH11 ARG 47 1HH2 ARG 47 -14.553 -6.581 7.637 368 HH12 ARG 47 2HH2 ARG 47 -13.966 -6.598 9.266 369 HH21 ARG 47 1HH1 ARG 47 -12.107 -3.693 8.908 370 HH22 ARG 47 2HH1 ARG 47 -12.581 -4.962 9.986 371 H ASP 48 H ASP 48 -13.681 -7.450 1.128 372 HA ASP 48 HA ASP 48 -16.102 -8.779 0.397 373 HB2 ASP 48 2HB ASP 48 -13.900 -7.629 -1.334 374 HB3 ASP 48 1HB ASP 48 -15.496 -8.120 -1.903 375 H GLY 49 H GLY 49 -13.139 -10.014 1.118 376 HA2 GLY 49 2HA GLY 49 -12.393 -12.208 0.950 377 HA3 GLY 49 1HA GLY 49 -13.744 -12.554 -0.129 378 H THR 50 H THR 50 -11.265 -10.036 -0.461 379 HA THR 50 HA THR 50 -10.566 -11.133 -3.114 380 HB THR 50 HB THR 50 -9.789 -8.449 -1.966 381 HG1 THR 50 1HG THR 50 -11.819 -8.002 -2.177 382 HG21 THR 50 3HG2 THR 50 -9.976 -9.545 -4.783 383 HG22 THR 50 1HG2 THR 50 -8.488 -9.223 -3.892 384 HG23 THR 50 2HG2 THR 50 -9.540 -7.887 -4.361 385 H LYS 51 H LYS 51 -8.781 -12.306 -3.276 386 HA LYS 51 HA LYS 51 -6.844 -12.389 -1.127 387 HB2 LYS 51 2HB LYS 51 -7.464 -14.456 -2.243 388 HB3 LYS 51 1HB LYS 51 -6.958 -13.800 -3.802 389 HG2 LYS 51 2HG LYS 51 -4.665 -13.774 -3.165 390 HG3 LYS 51 1HG LYS 51 -5.056 -14.011 -1.461 391 HD2 LYS 51 2HD LYS 51 -5.707 -16.272 -1.814 392 HD3 LYS 51 1HD LYS 51 -5.780 -16.060 -3.563 393 HE2 LYS 51 2HE LYS 51 -3.344 -15.724 -3.637 394 HE3 LYS 51 1HE LYS 51 -3.258 -15.911 -1.885 395 HZ1 LYS 51 3HZ LYS 51 -4.459 -18.134 -2.375 396 HZ2 LYS 51 1HZ LYS 51 -2.784 -18.020 -2.618 397 HZ3 LYS 51 2HZ LYS 51 -3.841 -17.929 -3.944 398 H ILE 52 H ILE 52 -5.429 -10.762 -0.968 399 HA ILE 52 HA ILE 52 -3.947 -9.937 -3.406 400 HB ILE 52 HB ILE 52 -3.702 -7.692 -2.064 401 HG12 ILE 52 2HG1 ILE 52 -6.365 -8.647 -0.995 402 HG13 ILE 52 1HG1 ILE 52 -4.888 -8.716 -0.059 403 HG21 ILE 52 1HG2 ILE 52 -6.354 -8.439 -3.313 404 HG22 ILE 52 2HG2 ILE 52 -4.912 -7.966 -4.217 405 HG23 ILE 52 3HG2 ILE 52 -5.702 -6.810 -3.141 406 HD11 ILE 52 3HD1 ILE 52 -6.255 -6.265 -1.168 407 HD12 ILE 52 1HD1 ILE 52 -4.612 -6.225 -0.533 408 HD13 ILE 52 2HD1 ILE 52 -5.952 -6.652 0.525 409 H ILE 53 H ILE 53 -1.851 -10.300 -3.277 410 HA ILE 53 HA ILE 53 -0.665 -11.148 -0.744 411 HB ILE 53 HB ILE 53 0.806 -10.960 -3.369 412 HG12 ILE 53 2HG1 ILE 53 -1.274 -12.016 -3.968 413 HG13 ILE 53 1HG1 ILE 53 -0.050 -13.280 -3.838 414 HG21 ILE 53 1HG2 ILE 53 1.911 -12.986 -2.460 415 HG22 ILE 53 2HG2 ILE 53 0.895 -12.885 -1.022 416 HG23 ILE 53 3HG2 ILE 53 2.066 -11.612 -1.366 417 HD11 ILE 53 3HD1 ILE 53 -2.320 -12.641 -1.964 418 HD12 ILE 53 1HD1 ILE 53 -0.893 -13.488 -1.368 419 HD13 ILE 53 2HD1 ILE 53 -1.860 -14.194 -2.659 420 H MET 54 H MET 54 1.071 -10.172 0.252 421 HA MET 54 HA MET 54 1.287 -7.332 -0.034 422 HB2 MET 54 2HB MET 54 1.630 -8.571 2.126 423 HB3 MET 54 1HB MET 54 3.147 -9.191 1.469 424 HG2 MET 54 2HG MET 54 3.746 -7.254 2.728 425 HG3 MET 54 1HG MET 54 3.799 -6.755 1.049 426 HE1 MET 54 3HE MET 54 2.118 -3.547 1.341 427 HE2 MET 54 1HE MET 54 2.903 -4.721 0.278 428 HE3 MET 54 2HE MET 54 3.694 -4.209 1.768 429 H LYS 55 H LYS 55 1.779 -7.321 -2.323 430 HA LYS 55 HA LYS 55 4.224 -8.375 -3.353 431 HB2 LYS 55 2HB LYS 55 2.121 -7.778 -4.660 432 HB3 LYS 55 1HB LYS 55 2.626 -6.093 -4.517 433 HG2 LYS 55 2HG LYS 55 4.805 -6.690 -5.554 434 HG3 LYS 55 1HG LYS 55 4.228 -8.338 -5.782 435 HD2 LYS 55 2HD LYS 55 2.645 -6.001 -6.859 436 HD3 LYS 55 1HD LYS 55 4.014 -6.642 -7.762 437 HE2 LYS 55 2HE LYS 55 1.576 -8.213 -6.870 438 HE3 LYS 55 1HE LYS 55 1.952 -7.719 -8.518 439 HZ1 LYS 55 3HZ LYS 55 4.149 -8.978 -8.072 440 HZ2 LYS 55 1HZ LYS 55 2.751 -9.855 -8.461 441 HZ3 LYS 55 2HZ LYS 55 3.264 -9.750 -6.844 442 H GLY 56 H GLY 56 3.205 -4.995 -2.925 443 HA2 GLY 56 2HA GLY 56 5.830 -3.944 -3.209 444 HA3 GLY 56 1HA GLY 56 4.411 -3.067 -2.652 445 H ASN 57 H ASN 57 6.122 -5.890 -1.279 446 HA ASN 57 HA ASN 57 5.806 -5.162 1.389 447 HB2 ASN 57 2HB ASN 57 6.577 -7.384 0.758 448 HB3 ASN 57 1HB ASN 57 8.072 -6.707 0.105 449 HD21 ASN 57 1HD2 ASN 57 6.677 -5.375 3.058 450 HD22 ASN 57 2HD2 ASN 57 7.862 -5.996 4.111 451 H GLU 58 H GLU 58 7.644 -3.648 -1.002 452 HA GLU 58 HA GLU 58 9.734 -2.606 0.694 453 HB2 GLU 58 2HB GLU 58 8.825 -1.716 -2.055 454 HB3 GLU 58 1HB GLU 58 10.329 -1.254 -1.258 455 HG2 GLU 58 2HG GLU 58 9.618 -4.152 -1.735 456 HG3 GLU 58 1HG GLU 58 10.449 -3.191 -2.954 457 H ILE 59 H ILE 59 7.515 -2.075 2.071 458 HA ILE 59 HA ILE 59 6.017 0.189 1.595 459 HB ILE 59 HB ILE 59 5.954 0.435 4.102 460 HG12 ILE 59 2HG1 ILE 59 7.756 -2.004 4.030 461 HG13 ILE 59 1HG1 ILE 59 8.334 -0.376 4.399 462 HG21 ILE 59 1HG2 ILE 59 4.846 -1.740 4.451 463 HG22 ILE 59 2HG2 ILE 59 5.606 -2.365 2.988 464 HG23 ILE 59 3HG2 ILE 59 4.418 -1.067 2.878 465 HD11 ILE 59 3HD1 ILE 59 7.786 -1.744 6.440 466 HD12 ILE 59 1HD1 ILE 59 6.102 -1.755 5.916 467 HD13 ILE 59 2HD1 ILE 59 6.885 -0.231 6.333 468 H PHE 60 H PHE 60 9.373 0.000 1.940 469 HA PHE 60 HA PHE 60 10.152 2.288 3.262 470 HB2 PHE 60 2HB PHE 60 11.687 0.593 2.262 471 HB3 PHE 60 1HB PHE 60 11.352 1.283 0.673 472 HD1 PHE 60 1HD PHE 60 12.923 1.875 3.960 473 HD2 PHE 60 2HD PHE 60 12.208 3.465 0.034 474 HE1 PHE 60 1HE PHE 60 14.636 3.624 4.357 475 HE2 PHE 60 2HE PHE 60 13.921 5.214 0.431 476 HZ PHE 60 HZ PHE 60 15.136 5.294 2.592 477 H ARG 61 H ARG 61 8.615 2.000 0.138 478 HA ARG 61 HA ARG 61 9.230 4.449 -1.018 479 HB2 ARG 61 2HB ARG 61 7.893 2.548 -2.034 480 HB3 ARG 61 1HB ARG 61 6.508 3.145 -1.128 481 HG2 ARG 61 2HG ARG 61 6.210 4.269 -3.150 482 HG3 ARG 61 1HG ARG 61 7.142 5.463 -2.252 483 HD2 ARG 61 2HD ARG 61 8.020 5.125 -4.549 484 HD3 ARG 61 1HD ARG 61 9.208 4.693 -3.326 485 HE ARG 61 HE ARG 61 9.057 2.478 -4.029 486 HH11 ARG 61 1HH2 ARG 61 6.462 4.389 -5.292 487 HH12 ARG 61 2HH2 ARG 61 5.893 3.155 -6.365 488 HH21 ARG 61 1HH1 ARG 61 8.315 0.855 -5.433 489 HH22 ARG 61 2HH1 ARG 61 6.942 1.154 -6.445 490 H LEU 62 H LEU 62 6.504 3.698 1.177 491 HA LEU 62 HA LEU 62 5.525 6.353 1.262 492 HB2 LEU 62 2HB LEU 62 4.477 4.036 2.044 493 HB3 LEU 62 1HB LEU 62 5.161 4.498 3.595 494 HG LEU 62 HG LEU 62 2.892 5.305 3.534 495 HD11 LEU 62 1HD1 LEU 62 4.779 6.820 4.389 496 HD12 LEU 62 2HD1 LEU 62 3.232 7.590 4.043 497 HD13 LEU 62 3HD1 LEU 62 4.561 7.736 2.896 498 HD21 LEU 62 3HD2 LEU 62 3.014 5.377 0.858 499 HD22 LEU 62 1HD2 LEU 62 3.355 7.083 1.155 500 HD23 LEU 62 2HD2 LEU 62 1.864 6.363 1.751 501 H ASP 63 H ASP 63 7.552 4.525 3.559 502 HA ASP 63 HA ASP 63 8.117 6.947 5.089 503 HB2 ASP 63 2HB ASP 63 9.425 5.427 6.532 504 HB3 ASP 63 1HB ASP 63 7.776 4.851 6.294 505 H GLU 64 H GLU 64 9.410 8.299 3.930 506 HA GLU 64 HA GLU 64 12.180 7.695 3.735 507 HB2 GLU 64 2HB GLU 64 12.457 7.716 1.322 508 HB3 GLU 64 1HB GLU 64 11.361 6.406 1.766 509 HG2 GLU 64 2HG GLU 64 9.445 8.017 1.331 510 HG3 GLU 64 1HG GLU 64 10.632 9.110 0.624 511 H ALA 65 H ALA 65 9.497 9.686 2.571 512 HA ALA 65 HA ALA 65 11.153 12.017 2.169 513 HB1 ALA 65 1HB ALA 65 9.094 13.152 1.627 514 HB2 ALA 65 2HB ALA 65 8.138 11.862 2.355 515 HB3 ALA 65 3HB ALA 65 9.051 11.555 0.878 516 H LEU 66 H LEU 66 9.053 13.795 3.327 517 HA LEU 66 HA LEU 66 8.878 13.414 6.119 518 HB2 LEU 66 2HB LEU 66 10.516 15.197 6.809 519 HB3 LEU 66 1HB LEU 66 11.241 13.700 6.239 520 HG LEU 66 HG LEU 66 11.217 14.972 3.882 521 HD11 LEU 66 1HD1 LEU 66 11.156 17.210 5.927 522 HD12 LEU 66 2HD1 LEU 66 10.125 17.013 4.511 523 HD13 LEU 66 3HD1 LEU 66 11.827 17.404 4.309 524 HD21 LEU 66 3HD2 LEU 66 13.253 14.171 4.922 525 HD22 LEU 66 1HD2 LEU 66 13.196 15.460 6.125 526 HD23 LEU 66 2HD2 LEU 66 13.511 15.846 4.433 527 H ARG 67 H ARG 67 8.579 15.269 3.276 528 HA ARG 67 HA ARG 67 7.431 17.613 4.514 529 HB2 ARG 67 2HB ARG 67 8.636 17.518 2.252 530 HB3 ARG 67 1HB ARG 67 7.161 16.795 1.621 531 HG2 ARG 67 2HG ARG 67 6.737 19.048 1.202 532 HG3 ARG 67 1HG ARG 67 5.994 18.872 2.788 533 HD2 ARG 67 2HD ARG 67 8.003 19.765 3.863 534 HD3 ARG 67 1HD ARG 67 8.828 19.845 2.310 535 HE ARG 67 HE ARG 67 6.893 21.725 3.325 536 HH11 ARG 67 1HH2 ARG 67 8.296 20.275 0.513 537 HH12 ARG 67 2HH2 ARG 67 7.939 21.616 -0.524 538 HH21 ARG 67 1HH1 ARG 67 6.423 23.487 1.972 539 HH22 ARG 67 2HH1 ARG 67 6.880 23.433 0.301 540 H LYS 68 H LYS 68 6.152 14.955 2.504 541 HA LYS 68 HA LYS 68 3.650 14.989 4.000 542 HB2 LYS 68 2HB LYS 68 3.759 15.609 1.037 543 HB3 LYS 68 1HB LYS 68 2.288 15.208 1.923 544 HG2 LYS 68 2HG LYS 68 2.887 17.144 3.495 545 HG3 LYS 68 1HG LYS 68 4.073 17.622 2.279 546 HD2 LYS 68 2HD LYS 68 2.281 17.741 0.581 547 HD3 LYS 68 1HD LYS 68 1.095 17.290 1.806 548 HE2 LYS 68 2HE LYS 68 1.503 19.306 3.056 549 HE3 LYS 68 1HE LYS 68 2.897 19.711 2.053 550 HZ1 LYS 68 3HZ LYS 68 0.114 20.174 1.575 551 HZ2 LYS 68 1HZ LYS 68 0.863 19.393 0.269 552 HZ3 LYS 68 2HZ LYS 68 1.471 20.876 0.832 553 H GLY 69 H GLY 69 2.103 13.313 2.847 554 HA2 GLY 69 2HA GLY 69 3.572 10.828 2.782 555 HA3 GLY 69 1HA GLY 69 1.825 11.016 2.653 556 H HIS 70 H HIS 70 2.380 13.084 0.463 557 HA HIS 70 HA HIS 70 3.543 11.605 -1.710 558 HB2 HIS 70 2HB HIS 70 1.504 11.297 -3.017 559 HB3 HIS 70 1HB HIS 70 1.371 10.435 -1.483 560 HD2 HIS 70 2HD HIS 70 0.264 12.706 0.509 561 HE1 HIS 70 1HE HIS 70 -2.632 13.565 -2.439 562 HE2 HIS 70 2HE HIS 70 -2.023 13.861 0.009 563 H SER 71 H SER 71 2.143 12.824 -3.810 564 HA SER 71 HA SER 71 2.149 14.758 -5.049 565 HB2 SER 71 2HB SER 71 1.751 16.211 -2.434 566 HB3 SER 71 1HB SER 71 1.234 16.712 -4.041 567 HG SER 71 HG SER 71 -0.325 15.192 -4.021 568 H GLU 72 H GLU 72 4.474 14.291 -5.349 569 HA GLU 72 HA GLU 72 6.043 16.626 -4.885 570 HB2 GLU 72 2HB GLU 72 6.171 15.508 -2.633 571 HB3 GLU 72 1HB GLU 72 6.969 14.148 -3.420 572 HG2 GLU 72 2HG GLU 72 8.769 15.604 -4.197 573 HG3 GLU 72 1HG GLU 72 7.953 17.013 -3.520 574 H GLY 73 H GLY 73 5.889 13.224 -5.766 575 HA2 GLY 73 2HA GLY 73 6.865 12.036 -7.476 576 HA3 GLY 73 1HA GLY 73 7.062 13.583 -8.292 577 H GLY 74 H GLY 74 8.576 11.185 -6.269 578 HA2 GLY 74 2HA GLY 74 11.182 11.752 -7.168 579 HA3 GLY 74 1HA GLY 74 10.957 12.520 -5.599 580 H1 HOH 201 H2 HOH 77 -2.761 9.632 -2.275 581 H2 HOH 201 H1 HOH 77 -3.458 10.613 -1.356 Start of MODEL 5 1 H1 VAL 1 1H VAL 1 2.496 11.967 -5.203 2 H2 VAL 1 2H VAL 1 3.858 12.910 -4.849 3 HA VAL 1 HA VAL 1 2.336 14.106 -6.268 4 HB VAL 1 HB VAL 1 4.635 14.700 -6.496 5 HG11 VAL 1 2HG1 VAL 1 6.061 12.937 -6.790 6 HG12 VAL 1 3HG1 VAL 1 5.848 13.255 -8.505 7 HG13 VAL 1 1HG1 VAL 1 4.894 12.004 -7.715 8 HG21 VAL 1 1HG2 VAL 1 4.097 14.296 -9.409 9 HG22 VAL 1 2HG2 VAL 1 4.467 15.771 -8.528 10 HG23 VAL 1 3HG2 VAL 1 2.830 15.121 -8.497 11 H ASP 2 H ASP 2 3.801 12.598 -8.988 12 HA ASP 2 HA ASP 2 2.927 11.499 -10.801 13 HB2 ASP 2 2HB ASP 2 0.866 10.314 -8.951 14 HB3 ASP 2 1HB ASP 2 1.609 9.593 -10.379 15 H MET 3 H MET 3 1.553 12.050 -12.405 16 HA MET 3 HA MET 3 -0.411 14.102 -11.880 17 HB2 MET 3 2HB MET 3 0.321 12.665 -14.445 18 HB3 MET 3 1HB MET 3 -0.721 14.086 -14.329 19 HG2 MET 3 2HG MET 3 1.152 15.352 -13.299 20 HG3 MET 3 1HG MET 3 2.192 13.939 -13.495 21 HE1 MET 3 3HE MET 3 3.997 15.341 -15.008 22 HE2 MET 3 1HE MET 3 2.948 16.627 -14.395 23 HE3 MET 3 2HE MET 3 3.400 16.591 -16.097 24 H SER 4 H SER 4 -0.514 10.812 -13.260 25 HA SER 4 HA SER 4 -3.200 10.524 -13.720 26 HB2 SER 4 2HB SER 4 -2.847 8.087 -13.083 27 HB3 SER 4 1HB SER 4 -1.751 8.729 -14.302 28 HG SER 4 HG SER 4 -0.139 8.693 -12.891 29 H ASN 5 H ASN 5 -1.567 10.701 -10.648 30 HA ASN 5 HA ASN 5 -2.334 10.715 -8.482 31 HB2 ASN 5 2HB ASN 5 -4.910 11.525 -9.850 32 HB3 ASN 5 1HB ASN 5 -4.564 11.700 -8.130 33 HD21 ASN 5 1HD2 ASN 5 -2.053 12.751 -7.998 34 HD22 ASN 5 2HD2 ASN 5 -1.945 14.208 -8.862 35 H VAL 6 H VAL 6 -2.286 8.196 -9.698 36 HA VAL 6 HA VAL 6 -4.643 6.697 -9.538 37 HB VAL 6 HB VAL 6 -3.115 4.743 -9.191 38 HG11 VAL 6 1HG1 VAL 6 -2.100 6.683 -11.285 39 HG12 VAL 6 2HG1 VAL 6 -3.613 5.788 -11.443 40 HG13 VAL 6 3HG1 VAL 6 -2.079 4.921 -11.361 41 HG21 VAL 6 3HG2 VAL 6 -1.434 5.809 -7.784 42 HG22 VAL 6 1HG2 VAL 6 -1.042 6.956 -9.064 43 HG23 VAL 6 2HG2 VAL 6 -0.661 5.247 -9.266 44 H VAL 7 H VAL 7 -5.343 5.188 -7.893 45 HA VAL 7 HA VAL 7 -4.369 5.586 -5.169 46 HB VAL 7 HB VAL 7 -6.647 6.126 -4.326 47 HG11 VAL 7 1HG1 VAL 7 -5.768 8.155 -6.391 48 HG12 VAL 7 2HG1 VAL 7 -4.855 7.863 -4.909 49 HG13 VAL 7 3HG1 VAL 7 -6.515 8.456 -4.821 50 HG21 VAL 7 3HG2 VAL 7 -7.234 6.438 -7.288 51 HG22 VAL 7 1HG2 VAL 7 -8.308 6.960 -5.990 52 HG23 VAL 7 2HG2 VAL 7 -7.952 5.245 -6.204 53 H LYS 8 H LYS 8 -5.188 4.024 -3.682 54 HA LYS 8 HA LYS 8 -6.937 1.913 -4.553 55 HB2 LYS 8 2HB LYS 8 -4.727 1.375 -5.684 56 HB3 LYS 8 1HB LYS 8 -4.043 1.185 -4.074 57 HG2 LYS 8 2HG LYS 8 -4.712 -1.000 -4.224 58 HG3 LYS 8 1HG LYS 8 -6.332 -0.390 -3.900 59 HD2 LYS 8 2HD LYS 8 -5.140 -0.702 -6.676 60 HD3 LYS 8 1HD LYS 8 -6.225 -1.865 -5.915 61 HE2 LYS 8 2HE LYS 8 -7.876 0.058 -5.627 62 HE3 LYS 8 1HE LYS 8 -6.834 0.991 -6.704 63 HZ1 LYS 8 3HZ LYS 8 -8.804 -0.762 -7.450 64 HZ2 LYS 8 1HZ LYS 8 -7.363 -1.606 -7.742 65 HZ3 LYS 8 2HZ LYS 8 -7.617 -0.086 -8.458 66 H THR 9 H THR 9 -7.670 0.689 -2.830 67 HA THR 9 HA THR 9 -6.316 0.820 -0.255 68 HB THR 9 HB THR 9 -9.123 1.914 -0.536 69 HG1 THR 9 1HG THR 9 -7.489 3.716 0.392 70 HG21 THR 9 3HG2 THR 9 -8.769 2.558 1.826 71 HG22 THR 9 1HG2 THR 9 -7.189 1.775 1.795 72 HG23 THR 9 2HG2 THR 9 -8.654 0.811 1.610 73 H TYR 10 H TYR 10 -6.290 -1.274 0.237 74 HA TYR 10 HA TYR 10 -8.664 -2.945 -0.308 75 HB2 TYR 10 2HB TYR 10 -5.771 -3.594 0.272 76 HB3 TYR 10 1HB TYR 10 -7.031 -4.816 0.294 77 HD1 TYR 10 2HD TYR 10 -8.689 -4.649 -1.858 78 HD2 TYR 10 1HD TYR 10 -4.588 -3.362 -1.739 79 HE1 TYR 10 2HE TYR 10 -8.555 -4.842 -4.322 80 HE2 TYR 10 1HE TYR 10 -4.460 -3.558 -4.206 81 HH TYR 10 HH TYR 10 -7.322 -4.363 -6.139 82 H ASP 11 H ASP 11 -10.058 -2.776 1.369 83 HA ASP 11 HA ASP 11 -9.285 -2.243 4.044 84 HB2 ASP 11 2HB ASP 11 -11.851 -3.301 2.863 85 HB3 ASP 11 1HB ASP 11 -11.641 -2.907 4.569 86 H LEU 12 H LEU 12 -7.688 -3.797 4.508 87 HA LEU 12 HA LEU 12 -8.001 -6.587 4.389 88 HB2 LEU 12 2HB LEU 12 -6.172 -4.659 5.645 89 HB3 LEU 12 1HB LEU 12 -6.349 -6.123 6.605 90 HG LEU 12 HG LEU 12 -5.622 -7.514 4.783 91 HD11 LEU 12 1HD1 LEU 12 -6.422 -6.805 2.751 92 HD12 LEU 12 2HD1 LEU 12 -4.830 -6.077 2.633 93 HD13 LEU 12 3HD1 LEU 12 -6.208 -5.097 3.133 94 HD21 LEU 12 3HD2 LEU 12 -3.378 -6.358 4.207 95 HD22 LEU 12 1HD2 LEU 12 -3.739 -6.624 5.911 96 HD23 LEU 12 2HD2 LEU 12 -3.953 -5.025 5.199 97 H GLN 13 H GLN 13 -8.285 -8.082 6.183 98 HA GLN 13 HA GLN 13 -10.652 -7.427 7.696 99 HB2 GLN 13 2HB GLN 13 -10.483 -9.752 8.506 100 HB3 GLN 13 1HB GLN 13 -10.358 -9.668 6.746 101 HG2 GLN 13 2HG GLN 13 -7.861 -9.686 6.981 102 HG3 GLN 13 1HG GLN 13 -8.069 -9.943 8.715 103 HE21 GLN 13 1HE2 GLN 13 -10.110 -11.381 6.153 104 HE22 GLN 13 2HE2 GLN 13 -9.659 -12.989 6.481 105 H ASP 14 H ASP 14 -7.268 -7.293 8.229 106 HA ASP 14 HA ASP 14 -7.388 -7.517 11.112 107 HB2 ASP 14 2HB ASP 14 -5.380 -8.157 9.758 108 HB3 ASP 14 1HB ASP 14 -5.144 -6.448 9.390 109 H GLY 15 H GLY 15 -8.764 -5.324 9.324 110 HA2 GLY 15 2HA GLY 15 -9.566 -3.219 9.892 111 HA3 GLY 15 1HA GLY 15 -8.507 -3.230 11.301 112 H SER 16 H SER 16 -6.366 -4.049 9.138 113 HA SER 16 HA SER 16 -5.291 -1.401 8.853 114 HB2 SER 16 2HB SER 16 -3.528 -2.637 7.492 115 HB3 SER 16 1HB SER 16 -3.711 -3.150 9.169 116 HG SER 16 HG SER 16 -3.746 -4.993 7.980 117 H LYS 17 H LYS 17 -4.253 -1.026 6.497 118 HA LYS 17 HA LYS 17 -6.154 -1.601 4.354 119 HB2 LYS 17 2HB LYS 17 -5.613 1.203 5.360 120 HB3 LYS 17 1HB LYS 17 -6.343 0.845 3.795 121 HG2 LYS 17 2HG LYS 17 -8.102 -0.493 5.040 122 HG3 LYS 17 1HG LYS 17 -7.441 0.171 6.533 123 HD2 LYS 17 2HD LYS 17 -7.850 2.461 5.690 124 HD3 LYS 17 1HD LYS 17 -8.541 1.784 4.214 125 HE2 LYS 17 2HE LYS 17 -9.592 1.219 7.002 126 HE3 LYS 17 1HE LYS 17 -10.275 2.423 5.908 127 HZ1 LYS 17 3HZ LYS 17 -11.524 0.458 5.629 128 HZ2 LYS 17 1HZ LYS 17 -10.136 -0.510 5.513 129 HZ3 LYS 17 2HZ LYS 17 -10.520 0.572 4.262 130 H VAL 18 H VAL 18 -4.989 -2.075 2.611 131 HA VAL 18 HA VAL 18 -2.174 -1.396 2.502 132 HB VAL 18 HB VAL 18 -3.649 -2.625 0.192 133 HG11 VAL 18 1HG1 VAL 18 -1.566 -3.849 -0.078 134 HG12 VAL 18 2HG1 VAL 18 -0.961 -3.214 1.451 135 HG13 VAL 18 3HG1 VAL 18 -1.208 -2.129 0.083 136 HG21 VAL 18 3HG2 VAL 18 -3.501 -4.831 1.216 137 HG22 VAL 18 1HG2 VAL 18 -4.504 -3.785 2.219 138 HG23 VAL 18 2HG2 VAL 18 -2.840 -4.128 2.695 139 H HIS 19 H HIS 19 -1.184 -0.266 0.739 140 HA HIS 19 HA HIS 19 -2.910 1.447 -0.912 141 HB2 HIS 19 2HB HIS 19 -2.603 3.105 0.664 142 HB3 HIS 19 1HB HIS 19 -1.170 2.338 1.336 143 HD1 HIS 19 1HD HIS 19 -2.246 4.552 -1.547 144 HD2 HIS 19 2HD HIS 19 1.259 3.303 0.337 145 HE1 HIS 19 1HE HIS 19 -0.374 5.951 -2.521 146 HE2 HIS 19 2HE HIS 19 1.771 5.204 -1.383 147 H VAL 20 H VAL 20 -2.227 1.110 -2.948 148 HA VAL 20 HA VAL 20 0.520 0.231 -3.393 149 HB VAL 20 HB VAL 20 -0.140 -0.652 -5.438 150 HG11 VAL 20 1HG1 VAL 20 -2.518 -0.695 -3.585 151 HG12 VAL 20 2HG1 VAL 20 -1.412 -1.990 -4.002 152 HG13 VAL 20 3HG1 VAL 20 -2.611 -1.460 -5.166 153 HG21 VAL 20 3HG2 VAL 20 -2.301 0.168 -6.586 154 HG22 VAL 20 1HG2 VAL 20 -0.899 1.238 -6.614 155 HG23 VAL 20 2HG2 VAL 20 -2.211 1.538 -5.476 156 H PHE 21 H PHE 21 1.857 1.159 -5.042 157 HA PHE 21 HA PHE 21 1.581 4.095 -5.159 158 HB2 PHE 21 2HB PHE 21 3.954 2.284 -5.676 159 HB3 PHE 21 1HB PHE 21 3.982 4.045 -5.768 160 HD1 PHE 21 2HD PHE 21 3.623 5.422 -3.737 161 HD2 PHE 21 1HD PHE 21 3.888 1.138 -3.551 162 HE1 PHE 21 2HE PHE 21 3.975 5.551 -1.287 163 HE2 PHE 21 1HE PHE 21 4.241 1.267 -1.100 164 HZ PHE 21 HZ PHE 21 4.286 3.473 0.033 165 H LYS 22 H LYS 22 3.276 4.535 -7.345 166 HA LYS 22 HA LYS 22 1.422 4.194 -9.512 167 HB2 LYS 22 2HB LYS 22 2.822 6.219 -9.260 168 HB3 LYS 22 1HB LYS 22 4.261 5.243 -9.550 169 HG2 LYS 22 2HG LYS 22 3.476 4.657 -11.777 170 HG3 LYS 22 1HG LYS 22 1.943 5.482 -11.491 171 HD2 LYS 22 2HD LYS 22 3.124 7.626 -11.257 172 HD3 LYS 22 1HD LYS 22 4.669 6.812 -11.508 173 HE2 LYS 22 2HE LYS 22 2.393 6.828 -13.513 174 HE3 LYS 22 1HE LYS 22 3.800 7.890 -13.588 175 HZ1 LYS 22 3HZ LYS 22 3.844 4.922 -13.660 176 HZ2 LYS 22 1HZ LYS 22 5.215 5.918 -13.673 177 HZ3 LYS 22 2HZ LYS 22 4.125 5.959 -14.975 178 H ASP 23 H ASP 23 4.349 2.607 -8.441 179 HA ASP 23 HA ASP 23 4.787 1.182 -10.909 180 HB2 ASP 23 2HB ASP 23 6.623 1.713 -9.320 181 HB3 ASP 23 1HB ASP 23 5.888 0.622 -8.145 182 H GLY 24 H GLY 24 2.200 1.000 -9.202 183 HA2 GLY 24 2HA GLY 24 0.571 -0.603 -8.917 184 HA3 GLY 24 1HA GLY 24 1.578 -1.696 -9.863 185 H LYS 25 H LYS 25 3.676 -0.788 -7.631 186 HA LYS 25 HA LYS 25 3.569 -3.201 -6.138 187 HB2 LYS 25 2HB LYS 25 5.039 -0.583 -5.788 188 HB3 LYS 25 1HB LYS 25 5.247 -1.918 -4.667 189 HG2 LYS 25 2HG LYS 25 5.527 -2.462 -7.609 190 HG3 LYS 25 1HG LYS 25 6.853 -1.663 -6.771 191 HD2 LYS 25 2HD LYS 25 7.156 -3.501 -5.285 192 HD3 LYS 25 1HD LYS 25 5.619 -4.229 -5.746 193 HE2 LYS 25 2HE LYS 25 6.478 -4.622 -8.023 194 HE3 LYS 25 1HE LYS 25 8.016 -3.886 -7.571 195 HZ1 LYS 25 3HZ LYS 25 8.472 -6.076 -7.207 196 HZ2 LYS 25 1HZ LYS 25 6.881 -6.465 -6.766 197 HZ3 LYS 25 2HZ LYS 25 7.890 -5.650 -5.669 198 H MET 26 H MET 26 2.869 -3.595 -4.055 199 HA MET 26 HA MET 26 0.699 -1.962 -3.103 200 HB2 MET 26 2HB MET 26 1.725 -4.677 -2.556 201 HB3 MET 26 1HB MET 26 1.004 -3.881 -1.163 202 HG2 MET 26 2HG MET 26 -1.059 -3.532 -2.336 203 HG3 MET 26 1HG MET 26 -0.349 -4.057 -3.863 204 HE1 MET 26 3HE MET 26 -1.969 -7.306 -3.952 205 HE2 MET 26 1HE MET 26 -0.514 -6.603 -4.678 206 HE3 MET 26 2HE MET 26 -1.965 -5.619 -4.465 207 H GLY 27 H GLY 27 0.583 -1.819 -0.580 208 HA2 GLY 27 2HA GLY 27 3.099 -1.041 0.681 209 HA3 GLY 27 1HA GLY 27 1.946 0.265 0.404 210 H MET 28 H MET 28 2.984 -1.693 2.750 211 HA MET 28 HA MET 28 0.376 -2.440 3.854 212 HB2 MET 28 2HB MET 28 2.402 -3.958 3.880 213 HB3 MET 28 1HB MET 28 3.105 -2.865 5.064 214 HG2 MET 28 2HG MET 28 2.009 -4.655 6.258 215 HG3 MET 28 1HG MET 28 1.074 -3.187 6.486 216 HE1 MET 28 3HE MET 28 -0.631 -4.511 7.407 217 HE2 MET 28 1HE MET 28 -1.978 -5.197 6.488 218 HE3 MET 28 2HE MET 28 -1.630 -3.473 6.392 219 H GLU 29 H GLU 29 -0.408 -0.292 4.243 220 HA GLU 29 HA GLU 29 0.870 1.104 6.534 221 HB2 GLU 29 2HB GLU 29 0.617 2.442 4.448 222 HB3 GLU 29 1HB GLU 29 -1.125 2.180 4.524 223 HG2 GLU 29 2HG GLU 29 -1.243 3.304 6.684 224 HG3 GLU 29 1HG GLU 29 0.510 3.481 6.718 225 H ASN 30 H ASN 30 -0.065 0.413 8.381 226 HA ASN 30 HA ASN 30 -2.607 -0.759 8.568 227 HB2 ASN 30 2HB ASN 30 -2.233 -0.886 10.861 228 HB3 ASN 30 1HB ASN 30 -0.591 -0.758 10.239 229 HD21 ASN 30 1HD2 ASN 30 -1.160 2.228 9.626 230 HD22 ASN 30 2HD2 ASN 30 -1.012 2.978 11.146 231 H LYS 31 H LYS 31 -3.940 0.491 10.648 232 HA LYS 31 HA LYS 31 -5.287 2.602 9.199 233 HB2 LYS 31 2HB LYS 31 -7.026 2.414 10.765 234 HB3 LYS 31 1HB LYS 31 -6.436 0.772 10.572 235 HG2 LYS 31 2HG LYS 31 -5.666 2.641 12.853 236 HG3 LYS 31 1HG LYS 31 -6.866 1.367 12.954 237 HD2 LYS 31 2HD LYS 31 -3.916 0.963 12.367 238 HD3 LYS 31 1HD LYS 31 -4.727 0.612 13.885 239 HE2 LYS 31 2HE LYS 31 -4.919 -0.848 11.267 240 HE3 LYS 31 1HE LYS 31 -4.727 -1.496 12.893 241 HZ1 LYS 31 3HZ LYS 31 -6.970 -1.815 11.907 242 HZ2 LYS 31 1HZ LYS 31 -7.186 -0.134 11.949 243 HZ3 LYS 31 2HZ LYS 31 -6.975 -0.999 13.396 244 H PHE 32 H PHE 32 -2.984 2.382 11.792 245 HA PHE 32 HA PHE 32 -3.448 5.103 12.713 246 HB2 PHE 32 2HB PHE 32 -2.678 3.166 14.184 247 HB3 PHE 32 1HB PHE 32 -1.104 3.324 13.398 248 HD1 PHE 32 2HD PHE 32 -3.647 5.140 15.422 249 HD2 PHE 32 1HD PHE 32 0.396 5.090 13.973 250 HE1 PHE 32 2HE PHE 32 -3.081 7.022 16.934 251 HE2 PHE 32 1HE PHE 32 0.963 6.970 15.486 252 HZ PHE 32 HZ PHE 32 -0.776 7.937 16.967 253 H GLY 33 H GLY 33 -2.484 4.323 9.890 254 HA2 GLY 33 2HA GLY 33 -1.168 5.327 8.287 255 HA3 GLY 33 1HA GLY 33 -0.813 6.582 9.473 256 H LYS 34 H LYS 34 -0.102 3.692 10.883 257 HA LYS 34 HA LYS 34 2.752 4.103 10.619 258 HB2 LYS 34 2HB LYS 34 1.513 3.422 12.756 259 HB3 LYS 34 1HB LYS 34 1.390 1.817 12.042 260 HG2 LYS 34 2HG LYS 34 3.923 1.937 11.689 261 HG3 LYS 34 1HG LYS 34 3.901 3.341 12.755 262 HD2 LYS 34 2HD LYS 34 2.947 0.544 13.438 263 HD3 LYS 34 1HD LYS 34 4.377 1.351 14.080 264 HE2 LYS 34 2HE LYS 34 1.476 1.977 14.605 265 HE3 LYS 34 1HE LYS 34 2.765 1.673 15.769 266 HZ1 LYS 34 3HZ LYS 34 3.755 3.781 14.511 267 HZ2 LYS 34 1HZ LYS 34 2.763 3.908 15.880 268 HZ3 LYS 34 2HZ LYS 34 2.097 4.110 14.329 269 H SER 35 H SER 35 4.122 2.970 9.373 270 HA SER 35 HA SER 35 3.029 1.104 7.440 271 HB2 SER 35 2HB SER 35 4.627 2.533 6.498 272 HB3 SER 35 1HB SER 35 5.709 2.388 7.881 273 HG SER 35 HG SER 35 5.792 0.074 7.235 274 H MET 36 H MET 36 2.711 -0.950 8.003 275 HA MET 36 HA MET 36 4.435 -2.231 10.012 276 HB2 MET 36 2HB MET 36 1.835 -3.024 8.688 277 HB3 MET 36 1HB MET 36 2.756 -4.124 9.717 278 HG2 MET 36 2HG MET 36 2.647 -2.468 11.559 279 HG3 MET 36 1HG MET 36 1.686 -1.404 10.530 280 HE1 MET 36 3HE MET 36 0.474 -5.198 12.722 281 HE2 MET 36 1HE MET 36 1.750 -4.031 13.101 282 HE3 MET 36 2HE MET 36 1.929 -5.127 11.733 283 H ASN 37 H ASN 37 6.250 -3.127 9.259 284 HA ASN 37 HA ASN 37 6.714 -3.763 6.548 285 HB2 ASN 37 2HB ASN 37 8.500 -3.260 8.202 286 HB3 ASN 37 1HB ASN 37 8.197 -4.824 8.956 287 HD21 ASN 37 1HD2 ASN 37 7.995 -6.621 6.954 288 HD22 ASN 37 2HD2 ASN 37 9.353 -6.590 5.928 289 H MET 38 H MET 38 5.138 -5.135 5.754 290 HA MET 38 HA MET 38 4.902 -7.814 6.949 291 HB2 MET 38 2HB MET 38 2.792 -6.762 6.469 292 HB3 MET 38 1HB MET 38 3.287 -6.389 4.816 293 HG2 MET 38 2HG MET 38 3.372 -8.776 4.289 294 HG3 MET 38 1HG MET 38 3.025 -9.178 5.961 295 HE1 MET 38 3HE MET 38 0.733 -7.675 7.092 296 HE2 MET 38 1HE MET 38 0.900 -9.432 6.972 297 HE3 MET 38 2HE MET 38 -0.610 -8.653 6.506 298 HA PRO 39 HA PRO 39 7.834 -8.999 3.724 299 HB2 PRO 39 2HB PRO 39 7.806 -11.719 4.070 300 HB3 PRO 39 1HB PRO 39 8.662 -10.611 5.164 301 HG2 PRO 39 2HG PRO 39 5.992 -11.908 5.498 302 HG3 PRO 39 1HG PRO 39 7.284 -11.666 6.688 303 HD2 PRO 39 2HD PRO 39 5.081 -10.057 6.562 304 HD3 PRO 39 1HD PRO 39 6.655 -9.470 7.121 305 H GLU 40 H GLU 40 7.852 -10.093 1.671 306 HA GLU 40 HA GLU 40 5.325 -10.052 0.353 307 HB2 GLU 40 2HB GLU 40 7.342 -9.394 -0.831 308 HB3 GLU 40 1HB GLU 40 8.043 -10.994 -0.577 309 HG2 GLU 40 2HG GLU 40 6.421 -12.033 -1.985 310 HG3 GLU 40 1HG GLU 40 5.423 -10.579 -2.028 311 H GLY 41 H GLY 41 3.909 -11.589 1.002 312 HA2 GLY 41 2HA GLY 41 3.608 -14.010 -0.032 313 HA3 GLY 41 1HA GLY 41 4.759 -14.379 1.249 314 H LYS 42 H LYS 42 3.435 -12.074 2.815 315 HA LYS 42 HA LYS 42 1.633 -13.753 4.283 316 HB2 LYS 42 2HB LYS 42 2.691 -10.984 4.516 317 HB3 LYS 42 1HB LYS 42 1.172 -11.301 5.344 318 HG2 LYS 42 2HG LYS 42 3.441 -13.255 5.693 319 HG3 LYS 42 1HG LYS 42 3.503 -11.728 6.564 320 HD2 LYS 42 2HD LYS 42 1.529 -12.175 7.764 321 HD3 LYS 42 1HD LYS 42 1.023 -13.438 6.641 322 HE2 LYS 42 2HE LYS 42 2.931 -14.839 7.378 323 HE3 LYS 42 1HE LYS 42 3.399 -13.583 8.523 324 HZ1 LYS 42 3HZ LYS 42 2.091 -15.250 9.632 325 HZ2 LYS 42 1HZ LYS 42 0.837 -15.086 8.501 326 HZ3 LYS 42 2HZ LYS 42 1.199 -13.806 9.557 327 H VAL 43 H VAL 43 0.138 -14.329 2.709 328 HA VAL 43 HA VAL 43 -1.382 -12.825 1.020 329 HB VAL 43 HB VAL 43 -2.613 -14.976 2.741 330 HG11 VAL 43 1HG1 VAL 43 -2.939 -14.454 -0.218 331 HG12 VAL 43 2HG1 VAL 43 -3.929 -13.628 0.984 332 HG13 VAL 43 3HG1 VAL 43 -3.991 -15.385 0.848 333 HG21 VAL 43 3HG2 VAL 43 -1.680 -16.515 0.899 334 HG22 VAL 43 1HG2 VAL 43 -0.534 -15.940 2.109 335 HG23 VAL 43 2HG2 VAL 43 -0.581 -15.191 0.514 336 H MET 44 H MET 44 -2.685 -11.133 1.235 337 HA MET 44 HA MET 44 -3.859 -10.529 3.888 338 HB2 MET 44 2HB MET 44 -3.550 -8.733 1.470 339 HB3 MET 44 1HB MET 44 -4.075 -8.249 3.077 340 HG2 MET 44 2HG MET 44 -1.883 -8.845 3.991 341 HG3 MET 44 1HG MET 44 -1.364 -9.438 2.414 342 HE1 MET 44 3HE MET 44 -0.880 -6.565 0.195 343 HE2 MET 44 1HE MET 44 -2.603 -6.899 0.375 344 HE3 MET 44 2HE MET 44 -1.441 -8.223 0.386 345 H GLU 45 H GLU 45 -6.125 -9.942 3.962 346 HA GLU 45 HA GLU 45 -7.709 -10.724 1.582 347 HB2 GLU 45 2HB GLU 45 -7.549 -12.664 3.121 348 HB3 GLU 45 1HB GLU 45 -8.259 -11.677 4.401 349 HG2 GLU 45 2HG GLU 45 -10.301 -11.390 3.135 350 HG3 GLU 45 1HG GLU 45 -9.589 -12.176 1.725 351 H THR 46 H THR 46 -9.203 -9.295 1.087 352 HA THR 46 HA THR 46 -9.719 -7.044 2.789 353 HB THR 46 HB THR 46 -11.439 -6.513 0.955 354 HG1 THR 46 1HG THR 46 -10.072 -8.641 -0.307 355 HG21 THR 46 3HG2 THR 46 -8.517 -6.467 0.889 356 HG22 THR 46 1HG2 THR 46 -9.656 -5.271 0.274 357 HG23 THR 46 2HG2 THR 46 -9.183 -6.638 -0.731 358 H ARG 47 H ARG 47 -11.982 -6.348 3.291 359 HA ARG 47 HA ARG 47 -13.253 -8.133 5.003 360 HB2 ARG 47 2HB ARG 47 -15.223 -6.558 4.812 361 HB3 ARG 47 1HB ARG 47 -13.689 -5.789 5.227 362 HG2 ARG 47 2HG ARG 47 -13.356 -5.222 2.825 363 HG3 ARG 47 1HG ARG 47 -14.938 -5.916 2.465 364 HD2 ARG 47 2HD ARG 47 -15.972 -4.304 4.056 365 HD3 ARG 47 1HD ARG 47 -14.389 -3.573 4.307 366 HE ARG 47 HE ARG 47 -14.622 -2.508 2.257 367 HH11 ARG 47 1HH2 ARG 47 -16.860 -5.131 2.555 368 HH12 ARG 47 2HH2 ARG 47 -17.711 -4.753 1.095 369 HH21 ARG 47 1HH1 ARG 47 -15.732 -2.007 0.340 370 HH22 ARG 47 2HH1 ARG 47 -17.073 -2.984 -0.160 371 H ASP 48 H ASP 48 -13.843 -7.461 1.587 372 HA ASP 48 HA ASP 48 -16.212 -9.026 1.365 373 HB2 ASP 48 2HB ASP 48 -14.208 -8.281 -0.780 374 HB3 ASP 48 1HB ASP 48 -15.858 -8.851 -1.047 375 H GLY 49 H GLY 49 -12.781 -9.675 0.715 376 HA2 GLY 49 2HA GLY 49 -12.061 -11.970 1.472 377 HA3 GLY 49 1HA GLY 49 -13.402 -12.575 0.501 378 H THR 50 H THR 50 -11.306 -9.879 -0.405 379 HA THR 50 HA THR 50 -10.642 -11.240 -2.897 380 HB THR 50 HB THR 50 -9.579 -8.555 -2.022 381 HG1 THR 50 1HG THR 50 -12.063 -9.086 -3.277 382 HG21 THR 50 3HG2 THR 50 -9.702 -8.136 -4.466 383 HG22 THR 50 1HG2 THR 50 -10.295 -9.780 -4.700 384 HG23 THR 50 2HG2 THR 50 -8.666 -9.510 -4.081 385 H LYS 51 H LYS 51 -8.716 -12.125 -3.414 386 HA LYS 51 HA LYS 51 -6.761 -12.471 -1.271 387 HB2 LYS 51 2HB LYS 51 -7.434 -14.431 -2.556 388 HB3 LYS 51 1HB LYS 51 -6.923 -13.650 -4.056 389 HG2 LYS 51 2HG LYS 51 -4.622 -13.656 -3.372 390 HG3 LYS 51 1HG LYS 51 -5.048 -14.141 -1.730 391 HD2 LYS 51 2HD LYS 51 -5.919 -16.289 -2.595 392 HD3 LYS 51 1HD LYS 51 -5.465 -15.809 -4.231 393 HE2 LYS 51 2HE LYS 51 -3.134 -15.803 -3.679 394 HE3 LYS 51 1HE LYS 51 -3.476 -15.940 -1.955 395 HZ1 LYS 51 3HZ LYS 51 -4.571 -18.112 -2.507 396 HZ2 LYS 51 1HZ LYS 51 -2.886 -18.080 -2.690 397 HZ3 LYS 51 2HZ LYS 51 -3.890 -17.983 -4.057 398 H ILE 52 H ILE 52 -5.348 -10.873 -1.015 399 HA ILE 52 HA ILE 52 -3.895 -9.854 -3.396 400 HB ILE 52 HB ILE 52 -3.641 -7.709 -1.973 401 HG12 ILE 52 2HG1 ILE 52 -5.067 -9.230 -0.095 402 HG13 ILE 52 1HG1 ILE 52 -4.818 -7.490 -0.024 403 HG21 ILE 52 1HG2 ILE 52 -5.829 -6.840 -2.829 404 HG22 ILE 52 2HG2 ILE 52 -6.267 -8.495 -3.255 405 HG23 ILE 52 3HG2 ILE 52 -4.884 -7.722 -4.031 406 HD11 ILE 52 3HD1 ILE 52 -7.198 -8.234 0.225 407 HD12 ILE 52 1HD1 ILE 52 -7.144 -8.792 -1.446 408 HD13 ILE 52 2HD1 ILE 52 -6.925 -7.078 -1.080 409 H ILE 53 H ILE 53 -1.860 -10.444 -3.282 410 HA ILE 53 HA ILE 53 -0.657 -11.268 -0.758 411 HB ILE 53 HB ILE 53 0.723 -11.105 -3.438 412 HG12 ILE 53 2HG1 ILE 53 -1.318 -12.309 -3.856 413 HG13 ILE 53 1HG1 ILE 53 -0.023 -13.499 -3.718 414 HG21 ILE 53 1HG2 ILE 53 1.976 -13.035 -2.479 415 HG22 ILE 53 2HG2 ILE 53 1.058 -12.857 -0.984 416 HG23 ILE 53 3HG2 ILE 53 2.147 -11.573 -1.509 417 HD11 ILE 53 3HD1 ILE 53 -0.699 -13.635 -1.219 418 HD12 ILE 53 1HD1 ILE 53 -1.766 -14.396 -2.395 419 HD13 ILE 53 2HD1 ILE 53 -2.179 -12.822 -1.720 420 H MET 54 H MET 54 1.096 -10.272 0.235 421 HA MET 54 HA MET 54 1.254 -7.437 -0.053 422 HB2 MET 54 2HB MET 54 1.735 -8.670 2.080 423 HB3 MET 54 1HB MET 54 3.228 -9.261 1.346 424 HG2 MET 54 2HG MET 54 3.815 -7.308 2.618 425 HG3 MET 54 1HG MET 54 3.858 -6.842 0.929 426 HE1 MET 54 3HE MET 54 3.154 -4.686 0.316 427 HE2 MET 54 1HE MET 54 3.830 -4.305 1.906 428 HE3 MET 54 2HE MET 54 2.317 -3.564 1.387 429 H LYS 55 H LYS 55 1.607 -7.441 -2.370 430 HA LYS 55 HA LYS 55 3.935 -8.432 -3.609 431 HB2 LYS 55 2HB LYS 55 1.795 -7.637 -4.729 432 HB3 LYS 55 1HB LYS 55 2.362 -5.992 -4.460 433 HG2 LYS 55 2HG LYS 55 3.194 -6.374 -6.599 434 HG3 LYS 55 1HG LYS 55 4.565 -6.879 -5.622 435 HD2 LYS 55 2HD LYS 55 4.367 -8.706 -7.059 436 HD3 LYS 55 1HD LYS 55 3.375 -9.251 -5.710 437 HE2 LYS 55 2HE LYS 55 2.227 -9.603 -7.872 438 HE3 LYS 55 1HE LYS 55 1.347 -8.457 -6.865 439 HZ1 LYS 55 3HZ LYS 55 2.394 -8.063 -9.429 440 HZ2 LYS 55 1HZ LYS 55 3.233 -7.041 -8.367 441 HZ3 LYS 55 2HZ LYS 55 1.539 -6.960 -8.461 442 H GLY 56 H GLY 56 3.218 -5.003 -3.243 443 HA2 GLY 56 2HA GLY 56 5.902 -4.168 -3.426 444 HA3 GLY 56 1HA GLY 56 4.545 -3.179 -2.909 445 H ASN 57 H ASN 57 6.850 -5.627 -1.735 446 HA ASN 57 HA ASN 57 6.255 -5.169 1.028 447 HB2 ASN 57 2HB ASN 57 7.308 -7.256 0.335 448 HB3 ASN 57 1HB ASN 57 8.700 -6.372 -0.296 449 HD21 ASN 57 1HD2 ASN 57 7.151 -5.316 2.695 450 HD22 ASN 57 2HD2 ASN 57 8.410 -5.806 3.731 451 H GLU 58 H GLU 58 7.602 -3.254 -1.278 452 HA GLU 58 HA GLU 58 9.676 -1.990 0.310 453 HB2 GLU 58 2HB GLU 58 8.414 -1.178 -2.322 454 HB3 GLU 58 1HB GLU 58 9.851 -0.449 -1.605 455 HG2 GLU 58 2HG GLU 58 10.925 -2.728 -1.632 456 HG3 GLU 58 1HG GLU 58 9.534 -3.313 -2.541 457 H ILE 59 H ILE 59 8.139 -1.580 2.118 458 HA ILE 59 HA ILE 59 6.037 0.333 1.794 459 HB ILE 59 HB ILE 59 6.161 0.390 4.334 460 HG12 ILE 59 2HG1 ILE 59 8.086 -1.913 3.939 461 HG13 ILE 59 1HG1 ILE 59 8.642 -0.275 4.289 462 HG21 ILE 59 1HG2 ILE 59 5.973 -2.343 3.029 463 HG22 ILE 59 2HG2 ILE 59 4.683 -1.138 3.021 464 HG23 ILE 59 3HG2 ILE 59 5.215 -1.850 4.544 465 HD11 ILE 59 3HD1 ILE 59 6.525 -1.487 6.046 466 HD12 ILE 59 1HD1 ILE 59 7.758 -0.286 6.438 467 HD13 ILE 59 2HD1 ILE 59 8.205 -1.980 6.260 468 H PHE 60 H PHE 60 9.459 0.539 2.579 469 HA PHE 60 HA PHE 60 9.632 3.010 3.777 470 HB2 PHE 60 2HB PHE 60 11.874 3.187 2.816 471 HB3 PHE 60 1HB PHE 60 11.571 1.552 3.389 472 HD1 PHE 60 1HD PHE 60 11.587 3.699 0.337 473 HD2 PHE 60 2HD PHE 60 11.656 -0.301 1.905 474 HE1 PHE 60 1HE PHE 60 12.077 2.818 -1.928 475 HE2 PHE 60 2HE PHE 60 12.146 -1.180 -0.360 476 HZ PHE 60 HZ PHE 60 12.356 0.380 -2.277 477 H ARG 61 H ARG 61 8.865 2.259 0.457 478 HA ARG 61 HA ARG 61 9.388 4.680 -0.801 479 HB2 ARG 61 2HB ARG 61 8.660 2.734 -2.056 480 HB3 ARG 61 1HB ARG 61 7.103 2.740 -1.233 481 HG2 ARG 61 2HG ARG 61 7.008 3.746 -3.524 482 HG3 ARG 61 1HG ARG 61 6.510 4.868 -2.263 483 HD2 ARG 61 2HD ARG 61 8.496 6.114 -2.415 484 HD3 ARG 61 1HD ARG 61 9.381 4.796 -3.175 485 HE ARG 61 HE ARG 61 7.801 6.776 -4.514 486 HH11 ARG 61 1HH2 ARG 61 8.824 3.470 -4.552 487 HH12 ARG 61 2HH2 ARG 61 8.671 3.298 -6.269 488 HH21 ARG 61 1HH1 ARG 61 7.594 6.556 -6.765 489 HH22 ARG 61 2HH1 ARG 61 7.972 5.044 -7.522 490 H LEU 62 H LEU 62 6.699 3.747 1.278 491 HA LEU 62 HA LEU 62 4.911 5.806 0.845 492 HB2 LEU 62 2HB LEU 62 4.357 3.990 2.333 493 HB3 LEU 62 1HB LEU 62 5.669 4.419 3.424 494 HG LEU 62 HG LEU 62 4.571 6.489 4.043 495 HD11 LEU 62 1HD1 LEU 62 2.191 6.854 3.059 496 HD12 LEU 62 2HD1 LEU 62 2.714 5.769 1.770 497 HD13 LEU 62 3HD1 LEU 62 3.573 7.284 2.052 498 HD21 LEU 62 3HD2 LEU 62 2.618 4.167 3.971 499 HD22 LEU 62 1HD2 LEU 62 2.463 5.585 5.009 500 HD23 LEU 62 2HD2 LEU 62 3.819 4.478 5.225 501 H ASP 63 H ASP 63 7.646 5.788 3.142 502 HA ASP 63 HA ASP 63 8.295 8.509 2.684 503 HB2 ASP 63 2HB ASP 63 7.621 9.386 4.934 504 HB3 ASP 63 1HB ASP 63 6.262 9.030 3.870 505 H GLU 64 H GLU 64 8.496 8.055 5.971 506 HA GLU 64 HA GLU 64 10.442 7.956 7.250 507 HB2 GLU 64 2HB GLU 64 11.217 5.476 7.278 508 HB3 GLU 64 1HB GLU 64 9.569 5.851 7.771 509 HG2 GLU 64 2HG GLU 64 8.723 5.250 5.567 510 HG3 GLU 64 1HG GLU 64 10.363 4.986 4.976 511 H ALA 65 H ALA 65 12.044 9.229 6.447 512 HA ALA 65 HA ALA 65 14.037 9.785 5.457 513 HB1 ALA 65 1HB ALA 65 14.453 6.792 5.286 514 HB2 ALA 65 2HB ALA 65 14.779 7.763 6.720 515 HB3 ALA 65 3HB ALA 65 15.700 8.038 5.242 516 H LEU 66 H LEU 66 11.549 8.929 3.845 517 HA LEU 66 HA LEU 66 10.930 8.779 1.646 518 HB2 LEU 66 2HB LEU 66 12.042 10.898 1.420 519 HB3 LEU 66 1HB LEU 66 13.625 10.127 1.371 520 HG LEU 66 HG LEU 66 13.169 9.147 -0.784 521 HD11 LEU 66 1HD1 LEU 66 10.907 8.456 -0.668 522 HD12 LEU 66 2HD1 LEU 66 10.897 9.734 -1.881 523 HD13 LEU 66 3HD1 LEU 66 10.345 10.072 -0.240 524 HD21 LEU 66 3HD2 LEU 66 12.195 12.018 -0.667 525 HD22 LEU 66 1HD2 LEU 66 12.705 11.189 -2.138 526 HD23 LEU 66 2HD2 LEU 66 13.868 11.488 -0.847 527 H ARG 67 H ARG 67 14.397 8.351 1.052 528 HA ARG 67 HA ARG 67 15.575 6.635 0.079 529 HB2 ARG 67 2HB ARG 67 13.452 4.814 1.223 530 HB3 ARG 67 1HB ARG 67 15.127 4.412 0.840 531 HG2 ARG 67 2HG ARG 67 15.828 6.148 2.547 532 HG3 ARG 67 1HG ARG 67 14.134 6.253 3.029 533 HD2 ARG 67 2HD ARG 67 14.102 3.902 3.625 534 HD3 ARG 67 1HD ARG 67 15.728 3.676 2.987 535 HE ARG 67 HE ARG 67 15.861 5.675 4.946 536 HH11 ARG 67 1HH2 ARG 67 15.098 2.316 4.631 537 HH12 ARG 67 2HH2 ARG 67 15.616 1.907 6.233 538 HH21 ARG 67 1HH1 ARG 67 16.542 5.147 7.047 539 HH22 ARG 67 2HH1 ARG 67 16.434 3.509 7.601 540 H LYS 68 H LYS 68 15.038 7.360 -2.037 541 HA LYS 68 HA LYS 68 14.256 7.098 -4.178 542 HB2 LYS 68 2HB LYS 68 15.069 4.740 -3.681 543 HB3 LYS 68 1HB LYS 68 13.398 4.338 -3.294 544 HG2 LYS 68 2HG LYS 68 13.482 3.750 -5.552 545 HG3 LYS 68 1HG LYS 68 12.883 5.404 -5.657 546 HD2 LYS 68 2HD LYS 68 15.118 6.234 -6.153 547 HD3 LYS 68 1HD LYS 68 15.813 4.637 -5.881 548 HE2 LYS 68 2HE LYS 68 14.480 3.745 -7.763 549 HE3 LYS 68 1HE LYS 68 13.815 5.354 -8.047 550 HZ1 LYS 68 3HZ LYS 68 16.638 4.491 -8.302 551 HZ2 LYS 68 1HZ LYS 68 16.169 6.121 -8.296 552 HZ3 LYS 68 2HZ LYS 68 15.617 5.083 -9.523 553 H GLY 69 H GLY 69 12.547 8.335 -4.634 554 HA2 GLY 69 2HA GLY 69 9.970 7.470 -4.939 555 HA3 GLY 69 1HA GLY 69 10.021 8.065 -3.283 556 H HIS 70 H HIS 70 8.725 9.040 -5.871 557 HA HIS 70 HA HIS 70 8.313 11.032 -6.950 558 HB2 HIS 70 2HB HIS 70 9.262 12.214 -4.330 559 HB3 HIS 70 1HB HIS 70 8.192 12.974 -5.511 560 HD2 HIS 70 2HD HIS 70 7.930 10.659 -2.456 561 HE1 HIS 70 1HE HIS 70 4.196 10.466 -4.415 562 HE2 HIS 70 2HE HIS 70 5.451 9.854 -2.294 563 H SER 71 H SER 71 11.262 9.951 -6.572 564 HA SER 71 HA SER 71 12.897 12.280 -6.919 565 HB2 SER 71 2HB SER 71 14.672 10.670 -7.468 566 HB3 SER 71 1HB SER 71 13.807 10.186 -6.012 567 HG SER 71 HG SER 71 12.720 8.658 -7.177 568 H GLU 72 H GLU 72 10.719 12.365 -8.701 569 HA GLU 72 HA GLU 72 11.180 11.421 -11.282 570 HB2 GLU 72 2HB GLU 72 9.902 14.035 -10.440 571 HB3 GLU 72 1HB GLU 72 9.746 13.285 -12.030 572 HG2 GLU 72 2HG GLU 72 8.768 11.267 -10.946 573 HG3 GLU 72 1HG GLU 72 8.842 12.096 -9.391 574 H GLY 73 H GLY 73 13.446 11.557 -11.659 575 HA2 GLY 73 2HA GLY 73 14.283 13.745 -13.196 576 HA3 GLY 73 1HA GLY 73 14.949 13.945 -11.577 577 H GLY 74 H GLY 74 16.336 13.422 -14.119 578 HA2 GLY 74 2HA GLY 74 18.118 12.182 -14.880 579 HA3 GLY 74 1HA GLY 74 18.277 11.594 -13.226 580 H1 HOH 201 H2 HOH 77 6.774 9.591 -6.932 581 H2 HOH 201 H1 HOH 77 5.756 9.267 -8.005 Start of MODEL 6 1 H1 VAL 1 1H VAL 1 -1.769 14.530 -12.433 2 H2 VAL 1 2H VAL 1 -0.317 15.146 -13.060 3 HA VAL 1 HA VAL 1 -1.484 13.402 -14.443 4 HB VAL 1 HB VAL 1 1.346 12.745 -13.588 5 HG11 VAL 1 2HG1 VAL 1 0.373 11.216 -15.224 6 HG12 VAL 1 3HG1 VAL 1 1.564 12.240 -16.025 7 HG13 VAL 1 1HG1 VAL 1 -0.157 12.574 -16.218 8 HG21 VAL 1 1HG2 VAL 1 1.318 15.126 -13.856 9 HG22 VAL 1 2HG2 VAL 1 0.270 15.020 -15.272 10 HG23 VAL 1 3HG2 VAL 1 1.944 14.475 -15.372 11 H ASP 2 H ASP 2 -2.922 12.521 -12.560 12 HA ASP 2 HA ASP 2 -2.588 9.714 -12.471 13 HB2 ASP 2 2HB ASP 2 -2.322 9.551 -9.947 14 HB3 ASP 2 1HB ASP 2 -0.878 10.018 -10.844 15 H MET 3 H MET 3 -4.262 12.558 -11.984 16 HA MET 3 HA MET 3 -6.321 11.843 -10.214 17 HB2 MET 3 2HB MET 3 -7.655 13.580 -11.431 18 HB3 MET 3 1HB MET 3 -6.060 14.138 -10.924 19 HG2 MET 3 2HG MET 3 -5.193 13.595 -13.204 20 HG3 MET 3 1HG MET 3 -6.834 13.179 -13.693 21 HE1 MET 3 3HE MET 3 -6.659 14.913 -15.669 22 HE2 MET 3 1HE MET 3 -5.004 15.226 -15.130 23 HE3 MET 3 2HE MET 3 -6.094 16.569 -15.465 24 H SER 4 H SER 4 -5.796 11.095 -13.597 25 HA SER 4 HA SER 4 -8.434 10.135 -14.132 26 HB2 SER 4 2HB SER 4 -6.925 10.831 -15.938 27 HB3 SER 4 1HB SER 4 -5.811 9.532 -15.522 28 HG SER 4 HG SER 4 -6.993 8.456 -16.901 29 H ASN 5 H ASN 5 -5.409 8.627 -13.087 30 HA ASN 5 HA ASN 5 -6.420 5.946 -13.194 31 HB2 ASN 5 2HB ASN 5 -3.999 6.508 -13.318 32 HB3 ASN 5 1HB ASN 5 -4.063 7.030 -11.635 33 HD21 ASN 5 1HD2 ASN 5 -3.346 4.370 -13.565 34 HD22 ASN 5 2HD2 ASN 5 -3.553 3.148 -12.405 35 H VAL 6 H VAL 6 -7.715 4.964 -11.787 36 HA VAL 6 HA VAL 6 -8.644 6.302 -9.428 37 HB VAL 6 HB VAL 6 -9.072 3.412 -10.211 38 HG11 VAL 6 1HG1 VAL 6 -11.182 3.750 -8.930 39 HG12 VAL 6 2HG1 VAL 6 -10.637 5.371 -8.502 40 HG13 VAL 6 3HG1 VAL 6 -9.750 3.961 -7.925 41 HG21 VAL 6 3HG2 VAL 6 -10.654 5.890 -10.974 42 HG22 VAL 6 1HG2 VAL 6 -11.102 4.225 -11.353 43 HG23 VAL 6 2HG2 VAL 6 -9.656 4.936 -12.072 44 H VAL 7 H VAL 7 -7.911 6.163 -7.400 45 HA VAL 7 HA VAL 7 -5.466 4.852 -6.799 46 HB VAL 7 HB VAL 7 -6.196 6.873 -5.613 47 HG11 VAL 7 1HG1 VAL 7 -8.053 6.835 -4.074 48 HG12 VAL 7 2HG1 VAL 7 -8.273 5.101 -4.302 49 HG13 VAL 7 3HG1 VAL 7 -8.638 6.216 -5.619 50 HG21 VAL 7 3HG2 VAL 7 -5.552 6.175 -3.396 51 HG22 VAL 7 1HG2 VAL 7 -4.672 5.156 -4.537 52 HG23 VAL 7 2HG2 VAL 7 -6.091 4.523 -3.702 53 H LYS 8 H LYS 8 -5.069 3.095 -5.394 54 HA LYS 8 HA LYS 8 -7.204 1.060 -5.404 55 HB2 LYS 8 2HB LYS 8 -4.852 0.649 -6.357 56 HB3 LYS 8 1HB LYS 8 -4.307 0.625 -4.682 57 HG2 LYS 8 2HG LYS 8 -4.768 -1.636 -4.982 58 HG3 LYS 8 1HG LYS 8 -6.328 -1.082 -4.377 59 HD2 LYS 8 2HD LYS 8 -6.988 -2.285 -6.266 60 HD3 LYS 8 1HD LYS 8 -6.849 -0.664 -6.939 61 HE2 LYS 8 2HE LYS 8 -5.746 -2.356 -8.381 62 HE3 LYS 8 1HE LYS 8 -4.586 -1.178 -7.760 63 HZ1 LYS 8 3HZ LYS 8 -3.450 -2.859 -6.912 64 HZ2 LYS 8 1HZ LYS 8 -4.634 -3.974 -7.394 65 HZ3 LYS 8 2HZ LYS 8 -4.755 -3.210 -5.881 66 H THR 9 H THR 9 -7.915 0.064 -3.549 67 HA THR 9 HA THR 9 -6.697 0.676 -0.976 68 HB THR 9 HB THR 9 -9.479 1.628 -1.697 69 HG1 THR 9 1HG THR 9 -7.823 3.063 -2.199 70 HG21 THR 9 3HG2 THR 9 -9.344 2.438 0.776 71 HG22 THR 9 1HG2 THR 9 -8.131 1.171 0.960 72 HG23 THR 9 2HG2 THR 9 -9.772 0.757 0.465 73 H TYR 10 H TYR 10 -6.543 -1.310 -0.162 74 HA TYR 10 HA TYR 10 -8.805 -3.199 -0.482 75 HB2 TYR 10 2HB TYR 10 -5.885 -3.690 0.165 76 HB3 TYR 10 1HB TYR 10 -7.122 -4.939 0.129 77 HD1 TYR 10 2HD TYR 10 -8.670 -4.772 -2.145 78 HD2 TYR 10 1HD TYR 10 -4.568 -3.535 -1.763 79 HE1 TYR 10 2HE TYR 10 -8.368 -5.013 -4.587 80 HE2 TYR 10 1HE TYR 10 -4.271 -3.787 -4.209 81 HH TYR 10 HH TYR 10 -6.392 -5.448 -6.158 82 H ASP 11 H ASP 11 -10.143 -2.933 1.226 83 HA ASP 11 HA ASP 11 -9.255 -2.133 3.820 84 HB2 ASP 11 2HB ASP 11 -11.869 -3.282 2.834 85 HB3 ASP 11 1HB ASP 11 -11.588 -2.758 4.494 86 H LEU 12 H LEU 12 -7.638 -3.653 4.325 87 HA LEU 12 HA LEU 12 -7.911 -6.437 4.405 88 HB2 LEU 12 2HB LEU 12 -6.096 -4.403 5.480 89 HB3 LEU 12 1HB LEU 12 -6.226 -5.790 6.554 90 HG LEU 12 HG LEU 12 -5.517 -7.308 4.829 91 HD11 LEU 12 1HD1 LEU 12 -4.801 -5.998 2.551 92 HD12 LEU 12 2HD1 LEU 12 -6.224 -5.063 3.009 93 HD13 LEU 12 3HD1 LEU 12 -6.351 -6.802 2.761 94 HD21 LEU 12 3HD2 LEU 12 -3.311 -6.118 4.087 95 HD22 LEU 12 1HD2 LEU 12 -3.607 -6.357 5.808 96 HD23 LEU 12 2HD2 LEU 12 -3.887 -4.778 5.070 97 H GLN 13 H GLN 13 -8.070 -7.826 6.306 98 HA GLN 13 HA GLN 13 -10.433 -7.164 7.835 99 HB2 GLN 13 2HB GLN 13 -8.625 -9.580 7.712 100 HB3 GLN 13 1HB GLN 13 -9.960 -9.461 8.861 101 HG2 GLN 13 2HG GLN 13 -10.376 -8.994 5.904 102 HG3 GLN 13 1HG GLN 13 -10.447 -10.612 6.603 103 HE21 GLN 13 1HE2 GLN 13 -11.469 -8.378 8.934 104 HE22 GLN 13 2HE2 GLN 13 -13.147 -8.511 8.682 105 H ASP 14 H ASP 14 -7.036 -6.919 8.268 106 HA ASP 14 HA ASP 14 -7.061 -7.004 11.153 107 HB2 ASP 14 2HB ASP 14 -4.947 -5.969 9.248 108 HB3 ASP 14 1HB ASP 14 -4.726 -6.285 10.970 109 H GLY 15 H GLY 15 -8.629 -4.977 9.357 110 HA2 GLY 15 2HA GLY 15 -9.492 -2.873 9.791 111 HA3 GLY 15 1HA GLY 15 -8.474 -2.801 11.230 112 H SER 16 H SER 16 -6.333 -3.629 8.990 113 HA SER 16 HA SER 16 -5.244 -0.982 8.761 114 HB2 SER 16 2HB SER 16 -3.484 -2.126 7.406 115 HB3 SER 16 1HB SER 16 -3.738 -2.866 8.986 116 HG SER 16 HG SER 16 -4.661 -3.730 6.449 117 H LYS 17 H LYS 17 -4.179 -0.859 6.252 118 HA LYS 17 HA LYS 17 -6.210 -1.237 4.232 119 HB2 LYS 17 2HB LYS 17 -6.945 0.826 5.491 120 HB3 LYS 17 1HB LYS 17 -5.447 1.596 4.969 121 HG2 LYS 17 2HG LYS 17 -6.151 0.959 2.576 122 HG3 LYS 17 1HG LYS 17 -7.744 0.629 3.259 123 HD2 LYS 17 2HD LYS 17 -6.243 3.260 3.415 124 HD3 LYS 17 1HD LYS 17 -7.662 2.933 2.423 125 HE2 LYS 17 2HE LYS 17 -7.479 3.109 5.429 126 HE3 LYS 17 1HE LYS 17 -8.541 4.001 4.341 127 HZ1 LYS 17 3HZ LYS 17 -8.760 1.247 5.310 128 HZ2 LYS 17 1HZ LYS 17 -9.344 1.593 3.755 129 HZ3 LYS 17 2HZ LYS 17 -9.969 2.421 5.100 130 H VAL 18 H VAL 18 -5.118 -1.736 2.443 131 HA VAL 18 HA VAL 18 -2.310 -0.916 2.183 132 HB VAL 18 HB VAL 18 -3.666 -2.706 0.190 133 HG11 VAL 18 1HG1 VAL 18 -1.524 -3.688 0.005 134 HG12 VAL 18 2HG1 VAL 18 -1.000 -3.052 1.563 135 HG13 VAL 18 3HG1 VAL 18 -1.195 -1.966 0.187 136 HG21 VAL 18 3HG2 VAL 18 -3.088 -4.626 1.810 137 HG22 VAL 18 1HG2 VAL 18 -4.557 -3.706 2.128 138 HG23 VAL 18 2HG2 VAL 18 -3.101 -3.391 3.074 139 H HIS 19 H HIS 19 -1.497 0.112 0.342 140 HA HIS 19 HA HIS 19 -3.374 1.112 -1.683 141 HB2 HIS 19 2HB HIS 19 -1.974 3.395 -1.358 142 HB3 HIS 19 1HB HIS 19 -3.476 3.089 -0.494 143 HD1 HIS 19 1HD HIS 19 -3.278 3.638 1.896 144 HD2 HIS 19 2HD HIS 19 0.334 2.188 0.396 145 HE1 HIS 19 1HE HIS 19 -1.635 3.680 3.817 146 HE2 HIS 19 2HE HIS 19 0.565 2.778 2.926 147 H VAL 20 H VAL 20 -2.523 0.604 -3.576 148 HA VAL 20 HA VAL 20 0.304 -0.030 -3.761 149 HB VAL 20 HB VAL 20 -0.167 -1.208 -5.694 150 HG11 VAL 20 1HG1 VAL 20 -2.546 -2.156 -5.508 151 HG12 VAL 20 2HG1 VAL 20 -2.740 -1.100 -4.116 152 HG13 VAL 20 3HG1 VAL 20 -1.502 -2.338 -4.112 153 HG21 VAL 20 3HG2 VAL 20 -2.227 -0.672 -7.122 154 HG22 VAL 20 1HG2 VAL 20 -0.922 0.512 -7.148 155 HG23 VAL 20 2HG2 VAL 20 -2.364 0.811 -6.177 156 H PHE 21 H PHE 21 1.689 0.784 -5.417 157 HA PHE 21 HA PHE 21 1.268 3.662 -5.900 158 HB2 PHE 21 2HB PHE 21 3.742 1.922 -6.010 159 HB3 PHE 21 1HB PHE 21 3.716 3.644 -6.391 160 HD1 PHE 21 1HD PHE 21 3.199 5.317 -4.638 161 HD2 PHE 21 2HD PHE 21 3.535 1.130 -3.737 162 HE1 PHE 21 1HE PHE 21 3.367 5.850 -2.221 163 HE2 PHE 21 2HE PHE 21 3.704 1.663 -1.322 164 HZ PHE 21 HZ PHE 21 3.621 4.022 -0.563 165 H LYS 22 H LYS 22 3.025 3.999 -8.021 166 HA LYS 22 HA LYS 22 1.354 3.246 -10.233 167 HB2 LYS 22 2HB LYS 22 4.120 4.421 -10.467 168 HB3 LYS 22 1HB LYS 22 2.740 4.630 -11.545 169 HG2 LYS 22 2HG LYS 22 2.991 5.700 -8.720 170 HG3 LYS 22 1HG LYS 22 3.024 6.649 -10.204 171 HD2 LYS 22 2HD LYS 22 0.702 5.661 -10.696 172 HD3 LYS 22 1HD LYS 22 0.696 5.135 -9.012 173 HE2 LYS 22 2HE LYS 22 -0.408 7.315 -9.205 174 HE3 LYS 22 1HE LYS 22 1.095 7.479 -8.296 175 HZ1 LYS 22 3HZ LYS 22 1.784 7.796 -10.943 176 HZ2 LYS 22 1HZ LYS 22 1.686 9.011 -9.763 177 HZ3 LYS 22 2HZ LYS 22 0.347 8.682 -10.755 178 H ASP 23 H ASP 23 4.195 1.960 -8.724 179 HA ASP 23 HA ASP 23 5.018 0.363 -10.991 180 HB2 ASP 23 2HB ASP 23 5.832 0.212 -8.079 181 HB3 ASP 23 1HB ASP 23 6.627 -0.620 -9.417 182 H GLY 24 H GLY 24 2.289 0.168 -9.434 183 HA2 GLY 24 2HA GLY 24 0.738 -1.519 -9.174 184 HA3 GLY 24 1HA GLY 24 1.891 -2.614 -9.932 185 H LYS 25 H LYS 25 3.765 -1.438 -7.665 186 HA LYS 25 HA LYS 25 3.578 -3.704 -5.939 187 HB2 LYS 25 2HB LYS 25 5.150 -1.148 -6.030 188 HB3 LYS 25 1HB LYS 25 5.120 -2.028 -4.509 189 HG2 LYS 25 2HG LYS 25 5.846 -4.089 -5.765 190 HG3 LYS 25 1HG LYS 25 6.044 -3.080 -7.196 191 HD2 LYS 25 2HD LYS 25 7.413 -2.512 -4.553 192 HD3 LYS 25 1HD LYS 25 8.159 -3.452 -5.842 193 HE2 LYS 25 2HE LYS 25 7.636 -1.414 -7.360 194 HE3 LYS 25 1HE LYS 25 7.394 -0.534 -5.852 195 HZ1 LYS 25 3HZ LYS 25 9.748 -0.749 -7.014 196 HZ2 LYS 25 1HZ LYS 25 9.806 -2.151 -6.063 197 HZ3 LYS 25 2HZ LYS 25 9.571 -0.637 -5.328 198 H MET 26 H MET 26 2.811 -3.859 -3.862 199 HA MET 26 HA MET 26 0.579 -2.170 -3.193 200 HB2 MET 26 2HB MET 26 1.668 -4.779 -2.299 201 HB3 MET 26 1HB MET 26 0.812 -3.865 -1.058 202 HG2 MET 26 2HG MET 26 -1.178 -3.771 -2.363 203 HG3 MET 26 1HG MET 26 -0.343 -4.344 -3.811 204 HE1 MET 26 3HE MET 26 -2.014 -7.576 -3.724 205 HE2 MET 26 1HE MET 26 -0.581 -6.914 -4.524 206 HE3 MET 26 2HE MET 26 -2.013 -5.911 -4.305 207 H GLY 27 H GLY 27 0.509 -2.021 -0.534 208 HA2 GLY 27 2HA GLY 27 2.959 -0.889 0.552 209 HA3 GLY 27 1HA GLY 27 1.672 0.276 0.253 210 H MET 28 H MET 28 2.951 -1.855 2.497 211 HA MET 28 HA MET 28 0.465 -2.542 3.816 212 HB2 MET 28 2HB MET 28 2.556 -3.990 3.736 213 HB3 MET 28 1HB MET 28 3.264 -2.865 4.884 214 HG2 MET 28 2HG MET 28 2.304 -4.703 6.112 215 HG3 MET 28 1HG MET 28 1.349 -3.262 6.405 216 HE1 MET 28 3HE MET 28 -0.586 -4.191 7.254 217 HE2 MET 28 1HE MET 28 -1.910 -4.858 6.299 218 HE3 MET 28 2HE MET 28 -1.344 -3.222 5.989 219 H GLU 29 H GLU 29 -0.596 -0.987 4.849 220 HA GLU 29 HA GLU 29 0.874 0.683 6.799 221 HB2 GLU 29 2HB GLU 29 0.329 1.941 4.649 222 HB3 GLU 29 1HB GLU 29 -1.370 1.748 5.086 223 HG2 GLU 29 2HG GLU 29 -0.683 3.879 5.951 224 HG3 GLU 29 1HG GLU 29 -0.797 2.788 7.331 225 H ASN 30 H ASN 30 0.007 0.526 8.759 226 HA ASN 30 HA ASN 30 -2.526 -0.849 9.127 227 HB2 ASN 30 2HB ASN 30 -1.969 -0.883 11.456 228 HB3 ASN 30 1HB ASN 30 -0.495 -1.245 10.558 229 HD21 ASN 30 1HD2 ASN 30 0.045 -0.340 13.034 230 HD22 ASN 30 2HD2 ASN 30 0.507 1.298 13.030 231 H LYS 31 H LYS 31 -3.997 0.091 10.910 232 HA LYS 31 HA LYS 31 -4.828 2.729 10.013 233 HB2 LYS 31 2HB LYS 31 -6.908 2.269 10.951 234 HB3 LYS 31 1HB LYS 31 -6.356 0.667 10.480 235 HG2 LYS 31 2HG LYS 31 -6.216 1.854 13.282 236 HG3 LYS 31 1HG LYS 31 -7.331 0.615 12.732 237 HD2 LYS 31 2HD LYS 31 -4.316 0.291 12.738 238 HD3 LYS 31 1HD LYS 31 -5.383 -0.308 13.999 239 HE2 LYS 31 2HE LYS 31 -6.647 -1.503 12.056 240 HE3 LYS 31 1HE LYS 31 -5.170 -1.224 11.137 241 HZ1 LYS 31 3HZ LYS 31 -3.978 -2.628 12.436 242 HZ2 LYS 31 1HZ LYS 31 -5.498 -3.363 12.601 243 HZ3 LYS 31 2HZ LYS 31 -4.913 -2.340 13.825 244 H PHE 32 H PHE 32 -2.764 1.577 12.368 245 HA PHE 32 HA PHE 32 -3.431 3.479 14.443 246 HB2 PHE 32 2HB PHE 32 -2.254 1.139 14.651 247 HB3 PHE 32 1HB PHE 32 -0.787 2.045 14.281 248 HD1 PHE 32 1HD PHE 32 0.063 3.754 15.823 249 HD2 PHE 32 2HD PHE 32 -3.496 1.520 16.716 250 HE1 PHE 32 1HE PHE 32 0.169 4.529 18.176 251 HE2 PHE 32 2HE PHE 32 -3.390 2.296 19.069 252 HZ PHE 32 HZ PHE 32 -1.558 3.800 19.800 253 H GLY 33 H GLY 33 -1.992 3.772 11.473 254 HA2 GLY 33 2HA GLY 33 -1.068 5.690 10.523 255 HA3 GLY 33 1HA GLY 33 -0.909 6.385 12.135 256 H LYS 34 H LYS 34 0.288 3.185 11.431 257 HA LYS 34 HA LYS 34 3.062 4.171 11.200 258 HB2 LYS 34 2HB LYS 34 2.144 2.062 13.173 259 HB3 LYS 34 1HB LYS 34 3.816 2.534 12.871 260 HG2 LYS 34 2HG LYS 34 3.066 4.928 13.457 261 HG3 LYS 34 1HG LYS 34 1.606 4.181 14.107 262 HD2 LYS 34 2HD LYS 34 4.461 3.646 14.975 263 HD3 LYS 34 1HD LYS 34 3.198 4.437 15.919 264 HE2 LYS 34 2HE LYS 34 1.856 2.256 15.628 265 HE3 LYS 34 1HE LYS 34 3.377 1.536 15.101 266 HZ1 LYS 34 3HZ LYS 34 2.956 1.280 17.498 267 HZ2 LYS 34 1HZ LYS 34 2.999 2.966 17.674 268 HZ3 LYS 34 2HZ LYS 34 4.390 2.131 17.170 269 H SER 35 H SER 35 3.989 3.241 9.507 270 HA SER 35 HA SER 35 2.835 1.254 7.928 271 HB2 SER 35 2HB SER 35 5.800 1.793 8.147 272 HB3 SER 35 1HB SER 35 4.927 1.155 6.757 273 HG SER 35 HG SER 35 5.181 3.742 7.681 274 H MET 36 H MET 36 3.072 -0.951 7.765 275 HA MET 36 HA MET 36 4.469 -2.309 10.015 276 HB2 MET 36 2HB MET 36 1.830 -2.857 8.666 277 HB3 MET 36 1HB MET 36 2.725 -4.180 9.418 278 HG2 MET 36 2HG MET 36 2.801 -2.865 11.542 279 HG3 MET 36 1HG MET 36 1.802 -1.627 10.776 280 HE1 MET 36 3HE MET 36 2.037 -5.510 11.360 281 HE2 MET 36 1HE MET 36 0.641 -5.686 12.431 282 HE3 MET 36 2HE MET 36 1.965 -4.611 12.872 283 H ASN 37 H ASN 37 6.277 -3.188 9.302 284 HA ASN 37 HA ASN 37 6.821 -3.745 6.573 285 HB2 ASN 37 2HB ASN 37 8.653 -3.240 8.029 286 HB3 ASN 37 1HB ASN 37 8.217 -4.540 9.133 287 HD21 ASN 37 1HD2 ASN 37 7.796 -5.478 5.859 288 HD22 ASN 37 2HD2 ASN 37 9.247 -6.350 5.688 289 H MET 38 H MET 38 5.162 -5.118 5.819 290 HA MET 38 HA MET 38 4.943 -7.790 6.999 291 HB2 MET 38 2HB MET 38 2.842 -6.852 6.388 292 HB3 MET 38 1HB MET 38 3.426 -6.375 4.789 293 HG2 MET 38 2HG MET 38 3.626 -8.724 4.148 294 HG3 MET 38 1HG MET 38 3.218 -9.223 5.778 295 HE1 MET 38 3HE MET 38 -0.441 -8.856 6.184 296 HE2 MET 38 1HE MET 38 0.634 -7.544 6.689 297 HE3 MET 38 2HE MET 38 1.151 -9.226 6.845 298 HA PRO 39 HA PRO 39 8.057 -9.013 3.959 299 HB2 PRO 39 2HB PRO 39 8.139 -11.696 4.458 300 HB3 PRO 39 1HB PRO 39 8.867 -10.495 5.548 301 HG2 PRO 39 2HG PRO 39 6.244 -11.908 5.775 302 HG3 PRO 39 1HG PRO 39 7.446 -11.556 7.032 303 HD2 PRO 39 2HD PRO 39 5.183 -10.054 6.681 304 HD3 PRO 39 1HD PRO 39 6.685 -9.382 7.334 305 H GLU 40 H GLU 40 7.922 -9.523 1.842 306 HA GLU 40 HA GLU 40 5.565 -9.853 0.481 307 HB2 GLU 40 2HB GLU 40 6.903 -10.632 -1.421 308 HB3 GLU 40 1HB GLU 40 7.699 -9.285 -0.602 309 HG2 GLU 40 2HG GLU 40 8.959 -11.089 0.749 310 HG3 GLU 40 1HG GLU 40 8.387 -12.225 -0.477 311 H GLY 41 H GLY 41 4.131 -11.434 0.221 312 HA2 GLY 41 2HA GLY 41 3.771 -13.799 -0.400 313 HA3 GLY 41 1HA GLY 41 4.938 -14.227 0.845 314 H LYS 42 H LYS 42 3.687 -11.974 2.544 315 HA LYS 42 HA LYS 42 1.870 -13.687 3.950 316 HB2 LYS 42 2HB LYS 42 3.005 -10.972 4.308 317 HB3 LYS 42 1HB LYS 42 1.453 -11.237 5.087 318 HG2 LYS 42 2HG LYS 42 3.647 -13.283 5.425 319 HG3 LYS 42 1HG LYS 42 3.696 -11.801 6.374 320 HD2 LYS 42 2HD LYS 42 1.666 -12.270 7.465 321 HD3 LYS 42 1HD LYS 42 1.180 -13.457 6.253 322 HE2 LYS 42 2HE LYS 42 3.468 -13.767 8.223 323 HE3 LYS 42 1HE LYS 42 1.907 -14.585 8.315 324 HZ1 LYS 42 3HZ LYS 42 4.151 -15.054 6.507 325 HZ2 LYS 42 1HZ LYS 42 2.592 -15.257 5.871 326 HZ3 LYS 42 2HZ LYS 42 3.081 -16.164 7.222 327 H VAL 43 H VAL 43 0.243 -14.211 2.590 328 HA VAL 43 HA VAL 43 -1.245 -12.523 0.946 329 HB VAL 43 HB VAL 43 -2.264 -14.972 2.399 330 HG11 VAL 43 1HG1 VAL 43 -4.008 -13.662 1.277 331 HG12 VAL 43 2HG1 VAL 43 -3.712 -15.156 0.389 332 HG13 VAL 43 3HG1 VAL 43 -3.054 -13.633 -0.206 333 HG21 VAL 43 3HG2 VAL 43 -1.479 -16.195 0.386 334 HG22 VAL 43 1HG2 VAL 43 -0.138 -15.444 1.251 335 HG23 VAL 43 2HG2 VAL 43 -0.760 -14.704 -0.225 336 H MET 44 H MET 44 -2.622 -10.946 1.341 337 HA MET 44 HA MET 44 -3.824 -10.691 4.041 338 HB2 MET 44 2HB MET 44 -3.832 -8.398 2.112 339 HB3 MET 44 1HB MET 44 -3.673 -8.387 3.844 340 HG2 MET 44 2HG MET 44 -1.366 -9.075 3.729 341 HG3 MET 44 1HG MET 44 -1.484 -9.387 2.001 342 HE1 MET 44 3HE MET 44 -2.324 -7.891 0.425 343 HE2 MET 44 1HE MET 44 -0.711 -7.229 0.173 344 HE3 MET 44 2HE MET 44 -2.088 -6.150 0.349 345 H GLU 45 H GLU 45 -6.103 -10.091 4.122 346 HA GLU 45 HA GLU 45 -7.604 -10.591 1.612 347 HB2 GLU 45 2HB GLU 45 -7.447 -12.679 2.999 348 HB3 GLU 45 1HB GLU 45 -8.318 -11.827 4.277 349 HG2 GLU 45 2HG GLU 45 -10.223 -11.470 2.810 350 HG3 GLU 45 1HG GLU 45 -9.347 -12.172 1.447 351 H THR 46 H THR 46 -9.214 -9.214 1.261 352 HA THR 46 HA THR 46 -9.787 -7.183 3.257 353 HB THR 46 HB THR 46 -10.724 -5.933 1.532 354 HG1 THR 46 1HG THR 46 -11.895 -6.800 -0.021 355 HG21 THR 46 3HG2 THR 46 -8.293 -6.666 1.147 356 HG22 THR 46 1HG2 THR 46 -9.164 -6.031 -0.248 357 HG23 THR 46 2HG2 THR 46 -8.947 -7.769 -0.060 358 H ARG 47 H ARG 47 -12.135 -6.450 3.404 359 HA ARG 47 HA ARG 47 -13.646 -8.500 4.649 360 HB2 ARG 47 2HB ARG 47 -14.694 -5.833 3.689 361 HB3 ARG 47 1HB ARG 47 -15.298 -6.813 5.028 362 HG2 ARG 47 2HG ARG 47 -13.099 -6.516 6.180 363 HG3 ARG 47 1HG ARG 47 -12.606 -5.427 4.881 364 HD2 ARG 47 2HD ARG 47 -13.501 -4.202 6.856 365 HD3 ARG 47 1HD ARG 47 -14.446 -3.913 5.397 366 HE ARG 47 HE ARG 47 -15.535 -6.099 6.856 367 HH11 ARG 47 1HH2 ARG 47 -15.178 -2.657 6.876 368 HH12 ARG 47 2HH2 ARG 47 -16.634 -2.373 7.768 369 HH21 ARG 47 1HH1 ARG 47 -17.447 -5.734 8.025 370 HH22 ARG 47 2HH1 ARG 47 -17.920 -4.116 8.419 371 H ASP 48 H ASP 48 -13.796 -6.955 1.477 372 HA ASP 48 HA ASP 48 -16.232 -8.142 0.631 373 HB2 ASP 48 2HB ASP 48 -15.254 -6.190 -0.502 374 HB3 ASP 48 1HB ASP 48 -13.880 -7.172 -1.014 375 H GLY 49 H GLY 49 -13.211 -9.460 1.275 376 HA2 GLY 49 2HA GLY 49 -12.592 -11.704 1.188 377 HA3 GLY 49 1HA GLY 49 -13.995 -12.031 0.171 378 H THR 50 H THR 50 -11.289 -9.733 -0.245 379 HA THR 50 HA THR 50 -10.734 -10.991 -2.880 380 HB THR 50 HB THR 50 -10.294 -8.161 -1.901 381 HG1 THR 50 1HG THR 50 -11.783 -9.155 -4.087 382 HG21 THR 50 3HG2 THR 50 -9.389 -9.579 -4.411 383 HG22 THR 50 1HG2 THR 50 -8.404 -8.668 -3.268 384 HG23 THR 50 2HG2 THR 50 -9.542 -7.824 -4.319 385 H LYS 51 H LYS 51 -8.734 -11.742 -3.315 386 HA LYS 51 HA LYS 51 -6.841 -11.915 -1.089 387 HB2 LYS 51 2HB LYS 51 -7.404 -13.956 -2.322 388 HB3 LYS 51 1HB LYS 51 -6.838 -13.219 -3.823 389 HG2 LYS 51 2HG LYS 51 -4.577 -13.097 -3.004 390 HG3 LYS 51 1HG LYS 51 -5.083 -13.557 -1.377 391 HD2 LYS 51 2HD LYS 51 -5.594 -15.782 -2.049 392 HD3 LYS 51 1HD LYS 51 -5.541 -15.359 -3.762 393 HE2 LYS 51 2HE LYS 51 -3.158 -15.268 -1.888 394 HE3 LYS 51 1HE LYS 51 -3.495 -16.574 -3.025 395 HZ1 LYS 51 3HZ LYS 51 -2.795 -13.764 -3.605 396 HZ2 LYS 51 1HZ LYS 51 -3.562 -14.734 -4.765 397 HZ3 LYS 51 2HZ LYS 51 -2.040 -15.180 -4.158 398 H ILE 52 H ILE 52 -5.039 -10.775 -0.929 399 HA ILE 52 HA ILE 52 -3.846 -9.526 -3.327 400 HB ILE 52 HB ILE 52 -3.383 -7.502 -1.770 401 HG12 ILE 52 2HG1 ILE 52 -4.548 -9.033 0.144 402 HG13 ILE 52 1HG1 ILE 52 -4.539 -7.274 0.206 403 HG21 ILE 52 1HG2 ILE 52 -4.778 -7.219 -3.685 404 HG22 ILE 52 2HG2 ILE 52 -5.679 -6.545 -2.325 405 HG23 ILE 52 3HG2 ILE 52 -6.094 -8.141 -2.952 406 HD11 ILE 52 3HD1 ILE 52 -6.756 -7.137 -0.609 407 HD12 ILE 52 1HD1 ILE 52 -6.782 -8.418 0.603 408 HD13 ILE 52 2HD1 ILE 52 -6.762 -8.829 -1.113 409 H ILE 53 H ILE 53 -1.770 -10.064 -3.429 410 HA ILE 53 HA ILE 53 -0.411 -11.148 -1.065 411 HB ILE 53 HB ILE 53 0.668 -10.903 -3.880 412 HG12 ILE 53 2HG1 ILE 53 -0.991 -13.105 -2.606 413 HG13 ILE 53 1HG1 ILE 53 -1.442 -12.119 -4.000 414 HG21 ILE 53 1HG2 ILE 53 2.197 -12.612 -3.186 415 HG22 ILE 53 2HG2 ILE 53 1.292 -12.912 -1.702 416 HG23 ILE 53 3HG2 ILE 53 2.192 -11.408 -1.899 417 HD11 ILE 53 3HD1 ILE 53 0.677 -13.020 -5.128 418 HD12 ILE 53 1HD1 ILE 53 -0.645 -14.167 -4.916 419 HD13 ILE 53 2HD1 ILE 53 0.739 -14.205 -3.824 420 H MET 54 H MET 54 1.222 -10.126 0.006 421 HA MET 54 HA MET 54 1.542 -7.326 -0.321 422 HB2 MET 54 2HB MET 54 1.894 -8.631 1.815 423 HB3 MET 54 1HB MET 54 3.434 -9.171 1.143 424 HG2 MET 54 2HG MET 54 3.932 -7.232 2.458 425 HG3 MET 54 1HG MET 54 3.996 -6.720 0.779 426 HE1 MET 54 3HE MET 54 3.159 -4.643 0.113 427 HE2 MET 54 1HE MET 54 3.807 -4.172 1.691 428 HE3 MET 54 2HE MET 54 2.252 -3.545 1.150 429 H LYS 55 H LYS 55 2.024 -7.212 -2.587 430 HA LYS 55 HA LYS 55 4.464 -8.262 -3.669 431 HB2 LYS 55 2HB LYS 55 2.505 -6.165 -4.623 432 HB3 LYS 55 1HB LYS 55 3.943 -6.615 -5.543 433 HG2 LYS 55 2HG LYS 55 3.196 -8.894 -5.725 434 HG3 LYS 55 1HG LYS 55 1.856 -8.598 -4.618 435 HD2 LYS 55 2HD LYS 55 0.993 -6.888 -6.265 436 HD3 LYS 55 1HD LYS 55 2.228 -7.446 -7.392 437 HE2 LYS 55 2HE LYS 55 1.302 -9.755 -7.210 438 HE3 LYS 55 1HE LYS 55 0.017 -9.127 -6.178 439 HZ1 LYS 55 3HZ LYS 55 0.540 -8.011 -8.864 440 HZ2 LYS 55 1HZ LYS 55 -0.857 -7.861 -7.914 441 HZ3 LYS 55 2HZ LYS 55 -0.480 -9.350 -8.640 442 H GLY 56 H GLY 56 3.375 -5.024 -2.736 443 HA2 GLY 56 2HA GLY 56 5.988 -3.866 -3.127 444 HA3 GLY 56 1HA GLY 56 4.550 -3.050 -2.536 445 H ASN 57 H ASN 57 7.192 -5.198 -1.572 446 HA ASN 57 HA ASN 57 6.595 -4.927 1.248 447 HB2 ASN 57 2HB ASN 57 7.715 -6.951 0.329 448 HB3 ASN 57 1HB ASN 57 9.110 -5.955 -0.093 449 HD21 ASN 57 1HD2 ASN 57 7.545 -4.906 2.788 450 HD22 ASN 57 2HD2 ASN 57 8.630 -5.609 3.896 451 H GLU 58 H GLU 58 7.809 -2.908 -1.048 452 HA GLU 58 HA GLU 58 9.858 -1.613 0.578 453 HB2 GLU 58 2HB GLU 58 8.697 -0.945 -2.137 454 HB3 GLU 58 1HB GLU 58 10.003 -0.049 -1.359 455 HG2 GLU 58 2HG GLU 58 11.348 -2.132 -1.258 456 HG3 GLU 58 1HG GLU 58 10.054 -2.991 -2.092 457 H ILE 59 H ILE 59 7.608 -1.575 2.016 458 HA ILE 59 HA ILE 59 5.687 0.353 1.727 459 HB ILE 59 HB ILE 59 5.772 0.531 4.254 460 HG12 ILE 59 2HG1 ILE 59 7.982 -1.524 3.933 461 HG13 ILE 59 1HG1 ILE 59 8.280 0.170 4.332 462 HG21 ILE 59 1HG2 ILE 59 5.379 -2.028 4.504 463 HG22 ILE 59 2HG2 ILE 59 5.682 -2.103 2.771 464 HG23 ILE 59 3HG2 ILE 59 4.340 -1.142 3.392 465 HD11 ILE 59 3HD1 ILE 59 6.382 -1.522 5.963 466 HD12 ILE 59 1HD1 ILE 59 7.166 -0.008 6.415 467 HD13 ILE 59 2HD1 ILE 59 8.112 -1.493 6.299 468 H PHE 60 H PHE 60 9.075 0.813 2.261 469 HA PHE 60 HA PHE 60 9.229 3.314 3.422 470 HB2 PHE 60 2HB PHE 60 10.912 2.232 1.150 471 HB3 PHE 60 1HB PHE 60 11.345 3.596 2.183 472 HD1 PHE 60 1HD PHE 60 10.885 -0.056 2.025 473 HD2 PHE 60 2HD PHE 60 11.966 3.269 4.521 474 HE1 PHE 60 1HE PHE 60 11.806 -1.623 3.713 475 HE2 PHE 60 2HE PHE 60 12.887 1.701 6.210 476 HZ PHE 60 HZ PHE 60 12.807 -0.744 5.806 477 H ARG 61 H ARG 61 8.186 2.451 0.206 478 HA ARG 61 HA ARG 61 8.473 4.844 -1.161 479 HB2 ARG 61 2HB ARG 61 7.609 2.625 -2.055 480 HB3 ARG 61 1HB ARG 61 6.044 3.063 -1.376 481 HG2 ARG 61 2HG ARG 61 5.814 3.894 -3.542 482 HG3 ARG 61 1HG ARG 61 6.426 5.322 -2.712 483 HD2 ARG 61 2HD ARG 61 7.618 4.901 -4.848 484 HD3 ARG 61 1HD ARG 61 8.704 4.814 -3.468 485 HE ARG 61 HE ARG 61 7.700 2.228 -4.036 486 HH11 ARG 61 1HH2 ARG 61 9.796 4.684 -5.278 487 HH12 ARG 61 2HH2 ARG 61 10.832 3.573 -6.109 488 HH21 ARG 61 1HH1 ARG 61 9.056 0.765 -5.120 489 HH22 ARG 61 2HH1 ARG 61 10.415 1.354 -6.018 490 H LEU 62 H LEU 62 5.687 3.814 0.843 491 HA LEU 62 HA LEU 62 4.081 6.043 0.535 492 HB2 LEU 62 2HB LEU 62 3.285 4.130 1.769 493 HB3 LEU 62 1HB LEU 62 4.549 4.320 2.981 494 HG LEU 62 HG LEU 62 3.574 6.398 3.766 495 HD11 LEU 62 1HD1 LEU 62 2.776 7.483 1.823 496 HD12 LEU 62 2HD1 LEU 62 1.302 7.066 2.696 497 HD13 LEU 62 3HD1 LEU 62 1.823 6.085 1.325 498 HD21 LEU 62 3HD2 LEU 62 1.263 4.500 3.329 499 HD22 LEU 62 1HD2 LEU 62 1.558 5.550 4.715 500 HD23 LEU 62 2HD2 LEU 62 2.578 4.136 4.446 501 H ASP 63 H ASP 63 6.633 5.543 2.976 502 HA ASP 63 HA ASP 63 7.780 7.028 4.305 503 HB2 ASP 63 2HB ASP 63 8.713 7.678 2.143 504 HB3 ASP 63 1HB ASP 63 7.363 8.779 1.871 505 H GLU 64 H GLU 64 6.504 9.903 3.010 506 HA GLU 64 HA GLU 64 4.144 10.163 4.570 507 HB2 GLU 64 2HB GLU 64 5.834 10.135 6.407 508 HB3 GLU 64 1HB GLU 64 6.580 11.565 5.692 509 HG2 GLU 64 2HG GLU 64 4.552 12.852 5.999 510 HG3 GLU 64 1HG GLU 64 3.673 11.420 6.532 511 H ALA 65 H ALA 65 3.769 10.868 2.306 512 HA ALA 65 HA ALA 65 3.656 13.703 2.144 513 HB1 ALA 65 1HB ALA 65 5.636 12.351 0.294 514 HB2 ALA 65 2HB ALA 65 6.047 13.457 1.606 515 HB3 ALA 65 3HB ALA 65 5.137 14.041 0.212 516 H LEU 66 H LEU 66 2.299 14.398 0.494 517 HA LEU 66 HA LEU 66 0.535 12.416 -0.586 518 HB2 LEU 66 2HB LEU 66 0.767 15.409 -0.882 519 HB3 LEU 66 1HB LEU 66 -0.403 14.484 -1.819 520 HG LEU 66 HG LEU 66 -1.448 13.643 0.201 521 HD11 LEU 66 1HD1 LEU 66 0.356 13.316 1.704 522 HD12 LEU 66 2HD1 LEU 66 -0.583 14.617 2.432 523 HD13 LEU 66 3HD1 LEU 66 0.898 14.987 1.551 524 HD21 LEU 66 3HD2 LEU 66 -2.254 15.765 1.171 525 HD22 LEU 66 1HD2 LEU 66 -2.139 15.885 -0.584 526 HD23 LEU 66 2HD2 LEU 66 -0.900 16.621 0.433 527 H ARG 67 H ARG 67 3.312 14.170 -1.763 528 HA ARG 67 HA ARG 67 3.570 12.440 -4.030 529 HB2 ARG 67 2HB ARG 67 3.381 14.206 -5.762 530 HB3 ARG 67 1HB ARG 67 1.844 13.905 -4.948 531 HG2 ARG 67 2HG ARG 67 2.309 15.833 -3.434 532 HG3 ARG 67 1HG ARG 67 3.776 16.167 -4.358 533 HD2 ARG 67 2HD ARG 67 2.412 16.450 -6.404 534 HD3 ARG 67 1HD ARG 67 0.954 16.146 -5.465 535 HE ARG 67 HE ARG 67 2.313 18.247 -4.219 536 HH11 ARG 67 1HH2 ARG 67 0.797 17.511 -7.241 537 HH12 ARG 67 2HH2 ARG 67 0.330 19.148 -7.562 538 HH21 ARG 67 1HH1 ARG 67 1.703 20.395 -4.632 539 HH22 ARG 67 2HH1 ARG 67 0.843 20.781 -6.085 540 H LYS 68 H LYS 68 5.239 13.833 -5.634 541 HA LYS 68 HA LYS 68 7.163 15.422 -4.254 542 HB2 LYS 68 2HB LYS 68 7.536 13.112 -3.253 543 HB3 LYS 68 1HB LYS 68 8.079 12.608 -4.855 544 HG2 LYS 68 2HG LYS 68 9.681 14.618 -4.762 545 HG3 LYS 68 1HG LYS 68 9.304 14.691 -3.040 546 HD2 LYS 68 2HD LYS 68 10.506 12.345 -4.536 547 HD3 LYS 68 1HD LYS 68 11.307 13.350 -3.328 548 HE2 LYS 68 2HE LYS 68 10.655 11.436 -2.110 549 HE3 LYS 68 1HE LYS 68 9.391 12.608 -1.741 550 HZ1 LYS 68 3HZ LYS 68 8.839 11.126 -4.121 551 HZ2 LYS 68 1HZ LYS 68 7.873 11.357 -2.745 552 HZ3 LYS 68 2HZ LYS 68 9.026 10.108 -2.773 553 H GLY 69 H GLY 69 6.266 13.371 -6.938 554 HA2 GLY 69 2HA GLY 69 7.108 15.211 -8.899 555 HA3 GLY 69 1HA GLY 69 8.344 13.966 -8.732 556 H HIS 70 H HIS 70 5.732 14.801 -10.501 557 HA HIS 70 HA HIS 70 4.187 12.465 -10.724 558 HB2 HIS 70 2HB HIS 70 4.834 14.523 -12.849 559 HB3 HIS 70 1HB HIS 70 3.519 13.348 -12.925 560 HD2 HIS 70 2HD HIS 70 4.529 16.383 -10.545 561 HE1 HIS 70 1HE HIS 70 0.347 15.829 -10.395 562 HE2 HIS 70 2HE HIS 70 2.270 17.280 -9.593 563 H SER 71 H SER 71 6.385 13.543 -13.300 564 HA SER 71 HA SER 71 6.711 10.971 -14.403 565 HB2 SER 71 2HB SER 71 7.146 12.993 -15.699 566 HB3 SER 71 1HB SER 71 8.482 13.416 -14.634 567 HG SER 71 HG SER 71 8.292 11.461 -16.607 568 H GLU 72 H GLU 72 7.519 9.330 -13.235 569 HA GLU 72 HA GLU 72 8.949 8.087 -11.932 570 HB2 GLU 72 2HB GLU 72 10.482 8.522 -13.788 571 HB3 GLU 72 1HB GLU 72 10.954 10.057 -13.059 572 HG2 GLU 72 2HG GLU 72 11.954 8.959 -11.180 573 HG3 GLU 72 1HG GLU 72 11.252 7.407 -11.632 574 H GLY 73 H GLY 73 10.796 11.069 -11.557 575 HA2 GLY 73 2HA GLY 73 11.268 12.367 -9.715 576 HA3 GLY 73 1HA GLY 73 9.701 11.882 -9.074 577 H GLY 74 H GLY 74 9.571 9.789 -7.976 578 HA2 GLY 74 2HA GLY 74 11.563 9.458 -6.023 579 HA3 GLY 74 1HA GLY 74 10.280 8.302 -6.369 580 H1 HOH 201 H2 HOH 77 1.139 12.130 -9.086 581 H2 HOH 201 H1 HOH 77 0.806 13.453 -8.426 Start of MODEL 7 1 H1 VAL 1 1H VAL 1 -2.592 13.301 -5.401 2 H2 VAL 1 2H VAL 1 -1.254 13.615 -6.400 3 HA VAL 1 HA VAL 1 -1.297 14.211 -3.820 4 HB VAL 1 HB VAL 1 0.009 15.832 -6.026 5 HG11 VAL 1 2HG1 VAL 1 0.570 15.535 -3.068 6 HG12 VAL 1 3HG1 VAL 1 0.265 17.021 -3.965 7 HG13 VAL 1 1HG1 VAL 1 1.773 16.139 -4.208 8 HG21 VAL 1 1HG2 VAL 1 1.936 14.242 -5.473 9 HG22 VAL 1 2HG2 VAL 1 0.572 13.526 -6.331 10 HG23 VAL 1 3HG2 VAL 1 0.755 13.271 -4.596 11 H ASP 2 H ASP 2 -3.355 15.026 -3.166 12 HA ASP 2 HA ASP 2 -3.458 17.818 -2.793 13 HB2 ASP 2 2HB ASP 2 -5.585 18.201 -4.153 14 HB3 ASP 2 1HB ASP 2 -4.081 18.089 -5.066 15 H MET 3 H MET 3 -6.044 18.341 -2.327 16 HA MET 3 HA MET 3 -6.624 17.104 0.085 17 HB2 MET 3 2HB MET 3 -8.905 18.034 -0.178 18 HB3 MET 3 1HB MET 3 -7.659 19.213 -0.587 19 HG2 MET 3 2HG MET 3 -7.929 18.566 -2.999 20 HG3 MET 3 1HG MET 3 -9.293 17.554 -2.525 21 HE1 MET 3 3HE MET 3 -11.428 20.232 -4.047 22 HE2 MET 3 1HE MET 3 -11.154 18.512 -3.746 23 HE3 MET 3 2HE MET 3 -9.978 19.446 -4.665 24 H SER 4 H SER 4 -7.404 16.105 -3.173 25 HA SER 4 HA SER 4 -9.351 14.134 -2.418 26 HB2 SER 4 2HB SER 4 -7.744 14.310 -4.974 27 HB3 SER 4 1HB SER 4 -9.247 13.426 -4.729 28 HG SER 4 HG SER 4 -9.795 15.814 -3.941 29 H ASN 5 H ASN 5 -5.914 14.042 -3.329 30 HA ASN 5 HA ASN 5 -4.320 12.399 -3.104 31 HB2 ASN 5 2HB ASN 5 -4.794 12.924 -0.715 32 HB3 ASN 5 1HB ASN 5 -5.994 11.632 -0.702 33 HD21 ASN 5 1HD2 ASN 5 -2.509 12.147 -1.488 34 HD22 ASN 5 2HD2 ASN 5 -2.017 10.613 -0.953 35 H VAL 6 H VAL 6 -5.876 11.661 -5.071 36 HA VAL 6 HA VAL 6 -7.382 9.290 -4.762 37 HB VAL 6 HB VAL 6 -5.891 10.228 -7.224 38 HG11 VAL 6 1HG1 VAL 6 -6.695 7.968 -7.482 39 HG12 VAL 6 2HG1 VAL 6 -7.808 9.024 -8.351 40 HG13 VAL 6 3HG1 VAL 6 -8.253 8.385 -6.768 41 HG21 VAL 6 3HG2 VAL 6 -7.287 12.036 -6.409 42 HG22 VAL 6 1HG2 VAL 6 -8.633 10.932 -6.133 43 HG23 VAL 6 2HG2 VAL 6 -8.108 11.290 -7.778 44 H VAL 7 H VAL 7 -6.685 7.344 -4.185 45 HA VAL 7 HA VAL 7 -4.237 6.244 -5.327 46 HB VAL 7 HB VAL 7 -3.365 5.577 -3.090 47 HG11 VAL 7 1HG1 VAL 7 -2.303 7.664 -2.644 48 HG12 VAL 7 2HG1 VAL 7 -3.679 8.581 -3.254 49 HG13 VAL 7 3HG1 VAL 7 -2.654 7.682 -4.372 50 HG21 VAL 7 3HG2 VAL 7 -4.248 6.855 -1.120 51 HG22 VAL 7 1HG2 VAL 7 -5.424 5.728 -1.798 52 HG23 VAL 7 2HG2 VAL 7 -5.555 7.453 -2.143 53 H LYS 8 H LYS 8 -3.947 3.956 -4.040 54 HA LYS 8 HA LYS 8 -6.522 2.578 -4.459 55 HB2 LYS 8 2HB LYS 8 -4.610 1.773 -5.758 56 HB3 LYS 8 1HB LYS 8 -3.693 1.507 -4.278 57 HG2 LYS 8 2HG LYS 8 -4.787 -0.453 -3.792 58 HG3 LYS 8 1HG LYS 8 -6.359 0.186 -4.281 59 HD2 LYS 8 2HD LYS 8 -4.273 -0.462 -6.367 60 HD3 LYS 8 1HD LYS 8 -5.286 -1.736 -5.694 61 HE2 LYS 8 2HE LYS 8 -7.309 -0.447 -6.336 62 HE3 LYS 8 1HE LYS 8 -6.274 0.784 -7.062 63 HZ1 LYS 8 3HZ LYS 8 -6.512 -0.457 -8.893 64 HZ2 LYS 8 1HZ LYS 8 -6.977 -1.845 -8.035 65 HZ3 LYS 8 2HZ LYS 8 -5.330 -1.455 -8.188 66 H THR 9 H THR 9 -7.324 1.086 -2.949 67 HA THR 9 HA THR 9 -6.043 0.893 -0.330 68 HB THR 9 HB THR 9 -7.577 2.972 -0.420 69 HG1 THR 9 1HG THR 9 -7.845 2.675 1.668 70 HG21 THR 9 3HG2 THR 9 -9.924 2.634 -0.262 71 HG22 THR 9 1HG2 THR 9 -9.733 0.894 -0.038 72 HG23 THR 9 2HG2 THR 9 -9.411 1.622 -1.613 73 H TYR 10 H TYR 10 -6.737 -0.861 0.885 74 HA TYR 10 HA TYR 10 -8.756 -2.658 -0.299 75 HB2 TYR 10 2HB TYR 10 -5.896 -3.326 0.378 76 HB3 TYR 10 1HB TYR 10 -7.141 -4.564 0.313 77 HD1 TYR 10 2HD TYR 10 -8.722 -4.338 -1.889 78 HD2 TYR 10 1HD TYR 10 -4.647 -3.003 -1.570 79 HE1 TYR 10 2HE TYR 10 -8.489 -4.448 -4.354 80 HE2 TYR 10 1HE TYR 10 -4.417 -3.119 -4.032 81 HH TYR 10 HH TYR 10 -6.881 -4.559 -6.044 82 H ASP 11 H ASP 11 -10.213 -2.287 1.363 83 HA ASP 11 HA ASP 11 -9.698 -2.008 4.062 84 HB2 ASP 11 2HB ASP 11 -12.043 -3.314 2.680 85 HB3 ASP 11 1HB ASP 11 -11.991 -2.947 4.404 86 H LEU 12 H LEU 12 -7.995 -3.373 4.645 87 HA LEU 12 HA LEU 12 -8.063 -6.201 4.367 88 HB2 LEU 12 2HB LEU 12 -6.239 -4.212 5.313 89 HB3 LEU 12 1HB LEU 12 -6.417 -5.382 6.610 90 HG LEU 12 HG LEU 12 -5.752 -7.201 5.135 91 HD11 LEU 12 1HD1 LEU 12 -6.407 -6.912 2.959 92 HD12 LEU 12 2HD1 LEU 12 -4.797 -6.228 2.777 93 HD13 LEU 12 3HD1 LEU 12 -6.186 -5.164 3.002 94 HD21 LEU 12 3HD2 LEU 12 -3.934 -6.060 6.193 95 HD22 LEU 12 1HD2 LEU 12 -3.989 -4.743 5.021 96 HD23 LEU 12 2HD2 LEU 12 -3.435 -6.339 4.525 97 H GLN 13 H GLN 13 -8.368 -7.798 5.974 98 HA GLN 13 HA GLN 13 -10.581 -7.212 7.736 99 HB2 GLN 13 2HB GLN 13 -10.533 -9.604 8.239 100 HB3 GLN 13 1HB GLN 13 -10.463 -9.334 6.497 101 HG2 GLN 13 2HG GLN 13 -8.778 -10.923 6.826 102 HG3 GLN 13 1HG GLN 13 -7.869 -9.415 6.827 103 HE21 GLN 13 1HE2 GLN 13 -6.771 -8.836 8.761 104 HE22 GLN 13 2HE2 GLN 13 -6.817 -9.777 10.180 105 H ASP 14 H ASP 14 -7.279 -6.874 7.982 106 HA ASP 14 HA ASP 14 -7.102 -7.546 10.833 107 HB2 ASP 14 2HB ASP 14 -5.218 -8.144 9.379 108 HB3 ASP 14 1HB ASP 14 -5.034 -6.452 8.911 109 H GLY 15 H GLY 15 -8.501 -5.130 9.309 110 HA2 GLY 15 2HA GLY 15 -9.213 -3.083 10.177 111 HA3 GLY 15 1HA GLY 15 -8.005 -3.228 11.455 112 H SER 16 H SER 16 -6.080 -3.929 9.126 113 HA SER 16 HA SER 16 -5.116 -1.213 8.762 114 HB2 SER 16 2HB SER 16 -4.007 -3.828 7.722 115 HB3 SER 16 1HB SER 16 -3.175 -2.273 7.741 116 HG SER 16 HG SER 16 -3.695 -4.066 9.787 117 H LYS 17 H LYS 17 -4.003 -1.122 6.336 118 HA LYS 17 HA LYS 17 -5.884 -1.919 4.265 119 HB2 LYS 17 2HB LYS 17 -5.469 0.990 4.996 120 HB3 LYS 17 1HB LYS 17 -6.193 0.445 3.484 121 HG2 LYS 17 2HG LYS 17 -7.856 -0.866 4.933 122 HG3 LYS 17 1HG LYS 17 -7.251 0.082 6.288 123 HD2 LYS 17 2HD LYS 17 -7.786 2.166 5.005 124 HD3 LYS 17 1HD LYS 17 -8.527 1.158 3.761 125 HE2 LYS 17 2HE LYS 17 -9.359 1.073 6.671 126 HE3 LYS 17 1HE LYS 17 -10.146 2.098 5.471 127 HZ1 LYS 17 3HZ LYS 17 -9.941 -0.862 5.443 128 HZ2 LYS 17 1HZ LYS 17 -10.526 0.055 4.142 129 HZ3 LYS 17 2HZ LYS 17 -11.351 0.067 5.627 130 H VAL 18 H VAL 18 -4.794 -2.324 2.444 131 HA VAL 18 HA VAL 18 -1.989 -1.470 2.269 132 HB VAL 18 HB VAL 18 -3.066 -3.148 0.067 133 HG11 VAL 18 1HG1 VAL 18 -0.637 -2.625 0.572 134 HG12 VAL 18 2HG1 VAL 18 -1.018 -4.332 0.352 135 HG13 VAL 18 3HG1 VAL 18 -0.789 -3.683 1.975 136 HG21 VAL 18 3HG2 VAL 18 -2.910 -4.309 2.862 137 HG22 VAL 18 1HG2 VAL 18 -3.253 -5.192 1.372 138 HG23 VAL 18 2HG2 VAL 18 -4.409 -4.015 1.985 139 H HIS 19 H HIS 19 -1.210 -0.122 0.647 140 HA HIS 19 HA HIS 19 -3.156 0.920 -1.330 141 HB2 HIS 19 2HB HIS 19 -2.824 3.140 -0.756 142 HB3 HIS 19 1HB HIS 19 -2.687 2.393 0.829 143 HD1 HIS 19 1HD HIS 19 -1.052 4.813 -1.137 144 HD2 HIS 19 2HD HIS 19 0.351 1.665 1.211 145 HE1 HIS 19 1HE HIS 19 1.369 5.331 -0.614 146 HE2 HIS 19 2HE HIS 19 2.238 3.418 0.814 147 H VAL 20 H VAL 20 -2.366 0.646 -3.336 148 HA VAL 20 HA VAL 20 0.503 0.217 -3.653 149 HB VAL 20 HB VAL 20 0.051 -0.983 -5.557 150 HG11 VAL 20 1HG1 VAL 20 -2.807 -1.178 -4.692 151 HG12 VAL 20 2HG1 VAL 20 -1.576 -1.610 -3.518 152 HG13 VAL 20 3HG1 VAL 20 -1.658 -2.457 -5.060 153 HG21 VAL 20 3HG2 VAL 20 -0.787 0.731 -6.986 154 HG22 VAL 20 1HG2 VAL 20 -2.251 0.928 -6.022 155 HG23 VAL 20 2HG2 VAL 20 -2.019 -0.527 -6.990 156 H PHE 21 H PHE 21 1.733 1.213 -5.315 157 HA PHE 21 HA PHE 21 1.045 4.060 -5.663 158 HB2 PHE 21 2HB PHE 21 3.668 2.573 -5.956 159 HB3 PHE 21 1HB PHE 21 3.455 4.309 -6.169 160 HD1 PHE 21 1HD PHE 21 3.241 1.524 -3.728 161 HD2 PHE 21 2HD PHE 21 3.236 5.783 -4.285 162 HE1 PHE 21 1HE PHE 21 3.455 1.844 -1.279 163 HE2 PHE 21 2HE PHE 21 3.452 6.104 -1.834 164 HZ PHE 21 HZ PHE 21 3.560 4.132 -0.332 165 H LYS 22 H LYS 22 2.723 4.630 -7.796 166 HA LYS 22 HA LYS 22 1.090 3.775 -10.015 167 HB2 LYS 22 2HB LYS 22 2.095 6.082 -9.757 168 HB3 LYS 22 1HB LYS 22 3.662 5.359 -10.122 169 HG2 LYS 22 2HG LYS 22 2.852 4.584 -12.284 170 HG3 LYS 22 1HG LYS 22 1.228 5.166 -11.919 171 HD2 LYS 22 2HD LYS 22 2.079 7.477 -11.783 172 HD3 LYS 22 1HD LYS 22 3.706 6.900 -12.146 173 HE2 LYS 22 2HE LYS 22 2.866 5.988 -14.308 174 HE3 LYS 22 1HE LYS 22 1.282 6.679 -13.953 175 HZ1 LYS 22 3HZ LYS 22 2.585 8.849 -13.657 176 HZ2 LYS 22 1HZ LYS 22 2.296 8.295 -15.233 177 HZ3 LYS 22 2HZ LYS 22 3.821 8.067 -14.521 178 H ASP 23 H ASP 23 3.949 2.672 -8.502 179 HA ASP 23 HA ASP 23 5.108 1.404 -10.821 180 HB2 ASP 23 2HB ASP 23 6.432 2.153 -8.827 181 HB3 ASP 23 1HB ASP 23 5.673 0.858 -7.901 182 H GLY 24 H GLY 24 2.410 0.770 -9.012 183 HA2 GLY 24 2HA GLY 24 0.940 -1.026 -9.208 184 HA3 GLY 24 1HA GLY 24 2.187 -1.921 -10.073 185 H LYS 25 H LYS 25 3.771 -0.789 -7.474 186 HA LYS 25 HA LYS 25 3.631 -3.340 -6.082 187 HB2 LYS 25 2HB LYS 25 5.280 -0.831 -5.846 188 HB3 LYS 25 1HB LYS 25 5.286 -1.997 -4.532 189 HG2 LYS 25 2HG LYS 25 5.880 -3.780 -6.233 190 HG3 LYS 25 1HG LYS 25 6.092 -2.480 -7.408 191 HD2 LYS 25 2HD LYS 25 7.797 -1.443 -5.983 192 HD3 LYS 25 1HD LYS 25 7.560 -2.694 -4.764 193 HE2 LYS 25 2HE LYS 25 8.305 -3.393 -7.605 194 HE3 LYS 25 1HE LYS 25 9.532 -3.003 -6.400 195 HZ1 LYS 25 3HZ LYS 25 9.236 -5.331 -6.358 196 HZ2 LYS 25 1HZ LYS 25 7.545 -5.199 -6.313 197 HZ3 LYS 25 2HZ LYS 25 8.468 -4.732 -4.966 198 H MET 26 H MET 26 2.857 -3.667 -3.996 199 HA MET 26 HA MET 26 0.702 -1.939 -3.178 200 HB2 MET 26 2HB MET 26 1.816 -4.545 -2.190 201 HB3 MET 26 1HB MET 26 0.673 -3.640 -1.196 202 HG2 MET 26 2HG MET 26 -1.013 -3.736 -2.857 203 HG3 MET 26 1HG MET 26 0.123 -4.259 -4.100 204 HE1 MET 26 3HE MET 26 -1.420 -7.556 -4.241 205 HE2 MET 26 1HE MET 26 0.063 -6.797 -4.843 206 HE3 MET 26 2HE MET 26 -1.448 -5.886 -4.804 207 H GLY 27 H GLY 27 0.624 -1.820 -0.562 208 HA2 GLY 27 2HA GLY 27 3.120 -0.981 0.637 209 HA3 GLY 27 1HA GLY 27 2.043 0.358 0.251 210 H MET 28 H MET 28 2.864 -1.897 2.579 211 HA MET 28 HA MET 28 0.278 -2.278 3.761 212 HB2 MET 28 2HB MET 28 2.304 -3.827 3.945 213 HB3 MET 28 1HB MET 28 2.945 -2.675 5.109 214 HG2 MET 28 2HG MET 28 1.761 -4.401 6.326 215 HG3 MET 28 1HG MET 28 0.842 -2.904 6.421 216 HE1 MET 28 3HE MET 28 -0.848 -4.091 7.332 217 HE2 MET 28 1HE MET 28 -1.762 -5.444 6.666 218 HE3 MET 28 2HE MET 28 -2.198 -3.792 6.243 219 H GLU 29 H GLU 29 -0.638 -1.259 5.468 220 HA GLU 29 HA GLU 29 0.792 0.740 7.007 221 HB2 GLU 29 2HB GLU 29 0.195 2.071 5.055 222 HB3 GLU 29 1HB GLU 29 -1.479 1.529 5.163 223 HG2 GLU 29 2HG GLU 29 -1.811 2.672 7.240 224 HG3 GLU 29 1HG GLU 29 -0.086 2.979 7.422 225 H ASN 30 H ASN 30 0.154 0.282 9.016 226 HA ASN 30 HA ASN 30 -2.259 -1.137 9.579 227 HB2 ASN 30 2HB ASN 30 -1.592 -1.046 11.868 228 HB3 ASN 30 1HB ASN 30 -0.121 -1.249 10.921 229 HD21 ASN 30 1HD2 ASN 30 -0.304 1.677 10.037 230 HD22 ASN 30 2HD2 ASN 30 0.253 2.550 11.387 231 H LYS 31 H LYS 31 -3.973 -0.403 10.994 232 HA LYS 31 HA LYS 31 -5.360 1.787 10.110 233 HB2 LYS 31 2HB LYS 31 -6.732 1.597 12.105 234 HB3 LYS 31 1HB LYS 31 -6.296 -0.010 11.529 235 HG2 LYS 31 2HG LYS 31 -5.662 -0.380 13.706 236 HG3 LYS 31 1HG LYS 31 -4.200 0.491 13.250 237 HD2 LYS 31 2HD LYS 31 -5.136 2.582 14.098 238 HD3 LYS 31 1HD LYS 31 -6.676 1.793 14.431 239 HE2 LYS 31 2HE LYS 31 -5.377 1.959 16.493 240 HE3 LYS 31 1HE LYS 31 -5.523 0.267 16.015 241 HZ1 LYS 31 3HZ LYS 31 -3.185 1.877 16.271 242 HZ2 LYS 31 1HZ LYS 31 -3.281 1.172 14.732 243 HZ3 LYS 31 2HZ LYS 31 -3.321 0.191 16.117 244 H PHE 32 H PHE 32 -2.656 1.771 12.263 245 HA PHE 32 HA PHE 32 -3.211 4.367 13.412 246 HB2 PHE 32 2HB PHE 32 -1.816 2.402 14.420 247 HB3 PHE 32 1HB PHE 32 -0.502 3.044 13.433 248 HD1 PHE 32 1HD PHE 32 -2.849 3.781 16.198 249 HD2 PHE 32 2HD PHE 32 0.549 5.158 13.959 250 HE1 PHE 32 1HE PHE 32 -2.438 5.538 17.901 251 HE2 PHE 32 2HE PHE 32 0.960 6.914 15.661 252 HZ PHE 32 HZ PHE 32 -0.533 7.104 17.633 253 H GLY 33 H GLY 33 -2.663 3.691 10.373 254 HA2 GLY 33 2HA GLY 33 -1.891 4.911 8.577 255 HA3 GLY 33 1HA GLY 33 -1.633 6.249 9.696 256 H LYS 34 H LYS 34 -0.053 3.631 10.934 257 HA LYS 34 HA LYS 34 2.548 4.648 10.069 258 HB2 LYS 34 2HB LYS 34 2.011 4.084 12.476 259 HB3 LYS 34 1HB LYS 34 1.976 2.388 11.994 260 HG2 LYS 34 2HG LYS 34 4.285 2.534 11.198 261 HG3 LYS 34 1HG LYS 34 4.331 4.253 11.588 262 HD2 LYS 34 2HD LYS 34 4.080 3.795 13.947 263 HD3 LYS 34 1HD LYS 34 3.789 2.085 13.632 264 HE2 LYS 34 2HE LYS 34 6.099 2.379 14.353 265 HE3 LYS 34 1HE LYS 34 6.079 1.917 12.650 266 HZ1 LYS 34 3HZ LYS 34 7.497 3.932 13.475 267 HZ2 LYS 34 1HZ LYS 34 6.025 4.767 13.334 268 HZ3 LYS 34 2HZ LYS 34 6.694 3.991 11.978 269 H SER 35 H SER 35 4.057 3.495 8.919 270 HA SER 35 HA SER 35 3.036 1.382 7.222 271 HB2 SER 35 2HB SER 35 5.875 2.395 7.351 272 HB3 SER 35 1HB SER 35 5.059 1.618 5.997 273 HG SER 35 HG SER 35 3.670 3.766 6.830 274 H MET 36 H MET 36 3.087 -0.702 7.743 275 HA MET 36 HA MET 36 5.063 -1.653 9.743 276 HB2 MET 36 2HB MET 36 2.305 -2.586 8.953 277 HB3 MET 36 1HB MET 36 3.426 -3.679 9.769 278 HG2 MET 36 2HG MET 36 2.721 -0.931 10.834 279 HG3 MET 36 1HG MET 36 1.872 -2.404 11.311 280 HE1 MET 36 3HE MET 36 3.821 -1.970 14.503 281 HE2 MET 36 1HE MET 36 2.270 -2.068 13.658 282 HE3 MET 36 2HE MET 36 3.250 -0.609 13.540 283 H ASN 37 H ASN 37 6.498 -3.210 9.230 284 HA ASN 37 HA ASN 37 6.896 -3.820 6.437 285 HB2 ASN 37 2HB ASN 37 8.835 -3.395 7.815 286 HB3 ASN 37 1HB ASN 37 8.374 -4.676 8.933 287 HD21 ASN 37 1HD2 ASN 37 7.635 -5.606 5.745 288 HD22 ASN 37 2HD2 ASN 37 9.024 -6.541 5.442 289 H MET 38 H MET 38 5.191 -5.110 5.767 290 HA MET 38 HA MET 38 4.651 -7.620 7.169 291 HB2 MET 38 2HB MET 38 2.707 -6.481 6.413 292 HB3 MET 38 1HB MET 38 3.374 -6.265 4.794 293 HG2 MET 38 2HG MET 38 3.188 -8.594 4.315 294 HG3 MET 38 1HG MET 38 2.939 -8.996 6.005 295 HE1 MET 38 3HE MET 38 0.851 -9.541 6.936 296 HE2 MET 38 1HE MET 38 -0.644 -8.616 6.727 297 HE3 MET 38 2HE MET 38 0.797 -7.837 7.381 298 HA PRO 39 HA PRO 39 7.894 -9.519 4.563 299 HB2 PRO 39 2HB PRO 39 6.375 -11.983 5.363 300 HB3 PRO 39 1HB PRO 39 8.126 -11.683 5.383 301 HG2 PRO 39 2HG PRO 39 6.691 -11.639 7.630 302 HG3 PRO 39 1HG PRO 39 8.039 -10.516 7.371 303 HD2 PRO 39 2HD PRO 39 5.100 -9.968 7.302 304 HD3 PRO 39 1HD PRO 39 6.439 -8.897 7.746 305 H GLU 40 H GLU 40 7.906 -10.102 2.424 306 HA GLU 40 HA GLU 40 5.566 -9.851 0.880 307 HB2 GLU 40 2HB GLU 40 7.894 -9.480 0.044 308 HB3 GLU 40 1HB GLU 40 8.150 -11.225 0.099 309 HG2 GLU 40 2HG GLU 40 5.826 -10.037 -1.420 310 HG3 GLU 40 1HG GLU 40 7.418 -10.183 -2.155 311 H GLY 41 H GLY 41 3.993 -11.257 0.460 312 HA2 GLY 41 2HA GLY 41 3.307 -13.463 -0.303 313 HA3 GLY 41 1HA GLY 41 4.519 -14.164 0.765 314 H LYS 42 H LYS 42 3.548 -11.924 2.755 315 HA LYS 42 HA LYS 42 1.829 -13.645 4.240 316 HB2 LYS 42 2HB LYS 42 2.917 -10.884 4.574 317 HB3 LYS 42 1HB LYS 42 1.460 -11.266 5.485 318 HG2 LYS 42 2HG LYS 42 3.779 -13.194 5.523 319 HG3 LYS 42 1HG LYS 42 3.832 -11.755 6.536 320 HD2 LYS 42 2HD LYS 42 1.900 -12.392 7.752 321 HD3 LYS 42 1HD LYS 42 1.442 -13.599 6.551 322 HE2 LYS 42 2HE LYS 42 2.419 -14.689 8.526 323 HE3 LYS 42 1HE LYS 42 3.460 -14.919 7.121 324 HZ1 LYS 42 3HZ LYS 42 4.932 -13.271 7.870 325 HZ2 LYS 42 1HZ LYS 42 4.590 -14.211 9.239 326 HZ3 LYS 42 2HZ LYS 42 3.843 -12.698 9.041 327 H VAL 43 H VAL 43 0.398 -14.016 2.419 328 HA VAL 43 HA VAL 43 -1.275 -12.462 1.051 329 HB VAL 43 HB VAL 43 -2.271 -14.852 2.596 330 HG11 VAL 43 1HG1 VAL 43 -3.052 -13.632 -0.072 331 HG12 VAL 43 2HG1 VAL 43 -4.010 -13.585 1.408 332 HG13 VAL 43 3HG1 VAL 43 -3.716 -15.123 0.596 333 HG21 VAL 43 3HG2 VAL 43 -0.598 -14.617 0.084 334 HG22 VAL 43 1HG2 VAL 43 -1.536 -16.061 0.461 335 HG23 VAL 43 2HG2 VAL 43 -0.241 -15.546 1.539 336 H MET 44 H MET 44 -2.790 -10.980 1.338 337 HA MET 44 HA MET 44 -3.964 -10.622 4.046 338 HB2 MET 44 2HB MET 44 -3.783 -8.505 1.907 339 HB3 MET 44 1HB MET 44 -4.134 -8.299 3.604 340 HG2 MET 44 2HG MET 44 -1.885 -8.695 4.229 341 HG3 MET 44 1HG MET 44 -1.482 -9.399 2.668 342 HE1 MET 44 3HE MET 44 -2.610 -7.231 0.416 343 HE2 MET 44 1HE MET 44 -1.273 -8.367 0.607 344 HE3 MET 44 2HE MET 44 -0.954 -6.672 0.265 345 H GLU 45 H GLU 45 -6.225 -10.300 4.138 346 HA GLU 45 HA GLU 45 -7.708 -10.764 1.601 347 HB2 GLU 45 2HB GLU 45 -7.592 -12.840 2.949 348 HB3 GLU 45 1HB GLU 45 -8.343 -11.983 4.298 349 HG2 GLU 45 2HG GLU 45 -10.356 -11.597 3.029 350 HG3 GLU 45 1HG GLU 45 -9.602 -12.199 1.551 351 H THR 46 H THR 46 -9.107 -9.199 1.183 352 HA THR 46 HA THR 46 -9.797 -7.265 3.221 353 HB THR 46 HB THR 46 -10.745 -5.981 1.480 354 HG1 THR 46 1HG THR 46 -10.588 -8.106 -0.333 355 HG21 THR 46 3HG2 THR 46 -8.990 -5.926 -0.185 356 HG22 THR 46 1HG2 THR 46 -8.535 -7.591 0.178 357 HG23 THR 46 2HG2 THR 46 -8.262 -6.322 1.372 358 H ARG 47 H ARG 47 -12.110 -6.552 3.438 359 HA ARG 47 HA ARG 47 -13.677 -8.556 4.559 360 HB2 ARG 47 2HB ARG 47 -14.442 -5.855 3.436 361 HB3 ARG 47 1HB ARG 47 -15.567 -6.890 4.318 362 HG2 ARG 47 2HG ARG 47 -14.011 -6.907 6.249 363 HG3 ARG 47 1HG ARG 47 -12.928 -5.828 5.371 364 HD2 ARG 47 2HD ARG 47 -14.579 -4.077 5.333 365 HD3 ARG 47 1HD ARG 47 -15.821 -5.160 5.957 366 HE ARG 47 HE ARG 47 -15.024 -4.710 8.080 367 HH11 ARG 47 1HH2 ARG 47 -12.588 -4.061 5.709 368 HH12 ARG 47 2HH2 ARG 47 -11.451 -3.425 6.851 369 HH21 ARG 47 1HH1 ARG 47 -13.538 -3.877 9.582 370 HH22 ARG 47 2HH1 ARG 47 -11.991 -3.320 9.043 371 H ASP 48 H ASP 48 -13.675 -7.272 1.265 372 HA ASP 48 HA ASP 48 -15.981 -8.732 0.406 373 HB2 ASP 48 2HB ASP 48 -13.719 -7.548 -1.223 374 HB3 ASP 48 1HB ASP 48 -15.280 -8.081 -1.853 375 H GLY 49 H GLY 49 -13.085 -9.826 1.430 376 HA2 GLY 49 2HA GLY 49 -12.108 -11.914 1.330 377 HA3 GLY 49 1HA GLY 49 -13.446 -12.431 0.306 378 H THR 50 H THR 50 -11.245 -9.734 -0.313 379 HA THR 50 HA THR 50 -10.583 -10.883 -2.922 380 HB THR 50 HB THR 50 -9.585 -8.263 -1.804 381 HG1 THR 50 1HG THR 50 -12.106 -9.022 -2.716 382 HG21 THR 50 3HG2 THR 50 -9.536 -7.659 -4.194 383 HG22 THR 50 1HG2 THR 50 -10.150 -9.261 -4.608 384 HG23 THR 50 2HG2 THR 50 -8.553 -9.089 -3.878 385 H LYS 51 H LYS 51 -8.880 -12.170 -3.144 386 HA LYS 51 HA LYS 51 -6.852 -12.368 -1.109 387 HB2 LYS 51 2HB LYS 51 -7.530 -14.371 -2.296 388 HB3 LYS 51 1HB LYS 51 -7.096 -13.643 -3.845 389 HG2 LYS 51 2HG LYS 51 -4.766 -13.631 -3.287 390 HG3 LYS 51 1HG LYS 51 -5.100 -14.031 -1.602 391 HD2 LYS 51 2HD LYS 51 -5.908 -16.234 -2.228 392 HD3 LYS 51 1HD LYS 51 -5.766 -15.839 -3.941 393 HE2 LYS 51 2HE LYS 51 -3.815 -17.109 -3.409 394 HE3 LYS 51 1HE LYS 51 -3.281 -15.431 -3.500 395 HZ1 LYS 51 3HZ LYS 51 -2.673 -15.490 -1.385 396 HZ2 LYS 51 1HZ LYS 51 -2.998 -17.154 -1.366 397 HZ3 LYS 51 2HZ LYS 51 -4.200 -16.049 -0.893 398 H ILE 52 H ILE 52 -5.411 -10.785 -0.913 399 HA ILE 52 HA ILE 52 -3.978 -9.857 -3.340 400 HB ILE 52 HB ILE 52 -3.737 -7.659 -1.903 401 HG12 ILE 52 2HG1 ILE 52 -6.407 -8.661 -0.897 402 HG13 ILE 52 1HG1 ILE 52 -4.933 -8.788 0.047 403 HG21 ILE 52 1HG2 ILE 52 -6.386 -8.358 -3.195 404 HG22 ILE 52 2HG2 ILE 52 -4.941 -7.861 -4.080 405 HG23 ILE 52 3HG2 ILE 52 -5.725 -6.738 -2.968 406 HD11 ILE 52 3HD1 ILE 52 -6.208 -6.257 -1.010 407 HD12 ILE 52 1HD1 ILE 52 -4.628 -6.301 -0.236 408 HD13 ILE 52 2HD1 ILE 52 -6.067 -6.739 0.677 409 H ILE 53 H ILE 53 -1.904 -10.314 -3.241 410 HA ILE 53 HA ILE 53 -0.692 -11.139 -0.711 411 HB ILE 53 HB ILE 53 0.475 -11.178 -3.497 412 HG12 ILE 53 2HG1 ILE 53 -0.843 -13.425 -1.940 413 HG13 ILE 53 1HG1 ILE 53 -1.639 -12.526 -3.234 414 HG21 ILE 53 1HG2 ILE 53 1.977 -12.882 -2.470 415 HG22 ILE 53 2HG2 ILE 53 1.230 -12.560 -0.904 416 HG23 ILE 53 3HG2 ILE 53 2.150 -11.296 -1.721 417 HD11 ILE 53 3HD1 ILE 53 0.912 -14.148 -3.500 418 HD12 ILE 53 1HD1 ILE 53 0.171 -13.202 -4.792 419 HD13 ILE 53 2HD1 ILE 53 -0.676 -14.597 -4.126 420 H MET 54 H MET 54 0.853 -10.053 0.373 421 HA MET 54 HA MET 54 1.256 -7.299 -0.091 422 HB2 MET 54 2HB MET 54 1.560 -8.481 2.113 423 HB3 MET 54 1HB MET 54 3.074 -9.137 1.483 424 HG2 MET 54 2HG MET 54 3.708 -7.169 2.666 425 HG3 MET 54 1HG MET 54 3.732 -6.711 0.974 426 HE1 MET 54 3HE MET 54 2.889 -4.671 0.211 427 HE2 MET 54 1HE MET 54 3.644 -4.123 1.715 428 HE3 MET 54 2HE MET 54 2.076 -3.487 1.227 429 H LYS 55 H LYS 55 1.773 -7.307 -2.355 430 HA LYS 55 HA LYS 55 4.189 -8.487 -3.343 431 HB2 LYS 55 2HB LYS 55 2.139 -7.884 -4.709 432 HB3 LYS 55 1HB LYS 55 2.638 -6.198 -4.565 433 HG2 LYS 55 2HG LYS 55 4.886 -6.901 -5.503 434 HG3 LYS 55 1HG LYS 55 4.160 -8.463 -5.873 435 HD2 LYS 55 2HD LYS 55 3.094 -5.796 -6.850 436 HD3 LYS 55 1HD LYS 55 4.098 -6.881 -7.811 437 HE2 LYS 55 2HE LYS 55 2.304 -8.680 -7.283 438 HE3 LYS 55 1HE LYS 55 1.285 -7.320 -6.811 439 HZ1 LYS 55 3HZ LYS 55 1.999 -8.215 -9.415 440 HZ2 LYS 55 1HZ LYS 55 2.405 -6.582 -9.203 441 HZ3 LYS 55 2HZ LYS 55 0.806 -7.098 -8.948 442 H GLY 56 H GLY 56 3.255 -5.075 -3.034 443 HA2 GLY 56 2HA GLY 56 5.897 -4.078 -3.289 444 HA3 GLY 56 1HA GLY 56 4.493 -3.172 -2.743 445 H ASN 57 H ASN 57 6.503 -5.854 -1.464 446 HA ASN 57 HA ASN 57 6.058 -5.213 1.245 447 HB2 ASN 57 2HB ASN 57 6.973 -7.381 0.538 448 HB3 ASN 57 1HB ASN 57 8.452 -6.587 -0.005 449 HD21 ASN 57 1HD2 ASN 57 6.913 -5.323 2.870 450 HD22 ASN 57 2HD2 ASN 57 8.033 -5.957 3.985 451 H GLU 58 H GLU 58 7.559 -3.422 -1.085 452 HA GLU 58 HA GLU 58 9.669 -2.279 0.565 453 HB2 GLU 58 2HB GLU 58 8.637 -1.601 -2.198 454 HB3 GLU 58 1HB GLU 58 9.976 -0.767 -1.409 455 HG2 GLU 58 2HG GLU 58 11.193 -2.907 -1.210 456 HG3 GLU 58 1HG GLU 58 9.860 -3.736 -2.012 457 H ILE 59 H ILE 59 7.504 -1.949 2.022 458 HA ILE 59 HA ILE 59 5.732 0.115 1.643 459 HB ILE 59 HB ILE 59 5.914 0.424 4.180 460 HG12 ILE 59 2HG1 ILE 59 7.764 -1.961 3.910 461 HG13 ILE 59 1HG1 ILE 59 8.350 -0.317 4.187 462 HG21 ILE 59 1HG2 ILE 59 5.121 -1.993 4.564 463 HG22 ILE 59 2HG2 ILE 59 5.425 -2.244 2.845 464 HG23 ILE 59 3HG2 ILE 59 4.238 -1.050 3.365 465 HD11 ILE 59 3HD1 ILE 59 6.278 -1.608 5.971 466 HD12 ILE 59 1HD1 ILE 59 7.252 -0.173 6.295 467 HD13 ILE 59 2HD1 ILE 59 8.009 -1.766 6.274 468 H PHE 60 H PHE 60 9.105 0.361 1.732 469 HA PHE 60 HA PHE 60 9.676 2.750 2.974 470 HB2 PHE 60 2HB PHE 60 11.286 1.188 1.778 471 HB3 PHE 60 1HB PHE 60 10.812 1.989 0.280 472 HD1 PHE 60 1HD PHE 60 12.343 2.521 3.623 473 HD2 PHE 60 2HD PHE 60 11.596 4.186 -0.266 474 HE1 PHE 60 1HE PHE 60 13.918 4.372 4.113 475 HE2 PHE 60 2HE PHE 60 13.171 6.037 0.225 476 HZ PHE 60 HZ PHE 60 14.332 6.130 2.414 477 H ARG 61 H ARG 61 7.944 2.220 -0.018 478 HA ARG 61 HA ARG 61 8.135 4.784 -1.146 479 HB2 ARG 61 2HB ARG 61 5.933 2.717 -1.267 480 HB3 ARG 61 1HB ARG 61 5.934 4.194 -2.231 481 HG2 ARG 61 2HG ARG 61 8.163 3.540 -3.155 482 HG3 ARG 61 1HG ARG 61 8.044 2.019 -2.271 483 HD2 ARG 61 2HD ARG 61 6.167 1.302 -3.542 484 HD3 ARG 61 1HD ARG 61 5.895 2.915 -4.194 485 HE ARG 61 HE ARG 61 7.428 2.410 -5.849 486 HH11 ARG 61 1HH2 ARG 61 7.921 0.391 -3.083 487 HH12 ARG 61 2HH2 ARG 61 9.156 -0.567 -3.831 488 HH21 ARG 61 1HH1 ARG 61 9.047 1.160 -6.835 489 HH22 ARG 61 2HH1 ARG 61 9.793 -0.130 -5.955 490 H LEU 62 H LEU 62 5.651 3.449 1.054 491 HA LEU 62 HA LEU 62 4.088 5.759 1.275 492 HB2 LEU 62 2HB LEU 62 3.783 3.293 2.203 493 HB3 LEU 62 1HB LEU 62 4.494 3.974 3.662 494 HG LEU 62 HG LEU 62 2.010 4.974 2.231 495 HD11 LEU 62 1HD1 LEU 62 2.276 3.875 5.036 496 HD12 LEU 62 2HD1 LEU 62 1.902 2.848 3.652 497 HD13 LEU 62 3HD1 LEU 62 0.798 4.146 4.112 498 HD21 LEU 62 3HD2 LEU 62 1.904 6.411 4.405 499 HD22 LEU 62 1HD2 LEU 62 2.998 6.924 3.122 500 HD23 LEU 62 2HD2 LEU 62 3.631 6.075 4.533 501 H ASP 63 H ASP 63 6.762 4.639 3.356 502 HA ASP 63 HA ASP 63 6.851 6.670 5.208 503 HB2 ASP 63 2HB ASP 63 8.336 4.691 5.228 504 HB3 ASP 63 1HB ASP 63 9.242 5.376 3.881 505 H GLU 64 H GLU 64 8.196 6.672 1.926 506 HA GLU 64 HA GLU 64 9.445 9.216 2.106 507 HB2 GLU 64 2HB GLU 64 8.476 7.602 -0.260 508 HB3 GLU 64 1HB GLU 64 9.375 9.111 -0.413 509 HG2 GLU 64 2HG GLU 64 11.263 8.174 0.790 510 HG3 GLU 64 1HG GLU 64 10.360 6.700 1.134 511 H ALA 65 H ALA 65 8.699 11.243 1.718 512 HA ALA 65 HA ALA 65 5.859 11.678 1.817 513 HB1 ALA 65 1HB ALA 65 7.440 13.181 2.964 514 HB2 ALA 65 2HB ALA 65 6.451 14.060 1.796 515 HB3 ALA 65 3HB ALA 65 8.121 13.648 1.405 516 H LEU 66 H LEU 66 4.533 12.579 0.243 517 HA LEU 66 HA LEU 66 5.113 11.862 -2.453 518 HB2 LEU 66 2HB LEU 66 2.889 13.413 -1.129 519 HB3 LEU 66 1HB LEU 66 2.967 13.240 -2.883 520 HG LEU 66 HG LEU 66 2.898 10.823 -2.708 521 HD11 LEU 66 1HD1 LEU 66 3.172 11.383 0.249 522 HD12 LEU 66 2HD1 LEU 66 4.168 10.339 -0.764 523 HD13 LEU 66 3HD1 LEU 66 2.527 9.853 -0.343 524 HD21 LEU 66 3HD2 LEU 66 0.853 12.192 -0.933 525 HD22 LEU 66 1HD2 LEU 66 0.679 10.552 -1.560 526 HD23 LEU 66 2HD2 LEU 66 0.728 11.921 -2.671 527 H ARG 67 H ARG 67 3.918 15.078 -1.656 528 HA ARG 67 HA ARG 67 4.499 17.143 -2.490 529 HB2 ARG 67 2HB ARG 67 7.318 16.105 -2.120 530 HB3 ARG 67 1HB ARG 67 6.797 17.790 -2.127 531 HG2 ARG 67 2HG ARG 67 5.310 17.225 -0.147 532 HG3 ARG 67 1HG ARG 67 6.137 15.670 -0.071 533 HD2 ARG 67 2HD ARG 67 7.158 17.337 1.460 534 HD3 ARG 67 1HD ARG 67 8.290 16.794 0.225 535 HE ARG 67 HE ARG 67 7.008 19.089 -0.750 536 HH11 ARG 67 1HH2 ARG 67 9.116 18.105 1.811 537 HH12 ARG 67 2HH2 ARG 67 9.916 19.638 1.927 538 HH21 ARG 67 1HH1 ARG 67 8.050 21.101 -0.603 539 HH22 ARG 67 2HH1 ARG 67 9.312 21.334 0.561 540 H LYS 68 H LYS 68 7.177 17.494 -3.880 541 HA LYS 68 HA LYS 68 7.962 17.586 -6.032 542 HB2 LYS 68 2HB LYS 68 7.926 15.050 -5.637 543 HB3 LYS 68 1HB LYS 68 6.424 15.042 -6.559 544 HG2 LYS 68 2HG LYS 68 7.514 15.891 -8.518 545 HG3 LYS 68 1HG LYS 68 8.985 16.262 -7.620 546 HD2 LYS 68 2HD LYS 68 9.319 14.201 -8.875 547 HD3 LYS 68 1HD LYS 68 9.271 13.829 -7.152 548 HE2 LYS 68 2HE LYS 68 7.094 12.922 -7.287 549 HE3 LYS 68 1HE LYS 68 6.773 13.691 -8.841 550 HZ1 LYS 68 3HZ LYS 68 8.996 11.790 -8.633 551 HZ2 LYS 68 1HZ LYS 68 8.012 12.155 -9.965 552 HZ3 LYS 68 2HZ LYS 68 7.410 11.183 -8.707 553 H GLY 69 H GLY 69 4.804 17.902 -5.215 554 HA2 GLY 69 2HA GLY 69 3.113 19.121 -6.221 555 HA3 GLY 69 1HA GLY 69 4.155 19.328 -7.626 556 H HIS 70 H HIS 70 1.371 18.758 -7.744 557 HA HIS 70 HA HIS 70 0.875 15.991 -8.204 558 HB2 HIS 70 2HB HIS 70 -0.874 17.747 -7.746 559 HB3 HIS 70 1HB HIS 70 -0.626 18.334 -9.391 560 HD2 HIS 70 2HD HIS 70 -2.034 16.910 -11.316 561 HE1 HIS 70 1HE HIS 70 -3.129 13.622 -8.906 562 HE2 HIS 70 2HE HIS 70 -3.411 14.696 -11.189 563 H SER 71 H SER 71 -0.073 15.398 -10.497 564 HA SER 71 HA SER 71 0.489 14.778 -12.637 565 HB2 SER 71 2HB SER 71 0.860 16.554 -14.170 566 HB3 SER 71 1HB SER 71 -0.149 17.235 -12.898 567 HG SER 71 HG SER 71 2.506 17.720 -13.550 568 H GLU 72 H GLU 72 2.506 15.289 -14.339 569 HA GLU 72 HA GLU 72 5.088 15.372 -13.115 570 HB2 GLU 72 2HB GLU 72 5.686 12.988 -13.701 571 HB3 GLU 72 1HB GLU 72 4.592 13.162 -12.328 572 HG2 GLU 72 2HG GLU 72 3.571 12.737 -15.140 573 HG3 GLU 72 1HG GLU 72 3.968 11.389 -14.078 574 H GLY 73 H GLY 73 6.803 15.194 -14.664 575 HA2 GLY 73 2HA GLY 73 6.465 14.585 -17.388 576 HA3 GLY 73 1HA GLY 73 6.223 16.317 -17.176 577 H GLY 74 H GLY 74 8.469 13.910 -15.789 578 HA2 GLY 74 2HA GLY 74 10.762 13.897 -15.605 579 HA3 GLY 74 1HA GLY 74 10.785 14.855 -17.082 580 H1 HOH 201 H2 HOH 77 -3.898 17.454 -8.256 581 H2 HOH 201 H1 HOH 77 -5.152 16.833 -7.675 Start of MODEL 8 1 H1 VAL 1 1H VAL 1 1.610 14.065 -9.258 2 H2 VAL 1 2H VAL 1 1.616 14.600 -7.646 3 HA VAL 1 HA VAL 1 -0.788 13.623 -9.081 4 HB VAL 1 HB VAL 1 0.778 11.784 -8.783 5 HG11 VAL 1 2HG1 VAL 1 1.992 13.055 -6.843 6 HG12 VAL 1 3HG1 VAL 1 1.921 11.297 -6.795 7 HG13 VAL 1 1HG1 VAL 1 0.820 12.248 -5.803 8 HG21 VAL 1 1HG2 VAL 1 -1.685 11.505 -8.241 9 HG22 VAL 1 2HG2 VAL 1 -1.251 11.660 -6.538 10 HG23 VAL 1 3HG2 VAL 1 -0.620 10.317 -7.492 11 H ASP 2 H ASP 2 -2.394 14.791 -8.251 12 HA ASP 2 HA ASP 2 -3.092 14.663 -5.516 13 HB2 ASP 2 2HB ASP 2 -2.820 17.224 -5.151 14 HB3 ASP 2 1HB ASP 2 -1.404 16.191 -4.956 15 H MET 3 H MET 3 -3.451 15.883 -8.712 16 HA MET 3 HA MET 3 -5.842 17.392 -8.321 17 HB2 MET 3 2HB MET 3 -4.349 17.647 -10.297 18 HB3 MET 3 1HB MET 3 -4.839 16.045 -10.842 19 HG2 MET 3 2HG MET 3 -6.917 18.150 -10.252 20 HG3 MET 3 1HG MET 3 -6.086 18.121 -11.807 21 HE1 MET 3 3HE MET 3 -9.242 17.818 -11.377 22 HE2 MET 3 1HE MET 3 -9.551 16.632 -12.653 23 HE3 MET 3 2HE MET 3 -8.386 17.928 -12.911 24 H SER 4 H SER 4 -5.236 14.113 -9.591 25 HA SER 4 HA SER 4 -7.996 13.435 -9.807 26 HB2 SER 4 2HB SER 4 -5.562 11.646 -9.623 27 HB3 SER 4 1HB SER 4 -7.174 11.131 -10.107 28 HG SER 4 HG SER 4 -6.800 13.098 -11.638 29 H ASN 5 H ASN 5 -5.637 13.265 -7.239 30 HA ASN 5 HA ASN 5 -5.785 12.621 -5.038 31 HB2 ASN 5 2HB ASN 5 -8.733 13.123 -5.507 32 HB3 ASN 5 1HB ASN 5 -7.941 13.013 -3.937 33 HD21 ASN 5 1HD2 ASN 5 -8.678 15.148 -6.564 34 HD22 ASN 5 2HD2 ASN 5 -7.796 16.484 -5.998 35 H VAL 6 H VAL 6 -6.655 10.727 -7.451 36 HA VAL 6 HA VAL 6 -8.261 8.710 -6.244 37 HB VAL 6 HB VAL 6 -7.975 8.977 -8.701 38 HG11 VAL 6 1HG1 VAL 6 -5.257 7.716 -8.259 39 HG12 VAL 6 2HG1 VAL 6 -5.486 9.447 -8.514 40 HG13 VAL 6 3HG1 VAL 6 -5.935 8.302 -9.778 41 HG21 VAL 6 3HG2 VAL 6 -8.670 6.805 -7.582 42 HG22 VAL 6 1HG2 VAL 6 -6.997 6.274 -7.738 43 HG23 VAL 6 2HG2 VAL 6 -7.951 6.616 -9.181 44 H VAL 7 H VAL 7 -7.683 6.761 -5.302 45 HA VAL 7 HA VAL 7 -4.873 6.106 -4.884 46 HB VAL 7 HB VAL 7 -5.153 6.009 -2.407 47 HG11 VAL 7 1HG1 VAL 7 -4.718 8.325 -2.055 48 HG12 VAL 7 2HG1 VAL 7 -5.713 8.799 -3.433 49 HG13 VAL 7 3HG1 VAL 7 -4.166 7.994 -3.697 50 HG21 VAL 7 3HG2 VAL 7 -7.608 5.893 -2.346 51 HG22 VAL 7 1HG2 VAL 7 -7.716 7.512 -3.035 52 HG23 VAL 7 2HG2 VAL 7 -7.044 7.283 -1.421 53 H LYS 8 H LYS 8 -4.574 3.985 -4.002 54 HA LYS 8 HA LYS 8 -6.860 2.199 -4.542 55 HB2 LYS 8 2HB LYS 8 -4.551 1.923 -5.646 56 HB3 LYS 8 1HB LYS 8 -3.995 1.367 -4.068 57 HG2 LYS 8 2HG LYS 8 -4.625 -0.657 -5.030 58 HG3 LYS 8 1HG LYS 8 -6.117 -0.214 -4.206 59 HD2 LYS 8 2HD LYS 8 -6.993 -0.679 -6.304 60 HD3 LYS 8 1HD LYS 8 -6.616 1.023 -6.542 61 HE2 LYS 8 2HE LYS 8 -4.738 -1.250 -7.269 62 HE3 LYS 8 1HE LYS 8 -5.823 -0.453 -8.410 63 HZ1 LYS 8 3HZ LYS 8 -3.555 0.740 -6.926 64 HZ2 LYS 8 1HZ LYS 8 -4.727 1.678 -7.717 65 HZ3 LYS 8 2HZ LYS 8 -3.751 0.609 -8.607 66 H THR 9 H THR 9 -7.700 0.849 -3.013 67 HA THR 9 HA THR 9 -6.394 0.574 -0.413 68 HB THR 9 HB THR 9 -8.776 1.180 0.603 69 HG1 THR 9 1HG THR 9 -8.640 2.776 -1.735 70 HG21 THR 9 3HG2 THR 9 -6.854 3.324 -0.342 71 HG22 THR 9 1HG2 THR 9 -6.634 2.334 1.101 72 HG23 THR 9 2HG2 THR 9 -7.990 3.456 0.999 73 H TYR 10 H TYR 10 -7.072 -1.163 0.775 74 HA TYR 10 HA TYR 10 -9.218 -2.881 -0.261 75 HB2 TYR 10 2HB TYR 10 -6.457 -3.977 0.297 76 HB3 TYR 10 1HB TYR 10 -7.848 -4.848 -0.330 77 HD1 TYR 10 2HD TYR 10 -8.949 -3.419 -2.476 78 HD2 TYR 10 1HD TYR 10 -4.807 -3.607 -1.324 79 HE1 TYR 10 2HE TYR 10 -8.277 -2.856 -4.789 80 HE2 TYR 10 1HE TYR 10 -4.145 -3.045 -3.641 81 HH TYR 10 HH TYR 10 -6.507 -2.872 -6.242 82 H ASP 11 H ASP 11 -10.434 -2.596 1.563 83 HA ASP 11 HA ASP 11 -9.631 -2.370 4.182 84 HB2 ASP 11 2HB ASP 11 -12.098 -3.680 3.039 85 HB3 ASP 11 1HB ASP 11 -11.871 -3.342 4.754 86 H LEU 12 H LEU 12 -7.963 -3.681 4.833 87 HA LEU 12 HA LEU 12 -7.942 -6.516 4.459 88 HB2 LEU 12 2HB LEU 12 -6.178 -4.481 5.482 89 HB3 LEU 12 1HB LEU 12 -6.279 -5.756 6.689 90 HG LEU 12 HG LEU 12 -5.628 -7.432 5.024 91 HD11 LEU 12 1HD1 LEU 12 -4.701 -6.218 2.780 92 HD12 LEU 12 2HD1 LEU 12 -6.077 -5.175 3.131 93 HD13 LEU 12 3HD1 LEU 12 -6.315 -6.906 2.904 94 HD21 LEU 12 3HD2 LEU 12 -3.324 -6.244 4.372 95 HD22 LEU 12 1HD2 LEU 12 -3.696 -6.652 6.045 96 HD23 LEU 12 2HD2 LEU 12 -3.914 -5.000 5.466 97 H GLN 13 H GLN 13 -8.444 -8.154 5.885 98 HA GLN 13 HA GLN 13 -10.598 -7.685 7.675 99 HB2 GLN 13 2HB GLN 13 -8.817 -10.068 7.165 100 HB3 GLN 13 1HB GLN 13 -10.101 -10.100 8.377 101 HG2 GLN 13 2HG GLN 13 -11.742 -9.460 6.629 102 HG3 GLN 13 1HG GLN 13 -10.453 -9.500 5.424 103 HE21 GLN 13 1HE2 GLN 13 -12.946 -11.267 5.815 104 HE22 GLN 13 2HE2 GLN 13 -12.325 -12.853 5.807 105 H ASP 14 H ASP 14 -7.288 -7.200 8.006 106 HA ASP 14 HA ASP 14 -7.191 -7.714 10.887 107 HB2 ASP 14 2HB ASP 14 -5.121 -6.657 8.947 108 HB3 ASP 14 1HB ASP 14 -4.833 -6.953 10.663 109 H GLY 15 H GLY 15 -8.707 -5.466 9.285 110 HA2 GLY 15 2HA GLY 15 -9.517 -3.409 10.002 111 HA3 GLY 15 1HA GLY 15 -8.372 -3.461 11.343 112 H SER 16 H SER 16 -6.259 -4.106 9.186 113 HA SER 16 HA SER 16 -5.377 -1.387 8.848 114 HB2 SER 16 2HB SER 16 -3.460 -2.449 7.658 115 HB3 SER 16 1HB SER 16 -3.734 -3.118 9.265 116 HG SER 16 HG SER 16 -4.805 -4.215 6.876 117 H LYS 17 H LYS 17 -4.324 -1.022 6.492 118 HA LYS 17 HA LYS 17 -6.175 -1.775 4.350 119 HB2 LYS 17 2HB LYS 17 -5.756 1.080 5.271 120 HB3 LYS 17 1HB LYS 17 -6.425 0.649 3.698 121 HG2 LYS 17 2HG LYS 17 -8.199 -0.674 4.886 122 HG3 LYS 17 1HG LYS 17 -7.576 -0.053 6.411 123 HD2 LYS 17 2HD LYS 17 -9.446 1.336 5.726 124 HD3 LYS 17 1HD LYS 17 -7.962 2.274 5.577 125 HE2 LYS 17 2HE LYS 17 -8.034 2.270 3.253 126 HE3 LYS 17 1HE LYS 17 -8.906 0.738 3.172 127 HZ1 LYS 17 3HZ LYS 17 -10.591 2.147 2.695 128 HZ2 LYS 17 1HZ LYS 17 -9.925 3.443 3.562 129 HZ3 LYS 17 2HZ LYS 17 -10.721 2.191 4.390 130 H VAL 18 H VAL 18 -4.994 -2.204 2.580 131 HA VAL 18 HA VAL 18 -2.202 -1.378 2.502 132 HB VAL 18 HB VAL 18 -3.286 -2.764 0.113 133 HG11 VAL 18 1HG1 VAL 18 -0.902 -2.556 0.410 134 HG12 VAL 18 2HG1 VAL 18 -1.337 -4.256 0.579 135 HG13 VAL 18 3HG1 VAL 18 -0.990 -3.291 2.012 136 HG21 VAL 18 3HG2 VAL 18 -3.536 -4.939 1.227 137 HG22 VAL 18 1HG2 VAL 18 -4.722 -3.786 1.831 138 HG23 VAL 18 2HG2 VAL 18 -3.299 -4.168 2.798 139 H HIS 19 H HIS 19 -1.269 -0.265 0.715 140 HA HIS 19 HA HIS 19 -3.073 1.225 -1.066 141 HB2 HIS 19 2HB HIS 19 -2.930 3.014 0.380 142 HB3 HIS 19 1HB HIS 19 -1.521 2.358 1.201 143 HD1 HIS 19 1HD HIS 19 -2.528 4.599 -1.621 144 HD2 HIS 19 2HD HIS 19 0.992 3.117 0.055 145 HE1 HIS 19 1HE HIS 19 -0.634 5.961 -2.612 146 HE2 HIS 19 2HE HIS 19 1.518 5.070 -1.600 147 H VAL 20 H VAL 20 -2.329 0.853 -3.027 148 HA VAL 20 HA VAL 20 0.494 0.147 -3.397 149 HB VAL 20 HB VAL 20 -0.166 -1.098 -5.224 150 HG11 VAL 20 1HG1 VAL 20 -1.495 -1.770 -3.197 151 HG12 VAL 20 2HG1 VAL 20 -2.249 -2.215 -4.720 152 HG13 VAL 20 3HG1 VAL 20 -2.820 -0.816 -3.814 153 HG21 VAL 20 3HG2 VAL 20 -2.340 -0.528 -6.500 154 HG22 VAL 20 1HG2 VAL 20 -0.974 0.567 -6.711 155 HG23 VAL 20 2HG2 VAL 20 -2.298 1.007 -5.631 156 H PHE 21 H PHE 21 1.882 1.209 -4.739 157 HA PHE 21 HA PHE 21 1.314 4.008 -5.211 158 HB2 PHE 21 2HB PHE 21 3.759 2.319 -5.796 159 HB3 PHE 21 1HB PHE 21 3.670 4.069 -5.998 160 HD1 PHE 21 1HD PHE 21 3.551 1.306 -3.533 161 HD2 PHE 21 2HD PHE 21 3.723 5.558 -4.107 162 HE1 PHE 21 1HE PHE 21 4.063 1.608 -1.126 163 HE2 PHE 21 2HE PHE 21 4.236 5.861 -1.699 164 HZ PHE 21 HZ PHE 21 4.406 3.886 -0.209 165 H LYS 22 H LYS 22 2.669 4.613 -7.479 166 HA LYS 22 HA LYS 22 0.788 3.848 -9.526 167 HB2 LYS 22 2HB LYS 22 3.337 5.399 -9.968 168 HB3 LYS 22 1HB LYS 22 1.823 5.494 -10.868 169 HG2 LYS 22 2HG LYS 22 2.271 6.383 -8.003 170 HG3 LYS 22 1HG LYS 22 2.002 7.432 -9.396 171 HD2 LYS 22 2HD LYS 22 -0.217 6.160 -9.710 172 HD3 LYS 22 1HD LYS 22 0.049 5.535 -8.083 173 HE2 LYS 22 2HE LYS 22 0.173 7.830 -7.205 174 HE3 LYS 22 1HE LYS 22 -0.058 8.472 -8.832 175 HZ1 LYS 22 3HZ LYS 22 -1.979 7.213 -7.039 176 HZ2 LYS 22 1HZ LYS 22 -2.140 6.864 -8.690 177 HZ3 LYS 22 2HZ LYS 22 -2.198 8.475 -8.154 178 H ASP 23 H ASP 23 3.845 2.731 -8.431 179 HA ASP 23 HA ASP 23 4.678 1.532 -10.919 180 HB2 ASP 23 2HB ASP 23 5.616 1.039 -8.082 181 HB3 ASP 23 1HB ASP 23 6.413 0.453 -9.544 182 H GLY 24 H GLY 24 2.167 0.872 -8.955 183 HA2 GLY 24 2HA GLY 24 0.694 -0.931 -9.074 184 HA3 GLY 24 1HA GLY 24 1.924 -1.856 -9.933 185 H LYS 25 H LYS 25 3.797 -0.884 -7.624 186 HA LYS 25 HA LYS 25 3.697 -3.288 -6.108 187 HB2 LYS 25 2HB LYS 25 5.104 -0.638 -5.745 188 HB3 LYS 25 1HB LYS 25 5.263 -1.935 -4.566 189 HG2 LYS 25 2HG LYS 25 6.013 -3.458 -6.401 190 HG3 LYS 25 1HG LYS 25 5.965 -2.086 -7.509 191 HD2 LYS 25 2HD LYS 25 7.537 -0.892 -5.898 192 HD3 LYS 25 1HD LYS 25 7.739 -2.445 -5.087 193 HE2 LYS 25 2HE LYS 25 9.530 -2.316 -6.655 194 HE3 LYS 25 1HE LYS 25 8.345 -3.401 -7.382 195 HZ1 LYS 25 3HZ LYS 25 8.059 -0.560 -7.959 196 HZ2 LYS 25 1HZ LYS 25 7.799 -1.902 -8.963 197 HZ3 LYS 25 2HZ LYS 25 9.381 -1.352 -8.676 198 H MET 26 H MET 26 2.924 -3.681 -4.043 199 HA MET 26 HA MET 26 0.679 -2.090 -3.231 200 HB2 MET 26 2HB MET 26 1.585 -4.795 -2.854 201 HB3 MET 26 1HB MET 26 1.260 -4.101 -1.270 202 HG2 MET 26 2HG MET 26 -0.988 -3.571 -1.873 203 HG3 MET 26 1HG MET 26 -0.691 -3.910 -3.577 204 HE1 MET 26 3HE MET 26 0.162 -6.351 -4.413 205 HE2 MET 26 1HE MET 26 -1.516 -5.824 -4.619 206 HE3 MET 26 2HE MET 26 -1.161 -7.477 -4.118 207 H GLY 27 H GLY 27 0.531 -2.004 -0.598 208 HA2 GLY 27 2HA GLY 27 3.008 -1.096 0.624 209 HA3 GLY 27 1HA GLY 27 1.870 0.200 0.271 210 H MET 28 H MET 28 2.865 -1.871 2.623 211 HA MET 28 HA MET 28 0.295 -2.452 3.825 212 HB2 MET 28 2HB MET 28 2.389 -3.907 3.971 213 HB3 MET 28 1HB MET 28 3.011 -2.723 5.110 214 HG2 MET 28 2HG MET 28 1.942 -4.503 6.358 215 HG3 MET 28 1HG MET 28 0.969 -3.045 6.495 216 HE1 MET 28 3HE MET 28 -1.907 -5.299 6.640 217 HE2 MET 28 1HE MET 28 -1.799 -3.549 6.422 218 HE3 MET 28 2HE MET 28 -0.656 -4.385 7.471 219 H GLU 29 H GLU 29 -0.567 -0.338 4.100 220 HA GLU 29 HA GLU 29 0.745 1.320 6.184 221 HB2 GLU 29 2HB GLU 29 0.264 2.392 3.962 222 HB3 GLU 29 1HB GLU 29 -1.453 2.122 4.263 223 HG2 GLU 29 2HG GLU 29 -1.260 3.425 6.373 224 HG3 GLU 29 1HG GLU 29 0.429 3.749 5.995 225 H ASN 30 H ASN 30 -0.023 0.613 8.114 226 HA ASN 30 HA ASN 30 -2.679 -0.393 8.476 227 HB2 ASN 30 2HB ASN 30 -2.121 -0.508 10.826 228 HB3 ASN 30 1HB ASN 30 -0.729 -1.054 9.888 229 HD21 ASN 30 1HD2 ASN 30 0.164 -0.330 12.238 230 HD22 ASN 30 2HD2 ASN 30 0.763 1.262 12.289 231 H LYS 31 H LYS 31 -4.347 0.547 9.771 232 HA LYS 31 HA LYS 31 -4.886 3.250 9.133 233 HB2 LYS 31 2HB LYS 31 -6.936 2.973 10.289 234 HB3 LYS 31 1HB LYS 31 -6.578 1.396 9.590 235 HG2 LYS 31 2HG LYS 31 -6.120 2.238 12.478 236 HG3 LYS 31 1HG LYS 31 -7.324 1.096 11.889 237 HD2 LYS 31 2HD LYS 31 -5.382 -0.277 10.960 238 HD3 LYS 31 1HD LYS 31 -4.321 0.756 11.920 239 HE2 LYS 31 2HE LYS 31 -5.556 0.139 13.961 240 HE3 LYS 31 1HE LYS 31 -6.622 -0.892 13.005 241 HZ1 LYS 31 3HZ LYS 31 -3.807 -1.385 12.606 242 HZ2 LYS 31 1HZ LYS 31 -5.078 -2.482 12.850 243 HZ3 LYS 31 2HZ LYS 31 -4.351 -1.714 14.182 244 H PHE 32 H PHE 32 -2.803 2.017 11.402 245 HA PHE 32 HA PHE 32 -3.300 3.921 13.521 246 HB2 PHE 32 2HB PHE 32 -2.231 1.555 13.700 247 HB3 PHE 32 1HB PHE 32 -0.745 2.354 13.183 248 HD1 PHE 32 2HD PHE 32 -3.498 2.561 15.706 249 HD2 PHE 32 1HD PHE 32 0.576 3.534 14.751 250 HE1 PHE 32 2HE PHE 32 -3.148 3.376 18.023 251 HE2 PHE 32 1HE PHE 32 0.926 4.350 17.066 252 HZ PHE 32 HZ PHE 32 -0.936 4.271 18.703 253 H GLY 33 H GLY 33 -1.982 4.181 10.488 254 HA2 GLY 33 2HA GLY 33 -0.978 6.022 9.487 255 HA3 GLY 33 1HA GLY 33 -0.823 6.763 11.081 256 H LYS 34 H LYS 34 0.324 3.526 10.579 257 HA LYS 34 HA LYS 34 3.117 4.442 10.277 258 HB2 LYS 34 2HB LYS 34 2.091 2.582 12.436 259 HB3 LYS 34 1HB LYS 34 3.796 2.826 12.055 260 HG2 LYS 34 2HG LYS 34 3.412 5.309 12.439 261 HG3 LYS 34 1HG LYS 34 1.829 4.880 13.087 262 HD2 LYS 34 2HD LYS 34 2.921 3.407 14.754 263 HD3 LYS 34 1HD LYS 34 4.499 3.883 14.125 264 HE2 LYS 34 2HE LYS 34 3.840 5.186 16.150 265 HE3 LYS 34 1HE LYS 34 4.088 6.208 14.735 266 HZ1 LYS 34 3HZ LYS 34 2.003 6.893 14.863 267 HZ2 LYS 34 1HZ LYS 34 1.807 6.011 16.298 268 HZ3 LYS 34 2HZ LYS 34 1.419 5.300 14.805 269 H SER 35 H SER 35 4.024 3.373 8.657 270 HA SER 35 HA SER 35 2.805 1.232 7.298 271 HB2 SER 35 2HB SER 35 4.716 1.204 5.927 272 HB3 SER 35 1HB SER 35 4.611 2.875 6.473 273 HG SER 35 HG SER 35 6.722 1.753 6.655 274 H MET 36 H MET 36 2.635 -0.839 7.834 275 HA MET 36 HA MET 36 4.363 -1.949 9.942 276 HB2 MET 36 2HB MET 36 1.778 -2.854 8.670 277 HB3 MET 36 1HB MET 36 2.722 -3.900 9.733 278 HG2 MET 36 2HG MET 36 2.614 -2.157 11.504 279 HG3 MET 36 1HG MET 36 1.602 -1.171 10.443 280 HE1 MET 36 3HE MET 36 0.972 -1.692 13.120 281 HE2 MET 36 1HE MET 36 1.164 -3.406 13.513 282 HE3 MET 36 2HE MET 36 -0.443 -2.687 13.454 283 H ASN 37 H ASN 37 6.174 -2.904 9.310 284 HA ASN 37 HA ASN 37 6.769 -3.659 6.665 285 HB2 ASN 37 2HB ASN 37 8.535 -3.158 8.239 286 HB3 ASN 37 1HB ASN 37 8.042 -4.494 9.278 287 HD21 ASN 37 1HD2 ASN 37 7.666 -5.373 6.013 288 HD22 ASN 37 2HD2 ASN 37 9.131 -6.221 5.825 289 H MET 38 H MET 38 5.334 -5.060 5.740 290 HA MET 38 HA MET 38 4.968 -7.709 7.006 291 HB2 MET 38 2HB MET 38 2.869 -6.590 6.506 292 HB3 MET 38 1HB MET 38 3.368 -6.320 4.834 293 HG2 MET 38 2HG MET 38 3.407 -8.724 4.429 294 HG3 MET 38 1HG MET 38 3.089 -9.044 6.124 295 HE1 MET 38 3HE MET 38 -0.533 -8.471 6.711 296 HE2 MET 38 1HE MET 38 0.986 -7.804 7.331 297 HE3 MET 38 2HE MET 38 0.841 -9.533 7.020 298 HA PRO 39 HA PRO 39 7.850 -8.920 3.742 299 HB2 PRO 39 2HB PRO 39 7.892 -11.621 4.161 300 HB3 PRO 39 1HB PRO 39 8.727 -10.468 5.226 301 HG2 PRO 39 2HG PRO 39 6.090 -11.821 5.604 302 HG3 PRO 39 1HG PRO 39 7.385 -11.530 6.780 303 HD2 PRO 39 2HD PRO 39 5.144 -9.967 6.630 304 HD3 PRO 39 1HD PRO 39 6.705 -9.347 7.187 305 H GLU 40 H GLU 40 7.857 -10.214 1.760 306 HA GLU 40 HA GLU 40 5.305 -10.186 0.471 307 HB2 GLU 40 2HB GLU 40 7.299 -9.604 -0.781 308 HB3 GLU 40 1HB GLU 40 8.007 -11.188 -0.451 309 HG2 GLU 40 2HG GLU 40 6.364 -12.304 -1.777 310 HG3 GLU 40 1HG GLU 40 5.361 -10.855 -1.881 311 H GLY 41 H GLY 41 3.824 -11.688 0.856 312 HA2 GLY 41 2HA GLY 41 3.458 -14.113 0.069 313 HA3 GLY 41 1HA GLY 41 4.660 -14.492 1.303 314 H LYS 42 H LYS 42 3.398 -12.076 2.828 315 HA LYS 42 HA LYS 42 1.650 -13.706 4.427 316 HB2 LYS 42 2HB LYS 42 2.778 -10.957 4.563 317 HB3 LYS 42 1HB LYS 42 1.263 -11.201 5.422 318 HG2 LYS 42 2HG LYS 42 3.489 -13.202 5.793 319 HG3 LYS 42 1HG LYS 42 3.580 -11.659 6.633 320 HD2 LYS 42 2HD LYS 42 1.597 -12.049 7.845 321 HD3 LYS 42 1HD LYS 42 1.079 -13.336 6.756 322 HE2 LYS 42 2HE LYS 42 3.007 -14.719 7.521 323 HE3 LYS 42 1HE LYS 42 3.434 -13.448 8.666 324 HZ1 LYS 42 3HZ LYS 42 1.994 -15.363 9.493 325 HZ2 LYS 42 1HZ LYS 42 0.729 -14.633 8.629 326 HZ3 LYS 42 2HZ LYS 42 1.501 -13.785 9.884 327 H VAL 43 H VAL 43 0.277 -14.203 2.553 328 HA VAL 43 HA VAL 43 -1.332 -12.659 1.048 329 HB VAL 43 HB VAL 43 -2.473 -14.957 2.635 330 HG11 VAL 43 1HG1 VAL 43 -4.053 -13.758 1.201 331 HG12 VAL 43 2HG1 VAL 43 -3.694 -15.332 0.493 332 HG13 VAL 43 3HG1 VAL 43 -2.942 -13.878 -0.162 333 HG21 VAL 43 3HG2 VAL 43 -1.564 -16.324 0.662 334 HG22 VAL 43 1HG2 VAL 43 -0.377 -15.783 1.849 335 HG23 VAL 43 2HG2 VAL 43 -0.536 -14.935 0.311 336 H MET 44 H MET 44 -2.664 -11.004 1.373 337 HA MET 44 HA MET 44 -3.842 -10.617 4.068 338 HB2 MET 44 2HB MET 44 -3.657 -8.563 1.870 339 HB3 MET 44 1HB MET 44 -3.971 -8.297 3.567 340 HG2 MET 44 2HG MET 44 -1.716 -8.848 4.157 341 HG3 MET 44 1HG MET 44 -1.374 -9.470 2.545 342 HE1 MET 44 3HE MET 44 -0.847 -6.622 0.291 343 HE2 MET 44 1HE MET 44 -2.528 -7.131 0.462 344 HE3 MET 44 2HE MET 44 -1.232 -8.321 0.535 345 H GLU 45 H GLU 45 -6.036 -10.552 4.301 346 HA GLU 45 HA GLU 45 -7.652 -11.143 1.884 347 HB2 GLU 45 2HB GLU 45 -7.673 -12.834 3.703 348 HB3 GLU 45 1HB GLU 45 -8.324 -11.611 4.798 349 HG2 GLU 45 2HG GLU 45 -10.313 -11.359 3.441 350 HG3 GLU 45 1HG GLU 45 -9.644 -12.412 2.191 351 H THR 46 H THR 46 -8.910 -9.580 1.119 352 HA THR 46 HA THR 46 -9.284 -7.119 2.537 353 HB THR 46 HB THR 46 -10.436 -6.363 0.604 354 HG1 THR 46 1HG THR 46 -11.365 -7.752 -0.832 355 HG21 THR 46 3HG2 THR 46 -8.548 -8.436 -0.504 356 HG22 THR 46 1HG2 THR 46 -7.962 -7.043 0.394 357 HG23 THR 46 2HG2 THR 46 -8.859 -6.812 -1.106 358 H ARG 47 H ARG 47 -11.682 -6.212 2.443 359 HA ARG 47 HA ARG 47 -13.165 -7.756 4.352 360 HB2 ARG 47 2HB ARG 47 -13.132 -5.291 4.410 361 HB3 ARG 47 1HB ARG 47 -13.951 -5.249 2.845 362 HG2 ARG 47 2HG ARG 47 -15.904 -6.342 3.767 363 HG3 ARG 47 1HG ARG 47 -15.081 -6.619 5.303 364 HD2 ARG 47 2HD ARG 47 -14.846 -4.123 5.537 365 HD3 ARG 47 1HD ARG 47 -15.862 -3.946 4.110 366 HE ARG 47 HE ARG 47 -17.203 -5.602 5.951 367 HH11 ARG 47 1HH2 ARG 47 -16.096 -2.347 5.567 368 HH12 ARG 47 2HH2 ARG 47 -17.346 -1.660 6.549 369 HH21 ARG 47 1HH1 ARG 47 -18.845 -4.708 7.240 370 HH22 ARG 47 2HH1 ARG 47 -18.903 -2.996 7.496 371 H ASP 48 H ASP 48 -13.474 -7.021 0.914 372 HA ASP 48 HA ASP 48 -16.041 -8.249 0.599 373 HB2 ASP 48 2HB ASP 48 -15.562 -8.080 -1.818 374 HB3 ASP 48 1HB ASP 48 -15.245 -6.558 -0.979 375 H GLY 49 H GLY 49 -12.960 -9.489 1.127 376 HA2 GLY 49 2HA GLY 49 -12.439 -11.760 1.424 377 HA3 GLY 49 1HA GLY 49 -13.861 -12.198 0.480 378 H THR 50 H THR 50 -11.253 -9.946 -0.387 379 HA THR 50 HA THR 50 -10.723 -11.573 -2.804 380 HB THR 50 HB THR 50 -10.158 -8.665 -2.170 381 HG1 THR 50 1HG THR 50 -11.736 -9.829 -4.202 382 HG21 THR 50 3HG2 THR 50 -9.400 -10.382 -4.541 383 HG22 THR 50 1HG2 THR 50 -8.329 -9.435 -3.509 384 HG23 THR 50 2HG2 THR 50 -9.443 -8.620 -4.605 385 H LYS 51 H LYS 51 -8.640 -12.215 -3.326 386 HA LYS 51 HA LYS 51 -6.772 -12.332 -1.060 387 HB2 LYS 51 2HB LYS 51 -7.451 -14.382 -2.390 388 HB3 LYS 51 1HB LYS 51 -6.521 -13.712 -3.736 389 HG2 LYS 51 2HG LYS 51 -4.550 -13.543 -2.132 390 HG3 LYS 51 1HG LYS 51 -5.496 -14.508 -1.000 391 HD2 LYS 51 2HD LYS 51 -4.818 -15.354 -3.833 392 HD3 LYS 51 1HD LYS 51 -3.956 -15.896 -2.393 393 HE2 LYS 51 2HE LYS 51 -6.278 -16.652 -1.528 394 HE3 LYS 51 1HE LYS 51 -6.804 -16.479 -3.202 395 HZ1 LYS 51 3HZ LYS 51 -4.762 -18.299 -2.094 396 HZ2 LYS 51 1HZ LYS 51 -4.779 -17.902 -3.743 397 HZ3 LYS 51 2HZ LYS 51 -6.120 -18.676 -3.043 398 H ILE 52 H ILE 52 -5.143 -10.965 -0.905 399 HA ILE 52 HA ILE 52 -3.795 -9.986 -3.343 400 HB ILE 52 HB ILE 52 -3.578 -7.743 -2.004 401 HG12 ILE 52 2HG1 ILE 52 -6.229 -8.714 -0.922 402 HG13 ILE 52 1HG1 ILE 52 -4.741 -8.823 -0.004 403 HG21 ILE 52 1HG2 ILE 52 -6.229 -8.514 -3.237 404 HG22 ILE 52 2HG2 ILE 52 -4.801 -8.027 -4.150 405 HG23 ILE 52 3HG2 ILE 52 -5.594 -6.878 -3.069 406 HD11 ILE 52 3HD1 ILE 52 -5.676 -6.763 0.677 407 HD12 ILE 52 1HD1 ILE 52 -6.177 -6.360 -0.963 408 HD13 ILE 52 2HD1 ILE 52 -4.473 -6.292 -0.515 409 H ILE 53 H ILE 53 -1.757 -10.582 -3.190 410 HA ILE 53 HA ILE 53 -0.553 -11.281 -0.654 411 HB ILE 53 HB ILE 53 0.425 -11.314 -3.515 412 HG12 ILE 53 2HG1 ILE 53 0.333 -13.733 -3.213 413 HG13 ILE 53 1HG1 ILE 53 -0.159 -13.540 -1.535 414 HG21 ILE 53 1HG2 ILE 53 1.860 -11.988 -0.939 415 HG22 ILE 53 2HG2 ILE 53 2.400 -10.920 -2.235 416 HG23 ILE 53 3HG2 ILE 53 2.352 -12.663 -2.493 417 HD11 ILE 53 3HD1 ILE 53 -2.297 -12.776 -2.132 418 HD12 ILE 53 1HD1 ILE 53 -1.977 -14.013 -3.344 419 HD13 ILE 53 2HD1 ILE 53 -1.784 -12.312 -3.757 420 H MET 54 H MET 54 1.181 -10.252 0.342 421 HA MET 54 HA MET 54 1.330 -7.415 0.013 422 HB2 MET 54 2HB MET 54 1.734 -8.608 2.179 423 HB3 MET 54 1HB MET 54 3.245 -9.228 1.506 424 HG2 MET 54 2HG MET 54 3.834 -7.269 2.745 425 HG3 MET 54 1HG MET 54 3.893 -6.806 1.058 426 HE1 MET 54 3HE MET 54 2.194 -3.591 1.267 427 HE2 MET 54 1HE MET 54 2.942 -4.796 0.209 428 HE3 MET 54 2HE MET 54 3.778 -4.254 1.662 429 H LYS 55 H LYS 55 1.785 -7.453 -2.308 430 HA LYS 55 HA LYS 55 4.216 -8.457 -3.375 431 HB2 LYS 55 2HB LYS 55 2.108 -7.791 -4.650 432 HB3 LYS 55 1HB LYS 55 2.649 -6.121 -4.473 433 HG2 LYS 55 2HG LYS 55 4.864 -6.867 -5.483 434 HG3 LYS 55 1HG LYS 55 4.063 -8.383 -5.898 435 HD2 LYS 55 2HD LYS 55 3.093 -5.634 -6.739 436 HD3 LYS 55 1HD LYS 55 4.019 -6.726 -7.768 437 HE2 LYS 55 2HE LYS 55 2.164 -8.461 -7.268 438 HE3 LYS 55 1HE LYS 55 1.220 -7.085 -6.698 439 HZ1 LYS 55 3HZ LYS 55 1.113 -6.173 -8.773 440 HZ2 LYS 55 1HZ LYS 55 1.120 -7.820 -9.179 441 HZ3 LYS 55 2HZ LYS 55 2.549 -6.909 -9.308 442 H GLY 56 H GLY 56 3.286 -5.054 -3.074 443 HA2 GLY 56 2HA GLY 56 5.926 -4.069 -3.272 444 HA3 GLY 56 1HA GLY 56 4.514 -3.154 -2.762 445 H ASN 57 H ASN 57 6.534 -5.801 -1.426 446 HA ASN 57 HA ASN 57 6.042 -5.145 1.274 447 HB2 ASN 57 2HB ASN 57 6.978 -7.306 0.673 448 HB3 ASN 57 1HB ASN 57 8.418 -6.532 0.008 449 HD21 ASN 57 1HD2 ASN 57 6.921 -5.298 2.961 450 HD22 ASN 57 2HD2 ASN 57 8.159 -5.806 4.013 451 H GLU 58 H GLU 58 7.701 -3.476 -1.104 452 HA GLU 58 HA GLU 58 9.727 -2.265 0.572 453 HB2 GLU 58 2HB GLU 58 8.741 -1.480 -2.182 454 HB3 GLU 58 1HB GLU 58 10.206 -0.891 -1.395 455 HG2 GLU 58 2HG GLU 58 9.728 -3.841 -1.844 456 HG3 GLU 58 1HG GLU 58 10.473 -2.828 -3.074 457 H ILE 59 H ILE 59 8.059 -1.638 2.218 458 HA ILE 59 HA ILE 59 6.178 0.428 1.632 459 HB ILE 59 HB ILE 59 6.182 0.674 4.179 460 HG12 ILE 59 2HG1 ILE 59 7.899 -1.819 3.996 461 HG13 ILE 59 1HG1 ILE 59 8.551 -0.223 4.376 462 HG21 ILE 59 1HG2 ILE 59 4.558 -0.728 2.984 463 HG22 ILE 59 2HG2 ILE 59 5.055 -1.518 4.481 464 HG23 ILE 59 3HG2 ILE 59 5.717 -2.056 2.939 465 HD11 ILE 59 3HD1 ILE 59 7.237 -0.067 6.376 466 HD12 ILE 59 1HD1 ILE 59 7.977 -1.669 6.388 467 HD13 ILE 59 2HD1 ILE 59 6.283 -1.483 5.933 468 H PHE 60 H PHE 60 9.542 0.417 1.962 469 HA PHE 60 HA PHE 60 10.188 2.756 3.280 470 HB2 PHE 60 2HB PHE 60 11.426 1.625 0.760 471 HB3 PHE 60 1HB PHE 60 12.160 2.871 1.771 472 HD1 PHE 60 2HD PHE 60 12.988 2.353 4.016 473 HD2 PHE 60 1HD PHE 60 11.233 -0.682 1.535 474 HE1 PHE 60 2HE PHE 60 13.895 0.602 5.519 475 HE2 PHE 60 1HE PHE 60 12.140 -2.435 3.037 476 HZ PHE 60 HZ PHE 60 13.471 -1.793 5.030 477 H ARG 61 H ARG 61 8.702 2.348 0.141 478 HA ARG 61 HA ARG 61 9.164 4.931 -0.901 479 HB2 ARG 61 2HB ARG 61 7.065 2.826 -1.397 480 HB3 ARG 61 1HB ARG 61 6.975 4.395 -2.199 481 HG2 ARG 61 2HG ARG 61 8.176 2.641 -3.543 482 HG3 ARG 61 1HG ARG 61 9.153 4.071 -3.210 483 HD2 ARG 61 2HD ARG 61 10.390 2.959 -1.510 484 HD3 ARG 61 1HD ARG 61 9.236 1.631 -1.431 485 HE ARG 61 HE ARG 61 10.368 0.640 -3.189 486 HH11 ARG 61 1HH2 ARG 61 11.042 4.032 -3.060 487 HH12 ARG 61 2HH2 ARG 61 12.224 3.986 -4.326 488 HH21 ARG 61 1HH1 ARG 61 11.916 0.572 -4.849 489 HH22 ARG 61 2HH1 ARG 61 12.719 2.026 -5.338 490 H LEU 62 H LEU 62 6.427 3.615 0.965 491 HA LEU 62 HA LEU 62 4.789 5.841 1.030 492 HB2 LEU 62 2HB LEU 62 4.594 3.419 2.114 493 HB3 LEU 62 1HB LEU 62 5.159 4.254 3.557 494 HG LEU 62 HG LEU 62 2.699 4.921 1.913 495 HD11 LEU 62 1HD1 LEU 62 2.471 3.001 3.446 496 HD12 LEU 62 2HD1 LEU 62 1.521 4.374 4.013 497 HD13 LEU 62 3HD1 LEU 62 3.062 3.993 4.779 498 HD21 LEU 62 3HD2 LEU 62 4.089 6.391 4.160 499 HD22 LEU 62 1HD2 LEU 62 2.363 6.594 3.862 500 HD23 LEU 62 2HD2 LEU 62 3.527 7.030 2.614 501 H ASP 63 H ASP 63 7.411 5.023 3.311 502 HA ASP 63 HA ASP 63 7.261 7.227 4.984 503 HB2 ASP 63 2HB ASP 63 8.758 5.325 5.390 504 HB3 ASP 63 1HB ASP 63 9.757 5.811 4.020 505 H GLU 64 H GLU 64 7.947 9.319 4.910 506 HA GLU 64 HA GLU 64 8.045 10.727 2.541 507 HB2 GLU 64 2HB GLU 64 9.430 11.426 5.142 508 HB3 GLU 64 1HB GLU 64 9.078 12.556 3.834 509 HG2 GLU 64 2HG GLU 64 6.653 12.014 4.072 510 HG3 GLU 64 1HG GLU 64 7.047 10.994 5.456 511 H ALA 65 H ALA 65 9.374 10.294 0.887 512 HA ALA 65 HA ALA 65 12.145 10.859 1.038 513 HB1 ALA 65 1HB ALA 65 11.381 7.934 0.933 514 HB2 ALA 65 2HB ALA 65 12.367 8.733 2.157 515 HB3 ALA 65 3HB ALA 65 12.979 8.551 0.514 516 H LEU 66 H LEU 66 10.851 8.184 -0.847 517 HA LEU 66 HA LEU 66 11.552 9.472 -3.314 518 HB2 LEU 66 2HB LEU 66 10.157 6.887 -2.627 519 HB3 LEU 66 1HB LEU 66 10.345 7.422 -4.294 520 HG LEU 66 HG LEU 66 12.156 5.863 -3.515 521 HD11 LEU 66 1HD1 LEU 66 12.410 7.877 -5.244 522 HD12 LEU 66 2HD1 LEU 66 13.802 6.920 -4.750 523 HD13 LEU 66 3HD1 LEU 66 13.515 8.494 -4.014 524 HD21 LEU 66 3HD2 LEU 66 13.163 8.175 -1.853 525 HD22 LEU 66 1HD2 LEU 66 13.708 6.500 -1.845 526 HD23 LEU 66 2HD2 LEU 66 12.139 6.916 -1.160 527 H ARG 67 H ARG 67 10.348 11.322 -3.595 528 HA ARG 67 HA ARG 67 7.751 11.032 -4.710 529 HB2 ARG 67 2HB ARG 67 7.146 10.789 -2.315 530 HB3 ARG 67 1HB ARG 67 7.853 12.374 -1.998 531 HG2 ARG 67 2HG ARG 67 6.264 13.439 -3.504 532 HG3 ARG 67 1HG ARG 67 5.610 11.869 -3.976 533 HD2 ARG 67 2HD ARG 67 4.163 12.933 -2.297 534 HD3 ARG 67 1HD ARG 67 4.893 11.468 -1.648 535 HE ARG 67 HE ARG 67 6.557 13.640 -0.995 536 HH11 ARG 67 1HH2 ARG 67 3.397 12.388 -0.347 537 HH12 ARG 67 2HH2 ARG 67 3.306 13.063 1.246 538 HH21 ARG 67 1HH1 ARG 67 6.445 14.528 1.092 539 HH22 ARG 67 2HH1 ARG 67 5.031 14.274 2.060 540 H LYS 68 H LYS 68 8.662 12.236 -6.377 541 HA LYS 68 HA LYS 68 8.428 15.059 -6.163 542 HB2 LYS 68 2HB LYS 68 10.622 14.725 -5.002 543 HB3 LYS 68 1HB LYS 68 11.257 14.040 -6.498 544 HG2 LYS 68 2HG LYS 68 10.794 16.124 -7.690 545 HG3 LYS 68 1HG LYS 68 10.064 16.816 -6.240 546 HD2 LYS 68 2HD LYS 68 12.221 16.598 -5.052 547 HD3 LYS 68 1HD LYS 68 12.951 15.928 -6.513 548 HE2 LYS 68 2HE LYS 68 12.413 18.020 -7.726 549 HE3 LYS 68 1HE LYS 68 11.725 18.690 -6.247 550 HZ1 LYS 68 3HZ LYS 68 14.428 17.615 -6.078 551 HZ2 LYS 68 1HZ LYS 68 13.749 18.970 -5.318 552 HZ3 LYS 68 2HZ LYS 68 14.238 19.066 -6.941 553 H GLY 69 H GLY 69 7.054 14.334 -7.946 554 HA2 GLY 69 2HA GLY 69 8.002 14.982 -10.455 555 HA3 GLY 69 1HA GLY 69 8.179 13.233 -10.334 556 H HIS 70 H HIS 70 6.034 15.810 -10.931 557 HA HIS 70 HA HIS 70 3.550 14.635 -10.288 558 HB2 HIS 70 2HB HIS 70 3.822 17.029 -10.826 559 HB3 HIS 70 1HB HIS 70 4.196 16.604 -12.496 560 HD2 HIS 70 2HD HIS 70 1.951 16.308 -14.099 561 HE1 HIS 70 1HE HIS 70 -0.933 16.110 -11.022 562 HE2 HIS 70 2HE HIS 70 -0.596 16.191 -13.538 563 H SER 71 H SER 71 4.702 15.149 -13.615 564 HA SER 71 HA SER 71 3.064 13.128 -14.717 565 HB2 SER 71 2HB SER 71 5.592 14.355 -15.840 566 HB3 SER 71 1HB SER 71 4.404 13.431 -16.755 567 HG SER 71 HG SER 71 4.120 15.743 -16.851 568 H GLU 72 H GLU 72 3.265 11.080 -13.992 569 HA GLU 72 HA GLU 72 5.626 9.845 -13.106 570 HB2 GLU 72 2HB GLU 72 4.377 7.716 -13.430 571 HB3 GLU 72 1HB GLU 72 3.438 8.932 -12.563 572 HG2 GLU 72 2HG GLU 72 2.361 9.575 -14.725 573 HG3 GLU 72 1HG GLU 72 3.222 8.252 -15.508 574 H GLY 73 H GLY 73 6.594 7.866 -14.173 575 HA2 GLY 73 2HA GLY 73 7.836 8.586 -16.595 576 HA3 GLY 73 1HA GLY 73 7.869 6.981 -15.872 577 H GLY 74 H GLY 74 7.813 6.386 -18.225 578 HA2 GLY 74 2HA GLY 74 5.287 5.363 -18.932 579 HA3 GLY 74 1HA GLY 74 5.582 6.822 -19.875 580 H1 HOH 201 H2 HOH 77 0.065 18.959 -9.159 581 H2 HOH 201 H1 HOH 77 -1.224 18.347 -9.664 Start of MODEL 9 1 H1 VAL 1 1H VAL 1 7.781 12.097 -12.801 2 H2 VAL 1 2H VAL 1 6.490 11.104 -13.283 3 HA VAL 1 HA VAL 1 6.363 13.590 -11.675 4 HB VAL 1 HB VAL 1 5.042 12.778 -14.281 5 HG11 VAL 1 2HG1 VAL 1 3.727 14.411 -13.052 6 HG12 VAL 1 3HG1 VAL 1 4.540 15.237 -14.381 7 HG13 VAL 1 1HG1 VAL 1 5.163 15.386 -12.737 8 HG21 VAL 1 1HG2 VAL 1 7.457 14.515 -13.686 9 HG22 VAL 1 2HG2 VAL 1 6.625 14.499 -15.241 10 HG23 VAL 1 3HG2 VAL 1 7.420 13.039 -14.652 11 H ASP 2 H ASP 2 4.354 11.026 -13.149 12 HA ASP 2 HA ASP 2 2.392 10.047 -12.466 13 HB2 ASP 2 2HB ASP 2 3.234 10.838 -9.675 14 HB3 ASP 2 1HB ASP 2 2.200 9.492 -10.149 15 H MET 3 H MET 3 1.312 11.882 -13.530 16 HA MET 3 HA MET 3 0.365 14.075 -11.913 17 HB2 MET 3 2HB MET 3 0.800 14.159 -14.416 18 HB3 MET 3 1HB MET 3 -0.682 13.223 -14.614 19 HG2 MET 3 2HG MET 3 -1.304 15.531 -14.825 20 HG3 MET 3 1HG MET 3 -1.859 15.006 -13.237 21 HE1 MET 3 3HE MET 3 -1.898 17.803 -13.683 22 HE2 MET 3 1HE MET 3 -0.908 18.621 -12.466 23 HE3 MET 3 2HE MET 3 -1.972 17.299 -11.996 24 H SER 4 H SER 4 -1.080 11.156 -13.344 25 HA SER 4 HA SER 4 -3.685 11.629 -12.277 26 HB2 SER 4 2HB SER 4 -2.423 9.052 -13.236 27 HB3 SER 4 1HB SER 4 -4.141 9.308 -12.948 28 HG SER 4 HG SER 4 -2.471 10.311 -14.962 29 H ASN 5 H ASN 5 -1.032 9.447 -11.332 30 HA ASN 5 HA ASN 5 -0.553 8.402 -9.342 31 HB2 ASN 5 2HB ASN 5 -2.231 10.586 -8.097 32 HB3 ASN 5 1HB ASN 5 -0.963 9.640 -7.319 33 HD21 ASN 5 1HD2 ASN 5 1.300 10.009 -8.109 34 HD22 ASN 5 2HD2 ASN 5 1.697 11.494 -8.828 35 H VAL 6 H VAL 6 -1.940 6.638 -10.119 36 HA VAL 6 HA VAL 6 -4.667 6.438 -9.289 37 HB VAL 6 HB VAL 6 -2.782 4.185 -10.011 38 HG11 VAL 6 1HG1 VAL 6 -5.798 4.500 -10.138 39 HG12 VAL 6 2HG1 VAL 6 -4.906 3.471 -9.015 40 HG13 VAL 6 3HG1 VAL 6 -4.901 3.106 -10.742 41 HG21 VAL 6 3HG2 VAL 6 -2.754 5.929 -11.752 42 HG22 VAL 6 1HG2 VAL 6 -4.517 5.934 -11.784 43 HG23 VAL 6 2HG2 VAL 6 -3.630 4.507 -12.319 44 H VAL 7 H VAL 7 -5.121 6.516 -7.166 45 HA VAL 7 HA VAL 7 -3.379 5.356 -5.174 46 HB VAL 7 HB VAL 7 -5.092 6.118 -3.578 47 HG11 VAL 7 1HG1 VAL 7 -4.446 8.128 -5.758 48 HG12 VAL 7 2HG1 VAL 7 -3.410 7.721 -4.390 49 HG13 VAL 7 3HG1 VAL 7 -4.954 8.531 -4.117 50 HG21 VAL 7 3HG2 VAL 7 -7.117 5.675 -4.806 51 HG22 VAL 7 1HG2 VAL 7 -6.616 6.732 -6.125 52 HG23 VAL 7 2HG2 VAL 7 -7.040 7.418 -4.557 53 H LYS 8 H LYS 8 -4.467 3.955 -3.434 54 HA LYS 8 HA LYS 8 -6.507 2.120 -4.365 55 HB2 LYS 8 2HB LYS 8 -4.339 1.314 -5.411 56 HB3 LYS 8 1HB LYS 8 -3.753 1.022 -3.783 57 HG2 LYS 8 2HG LYS 8 -4.773 -1.017 -3.803 58 HG3 LYS 8 1HG LYS 8 -6.331 -0.199 -3.875 59 HD2 LYS 8 2HD LYS 8 -4.673 -0.766 -6.354 60 HD3 LYS 8 1HD LYS 8 -5.872 -1.891 -5.730 61 HE2 LYS 8 2HE LYS 8 -7.027 -0.617 -7.367 62 HE3 LYS 8 1HE LYS 8 -7.539 0.064 -5.824 63 HZ1 LYS 8 3HZ LYS 8 -5.337 1.141 -7.501 64 HZ2 LYS 8 1HZ LYS 8 -5.951 1.829 -6.078 65 HZ3 LYS 8 2HZ LYS 8 -6.918 1.758 -7.473 66 H THR 9 H THR 9 -7.349 0.837 -2.698 67 HA THR 9 HA THR 9 -6.152 0.951 -0.042 68 HB THR 9 HB THR 9 -8.928 2.063 -0.505 69 HG1 THR 9 1HG THR 9 -6.823 3.600 0.460 70 HG21 THR 9 3HG2 THR 9 -7.139 1.891 1.936 71 HG22 THR 9 1HG2 THR 9 -8.632 0.990 1.671 72 HG23 THR 9 2HG2 THR 9 -8.683 2.742 1.877 73 H TYR 10 H TYR 10 -6.182 -1.142 0.455 74 HA TYR 10 HA TYR 10 -8.592 -2.753 -0.176 75 HB2 TYR 10 2HB TYR 10 -5.690 -3.488 0.206 76 HB3 TYR 10 1HB TYR 10 -6.967 -4.689 0.280 77 HD1 TYR 10 2HD TYR 10 -8.766 -4.419 -1.751 78 HD2 TYR 10 1HD TYR 10 -4.632 -3.232 -1.870 79 HE1 TYR 10 2HE TYR 10 -8.796 -4.566 -4.220 80 HE2 TYR 10 1HE TYR 10 -4.670 -3.383 -4.345 81 HH TYR 10 HH TYR 10 -5.983 -4.569 -6.094 82 H ASP 11 H ASP 11 -9.878 -2.438 1.607 83 HA ASP 11 HA ASP 11 -9.023 -2.176 4.259 84 HB2 ASP 11 2HB ASP 11 -11.618 -3.244 3.137 85 HB3 ASP 11 1HB ASP 11 -11.349 -2.871 4.839 86 H LEU 12 H LEU 12 -7.499 -3.660 4.878 87 HA LEU 12 HA LEU 12 -7.802 -6.485 4.495 88 HB2 LEU 12 2HB LEU 12 -5.795 -4.639 5.491 89 HB3 LEU 12 1HB LEU 12 -5.946 -5.988 6.606 90 HG LEU 12 HG LEU 12 -5.407 -7.582 4.898 91 HD11 LEU 12 1HD1 LEU 12 -4.761 -6.395 2.536 92 HD12 LEU 12 2HD1 LEU 12 -6.099 -5.358 3.032 93 HD13 LEU 12 3HD1 LEU 12 -6.342 -7.095 2.857 94 HD21 LEU 12 3HD2 LEU 12 -3.491 -6.432 5.851 95 HD22 LEU 12 1HD2 LEU 12 -3.656 -5.113 4.690 96 HD23 LEU 12 2HD2 LEU 12 -3.177 -6.715 4.139 97 H GLN 13 H GLN 13 -7.833 -8.041 6.296 98 HA GLN 13 HA GLN 13 -10.066 -7.466 8.043 99 HB2 GLN 13 2HB GLN 13 -8.331 -9.894 7.580 100 HB3 GLN 13 1HB GLN 13 -9.561 -9.848 8.848 101 HG2 GLN 13 2HG GLN 13 -10.209 -9.141 5.981 102 HG3 GLN 13 1HG GLN 13 -10.276 -10.804 6.566 103 HE21 GLN 13 1HE2 GLN 13 -11.938 -7.739 6.552 104 HE22 GLN 13 2HE2 GLN 13 -13.248 -8.222 7.528 105 H ASP 14 H ASP 14 -6.656 -7.249 8.229 106 HA ASP 14 HA ASP 14 -6.464 -7.581 11.098 107 HB2 ASP 14 2HB ASP 14 -4.582 -8.120 9.564 108 HB3 ASP 14 1HB ASP 14 -4.463 -6.407 9.158 109 H GLY 15 H GLY 15 -8.067 -5.368 9.520 110 HA2 GLY 15 2HA GLY 15 -8.882 -3.319 10.263 111 HA3 GLY 15 1HA GLY 15 -7.669 -3.331 11.544 112 H SER 16 H SER 16 -5.793 -4.032 9.097 113 HA SER 16 HA SER 16 -4.968 -1.262 8.671 114 HB2 SER 16 2HB SER 16 -2.985 -2.247 7.641 115 HB3 SER 16 1HB SER 16 -3.295 -3.011 9.201 116 HG SER 16 HG SER 16 -4.668 -4.320 7.347 117 H LYS 17 H LYS 17 -4.046 -0.943 6.299 118 HA LYS 17 HA LYS 17 -5.878 -2.004 4.265 119 HB2 LYS 17 2HB LYS 17 -5.478 0.975 4.524 120 HB3 LYS 17 1HB LYS 17 -6.640 0.112 3.517 121 HG2 LYS 17 2HG LYS 17 -7.728 -0.752 5.597 122 HG3 LYS 17 1HG LYS 17 -6.629 0.253 6.539 123 HD2 LYS 17 2HD LYS 17 -7.514 2.273 5.567 124 HD3 LYS 17 1HD LYS 17 -8.463 1.353 4.397 125 HE2 LYS 17 2HE LYS 17 -9.838 0.419 6.177 126 HE3 LYS 17 1HE LYS 17 -8.835 1.196 7.402 127 HZ1 LYS 17 3HZ LYS 17 -9.437 3.345 6.206 128 HZ2 LYS 17 1HZ LYS 17 -10.641 2.615 7.149 129 HZ3 LYS 17 2HZ LYS 17 -10.672 2.450 5.459 130 H VAL 18 H VAL 18 -4.793 -2.465 2.475 131 HA VAL 18 HA VAL 18 -2.014 -1.669 2.240 132 HB VAL 18 HB VAL 18 -3.396 -3.086 -0.008 133 HG11 VAL 18 1HG1 VAL 18 -1.298 -4.385 0.011 134 HG12 VAL 18 2HG1 VAL 18 -0.768 -3.488 1.435 135 HG13 VAL 18 3HG1 VAL 18 -0.995 -2.651 -0.103 136 HG21 VAL 18 3HG2 VAL 18 -2.751 -4.462 2.612 137 HG22 VAL 18 1HG2 VAL 18 -3.325 -5.238 1.132 138 HG23 VAL 18 2HG2 VAL 18 -4.380 -4.141 2.019 139 H HIS 19 H HIS 19 -1.146 -0.307 0.681 140 HA HIS 19 HA HIS 19 -2.966 1.041 -1.198 141 HB2 HIS 19 2HB HIS 19 -2.651 3.155 -0.355 142 HB3 HIS 19 1HB HIS 19 -2.369 2.279 1.145 143 HD1 HIS 19 1HD HIS 19 -0.860 4.736 -1.006 144 HD2 HIS 19 2HD HIS 19 0.627 1.714 1.455 145 HE1 HIS 19 1HE HIS 19 1.577 5.285 -0.584 146 HE2 HIS 19 2HE HIS 19 2.492 3.453 0.914 147 H VAL 20 H VAL 20 -2.129 0.764 -3.163 148 HA VAL 20 HA VAL 20 0.712 0.212 -3.449 149 HB VAL 20 HB VAL 20 0.210 -0.843 -5.434 150 HG11 VAL 20 1HG1 VAL 20 -2.641 -0.913 -4.536 151 HG12 VAL 20 2HG1 VAL 20 -1.419 -1.510 -3.428 152 HG13 VAL 20 3HG1 VAL 20 -1.592 -2.238 -5.022 153 HG21 VAL 20 3HG2 VAL 20 -1.984 1.214 -5.763 154 HG22 VAL 20 1HG2 VAL 20 -1.852 -0.197 -6.814 155 HG23 VAL 20 2HG2 VAL 20 -0.548 0.987 -6.760 156 H PHE 21 H PHE 21 2.035 1.234 -5.039 157 HA PHE 21 HA PHE 21 1.519 4.128 -5.220 158 HB2 PHE 21 2HB PHE 21 4.004 2.435 -5.539 159 HB3 PHE 21 1HB PHE 21 3.963 4.156 -5.914 160 HD1 PHE 21 1HD PHE 21 3.338 1.675 -3.201 161 HD2 PHE 21 2HD PHE 21 4.095 5.787 -4.189 162 HE1 PHE 21 1HE PHE 21 3.624 2.201 -0.796 163 HE2 PHE 21 2HE PHE 21 4.381 6.312 -1.783 164 HZ PHE 21 HZ PHE 21 4.146 4.518 -0.087 165 H LYS 22 H LYS 22 3.102 4.779 -7.369 166 HA LYS 22 HA LYS 22 1.358 4.185 -9.565 167 HB2 LYS 22 2HB LYS 22 2.653 6.364 -9.130 168 HB3 LYS 22 1HB LYS 22 4.058 5.514 -9.767 169 HG2 LYS 22 2HG LYS 22 3.230 6.500 -11.712 170 HG3 LYS 22 1HG LYS 22 2.440 4.928 -11.778 171 HD2 LYS 22 2HD LYS 22 0.394 5.864 -10.840 172 HD3 LYS 22 1HD LYS 22 1.180 7.422 -10.588 173 HE2 LYS 22 2HE LYS 22 1.454 7.733 -12.979 174 HE3 LYS 22 1HE LYS 22 0.845 6.109 -13.299 175 HZ1 LYS 22 3HZ LYS 22 -0.760 8.071 -13.513 176 HZ2 LYS 22 1HZ LYS 22 -0.783 8.074 -11.818 177 HZ3 LYS 22 2HZ LYS 22 -1.290 6.695 -12.670 178 H ASP 23 H ASP 23 4.298 2.834 -8.339 179 HA ASP 23 HA ASP 23 5.120 1.600 -10.811 180 HB2 ASP 23 2HB ASP 23 5.959 0.855 -8.010 181 HB3 ASP 23 1HB ASP 23 6.829 0.538 -9.510 182 H GLY 24 H GLY 24 2.591 1.009 -8.743 183 HA2 GLY 24 2HA GLY 24 1.005 -0.702 -8.972 184 HA3 GLY 24 1HA GLY 24 2.185 -1.659 -9.861 185 H LYS 25 H LYS 25 4.052 -0.833 -7.427 186 HA LYS 25 HA LYS 25 3.766 -3.325 -6.050 187 HB2 LYS 25 2HB LYS 25 5.577 -2.510 -4.649 188 HB3 LYS 25 1HB LYS 25 5.916 -2.110 -6.322 189 HG2 LYS 25 2HG LYS 25 5.088 0.186 -5.950 190 HG3 LYS 25 1HG LYS 25 4.724 -0.211 -4.274 191 HD2 LYS 25 2HD LYS 25 6.821 0.759 -4.026 192 HD3 LYS 25 1HD LYS 25 7.271 -0.935 -4.193 193 HE2 LYS 25 2HE LYS 25 7.444 -0.425 -6.732 194 HE3 LYS 25 1HE LYS 25 7.442 1.270 -6.248 195 HZ1 LYS 25 3HZ LYS 25 9.349 0.874 -4.866 196 HZ2 LYS 25 1HZ LYS 25 9.687 0.340 -6.440 197 HZ3 LYS 25 2HZ LYS 25 9.320 -0.787 -5.221 198 H MET 26 H MET 26 2.958 -3.752 -3.996 199 HA MET 26 HA MET 26 0.836 -2.004 -3.078 200 HB2 MET 26 2HB MET 26 1.799 -4.759 -2.360 201 HB3 MET 26 1HB MET 26 0.696 -3.909 -1.275 202 HG2 MET 26 2HG MET 26 -0.964 -3.703 -2.977 203 HG3 MET 26 1HG MET 26 0.155 -4.235 -4.230 204 HE1 MET 26 3HE MET 26 -1.475 -5.677 -5.085 205 HE2 MET 26 1HE MET 26 -1.689 -7.364 -4.594 206 HE3 MET 26 2HE MET 26 -0.106 -6.788 -5.115 207 H GLY 27 H GLY 27 0.731 -2.207 -0.428 208 HA2 GLY 27 2HA GLY 27 3.113 -1.822 1.043 209 HA3 GLY 27 1HA GLY 27 2.532 -0.244 0.516 210 H MET 28 H MET 28 2.576 -2.037 3.154 211 HA MET 28 HA MET 28 -0.183 -2.154 3.926 212 HB2 MET 28 2HB MET 28 2.297 -2.194 5.656 213 HB3 MET 28 1HB MET 28 0.669 -2.635 6.172 214 HG2 MET 28 2HG MET 28 2.219 -3.998 3.955 215 HG3 MET 28 1HG MET 28 2.052 -4.619 5.594 216 HE1 MET 28 3HE MET 28 -1.421 -4.001 6.137 217 HE2 MET 28 1HE MET 28 0.033 -4.782 6.778 218 HE3 MET 28 2HE MET 28 -1.290 -5.758 6.154 219 H GLU 29 H GLU 29 -1.204 -0.945 5.571 220 HA GLU 29 HA GLU 29 -0.049 1.533 6.508 221 HB2 GLU 29 2HB GLU 29 -1.040 1.918 4.118 222 HB3 GLU 29 1HB GLU 29 -2.602 1.808 4.925 223 HG2 GLU 29 2HG GLU 29 -0.367 3.729 5.644 224 HG3 GLU 29 1HG GLU 29 -1.855 4.150 4.799 225 H ASN 30 H ASN 30 -0.500 1.081 8.606 226 HA ASN 30 HA ASN 30 -2.917 -0.227 9.410 227 HB2 ASN 30 2HB ASN 30 -2.061 -0.156 11.595 228 HB3 ASN 30 1HB ASN 30 -0.634 -0.292 10.573 229 HD21 ASN 30 1HD2 ASN 30 -1.261 2.731 9.842 230 HD22 ASN 30 2HD2 ASN 30 -0.547 3.564 11.144 231 H LYS 31 H LYS 31 -3.990 0.926 11.494 232 HA LYS 31 HA LYS 31 -5.590 3.006 10.405 233 HB2 LYS 31 2HB LYS 31 -6.428 1.388 12.051 234 HB3 LYS 31 1HB LYS 31 -5.340 2.051 13.268 235 HG2 LYS 31 2HG LYS 31 -7.093 4.058 11.915 236 HG3 LYS 31 1HG LYS 31 -7.938 2.887 12.922 237 HD2 LYS 31 2HD LYS 31 -6.379 3.455 14.805 238 HD3 LYS 31 1HD LYS 31 -5.687 4.724 13.797 239 HE2 LYS 31 2HE LYS 31 -7.430 5.626 15.299 240 HE3 LYS 31 1HE LYS 31 -7.898 5.791 13.607 241 HZ1 LYS 31 3HZ LYS 31 -9.477 4.178 13.785 242 HZ2 LYS 31 1HZ LYS 31 -9.536 4.795 15.363 243 HZ3 LYS 31 2HZ LYS 31 -8.681 3.361 15.045 244 H PHE 32 H PHE 32 -2.667 3.021 12.295 245 HA PHE 32 HA PHE 32 -2.982 5.748 13.214 246 HB2 PHE 32 2HB PHE 32 -0.582 3.903 13.211 247 HB3 PHE 32 1HB PHE 32 -0.640 5.486 13.990 248 HD1 PHE 32 1HD PHE 32 -2.426 2.194 13.877 249 HD2 PHE 32 2HD PHE 32 -1.460 5.684 16.190 250 HE1 PHE 32 1HE PHE 32 -3.492 1.170 15.868 251 HE2 PHE 32 2HE PHE 32 -2.527 4.658 18.180 252 HZ PHE 32 HZ PHE 32 -3.543 2.402 18.019 253 H GLY 33 H GLY 33 -2.848 4.861 10.234 254 HA2 GLY 33 2HA GLY 33 -2.182 5.878 8.276 255 HA3 GLY 33 1HA GLY 33 -1.641 7.239 9.258 256 H LYS 34 H LYS 34 -0.216 4.530 10.485 257 HA LYS 34 HA LYS 34 2.332 5.116 9.133 258 HB2 LYS 34 2HB LYS 34 1.653 3.596 11.659 259 HB3 LYS 34 1HB LYS 34 3.281 3.708 10.988 260 HG2 LYS 34 2HG LYS 34 3.181 6.167 11.138 261 HG3 LYS 34 1HG LYS 34 1.549 6.062 11.803 262 HD2 LYS 34 2HD LYS 34 2.449 4.710 13.698 263 HD3 LYS 34 1HD LYS 34 4.076 4.953 13.061 264 HE2 LYS 34 2HE LYS 34 2.169 7.137 13.953 265 HE3 LYS 34 1HE LYS 34 3.612 6.604 14.816 266 HZ1 LYS 34 3HZ LYS 34 4.364 8.421 13.643 267 HZ2 LYS 34 1HZ LYS 34 3.412 8.087 12.280 268 HZ3 LYS 34 2HZ LYS 34 4.787 7.145 12.605 269 H SER 35 H SER 35 3.711 3.337 8.477 270 HA SER 35 HA SER 35 2.209 1.294 7.064 271 HB2 SER 35 2HB SER 35 5.125 2.058 7.158 272 HB3 SER 35 1HB SER 35 4.552 0.640 6.283 273 HG SER 35 HG SER 35 4.388 2.184 4.796 274 H MET 36 H MET 36 3.055 -0.984 7.085 275 HA MET 36 HA MET 36 4.147 -1.863 9.666 276 HB2 MET 36 2HB MET 36 1.392 -2.482 8.614 277 HB3 MET 36 1HB MET 36 2.244 -3.686 9.579 278 HG2 MET 36 2HG MET 36 1.835 -0.821 10.472 279 HG3 MET 36 1HG MET 36 0.753 -2.145 10.911 280 HE1 MET 36 3HE MET 36 1.967 -0.517 13.215 281 HE2 MET 36 1HE MET 36 2.405 -1.861 14.278 282 HE3 MET 36 2HE MET 36 0.934 -1.941 13.314 283 H ASN 37 H ASN 37 5.856 -3.013 9.064 284 HA ASN 37 HA ASN 37 6.399 -4.044 6.554 285 HB2 ASN 37 2HB ASN 37 7.962 -3.777 8.571 286 HB3 ASN 37 1HB ASN 37 7.379 -5.360 9.082 287 HD21 ASN 37 1HD2 ASN 37 7.207 -6.770 6.693 288 HD22 ASN 37 2HD2 ASN 37 8.737 -6.858 5.953 289 H MET 38 H MET 38 5.961 -5.864 5.458 290 HA MET 38 HA MET 38 4.671 -8.131 6.805 291 HB2 MET 38 2HB MET 38 2.798 -6.767 6.061 292 HB3 MET 38 1HB MET 38 3.462 -6.718 4.422 293 HG2 MET 38 2HG MET 38 3.166 -9.073 4.143 294 HG3 MET 38 1HG MET 38 2.870 -9.312 5.852 295 HE1 MET 38 3HE MET 38 -0.745 -9.256 6.223 296 HE2 MET 38 1HE MET 38 0.641 -8.609 7.113 297 HE3 MET 38 2HE MET 38 0.745 -10.192 6.346 298 HA PRO 39 HA PRO 39 7.865 -9.901 4.051 299 HB2 PRO 39 2HB PRO 39 6.350 -12.406 4.705 300 HB3 PRO 39 1HB PRO 39 8.099 -12.101 4.753 301 HG2 PRO 39 2HG PRO 39 6.640 -12.209 6.989 302 HG3 PRO 39 1HG PRO 39 7.999 -11.084 6.818 303 HD2 PRO 39 2HD PRO 39 5.066 -10.506 6.764 304 HD3 PRO 39 1HD PRO 39 6.411 -9.484 7.298 305 H GLU 40 H GLU 40 7.839 -10.335 1.878 306 HA GLU 40 HA GLU 40 5.440 -10.027 0.408 307 HB2 GLU 40 2HB GLU 40 6.800 -10.619 -1.556 308 HB3 GLU 40 1HB GLU 40 7.646 -9.460 -0.526 309 HG2 GLU 40 2HG GLU 40 8.740 -11.514 0.584 310 HG3 GLU 40 1HG GLU 40 8.144 -12.425 -0.805 311 H GLY 41 H GLY 41 3.910 -11.460 -0.102 312 HA2 GLY 41 2HA GLY 41 3.269 -13.620 -0.999 313 HA3 GLY 41 1HA GLY 41 4.554 -14.358 -0.045 314 H LYS 42 H LYS 42 3.499 -12.232 2.084 315 HA LYS 42 HA LYS 42 1.930 -14.151 3.533 316 HB2 LYS 42 2HB LYS 42 2.933 -11.373 4.032 317 HB3 LYS 42 1HB LYS 42 1.593 -11.946 5.020 318 HG2 LYS 42 2HG LYS 42 3.991 -13.735 4.664 319 HG3 LYS 42 1HG LYS 42 4.115 -12.370 5.767 320 HD2 LYS 42 2HD LYS 42 2.357 -13.169 7.142 321 HD3 LYS 42 1HD LYS 42 1.808 -14.312 5.915 322 HE2 LYS 42 2HE LYS 42 3.786 -15.671 6.201 323 HE3 LYS 42 1HE LYS 42 4.520 -14.465 7.257 324 HZ1 LYS 42 3HZ LYS 42 3.644 -15.799 8.833 325 HZ2 LYS 42 1HZ LYS 42 2.422 -16.403 7.823 326 HZ3 LYS 42 2HZ LYS 42 2.249 -14.873 8.541 327 H VAL 43 H VAL 43 0.419 -14.371 1.721 328 HA VAL 43 HA VAL 43 -1.338 -12.779 0.550 329 HB VAL 43 HB VAL 43 -2.247 -15.229 2.059 330 HG11 VAL 43 1HG1 VAL 43 -3.787 -15.397 0.073 331 HG12 VAL 43 2HG1 VAL 43 -3.230 -13.799 -0.427 332 HG13 VAL 43 3HG1 VAL 43 -4.097 -13.995 1.097 333 HG21 VAL 43 3HG2 VAL 43 -0.268 -15.815 0.810 334 HG22 VAL 43 1HG2 VAL 43 -0.818 -14.898 -0.594 335 HG23 VAL 43 2HG2 VAL 43 -1.658 -16.376 -0.122 336 H MET 44 H MET 44 -2.854 -11.325 0.970 337 HA MET 44 HA MET 44 -3.838 -11.033 3.762 338 HB2 MET 44 2HB MET 44 -3.761 -8.868 1.663 339 HB3 MET 44 1HB MET 44 -4.039 -8.692 3.378 340 HG2 MET 44 2HG MET 44 -1.776 -9.064 3.901 341 HG3 MET 44 1HG MET 44 -1.440 -9.814 2.346 342 HE1 MET 44 3HE MET 44 -2.696 -7.557 0.105 343 HE2 MET 44 1HE MET 44 -1.494 -8.845 0.245 344 HE3 MET 44 2HE MET 44 -0.994 -7.208 -0.157 345 H GLU 45 H GLU 45 -6.076 -10.597 4.015 346 HA GLU 45 HA GLU 45 -7.749 -11.066 1.599 347 HB2 GLU 45 2HB GLU 45 -7.617 -13.090 3.042 348 HB3 GLU 45 1HB GLU 45 -8.274 -12.142 4.380 349 HG2 GLU 45 2HG GLU 45 -10.319 -11.716 3.148 350 HG3 GLU 45 1HG GLU 45 -9.658 -12.486 1.704 351 H THR 46 H THR 46 -9.092 -9.444 1.216 352 HA THR 46 HA THR 46 -9.527 -7.385 3.195 353 HB THR 46 HB THR 46 -10.703 -6.217 1.451 354 HG1 THR 46 1HG THR 46 -11.668 -7.251 -0.097 355 HG21 THR 46 3HG2 THR 46 -8.375 -7.768 0.285 356 HG22 THR 46 1HG2 THR 46 -8.238 -6.332 1.299 357 HG23 THR 46 2HG2 THR 46 -8.981 -6.217 -0.295 358 H ARG 47 H ARG 47 -11.789 -6.545 3.547 359 HA ARG 47 HA ARG 47 -13.337 -8.405 4.928 360 HB2 ARG 47 2HB ARG 47 -14.270 -5.810 3.675 361 HB3 ARG 47 1HB ARG 47 -15.077 -6.685 4.978 362 HG2 ARG 47 2HG ARG 47 -13.293 -6.270 6.500 363 HG3 ARG 47 1HG ARG 47 -12.213 -5.742 5.209 364 HD2 ARG 47 2HD ARG 47 -13.568 -3.761 4.822 365 HD3 ARG 47 1HD ARG 47 -14.769 -4.313 5.985 366 HE ARG 47 HE ARG 47 -12.171 -4.092 7.173 367 HH11 ARG 47 1HH2 ARG 47 -14.950 -2.331 6.101 368 HH12 ARG 47 2HH2 ARG 47 -14.718 -1.021 7.209 369 HH21 ARG 47 1HH1 ARG 47 -11.861 -2.376 8.629 370 HH22 ARG 47 2HH1 ARG 47 -12.970 -1.046 8.641 371 H ASP 48 H ASP 48 -13.569 -7.284 1.586 372 HA ASP 48 HA ASP 48 -16.007 -8.687 1.022 373 HB2 ASP 48 2HB ASP 48 -15.329 -6.723 -0.288 374 HB3 ASP 48 1HB ASP 48 -13.895 -7.588 -0.850 375 H GLY 49 H GLY 49 -13.009 -9.797 1.737 376 HA2 GLY 49 2HA GLY 49 -12.168 -11.955 1.659 377 HA3 GLY 49 1HA GLY 49 -13.562 -12.425 0.688 378 H THR 50 H THR 50 -11.460 -9.737 -0.142 379 HA THR 50 HA THR 50 -10.872 -10.974 -2.713 380 HB THR 50 HB THR 50 -9.812 -8.339 -1.689 381 HG1 THR 50 1HG THR 50 -11.766 -7.628 -1.758 382 HG21 THR 50 3HG2 THR 50 -9.860 -7.793 -4.104 383 HG22 THR 50 1HG2 THR 50 -10.447 -9.422 -4.447 384 HG23 THR 50 2HG2 THR 50 -8.835 -9.189 -3.768 385 H LYS 51 H LYS 51 -9.207 -12.324 -2.929 386 HA LYS 51 HA LYS 51 -7.083 -12.432 -0.985 387 HB2 LYS 51 2HB LYS 51 -7.985 -14.453 -2.131 388 HB3 LYS 51 1HB LYS 51 -7.296 -13.861 -3.645 389 HG2 LYS 51 2HG LYS 51 -5.043 -13.853 -2.593 390 HG3 LYS 51 1HG LYS 51 -5.745 -14.505 -1.114 391 HD2 LYS 51 2HD LYS 51 -5.893 -15.855 -3.828 392 HD3 LYS 51 1HD LYS 51 -4.725 -16.265 -2.574 393 HE2 LYS 51 2HE LYS 51 -6.863 -16.554 -1.061 394 HE3 LYS 51 1HE LYS 51 -7.698 -16.713 -2.606 395 HZ1 LYS 51 3HZ LYS 51 -6.497 -18.589 -3.160 396 HZ2 LYS 51 1HZ LYS 51 -6.766 -18.806 -1.500 397 HZ3 LYS 51 2HZ LYS 51 -5.253 -18.262 -2.050 398 H ILE 52 H ILE 52 -5.611 -10.870 -0.972 399 HA ILE 52 HA ILE 52 -4.344 -10.082 -3.540 400 HB ILE 52 HB ILE 52 -3.856 -7.892 -2.090 401 HG12 ILE 52 2HG1 ILE 52 -6.537 -8.772 -1.000 402 HG13 ILE 52 1HG1 ILE 52 -5.042 -8.939 -0.102 403 HG21 ILE 52 1HG2 ILE 52 -5.134 -7.994 -4.225 404 HG22 ILE 52 2HG2 ILE 52 -5.829 -6.852 -3.072 405 HG23 ILE 52 3HG2 ILE 52 -6.577 -8.432 -3.304 406 HD11 ILE 52 3HD1 ILE 52 -4.664 -6.466 -0.425 407 HD12 ILE 52 1HD1 ILE 52 -6.083 -6.850 0.546 408 HD13 ILE 52 2HD1 ILE 52 -6.270 -6.383 -1.143 409 H ILE 53 H ILE 53 -2.228 -10.429 -3.641 410 HA ILE 53 HA ILE 53 -0.848 -11.496 -1.299 411 HB ILE 53 HB ILE 53 0.121 -11.200 -4.147 412 HG12 ILE 53 2HG1 ILE 53 -1.020 -13.636 -2.744 413 HG13 ILE 53 1HG1 ILE 53 -1.941 -12.624 -3.862 414 HG21 ILE 53 1HG2 ILE 53 1.727 -12.970 -3.421 415 HG22 ILE 53 2HG2 ILE 53 1.107 -12.819 -1.778 416 HG23 ILE 53 3HG2 ILE 53 1.938 -11.461 -2.534 417 HD11 ILE 53 3HD1 ILE 53 0.612 -14.126 -4.514 418 HD12 ILE 53 1HD1 ILE 53 -0.261 -13.076 -5.629 419 HD13 ILE 53 2HD1 ILE 53 -1.012 -14.562 -5.048 420 H MET 54 H MET 54 0.914 -10.625 -0.321 421 HA MET 54 HA MET 54 1.251 -7.782 -0.480 422 HB2 MET 54 2HB MET 54 1.526 -9.103 1.627 423 HB3 MET 54 1HB MET 54 2.984 -9.825 0.941 424 HG2 MET 54 2HG MET 54 3.692 -7.969 2.308 425 HG3 MET 54 1HG MET 54 3.888 -7.481 0.638 426 HE1 MET 54 3HE MET 54 3.994 -4.905 1.600 427 HE2 MET 54 1HE MET 54 2.562 -4.099 0.948 428 HE3 MET 54 2HE MET 54 3.413 -5.301 -0.016 429 H LYS 55 H LYS 55 1.876 -7.404 -2.634 430 HA LYS 55 HA LYS 55 4.247 -8.625 -3.724 431 HB2 LYS 55 2HB LYS 55 2.281 -7.962 -5.114 432 HB3 LYS 55 1HB LYS 55 2.632 -6.276 -4.742 433 HG2 LYS 55 2HG LYS 55 3.587 -6.802 -6.901 434 HG3 LYS 55 1HG LYS 55 4.897 -6.563 -5.755 435 HD2 LYS 55 2HD LYS 55 3.963 -9.382 -5.917 436 HD3 LYS 55 1HD LYS 55 4.620 -8.773 -7.430 437 HE2 LYS 55 2HE LYS 55 6.168 -8.283 -4.900 438 HE3 LYS 55 1HE LYS 55 6.219 -9.878 -5.641 439 HZ1 LYS 55 3HZ LYS 55 6.868 -7.312 -6.984 440 HZ2 LYS 55 1HZ LYS 55 6.879 -8.836 -7.727 441 HZ3 LYS 55 2HZ LYS 55 7.986 -8.491 -6.484 442 H GLY 56 H GLY 56 3.333 -5.240 -3.114 443 HA2 GLY 56 2HA GLY 56 6.026 -4.300 -3.243 444 HA3 GLY 56 1HA GLY 56 4.615 -3.368 -2.764 445 H ASN 57 H ASN 57 7.013 -5.704 -1.561 446 HA ASN 57 HA ASN 57 6.241 -5.328 1.187 447 HB2 ASN 57 2HB ASN 57 7.319 -7.406 0.544 448 HB3 ASN 57 1HB ASN 57 8.743 -6.531 -0.019 449 HD21 ASN 57 1HD2 ASN 57 7.029 -5.501 2.893 450 HD22 ASN 57 2HD2 ASN 57 8.242 -5.975 3.990 451 H GLU 58 H GLU 58 7.857 -3.432 -1.041 452 HA GLU 58 HA GLU 58 9.726 -2.178 0.794 453 HB2 GLU 58 2HB GLU 58 8.846 -1.408 -2.001 454 HB3 GLU 58 1HB GLU 58 10.152 -0.639 -1.099 455 HG2 GLU 58 2HG GLU 58 11.179 -2.265 -2.532 456 HG3 GLU 58 1HG GLU 58 11.218 -2.935 -0.901 457 H ILE 59 H ILE 59 7.853 -1.803 2.330 458 HA ILE 59 HA ILE 59 5.892 0.178 1.741 459 HB ILE 59 HB ILE 59 5.636 0.217 4.257 460 HG12 ILE 59 2HG1 ILE 59 7.660 -2.035 4.158 461 HG13 ILE 59 1HG1 ILE 59 8.100 -0.383 4.601 462 HG21 ILE 59 1HG2 ILE 59 5.597 -2.371 2.691 463 HG22 ILE 59 2HG2 ILE 59 4.244 -1.293 3.041 464 HG23 ILE 59 3HG2 ILE 59 4.963 -2.255 4.333 465 HD11 ILE 59 3HD1 ILE 59 7.514 -1.987 6.526 466 HD12 ILE 59 1HD1 ILE 59 5.843 -1.846 5.976 467 HD13 ILE 59 2HD1 ILE 59 6.714 -0.416 6.527 468 H PHE 60 H PHE 60 9.214 0.384 2.356 469 HA PHE 60 HA PHE 60 9.581 2.630 3.902 470 HB2 PHE 60 2HB PHE 60 11.078 1.859 1.387 471 HB3 PHE 60 1HB PHE 60 11.645 3.019 2.588 472 HD1 PHE 60 1HD PHE 60 12.329 2.293 4.828 473 HD2 PHE 60 2HD PHE 60 10.999 -0.530 1.876 474 HE1 PHE 60 1HE PHE 60 13.240 0.435 6.194 475 HE2 PHE 60 2HE PHE 60 11.911 -2.388 3.242 476 HZ PHE 60 HZ PHE 60 13.031 -1.905 5.400 477 H ARG 61 H ARG 61 8.336 2.443 0.637 478 HA ARG 61 HA ARG 61 8.727 5.092 -0.185 479 HB2 ARG 61 2HB ARG 61 6.405 3.267 -0.837 480 HB3 ARG 61 1HB ARG 61 6.878 4.698 -1.748 481 HG2 ARG 61 2HG ARG 61 8.878 2.489 -1.258 482 HG3 ARG 61 1HG ARG 61 7.699 2.339 -2.555 483 HD2 ARG 61 2HD ARG 61 9.712 4.580 -2.218 484 HD3 ARG 61 1HD ARG 61 9.751 3.313 -3.438 485 HE ARG 61 HE ARG 61 7.290 4.689 -3.624 486 HH11 ARG 61 1HH2 ARG 61 10.687 5.109 -4.125 487 HH12 ARG 61 2HH2 ARG 61 10.497 6.280 -5.387 488 HH21 ARG 61 1HH1 ARG 61 7.032 6.224 -5.280 489 HH22 ARG 61 2HH1 ARG 61 8.427 6.911 -6.040 490 H LEU 62 H LEU 62 5.896 3.654 1.470 491 HA LEU 62 HA LEU 62 4.423 6.048 1.663 492 HB2 LEU 62 2HB LEU 62 3.798 3.520 2.171 493 HB3 LEU 62 1HB LEU 62 4.248 3.957 3.814 494 HG LEU 62 HG LEU 62 2.156 5.331 2.096 495 HD11 LEU 62 1HD1 LEU 62 1.798 3.875 4.723 496 HD12 LEU 62 2HD1 LEU 62 1.647 3.059 3.166 497 HD13 LEU 62 3HD1 LEU 62 0.552 4.378 3.581 498 HD21 LEU 62 3HD2 LEU 62 3.356 5.996 4.789 499 HD22 LEU 62 1HD2 LEU 62 1.710 6.488 4.392 500 HD23 LEU 62 2HD2 LEU 62 3.060 7.065 3.419 501 H ASP 63 H ASP 63 6.568 4.461 4.034 502 HA ASP 63 HA ASP 63 6.391 6.377 6.061 503 HB2 ASP 63 2HB ASP 63 7.457 4.172 6.347 504 HB3 ASP 63 1HB ASP 63 8.786 4.685 5.309 505 H GLU 64 H GLU 64 8.273 7.802 6.750 506 HA GLU 64 HA GLU 64 8.654 9.849 4.858 507 HB2 GLU 64 2HB GLU 64 10.281 10.764 6.490 508 HB3 GLU 64 1HB GLU 64 8.770 10.276 7.258 509 HG2 GLU 64 2HG GLU 64 9.824 8.095 7.854 510 HG3 GLU 64 1HG GLU 64 11.345 8.679 7.183 511 H ALA 65 H ALA 65 10.013 6.841 4.882 512 HA ALA 65 HA ALA 65 12.703 7.512 4.095 513 HB1 ALA 65 1HB ALA 65 12.329 5.380 5.160 514 HB2 ALA 65 2HB ALA 65 12.818 5.078 3.493 515 HB3 ALA 65 3HB ALA 65 11.122 4.938 3.954 516 H LEU 66 H LEU 66 11.483 9.107 2.491 517 HA LEU 66 HA LEU 66 10.526 7.975 0.043 518 HB2 LEU 66 2HB LEU 66 11.631 10.763 0.338 519 HB3 LEU 66 1HB LEU 66 10.349 10.194 -0.733 520 HG LEU 66 HG LEU 66 10.212 10.390 2.290 521 HD11 LEU 66 1HD1 LEU 66 9.984 12.547 1.148 522 HD12 LEU 66 2HD1 LEU 66 8.421 12.040 1.786 523 HD13 LEU 66 3HD1 LEU 66 8.770 11.867 0.066 524 HD21 LEU 66 3HD2 LEU 66 8.329 9.230 0.224 525 HD22 LEU 66 1HD2 LEU 66 7.758 9.773 1.803 526 HD23 LEU 66 2HD2 LEU 66 8.938 8.467 1.692 527 H ARG 67 H ARG 67 11.616 8.653 -2.083 528 HA ARG 67 HA ARG 67 14.464 8.914 -2.129 529 HB2 ARG 67 2HB ARG 67 14.261 6.532 -1.448 530 HB3 ARG 67 1HB ARG 67 13.335 6.219 -2.916 531 HG2 ARG 67 2HG ARG 67 15.222 6.899 -4.303 532 HG3 ARG 67 1HG ARG 67 16.147 7.350 -2.871 533 HD2 ARG 67 2HD ARG 67 16.134 5.030 -2.097 534 HD3 ARG 67 1HD ARG 67 15.133 4.557 -3.466 535 HE ARG 67 HE ARG 67 17.462 5.795 -4.454 536 HH11 ARG 67 1HH2 ARG 67 16.432 2.971 -2.740 537 HH12 ARG 67 2HH2 ARG 67 17.718 1.974 -3.333 538 HH21 ARG 67 1HH1 ARG 67 19.151 4.494 -5.236 539 HH22 ARG 67 2HH1 ARG 67 19.258 2.837 -4.747 540 H LYS 68 H LYS 68 15.261 9.266 -4.223 541 HA LYS 68 HA LYS 68 13.423 10.350 -6.079 542 HB2 LYS 68 2HB LYS 68 16.296 9.510 -6.536 543 HB3 LYS 68 1HB LYS 68 15.359 10.606 -7.552 544 HG2 LYS 68 2HG LYS 68 15.026 12.031 -5.451 545 HG3 LYS 68 1HG LYS 68 16.285 11.046 -4.708 546 HD2 LYS 68 2HD LYS 68 16.554 12.716 -7.225 547 HD3 LYS 68 1HD LYS 68 17.307 13.040 -5.662 548 HE2 LYS 68 2HE LYS 68 17.914 10.825 -7.615 549 HE3 LYS 68 1HE LYS 68 19.023 11.988 -6.891 550 HZ1 LYS 68 3HZ LYS 68 17.954 9.516 -5.800 551 HZ2 LYS 68 1HZ LYS 68 18.082 10.812 -4.714 552 HZ3 LYS 68 2HZ LYS 68 19.459 10.259 -5.541 553 H GLY 69 H GLY 69 11.957 8.472 -6.231 554 HA2 GLY 69 2HA GLY 69 12.757 6.039 -7.467 555 HA3 GLY 69 1HA GLY 69 11.103 6.631 -7.322 556 H HIS 70 H HIS 70 10.484 8.396 -8.869 557 HA HIS 70 HA HIS 70 10.975 7.573 -11.535 558 HB2 HIS 70 2HB HIS 70 9.675 9.572 -12.163 559 HB3 HIS 70 1HB HIS 70 8.888 8.674 -10.865 560 HD2 HIS 70 2HD HIS 70 11.595 10.407 -9.039 561 HE1 HIS 70 1HE HIS 70 8.523 13.299 -9.209 562 HE2 HIS 70 2HE HIS 70 10.716 12.675 -8.090 563 H SER 71 H SER 71 13.381 7.647 -11.387 564 HA SER 71 HA SER 71 14.378 9.933 -12.770 565 HB2 SER 71 2HB SER 71 14.394 10.984 -10.596 566 HB3 SER 71 1HB SER 71 15.184 9.585 -9.874 567 HG SER 71 HG SER 71 17.037 10.132 -10.809 568 H GLU 72 H GLU 72 15.652 8.945 -14.194 569 HA GLU 72 HA GLU 72 16.748 6.376 -13.898 570 HB2 GLU 72 2HB GLU 72 16.382 7.553 -16.073 571 HB3 GLU 72 1HB GLU 72 17.764 8.585 -15.701 572 HG2 GLU 72 2HG GLU 72 19.241 6.650 -15.610 573 HG3 GLU 72 1HG GLU 72 17.875 5.559 -15.841 574 H GLY 73 H GLY 73 17.863 6.215 -11.943 575 HA2 GLY 73 2HA GLY 73 20.628 6.718 -12.005 576 HA3 GLY 73 1HA GLY 73 19.865 7.974 -11.035 577 H GLY 74 H GLY 74 18.169 7.018 -9.428 578 HA2 GLY 74 2HA GLY 74 18.430 4.401 -8.426 579 HA3 GLY 74 1HA GLY 74 19.542 5.446 -7.544 580 H1 HOH 201 H2 HOH 77 6.514 8.868 -8.926 581 H2 HOH 201 H1 HOH 77 7.060 10.093 -8.223 Start of MODEL 10 1 H1 VAL 1 1H VAL 1 -0.319 11.928 -15.237 2 H2 VAL 1 2H VAL 1 0.447 10.628 -14.469 3 HA VAL 1 HA VAL 1 -1.910 10.554 -14.067 4 HB VAL 1 HB VAL 1 -1.814 10.705 -11.508 5 HG11 VAL 1 2HG1 VAL 1 -0.254 8.792 -11.364 6 HG12 VAL 1 3HG1 VAL 1 0.337 9.159 -12.985 7 HG13 VAL 1 1HG1 VAL 1 -1.334 8.643 -12.751 8 HG21 VAL 1 1HG2 VAL 1 1.048 11.456 -12.172 9 HG22 VAL 1 2HG2 VAL 1 0.487 10.969 -10.579 10 HG23 VAL 1 3HG2 VAL 1 -0.107 12.459 -11.304 11 H ASP 2 H ASP 2 -1.906 12.480 -11.375 12 HA ASP 2 HA ASP 2 -3.010 14.403 -10.801 13 HB2 ASP 2 2HB ASP 2 -2.486 15.437 -13.580 14 HB3 ASP 2 1HB ASP 2 -2.504 16.320 -12.053 15 H MET 3 H MET 3 -3.767 14.330 -14.283 16 HA MET 3 HA MET 3 -6.444 15.046 -14.035 17 HB2 MET 3 2HB MET 3 -5.117 14.987 -16.164 18 HB3 MET 3 1HB MET 3 -5.302 13.232 -16.171 19 HG2 MET 3 2HG MET 3 -7.727 13.442 -16.256 20 HG3 MET 3 1HG MET 3 -7.612 15.194 -16.103 21 HE1 MET 3 3HE MET 3 -9.289 13.949 -18.076 22 HE2 MET 3 1HE MET 3 -8.874 14.448 -19.721 23 HE3 MET 3 2HE MET 3 -9.024 15.652 -18.444 24 H SER 4 H SER 4 -4.959 11.828 -14.033 25 HA SER 4 HA SER 4 -7.285 10.276 -14.085 26 HB2 SER 4 2HB SER 4 -4.684 9.705 -12.649 27 HB3 SER 4 1HB SER 4 -5.922 8.515 -13.040 28 HG SER 4 HG SER 4 -4.508 10.142 -14.893 29 H ASN 5 H ASN 5 -5.433 11.422 -11.256 30 HA ASN 5 HA ASN 5 -6.022 11.639 -9.043 31 HB2 ASN 5 2HB ASN 5 -7.467 13.380 -10.071 32 HB3 ASN 5 1HB ASN 5 -8.753 12.186 -10.224 33 HD21 ASN 5 1HD2 ASN 5 -10.021 13.635 -8.723 34 HD22 ASN 5 2HD2 ASN 5 -9.731 13.538 -7.055 35 H VAL 6 H VAL 6 -5.739 9.098 -9.420 36 HA VAL 6 HA VAL 6 -8.102 7.820 -8.162 37 HB VAL 6 HB VAL 6 -7.964 7.155 -10.539 38 HG11 VAL 6 1HG1 VAL 6 -5.449 7.477 -10.654 39 HG12 VAL 6 2HG1 VAL 6 -6.043 5.994 -11.402 40 HG13 VAL 6 3HG1 VAL 6 -5.290 5.937 -9.807 41 HG21 VAL 6 3HG2 VAL 6 -7.061 4.898 -8.731 42 HG22 VAL 6 1HG2 VAL 6 -8.101 4.783 -10.151 43 HG23 VAL 6 2HG2 VAL 6 -8.690 5.573 -8.688 44 H VAL 7 H VAL 7 -7.614 6.034 -6.791 45 HA VAL 7 HA VAL 7 -4.824 5.506 -6.111 46 HB VAL 7 HB VAL 7 -6.769 6.714 -4.128 47 HG11 VAL 7 1HG1 VAL 7 -4.732 6.524 -2.600 48 HG12 VAL 7 2HG1 VAL 7 -4.049 5.430 -3.802 49 HG13 VAL 7 3HG1 VAL 7 -5.549 5.007 -2.978 50 HG21 VAL 7 3HG2 VAL 7 -4.822 8.371 -3.926 51 HG22 VAL 7 1HG2 VAL 7 -5.765 8.459 -5.413 52 HG23 VAL 7 2HG2 VAL 7 -4.195 7.656 -5.411 53 H LYS 8 H LYS 8 -4.566 3.642 -4.783 54 HA LYS 8 HA LYS 8 -6.850 1.782 -4.950 55 HB2 LYS 8 2HB LYS 8 -4.558 1.220 -5.919 56 HB3 LYS 8 1HB LYS 8 -3.993 1.113 -4.252 57 HG2 LYS 8 2HG LYS 8 -4.598 -1.109 -4.832 58 HG3 LYS 8 1HG LYS 8 -5.917 -0.504 -3.828 59 HD2 LYS 8 2HD LYS 8 -6.493 0.159 -6.604 60 HD3 LYS 8 1HD LYS 8 -6.088 -1.551 -6.506 61 HE2 LYS 8 2HE LYS 8 -7.752 -1.739 -4.607 62 HE3 LYS 8 1HE LYS 8 -8.250 -0.086 -4.967 63 HZ1 LYS 8 3HZ LYS 8 -8.713 -2.533 -6.461 64 HZ2 LYS 8 1HZ LYS 8 -8.335 -1.166 -7.391 65 HZ3 LYS 8 2HZ LYS 8 -9.669 -1.133 -6.338 66 H THR 9 H THR 9 -7.646 0.702 -3.173 67 HA THR 9 HA THR 9 -6.426 1.056 -0.554 68 HB THR 9 HB THR 9 -9.192 2.142 -1.131 69 HG1 THR 9 1HG THR 9 -8.115 3.883 -1.520 70 HG21 THR 9 3HG2 THR 9 -8.972 2.913 1.271 71 HG22 THR 9 1HG2 THR 9 -7.564 1.860 1.402 72 HG23 THR 9 2HG2 THR 9 -9.151 1.170 1.064 73 H TYR 10 H TYR 10 -6.411 -0.993 0.115 74 HA TYR 10 HA TYR 10 -8.780 -2.708 -0.366 75 HB2 TYR 10 2HB TYR 10 -5.914 -3.385 0.299 76 HB3 TYR 10 1HB TYR 10 -7.207 -4.569 0.223 77 HD1 TYR 10 2HD TYR 10 -8.705 -4.347 -2.019 78 HD2 TYR 10 1HD TYR 10 -4.602 -3.134 -1.611 79 HE1 TYR 10 2HE TYR 10 -8.410 -4.526 -4.473 80 HE2 TYR 10 1HE TYR 10 -4.309 -3.315 -4.068 81 HH TYR 10 HH TYR 10 -5.319 -4.435 -5.962 82 H ASP 11 H ASP 11 -10.108 -2.970 1.330 83 HA ASP 11 HA ASP 11 -9.276 -2.167 3.988 84 HB2 ASP 11 2HB ASP 11 -11.863 -3.233 2.855 85 HB3 ASP 11 1HB ASP 11 -11.630 -2.882 4.568 86 H LEU 12 H LEU 12 -7.721 -3.653 4.608 87 HA LEU 12 HA LEU 12 -7.985 -6.468 4.445 88 HB2 LEU 12 2HB LEU 12 -6.142 -4.523 5.611 89 HB3 LEU 12 1HB LEU 12 -6.323 -5.922 6.657 90 HG LEU 12 HG LEU 12 -5.656 -7.422 4.873 91 HD11 LEU 12 1HD1 LEU 12 -6.431 -6.673 2.824 92 HD12 LEU 12 2HD1 LEU 12 -4.757 -6.149 2.700 93 HD13 LEU 12 3HD1 LEU 12 -6.011 -4.991 3.157 94 HD21 LEU 12 3HD2 LEU 12 -3.739 -6.652 5.981 95 HD22 LEU 12 1HD2 LEU 12 -3.910 -5.009 5.360 96 HD23 LEU 12 2HD2 LEU 12 -3.350 -6.296 4.299 97 H GLN 13 H GLN 13 -8.425 -7.990 6.108 98 HA GLN 13 HA GLN 13 -10.688 -7.257 7.728 99 HB2 GLN 13 2HB GLN 13 -9.104 -9.810 7.403 100 HB3 GLN 13 1HB GLN 13 -10.465 -9.664 8.520 101 HG2 GLN 13 2HG GLN 13 -11.975 -9.119 6.719 102 HG3 GLN 13 1HG GLN 13 -10.642 -9.004 5.569 103 HE21 GLN 13 1HE2 GLN 13 -9.181 -11.349 6.335 104 HE22 GLN 13 2HE2 GLN 13 -10.131 -12.712 5.961 105 H ASP 14 H ASP 14 -7.319 -7.187 8.163 106 HA ASP 14 HA ASP 14 -7.337 -7.624 11.031 107 HB2 ASP 14 2HB ASP 14 -5.167 -6.493 9.246 108 HB3 ASP 14 1HB ASP 14 -4.969 -7.041 10.912 109 H GLY 15 H GLY 15 -8.755 -5.315 9.425 110 HA2 GLY 15 2HA GLY 15 -9.551 -3.263 10.192 111 HA3 GLY 15 1HA GLY 15 -8.388 -3.333 11.516 112 H SER 16 H SER 16 -6.366 -4.036 9.260 113 HA SER 16 HA SER 16 -5.521 -1.275 8.814 114 HB2 SER 16 2HB SER 16 -3.798 -2.795 9.516 115 HB3 SER 16 1HB SER 16 -4.235 -3.959 8.268 116 HG SER 16 HG SER 16 -3.454 -2.594 6.729 117 H LYS 17 H LYS 17 -4.221 -1.365 6.441 118 HA LYS 17 HA LYS 17 -5.836 -2.479 4.344 119 HB2 LYS 17 2HB LYS 17 -6.529 -0.299 3.370 120 HB3 LYS 17 1HB LYS 17 -7.292 -0.622 4.927 121 HG2 LYS 17 2HG LYS 17 -5.622 0.785 6.055 122 HG3 LYS 17 1HG LYS 17 -4.823 1.088 4.515 123 HD2 LYS 17 2HD LYS 17 -6.261 2.981 5.018 124 HD3 LYS 17 1HD LYS 17 -6.947 2.096 3.658 125 HE2 LYS 17 2HE LYS 17 -8.704 1.228 4.939 126 HE3 LYS 17 1HE LYS 17 -7.830 1.424 6.458 127 HZ1 LYS 17 3HZ LYS 17 -8.710 3.710 4.792 128 HZ2 LYS 17 1HZ LYS 17 -8.140 3.747 6.389 129 HZ3 LYS 17 2HZ LYS 17 -9.655 3.060 6.044 130 H VAL 18 H VAL 18 -4.845 -2.364 2.334 131 HA VAL 18 HA VAL 18 -2.037 -1.462 2.388 132 HB VAL 18 HB VAL 18 -2.974 -2.969 0.004 133 HG11 VAL 18 1HG1 VAL 18 -0.599 -2.484 0.521 134 HG12 VAL 18 2HG1 VAL 18 -0.915 -4.212 0.392 135 HG13 VAL 18 3HG1 VAL 18 -0.735 -3.466 1.979 136 HG21 VAL 18 3HG2 VAL 18 -3.187 -5.120 1.091 137 HG22 VAL 18 1HG2 VAL 18 -4.355 -4.028 1.822 138 HG23 VAL 18 2HG2 VAL 18 -2.859 -4.403 2.671 139 H HIS 19 H HIS 19 -1.172 -0.305 0.557 140 HA HIS 19 HA HIS 19 -3.103 1.008 -1.227 141 HB2 HIS 19 2HB HIS 19 -2.758 3.156 -0.479 142 HB3 HIS 19 1HB HIS 19 -2.417 2.333 1.036 143 HD1 HIS 19 1HD HIS 19 -0.973 4.664 -1.323 144 HD2 HIS 19 2HD HIS 19 0.564 1.828 1.321 145 HE1 HIS 19 1HE HIS 19 1.471 5.238 -0.996 146 HE2 HIS 19 2HE HIS 19 2.420 3.517 0.612 147 H VAL 20 H VAL 20 -2.346 0.699 -3.237 148 HA VAL 20 HA VAL 20 0.467 0.086 -3.601 149 HB VAL 20 HB VAL 20 -0.050 -0.840 -5.662 150 HG11 VAL 20 1HG1 VAL 20 -2.461 -1.829 -5.470 151 HG12 VAL 20 2HG1 VAL 20 -2.484 -1.056 -3.892 152 HG13 VAL 20 3HG1 VAL 20 -1.265 -2.264 -4.262 153 HG21 VAL 20 3HG2 VAL 20 -2.272 -0.166 -6.853 154 HG22 VAL 20 1HG2 VAL 20 -0.905 0.946 -6.906 155 HG23 VAL 20 2HG2 VAL 20 -2.228 1.234 -5.779 156 H PHE 21 H PHE 21 1.793 1.059 -5.209 157 HA PHE 21 HA PHE 21 1.404 3.975 -5.346 158 HB2 PHE 21 2HB PHE 21 3.828 2.238 -5.876 159 HB3 PHE 21 1HB PHE 21 3.806 3.997 -5.963 160 HD1 PHE 21 2HD PHE 21 3.419 5.357 -3.920 161 HD2 PHE 21 1HD PHE 21 3.807 1.082 -3.761 162 HE1 PHE 21 2HE PHE 21 3.783 5.481 -1.469 163 HE2 PHE 21 1HE PHE 21 4.170 1.206 -1.310 164 HZ PHE 21 HZ PHE 21 4.158 3.405 -0.165 165 H LYS 22 H LYS 22 3.068 4.480 -7.536 166 HA LYS 22 HA LYS 22 1.229 4.014 -9.704 167 HB2 LYS 22 2HB LYS 22 2.814 5.363 -11.022 168 HB3 LYS 22 1HB LYS 22 2.409 6.152 -9.496 169 HG2 LYS 22 2HG LYS 22 4.485 5.175 -8.498 170 HG3 LYS 22 1HG LYS 22 4.909 4.547 -10.090 171 HD2 LYS 22 2HD LYS 22 4.814 6.879 -10.987 172 HD3 LYS 22 1HD LYS 22 4.536 7.461 -9.345 173 HE2 LYS 22 2HE LYS 22 6.918 5.745 -10.063 174 HE3 LYS 22 1HE LYS 22 6.963 7.505 -10.159 175 HZ1 LYS 22 3HZ LYS 22 6.951 5.783 -7.841 176 HZ2 LYS 22 1HZ LYS 22 5.899 7.107 -7.731 177 HZ3 LYS 22 2HZ LYS 22 7.553 7.362 -8.021 178 H ASP 23 H ASP 23 4.117 2.533 -8.515 179 HA ASP 23 HA ASP 23 4.794 1.210 -11.003 180 HB2 ASP 23 2HB ASP 23 6.530 1.815 -9.352 181 HB3 ASP 23 1HB ASP 23 5.795 0.708 -8.191 182 H GLY 24 H GLY 24 2.222 0.819 -9.126 183 HA2 GLY 24 2HA GLY 24 0.664 -0.899 -9.065 184 HA3 GLY 24 1HA GLY 24 1.802 -1.913 -9.948 185 H LYS 25 H LYS 25 3.765 -0.942 -7.686 186 HA LYS 25 HA LYS 25 3.668 -3.327 -6.136 187 HB2 LYS 25 2HB LYS 25 5.106 -0.683 -5.844 188 HB3 LYS 25 1HB LYS 25 5.317 -1.983 -4.683 189 HG2 LYS 25 2HG LYS 25 5.636 -2.600 -7.610 190 HG3 LYS 25 1HG LYS 25 6.943 -1.769 -6.772 191 HD2 LYS 25 2HD LYS 25 7.247 -3.567 -5.240 192 HD3 LYS 25 1HD LYS 25 5.720 -4.319 -5.698 193 HE2 LYS 25 2HE LYS 25 7.573 -5.526 -6.741 194 HE3 LYS 25 1HE LYS 25 6.626 -4.707 -7.982 195 HZ1 LYS 25 3HZ LYS 25 8.325 -3.384 -8.505 196 HZ2 LYS 25 1HZ LYS 25 9.300 -4.494 -7.671 197 HZ3 LYS 25 2HZ LYS 25 8.740 -3.096 -6.883 198 H MET 26 H MET 26 2.947 -3.669 -4.044 199 HA MET 26 HA MET 26 0.743 -2.040 -3.161 200 HB2 MET 26 2HB MET 26 1.907 -4.672 -2.366 201 HB3 MET 26 1HB MET 26 0.916 -3.823 -1.182 202 HG2 MET 26 2HG MET 26 -0.973 -3.818 -2.595 203 HG3 MET 26 1HG MET 26 -0.016 -4.224 -4.022 204 HE1 MET 26 3HE MET 26 0.074 -6.710 -4.920 205 HE2 MET 26 1HE MET 26 -1.485 -5.886 -4.768 206 HE3 MET 26 2HE MET 26 -1.336 -7.586 -4.326 207 H GLY 27 H GLY 27 0.634 -1.830 -0.620 208 HA2 GLY 27 2HA GLY 27 3.134 -0.977 0.605 209 HA3 GLY 27 1HA GLY 27 2.002 0.324 0.245 210 H MET 28 H MET 28 2.925 -1.945 2.526 211 HA MET 28 HA MET 28 0.354 -2.388 3.754 212 HB2 MET 28 2HB MET 28 2.380 -3.946 3.841 213 HB3 MET 28 1HB MET 28 3.057 -2.827 5.016 214 HG2 MET 28 2HG MET 28 1.916 -4.584 6.219 215 HG3 MET 28 1HG MET 28 0.996 -3.098 6.393 216 HE1 MET 28 3HE MET 28 -1.896 -5.342 6.513 217 HE2 MET 28 1HE MET 28 -1.780 -3.584 6.378 218 HE3 MET 28 2HE MET 28 -0.613 -4.478 7.351 219 H GLU 29 H GLU 29 -0.599 -1.245 5.325 220 HA GLU 29 HA GLU 29 0.897 0.586 7.012 221 HB2 GLU 29 2HB GLU 29 -0.602 2.519 6.405 222 HB3 GLU 29 1HB GLU 29 0.553 2.066 5.153 223 HG2 GLU 29 2HG GLU 29 -1.257 0.670 4.093 224 HG3 GLU 29 1HG GLU 29 -2.387 1.343 5.265 225 H ASN 30 H ASN 30 0.025 0.562 8.988 226 HA ASN 30 HA ASN 30 -2.361 -0.940 9.480 227 HB2 ASN 30 2HB ASN 30 -1.818 -0.781 11.742 228 HB3 ASN 30 1HB ASN 30 -0.241 -0.647 10.971 229 HD21 ASN 30 1HD2 ASN 30 -0.999 2.210 10.073 230 HD22 ASN 30 2HD2 ASN 30 -0.781 3.142 11.480 231 H LYS 31 H LYS 31 -3.548 0.485 11.577 232 HA LYS 31 HA LYS 31 -5.237 2.283 10.063 233 HB2 LYS 31 2HB LYS 31 -6.150 0.667 11.709 234 HB3 LYS 31 1HB LYS 31 -5.322 1.539 12.997 235 HG2 LYS 31 2HG LYS 31 -7.045 3.220 11.219 236 HG3 LYS 31 1HG LYS 31 -7.906 2.061 12.229 237 HD2 LYS 31 2HD LYS 31 -6.689 2.968 14.225 238 HD3 LYS 31 1HD LYS 31 -5.981 4.204 13.186 239 HE2 LYS 31 2HE LYS 31 -8.257 4.972 12.574 240 HE3 LYS 31 1HE LYS 31 -8.942 3.767 13.665 241 HZ1 LYS 31 3HZ LYS 31 -7.027 5.150 15.109 242 HZ2 LYS 31 1HZ LYS 31 -8.712 5.226 15.295 243 HZ3 LYS 31 2HZ LYS 31 -7.919 6.328 14.271 244 H PHE 32 H PHE 32 -2.719 2.538 12.494 245 HA PHE 32 HA PHE 32 -3.235 5.331 13.045 246 HB2 PHE 32 2HB PHE 32 -0.963 3.481 13.788 247 HB3 PHE 32 1HB PHE 32 -1.056 5.171 14.293 248 HD1 PHE 32 2HD PHE 32 -2.746 1.868 14.495 249 HD2 PHE 32 1HD PHE 32 -2.544 5.875 16.031 250 HE1 PHE 32 2HE PHE 32 -4.252 1.229 16.357 251 HE2 PHE 32 1HE PHE 32 -4.051 5.236 17.895 252 HZ PHE 32 HZ PHE 32 -4.905 2.913 18.058 253 H GLY 33 H GLY 33 -2.411 4.140 10.278 254 HA2 GLY 33 2HA GLY 33 -1.346 4.999 8.424 255 HA3 GLY 33 1HA GLY 33 -1.015 6.450 9.370 256 H LYS 34 H LYS 34 0.114 3.872 11.111 257 HA LYS 34 HA LYS 34 2.872 4.500 10.481 258 HB2 LYS 34 2HB LYS 34 1.826 2.378 12.365 259 HB3 LYS 34 1HB LYS 34 3.430 3.110 12.360 260 HG2 LYS 34 2HG LYS 34 0.853 4.633 12.855 261 HG3 LYS 34 1HG LYS 34 1.929 4.055 14.125 262 HD2 LYS 34 2HD LYS 34 3.784 5.366 12.863 263 HD3 LYS 34 1HD LYS 34 2.451 6.177 12.041 264 HE2 LYS 34 2HE LYS 34 1.524 6.893 14.194 265 HE3 LYS 34 1HE LYS 34 2.807 6.037 15.050 266 HZ1 LYS 34 3HZ LYS 34 3.982 7.894 14.885 267 HZ2 LYS 34 1HZ LYS 34 2.863 8.606 13.832 268 HZ3 LYS 34 2HZ LYS 34 4.095 7.615 13.214 269 H SER 35 H SER 35 4.031 3.498 8.985 270 HA SER 35 HA SER 35 3.072 1.358 7.424 271 HB2 SER 35 2HB SER 35 5.170 1.413 6.331 272 HB3 SER 35 1HB SER 35 4.882 3.073 6.843 273 HG SER 35 HG SER 35 6.058 1.739 8.831 274 H MET 36 H MET 36 3.118 -0.786 7.689 275 HA MET 36 HA MET 36 4.759 -1.917 9.896 276 HB2 MET 36 2HB MET 36 1.996 -2.620 8.897 277 HB3 MET 36 1HB MET 36 2.963 -3.770 9.823 278 HG2 MET 36 2HG MET 36 3.202 -2.014 11.615 279 HG3 MET 36 1HG MET 36 2.063 -1.014 10.711 280 HE1 MET 36 3HE MET 36 0.932 -0.958 13.028 281 HE2 MET 36 1HE MET 36 1.804 -2.274 13.826 282 HE3 MET 36 2HE MET 36 0.043 -2.282 13.775 283 H ASN 37 H ASN 37 6.455 -2.940 9.077 284 HA ASN 37 HA ASN 37 6.720 -3.788 6.406 285 HB2 ASN 37 2HB ASN 37 8.609 -3.338 7.988 286 HB3 ASN 37 1HB ASN 37 8.232 -4.860 8.793 287 HD21 ASN 37 1HD2 ASN 37 7.783 -6.654 6.795 288 HD22 ASN 37 2HD2 ASN 37 9.110 -6.752 5.735 289 H MET 38 H MET 38 5.463 -5.278 5.491 290 HA MET 38 HA MET 38 4.794 -7.731 7.002 291 HB2 MET 38 2HB MET 38 2.798 -6.682 6.309 292 HB3 MET 38 1HB MET 38 3.437 -6.328 4.703 293 HG2 MET 38 2HG MET 38 3.334 -8.632 4.068 294 HG3 MET 38 1HG MET 38 3.113 -9.149 5.728 295 HE1 MET 38 3HE MET 38 1.156 -9.431 6.904 296 HE2 MET 38 1HE MET 38 -0.467 -8.820 6.543 297 HE3 MET 38 2HE MET 38 0.789 -7.719 7.110 298 HA PRO 39 HA PRO 39 7.953 -9.765 4.463 299 HB2 PRO 39 2HB PRO 39 6.012 -12.048 4.750 300 HB3 PRO 39 1HB PRO 39 7.781 -12.046 4.930 301 HG2 PRO 39 2HG PRO 39 6.188 -12.057 7.061 302 HG3 PRO 39 1HG PRO 39 7.697 -11.124 7.046 303 HD2 PRO 39 2HD PRO 39 4.883 -10.140 6.886 304 HD3 PRO 39 1HD PRO 39 6.326 -9.330 7.519 305 H GLU 40 H GLU 40 8.178 -10.208 2.276 306 HA GLU 40 HA GLU 40 6.017 -9.452 0.551 307 HB2 GLU 40 2HB GLU 40 8.450 -8.984 0.099 308 HB3 GLU 40 1HB GLU 40 8.665 -10.712 -0.200 309 HG2 GLU 40 2HG GLU 40 6.932 -10.605 -1.963 310 HG3 GLU 40 1HG GLU 40 6.782 -8.867 -1.698 311 H GLY 41 H GLY 41 4.491 -11.128 1.281 312 HA2 GLY 41 2HA GLY 41 4.027 -13.120 -0.535 313 HA3 GLY 41 1HA GLY 41 5.033 -13.890 0.689 314 H LYS 42 H LYS 42 3.728 -11.902 2.688 315 HA LYS 42 HA LYS 42 1.874 -13.689 3.773 316 HB2 LYS 42 2HB LYS 42 2.940 -11.160 4.494 317 HB3 LYS 42 1HB LYS 42 1.201 -10.933 4.484 318 HG2 LYS 42 2HG LYS 42 1.618 -11.659 6.677 319 HG3 LYS 42 1HG LYS 42 1.130 -13.148 5.875 320 HD2 LYS 42 2HD LYS 42 3.677 -13.450 5.410 321 HD3 LYS 42 1HD LYS 42 3.885 -12.233 6.668 322 HE2 LYS 42 2HE LYS 42 3.987 -14.520 7.609 323 HE3 LYS 42 1HE LYS 42 2.611 -13.623 8.248 324 HZ1 LYS 42 3HZ LYS 42 2.205 -15.198 5.819 325 HZ2 LYS 42 1HZ LYS 42 1.132 -14.877 7.093 326 HZ3 LYS 42 2HZ LYS 42 2.355 -16.040 7.286 327 H VAL 43 H VAL 43 -0.185 -14.146 3.336 328 HA VAL 43 HA VAL 43 -1.476 -12.830 1.085 329 HB VAL 43 HB VAL 43 -2.523 -15.068 2.829 330 HG11 VAL 43 1HG1 VAL 43 -3.855 -15.558 0.771 331 HG12 VAL 43 2HG1 VAL 43 -3.208 -14.090 0.040 332 HG13 VAL 43 3HG1 VAL 43 -4.236 -13.986 1.469 333 HG21 VAL 43 3HG2 VAL 43 -0.452 -15.855 1.935 334 HG22 VAL 43 1HG2 VAL 43 -0.743 -15.072 0.382 335 HG23 VAL 43 2HG2 VAL 43 -1.696 -16.479 0.850 336 H MET 44 H MET 44 -2.671 -11.049 1.367 337 HA MET 44 HA MET 44 -3.984 -10.590 3.983 338 HB2 MET 44 2HB MET 44 -3.712 -8.611 1.726 339 HB3 MET 44 1HB MET 44 -4.082 -8.287 3.402 340 HG2 MET 44 2HG MET 44 -1.845 -8.813 4.080 341 HG3 MET 44 1HG MET 44 -1.452 -9.474 2.494 342 HE1 MET 44 3HE MET 44 -2.551 -7.225 0.309 343 HE2 MET 44 1HE MET 44 -1.221 -8.378 0.467 344 HE3 MET 44 2HE MET 44 -0.887 -6.675 0.177 345 H GLU 45 H GLU 45 -6.201 -10.451 4.111 346 HA GLU 45 HA GLU 45 -7.731 -10.920 1.600 347 HB2 GLU 45 2HB GLU 45 -7.645 -12.896 3.119 348 HB3 GLU 45 1HB GLU 45 -8.405 -11.917 4.378 349 HG2 GLU 45 2HG GLU 45 -10.381 -11.589 3.028 350 HG3 GLU 45 1HG GLU 45 -9.612 -12.356 1.634 351 H THR 46 H THR 46 -9.077 -9.331 1.094 352 HA THR 46 HA THR 46 -9.660 -7.227 2.987 353 HB THR 46 HB THR 46 -10.701 -6.100 1.160 354 HG1 THR 46 1HG THR 46 -11.889 -7.951 0.443 355 HG21 THR 46 3HG2 THR 46 -8.919 -6.057 -0.427 356 HG22 THR 46 1HG2 THR 46 -8.484 -7.732 -0.084 357 HG23 THR 46 2HG2 THR 46 -8.183 -6.480 1.120 358 H ARG 47 H ARG 47 -11.891 -6.466 3.364 359 HA ARG 47 HA ARG 47 -13.490 -8.382 4.589 360 HB2 ARG 47 2HB ARG 47 -14.378 -5.732 3.420 361 HB3 ARG 47 1HB ARG 47 -15.236 -6.666 4.649 362 HG2 ARG 47 2HG ARG 47 -13.349 -6.428 6.190 363 HG3 ARG 47 1HG ARG 47 -12.430 -5.560 4.959 364 HD2 ARG 47 2HD ARG 47 -14.200 -3.811 4.915 365 HD3 ARG 47 1HD ARG 47 -15.042 -4.659 6.209 366 HE ARG 47 HE ARG 47 -12.739 -2.969 6.494 367 HH11 ARG 47 1HH2 ARG 47 -14.380 -5.761 7.710 368 HH12 ARG 47 2HH2 ARG 47 -13.732 -5.617 9.310 369 HH21 ARG 47 1HH1 ARG 47 -11.885 -2.773 8.590 370 HH22 ARG 47 2HH1 ARG 47 -12.320 -3.925 9.808 371 H ASP 48 H ASP 48 -13.596 -7.115 1.294 372 HA ASP 48 HA ASP 48 -16.017 -8.430 0.548 373 HB2 ASP 48 2HB ASP 48 -15.146 -6.489 -0.687 374 HB3 ASP 48 1HB ASP 48 -13.738 -7.434 -1.180 375 H GLY 49 H GLY 49 -13.038 -9.640 1.354 376 HA2 GLY 49 2HA GLY 49 -12.324 -11.853 1.338 377 HA3 GLY 49 1HA GLY 49 -13.675 -12.254 0.279 378 H THR 50 H THR 50 -11.419 -9.649 -0.403 379 HA THR 50 HA THR 50 -10.670 -10.967 -2.909 380 HB THR 50 HB THR 50 -9.830 -8.236 -1.925 381 HG1 THR 50 1HG THR 50 -11.666 -7.803 -3.559 382 HG21 THR 50 3HG2 THR 50 -8.550 -9.112 -3.810 383 HG22 THR 50 1HG2 THR 50 -9.615 -7.820 -4.364 384 HG23 THR 50 2HG2 THR 50 -10.040 -9.505 -4.668 385 H LYS 51 H LYS 51 -8.959 -12.263 -2.946 386 HA LYS 51 HA LYS 51 -6.971 -12.235 -0.864 387 HB2 LYS 51 2HB LYS 51 -7.746 -14.308 -2.056 388 HB3 LYS 51 1HB LYS 51 -6.899 -13.728 -3.492 389 HG2 LYS 51 2HG LYS 51 -4.776 -13.700 -2.270 390 HG3 LYS 51 1HG LYS 51 -5.601 -14.179 -0.788 391 HD2 LYS 51 2HD LYS 51 -4.782 -16.233 -1.559 392 HD3 LYS 51 1HD LYS 51 -6.419 -16.236 -2.209 393 HE2 LYS 51 2HE LYS 51 -4.758 -16.913 -3.917 394 HE3 LYS 51 1HE LYS 51 -5.573 -15.419 -4.375 395 HZ1 LYS 51 3HZ LYS 51 -3.163 -15.107 -2.791 396 HZ2 LYS 51 1HZ LYS 51 -3.706 -14.219 -4.130 397 HZ3 LYS 51 2HZ LYS 51 -2.931 -15.712 -4.362 398 H ILE 52 H ILE 52 -5.361 -10.849 -0.775 399 HA ILE 52 HA ILE 52 -3.953 -10.073 -3.256 400 HB ILE 52 HB ILE 52 -3.709 -7.757 -2.021 401 HG12 ILE 52 2HG1 ILE 52 -6.433 -8.581 -0.992 402 HG13 ILE 52 1HG1 ILE 52 -4.995 -8.755 -0.011 403 HG21 ILE 52 1HG2 ILE 52 -4.871 -8.135 -4.187 404 HG22 ILE 52 2HG2 ILE 52 -5.666 -6.914 -3.191 405 HG23 ILE 52 3HG2 ILE 52 -6.338 -8.542 -3.293 406 HD11 ILE 52 3HD1 ILE 52 -5.926 -6.624 0.545 407 HD12 ILE 52 1HD1 ILE 52 -6.157 -6.219 -1.151 408 HD13 ILE 52 2HD1 ILE 52 -4.532 -6.286 -0.474 409 H ILE 53 H ILE 53 -1.925 -10.679 -3.057 410 HA ILE 53 HA ILE 53 -0.754 -11.215 -0.442 411 HB ILE 53 HB ILE 53 0.465 -11.510 -3.197 412 HG12 ILE 53 2HG1 ILE 53 -0.864 -13.607 -1.450 413 HG13 ILE 53 1HG1 ILE 53 -1.647 -12.835 -2.831 414 HG21 ILE 53 1HG2 ILE 53 2.115 -11.449 -1.390 415 HG22 ILE 53 2HG2 ILE 53 1.964 -13.097 -1.998 416 HG23 ILE 53 3HG2 ILE 53 1.193 -12.644 -0.477 417 HD11 ILE 53 3HD1 ILE 53 0.899 -14.481 -2.904 418 HD12 ILE 53 1HD1 ILE 53 0.208 -13.638 -4.290 419 HD13 ILE 53 2HD1 ILE 53 -0.676 -14.965 -3.534 420 H MET 54 H MET 54 1.022 -10.186 0.431 421 HA MET 54 HA MET 54 1.308 -7.421 -0.135 422 HB2 MET 54 2HB MET 54 1.744 -8.551 2.093 423 HB3 MET 54 1HB MET 54 3.266 -9.131 1.411 424 HG2 MET 54 2HG MET 54 3.815 -7.087 2.525 425 HG3 MET 54 1HG MET 54 3.765 -6.699 0.816 426 HE1 MET 54 3HE MET 54 3.603 -4.107 1.635 427 HE2 MET 54 1HE MET 54 2.016 -3.519 1.125 428 HE3 MET 54 2HE MET 54 2.905 -4.648 0.110 429 H LYS 55 H LYS 55 1.787 -7.397 -2.396 430 HA LYS 55 HA LYS 55 4.162 -8.601 -3.457 431 HB2 LYS 55 2HB LYS 55 2.090 -7.896 -4.771 432 HB3 LYS 55 1HB LYS 55 2.671 -6.239 -4.613 433 HG2 LYS 55 2HG LYS 55 4.866 -7.028 -5.600 434 HG3 LYS 55 1HG LYS 55 4.070 -8.556 -5.969 435 HD2 LYS 55 2HD LYS 55 3.084 -5.845 -6.906 436 HD3 LYS 55 1HD LYS 55 4.046 -6.948 -7.890 437 HE2 LYS 55 2HE LYS 55 2.205 -8.699 -7.368 438 HE3 LYS 55 1HE LYS 55 1.233 -7.316 -6.869 439 HZ1 LYS 55 3HZ LYS 55 2.441 -7.801 -9.531 440 HZ2 LYS 55 1HZ LYS 55 1.756 -6.319 -9.075 441 HZ3 LYS 55 2HZ LYS 55 0.789 -7.714 -9.144 442 H GLY 56 H GLY 56 3.323 -5.171 -3.240 443 HA2 GLY 56 2HA GLY 56 6.009 -4.265 -3.376 444 HA3 GLY 56 1HA GLY 56 4.603 -3.296 -2.971 445 H ASN 57 H ASN 57 6.608 -5.863 -1.472 446 HA ASN 57 HA ASN 57 5.932 -5.174 1.184 447 HB2 ASN 57 2HB ASN 57 6.947 -7.313 0.730 448 HB3 ASN 57 1HB ASN 57 8.387 -6.544 0.062 449 HD21 ASN 57 1HD2 ASN 57 6.623 -5.558 3.025 450 HD22 ASN 57 2HD2 ASN 57 7.925 -5.853 4.081 451 H GLU 58 H GLU 58 7.578 -3.421 -1.106 452 HA GLU 58 HA GLU 58 9.531 -2.161 0.618 453 HB2 GLU 58 2HB GLU 58 8.523 -1.294 -2.102 454 HB3 GLU 58 1HB GLU 58 9.984 -0.729 -1.294 455 HG2 GLU 58 2HG GLU 58 10.973 -2.936 -1.399 456 HG3 GLU 58 1HG GLU 58 9.472 -3.625 -2.019 457 H ILE 59 H ILE 59 7.887 -1.650 2.289 458 HA ILE 59 HA ILE 59 5.862 0.300 1.780 459 HB ILE 59 HB ILE 59 5.793 0.443 4.290 460 HG12 ILE 59 2HG1 ILE 59 7.887 -1.745 4.142 461 HG13 ILE 59 1HG1 ILE 59 8.276 -0.065 4.525 462 HG21 ILE 59 1HG2 ILE 59 5.211 -2.052 4.541 463 HG22 ILE 59 2HG2 ILE 59 5.697 -2.216 2.854 464 HG23 ILE 59 3HG2 ILE 59 4.352 -1.159 3.286 465 HD11 ILE 59 3HD1 ILE 59 6.145 -1.545 6.067 466 HD12 ILE 59 1HD1 ILE 59 7.066 -0.118 6.546 467 HD13 ILE 59 2HD1 ILE 59 7.847 -1.697 6.499 468 H PHE 60 H PHE 60 9.226 0.510 2.079 469 HA PHE 60 HA PHE 60 9.691 2.865 3.459 470 HB2 PHE 60 2HB PHE 60 11.056 1.907 0.933 471 HB3 PHE 60 1HB PHE 60 11.693 3.119 2.044 472 HD1 PHE 60 1HD PHE 60 10.899 -0.454 1.592 473 HD2 PHE 60 2HD PHE 60 12.535 2.503 4.243 474 HE1 PHE 60 1HE PHE 60 11.849 -2.252 3.012 475 HE2 PHE 60 2HE PHE 60 13.484 0.705 5.664 476 HZ PHE 60 HZ PHE 60 13.140 -1.673 5.049 477 H ARG 61 H ARG 61 8.275 2.399 0.295 478 HA ARG 61 HA ARG 61 8.592 5.008 -0.728 479 HB2 ARG 61 2HB ARG 61 6.627 2.783 -1.235 480 HB3 ARG 61 1HB ARG 61 6.394 4.356 -1.997 481 HG2 ARG 61 2HG ARG 61 7.684 2.797 -3.442 482 HG3 ARG 61 1HG ARG 61 8.616 4.230 -3.012 483 HD2 ARG 61 2HD ARG 61 9.891 3.039 -1.391 484 HD3 ARG 61 1HD ARG 61 8.786 1.668 -1.421 485 HE ARG 61 HE ARG 61 9.740 1.873 -4.002 486 HH11 ARG 61 1HH2 ARG 61 11.073 1.535 -0.828 487 HH12 ARG 61 2HH2 ARG 61 12.465 0.651 -1.355 488 HH21 ARG 61 1HH1 ARG 61 11.563 0.714 -4.702 489 HH22 ARG 61 2HH1 ARG 61 12.744 0.185 -3.550 490 H LEU 62 H LEU 62 5.872 3.561 1.094 491 HA LEU 62 HA LEU 62 4.183 5.743 1.177 492 HB2 LEU 62 2HB LEU 62 3.484 3.613 2.071 493 HB3 LEU 62 1HB LEU 62 4.746 3.659 3.299 494 HG LEU 62 HG LEU 62 3.682 5.522 4.422 495 HD11 LEU 62 1HD1 LEU 62 1.945 5.564 1.951 496 HD12 LEU 62 2HD1 LEU 62 2.834 6.894 2.692 497 HD13 LEU 62 3HD1 LEU 62 1.380 6.269 3.467 498 HD21 LEU 62 3HD2 LEU 62 1.466 4.493 4.958 499 HD22 LEU 62 1HD2 LEU 62 2.785 3.323 4.973 500 HD23 LEU 62 2HD2 LEU 62 1.686 3.393 3.597 501 H ASP 63 H ASP 63 6.778 4.943 3.490 502 HA ASP 63 HA ASP 63 6.489 7.466 4.876 503 HB2 ASP 63 2HB ASP 63 8.607 6.652 6.046 504 HB3 ASP 63 1HB ASP 63 7.173 5.643 6.233 505 H GLU 64 H GLU 64 7.305 9.319 4.164 506 HA GLU 64 HA GLU 64 8.572 10.829 2.979 507 HB2 GLU 64 2HB GLU 64 10.785 8.862 3.610 508 HB3 GLU 64 1HB GLU 64 10.981 10.567 3.202 509 HG2 GLU 64 2HG GLU 64 9.754 11.223 5.211 510 HG3 GLU 64 1HG GLU 64 9.446 9.533 5.603 511 H ALA 65 H ALA 65 7.408 10.205 1.015 512 HA ALA 65 HA ALA 65 8.399 8.264 -0.798 513 HB1 ALA 65 1HB ALA 65 6.787 10.758 -1.392 514 HB2 ALA 65 2HB ALA 65 6.111 9.202 -0.911 515 HB3 ALA 65 3HB ALA 65 6.964 9.357 -2.447 516 H LEU 66 H LEU 66 9.960 8.344 -2.313 517 HA LEU 66 HA LEU 66 11.904 10.432 -2.232 518 HB2 LEU 66 2HB LEU 66 11.500 8.010 -3.984 519 HB3 LEU 66 1HB LEU 66 12.795 9.163 -4.300 520 HG LEU 66 HG LEU 66 13.741 8.798 -2.100 521 HD11 LEU 66 1HD1 LEU 66 12.649 6.947 -0.667 522 HD12 LEU 66 2HD1 LEU 66 11.216 7.196 -1.664 523 HD13 LEU 66 3HD1 LEU 66 11.855 8.520 -0.689 524 HD21 LEU 66 3HD2 LEU 66 14.370 7.178 -3.835 525 HD22 LEU 66 1HD2 LEU 66 12.975 6.179 -3.433 526 HD23 LEU 66 2HD2 LEU 66 14.284 6.376 -2.267 527 H ARG 67 H ARG 67 10.762 12.345 -2.745 528 HA ARG 67 HA ARG 67 9.994 14.004 -4.135 529 HB2 ARG 67 2HB ARG 67 12.148 13.393 -5.303 530 HB3 ARG 67 1HB ARG 67 11.197 12.356 -6.367 531 HG2 ARG 67 2HG ARG 67 9.871 14.261 -7.110 532 HG3 ARG 67 1HG ARG 67 10.703 15.321 -5.972 533 HD2 ARG 67 2HD ARG 67 11.653 15.568 -8.227 534 HD3 ARG 67 1HD ARG 67 12.841 14.878 -7.123 535 HE ARG 67 HE ARG 67 11.444 12.779 -8.402 536 HH11 ARG 67 1HH2 ARG 67 13.701 15.326 -9.029 537 HH12 ARG 67 2HH2 ARG 67 14.481 14.500 -10.338 538 HH21 ARG 67 1HH1 ARG 67 12.461 11.690 -10.116 539 HH22 ARG 67 2HH1 ARG 67 13.779 12.441 -10.952 540 H LYS 68 H LYS 68 8.318 14.527 -5.634 541 HA LYS 68 HA LYS 68 6.123 12.770 -5.591 542 HB2 LYS 68 2HB LYS 68 6.288 15.378 -5.985 543 HB3 LYS 68 1HB LYS 68 6.350 14.922 -7.685 544 HG2 LYS 68 2HG LYS 68 4.181 14.045 -5.745 545 HG3 LYS 68 1HG LYS 68 4.027 15.382 -6.883 546 HD2 LYS 68 2HD LYS 68 4.649 13.672 -8.708 547 HD3 LYS 68 1HD LYS 68 4.316 12.439 -7.492 548 HE2 LYS 68 2HE LYS 68 2.375 14.576 -8.421 549 HE3 LYS 68 1HE LYS 68 2.310 12.866 -8.847 550 HZ1 LYS 68 3HZ LYS 68 1.590 14.188 -6.367 551 HZ2 LYS 68 1HZ LYS 68 2.422 12.721 -6.193 552 HZ3 LYS 68 2HZ LYS 68 0.967 12.772 -7.067 553 H GLY 69 H GLY 69 6.370 10.795 -6.499 554 HA2 GLY 69 2HA GLY 69 7.852 9.971 -8.638 555 HA3 GLY 69 1HA GLY 69 6.302 9.249 -8.219 556 H HIS 70 H HIS 70 6.947 9.195 -10.814 557 HA HIS 70 HA HIS 70 6.242 9.774 -12.921 558 HB2 HIS 70 2HB HIS 70 4.029 9.412 -11.865 559 HB3 HIS 70 1HB HIS 70 3.990 11.114 -11.406 560 HD2 HIS 70 2HD HIS 70 4.865 9.535 -14.968 561 HE1 HIS 70 1HE HIS 70 1.867 12.471 -15.433 562 HE2 HIS 70 2HE HIS 70 3.357 10.825 -16.664 563 H SER 71 H SER 71 7.983 11.144 -13.403 564 HA SER 71 HA SER 71 7.279 13.836 -14.015 565 HB2 SER 71 2HB SER 71 8.989 14.927 -12.555 566 HB3 SER 71 1HB SER 71 7.640 14.238 -11.657 567 HG SER 71 HG SER 71 9.069 12.305 -11.525 568 H GLU 72 H GLU 72 8.649 14.693 -15.526 569 HA GLU 72 HA GLU 72 10.411 12.951 -16.891 570 HB2 GLU 72 2HB GLU 72 10.214 15.968 -17.055 571 HB3 GLU 72 1HB GLU 72 10.990 14.917 -18.239 572 HG2 GLU 72 2HG GLU 72 8.074 14.709 -17.447 573 HG3 GLU 72 1HG GLU 72 8.650 15.579 -18.869 574 H GLY 73 H GLY 73 10.924 15.458 -14.471 575 HA2 GLY 73 2HA GLY 73 12.760 15.995 -13.194 576 HA3 GLY 73 1HA GLY 73 13.382 14.396 -13.587 577 H GLY 74 H GLY 74 13.360 17.772 -14.478 578 HA2 GLY 74 2HA GLY 74 15.972 17.741 -15.522 579 HA3 GLY 74 1HA GLY 74 14.838 17.659 -16.867 580 H1 HOH 201 H2 HOH 77 2.626 14.999 -12.860 581 H2 HOH 201 H1 HOH 77 3.420 13.827 -12.324 Start of MODEL 11 1 H1 VAL 1 1H VAL 1 -4.117 15.805 -1.123 2 H2 VAL 1 2H VAL 1 -4.034 17.316 -1.889 3 HA VAL 1 HA VAL 1 -2.270 17.124 -0.291 4 HB VAL 1 HB VAL 1 -2.748 19.141 1.036 5 HG11 VAL 1 2HG1 VAL 1 -3.958 19.291 -1.740 6 HG12 VAL 1 3HG1 VAL 1 -2.229 19.309 -1.394 7 HG13 VAL 1 1HG1 VAL 1 -3.252 20.628 -0.831 8 HG21 VAL 1 1HG2 VAL 1 -5.585 18.875 -0.000 9 HG22 VAL 1 2HG2 VAL 1 -4.962 20.163 1.021 10 HG23 VAL 1 3HG2 VAL 1 -5.102 18.527 1.657 11 H ASP 2 H ASP 2 -3.862 14.854 0.312 12 HA ASP 2 HA ASP 2 -3.513 14.785 3.226 13 HB2 ASP 2 2HB ASP 2 -6.042 13.641 2.063 14 HB3 ASP 2 1HB ASP 2 -5.695 14.112 3.726 15 H MET 3 H MET 3 -2.680 12.898 3.908 16 HA MET 3 HA MET 3 -1.604 11.029 2.142 17 HB2 MET 3 2HB MET 3 -2.324 10.728 5.065 18 HB3 MET 3 1HB MET 3 -1.336 9.581 4.161 19 HG2 MET 3 2HG MET 3 0.304 11.334 3.674 20 HG3 MET 3 1HG MET 3 -0.697 12.526 4.503 21 HE1 MET 3 3HE MET 3 2.100 12.341 7.057 22 HE2 MET 3 1HE MET 3 0.955 13.352 6.164 23 HE3 MET 3 2HE MET 3 2.170 12.414 5.298 24 H SER 4 H SER 4 -4.765 11.185 3.627 25 HA SER 4 HA SER 4 -5.622 8.543 3.290 26 HB2 SER 4 2HB SER 4 -6.887 10.279 4.530 27 HB3 SER 4 1HB SER 4 -7.275 11.065 3.002 28 HG SER 4 HG SER 4 -8.949 9.683 3.571 29 H ASN 5 H ASN 5 -5.059 11.044 0.968 30 HA ASN 5 HA ASN 5 -6.695 9.939 -1.121 31 HB2 ASN 5 2HB ASN 5 -6.034 12.335 -1.031 32 HB3 ASN 5 1HB ASN 5 -4.364 11.858 -1.333 33 HD21 ASN 5 1HD2 ASN 5 -7.615 11.191 -2.778 34 HD22 ASN 5 2HD2 ASN 5 -7.078 11.318 -4.383 35 H VAL 6 H VAL 6 -6.233 7.904 -1.750 36 HA VAL 6 HA VAL 6 -3.476 7.338 -2.689 37 HB VAL 6 HB VAL 6 -3.882 4.962 -1.944 38 HG11 VAL 6 1HG1 VAL 6 -3.438 5.487 0.476 39 HG12 VAL 6 2HG1 VAL 6 -3.806 7.176 0.125 40 HG13 VAL 6 3HG1 VAL 6 -2.424 6.397 -0.644 41 HG21 VAL 6 3HG2 VAL 6 -6.143 6.286 -0.412 42 HG22 VAL 6 1HG2 VAL 6 -5.614 4.615 -0.222 43 HG23 VAL 6 2HG2 VAL 6 -6.344 5.141 -1.739 44 H VAL 7 H VAL 7 -3.343 5.823 -4.420 45 HA VAL 7 HA VAL 7 -5.535 6.050 -6.279 46 HB VAL 7 HB VAL 7 -3.154 6.148 -6.988 47 HG11 VAL 7 1HG1 VAL 7 -3.142 3.168 -6.450 48 HG12 VAL 7 2HG1 VAL 7 -2.434 4.347 -5.346 49 HG13 VAL 7 3HG1 VAL 7 -1.790 4.168 -6.979 50 HG21 VAL 7 3HG2 VAL 7 -5.066 5.404 -8.496 51 HG22 VAL 7 1HG2 VAL 7 -4.568 3.744 -8.173 52 HG23 VAL 7 2HG2 VAL 7 -3.465 4.853 -8.989 53 H LYS 8 H LYS 8 -4.631 3.829 -3.856 54 HA LYS 8 HA LYS 8 -6.770 2.001 -4.679 55 HB2 LYS 8 2HB LYS 8 -4.528 1.183 -5.624 56 HB3 LYS 8 1HB LYS 8 -4.051 0.903 -3.954 57 HG2 LYS 8 2HG LYS 8 -5.072 -1.139 -4.096 58 HG3 LYS 8 1HG LYS 8 -6.610 -0.284 -4.116 59 HD2 LYS 8 2HD LYS 8 -4.984 -0.881 -6.610 60 HD3 LYS 8 1HD LYS 8 -6.302 -1.893 -6.028 61 HE2 LYS 8 2HE LYS 8 -7.386 -0.513 -7.583 62 HE3 LYS 8 1HE LYS 8 -7.696 0.331 -6.066 63 HZ1 LYS 8 3HZ LYS 8 -6.872 1.744 -7.938 64 HZ2 LYS 8 1HZ LYS 8 -5.385 0.939 -7.822 65 HZ3 LYS 8 2HZ LYS 8 -5.961 1.851 -6.508 66 H THR 9 H THR 9 -7.596 0.752 -2.978 67 HA THR 9 HA THR 9 -6.463 1.000 -0.310 68 HB THR 9 HB THR 9 -9.263 2.020 -0.812 69 HG1 THR 9 1HG THR 9 -8.142 4.063 -0.241 70 HG21 THR 9 3HG2 THR 9 -9.055 2.833 1.488 71 HG22 THR 9 1HG2 THR 9 -7.406 2.216 1.575 72 HG23 THR 9 2HG2 THR 9 -8.761 1.094 1.434 73 H TYR 10 H TYR 10 -6.481 -1.084 0.259 74 HA TYR 10 HA TYR 10 -8.869 -2.729 -0.356 75 HB2 TYR 10 2HB TYR 10 -5.977 -3.452 0.138 76 HB3 TYR 10 1HB TYR 10 -7.265 -4.647 0.201 77 HD1 TYR 10 2HD TYR 10 -8.999 -4.395 -1.912 78 HD2 TYR 10 1HD TYR 10 -4.837 -3.299 -1.905 79 HE1 TYR 10 2HE TYR 10 -8.937 -4.598 -4.377 80 HE2 TYR 10 1HE TYR 10 -4.785 -3.510 -4.371 81 HH TYR 10 HH TYR 10 -7.093 -5.078 -6.133 82 H ASP 11 H ASP 11 -10.237 -2.714 1.317 83 HA ASP 11 HA ASP 11 -9.495 -2.160 3.995 84 HB2 ASP 11 2HB ASP 11 -11.984 -3.350 2.776 85 HB3 ASP 11 1HB ASP 11 -11.815 -3.020 4.500 86 H LEU 12 H LEU 12 -7.891 -3.546 4.673 87 HA LEU 12 HA LEU 12 -8.072 -6.396 4.469 88 HB2 LEU 12 2HB LEU 12 -6.185 -4.403 5.461 89 HB3 LEU 12 1HB LEU 12 -6.280 -5.766 6.571 90 HG LEU 12 HG LEU 12 -5.729 -7.329 4.795 91 HD11 LEU 12 1HD1 LEU 12 -6.308 -4.994 3.038 92 HD12 LEU 12 2HD1 LEU 12 -6.574 -6.715 2.759 93 HD13 LEU 12 3HD1 LEU 12 -4.970 -6.031 2.541 94 HD21 LEU 12 3HD2 LEU 12 -3.484 -6.053 3.983 95 HD22 LEU 12 1HD2 LEU 12 -3.686 -6.667 5.623 96 HD23 LEU 12 2HD2 LEU 12 -3.961 -4.958 5.276 97 H GLN 13 H GLN 13 -8.182 -7.861 6.322 98 HA GLN 13 HA GLN 13 -10.454 -7.244 7.977 99 HB2 GLN 13 2HB GLN 13 -8.608 -9.628 7.791 100 HB3 GLN 13 1HB GLN 13 -9.937 -9.535 8.949 101 HG2 GLN 13 2HG GLN 13 -11.557 -9.295 7.167 102 HG3 GLN 13 1HG GLN 13 -10.275 -9.170 5.961 103 HE21 GLN 13 1HE2 GLN 13 -10.570 -11.475 8.710 104 HE22 GLN 13 2HE2 GLN 13 -10.550 -12.868 7.731 105 H ASP 14 H ASP 14 -7.061 -6.899 8.267 106 HA ASP 14 HA ASP 14 -6.975 -7.006 11.161 107 HB2 ASP 14 2HB ASP 14 -4.948 -6.060 9.121 108 HB3 ASP 14 1HB ASP 14 -4.643 -6.205 10.853 109 H GLY 15 H GLY 15 -8.599 -4.983 9.405 110 HA2 GLY 15 2HA GLY 15 -9.453 -2.883 9.884 111 HA3 GLY 15 1HA GLY 15 -8.350 -2.791 11.257 112 H SER 16 H SER 16 -6.272 -3.613 9.011 113 HA SER 16 HA SER 16 -5.359 -0.904 8.570 114 HB2 SER 16 2HB SER 16 -3.494 -2.098 7.334 115 HB3 SER 16 1HB SER 16 -3.668 -2.522 9.037 116 HG SER 16 HG SER 16 -4.180 -4.479 8.466 117 H LYS 17 H LYS 17 -4.315 -0.702 6.178 118 HA LYS 17 HA LYS 17 -6.191 -1.554 4.105 119 HB2 LYS 17 2HB LYS 17 -5.726 1.360 4.791 120 HB3 LYS 17 1HB LYS 17 -6.526 0.790 3.327 121 HG2 LYS 17 2HG LYS 17 -8.136 -0.468 4.850 122 HG3 LYS 17 1HG LYS 17 -7.444 0.447 6.185 123 HD2 LYS 17 2HD LYS 17 -8.684 1.685 3.710 124 HD3 LYS 17 1HD LYS 17 -9.501 1.516 5.263 125 HE2 LYS 17 2HE LYS 17 -7.476 2.792 6.250 126 HE3 LYS 17 1HE LYS 17 -7.115 3.232 4.580 127 HZ1 LYS 17 3HZ LYS 17 -8.468 4.929 5.499 128 HZ2 LYS 17 1HZ LYS 17 -9.594 3.812 6.099 129 HZ3 LYS 17 2HZ LYS 17 -9.445 4.048 4.422 130 H VAL 18 H VAL 18 -5.064 -2.064 2.344 131 HA VAL 18 HA VAL 18 -2.254 -1.377 2.187 132 HB VAL 18 HB VAL 18 -3.703 -2.723 -0.069 133 HG11 VAL 18 1HG1 VAL 18 -1.305 -2.304 -0.264 134 HG12 VAL 18 2HG1 VAL 18 -1.610 -4.037 -0.144 135 HG13 VAL 18 3HG1 VAL 18 -1.019 -3.146 1.260 136 HG21 VAL 18 3HG2 VAL 18 -2.950 -4.138 2.499 137 HG22 VAL 18 1HG2 VAL 18 -3.618 -4.883 1.043 138 HG23 VAL 18 2HG2 VAL 18 -4.603 -3.779 2.001 139 H HIS 19 H HIS 19 -1.276 -0.237 0.415 140 HA HIS 19 HA HIS 19 -3.048 1.282 -1.367 141 HB2 HIS 19 2HB HIS 19 -2.578 3.360 -0.524 142 HB3 HIS 19 1HB HIS 19 -2.210 2.477 0.952 143 HD1 HIS 19 1HD HIS 19 -0.693 4.558 -1.684 144 HD2 HIS 19 2HD HIS 19 0.679 2.047 1.351 145 HE1 HIS 19 1HE HIS 19 1.766 5.070 -1.387 146 HE2 HIS 19 2HE HIS 19 2.621 3.536 0.447 147 H VAL 20 H VAL 20 -2.300 0.902 -3.374 148 HA VAL 20 HA VAL 20 0.519 0.178 -3.702 149 HB VAL 20 HB VAL 20 -0.069 -1.019 -5.575 150 HG11 VAL 20 1HG1 VAL 20 -2.910 -0.984 -4.692 151 HG12 VAL 20 2HG1 VAL 20 -1.725 -1.436 -3.481 152 HG13 VAL 20 3HG1 VAL 20 -1.846 -2.352 -4.980 153 HG21 VAL 20 3HG2 VAL 20 -2.130 -0.428 -6.969 154 HG22 VAL 20 1HG2 VAL 20 -0.794 0.720 -7.028 155 HG23 VAL 20 2HG2 VAL 20 -2.210 1.065 -6.034 156 H PHE 21 H PHE 21 1.810 0.994 -5.397 157 HA PHE 21 HA PHE 21 1.433 3.884 -5.806 158 HB2 PHE 21 2HB PHE 21 3.829 2.061 -6.128 159 HB3 PHE 21 1HB PHE 21 3.840 3.784 -6.495 160 HD1 PHE 21 2HD PHE 21 3.516 1.265 -3.814 161 HD2 PHE 21 1HD PHE 21 3.788 5.450 -4.735 162 HE1 PHE 21 2HE PHE 21 3.907 1.764 -1.417 163 HE2 PHE 21 1HE PHE 21 4.180 5.952 -2.338 164 HZ PHE 21 HZ PHE 21 4.239 4.107 -0.679 165 H LYS 22 H LYS 22 2.999 4.273 -8.023 166 HA LYS 22 HA LYS 22 1.197 3.515 -10.143 167 HB2 LYS 22 2HB LYS 22 3.829 5.011 -10.206 168 HB3 LYS 22 1HB LYS 22 2.725 4.840 -11.570 169 HG2 LYS 22 2HG LYS 22 1.027 6.111 -10.496 170 HG3 LYS 22 1HG LYS 22 1.825 5.994 -8.927 171 HD2 LYS 22 2HD LYS 22 2.208 8.218 -9.848 172 HD3 LYS 22 1HD LYS 22 3.730 7.327 -9.840 173 HE2 LYS 22 2HE LYS 22 3.626 6.917 -12.179 174 HE3 LYS 22 1HE LYS 22 1.924 7.369 -12.264 175 HZ1 LYS 22 3HZ LYS 22 2.548 9.433 -12.692 176 HZ2 LYS 22 1HZ LYS 22 4.184 9.011 -12.547 177 HZ3 LYS 22 2HZ LYS 22 3.316 9.524 -11.179 178 H ASP 23 H ASP 23 4.094 2.271 -8.780 179 HA ASP 23 HA ASP 23 4.988 0.853 -11.129 180 HB2 ASP 23 2HB ASP 23 5.745 0.550 -8.213 181 HB3 ASP 23 1HB ASP 23 6.562 -0.239 -9.564 182 H GLY 24 H GLY 24 2.407 0.446 -9.092 183 HA2 GLY 24 2HA GLY 24 0.817 -1.273 -9.212 184 HA3 GLY 24 1HA GLY 24 2.018 -2.315 -9.965 185 H LYS 25 H LYS 25 3.889 -1.346 -7.665 186 HA LYS 25 HA LYS 25 3.555 -3.632 -5.988 187 HB2 LYS 25 2HB LYS 25 5.170 -1.083 -5.820 188 HB3 LYS 25 1HB LYS 25 5.167 -2.238 -4.494 189 HG2 LYS 25 2HG LYS 25 5.868 -4.026 -6.077 190 HG3 LYS 25 1HG LYS 25 5.945 -2.821 -7.363 191 HD2 LYS 25 2HD LYS 25 7.578 -1.526 -5.933 192 HD3 LYS 25 1HD LYS 25 7.613 -2.909 -4.838 193 HE2 LYS 25 2HE LYS 25 8.441 -4.357 -6.600 194 HE3 LYS 25 1HE LYS 25 8.257 -3.074 -7.795 195 HZ1 LYS 25 3HZ LYS 25 9.879 -2.488 -5.441 196 HZ2 LYS 25 1HZ LYS 25 10.078 -1.985 -7.048 197 HZ3 LYS 25 2HZ LYS 25 10.540 -3.553 -6.587 198 H MET 26 H MET 26 2.670 -3.806 -3.942 199 HA MET 26 HA MET 26 0.516 -1.997 -3.330 200 HB2 MET 26 2HB MET 26 1.487 -4.622 -2.293 201 HB3 MET 26 1HB MET 26 0.476 -3.653 -1.220 202 HG2 MET 26 2HG MET 26 -1.305 -3.589 -2.807 203 HG3 MET 26 1HG MET 26 -0.286 -4.247 -4.085 204 HE1 MET 26 3HE MET 26 -1.970 -5.763 -4.703 205 HE2 MET 26 1HE MET 26 -2.117 -7.401 -4.055 206 HE3 MET 26 2HE MET 26 -0.582 -6.849 -4.719 207 H GLY 27 H GLY 27 0.436 -1.916 -0.592 208 HA2 GLY 27 2HA GLY 27 2.918 -0.913 0.508 209 HA3 GLY 27 1HA GLY 27 1.758 0.360 0.140 210 H MET 28 H MET 28 2.805 -1.703 2.517 211 HA MET 28 HA MET 28 0.222 -2.155 3.781 212 HB2 MET 28 2HB MET 28 2.234 -3.757 3.795 213 HB3 MET 28 1HB MET 28 2.926 -2.681 5.000 214 HG2 MET 28 2HG MET 28 1.753 -4.408 6.186 215 HG3 MET 28 1HG MET 28 0.812 -2.929 6.324 216 HE1 MET 28 3HE MET 28 -1.960 -5.324 6.410 217 HE2 MET 28 1HE MET 28 -2.053 -3.571 6.196 218 HE3 MET 28 2HE MET 28 -0.814 -4.277 7.233 219 H GLU 29 H GLU 29 -0.485 -1.265 5.667 220 HA GLU 29 HA GLU 29 1.076 0.704 7.117 221 HB2 GLU 29 2HB GLU 29 0.061 1.942 5.147 222 HB3 GLU 29 1HB GLU 29 -1.521 1.576 5.833 223 HG2 GLU 29 2HG GLU 29 -0.689 2.632 7.995 224 HG3 GLU 29 1HG GLU 29 0.698 3.213 7.075 225 H ASN 30 H ASN 30 0.669 0.195 9.192 226 HA ASN 30 HA ASN 30 -1.463 -1.461 9.999 227 HB2 ASN 30 2HB ASN 30 -0.664 -1.214 12.194 228 HB3 ASN 30 1HB ASN 30 0.772 -0.994 11.199 229 HD21 ASN 30 1HD2 ASN 30 -0.438 1.788 10.430 230 HD22 ASN 30 2HD2 ASN 30 -0.015 2.762 11.760 231 H LYS 31 H LYS 31 -3.265 -0.974 11.377 232 HA LYS 31 HA LYS 31 -4.964 0.985 10.424 233 HB2 LYS 31 2HB LYS 31 -6.190 0.655 12.670 234 HB3 LYS 31 1HB LYS 31 -5.982 -0.752 11.628 235 HG2 LYS 31 2HG LYS 31 -5.436 -1.370 13.912 236 HG3 LYS 31 1HG LYS 31 -3.959 -1.390 12.954 237 HD2 LYS 31 2HD LYS 31 -3.104 0.522 13.979 238 HD3 LYS 31 1HD LYS 31 -4.698 1.137 14.412 239 HE2 LYS 31 2HE LYS 31 -4.912 -0.416 16.209 240 HE3 LYS 31 1HE LYS 31 -3.546 -1.375 15.639 241 HZ1 LYS 31 3HZ LYS 31 -2.173 -0.106 16.797 242 HZ2 LYS 31 1HZ LYS 31 -3.499 0.734 17.439 243 HZ3 LYS 31 2HZ LYS 31 -2.741 1.299 16.027 244 H PHE 32 H PHE 32 -2.201 1.537 12.201 245 HA PHE 32 HA PHE 32 -3.221 3.910 13.590 246 HB2 PHE 32 2HB PHE 32 -1.431 2.112 14.424 247 HB3 PHE 32 1HB PHE 32 -0.309 3.171 13.572 248 HD1 PHE 32 2HD PHE 32 -2.947 3.088 16.201 249 HD2 PHE 32 1HD PHE 32 0.344 5.267 14.504 250 HE1 PHE 32 2HE PHE 32 -2.993 4.657 18.122 251 HE2 PHE 32 1HE PHE 32 0.296 6.836 16.425 252 HZ PHE 32 HZ PHE 32 -1.372 6.531 18.235 253 H GLY 33 H GLY 33 -2.752 3.466 10.540 254 HA2 GLY 33 2HA GLY 33 -2.241 4.846 8.766 255 HA3 GLY 33 1HA GLY 33 -2.059 6.155 9.935 256 H LYS 34 H LYS 34 -0.151 3.677 10.949 257 HA LYS 34 HA LYS 34 2.282 4.949 9.903 258 HB2 LYS 34 2HB LYS 34 1.989 4.542 12.362 259 HB3 LYS 34 1HB LYS 34 2.004 2.812 12.028 260 HG2 LYS 34 2HG LYS 34 4.251 2.860 11.272 261 HG3 LYS 34 1HG LYS 34 4.245 4.613 11.095 262 HD2 LYS 34 2HD LYS 34 5.481 3.842 13.129 263 HD3 LYS 34 1HD LYS 34 4.128 4.909 13.506 264 HE2 LYS 34 2HE LYS 34 3.788 1.908 13.485 265 HE3 LYS 34 1HE LYS 34 4.376 2.753 14.915 266 HZ1 LYS 34 3HZ LYS 34 2.235 4.228 14.135 267 HZ2 LYS 34 1HZ LYS 34 2.243 3.082 15.385 268 HZ3 LYS 34 2HZ LYS 34 1.729 2.635 13.828 269 H SER 35 H SER 35 4.101 3.501 9.303 270 HA SER 35 HA SER 35 3.238 1.604 7.323 271 HB2 SER 35 2HB SER 35 5.534 1.468 6.708 272 HB3 SER 35 1HB SER 35 5.251 3.147 7.153 273 HG SER 35 HG SER 35 6.951 1.381 8.222 274 H MET 36 H MET 36 3.489 -0.614 7.310 275 HA MET 36 HA MET 36 4.380 -1.908 9.817 276 HB2 MET 36 2HB MET 36 1.770 -1.728 9.230 277 HB3 MET 36 1HB MET 36 2.145 -3.120 8.219 278 HG2 MET 36 2HG MET 36 3.348 -4.010 10.379 279 HG3 MET 36 1HG MET 36 2.306 -2.856 11.209 280 HE1 MET 36 3HE MET 36 0.978 -6.521 11.635 281 HE2 MET 36 1HE MET 36 2.430 -5.544 11.899 282 HE3 MET 36 2HE MET 36 2.325 -6.611 10.503 283 H ASN 37 H ASN 37 6.117 -3.092 9.347 284 HA ASN 37 HA ASN 37 6.836 -3.849 6.702 285 HB2 ASN 37 2HB ASN 37 8.531 -3.459 8.405 286 HB3 ASN 37 1HB ASN 37 7.899 -4.790 9.372 287 HD21 ASN 37 1HD2 ASN 37 7.627 -5.579 6.087 288 HD22 ASN 37 2HD2 ASN 37 9.054 -6.496 5.938 289 H MET 38 H MET 38 5.382 -5.164 5.693 290 HA MET 38 HA MET 38 4.671 -7.723 6.994 291 HB2 MET 38 2HB MET 38 2.735 -6.481 6.298 292 HB3 MET 38 1HB MET 38 3.399 -6.256 4.677 293 HG2 MET 38 2HG MET 38 3.214 -8.588 4.188 294 HG3 MET 38 1HG MET 38 2.939 -8.989 5.874 295 HE1 MET 38 3HE MET 38 -0.650 -8.346 6.597 296 HE2 MET 38 1HE MET 38 0.928 -7.849 7.227 297 HE3 MET 38 2HE MET 38 0.654 -9.525 6.756 298 HA PRO 39 HA PRO 39 7.954 -9.471 4.342 299 HB2 PRO 39 2HB PRO 39 6.213 -11.885 4.793 300 HB3 PRO 39 1HB PRO 39 7.984 -11.746 4.859 301 HG2 PRO 39 2HG PRO 39 6.540 -11.822 7.087 302 HG3 PRO 39 1HG PRO 39 7.960 -10.768 6.953 303 HD2 PRO 39 2HD PRO 39 5.067 -10.028 6.945 304 HD3 PRO 39 1HD PRO 39 6.469 -9.083 7.474 305 H GLU 40 H GLU 40 8.102 -10.179 2.178 306 HA GLU 40 HA GLU 40 5.852 -9.527 0.509 307 HB2 GLU 40 2HB GLU 40 8.284 -9.072 -0.048 308 HB3 GLU 40 1HB GLU 40 8.461 -10.807 -0.325 309 HG2 GLU 40 2HG GLU 40 6.549 -10.663 -1.950 310 HG3 GLU 40 1HG GLU 40 6.604 -8.908 -1.780 311 H GLY 41 H GLY 41 4.322 -11.133 1.232 312 HA2 GLY 41 2HA GLY 41 3.792 -13.227 -0.375 313 HA3 GLY 41 1HA GLY 41 4.917 -13.945 0.776 314 H LYS 42 H LYS 42 3.617 -11.771 2.689 315 HA LYS 42 HA LYS 42 1.849 -13.622 3.965 316 HB2 LYS 42 2HB LYS 42 2.842 -10.863 4.481 317 HB3 LYS 42 1HB LYS 42 1.319 -11.289 5.253 318 HG2 LYS 42 2HG LYS 42 3.618 -13.229 5.445 319 HG3 LYS 42 1HG LYS 42 3.652 -11.787 6.453 320 HD2 LYS 42 2HD LYS 42 1.680 -12.370 7.593 321 HD3 LYS 42 1HD LYS 42 1.190 -13.523 6.350 322 HE2 LYS 42 2HE LYS 42 3.569 -13.834 8.208 323 HE3 LYS 42 1HE LYS 42 2.037 -14.696 8.350 324 HZ1 LYS 42 3HZ LYS 42 2.887 -16.207 6.992 325 HZ2 LYS 42 1HZ LYS 42 4.259 -15.261 6.680 326 HZ3 LYS 42 2HZ LYS 42 2.855 -15.052 5.747 327 H VAL 43 H VAL 43 0.188 -14.147 2.699 328 HA VAL 43 HA VAL 43 -1.319 -12.574 0.994 329 HB VAL 43 HB VAL 43 -2.510 -14.786 2.665 330 HG11 VAL 43 1HG1 VAL 43 -3.916 -15.142 0.787 331 HG12 VAL 43 2HG1 VAL 43 -2.886 -14.182 -0.272 332 HG13 VAL 43 3HG1 VAL 43 -3.855 -13.390 0.968 333 HG21 VAL 43 3HG2 VAL 43 -0.502 -14.922 0.406 334 HG22 VAL 43 1HG2 VAL 43 -1.596 -16.261 0.755 335 HG23 VAL 43 2HG2 VAL 43 -0.440 -15.726 1.974 336 H MET 44 H MET 44 -2.813 -11.027 1.226 337 HA MET 44 HA MET 44 -3.932 -10.524 3.937 338 HB2 MET 44 2HB MET 44 -3.737 -8.497 1.715 339 HB3 MET 44 1HB MET 44 -4.056 -8.211 3.408 340 HG2 MET 44 2HG MET 44 -1.798 -8.715 4.003 341 HG3 MET 44 1HG MET 44 -1.450 -9.378 2.408 342 HE1 MET 44 3HE MET 44 -1.011 -6.657 0.053 343 HE2 MET 44 1HE MET 44 -2.735 -6.934 0.315 344 HE3 MET 44 2HE MET 44 -1.605 -8.284 0.363 345 H GLU 45 H GLU 45 -6.128 -10.574 4.130 346 HA GLU 45 HA GLU 45 -7.702 -11.002 1.647 347 HB2 GLU 45 2HB GLU 45 -7.519 -12.898 3.334 348 HB3 GLU 45 1HB GLU 45 -8.458 -11.884 4.432 349 HG2 GLU 45 2HG GLU 45 -10.078 -13.207 3.338 350 HG3 GLU 45 1HG GLU 45 -10.150 -11.660 2.499 351 H THR 46 H THR 46 -9.065 -9.433 1.122 352 HA THR 46 HA THR 46 -9.640 -7.293 2.981 353 HB THR 46 HB THR 46 -10.662 -6.189 1.145 354 HG1 THR 46 1HG THR 46 -11.995 -7.695 0.310 355 HG21 THR 46 3HG2 THR 46 -8.163 -6.628 1.038 356 HG22 THR 46 1HG2 THR 46 -8.928 -6.248 -0.502 357 HG23 THR 46 2HG2 THR 46 -8.521 -7.917 -0.107 358 H ARG 47 H ARG 47 -11.860 -6.553 3.388 359 HA ARG 47 HA ARG 47 -13.443 -8.478 4.629 360 HB2 ARG 47 2HB ARG 47 -15.231 -6.735 4.611 361 HB3 ARG 47 1HB ARG 47 -13.670 -6.123 5.167 362 HG2 ARG 47 2HG ARG 47 -13.228 -5.338 2.814 363 HG3 ARG 47 1HG ARG 47 -14.888 -5.780 2.413 364 HD2 ARG 47 2HD ARG 47 -15.719 -4.249 4.158 365 HD3 ARG 47 1HD ARG 47 -14.063 -3.806 4.561 366 HE ARG 47 HE ARG 47 -14.395 -3.335 1.827 367 HH11 ARG 47 1HH2 ARG 47 -15.676 -2.265 4.859 368 HH12 ARG 47 2HH2 ARG 47 -16.038 -0.667 4.298 369 HH21 ARG 47 1HH1 ARG 47 -14.868 -1.242 1.084 370 HH22 ARG 47 2HH1 ARG 47 -15.582 -0.088 2.160 371 H ASP 48 H ASP 48 -13.602 -7.186 1.345 372 HA ASP 48 HA ASP 48 -16.043 -8.498 0.645 373 HB2 ASP 48 2HB ASP 48 -15.191 -6.513 -0.559 374 HB3 ASP 48 1HB ASP 48 -13.829 -7.472 -1.148 375 H GLY 49 H GLY 49 -13.126 -9.772 1.434 376 HA2 GLY 49 2HA GLY 49 -12.354 -11.950 1.292 377 HA3 GLY 49 1HA GLY 49 -13.758 -12.338 0.295 378 H THR 50 H THR 50 -11.342 -9.821 -0.301 379 HA THR 50 HA THR 50 -10.756 -11.047 -2.921 380 HB THR 50 HB THR 50 -9.928 -8.314 -1.934 381 HG1 THR 50 1HG THR 50 -12.325 -9.012 -2.124 382 HG21 THR 50 3HG2 THR 50 -9.854 -7.874 -4.389 383 HG22 THR 50 1HG2 THR 50 -10.220 -9.575 -4.671 384 HG23 THR 50 2HG2 THR 50 -8.712 -9.117 -3.879 385 H LYS 51 H LYS 51 -9.000 -12.275 -3.065 386 HA LYS 51 HA LYS 51 -6.962 -12.248 -1.032 387 HB2 LYS 51 2HB LYS 51 -7.665 -14.326 -2.185 388 HB3 LYS 51 1HB LYS 51 -7.004 -13.689 -3.692 389 HG2 LYS 51 2HG LYS 51 -4.768 -13.582 -2.723 390 HG3 LYS 51 1HG LYS 51 -5.394 -14.067 -1.149 391 HD2 LYS 51 2HD LYS 51 -4.572 -16.095 -1.989 392 HD3 LYS 51 1HD LYS 51 -6.275 -16.185 -2.430 393 HE2 LYS 51 2HE LYS 51 -4.819 -16.818 -4.327 394 HE3 LYS 51 1HE LYS 51 -5.743 -15.363 -4.692 395 HZ1 LYS 51 3HZ LYS 51 -3.015 -15.246 -3.559 396 HZ2 LYS 51 1HZ LYS 51 -3.884 -14.013 -4.332 397 HZ3 LYS 51 2HZ LYS 51 -3.289 -15.325 -5.234 398 H ILE 52 H ILE 52 -5.324 -10.887 -0.956 399 HA ILE 52 HA ILE 52 -4.033 -9.989 -3.455 400 HB ILE 52 HB ILE 52 -3.767 -7.710 -2.175 401 HG12 ILE 52 2HG1 ILE 52 -6.372 -8.683 -0.985 402 HG13 ILE 52 1HG1 ILE 52 -4.857 -8.685 -0.111 403 HG21 ILE 52 1HG2 ILE 52 -5.789 -6.860 -3.216 404 HG22 ILE 52 2HG2 ILE 52 -6.473 -8.484 -3.289 405 HG23 ILE 52 3HG2 ILE 52 -5.071 -8.070 -4.281 406 HD11 ILE 52 3HD1 ILE 52 -6.384 -6.322 -1.182 407 HD12 ILE 52 1HD1 ILE 52 -4.688 -6.189 -0.719 408 HD13 ILE 52 2HD1 ILE 52 -5.895 -6.635 0.482 409 H ILE 53 H ILE 53 -1.914 -10.294 -3.374 410 HA ILE 53 HA ILE 53 -0.662 -11.095 -0.853 411 HB ILE 53 HB ILE 53 0.728 -10.932 -3.522 412 HG12 ILE 53 2HG1 ILE 53 -1.340 -12.065 -4.016 413 HG13 ILE 53 1HG1 ILE 53 -0.077 -13.289 -3.894 414 HG21 ILE 53 1HG2 ILE 53 1.924 -12.898 -2.595 415 HG22 ILE 53 2HG2 ILE 53 0.954 -12.782 -1.128 416 HG23 ILE 53 3HG2 ILE 53 2.075 -11.487 -1.548 417 HD11 ILE 53 3HD1 ILE 53 -2.253 -12.629 -1.910 418 HD12 ILE 53 1HD1 ILE 53 -0.803 -13.499 -1.417 419 HD13 ILE 53 2HD1 ILE 53 -1.868 -14.186 -2.639 420 H MET 54 H MET 54 1.065 -10.081 0.090 421 HA MET 54 HA MET 54 1.229 -7.244 -0.215 422 HB2 MET 54 2HB MET 54 1.610 -8.459 1.943 423 HB3 MET 54 1HB MET 54 3.122 -9.082 1.278 424 HG2 MET 54 2HG MET 54 3.726 -7.142 2.532 425 HG3 MET 54 1HG MET 54 3.778 -6.650 0.851 426 HE1 MET 54 3HE MET 54 2.165 -3.407 1.222 427 HE2 MET 54 1HE MET 54 3.007 -4.553 0.172 428 HE3 MET 54 2HE MET 54 3.709 -4.092 1.721 429 H LYS 55 H LYS 55 1.722 -7.160 -2.496 430 HA LYS 55 HA LYS 55 4.130 -8.197 -3.603 431 HB2 LYS 55 2HB LYS 55 2.219 -6.021 -4.464 432 HB3 LYS 55 1HB LYS 55 3.658 -6.431 -5.403 433 HG2 LYS 55 2HG LYS 55 2.886 -8.766 -5.558 434 HG3 LYS 55 1HG LYS 55 1.440 -8.346 -4.641 435 HD2 LYS 55 2HD LYS 55 0.989 -6.582 -6.442 436 HD3 LYS 55 1HD LYS 55 2.236 -7.390 -7.393 437 HE2 LYS 55 2HE LYS 55 0.994 -9.495 -7.295 438 HE3 LYS 55 1HE LYS 55 -0.227 -8.750 -6.264 439 HZ1 LYS 55 3HZ LYS 55 -0.340 -8.865 -8.954 440 HZ2 LYS 55 1HZ LYS 55 0.289 -7.310 -8.705 441 HZ3 LYS 55 2HZ LYS 55 -1.190 -7.751 -7.994 442 H GLY 56 H GLY 56 3.192 -4.895 -2.712 443 HA2 GLY 56 2HA GLY 56 5.867 -3.895 -3.011 444 HA3 GLY 56 1HA GLY 56 4.468 -3.000 -2.440 445 H ASN 57 H ASN 57 6.808 -5.481 -1.388 446 HA ASN 57 HA ASN 57 6.202 -5.069 1.396 447 HB2 ASN 57 2HB ASN 57 7.077 -7.218 0.702 448 HB3 ASN 57 1HB ASN 57 8.524 -6.458 0.035 449 HD21 ASN 57 1HD2 ASN 57 7.083 -5.350 3.076 450 HD22 ASN 57 2HD2 ASN 57 8.342 -5.910 4.077 451 H GLU 58 H GLU 58 7.738 -3.234 -0.885 452 HA GLU 58 HA GLU 58 9.824 -2.130 0.833 453 HB2 GLU 58 2HB GLU 58 10.144 -0.568 -1.135 454 HB3 GLU 58 1HB GLU 58 10.382 -2.279 -1.494 455 HG2 GLU 58 2HG GLU 58 8.204 -2.456 -2.494 456 HG3 GLU 58 1HG GLU 58 7.745 -0.855 -1.918 457 H ILE 59 H ILE 59 7.544 -1.854 2.162 458 HA ILE 59 HA ILE 59 5.802 0.217 1.770 459 HB ILE 59 HB ILE 59 5.865 0.448 4.321 460 HG12 ILE 59 2HG1 ILE 59 7.786 -1.883 4.039 461 HG13 ILE 59 1HG1 ILE 59 8.306 -0.240 4.427 462 HG21 ILE 59 1HG2 ILE 59 5.485 -2.184 2.874 463 HG22 ILE 59 2HG2 ILE 59 4.251 -1.034 3.392 464 HG23 ILE 59 3HG2 ILE 59 5.110 -2.003 4.588 465 HD11 ILE 59 3HD1 ILE 59 7.105 -0.241 6.485 466 HD12 ILE 59 1HD1 ILE 59 7.919 -1.803 6.417 467 HD13 ILE 59 2HD1 ILE 59 6.198 -1.687 6.042 468 H PHE 60 H PHE 60 9.198 0.430 2.416 469 HA PHE 60 HA PHE 60 9.507 2.918 3.559 470 HB2 PHE 60 2HB PHE 60 11.148 1.668 1.343 471 HB3 PHE 60 1HB PHE 60 11.654 3.052 2.310 472 HD1 PHE 60 2HD PHE 60 10.903 -0.564 2.365 473 HD2 PHE 60 1HD PHE 60 12.306 2.802 4.633 474 HE1 PHE 60 2HE PHE 60 11.712 -2.097 4.139 475 HE2 PHE 60 1HE PHE 60 13.117 1.271 6.407 476 HZ PHE 60 HZ PHE 60 12.820 -1.178 6.159 477 H ARG 61 H ARG 61 8.463 2.120 0.328 478 HA ARG 61 HA ARG 61 8.953 4.472 -1.045 479 HB2 ARG 61 2HB ARG 61 7.965 2.339 -1.966 480 HB3 ARG 61 1HB ARG 61 6.420 2.848 -1.292 481 HG2 ARG 61 2HG ARG 61 6.462 3.562 -3.596 482 HG3 ARG 61 1HG ARG 61 6.640 4.999 -2.591 483 HD2 ARG 61 2HD ARG 61 9.163 3.636 -3.457 484 HD3 ARG 61 1HD ARG 61 8.261 4.520 -4.683 485 HE ARG 61 HE ARG 61 8.453 6.204 -2.472 486 HH11 ARG 61 1HH2 ARG 61 10.526 4.569 -4.707 487 HH12 ARG 61 2HH2 ARG 61 11.776 5.766 -4.637 488 HH21 ARG 61 1HH1 ARG 61 10.088 7.778 -2.373 489 HH22 ARG 61 2HH1 ARG 61 11.528 7.583 -3.316 490 H LEU 62 H LEU 62 6.044 3.685 0.905 491 HA LEU 62 HA LEU 62 4.677 6.077 0.507 492 HB2 LEU 62 2HB LEU 62 3.357 5.515 2.389 493 HB3 LEU 62 1HB LEU 62 3.853 3.983 1.680 494 HG LEU 62 HG LEU 62 5.925 4.417 3.455 495 HD11 LEU 62 1HD1 LEU 62 4.871 5.088 5.608 496 HD12 LEU 62 2HD1 LEU 62 3.398 5.506 4.736 497 HD13 LEU 62 3HD1 LEU 62 4.881 6.407 4.440 498 HD21 LEU 62 3HD2 LEU 62 3.284 3.081 4.126 499 HD22 LEU 62 1HD2 LEU 62 4.843 2.745 4.876 500 HD23 LEU 62 2HD2 LEU 62 4.576 2.340 3.182 501 H ASP 63 H ASP 63 7.461 5.411 2.493 502 HA ASP 63 HA ASP 63 7.255 7.784 4.099 503 HB2 ASP 63 2HB ASP 63 8.537 5.658 4.687 504 HB3 ASP 63 1HB ASP 63 9.771 6.210 3.554 505 H GLU 64 H GLU 64 9.857 6.908 1.827 506 HA GLU 64 HA GLU 64 10.571 9.635 1.373 507 HB2 GLU 64 2HB GLU 64 11.303 7.160 -0.213 508 HB3 GLU 64 1HB GLU 64 12.108 8.727 -0.307 509 HG2 GLU 64 2HG GLU 64 12.774 8.569 2.035 510 HG3 GLU 64 1HG GLU 64 11.887 7.054 2.211 511 H ALA 65 H ALA 65 10.292 10.892 -0.490 512 HA ALA 65 HA ALA 65 9.067 11.795 -2.213 513 HB1 ALA 65 1HB ALA 65 8.696 8.934 -3.113 514 HB2 ALA 65 2HB ALA 65 10.193 9.833 -3.357 515 HB3 ALA 65 3HB ALA 65 8.699 10.388 -4.113 516 H LEU 66 H LEU 66 7.407 12.401 -0.666 517 HA LEU 66 HA LEU 66 5.075 10.695 -0.389 518 HB2 LEU 66 2HB LEU 66 4.176 12.871 0.739 519 HB3 LEU 66 1HB LEU 66 5.434 11.945 1.552 520 HG LEU 66 HG LEU 66 6.333 14.077 -0.368 521 HD11 LEU 66 1HD1 LEU 66 5.259 14.672 2.408 522 HD12 LEU 66 2HD1 LEU 66 4.563 15.227 0.886 523 HD13 LEU 66 3HD1 LEU 66 6.149 15.808 1.393 524 HD21 LEU 66 3HD2 LEU 66 7.363 13.524 2.421 525 HD22 LEU 66 1HD2 LEU 66 8.234 14.158 1.025 526 HD23 LEU 66 2HD2 LEU 66 7.785 12.454 1.088 527 H ARG 67 H ARG 67 4.429 14.037 -0.785 528 HA ARG 67 HA ARG 67 3.088 15.176 -2.265 529 HB2 ARG 67 2HB ARG 67 5.112 14.885 -3.678 530 HB3 ARG 67 1HB ARG 67 4.431 13.381 -4.301 531 HG2 ARG 67 2HG ARG 67 2.566 14.537 -5.285 532 HG3 ARG 67 1HG ARG 67 2.996 16.041 -4.470 533 HD2 ARG 67 2HD ARG 67 3.710 16.076 -6.833 534 HD3 ARG 67 1HD ARG 67 5.094 16.152 -5.747 535 HE ARG 67 HE ARG 67 5.775 14.092 -6.569 536 HH11 ARG 67 1HH2 ARG 67 2.446 14.682 -7.310 537 HH12 ARG 67 2HH2 ARG 67 2.281 13.282 -8.318 538 HH21 ARG 67 1HH1 ARG 67 5.565 12.256 -7.889 539 HH22 ARG 67 2HH1 ARG 67 4.046 11.910 -8.646 540 H LYS 68 H LYS 68 0.989 14.726 -1.943 541 HA LYS 68 HA LYS 68 -0.272 12.696 -3.617 542 HB2 LYS 68 2HB LYS 68 -0.477 12.647 -0.595 543 HB3 LYS 68 1HB LYS 68 -1.505 11.718 -1.686 544 HG2 LYS 68 2HG LYS 68 0.660 10.763 -2.672 545 HG3 LYS 68 1HG LYS 68 1.478 11.460 -1.274 546 HD2 LYS 68 2HD LYS 68 -0.212 10.218 0.176 547 HD3 LYS 68 1HD LYS 68 -0.694 9.353 -1.286 548 HE2 LYS 68 2HE LYS 68 1.584 8.524 -1.589 549 HE3 LYS 68 1HE LYS 68 2.136 9.459 -0.199 550 HZ1 LYS 68 3HZ LYS 68 1.264 6.904 -0.109 551 HZ2 LYS 68 1HZ LYS 68 -0.120 7.764 0.361 552 HZ3 LYS 68 2HZ LYS 68 1.332 7.959 1.221 553 H GLY 69 H GLY 69 -0.715 15.087 -4.305 554 HA2 GLY 69 2HA GLY 69 -2.615 16.590 -2.790 555 HA3 GLY 69 1HA GLY 69 -2.194 16.852 -4.480 556 H HIS 70 H HIS 70 -4.820 16.670 -2.927 557 HA HIS 70 HA HIS 70 -6.208 14.358 -3.814 558 HB2 HIS 70 2HB HIS 70 -8.249 15.663 -3.259 559 HB3 HIS 70 1HB HIS 70 -7.053 15.696 -1.963 560 HD2 HIS 70 2HD HIS 70 -8.321 18.135 -4.828 561 HE1 HIS 70 1HE HIS 70 -6.334 20.406 -1.874 562 HE2 HIS 70 2HE HIS 70 -7.681 20.537 -4.023 563 H SER 71 H SER 71 -7.544 14.032 -5.574 564 HA SER 71 HA SER 71 -8.169 16.058 -7.483 565 HB2 SER 71 2HB SER 71 -5.853 15.895 -8.126 566 HB3 SER 71 1HB SER 71 -5.929 14.136 -8.143 567 HG SER 71 HG SER 71 -6.757 15.975 -10.012 568 H GLU 72 H GLU 72 -9.781 15.393 -8.833 569 HA GLU 72 HA GLU 72 -11.183 13.017 -8.223 570 HB2 GLU 72 2HB GLU 72 -12.224 15.068 -9.177 571 HB3 GLU 72 1HB GLU 72 -11.422 14.726 -10.711 572 HG2 GLU 72 2HG GLU 72 -12.593 12.595 -10.896 573 HG3 GLU 72 1HG GLU 72 -13.322 12.826 -9.307 574 H GLY 73 H GLY 73 -9.506 11.398 -8.434 575 HA2 GLY 73 2HA GLY 73 -8.150 10.818 -10.836 576 HA3 GLY 73 1HA GLY 73 -8.445 9.674 -9.531 577 H GLY 74 H GLY 74 -10.651 8.701 -9.452 578 HA2 GLY 74 2HA GLY 74 -11.311 7.491 -11.914 579 HA3 GLY 74 1HA GLY 74 -12.281 7.418 -10.446 580 H1 HOH 201 H2 HOH 77 -8.781 17.529 -0.624 581 H2 HOH 201 H1 HOH 77 -8.290 18.555 0.377 Start of MODEL 12 1 H1 VAL 1 1H VAL 1 0.731 16.920 -6.136 2 H2 VAL 1 2H VAL 1 2.204 17.337 -6.871 3 HA VAL 1 HA VAL 1 0.230 16.974 -8.396 4 HB VAL 1 HB VAL 1 2.750 15.341 -8.824 5 HG11 VAL 1 2HG1 VAL 1 2.279 15.880 -11.228 6 HG12 VAL 1 3HG1 VAL 1 0.733 16.567 -10.729 7 HG13 VAL 1 1HG1 VAL 1 1.052 14.849 -10.493 8 HG21 VAL 1 1HG2 VAL 1 3.406 17.575 -8.243 9 HG22 VAL 1 2HG2 VAL 1 2.113 18.277 -9.218 10 HG23 VAL 1 3HG2 VAL 1 3.479 17.483 -10.003 11 H ASP 2 H ASP 2 -1.398 15.752 -7.208 12 HA ASP 2 HA ASP 2 -1.566 13.006 -8.153 13 HB2 ASP 2 2HB ASP 2 -1.876 13.508 -5.194 14 HB3 ASP 2 1HB ASP 2 -1.793 11.962 -6.037 15 H MET 3 H MET 3 -3.239 14.278 -9.324 16 HA MET 3 HA MET 3 -5.462 15.430 -8.020 17 HB2 MET 3 2HB MET 3 -4.891 15.788 -10.415 18 HB3 MET 3 1HB MET 3 -5.375 14.127 -10.753 19 HG2 MET 3 2HG MET 3 -7.280 16.010 -9.367 20 HG3 MET 3 1HG MET 3 -7.118 16.033 -11.122 21 HE1 MET 3 3HE MET 3 -9.674 15.626 -11.036 22 HE2 MET 3 1HE MET 3 -9.773 15.297 -9.301 23 HE3 MET 3 2HE MET 3 -10.462 14.161 -10.457 24 H SER 4 H SER 4 -5.053 12.197 -9.475 25 HA SER 4 HA SER 4 -7.593 11.246 -8.569 26 HB2 SER 4 2HB SER 4 -5.185 9.617 -9.397 27 HB3 SER 4 1HB SER 4 -6.864 9.089 -9.370 28 HG SER 4 HG SER 4 -5.519 10.426 -11.279 29 H ASN 5 H ASN 5 -4.299 11.116 -7.325 30 HA ASN 5 HA ASN 5 -3.439 10.411 -5.313 31 HB2 ASN 5 2HB ASN 5 -4.907 12.160 -4.443 32 HB3 ASN 5 1HB ASN 5 -6.263 11.032 -4.414 33 HD21 ASN 5 1HD2 ASN 5 -2.931 10.159 -3.497 34 HD22 ASN 5 2HD2 ASN 5 -3.282 9.887 -1.859 35 H VAL 6 H VAL 6 -6.709 9.272 -4.629 36 HA VAL 6 HA VAL 6 -5.749 6.658 -3.938 37 HB VAL 6 HB VAL 6 -8.151 6.147 -3.582 38 HG11 VAL 6 1HG1 VAL 6 -7.437 8.877 -2.481 39 HG12 VAL 6 2HG1 VAL 6 -6.705 7.383 -1.895 40 HG13 VAL 6 3HG1 VAL 6 -8.442 7.642 -1.723 41 HG21 VAL 6 3HG2 VAL 6 -8.496 8.942 -4.714 42 HG22 VAL 6 1HG2 VAL 6 -9.765 8.047 -3.880 43 HG23 VAL 6 2HG2 VAL 6 -9.116 7.443 -5.405 44 H VAL 7 H VAL 7 -5.892 4.766 -5.055 45 HA VAL 7 HA VAL 7 -7.332 4.624 -7.587 46 HB VAL 7 HB VAL 7 -5.301 3.875 -8.822 47 HG11 VAL 7 1HG1 VAL 7 -6.199 6.276 -8.800 48 HG12 VAL 7 2HG1 VAL 7 -4.522 6.074 -9.311 49 HG13 VAL 7 3HG1 VAL 7 -4.885 6.644 -7.682 50 HG21 VAL 7 3HG2 VAL 7 -3.917 4.861 -6.308 51 HG22 VAL 7 1HG2 VAL 7 -3.089 4.492 -7.821 52 HG23 VAL 7 2HG2 VAL 7 -3.912 3.211 -6.932 53 H LYS 8 H LYS 8 -6.043 3.269 -4.791 54 HA LYS 8 HA LYS 8 -7.292 0.753 -5.239 55 HB2 LYS 8 2HB LYS 8 -5.267 0.453 -6.646 56 HB3 LYS 8 1HB LYS 8 -4.268 0.737 -5.226 57 HG2 LYS 8 2HG LYS 8 -4.790 -1.311 -4.262 58 HG3 LYS 8 1HG LYS 8 -6.384 -1.384 -5.019 59 HD2 LYS 8 2HD LYS 8 -3.990 -1.497 -6.836 60 HD3 LYS 8 1HD LYS 8 -4.351 -2.922 -5.880 61 HE2 LYS 8 2HE LYS 8 -5.472 -3.095 -8.040 62 HE3 LYS 8 1HE LYS 8 -6.683 -2.900 -6.770 63 HZ1 LYS 8 3HZ LYS 8 -5.610 -0.722 -8.481 64 HZ2 LYS 8 1HZ LYS 8 -6.786 -0.544 -7.272 65 HZ3 LYS 8 2HZ LYS 8 -7.129 -1.462 -8.661 66 H THR 9 H THR 9 -7.848 -0.048 -3.315 67 HA THR 9 HA THR 9 -6.139 0.299 -0.981 68 HB THR 9 HB THR 9 -8.961 1.381 -0.918 69 HG1 THR 9 1HG THR 9 -7.925 2.828 -2.138 70 HG21 THR 9 3HG2 THR 9 -8.410 2.162 1.241 71 HG22 THR 9 1HG2 THR 9 -6.680 1.940 0.975 72 HG23 THR 9 2HG2 THR 9 -7.727 0.536 1.191 73 H TYR 10 H TYR 10 -6.074 -1.738 -0.284 74 HA TYR 10 HA TYR 10 -8.487 -3.423 -0.403 75 HB2 TYR 10 2HB TYR 10 -5.619 -4.115 0.290 76 HB3 TYR 10 1HB TYR 10 -6.943 -5.264 0.170 77 HD1 TYR 10 2HD TYR 10 -8.369 -4.955 -2.136 78 HD2 TYR 10 1HD TYR 10 -4.214 -3.964 -1.597 79 HE1 TYR 10 2HE TYR 10 -7.998 -5.164 -4.574 80 HE2 TYR 10 1HE TYR 10 -3.854 -4.182 -4.032 81 HH TYR 10 HH TYR 10 -5.683 -5.754 -6.029 82 H ASP 11 H ASP 11 -9.785 -3.006 1.315 83 HA ASP 11 HA ASP 11 -8.804 -2.213 3.875 84 HB2 ASP 11 2HB ASP 11 -11.506 -3.174 2.933 85 HB3 ASP 11 1HB ASP 11 -11.174 -2.665 4.589 86 H LEU 12 H LEU 12 -7.309 -3.803 4.451 87 HA LEU 12 HA LEU 12 -7.716 -6.561 4.551 88 HB2 LEU 12 2HB LEU 12 -5.861 -4.607 5.750 89 HB3 LEU 12 1HB LEU 12 -6.076 -6.044 6.743 90 HG LEU 12 HG LEU 12 -5.330 -7.485 5.005 91 HD11 LEU 12 1HD1 LEU 12 -6.024 -5.197 3.234 92 HD12 LEU 12 2HD1 LEU 12 -6.120 -6.928 2.926 93 HD13 LEU 12 3HD1 LEU 12 -4.582 -6.094 2.763 94 HD21 LEU 12 3HD2 LEU 12 -3.653 -4.957 5.085 95 HD22 LEU 12 1HD2 LEU 12 -3.083 -6.491 4.432 96 HD23 LEU 12 2HD2 LEU 12 -3.505 -6.364 6.139 97 H GLN 13 H GLN 13 -8.368 -7.981 6.129 98 HA GLN 13 HA GLN 13 -10.584 -7.118 7.729 99 HB2 GLN 13 2HB GLN 13 -9.099 -9.737 7.478 100 HB3 GLN 13 1HB GLN 13 -10.455 -9.517 8.587 101 HG2 GLN 13 2HG GLN 13 -11.947 -8.981 6.782 102 HG3 GLN 13 1HG GLN 13 -10.616 -8.894 5.629 103 HE21 GLN 13 1HE2 GLN 13 -10.947 -11.415 8.132 104 HE22 GLN 13 2HE2 GLN 13 -11.178 -12.698 7.036 105 H ASP 14 H ASP 14 -7.208 -7.262 8.221 106 HA ASP 14 HA ASP 14 -7.306 -7.575 11.099 107 HB2 ASP 14 2HB ASP 14 -5.043 -6.720 9.277 108 HB3 ASP 14 1HB ASP 14 -4.889 -7.123 10.988 109 H GLY 15 H GLY 15 -8.575 -5.249 9.448 110 HA2 GLY 15 2HA GLY 15 -9.200 -3.108 10.096 111 HA3 GLY 15 1HA GLY 15 -8.088 -3.231 11.457 112 H SER 16 H SER 16 -6.069 -4.134 9.234 113 HA SER 16 HA SER 16 -4.775 -1.610 8.996 114 HB2 SER 16 2HB SER 16 -4.160 -4.006 7.280 115 HB3 SER 16 1HB SER 16 -3.061 -2.760 7.865 116 HG SER 16 HG SER 16 -3.181 -3.609 9.888 117 H LYS 17 H LYS 17 -3.831 -1.441 6.443 118 HA LYS 17 HA LYS 17 -5.966 -1.503 4.505 119 HB2 LYS 17 2HB LYS 17 -6.500 0.498 5.944 120 HB3 LYS 17 1HB LYS 17 -4.973 1.203 5.417 121 HG2 LYS 17 2HG LYS 17 -5.820 0.797 3.014 122 HG3 LYS 17 1HG LYS 17 -7.404 0.546 3.748 123 HD2 LYS 17 2HD LYS 17 -5.682 3.028 4.029 124 HD3 LYS 17 1HD LYS 17 -7.154 2.892 3.068 125 HE2 LYS 17 2HE LYS 17 -6.868 2.811 6.072 126 HE3 LYS 17 1HE LYS 17 -7.867 3.889 5.097 127 HZ1 LYS 17 3HZ LYS 17 -9.386 2.358 5.852 128 HZ2 LYS 17 1HZ LYS 17 -8.301 1.057 5.766 129 HZ3 LYS 17 2HZ LYS 17 -8.973 1.697 4.342 130 H VAL 18 H VAL 18 -4.975 -1.929 2.623 131 HA VAL 18 HA VAL 18 -2.122 -1.400 2.321 132 HB VAL 18 HB VAL 18 -3.883 -2.575 0.187 133 HG11 VAL 18 1HG1 VAL 18 -1.011 -3.024 1.037 134 HG12 VAL 18 2HG1 VAL 18 -1.548 -2.109 -0.371 135 HG13 VAL 18 3HG1 VAL 18 -1.813 -3.851 -0.298 136 HG21 VAL 18 3HG2 VAL 18 -3.559 -4.796 1.159 137 HG22 VAL 18 1HG2 VAL 18 -4.440 -3.763 2.286 138 HG23 VAL 18 2HG2 VAL 18 -2.725 -4.085 2.545 139 H HIS 19 H HIS 19 -1.211 -0.148 0.689 140 HA HIS 19 HA HIS 19 -2.959 1.430 -1.056 141 HB2 HIS 19 2HB HIS 19 -2.504 3.483 -0.140 142 HB3 HIS 19 1HB HIS 19 -2.128 2.565 1.312 143 HD1 HIS 19 1HD HIS 19 -0.680 4.910 -1.053 144 HD2 HIS 19 2HD HIS 19 0.827 1.942 1.462 145 HE1 HIS 19 1HE HIS 19 1.799 5.362 -0.809 146 HE2 HIS 19 2HE HIS 19 2.727 3.564 0.724 147 H VAL 20 H VAL 20 -2.186 1.087 -3.038 148 HA VAL 20 HA VAL 20 0.644 0.380 -3.344 149 HB VAL 20 HB VAL 20 0.039 -0.901 -5.152 150 HG11 VAL 20 1HG1 VAL 20 -2.720 -0.531 -4.011 151 HG12 VAL 20 2HG1 VAL 20 -1.467 -1.405 -3.157 152 HG13 VAL 20 3HG1 VAL 20 -2.037 -1.992 -4.720 153 HG21 VAL 20 3HG2 VAL 20 -2.041 1.222 -5.722 154 HG22 VAL 20 1HG2 VAL 20 -2.000 -0.312 -6.590 155 HG23 VAL 20 2HG2 VAL 20 -0.633 0.795 -6.694 156 H PHE 21 H PHE 21 1.919 1.251 -5.063 157 HA PHE 21 HA PHE 21 1.398 4.119 -5.500 158 HB2 PHE 21 2HB PHE 21 3.910 2.475 -5.903 159 HB3 PHE 21 1HB PHE 21 3.782 4.224 -6.081 160 HD1 PHE 21 1HD PHE 21 3.436 1.424 -3.653 161 HD2 PHE 21 2HD PHE 21 3.841 5.668 -4.184 162 HE1 PHE 21 1HE PHE 21 3.797 1.694 -1.215 163 HE2 PHE 21 2HE PHE 21 4.202 5.938 -1.745 164 HZ PHE 21 HZ PHE 21 4.180 3.949 -0.263 165 H LYS 22 H LYS 22 2.984 4.536 -7.717 166 HA LYS 22 HA LYS 22 1.214 3.702 -9.834 167 HB2 LYS 22 2HB LYS 22 3.818 5.244 -9.947 168 HB3 LYS 22 1HB LYS 22 2.664 5.072 -11.270 169 HG2 LYS 22 2HG LYS 22 0.918 6.062 -9.668 170 HG3 LYS 22 1HG LYS 22 2.280 6.516 -8.643 171 HD2 LYS 22 2HD LYS 22 1.984 7.301 -11.557 172 HD3 LYS 22 1HD LYS 22 1.598 8.350 -10.193 173 HE2 LYS 22 2HE LYS 22 4.009 7.912 -9.397 174 HE3 LYS 22 1HE LYS 22 4.298 7.275 -11.016 175 HZ1 LYS 22 3HZ LYS 22 3.722 9.341 -11.978 176 HZ2 LYS 22 1HZ LYS 22 4.809 9.684 -10.721 177 HZ3 LYS 22 2HZ LYS 22 3.146 9.957 -10.504 178 H ASP 23 H ASP 23 4.125 2.537 -8.443 179 HA ASP 23 HA ASP 23 5.088 1.139 -10.773 180 HB2 ASP 23 2HB ASP 23 5.788 0.926 -7.838 181 HB3 ASP 23 1HB ASP 23 6.603 0.024 -9.117 182 H GLY 24 H GLY 24 2.472 0.676 -8.794 183 HA2 GLY 24 2HA GLY 24 0.922 -1.065 -8.880 184 HA3 GLY 24 1HA GLY 24 2.107 -2.055 -9.728 185 H LYS 25 H LYS 25 3.829 -0.872 -7.253 186 HA LYS 25 HA LYS 25 3.694 -3.335 -5.743 187 HB2 LYS 25 2HB LYS 25 5.233 -0.746 -5.441 188 HB3 LYS 25 1HB LYS 25 5.380 -2.063 -4.287 189 HG2 LYS 25 2HG LYS 25 5.702 -2.680 -7.207 190 HG3 LYS 25 1HG LYS 25 7.034 -1.898 -6.364 191 HD2 LYS 25 2HD LYS 25 7.318 -3.709 -4.878 192 HD3 LYS 25 1HD LYS 25 5.722 -4.370 -5.231 193 HE2 LYS 25 2HE LYS 25 6.445 -4.951 -7.504 194 HE3 LYS 25 1HE LYS 25 8.029 -4.238 -7.197 195 HZ1 LYS 25 3HZ LYS 25 8.493 -6.374 -6.671 196 HZ2 LYS 25 1HZ LYS 25 6.896 -6.746 -6.231 197 HZ3 LYS 25 2HZ LYS 25 7.894 -5.890 -5.155 198 H MET 26 H MET 26 2.907 -3.609 -3.661 199 HA MET 26 HA MET 26 0.768 -1.831 -2.865 200 HB2 MET 26 2HB MET 26 1.746 -4.540 -2.037 201 HB3 MET 26 1HB MET 26 0.693 -3.650 -0.936 202 HG2 MET 26 2HG MET 26 -1.059 -3.547 -2.521 203 HG3 MET 26 1HG MET 26 -0.004 -4.013 -3.854 204 HE1 MET 26 3HE MET 26 -0.586 -6.597 -4.799 205 HE2 MET 26 1HE MET 26 -1.814 -5.359 -4.507 206 HE3 MET 26 2HE MET 26 -2.104 -7.024 -4.012 207 H GLY 27 H GLY 27 0.707 -1.954 -0.170 208 HA2 GLY 27 2HA GLY 27 3.114 -1.342 1.192 209 HA3 GLY 27 1HA GLY 27 2.350 0.157 0.667 210 H MET 28 H MET 28 2.665 -1.681 3.289 211 HA MET 28 HA MET 28 -0.068 -1.919 4.179 212 HB2 MET 28 2HB MET 28 2.524 -2.061 5.734 213 HB3 MET 28 1HB MET 28 0.938 -2.505 6.354 214 HG2 MET 28 2HG MET 28 2.344 -3.803 4.002 215 HG3 MET 28 1HG MET 28 2.218 -4.484 5.617 216 HE1 MET 28 3HE MET 28 -1.444 -5.247 6.137 217 HE2 MET 28 1HE MET 28 -1.168 -3.501 6.140 218 HE3 MET 28 2HE MET 28 0.028 -4.590 6.845 219 H GLU 29 H GLU 29 -1.192 -0.629 5.549 220 HA GLU 29 HA GLU 29 0.058 1.681 6.827 221 HB2 GLU 29 2HB GLU 29 -2.032 1.888 4.660 222 HB3 GLU 29 1HB GLU 29 -1.965 3.090 5.943 223 HG2 GLU 29 2HG GLU 29 0.411 2.345 4.219 224 HG3 GLU 29 1HG GLU 29 -0.657 3.702 3.881 225 H ASN 30 H ASN 30 -0.469 1.087 8.856 226 HA ASN 30 HA ASN 30 -2.966 -0.197 9.480 227 HB2 ASN 30 2HB ASN 30 -2.157 -0.333 11.709 228 HB3 ASN 30 1HB ASN 30 -0.754 -0.566 10.670 229 HD21 ASN 30 1HD2 ASN 30 -0.273 0.288 13.273 230 HD22 ASN 30 2HD2 ASN 30 0.207 1.923 13.268 231 H LYS 31 H LYS 31 -4.187 0.714 11.485 232 HA LYS 31 HA LYS 31 -5.630 2.954 10.701 233 HB2 LYS 31 2HB LYS 31 -6.353 1.230 12.366 234 HB3 LYS 31 1HB LYS 31 -5.269 1.969 13.542 235 HG2 LYS 31 2HG LYS 31 -7.183 3.832 12.177 236 HG3 LYS 31 1HG LYS 31 -7.898 2.669 13.291 237 HD2 LYS 31 2HD LYS 31 -6.277 3.427 15.048 238 HD3 LYS 31 1HD LYS 31 -5.719 4.678 13.939 239 HE2 LYS 31 2HE LYS 31 -8.014 5.586 13.811 240 HE3 LYS 31 1HE LYS 31 -8.561 4.346 14.939 241 HZ1 LYS 31 3HZ LYS 31 -7.471 5.308 16.679 242 HZ2 LYS 31 1HZ LYS 31 -7.855 6.696 15.782 243 HZ3 LYS 31 2HZ LYS 31 -6.291 6.039 15.699 244 H PHE 32 H PHE 32 -2.740 2.734 12.699 245 HA PHE 32 HA PHE 32 -2.851 5.509 13.512 246 HB2 PHE 32 2HB PHE 32 -0.648 3.443 13.724 247 HB3 PHE 32 1HB PHE 32 -0.598 5.051 14.451 248 HD1 PHE 32 2HD PHE 32 -2.413 1.806 14.440 249 HD2 PHE 32 1HD PHE 32 -1.803 5.552 16.455 250 HE1 PHE 32 2HE PHE 32 -3.694 0.966 16.390 251 HE2 PHE 32 1HE PHE 32 -3.086 4.711 18.405 252 HZ PHE 32 HZ PHE 32 -4.031 2.419 18.372 253 H GLY 33 H GLY 33 -2.550 4.415 10.580 254 HA2 GLY 33 2HA GLY 33 -1.664 5.267 8.634 255 HA3 GLY 33 1HA GLY 33 -1.128 6.658 9.577 256 H LYS 34 H LYS 34 0.040 3.951 11.076 257 HA LYS 34 HA LYS 34 2.734 4.445 10.117 258 HB2 LYS 34 2HB LYS 34 1.607 2.565 12.201 259 HB3 LYS 34 1HB LYS 34 3.324 2.678 11.812 260 HG2 LYS 34 2HG LYS 34 3.435 4.954 12.523 261 HG3 LYS 34 1HG LYS 34 1.678 5.093 12.589 262 HD2 LYS 34 2HD LYS 34 2.704 4.827 14.849 263 HD3 LYS 34 1HD LYS 34 1.583 3.524 14.454 264 HE2 LYS 34 2HE LYS 34 3.887 2.881 15.463 265 HE3 LYS 34 1HE LYS 34 3.321 1.984 14.054 266 HZ1 LYS 34 3HZ LYS 34 5.713 3.111 14.190 267 HZ2 LYS 34 1HZ LYS 34 4.843 4.405 13.524 268 HZ3 LYS 34 2HZ LYS 34 4.872 2.905 12.728 269 H SER 35 H SER 35 4.041 3.003 9.020 270 HA SER 35 HA SER 35 2.672 1.156 7.274 271 HB2 SER 35 2HB SER 35 5.074 0.747 6.469 272 HB3 SER 35 1HB SER 35 4.421 2.367 6.249 273 HG SER 35 HG SER 35 6.271 2.797 7.243 274 H MET 36 H MET 36 2.624 -1.026 7.370 275 HA MET 36 HA MET 36 3.842 -2.313 9.736 276 HB2 MET 36 2HB MET 36 1.260 -2.397 8.857 277 HB3 MET 36 1HB MET 36 1.903 -3.813 8.029 278 HG2 MET 36 2HG MET 36 2.072 -3.267 11.012 279 HG3 MET 36 1HG MET 36 1.000 -4.431 10.229 280 HE1 MET 36 3HE MET 36 3.149 -4.957 12.591 281 HE2 MET 36 1HE MET 36 3.671 -6.579 12.114 282 HE3 MET 36 2HE MET 36 1.975 -6.121 11.985 283 H ASN 37 H ASN 37 5.740 -3.269 9.351 284 HA ASN 37 HA ASN 37 6.744 -3.832 6.770 285 HB2 ASN 37 2HB ASN 37 8.269 -3.449 8.599 286 HB3 ASN 37 1HB ASN 37 7.616 -4.822 9.490 287 HD21 ASN 37 1HD2 ASN 37 7.738 -5.511 6.149 288 HD22 ASN 37 2HD2 ASN 37 9.198 -6.387 6.145 289 H MET 38 H MET 38 5.204 -5.097 5.677 290 HA MET 38 HA MET 38 4.807 -7.852 6.669 291 HB2 MET 38 2HB MET 38 2.758 -6.647 6.123 292 HB3 MET 38 1HB MET 38 3.357 -6.326 4.490 293 HG2 MET 38 2HG MET 38 3.374 -8.698 3.984 294 HG3 MET 38 1HG MET 38 3.024 -9.095 5.653 295 HE1 MET 38 3HE MET 38 0.815 -8.034 6.893 296 HE2 MET 38 1HE MET 38 0.909 -9.737 6.425 297 HE3 MET 38 2HE MET 38 -0.581 -8.830 6.169 298 HA PRO 39 HA PRO 39 7.830 -8.788 3.430 299 HB2 PRO 39 2HB PRO 39 8.078 -11.462 3.825 300 HB3 PRO 39 1HB PRO 39 8.761 -10.274 4.959 301 HG2 PRO 39 2HG PRO 39 6.225 -11.843 5.166 302 HG3 PRO 39 1HG PRO 39 7.437 -11.494 6.414 303 HD2 PRO 39 2HD PRO 39 5.082 -10.088 6.166 304 HD3 PRO 39 1HD PRO 39 6.555 -9.397 6.867 305 H GLU 40 H GLU 40 7.937 -10.091 1.445 306 HA GLU 40 HA GLU 40 5.429 -10.176 0.098 307 HB2 GLU 40 2HB GLU 40 6.728 -11.055 -1.802 308 HB3 GLU 40 1HB GLU 40 7.516 -9.648 -1.081 309 HG2 GLU 40 2HG GLU 40 8.851 -11.331 0.334 310 HG3 GLU 40 1HG GLU 40 8.262 -12.562 -0.786 311 H GLY 41 H GLY 41 4.004 -11.773 -0.085 312 HA2 GLY 41 2HA GLY 41 3.676 -14.181 -0.594 313 HA3 GLY 41 1HA GLY 41 4.815 -14.522 0.704 314 H LYS 42 H LYS 42 3.580 -12.204 2.262 315 HA LYS 42 HA LYS 42 1.692 -13.795 3.708 316 HB2 LYS 42 2HB LYS 42 2.839 -11.051 3.958 317 HB3 LYS 42 1HB LYS 42 1.305 -11.341 4.769 318 HG2 LYS 42 2HG LYS 42 3.556 -13.319 5.115 319 HG3 LYS 42 1HG LYS 42 3.573 -11.820 6.037 320 HD2 LYS 42 2HD LYS 42 1.552 -12.326 7.145 321 HD3 LYS 42 1HD LYS 42 1.121 -13.573 5.974 322 HE2 LYS 42 2HE LYS 42 3.443 -13.716 7.922 323 HE3 LYS 42 1HE LYS 42 1.913 -14.578 8.090 324 HZ1 LYS 42 3HZ LYS 42 2.798 -16.181 6.870 325 HZ2 LYS 42 1HZ LYS 42 4.185 -15.261 6.542 326 HZ3 LYS 42 2HZ LYS 42 2.818 -15.121 5.542 327 H VAL 43 H VAL 43 -0.089 -14.313 2.660 328 HA VAL 43 HA VAL 43 -1.468 -12.671 0.808 329 HB VAL 43 HB VAL 43 -2.665 -14.958 2.375 330 HG11 VAL 43 1HG1 VAL 43 -4.226 -13.720 0.970 331 HG12 VAL 43 2HG1 VAL 43 -3.892 -15.281 0.222 332 HG13 VAL 43 3HG1 VAL 43 -3.122 -13.821 -0.399 333 HG21 VAL 43 3HG2 VAL 43 -0.730 -14.961 0.048 334 HG22 VAL 43 1HG2 VAL 43 -1.797 -16.326 0.380 335 HG23 VAL 43 2HG2 VAL 43 -0.596 -15.835 1.573 336 H MET 44 H MET 44 -2.802 -11.032 1.133 337 HA MET 44 HA MET 44 -3.943 -10.587 3.833 338 HB2 MET 44 2HB MET 44 -3.839 -8.568 1.602 339 HB3 MET 44 1HB MET 44 -4.016 -8.286 3.308 340 HG2 MET 44 2HG MET 44 -1.725 -8.894 3.729 341 HG3 MET 44 1HG MET 44 -1.514 -9.456 2.073 342 HE1 MET 44 3HE MET 44 -0.804 -7.040 -0.087 343 HE2 MET 44 1HE MET 44 -2.491 -6.549 0.054 344 HE3 MET 44 2HE MET 44 -2.053 -8.250 0.165 345 H GLU 45 H GLU 45 -6.202 -10.020 3.967 346 HA GLU 45 HA GLU 45 -7.804 -10.677 1.557 347 HB2 GLU 45 2HB GLU 45 -7.634 -12.643 3.099 348 HB3 GLU 45 1HB GLU 45 -8.418 -11.669 4.346 349 HG2 GLU 45 2HG GLU 45 -10.377 -11.358 2.908 350 HG3 GLU 45 1HG GLU 45 -9.591 -12.265 1.613 351 H THR 46 H THR 46 -9.200 -9.131 1.085 352 HA THR 46 HA THR 46 -9.666 -6.904 2.775 353 HB THR 46 HB THR 46 -11.511 -6.395 1.102 354 HG1 THR 46 1HG THR 46 -11.550 -7.748 -0.705 355 HG21 THR 46 3HG2 THR 46 -8.805 -7.053 -0.075 356 HG22 THR 46 1HG2 THR 46 -9.132 -5.624 0.903 357 HG23 THR 46 2HG2 THR 46 -9.939 -5.836 -0.651 358 H ARG 47 H ARG 47 -12.122 -6.228 3.074 359 HA ARG 47 HA ARG 47 -13.174 -7.948 5.078 360 HB2 ARG 47 2HB ARG 47 -14.506 -5.629 3.655 361 HB3 ARG 47 1HB ARG 47 -15.039 -6.360 5.171 362 HG2 ARG 47 2HG ARG 47 -12.817 -5.779 6.173 363 HG3 ARG 47 1HG ARG 47 -12.414 -4.925 4.682 364 HD2 ARG 47 2HD ARG 47 -14.286 -3.407 4.988 365 HD3 ARG 47 1HD ARG 47 -14.838 -4.314 6.393 366 HE ARG 47 HE ARG 47 -12.198 -3.512 6.889 367 HH11 ARG 47 1HH2 ARG 47 -15.331 -2.147 6.348 368 HH12 ARG 47 2HH2 ARG 47 -15.037 -0.740 7.315 369 HH21 ARG 47 1HH1 ARG 47 -11.805 -1.669 8.158 370 HH22 ARG 47 2HH1 ARG 47 -13.041 -0.469 8.340 371 H ASP 48 H ASP 48 -13.927 -7.412 1.681 372 HA ASP 48 HA ASP 48 -16.328 -8.983 1.688 373 HB2 ASP 48 2HB ASP 48 -16.147 -8.835 -0.770 374 HB3 ASP 48 1HB ASP 48 -15.954 -7.256 -0.006 375 H GLY 49 H GLY 49 -12.945 -9.562 0.783 376 HA2 GLY 49 2HA GLY 49 -12.169 -11.875 1.475 377 HA3 GLY 49 1HA GLY 49 -13.533 -12.465 0.527 378 H THR 50 H THR 50 -11.359 -9.770 -0.256 379 HA THR 50 HA THR 50 -10.822 -10.965 -2.867 380 HB THR 50 HB THR 50 -9.735 -8.363 -1.785 381 HG1 THR 50 1HG THR 50 -12.274 -9.079 -2.703 382 HG21 THR 50 3HG2 THR 50 -8.713 -9.162 -3.850 383 HG22 THR 50 1HG2 THR 50 -9.760 -7.788 -4.210 384 HG23 THR 50 2HG2 THR 50 -10.303 -9.427 -4.565 385 H LYS 51 H LYS 51 -8.926 -11.858 -3.490 386 HA LYS 51 HA LYS 51 -6.893 -12.316 -1.424 387 HB2 LYS 51 2HB LYS 51 -7.661 -14.255 -2.680 388 HB3 LYS 51 1HB LYS 51 -7.241 -13.467 -4.204 389 HG2 LYS 51 2HG LYS 51 -4.904 -13.520 -3.693 390 HG3 LYS 51 1HG LYS 51 -5.212 -13.977 -2.018 391 HD2 LYS 51 2HD LYS 51 -6.129 -16.132 -2.749 392 HD3 LYS 51 1HD LYS 51 -5.884 -15.679 -4.437 393 HE2 LYS 51 2HE LYS 51 -3.488 -15.614 -4.146 394 HE3 LYS 51 1HE LYS 51 -3.645 -15.820 -2.402 395 HZ1 LYS 51 3HZ LYS 51 -4.865 -17.840 -4.125 396 HZ2 LYS 51 1HZ LYS 51 -4.132 -18.013 -2.606 397 HZ3 LYS 51 2HZ LYS 51 -3.171 -17.840 -3.997 398 H ILE 52 H ILE 52 -5.207 -11.023 -1.267 399 HA ILE 52 HA ILE 52 -3.966 -9.912 -3.711 400 HB ILE 52 HB ILE 52 -3.544 -7.801 -2.298 401 HG12 ILE 52 2HG1 ILE 52 -4.748 -9.278 -0.292 402 HG13 ILE 52 1HG1 ILE 52 -4.570 -7.526 -0.278 403 HG21 ILE 52 1HG2 ILE 52 -4.985 -7.706 -4.214 404 HG22 ILE 52 2HG2 ILE 52 -5.816 -6.878 -2.894 405 HG23 ILE 52 3HG2 ILE 52 -6.293 -8.516 -3.348 406 HD11 ILE 52 3HD1 ILE 52 -6.969 -8.940 -1.445 407 HD12 ILE 52 1HD1 ILE 52 -6.782 -7.217 -1.115 408 HD13 ILE 52 2HD1 ILE 52 -6.890 -8.365 0.219 409 H ILE 53 H ILE 53 -1.871 -10.352 -3.745 410 HA ILE 53 HA ILE 53 -0.542 -11.367 -1.339 411 HB ILE 53 HB ILE 53 0.693 -11.058 -4.075 412 HG12 ILE 53 2HG1 ILE 53 -1.378 -12.236 -4.448 413 HG13 ILE 53 1HG1 ILE 53 -0.076 -13.427 -4.460 414 HG21 ILE 53 1HG2 ILE 53 2.201 -11.632 -2.231 415 HG22 ILE 53 2HG2 ILE 53 2.000 -13.024 -3.295 416 HG23 ILE 53 3HG2 ILE 53 1.143 -12.960 -1.756 417 HD11 ILE 53 3HD1 ILE 53 -0.592 -13.763 -1.961 418 HD12 ILE 53 1HD1 ILE 53 -1.776 -14.391 -3.107 419 HD13 ILE 53 2HD1 ILE 53 -2.079 -12.869 -2.269 420 H MET 54 H MET 54 1.260 -10.422 -0.407 421 HA MET 54 HA MET 54 1.399 -7.562 -0.616 422 HB2 MET 54 2HB MET 54 1.763 -8.854 1.513 423 HB3 MET 54 1HB MET 54 3.307 -9.397 0.849 424 HG2 MET 54 2HG MET 54 3.751 -7.443 2.209 425 HG3 MET 54 1HG MET 54 3.928 -6.976 0.528 426 HE1 MET 54 3HE MET 54 2.451 -3.683 1.228 427 HE2 MET 54 1HE MET 54 3.174 -4.657 -0.059 428 HE3 MET 54 2HE MET 54 3.910 -4.618 1.541 429 H LYS 55 H LYS 55 2.010 -7.134 -2.759 430 HA LYS 55 HA LYS 55 4.464 -8.211 -3.842 431 HB2 LYS 55 2HB LYS 55 2.843 -5.879 -4.878 432 HB3 LYS 55 1HB LYS 55 4.005 -6.857 -5.775 433 HG2 LYS 55 2HG LYS 55 1.388 -7.829 -4.606 434 HG3 LYS 55 1HG LYS 55 1.714 -7.545 -6.312 435 HD2 LYS 55 2HD LYS 55 3.692 -9.225 -5.962 436 HD3 LYS 55 1HD LYS 55 2.801 -9.710 -4.518 437 HE2 LYS 55 2HE LYS 55 0.755 -9.910 -6.113 438 HE3 LYS 55 1HE LYS 55 1.956 -9.909 -7.405 439 HZ1 LYS 55 3HZ LYS 55 2.385 -11.692 -5.125 440 HZ2 LYS 55 1HZ LYS 55 2.800 -11.901 -6.755 441 HZ3 LYS 55 2HZ LYS 55 1.192 -12.121 -6.256 442 H GLY 56 H GLY 56 3.352 -5.047 -2.686 443 HA2 GLY 56 2HA GLY 56 6.008 -3.893 -2.959 444 HA3 GLY 56 1HA GLY 56 4.550 -3.070 -2.434 445 H ASN 57 H ASN 57 6.879 -5.543 -1.315 446 HA ASN 57 HA ASN 57 6.193 -5.151 1.452 447 HB2 ASN 57 2HB ASN 57 7.144 -7.278 0.766 448 HB3 ASN 57 1HB ASN 57 8.589 -6.471 0.150 449 HD21 ASN 57 1HD2 ASN 57 7.111 -5.319 3.134 450 HD22 ASN 57 2HD2 ASN 57 8.323 -5.904 4.178 451 H GLU 58 H GLU 58 8.025 -3.456 -0.833 452 HA GLU 58 HA GLU 58 9.941 -2.290 0.984 453 HB2 GLU 58 2HB GLU 58 9.108 -1.432 -1.800 454 HB3 GLU 58 1HB GLU 58 10.516 -0.845 -0.914 455 HG2 GLU 58 2HG GLU 58 11.451 -3.112 -0.853 456 HG3 GLU 58 1HG GLU 58 10.027 -3.737 -1.683 457 H ILE 59 H ILE 59 7.670 -1.957 2.281 458 HA ILE 59 HA ILE 59 5.950 0.121 1.811 459 HB ILE 59 HB ILE 59 5.996 0.434 4.357 460 HG12 ILE 59 2HG1 ILE 59 7.841 -1.965 4.174 461 HG13 ILE 59 1HG1 ILE 59 8.413 -0.329 4.512 462 HG21 ILE 59 1HG2 ILE 59 5.657 -2.353 3.205 463 HG22 ILE 59 2HG2 ILE 59 4.431 -1.085 3.204 464 HG23 ILE 59 3HG2 ILE 59 4.973 -1.788 4.729 465 HD11 ILE 59 3HD1 ILE 59 6.232 -1.625 6.155 466 HD12 ILE 59 1HD1 ILE 59 7.214 -0.217 6.561 467 HD13 ILE 59 2HD1 ILE 59 7.939 -1.825 6.547 468 H PHE 60 H PHE 60 9.334 0.298 2.344 469 HA PHE 60 HA PHE 60 9.752 2.778 3.474 470 HB2 PHE 60 2HB PHE 60 11.548 1.191 2.804 471 HB3 PHE 60 1HB PHE 60 11.273 1.633 1.119 472 HD1 PHE 60 1HD PHE 60 12.518 2.794 4.388 473 HD2 PHE 60 2HD PHE 60 11.905 3.828 0.264 474 HE1 PHE 60 1HE PHE 60 13.989 4.772 4.665 475 HE2 PHE 60 2HE PHE 60 13.376 5.805 0.542 476 HZ PHE 60 HZ PHE 60 14.418 6.278 2.742 477 H ARG 61 H ARG 61 8.523 1.995 0.307 478 HA ARG 61 HA ARG 61 8.977 4.336 -1.099 479 HB2 ARG 61 2HB ARG 61 7.887 2.207 -1.941 480 HB3 ARG 61 1HB ARG 61 6.397 2.767 -1.192 481 HG2 ARG 61 2HG ARG 61 6.138 3.597 -3.358 482 HG3 ARG 61 1HG ARG 61 6.872 4.983 -2.557 483 HD2 ARG 61 2HD ARG 61 9.072 4.365 -3.414 484 HD3 ARG 61 1HD ARG 61 8.422 2.881 -4.104 485 HE ARG 61 HE ARG 61 8.204 5.540 -5.215 486 HH11 ARG 61 1HH2 ARG 61 6.845 2.364 -5.011 487 HH12 ARG 61 2HH2 ARG 61 6.038 2.461 -6.541 488 HH21 ARG 61 1HH1 ARG 61 7.148 5.674 -7.223 489 HH22 ARG 61 2HH1 ARG 61 6.210 4.334 -7.792 490 H LEU 62 H LEU 62 6.188 3.595 1.031 491 HA LEU 62 HA LEU 62 4.789 5.964 0.752 492 HB2 LEU 62 2HB LEU 62 3.870 4.149 2.053 493 HB3 LEU 62 1HB LEU 62 5.197 4.241 3.207 494 HG LEU 62 HG LEU 62 4.452 6.409 3.993 495 HD11 LEU 62 1HD1 LEU 62 2.584 6.232 1.625 496 HD12 LEU 62 2HD1 LEU 62 3.682 7.541 2.064 497 HD13 LEU 62 3HD1 LEU 62 2.212 7.276 2.999 498 HD21 LEU 62 3HD2 LEU 62 2.137 5.810 4.767 499 HD22 LEU 62 1HD2 LEU 62 3.321 4.527 5.014 500 HD23 LEU 62 2HD2 LEU 62 2.182 4.428 3.671 501 H ASP 63 H ASP 63 7.385 5.255 3.093 502 HA ASP 63 HA ASP 63 7.489 7.780 4.304 503 HB2 ASP 63 2HB ASP 63 8.644 5.797 5.196 504 HB3 ASP 63 1HB ASP 63 9.759 5.832 3.833 505 H GLU 64 H GLU 64 9.142 9.449 4.059 506 HA GLU 64 HA GLU 64 10.712 9.657 1.687 507 HB2 GLU 64 2HB GLU 64 9.464 11.525 0.633 508 HB3 GLU 64 1HB GLU 64 8.558 10.013 0.609 509 HG2 GLU 64 2HG GLU 64 6.965 11.595 1.329 510 HG3 GLU 64 1HG GLU 64 7.501 10.846 2.829 511 H ALA 65 H ALA 65 11.082 12.286 1.392 512 HA ALA 65 HA ALA 65 11.111 13.808 3.792 513 HB1 ALA 65 1HB ALA 65 13.644 12.341 3.047 514 HB2 ALA 65 2HB ALA 65 12.797 12.319 4.594 515 HB3 ALA 65 3HB ALA 65 13.635 13.779 4.066 516 H LEU 66 H LEU 66 10.393 14.233 1.092 517 HA LEU 66 HA LEU 66 10.556 15.864 -0.512 518 HB2 LEU 66 2HB LEU 66 11.074 17.220 1.658 519 HB3 LEU 66 1HB LEU 66 12.740 17.187 1.087 520 HG LEU 66 HG LEU 66 11.667 18.014 -1.195 521 HD11 LEU 66 1HD1 LEU 66 9.604 18.850 0.870 522 HD12 LEU 66 2HD1 LEU 66 9.325 17.824 -0.535 523 HD13 LEU 66 3HD1 LEU 66 9.723 19.525 -0.753 524 HD21 LEU 66 3HD2 LEU 66 11.965 20.358 -0.446 525 HD22 LEU 66 1HD2 LEU 66 13.258 19.318 0.154 526 HD23 LEU 66 2HD2 LEU 66 11.953 19.815 1.233 527 H ARG 67 H ARG 67 12.985 13.781 0.306 528 HA ARG 67 HA ARG 67 15.084 14.685 -1.423 529 HB2 ARG 67 2HB ARG 67 14.496 12.005 -0.152 530 HB3 ARG 67 1HB ARG 67 15.937 12.332 -1.116 531 HG2 ARG 67 2HG ARG 67 16.616 14.100 0.415 532 HG3 ARG 67 1HG ARG 67 15.125 13.915 1.339 533 HD2 ARG 67 2HD ARG 67 17.001 12.749 2.441 534 HD3 ARG 67 1HD ARG 67 15.760 11.612 1.923 535 HE ARG 67 HE ARG 67 17.313 10.677 0.481 536 HH11 ARG 67 1HH2 ARG 67 18.289 13.854 1.445 537 HH12 ARG 67 2HH2 ARG 67 19.836 13.763 0.674 538 HH21 ARG 67 1HH1 ARG 67 19.341 10.550 -0.534 539 HH22 ARG 67 2HH1 ARG 67 20.433 11.893 -0.446 540 H LYS 68 H LYS 68 12.716 12.023 -1.680 541 HA LYS 68 HA LYS 68 13.377 11.422 -4.390 542 HB2 LYS 68 2HB LYS 68 10.746 10.764 -3.074 543 HB3 LYS 68 1HB LYS 68 11.617 9.852 -4.308 544 HG2 LYS 68 2HG LYS 68 12.458 10.246 -1.421 545 HG3 LYS 68 1HG LYS 68 11.909 8.743 -2.163 546 HD2 LYS 68 2HD LYS 68 13.869 9.029 -3.804 547 HD3 LYS 68 1HD LYS 68 14.475 10.250 -2.684 548 HE2 LYS 68 2HE LYS 68 15.462 8.032 -2.209 549 HE3 LYS 68 1HE LYS 68 14.475 8.598 -0.861 550 HZ1 LYS 68 3HZ LYS 68 12.743 7.166 -1.434 551 HZ2 LYS 68 1HZ LYS 68 14.138 6.220 -1.622 552 HZ3 LYS 68 2HZ LYS 68 13.365 6.870 -2.988 553 H GLY 69 H GLY 69 10.703 13.211 -2.869 554 HA2 GLY 69 2HA GLY 69 9.392 14.922 -3.696 555 HA3 GLY 69 1HA GLY 69 10.472 15.006 -5.085 556 H HIS 70 H HIS 70 8.236 15.405 -6.069 557 HA HIS 70 HA HIS 70 6.395 13.269 -6.361 558 HB2 HIS 70 2HB HIS 70 6.899 15.656 -8.155 559 HB3 HIS 70 1HB HIS 70 5.489 14.598 -8.236 560 HD2 HIS 70 2HD HIS 70 7.048 17.209 -5.687 561 HE1 HIS 70 1HE HIS 70 2.994 16.576 -4.689 562 HE2 HIS 70 2HE HIS 70 5.069 17.938 -4.148 563 H SER 71 H SER 71 9.498 13.732 -7.619 564 HA SER 71 HA SER 71 9.312 12.627 -10.192 565 HB2 SER 71 2HB SER 71 11.339 13.736 -9.319 566 HB3 SER 71 1HB SER 71 11.591 12.389 -8.213 567 HG SER 71 HG SER 71 11.418 12.179 -11.043 568 H GLU 72 H GLU 72 9.636 10.520 -10.967 569 HA GLU 72 HA GLU 72 8.361 8.458 -9.532 570 HB2 GLU 72 2HB GLU 72 8.574 8.566 -12.020 571 HB3 GLU 72 1HB GLU 72 10.280 8.152 -11.852 572 HG2 GLU 72 2HG GLU 72 9.701 6.042 -10.771 573 HG3 GLU 72 1HG GLU 72 7.991 6.462 -10.805 574 H GLY 73 H GLY 73 11.758 9.319 -9.913 575 HA2 GLY 73 2HA GLY 73 13.644 8.635 -8.786 576 HA3 GLY 73 1HA GLY 73 12.562 8.079 -7.512 577 H GLY 74 H GLY 74 14.363 7.175 -10.350 578 HA2 GLY 74 2HA GLY 74 14.690 4.495 -9.556 579 HA3 GLY 74 1HA GLY 74 13.400 4.565 -10.752 580 H1 HOH 201 H2 HOH 77 3.640 13.440 -4.155 581 H2 HOH 201 H1 HOH 77 4.092 12.979 -5.524 Start of MODEL 13 1 H1 VAL 1 1H VAL 1 0.524 13.436 -14.108 2 H2 VAL 1 2H VAL 1 2.085 12.819 -13.851 3 HA VAL 1 HA VAL 1 0.274 11.490 -12.810 4 HB VAL 1 HB VAL 1 2.280 12.744 -10.911 5 HG11 VAL 1 2HG1 VAL 1 2.182 10.466 -9.866 6 HG12 VAL 1 3HG1 VAL 1 0.857 10.066 -10.959 7 HG13 VAL 1 1HG1 VAL 1 0.656 11.344 -9.761 8 HG21 VAL 1 1HG2 VAL 1 3.718 10.812 -11.653 9 HG22 VAL 1 2HG2 VAL 1 3.434 12.011 -12.914 10 HG23 VAL 1 3HG2 VAL 1 2.540 10.491 -12.925 11 H ASP 2 H ASP 2 1.108 14.138 -10.583 12 HA ASP 2 HA ASP 2 -0.185 15.388 -9.154 13 HB2 ASP 2 2HB ASP 2 -2.389 15.032 -11.189 14 HB3 ASP 2 1HB ASP 2 -2.171 16.363 -10.053 15 H MET 3 H MET 3 -2.583 15.394 -8.159 16 HA MET 3 HA MET 3 -2.811 12.952 -6.730 17 HB2 MET 3 2HB MET 3 -3.501 15.254 -5.920 18 HB3 MET 3 1HB MET 3 -4.928 15.095 -6.944 19 HG2 MET 3 2HG MET 3 -5.567 14.341 -4.755 20 HG3 MET 3 1HG MET 3 -5.399 12.898 -5.757 21 HE1 MET 3 3HE MET 3 -5.393 13.107 -2.538 22 HE2 MET 3 1HE MET 3 -4.210 11.841 -2.185 23 HE3 MET 3 2HE MET 3 -5.396 11.610 -3.467 24 H SER 4 H SER 4 -4.328 14.202 -9.614 25 HA SER 4 HA SER 4 -6.631 12.691 -9.807 26 HB2 SER 4 2HB SER 4 -4.692 13.334 -12.040 27 HB3 SER 4 1HB SER 4 -6.377 12.863 -12.244 28 HG SER 4 HG SER 4 -5.374 15.159 -10.902 29 H ASN 5 H ASN 5 -3.439 11.570 -9.611 30 HA ASN 5 HA ASN 5 -3.392 9.286 -11.189 31 HB2 ASN 5 2HB ASN 5 -1.483 10.168 -9.837 32 HB3 ASN 5 1HB ASN 5 -2.263 9.526 -8.392 33 HD21 ASN 5 1HD2 ASN 5 -1.083 7.677 -7.837 34 HD22 ASN 5 2HD2 ASN 5 -0.663 6.442 -8.924 35 H VAL 6 H VAL 6 -4.216 7.256 -11.040 36 HA VAL 6 HA VAL 6 -6.555 6.825 -9.493 37 HB VAL 6 HB VAL 6 -4.842 4.736 -10.853 38 HG11 VAL 6 1HG1 VAL 6 -7.780 4.868 -10.106 39 HG12 VAL 6 2HG1 VAL 6 -6.563 3.811 -9.387 40 HG13 VAL 6 3HG1 VAL 6 -7.047 3.583 -11.067 41 HG21 VAL 6 3HG2 VAL 6 -5.383 6.586 -12.397 42 HG22 VAL 6 1HG2 VAL 6 -7.087 6.455 -11.961 43 HG23 VAL 6 2HG2 VAL 6 -6.290 5.134 -12.818 44 H VAL 7 H VAL 7 -6.446 6.732 -7.329 45 HA VAL 7 HA VAL 7 -4.185 5.632 -5.930 46 HB VAL 7 HB VAL 7 -5.528 6.068 -3.908 47 HG11 VAL 7 1HG1 VAL 7 -5.807 8.522 -4.265 48 HG12 VAL 7 2HG1 VAL 7 -5.595 8.267 -5.997 49 HG13 VAL 7 3HG1 VAL 7 -4.269 7.921 -4.886 50 HG21 VAL 7 3HG2 VAL 7 -7.734 5.459 -4.692 51 HG22 VAL 7 1HG2 VAL 7 -7.680 6.692 -5.953 52 HG23 VAL 7 2HG2 VAL 7 -7.777 7.168 -4.257 53 H LYS 8 H LYS 8 -5.347 4.241 -3.845 54 HA LYS 8 HA LYS 8 -7.053 2.125 -4.724 55 HB2 LYS 8 2HB LYS 8 -4.861 1.588 -5.897 56 HB3 LYS 8 1HB LYS 8 -4.166 1.345 -4.297 57 HG2 LYS 8 2HG LYS 8 -4.835 -0.832 -4.754 58 HG3 LYS 8 1HG LYS 8 -6.290 -0.233 -3.968 59 HD2 LYS 8 2HD LYS 8 -7.069 -1.296 -5.947 60 HD3 LYS 8 1HD LYS 8 -7.127 0.424 -6.303 61 HE2 LYS 8 2HE LYS 8 -4.589 -1.001 -7.013 62 HE3 LYS 8 1HE LYS 8 -6.008 -1.340 -8.000 63 HZ1 LYS 8 3HZ LYS 8 -6.205 1.267 -7.896 64 HZ2 LYS 8 1HZ LYS 8 -5.250 0.488 -9.060 65 HZ3 LYS 8 2HZ LYS 8 -4.525 1.151 -7.675 66 H THR 9 H THR 9 -7.808 0.939 -3.011 67 HA THR 9 HA THR 9 -6.398 0.945 -0.468 68 HB THR 9 HB THR 9 -9.165 2.149 -0.617 69 HG1 THR 9 1HG THR 9 -6.598 3.263 -0.699 70 HG21 THR 9 3HG2 THR 9 -8.661 2.783 1.715 71 HG22 THR 9 1HG2 THR 9 -7.098 1.975 1.593 72 HG23 THR 9 2HG2 THR 9 -8.586 1.035 1.501 73 H TYR 10 H TYR 10 -6.467 -1.172 -0.019 74 HA TYR 10 HA TYR 10 -8.979 -2.671 -0.484 75 HB2 TYR 10 2HB TYR 10 -6.219 -3.762 0.122 76 HB3 TYR 10 1HB TYR 10 -7.641 -4.689 -0.326 77 HD1 TYR 10 2HD TYR 10 -8.800 -3.351 -2.616 78 HD2 TYR 10 1HD TYR 10 -4.641 -3.831 -1.610 79 HE1 TYR 10 2HE TYR 10 -8.192 -3.122 -4.997 80 HE2 TYR 10 1HE TYR 10 -4.047 -3.604 -3.999 81 HH TYR 10 HH TYR 10 -4.943 -3.737 -6.134 82 H ASP 11 H ASP 11 -10.252 -2.815 1.229 83 HA ASP 11 HA ASP 11 -9.351 -2.259 3.881 84 HB2 ASP 11 2HB ASP 11 -11.953 -3.289 2.757 85 HB3 ASP 11 1HB ASP 11 -11.697 -3.014 4.480 86 H LEU 12 H LEU 12 -7.871 -3.699 4.640 87 HA LEU 12 HA LEU 12 -8.073 -6.533 4.330 88 HB2 LEU 12 2HB LEU 12 -6.251 -4.601 5.544 89 HB3 LEU 12 1HB LEU 12 -6.448 -6.001 6.591 90 HG LEU 12 HG LEU 12 -5.741 -7.505 4.834 91 HD11 LEU 12 1HD1 LEU 12 -6.426 -6.877 2.748 92 HD12 LEU 12 2HD1 LEU 12 -4.838 -6.127 2.662 93 HD13 LEU 12 3HD1 LEU 12 -6.250 -5.155 3.083 94 HD21 LEU 12 3HD2 LEU 12 -3.446 -6.409 4.278 95 HD22 LEU 12 1HD2 LEU 12 -3.858 -6.657 5.973 96 HD23 LEU 12 2HD2 LEU 12 -4.017 -5.056 5.246 97 H GLN 13 H GLN 13 -8.266 -8.044 6.177 98 HA GLN 13 HA GLN 13 -10.678 -7.471 7.661 99 HB2 GLN 13 2HB GLN 13 -8.851 -9.868 7.476 100 HB3 GLN 13 1HB GLN 13 -10.220 -9.813 8.590 101 HG2 GLN 13 2HG GLN 13 -10.545 -9.212 5.645 102 HG3 GLN 13 1HG GLN 13 -10.641 -10.858 6.273 103 HE21 GLN 13 1HE2 GLN 13 -12.562 -11.476 7.380 104 HE22 GLN 13 2HE2 GLN 13 -13.880 -10.423 7.614 105 H ASP 14 H ASP 14 -7.304 -7.202 8.202 106 HA ASP 14 HA ASP 14 -7.455 -7.383 11.098 107 HB2 ASP 14 2HB ASP 14 -5.212 -6.481 9.272 108 HB3 ASP 14 1HB ASP 14 -5.073 -6.744 11.013 109 H GLY 15 H GLY 15 -8.886 -5.274 9.329 110 HA2 GLY 15 2HA GLY 15 -9.669 -3.147 9.821 111 HA3 GLY 15 1HA GLY 15 -8.583 -3.107 11.208 112 H SER 16 H SER 16 -6.437 -3.971 9.111 113 HA SER 16 HA SER 16 -5.420 -1.322 8.676 114 HB2 SER 16 2HB SER 16 -3.537 -2.459 7.601 115 HB3 SER 16 1HB SER 16 -3.938 -3.244 9.130 116 HG SER 16 HG SER 16 -3.658 -4.744 7.415 117 H LYS 17 H LYS 17 -4.485 -0.862 6.377 118 HA LYS 17 HA LYS 17 -6.312 -1.671 4.224 119 HB2 LYS 17 2HB LYS 17 -5.851 1.222 4.999 120 HB3 LYS 17 1HB LYS 17 -6.733 0.665 3.576 121 HG2 LYS 17 2HG LYS 17 -8.286 -0.579 5.114 122 HG3 LYS 17 1HG LYS 17 -7.472 0.193 6.473 123 HD2 LYS 17 2HD LYS 17 -8.009 2.424 5.419 124 HD3 LYS 17 1HD LYS 17 -9.003 1.559 4.246 125 HE2 LYS 17 2HE LYS 17 -10.348 0.613 6.095 126 HE3 LYS 17 1HE LYS 17 -9.369 1.508 7.257 127 HZ1 LYS 17 3HZ LYS 17 -10.432 3.401 6.803 128 HZ2 LYS 17 1HZ LYS 17 -11.626 2.426 6.094 129 HZ3 LYS 17 2HZ LYS 17 -10.421 3.131 5.125 130 H VAL 18 H VAL 18 -5.132 -2.143 2.503 131 HA VAL 18 HA VAL 18 -2.342 -1.387 2.381 132 HB VAL 18 HB VAL 18 -3.704 -2.650 0.036 133 HG11 VAL 18 1HG1 VAL 18 -1.629 -3.997 0.029 134 HG12 VAL 18 2HG1 VAL 18 -1.105 -3.168 1.496 135 HG13 VAL 18 3HG1 VAL 18 -1.294 -2.266 -0.006 136 HG21 VAL 18 3HG2 VAL 18 -4.757 -3.795 1.943 137 HG22 VAL 18 1HG2 VAL 18 -3.166 -4.122 2.629 138 HG23 VAL 18 2HG2 VAL 18 -3.645 -4.868 1.100 139 H HIS 19 H HIS 19 -1.379 -0.281 0.578 140 HA HIS 19 HA HIS 19 -3.137 1.357 -1.112 141 HB2 HIS 19 2HB HIS 19 -2.868 3.088 0.386 142 HB3 HIS 19 1HB HIS 19 -1.461 2.348 1.135 143 HD1 HIS 19 1HD HIS 19 -2.438 4.475 -1.843 144 HD2 HIS 19 2HD HIS 19 1.004 3.267 0.176 145 HE1 HIS 19 1HE HIS 19 -0.531 5.844 -2.798 146 HE2 HIS 19 2HE HIS 19 1.576 5.119 -1.576 147 H VAL 20 H VAL 20 -2.438 0.987 -3.133 148 HA VAL 20 HA VAL 20 0.342 0.158 -3.525 149 HB VAL 20 HB VAL 20 -0.297 -0.947 -5.444 150 HG11 VAL 20 1HG1 VAL 20 -1.639 -2.062 -3.861 151 HG12 VAL 20 2HG1 VAL 20 -2.730 -1.755 -5.195 152 HG13 VAL 20 3HG1 VAL 20 -2.795 -0.749 -3.755 153 HG21 VAL 20 3HG2 VAL 20 -2.372 1.220 -5.784 154 HG22 VAL 20 1HG2 VAL 20 -2.384 -0.246 -6.767 155 HG23 VAL 20 2HG2 VAL 20 -0.997 0.841 -6.823 156 H PHE 21 H PHE 21 1.682 1.053 -5.144 157 HA PHE 21 HA PHE 21 1.286 3.951 -5.479 158 HB2 PHE 21 2HB PHE 21 3.689 2.138 -5.778 159 HB3 PHE 21 1HB PHE 21 3.706 3.846 -6.215 160 HD1 PHE 21 2HD PHE 21 3.287 1.451 -3.420 161 HD2 PHE 21 1HD PHE 21 3.721 5.576 -4.539 162 HE1 PHE 21 2HE PHE 21 3.665 2.055 -1.045 163 HE2 PHE 21 1HE PHE 21 4.099 6.180 -2.164 164 HZ PHE 21 HZ PHE 21 4.071 4.420 -0.417 165 H LYS 22 H LYS 22 2.851 4.407 -7.699 166 HA LYS 22 HA LYS 22 1.028 3.717 -9.820 167 HB2 LYS 22 2HB LYS 22 2.685 5.006 -11.230 168 HB3 LYS 22 1HB LYS 22 1.993 5.909 -9.880 169 HG2 LYS 22 2HG LYS 22 3.965 5.663 -8.568 170 HG3 LYS 22 1HG LYS 22 4.611 4.419 -9.640 171 HD2 LYS 22 2HD LYS 22 5.695 6.645 -9.982 172 HD3 LYS 22 1HD LYS 22 4.889 6.047 -11.432 173 HE2 LYS 22 2HE LYS 22 4.477 8.515 -10.756 174 HE3 LYS 22 1HE LYS 22 3.074 7.536 -11.184 175 HZ1 LYS 22 3HZ LYS 22 2.341 7.490 -9.064 176 HZ2 LYS 22 1HZ LYS 22 3.218 8.937 -8.949 177 HZ3 LYS 22 2HZ LYS 22 3.902 7.485 -8.393 178 H ASP 23 H ASP 23 3.878 2.356 -8.503 179 HA ASP 23 HA ASP 23 4.720 0.995 -10.925 180 HB2 ASP 23 2HB ASP 23 6.274 1.723 -9.060 181 HB3 ASP 23 1HB ASP 23 5.586 0.422 -8.088 182 H GLY 24 H GLY 24 2.126 0.596 -8.992 183 HA2 GLY 24 2HA GLY 24 0.566 -1.134 -9.008 184 HA3 GLY 24 1HA GLY 24 1.746 -2.162 -9.816 185 H LYS 25 H LYS 25 3.667 -1.179 -7.565 186 HA LYS 25 HA LYS 25 3.456 -3.489 -5.913 187 HB2 LYS 25 2HB LYS 25 4.995 -0.894 -5.724 188 HB3 LYS 25 1HB LYS 25 5.089 -2.111 -4.456 189 HG2 LYS 25 2HG LYS 25 5.754 -3.794 -6.190 190 HG3 LYS 25 1HG LYS 25 5.791 -2.491 -7.379 191 HD2 LYS 25 2HD LYS 25 7.437 -1.293 -5.883 192 HD3 LYS 25 1HD LYS 25 7.505 -2.753 -4.895 193 HE2 LYS 25 2HE LYS 25 8.342 -4.053 -6.749 194 HE3 LYS 25 1HE LYS 25 8.077 -2.718 -7.871 195 HZ1 LYS 25 3HZ LYS 25 10.408 -3.200 -6.702 196 HZ2 LYS 25 1HZ LYS 25 9.740 -2.141 -5.559 197 HZ3 LYS 25 2HZ LYS 25 9.911 -1.644 -7.174 198 H MET 26 H MET 26 2.691 -3.709 -3.827 199 HA MET 26 HA MET 26 0.499 -2.003 -3.098 200 HB2 MET 26 2HB MET 26 1.556 -4.643 -2.262 201 HB3 MET 26 1HB MET 26 0.706 -3.743 -1.006 202 HG2 MET 26 2HG MET 26 -1.285 -3.645 -2.265 203 HG3 MET 26 1HG MET 26 -0.466 -4.073 -3.768 204 HE1 MET 26 3HE MET 26 -2.106 -5.659 -4.396 205 HE2 MET 26 1HE MET 26 -1.963 -7.378 -3.999 206 HE3 MET 26 2HE MET 26 -0.601 -6.520 -4.713 207 H GLY 27 H GLY 27 0.410 -1.878 -0.452 208 HA2 GLY 27 2HA GLY 27 2.869 -0.848 0.692 209 HA3 GLY 27 1HA GLY 27 1.661 0.387 0.348 210 H MET 28 H MET 28 2.761 -1.760 2.640 211 HA MET 28 HA MET 28 0.207 -2.315 3.905 212 HB2 MET 28 2HB MET 28 2.250 -3.860 3.872 213 HB3 MET 28 1HB MET 28 2.947 -2.780 5.075 214 HG2 MET 28 2HG MET 28 1.844 -4.567 6.255 215 HG3 MET 28 1HG MET 28 0.886 -3.108 6.463 216 HE1 MET 28 3HE MET 28 -1.871 -3.545 6.356 217 HE2 MET 28 1HE MET 28 -0.761 -4.476 7.372 218 HE3 MET 28 2HE MET 28 -2.041 -5.293 6.486 219 H GLU 29 H GLU 29 -0.512 -0.147 4.293 220 HA GLU 29 HA GLU 29 0.968 1.339 6.385 221 HB2 GLU 29 2HB GLU 29 0.373 2.551 4.279 222 HB3 GLU 29 1HB GLU 29 -1.330 2.276 4.651 223 HG2 GLU 29 2HG GLU 29 -1.080 3.487 6.775 224 HG3 GLU 29 1HG GLU 29 0.633 3.737 6.441 225 H ASN 30 H ASN 30 0.332 0.565 8.332 226 HA ASN 30 HA ASN 30 -2.223 -0.506 8.901 227 HB2 ASN 30 2HB ASN 30 -1.529 -0.234 11.294 228 HB3 ASN 30 1HB ASN 30 -0.351 -1.089 10.299 229 HD21 ASN 30 1HD2 ASN 30 -1.093 2.322 11.247 230 HD22 ASN 30 2HD2 ASN 30 0.539 2.765 11.444 231 H LYS 31 H LYS 31 -3.800 0.373 10.424 232 HA LYS 31 HA LYS 31 -4.677 2.969 9.645 233 HB2 LYS 31 2HB LYS 31 -6.539 2.586 11.114 234 HB3 LYS 31 1HB LYS 31 -6.164 1.059 10.316 235 HG2 LYS 31 2HG LYS 31 -6.186 0.191 12.445 236 HG3 LYS 31 1HG LYS 31 -4.563 0.863 12.551 237 HD2 LYS 31 2HD LYS 31 -5.566 1.755 14.466 238 HD3 LYS 31 1HD LYS 31 -5.815 3.058 13.308 239 HE2 LYS 31 2HE LYS 31 -7.891 2.570 14.551 240 HE3 LYS 31 1HE LYS 31 -8.085 2.215 12.834 241 HZ1 LYS 31 3HZ LYS 31 -7.072 -0.011 14.327 242 HZ2 LYS 31 1HZ LYS 31 -8.383 0.064 13.254 243 HZ3 LYS 31 2HZ LYS 31 -8.594 0.501 14.881 244 H PHE 32 H PHE 32 -2.388 1.968 11.907 245 HA PHE 32 HA PHE 32 -2.871 4.028 13.876 246 HB2 PHE 32 2HB PHE 32 -1.720 1.713 14.198 247 HB3 PHE 32 1HB PHE 32 -0.280 2.517 13.577 248 HD1 PHE 32 2HD PHE 32 -2.836 2.564 16.265 249 HD2 PHE 32 1HD PHE 32 0.929 4.117 14.900 250 HE1 PHE 32 2HE PHE 32 -2.439 3.565 18.500 251 HE2 PHE 32 1HE PHE 32 1.327 5.118 17.134 252 HZ PHE 32 HZ PHE 32 -0.358 4.842 18.934 253 H GLY 33 H GLY 33 -2.095 4.435 10.842 254 HA2 GLY 33 2HA GLY 33 -1.078 6.137 9.667 255 HA3 GLY 33 1HA GLY 33 -0.832 6.952 11.210 256 H LYS 34 H LYS 34 0.369 3.734 10.484 257 HA LYS 34 HA LYS 34 3.120 4.759 10.163 258 HB2 LYS 34 2HB LYS 34 2.201 2.723 12.204 259 HB3 LYS 34 1HB LYS 34 3.889 2.951 11.742 260 HG2 LYS 34 2HG LYS 34 3.655 5.381 12.360 261 HG3 LYS 34 1HG LYS 34 2.049 5.011 12.991 262 HD2 LYS 34 2HD LYS 34 3.093 3.301 14.498 263 HD3 LYS 34 1HD LYS 34 4.678 3.834 13.938 264 HE2 LYS 34 2HE LYS 34 2.646 5.717 15.158 265 HE3 LYS 34 1HE LYS 34 3.887 4.897 16.107 266 HZ1 LYS 34 3HZ LYS 34 5.095 6.032 13.850 267 HZ2 LYS 34 1HZ LYS 34 5.333 6.429 15.483 268 HZ3 LYS 34 2HZ LYS 34 4.134 7.226 14.583 269 H SER 35 H SER 35 4.605 3.109 9.348 270 HA SER 35 HA SER 35 3.277 1.399 7.378 271 HB2 SER 35 2HB SER 35 6.244 1.801 7.727 272 HB3 SER 35 1HB SER 35 5.375 1.293 6.284 273 HG SER 35 HG SER 35 5.474 3.362 5.857 274 H MET 36 H MET 36 2.862 -0.665 7.823 275 HA MET 36 HA MET 36 4.337 -2.025 9.976 276 HB2 MET 36 2HB MET 36 1.714 -1.941 9.607 277 HB3 MET 36 1HB MET 36 2.035 -3.267 8.492 278 HG2 MET 36 2HG MET 36 2.756 -3.158 11.435 279 HG3 MET 36 1HG MET 36 1.541 -4.192 10.681 280 HE1 MET 36 3HE MET 36 4.179 -4.835 12.563 281 HE2 MET 36 1HE MET 36 4.602 -6.421 11.906 282 HE3 MET 36 2HE MET 36 2.914 -6.001 12.188 283 H ASN 37 H ASN 37 6.121 -3.077 9.361 284 HA ASN 37 HA ASN 37 6.698 -3.836 6.692 285 HB2 ASN 37 2HB ASN 37 8.495 -3.425 8.261 286 HB3 ASN 37 1HB ASN 37 7.923 -4.719 9.314 287 HD21 ASN 37 1HD2 ASN 37 7.486 -5.621 6.067 288 HD22 ASN 37 2HD2 ASN 37 8.900 -6.553 5.886 289 H MET 38 H MET 38 5.413 -5.263 5.671 290 HA MET 38 HA MET 38 4.683 -7.771 7.057 291 HB2 MET 38 2HB MET 38 2.727 -6.661 6.308 292 HB3 MET 38 1HB MET 38 3.432 -6.319 4.725 293 HG2 MET 38 2HG MET 38 3.305 -8.606 4.077 294 HG3 MET 38 1HG MET 38 3.068 -9.141 5.727 295 HE1 MET 38 3HE MET 38 -0.514 -8.787 6.531 296 HE2 MET 38 1HE MET 38 0.746 -7.678 7.092 297 HE3 MET 38 2HE MET 38 1.101 -9.394 6.907 298 HA PRO 39 HA PRO 39 7.927 -9.709 4.536 299 HB2 PRO 39 2HB PRO 39 6.040 -12.041 4.783 300 HB3 PRO 39 1HB PRO 39 7.803 -11.990 5.004 301 HG2 PRO 39 2HG PRO 39 6.152 -12.062 7.094 302 HG3 PRO 39 1HG PRO 39 7.644 -11.104 7.129 303 HD2 PRO 39 2HD PRO 39 4.818 -10.164 6.905 304 HD3 PRO 39 1HD PRO 39 6.233 -9.341 7.589 305 H GLU 40 H GLU 40 8.164 -10.130 2.341 306 HA GLU 40 HA GLU 40 5.985 -9.410 0.623 307 HB2 GLU 40 2HB GLU 40 8.427 -8.911 0.188 308 HB3 GLU 40 1HB GLU 40 8.638 -10.626 -0.171 309 HG2 GLU 40 2HG GLU 40 6.828 -10.435 -1.884 310 HG3 GLU 40 1HG GLU 40 6.792 -8.695 -1.598 311 H GLY 41 H GLY 41 4.462 -11.076 1.262 312 HA2 GLY 41 2HA GLY 41 4.027 -13.072 -0.531 313 HA3 GLY 41 1HA GLY 41 5.057 -13.842 0.673 314 H LYS 42 H LYS 42 3.675 -11.822 2.652 315 HA LYS 42 HA LYS 42 1.889 -13.676 3.763 316 HB2 LYS 42 2HB LYS 42 2.911 -11.154 4.506 317 HB3 LYS 42 1HB LYS 42 1.175 -10.909 4.442 318 HG2 LYS 42 2HG LYS 42 1.516 -11.632 6.649 319 HG3 LYS 42 1HG LYS 42 1.040 -13.118 5.834 320 HD2 LYS 42 2HD LYS 42 3.602 -13.441 5.451 321 HD3 LYS 42 1HD LYS 42 3.774 -12.232 6.723 322 HE2 LYS 42 2HE LYS 42 2.425 -13.621 8.245 323 HE3 LYS 42 1HE LYS 42 2.229 -14.829 6.975 324 HZ1 LYS 42 3HZ LYS 42 4.774 -13.984 8.245 325 HZ2 LYS 42 1HZ LYS 42 4.673 -15.031 6.914 326 HZ3 LYS 42 2HZ LYS 42 4.005 -15.489 8.409 327 H VAL 43 H VAL 43 -0.162 -14.181 3.338 328 HA VAL 43 HA VAL 43 -1.477 -12.942 1.067 329 HB VAL 43 HB VAL 43 -2.589 -15.084 2.881 330 HG11 VAL 43 1HG1 VAL 43 -3.860 -15.692 0.893 331 HG12 VAL 43 2HG1 VAL 43 -3.006 -14.479 -0.061 332 HG13 VAL 43 3HG1 VAL 43 -4.102 -13.978 1.226 333 HG21 VAL 43 3HG2 VAL 43 -0.708 -15.323 0.516 334 HG22 VAL 43 1HG2 VAL 43 -1.588 -16.679 1.220 335 HG23 VAL 43 2HG2 VAL 43 -0.381 -15.818 2.175 336 H MET 44 H MET 44 -2.604 -11.110 1.325 337 HA MET 44 HA MET 44 -3.945 -10.584 3.907 338 HB2 MET 44 2HB MET 44 -3.603 -8.738 1.542 339 HB3 MET 44 1HB MET 44 -4.147 -8.300 3.150 340 HG2 MET 44 2HG MET 44 -1.959 -8.796 4.067 341 HG3 MET 44 1HG MET 44 -1.412 -9.443 2.518 342 HE1 MET 44 3HE MET 44 -1.413 -8.329 0.459 343 HE2 MET 44 1HE MET 44 -0.889 -6.660 0.209 344 HE3 MET 44 2HE MET 44 -2.601 -7.037 0.324 345 H GLU 45 H GLU 45 -6.151 -10.601 4.058 346 HA GLU 45 HA GLU 45 -7.694 -11.110 1.564 347 HB2 GLU 45 2HB GLU 45 -7.537 -13.051 3.136 348 HB3 GLU 45 1HB GLU 45 -8.351 -12.069 4.358 349 HG2 GLU 45 2HG GLU 45 -10.288 -11.793 2.878 350 HG3 GLU 45 1HG GLU 45 -9.476 -12.724 1.617 351 H THR 46 H THR 46 -9.082 -9.563 1.040 352 HA THR 46 HA THR 46 -9.674 -7.414 2.854 353 HB THR 46 HB THR 46 -10.940 -6.467 1.028 354 HG1 THR 46 1HG THR 46 -12.040 -8.179 0.231 355 HG21 THR 46 3HG2 THR 46 -8.443 -6.470 0.922 356 HG22 THR 46 1HG2 THR 46 -9.207 -6.396 -0.665 357 HG23 THR 46 2HG2 THR 46 -8.526 -7.915 -0.082 358 H ARG 47 H ARG 47 -12.104 -6.672 2.869 359 HA ARG 47 HA ARG 47 -13.526 -8.574 4.439 360 HB2 ARG 47 2HB ARG 47 -14.525 -6.014 3.161 361 HB3 ARG 47 1HB ARG 47 -15.316 -6.901 4.467 362 HG2 ARG 47 2HG ARG 47 -13.549 -6.430 5.994 363 HG3 ARG 47 1HG ARG 47 -12.480 -5.879 4.703 364 HD2 ARG 47 2HD ARG 47 -13.432 -3.975 5.966 365 HD3 ARG 47 1HD ARG 47 -13.941 -3.958 4.280 366 HE ARG 47 HE ARG 47 -15.881 -5.364 5.742 367 HH11 ARG 47 1HH2 ARG 47 -14.515 -2.193 5.485 368 HH12 ARG 47 2HH2 ARG 47 -15.966 -1.380 5.968 369 HH21 ARG 47 1HH1 ARG 47 -17.786 -4.303 6.376 370 HH22 ARG 47 2HH1 ARG 47 -17.818 -2.574 6.473 371 H ASP 48 H ASP 48 -13.766 -7.481 1.089 372 HA ASP 48 HA ASP 48 -16.165 -8.923 0.496 373 HB2 ASP 48 2HB ASP 48 -14.007 -7.834 -1.328 374 HB3 ASP 48 1HB ASP 48 -15.573 -8.450 -1.863 375 H GLY 49 H GLY 49 -13.073 -9.935 1.183 376 HA2 GLY 49 2HA GLY 49 -12.308 -12.143 1.255 377 HA3 GLY 49 1HA GLY 49 -13.616 -12.615 0.172 378 H THR 50 H THR 50 -11.413 -9.935 -0.455 379 HA THR 50 HA THR 50 -10.575 -11.231 -2.948 380 HB THR 50 HB THR 50 -9.804 -8.485 -1.954 381 HG1 THR 50 1HG THR 50 -11.913 -8.981 -3.731 382 HG21 THR 50 3HG2 THR 50 -10.011 -9.727 -4.707 383 HG22 THR 50 1HG2 THR 50 -8.515 -9.372 -3.844 384 HG23 THR 50 2HG2 THR 50 -9.560 -8.055 -4.373 385 H LYS 51 H LYS 51 -8.834 -12.487 -2.935 386 HA LYS 51 HA LYS 51 -6.889 -12.370 -0.803 387 HB2 LYS 51 2HB LYS 51 -7.570 -14.513 -1.835 388 HB3 LYS 51 1HB LYS 51 -6.871 -13.981 -3.368 389 HG2 LYS 51 2HG LYS 51 -4.665 -13.966 -2.478 390 HG3 LYS 51 1HG LYS 51 -5.251 -14.066 -0.817 391 HD2 LYS 51 2HD LYS 51 -4.424 -16.255 -1.500 392 HD3 LYS 51 1HD LYS 51 -6.176 -16.332 -1.324 393 HE2 LYS 51 2HE LYS 51 -6.523 -16.281 -3.673 394 HE3 LYS 51 1HE LYS 51 -4.870 -15.751 -3.986 395 HZ1 LYS 51 3HZ LYS 51 -5.855 -18.370 -3.814 396 HZ2 LYS 51 1HZ LYS 51 -4.760 -18.138 -2.539 397 HZ3 LYS 51 2HZ LYS 51 -4.268 -17.858 -4.142 398 H ILE 52 H ILE 52 -5.482 -10.733 -0.783 399 HA ILE 52 HA ILE 52 -4.050 -10.069 -3.299 400 HB ILE 52 HB ILE 52 -3.780 -7.755 -2.009 401 HG12 ILE 52 2HG1 ILE 52 -6.511 -8.626 -1.042 402 HG13 ILE 52 1HG1 ILE 52 -5.091 -8.751 -0.030 403 HG21 ILE 52 1HG2 ILE 52 -5.732 -6.906 -3.192 404 HG22 ILE 52 2HG2 ILE 52 -6.379 -8.540 -3.344 405 HG23 ILE 52 3HG2 ILE 52 -4.901 -8.092 -4.200 406 HD11 ILE 52 3HD1 ILE 52 -6.208 -6.245 -1.285 407 HD12 ILE 52 1HD1 ILE 52 -4.670 -6.305 -0.430 408 HD13 ILE 52 2HD1 ILE 52 -6.167 -6.632 0.435 409 H ILE 53 H ILE 53 -1.969 -10.466 -3.223 410 HA ILE 53 HA ILE 53 -0.679 -11.157 -0.699 411 HB ILE 53 HB ILE 53 0.606 -11.129 -3.429 412 HG12 ILE 53 2HG1 ILE 53 -1.448 -12.364 -3.705 413 HG13 ILE 53 1HG1 ILE 53 -0.135 -13.534 -3.564 414 HG21 ILE 53 1HG2 ILE 53 2.095 -11.484 -1.523 415 HG22 ILE 53 2HG2 ILE 53 1.909 -12.993 -2.416 416 HG23 ILE 53 3HG2 ILE 53 1.038 -12.752 -0.903 417 HD11 ILE 53 3HD1 ILE 53 -0.695 -13.587 -1.048 418 HD12 ILE 53 1HD1 ILE 53 -1.840 -14.367 -2.137 419 HD13 ILE 53 2HD1 ILE 53 -2.191 -12.767 -1.488 420 H MET 54 H MET 54 1.097 -10.140 0.164 421 HA MET 54 HA MET 54 1.284 -7.313 -0.257 422 HB2 MET 54 2HB MET 54 1.639 -8.481 1.951 423 HB3 MET 54 1HB MET 54 3.177 -9.072 1.318 424 HG2 MET 54 2HG MET 54 3.745 -7.085 2.497 425 HG3 MET 54 1HG MET 54 3.720 -6.611 0.811 426 HE1 MET 54 3HE MET 54 3.598 -4.062 1.794 427 HE2 MET 54 1HE MET 54 2.033 -3.418 1.279 428 HE3 MET 54 2HE MET 54 2.930 -4.503 0.224 429 H LYS 55 H LYS 55 1.863 -7.177 -2.503 430 HA LYS 55 HA LYS 55 4.340 -8.296 -3.461 431 HB2 LYS 55 2HB LYS 55 2.784 -6.010 -4.687 432 HB3 LYS 55 1HB LYS 55 3.909 -7.103 -5.496 433 HG2 LYS 55 2HG LYS 55 1.252 -7.879 -4.271 434 HG3 LYS 55 1HG LYS 55 1.587 -7.729 -5.993 435 HD2 LYS 55 2HD LYS 55 3.481 -9.452 -5.562 436 HD3 LYS 55 1HD LYS 55 2.638 -9.782 -4.047 437 HE2 LYS 55 2HE LYS 55 0.520 -10.060 -5.513 438 HE3 LYS 55 1HE LYS 55 1.641 -10.166 -6.870 439 HZ1 LYS 55 3HZ LYS 55 1.868 -12.295 -6.351 440 HZ2 LYS 55 1HZ LYS 55 1.018 -12.116 -4.894 441 HZ3 LYS 55 2HZ LYS 55 2.688 -11.813 -4.945 442 H GLY 56 H GLY 56 3.218 -5.006 -2.777 443 HA2 GLY 56 2HA GLY 56 5.815 -3.843 -3.060 444 HA3 GLY 56 1HA GLY 56 4.364 -3.041 -2.475 445 H ASN 57 H ASN 57 6.603 -5.611 -1.361 446 HA ASN 57 HA ASN 57 6.106 -5.041 1.402 447 HB2 ASN 57 2HB ASN 57 6.866 -7.253 0.737 448 HB3 ASN 57 1HB ASN 57 8.347 -6.575 0.059 449 HD21 ASN 57 1HD2 ASN 57 6.899 -5.430 3.101 450 HD22 ASN 57 2HD2 ASN 57 8.154 -5.994 4.102 451 H GLU 58 H GLU 58 7.683 -3.340 -0.941 452 HA GLU 58 HA GLU 58 9.892 -2.347 0.678 453 HB2 GLU 58 2HB GLU 58 8.867 -1.483 -2.038 454 HB3 GLU 58 1HB GLU 58 10.353 -0.915 -1.274 455 HG2 GLU 58 2HG GLU 58 11.214 -3.227 -1.223 456 HG3 GLU 58 1HG GLU 58 9.731 -3.795 -1.988 457 H ILE 59 H ILE 59 7.579 -1.934 2.043 458 HA ILE 59 HA ILE 59 6.067 0.318 1.677 459 HB ILE 59 HB ILE 59 6.053 0.490 4.202 460 HG12 ILE 59 2HG1 ILE 59 7.837 -1.954 4.002 461 HG13 ILE 59 1HG1 ILE 59 8.442 -0.344 4.404 462 HG21 ILE 59 1HG2 ILE 59 4.436 -0.918 3.073 463 HG22 ILE 59 2HG2 ILE 59 5.044 -1.801 4.475 464 HG23 ILE 59 3HG2 ILE 59 5.635 -2.195 2.860 465 HD11 ILE 59 3HD1 ILE 59 6.199 -1.669 5.941 466 HD12 ILE 59 1HD1 ILE 59 7.138 -0.251 6.406 467 HD13 ILE 59 2HD1 ILE 59 7.895 -1.845 6.392 468 H PHE 60 H PHE 60 9.446 0.180 2.096 469 HA PHE 60 HA PHE 60 10.125 2.497 3.425 470 HB2 PHE 60 2HB PHE 60 11.724 0.814 2.479 471 HB3 PHE 60 1HB PHE 60 11.451 1.520 0.887 472 HD1 PHE 60 1HD PHE 60 12.896 2.066 4.233 473 HD2 PHE 60 2HD PHE 60 12.268 3.751 0.331 474 HE1 PHE 60 1HE PHE 60 14.563 3.834 4.728 475 HE2 PHE 60 2HE PHE 60 13.935 5.519 0.827 476 HZ PHE 60 HZ PHE 60 15.083 5.561 3.026 477 H ARG 61 H ARG 61 8.715 2.134 0.252 478 HA ARG 61 HA ARG 61 9.293 4.673 -0.819 479 HB2 ARG 61 2HB ARG 61 8.336 2.762 -2.104 480 HB3 ARG 61 1HB ARG 61 6.801 3.016 -1.273 481 HG2 ARG 61 2HG ARG 61 6.568 5.223 -2.210 482 HG3 ARG 61 1HG ARG 61 8.209 5.180 -2.856 483 HD2 ARG 61 2HD ARG 61 6.078 3.194 -3.671 484 HD3 ARG 61 1HD ARG 61 6.356 4.703 -4.537 485 HE ARG 61 HE ARG 61 8.797 3.268 -4.235 486 HH11 ARG 61 1HH2 ARG 61 5.786 3.302 -5.941 487 HH12 ARG 61 2HH2 ARG 61 6.411 2.498 -7.341 488 HH21 ARG 61 1HH1 ARG 61 9.624 2.213 -6.070 489 HH22 ARG 61 2HH1 ARG 61 8.585 1.882 -7.414 490 H LEU 62 H LEU 62 6.448 3.544 1.013 491 HA LEU 62 HA LEU 62 5.049 5.967 1.052 492 HB2 LEU 62 2HB LEU 62 4.440 3.521 1.898 493 HB3 LEU 62 1HB LEU 62 4.973 4.157 3.451 494 HG LEU 62 HG LEU 62 2.795 5.304 1.676 495 HD11 LEU 62 1HD1 LEU 62 2.204 3.273 2.988 496 HD12 LEU 62 2HD1 LEU 62 1.322 4.699 3.532 497 HD13 LEU 62 3HD1 LEU 62 2.699 4.108 4.461 498 HD21 LEU 62 3HD2 LEU 62 2.487 6.801 3.778 499 HD22 LEU 62 1HD2 LEU 62 3.800 7.199 2.673 500 HD23 LEU 62 2HD2 LEU 62 4.143 6.341 4.176 501 H ASP 63 H ASP 63 7.317 4.636 3.465 502 HA ASP 63 HA ASP 63 7.291 6.697 5.311 503 HB2 ASP 63 2HB ASP 63 9.602 4.972 4.404 504 HB3 ASP 63 1HB ASP 63 9.647 6.014 5.825 505 H GLU 64 H GLU 64 10.176 6.389 3.307 506 HA GLU 64 HA GLU 64 10.601 9.223 3.317 507 HB2 GLU 64 2HB GLU 64 11.983 7.039 1.738 508 HB3 GLU 64 1HB GLU 64 12.557 8.698 1.912 509 HG2 GLU 64 2HG GLU 64 13.741 7.417 3.547 510 HG3 GLU 64 1HG GLU 64 12.511 8.316 4.431 511 H ALA 65 H ALA 65 11.632 8.605 0.359 512 HA ALA 65 HA ALA 65 10.942 9.167 -1.758 513 HB1 ALA 65 1HB ALA 65 8.145 8.436 -0.898 514 HB2 ALA 65 2HB ALA 65 9.370 7.213 -1.236 515 HB3 ALA 65 3HB ALA 65 8.860 8.326 -2.506 516 H LEU 66 H LEU 66 11.381 11.390 -1.393 517 HA LEU 66 HA LEU 66 9.389 13.165 -0.338 518 HB2 LEU 66 2HB LEU 66 11.987 13.576 -1.814 519 HB3 LEU 66 1HB LEU 66 10.944 14.930 -1.384 520 HG LEU 66 HG LEU 66 12.756 14.465 0.296 521 HD11 LEU 66 1HD1 LEU 66 11.432 15.041 2.100 522 HD12 LEU 66 2HD1 LEU 66 10.174 13.873 1.710 523 HD13 LEU 66 3HD1 LEU 66 10.297 15.374 0.795 524 HD21 LEU 66 3HD2 LEU 66 12.771 12.477 1.586 525 HD22 LEU 66 1HD2 LEU 66 12.531 11.921 -0.069 526 HD23 LEU 66 2HD2 LEU 66 11.162 12.008 1.040 527 H ARG 67 H ARG 67 8.735 15.124 -1.734 528 HA ARG 67 HA ARG 67 7.154 14.136 -3.906 529 HB2 ARG 67 2HB ARG 67 7.699 16.987 -3.039 530 HB3 ARG 67 1HB ARG 67 6.422 16.468 -4.141 531 HG2 ARG 67 2HG ARG 67 5.488 15.032 -2.333 532 HG3 ARG 67 1HG ARG 67 6.716 15.659 -1.235 533 HD2 ARG 67 2HD ARG 67 4.670 17.351 -2.694 534 HD3 ARG 67 1HD ARG 67 4.555 16.866 -1.006 535 HE ARG 67 HE ARG 67 7.033 18.122 -1.342 536 HH11 ARG 67 1HH2 ARG 67 3.654 18.832 -1.576 537 HH12 ARG 67 2HH2 ARG 67 3.833 20.499 -1.145 538 HH21 ARG 67 1HH1 ARG 67 7.276 20.308 -0.776 539 HH22 ARG 67 2HH1 ARG 67 5.883 21.336 -0.691 540 H LYS 68 H LYS 68 8.401 13.399 -5.586 541 HA LYS 68 HA LYS 68 9.418 15.318 -7.421 542 HB2 LYS 68 2HB LYS 68 11.791 14.621 -7.384 543 HB3 LYS 68 1HB LYS 68 11.310 15.394 -5.872 544 HG2 LYS 68 2HG LYS 68 10.923 13.134 -4.884 545 HG3 LYS 68 1HG LYS 68 11.533 12.413 -6.373 546 HD2 LYS 68 2HD LYS 68 13.689 13.572 -6.058 547 HD3 LYS 68 1HD LYS 68 13.081 14.295 -4.568 548 HE2 LYS 68 2HE LYS 68 12.767 12.045 -3.601 549 HE3 LYS 68 1HE LYS 68 13.380 11.323 -5.088 550 HZ1 LYS 68 3HZ LYS 68 14.815 12.551 -2.924 551 HZ2 LYS 68 1HZ LYS 68 15.292 13.127 -4.447 552 HZ3 LYS 68 2HZ LYS 68 15.361 11.464 -4.109 553 H GLY 69 H GLY 69 8.034 12.512 -6.744 554 HA2 GLY 69 2HA GLY 69 9.220 10.612 -8.465 555 HA3 GLY 69 1HA GLY 69 7.546 10.595 -7.919 556 H HIS 70 H HIS 70 6.851 13.169 -9.012 557 HA HIS 70 HA HIS 70 6.012 12.404 -11.592 558 HB2 HIS 70 2HB HIS 70 4.866 14.116 -10.221 559 HB3 HIS 70 1HB HIS 70 6.241 15.198 -10.448 560 HD2 HIS 70 2HD HIS 70 6.672 15.878 -13.304 561 HE1 HIS 70 1HE HIS 70 2.651 15.086 -14.318 562 HE2 HIS 70 2HE HIS 70 4.810 16.158 -15.114 563 H SER 71 H SER 71 8.464 14.814 -10.626 564 HA SER 71 HA SER 71 9.395 15.291 -13.263 565 HB2 SER 71 2HB SER 71 10.914 15.670 -10.675 566 HB3 SER 71 1HB SER 71 11.231 16.467 -12.214 567 HG SER 71 HG SER 71 8.664 16.640 -11.119 568 H GLU 72 H GLU 72 10.851 14.250 -14.494 569 HA GLU 72 HA GLU 72 12.952 12.627 -13.501 570 HB2 GLU 72 2HB GLU 72 12.104 10.425 -14.291 571 HB3 GLU 72 1HB GLU 72 11.179 11.059 -12.929 572 HG2 GLU 72 2HG GLU 72 9.505 11.969 -14.539 573 HG3 GLU 72 1HG GLU 72 10.402 11.213 -15.855 574 H GLY 73 H GLY 73 13.825 11.185 -15.387 575 HA2 GLY 73 2HA GLY 73 14.734 11.121 -17.499 576 HA3 GLY 73 1HA GLY 73 13.194 11.763 -18.066 577 H GLY 74 H GLY 74 16.471 12.493 -17.236 578 HA2 GLY 74 2HA GLY 74 16.565 14.849 -18.774 579 HA3 GLY 74 1HA GLY 74 16.374 15.298 -17.082 580 H1 HOH 201 H2 HOH 77 3.270 16.796 -11.228 581 H2 HOH 201 H1 HOH 77 1.820 17.112 -10.928 Start of MODEL 14 1 H1 VAL 1 1H VAL 1 3.732 12.909 -11.532 2 H2 VAL 1 2H VAL 1 5.215 12.454 -12.216 3 HA VAL 1 HA VAL 1 3.446 11.222 -13.240 4 HB VAL 1 HB VAL 1 4.283 8.945 -12.822 5 HG11 VAL 1 2HG1 VAL 1 6.457 11.059 -12.724 6 HG12 VAL 1 3HG1 VAL 1 5.626 10.506 -14.179 7 HG13 VAL 1 1HG1 VAL 1 6.662 9.398 -13.280 8 HG21 VAL 1 1HG2 VAL 1 5.825 10.183 -10.520 9 HG22 VAL 1 2HG2 VAL 1 5.891 8.504 -11.042 10 HG23 VAL 1 3HG2 VAL 1 4.417 9.144 -10.322 11 H ASP 2 H ASP 2 2.119 12.461 -11.060 12 HA ASP 2 HA ASP 2 0.229 10.322 -10.368 13 HB2 ASP 2 2HB ASP 2 1.100 12.227 -8.207 14 HB3 ASP 2 1HB ASP 2 0.317 10.652 -8.056 15 H MET 3 H MET 3 -0.007 12.392 -12.269 16 HA MET 3 HA MET 3 -1.368 14.667 -11.235 17 HB2 MET 3 2HB MET 3 -0.312 14.579 -13.489 18 HB3 MET 3 1HB MET 3 -1.561 13.445 -14.001 19 HG2 MET 3 2HG MET 3 -2.326 16.107 -12.805 20 HG3 MET 3 1HG MET 3 -1.897 15.980 -14.510 21 HE1 MET 3 3HE MET 3 -4.724 16.875 -13.110 22 HE2 MET 3 1HE MET 3 -5.808 16.258 -14.365 23 HE3 MET 3 2HE MET 3 -4.297 17.045 -14.810 24 H SER 4 H SER 4 -2.518 11.644 -12.730 25 HA SER 4 HA SER 4 -5.271 12.189 -12.543 26 HB2 SER 4 2HB SER 4 -5.563 9.753 -12.778 27 HB3 SER 4 1HB SER 4 -4.369 10.368 -13.916 28 HG SER 4 HG SER 4 -3.646 8.487 -12.821 29 H ASN 5 H ASN 5 -3.091 11.952 -10.081 30 HA ASN 5 HA ASN 5 -3.198 11.422 -7.832 31 HB2 ASN 5 2HB ASN 5 -5.054 12.482 -6.699 32 HB3 ASN 5 1HB ASN 5 -4.556 13.503 -8.046 33 HD21 ASN 5 1HD2 ASN 5 -5.941 13.435 -10.029 34 HD22 ASN 5 2HD2 ASN 5 -7.568 12.968 -9.897 35 H VAL 6 H VAL 6 -3.327 9.082 -8.883 36 HA VAL 6 HA VAL 6 -5.684 7.579 -8.766 37 HB VAL 6 HB VAL 6 -4.202 5.616 -8.572 38 HG11 VAL 6 1HG1 VAL 6 -4.514 6.931 -10.735 39 HG12 VAL 6 2HG1 VAL 6 -3.063 5.933 -10.653 40 HG13 VAL 6 3HG1 VAL 6 -2.950 7.675 -10.402 41 HG21 VAL 6 3HG2 VAL 6 -2.589 6.486 -6.964 42 HG22 VAL 6 1HG2 VAL 6 -2.082 7.735 -8.101 43 HG23 VAL 6 2HG2 VAL 6 -1.734 6.040 -8.441 44 H VAL 7 H VAL 7 -6.378 6.019 -7.174 45 HA VAL 7 HA VAL 7 -5.424 6.376 -4.426 46 HB VAL 7 HB VAL 7 -8.306 6.863 -5.223 47 HG11 VAL 7 1HG1 VAL 7 -8.501 7.453 -2.777 48 HG12 VAL 7 2HG1 VAL 7 -6.883 6.786 -2.547 49 HG13 VAL 7 3HG1 VAL 7 -8.199 5.743 -3.084 50 HG21 VAL 7 3HG2 VAL 7 -6.067 8.678 -4.292 51 HG22 VAL 7 1HG2 VAL 7 -7.765 9.140 -4.188 52 HG23 VAL 7 2HG2 VAL 7 -7.034 8.819 -5.760 53 H LYS 8 H LYS 8 -4.771 4.226 -4.489 54 HA LYS 8 HA LYS 8 -6.825 2.163 -4.969 55 HB2 LYS 8 2HB LYS 8 -4.385 2.190 -5.955 56 HB3 LYS 8 1HB LYS 8 -3.929 1.576 -4.369 57 HG2 LYS 8 2HG LYS 8 -4.328 -0.422 -5.498 58 HG3 LYS 8 1HG LYS 8 -5.925 -0.128 -4.802 59 HD2 LYS 8 2HD LYS 8 -6.674 0.896 -6.912 60 HD3 LYS 8 1HD LYS 8 -5.068 0.671 -7.605 61 HE2 LYS 8 2HE LYS 8 -5.379 -1.830 -7.078 62 HE3 LYS 8 1HE LYS 8 -7.084 -1.440 -6.834 63 HZ1 LYS 8 3HZ LYS 8 -6.072 -0.281 -9.230 64 HZ2 LYS 8 1HZ LYS 8 -7.404 -1.307 -9.011 65 HZ3 LYS 8 2HZ LYS 8 -5.853 -1.967 -9.225 66 H THR 9 H THR 9 -7.660 0.958 -3.356 67 HA THR 9 HA THR 9 -6.360 0.905 -0.723 68 HB THR 9 HB THR 9 -9.247 1.744 -1.046 69 HG1 THR 9 1HG THR 9 -6.858 3.158 -0.914 70 HG21 THR 9 3HG2 THR 9 -7.379 1.673 1.341 71 HG22 THR 9 1HG2 THR 9 -8.701 0.544 1.039 72 HG23 THR 9 2HG2 THR 9 -9.047 2.245 1.359 73 H TYR 10 H TYR 10 -6.922 -0.857 0.539 74 HA TYR 10 HA TYR 10 -8.885 -2.785 -0.527 75 HB2 TYR 10 2HB TYR 10 -5.967 -3.327 0.035 76 HB3 TYR 10 1HB TYR 10 -7.174 -4.603 -0.053 77 HD1 TYR 10 2HD TYR 10 -8.768 -4.458 -2.181 78 HD2 TYR 10 1HD TYR 10 -4.838 -2.746 -1.938 79 HE1 TYR 10 2HE TYR 10 -8.619 -4.455 -4.655 80 HE2 TYR 10 1HE TYR 10 -4.688 -2.738 -4.414 81 HH TYR 10 HH TYR 10 -5.638 -3.479 -6.312 82 H ASP 11 H ASP 11 -10.264 -2.529 1.191 83 HA ASP 11 HA ASP 11 -9.557 -2.200 3.876 84 HB2 ASP 11 2HB ASP 11 -12.031 -3.375 2.608 85 HB3 ASP 11 1HB ASP 11 -11.877 -3.049 4.333 86 H LEU 12 H LEU 12 -7.995 -3.599 4.594 87 HA LEU 12 HA LEU 12 -8.151 -6.444 4.254 88 HB2 LEU 12 2HB LEU 12 -6.290 -4.487 5.326 89 HB3 LEU 12 1HB LEU 12 -6.433 -5.833 6.444 90 HG LEU 12 HG LEU 12 -5.726 -7.412 4.780 91 HD11 LEU 12 1HD1 LEU 12 -6.388 -5.223 2.859 92 HD12 LEU 12 2HD1 LEU 12 -6.593 -6.967 2.697 93 HD13 LEU 12 3HD1 LEU 12 -5.011 -6.249 2.449 94 HD21 LEU 12 3HD2 LEU 12 -4.102 -4.857 4.805 95 HD22 LEU 12 1HD2 LEU 12 -3.521 -6.324 4.027 96 HD23 LEU 12 2HD2 LEU 12 -3.855 -6.324 5.755 97 H GLN 13 H GLN 13 -8.285 -7.976 6.050 98 HA GLN 13 HA GLN 13 -10.599 -7.408 7.685 99 HB2 GLN 13 2HB GLN 13 -10.370 -9.739 8.415 100 HB3 GLN 13 1HB GLN 13 -10.272 -9.625 6.656 101 HG2 GLN 13 2HG GLN 13 -7.764 -9.582 6.873 102 HG3 GLN 13 1HG GLN 13 -7.961 -9.911 8.596 103 HE21 GLN 13 1HE2 GLN 13 -9.850 -11.269 5.855 104 HE22 GLN 13 2HE2 GLN 13 -9.423 -12.887 6.173 105 H ASP 14 H ASP 14 -7.221 -7.108 8.026 106 HA ASP 14 HA ASP 14 -7.165 -7.426 10.914 107 HB2 ASP 14 2HB ASP 14 -5.096 -6.396 8.958 108 HB3 ASP 14 1HB ASP 14 -4.815 -6.655 10.681 109 H GLY 15 H GLY 15 -8.710 -5.254 9.251 110 HA2 GLY 15 2HA GLY 15 -9.548 -3.188 9.907 111 HA3 GLY 15 1HA GLY 15 -8.394 -3.176 11.240 112 H SER 16 H SER 16 -6.388 -3.910 8.925 113 HA SER 16 HA SER 16 -5.537 -1.161 8.496 114 HB2 SER 16 2HB SER 16 -3.515 -2.127 7.610 115 HB3 SER 16 1HB SER 16 -3.944 -3.017 9.072 116 HG SER 16 HG SER 16 -5.207 -4.233 7.169 117 H LYS 17 H LYS 17 -4.507 -0.890 6.144 118 HA LYS 17 HA LYS 17 -6.278 -1.907 4.044 119 HB2 LYS 17 2HB LYS 17 -5.901 1.068 4.446 120 HB3 LYS 17 1HB LYS 17 -6.913 0.271 3.241 121 HG2 LYS 17 2HG LYS 17 -8.230 -0.742 5.136 122 HG3 LYS 17 1HG LYS 17 -7.305 0.273 6.240 123 HD2 LYS 17 2HD LYS 17 -8.125 2.288 5.181 124 HD3 LYS 17 1HD LYS 17 -8.907 1.351 3.907 125 HE2 LYS 17 2HE LYS 17 -10.518 2.091 5.656 126 HE3 LYS 17 1HE LYS 17 -10.421 0.334 5.536 127 HZ1 LYS 17 3HZ LYS 17 -9.926 1.949 7.766 128 HZ2 LYS 17 1HZ LYS 17 -8.462 1.212 7.333 129 HZ3 LYS 17 2HZ LYS 17 -9.829 0.256 7.652 130 H VAL 18 H VAL 18 -5.113 -2.352 2.293 131 HA VAL 18 HA VAL 18 -2.334 -1.489 2.169 132 HB VAL 18 HB VAL 18 -3.532 -3.006 -0.107 133 HG11 VAL 18 1HG1 VAL 18 -1.121 -2.527 0.013 134 HG12 VAL 18 2HG1 VAL 18 -1.439 -4.260 0.073 135 HG13 VAL 18 3HG1 VAL 18 -1.034 -3.388 1.551 136 HG21 VAL 18 3HG2 VAL 18 -3.117 -4.261 2.613 137 HG22 VAL 18 1HG2 VAL 18 -3.497 -5.120 1.119 138 HG23 VAL 18 2HG2 VAL 18 -4.676 -4.021 1.827 139 H HIS 19 H HIS 19 -1.431 -0.363 0.380 140 HA HIS 19 HA HIS 19 -3.284 1.048 -1.428 141 HB2 HIS 19 2HB HIS 19 -1.637 3.121 -0.787 142 HB3 HIS 19 1HB HIS 19 -3.169 2.832 0.038 143 HD1 HIS 19 1HD HIS 19 -2.889 1.028 2.150 144 HD2 HIS 19 2HD HIS 19 0.479 3.201 1.005 145 HE1 HIS 19 1HE HIS 19 -1.257 0.879 4.074 146 HE2 HIS 19 2HE HIS 19 0.799 2.210 3.397 147 H VAL 20 H VAL 20 -2.517 0.685 -3.420 148 HA VAL 20 HA VAL 20 0.309 0.051 -3.750 149 HB VAL 20 HB VAL 20 -0.207 -1.002 -5.740 150 HG11 VAL 20 1HG1 VAL 20 -2.591 -1.994 -5.542 151 HG12 VAL 20 2HG1 VAL 20 -2.694 -1.096 -4.033 152 HG13 VAL 20 3HG1 VAL 20 -1.450 -2.311 -4.251 153 HG21 VAL 20 3HG2 VAL 20 -2.354 1.078 -6.020 154 HG22 VAL 20 1HG2 VAL 20 -2.411 -0.386 -7.001 155 HG23 VAL 20 2HG2 VAL 20 -1.026 0.701 -7.112 156 H PHE 21 H PHE 21 1.610 1.009 -5.410 157 HA PHE 21 HA PHE 21 1.131 3.906 -5.632 158 HB2 PHE 21 2HB PHE 21 3.593 2.198 -6.057 159 HB3 PHE 21 1HB PHE 21 3.539 3.937 -6.343 160 HD1 PHE 21 2HD PHE 21 3.264 5.519 -4.489 161 HD2 PHE 21 1HD PHE 21 3.478 1.285 -3.801 162 HE1 PHE 21 2HE PHE 21 3.642 5.929 -2.072 163 HE2 PHE 21 1HE PHE 21 3.857 1.695 -1.385 164 HZ PHE 21 HZ PHE 21 3.938 4.018 -0.520 165 H LYS 22 H LYS 22 2.727 4.416 -7.868 166 HA LYS 22 HA LYS 22 0.865 3.800 -9.978 167 HB2 LYS 22 2HB LYS 22 2.641 5.073 -11.372 168 HB3 LYS 22 1HB LYS 22 1.741 5.966 -10.150 169 HG2 LYS 22 2HG LYS 22 4.277 4.668 -9.225 170 HG3 LYS 22 1HG LYS 22 4.458 6.033 -10.322 171 HD2 LYS 22 2HD LYS 22 3.325 7.514 -8.846 172 HD3 LYS 22 1HD LYS 22 2.693 6.189 -7.870 173 HE2 LYS 22 2HE LYS 22 4.964 5.631 -7.120 174 HE3 LYS 22 1HE LYS 22 5.627 6.909 -8.137 175 HZ1 LYS 22 3HZ LYS 22 3.697 7.320 -5.920 176 HZ2 LYS 22 1HZ LYS 22 4.397 8.535 -6.872 177 HZ3 LYS 22 2HZ LYS 22 5.368 7.611 -5.829 178 H ASP 23 H ASP 23 3.896 2.519 -8.861 179 HA ASP 23 HA ASP 23 4.508 1.154 -11.340 180 HB2 ASP 23 2HB ASP 23 6.228 -0.020 -9.786 181 HB3 ASP 23 1HB ASP 23 6.441 1.693 -10.147 182 H GLY 24 H GLY 24 2.075 0.671 -9.305 183 HA2 GLY 24 2HA GLY 24 0.601 -1.124 -9.220 184 HA3 GLY 24 1HA GLY 24 1.798 -2.115 -10.048 185 H LYS 25 H LYS 25 3.705 -1.005 -7.793 186 HA LYS 25 HA LYS 25 3.642 -3.339 -6.176 187 HB2 LYS 25 2HB LYS 25 4.977 -0.643 -5.873 188 HB3 LYS 25 1HB LYS 25 5.208 -1.938 -4.708 189 HG2 LYS 25 2HG LYS 25 5.618 -2.543 -7.625 190 HG3 LYS 25 1HG LYS 25 6.874 -1.661 -6.762 191 HD2 LYS 25 2HD LYS 25 7.219 -3.440 -5.223 192 HD3 LYS 25 1HD LYS 25 5.727 -4.249 -5.698 193 HE2 LYS 25 2HE LYS 25 7.734 -5.345 -6.671 194 HE3 LYS 25 1HE LYS 25 6.652 -4.717 -7.916 195 HZ1 LYS 25 3HZ LYS 25 9.331 -4.125 -7.567 196 HZ2 LYS 25 1HZ LYS 25 8.491 -2.722 -7.116 197 HZ3 LYS 25 2HZ LYS 25 8.248 -3.398 -8.655 198 H MET 26 H MET 26 2.906 -3.660 -4.102 199 HA MET 26 HA MET 26 0.629 -2.096 -3.274 200 HB2 MET 26 2HB MET 26 1.807 -4.730 -2.583 201 HB3 MET 26 1HB MET 26 0.949 -3.925 -1.269 202 HG2 MET 26 2HG MET 26 -1.060 -3.783 -2.552 203 HG3 MET 26 1HG MET 26 -0.231 -4.278 -4.031 204 HE1 MET 26 3HE MET 26 -1.733 -5.953 -4.672 205 HE2 MET 26 1HE MET 26 -1.587 -7.641 -4.158 206 HE3 MET 26 2HE MET 26 -0.192 -6.795 -4.825 207 H GLY 27 H GLY 27 0.485 -1.904 -0.717 208 HA2 GLY 27 2HA GLY 27 2.961 -0.951 0.509 209 HA3 GLY 27 1HA GLY 27 1.740 0.280 0.197 210 H MET 28 H MET 28 2.899 -1.321 2.664 211 HA MET 28 HA MET 28 0.285 -2.013 3.883 212 HB2 MET 28 2HB MET 28 2.089 -3.788 3.656 213 HB3 MET 28 1HB MET 28 3.030 -2.863 4.817 214 HG2 MET 28 2HG MET 28 1.886 -4.410 6.160 215 HG3 MET 28 1HG MET 28 0.917 -2.952 6.298 216 HE1 MET 28 3HE MET 28 -1.818 -3.354 6.214 217 HE2 MET 28 1HE MET 28 -0.736 -4.249 7.291 218 HE3 MET 28 2HE MET 28 -2.037 -5.084 6.454 219 H GLU 29 H GLU 29 -0.447 -0.384 5.105 220 HA GLU 29 HA GLU 29 1.316 0.777 7.141 221 HB2 GLU 29 2HB GLU 29 1.317 2.302 5.107 222 HB3 GLU 29 1HB GLU 29 -0.400 2.566 5.412 223 HG2 GLU 29 2HG GLU 29 0.292 3.184 7.809 224 HG3 GLU 29 1HG GLU 29 1.938 3.271 7.186 225 H ASN 30 H ASN 30 0.290 0.210 8.930 226 HA ASN 30 HA ASN 30 -2.427 -0.412 9.160 227 HB2 ASN 30 2HB ASN 30 -2.063 -0.483 11.520 228 HB3 ASN 30 1HB ASN 30 -0.577 -1.039 10.755 229 HD21 ASN 30 1HD2 ASN 30 -0.181 -0.150 13.281 230 HD22 ASN 30 2HD2 ASN 30 0.499 1.411 13.301 231 H LYS 31 H LYS 31 -3.880 0.766 10.820 232 HA LYS 31 HA LYS 31 -4.361 3.419 9.765 233 HB2 LYS 31 2HB LYS 31 -6.389 3.342 11.167 234 HB3 LYS 31 1HB LYS 31 -6.236 1.911 10.151 235 HG2 LYS 31 2HG LYS 31 -6.620 0.768 12.109 236 HG3 LYS 31 1HG LYS 31 -4.906 1.049 12.395 237 HD2 LYS 31 2HD LYS 31 -5.409 3.033 13.725 238 HD3 LYS 31 1HD LYS 31 -7.123 2.900 13.333 239 HE2 LYS 31 2HE LYS 31 -7.235 0.732 14.480 240 HE3 LYS 31 1HE LYS 31 -5.512 0.820 14.840 241 HZ1 LYS 31 3HZ LYS 31 -6.868 3.184 15.658 242 HZ2 LYS 31 1HZ LYS 31 -5.904 2.129 16.570 243 HZ3 LYS 31 2HZ LYS 31 -7.562 1.808 16.375 244 H PHE 32 H PHE 32 -2.494 2.189 12.267 245 HA PHE 32 HA PHE 32 -2.947 4.319 14.170 246 HB2 PHE 32 2HB PHE 32 -2.050 1.834 14.519 247 HB3 PHE 32 1HB PHE 32 -0.484 2.599 14.253 248 HD1 PHE 32 1HD PHE 32 -3.484 2.507 16.413 249 HD2 PHE 32 2HD PHE 32 0.444 4.156 15.865 250 HE1 PHE 32 1HE PHE 32 -3.509 3.342 18.748 251 HE2 PHE 32 2HE PHE 32 0.419 4.991 18.201 252 HZ PHE 32 HZ PHE 32 -1.557 4.585 19.642 253 H GLY 33 H GLY 33 -1.664 4.420 11.223 254 HA2 GLY 33 2HA GLY 33 -0.427 6.071 10.174 255 HA3 GLY 33 1HA GLY 33 -0.161 6.818 11.750 256 H LYS 34 H LYS 34 0.644 3.618 12.029 257 HA LYS 34 HA LYS 34 3.524 4.199 11.649 258 HB2 LYS 34 2HB LYS 34 2.206 2.009 13.272 259 HB3 LYS 34 1HB LYS 34 3.927 2.383 13.224 260 HG2 LYS 34 2HG LYS 34 1.899 4.473 14.036 261 HG3 LYS 34 1HG LYS 34 2.533 3.320 15.205 262 HD2 LYS 34 2HD LYS 34 4.863 4.048 14.533 263 HD3 LYS 34 1HD LYS 34 4.115 5.333 13.585 264 HE2 LYS 34 2HE LYS 34 3.013 6.200 15.607 265 HE3 LYS 34 1HE LYS 34 3.736 4.906 16.562 266 HZ1 LYS 34 3HZ LYS 34 5.188 6.656 16.871 267 HZ2 LYS 34 1HZ LYS 34 5.045 7.210 15.274 268 HZ3 LYS 34 2HZ LYS 34 5.934 5.799 15.606 269 H SER 35 H SER 35 4.497 3.317 9.956 270 HA SER 35 HA SER 35 3.253 1.583 8.132 271 HB2 SER 35 2HB SER 35 5.342 1.498 7.010 272 HB3 SER 35 1HB SER 35 5.272 3.096 7.746 273 HG SER 35 HG SER 35 6.606 2.387 9.371 274 H MET 36 H MET 36 3.097 -0.599 7.982 275 HA MET 36 HA MET 36 4.405 -2.209 10.110 276 HB2 MET 36 2HB MET 36 1.763 -2.416 8.682 277 HB3 MET 36 1HB MET 36 2.529 -3.894 9.272 278 HG2 MET 36 2HG MET 36 2.044 -1.454 11.008 279 HG3 MET 36 1HG MET 36 0.929 -2.821 10.906 280 HE1 MET 36 3HE MET 36 2.370 -5.611 12.800 281 HE2 MET 36 1HE MET 36 1.915 -5.375 11.107 282 HE3 MET 36 2HE MET 36 0.944 -4.661 12.391 283 H ASN 37 H ASN 37 6.176 -3.164 9.389 284 HA ASN 37 HA ASN 37 6.672 -3.630 6.608 285 HB2 ASN 37 2HB ASN 37 8.481 -3.143 8.222 286 HB3 ASN 37 1HB ASN 37 8.165 -4.684 9.018 287 HD21 ASN 37 1HD2 ASN 37 7.961 -6.547 7.093 288 HD22 ASN 37 2HD2 ASN 37 9.303 -6.551 6.049 289 H MET 38 H MET 38 4.931 -4.965 5.944 290 HA MET 38 HA MET 38 4.675 -7.612 7.125 291 HB2 MET 38 2HB MET 38 2.638 -6.533 6.427 292 HB3 MET 38 1HB MET 38 3.268 -6.280 4.797 293 HG2 MET 38 2HG MET 38 3.302 -8.662 4.389 294 HG3 MET 38 1HG MET 38 2.931 -9.002 6.070 295 HE1 MET 38 3HE MET 38 -0.736 -8.412 6.526 296 HE2 MET 38 1HE MET 38 0.717 -7.633 7.172 297 HE3 MET 38 2HE MET 38 0.672 -9.383 6.967 298 HA PRO 39 HA PRO 39 7.786 -8.980 4.137 299 HB2 PRO 39 2HB PRO 39 7.908 -11.617 4.811 300 HB3 PRO 39 1HB PRO 39 8.622 -10.341 5.821 301 HG2 PRO 39 2HG PRO 39 6.023 -11.776 6.148 302 HG3 PRO 39 1HG PRO 39 7.221 -11.325 7.376 303 HD2 PRO 39 2HD PRO 39 4.928 -9.883 6.918 304 HD3 PRO 39 1HD PRO 39 6.411 -9.157 7.552 305 H GLU 40 H GLU 40 7.612 -9.613 2.054 306 HA GLU 40 HA GLU 40 5.242 -10.069 0.767 307 HB2 GLU 40 2HB GLU 40 7.421 -9.559 -0.335 308 HB3 GLU 40 1HB GLU 40 7.909 -11.232 -0.065 309 HG2 GLU 40 2HG GLU 40 5.336 -10.570 -1.506 310 HG3 GLU 40 1HG GLU 40 6.874 -10.632 -2.363 311 H GLY 41 H GLY 41 3.834 -11.684 0.634 312 HA2 GLY 41 2HA GLY 41 3.510 -14.097 0.189 313 HA3 GLY 41 1HA GLY 41 4.686 -14.410 1.461 314 H LYS 42 H LYS 42 3.404 -12.027 2.959 315 HA LYS 42 HA LYS 42 1.623 -13.637 4.518 316 HB2 LYS 42 2HB LYS 42 2.736 -10.897 4.656 317 HB3 LYS 42 1HB LYS 42 1.160 -11.079 5.413 318 HG2 LYS 42 2HG LYS 42 3.340 -13.085 6.002 319 HG3 LYS 42 1HG LYS 42 3.341 -11.530 6.823 320 HD2 LYS 42 2HD LYS 42 1.266 -11.922 7.862 321 HD3 LYS 42 1HD LYS 42 0.853 -13.226 6.748 322 HE2 LYS 42 2HE LYS 42 2.705 -14.590 7.697 323 HE3 LYS 42 1HE LYS 42 3.039 -13.298 8.850 324 HZ1 LYS 42 3HZ LYS 42 1.445 -15.286 9.436 325 HZ2 LYS 42 1HZ LYS 42 0.298 -14.300 8.672 326 HZ3 LYS 42 2HZ LYS 42 1.154 -13.718 10.019 327 H VAL 43 H VAL 43 0.291 -14.238 2.712 328 HA VAL 43 HA VAL 43 -1.311 -12.859 1.064 329 HB VAL 43 HB VAL 43 -2.461 -15.004 2.849 330 HG11 VAL 43 1HG1 VAL 43 -2.851 -14.566 -0.114 331 HG12 VAL 43 2HG1 VAL 43 -3.853 -13.750 1.084 332 HG13 VAL 43 3HG1 VAL 43 -3.847 -15.511 0.991 333 HG21 VAL 43 3HG2 VAL 43 -0.359 -15.905 2.210 334 HG22 VAL 43 1HG2 VAL 43 -0.446 -15.188 0.602 335 HG23 VAL 43 2HG2 VAL 43 -1.492 -16.545 1.021 336 H MET 44 H MET 44 -2.611 -11.152 1.240 337 HA MET 44 HA MET 44 -3.921 -10.586 3.840 338 HB2 MET 44 2HB MET 44 -3.564 -8.742 1.477 339 HB3 MET 44 1HB MET 44 -4.111 -8.310 3.084 340 HG2 MET 44 2HG MET 44 -1.921 -8.811 4.006 341 HG3 MET 44 1HG MET 44 -1.373 -9.445 2.456 342 HE1 MET 44 3HE MET 44 -0.853 -6.619 0.165 343 HE2 MET 44 1HE MET 44 -2.552 -7.077 0.279 344 HE3 MET 44 2HE MET 44 -1.300 -8.307 0.401 345 H GLU 45 H GLU 45 -6.157 -10.429 3.918 346 HA GLU 45 HA GLU 45 -7.635 -10.995 1.397 347 HB2 GLU 45 2HB GLU 45 -7.478 -12.972 2.936 348 HB3 GLU 45 1HB GLU 45 -8.348 -12.029 4.149 349 HG2 GLU 45 2HG GLU 45 -10.254 -11.779 2.652 350 HG3 GLU 45 1HG GLU 45 -9.380 -12.602 1.356 351 H THR 46 H THR 46 -9.030 -9.455 0.888 352 HA THR 46 HA THR 46 -9.710 -7.389 2.790 353 HB THR 46 HB THR 46 -10.806 -6.301 0.953 354 HG1 THR 46 1HG THR 46 -11.591 -7.380 -0.677 355 HG21 THR 46 3HG2 THR 46 -8.312 -6.370 0.957 356 HG22 THR 46 1HG2 THR 46 -8.992 -6.213 -0.662 357 HG23 THR 46 2HG2 THR 46 -8.382 -7.772 -0.112 358 H ARG 47 H ARG 47 -11.974 -6.707 3.134 359 HA ARG 47 HA ARG 47 -13.520 -8.685 4.330 360 HB2 ARG 47 2HB ARG 47 -14.404 -6.027 3.180 361 HB3 ARG 47 1HB ARG 47 -15.363 -7.021 4.282 362 HG2 ARG 47 2HG ARG 47 -13.634 -6.840 6.001 363 HG3 ARG 47 1HG ARG 47 -12.602 -5.928 4.900 364 HD2 ARG 47 2HD ARG 47 -13.797 -4.419 6.445 365 HD3 ARG 47 1HD ARG 47 -14.290 -4.142 4.776 366 HE ARG 47 HE ARG 47 -16.034 -6.029 5.959 367 HH11 ARG 47 1HH2 ARG 47 -15.142 -2.688 6.079 368 HH12 ARG 47 2HH2 ARG 47 -16.706 -2.147 6.590 369 HH21 ARG 47 1HH1 ARG 47 -18.087 -5.327 6.629 370 HH22 ARG 47 2HH1 ARG 47 -18.373 -3.641 6.902 371 H ASP 48 H ASP 48 -13.622 -7.412 1.036 372 HA ASP 48 HA ASP 48 -15.983 -8.807 0.249 373 HB2 ASP 48 2HB ASP 48 -13.701 -7.710 -1.414 374 HB3 ASP 48 1HB ASP 48 -15.252 -8.263 -2.052 375 H GLY 49 H GLY 49 -12.989 -9.926 1.116 376 HA2 GLY 49 2HA GLY 49 -12.212 -12.118 1.118 377 HA3 GLY 49 1HA GLY 49 -13.519 -12.555 0.018 378 H THR 50 H THR 50 -11.334 -9.878 -0.597 379 HA THR 50 HA THR 50 -10.496 -11.133 -3.096 380 HB THR 50 HB THR 50 -9.597 -8.452 -2.040 381 HG1 THR 50 1HG THR 50 -12.074 -9.222 -2.519 382 HG21 THR 50 3HG2 THR 50 -9.493 -7.954 -4.474 383 HG22 THR 50 1HG2 THR 50 -9.976 -9.615 -4.811 384 HG23 THR 50 2HG2 THR 50 -8.435 -9.289 -4.017 385 H LYS 51 H LYS 51 -8.786 -12.436 -3.130 386 HA LYS 51 HA LYS 51 -6.838 -12.450 -1.002 387 HB2 LYS 51 2HB LYS 51 -7.533 -14.538 -2.105 388 HB3 LYS 51 1HB LYS 51 -6.883 -13.946 -3.637 389 HG2 LYS 51 2HG LYS 51 -4.647 -13.976 -2.821 390 HG3 LYS 51 1HG LYS 51 -5.180 -14.152 -1.148 391 HD2 LYS 51 2HD LYS 51 -4.386 -16.310 -1.961 392 HD3 LYS 51 1HD LYS 51 -6.134 -16.387 -1.728 393 HE2 LYS 51 2HE LYS 51 -6.561 -16.228 -4.059 394 HE3 LYS 51 1HE LYS 51 -4.917 -15.687 -4.404 395 HZ1 LYS 51 3HZ LYS 51 -5.927 -18.370 -3.927 396 HZ2 LYS 51 1HZ LYS 51 -4.420 -18.013 -3.238 397 HZ3 LYS 51 2HZ LYS 51 -4.647 -17.848 -4.914 398 H ILE 52 H ILE 52 -5.407 -10.842 -0.906 399 HA ILE 52 HA ILE 52 -3.926 -10.113 -3.373 400 HB ILE 52 HB ILE 52 -3.695 -7.824 -2.038 401 HG12 ILE 52 2HG1 ILE 52 -6.452 -8.709 -1.157 402 HG13 ILE 52 1HG1 ILE 52 -5.058 -8.872 -0.113 403 HG21 ILE 52 1HG2 ILE 52 -6.260 -8.581 -3.455 404 HG22 ILE 52 2HG2 ILE 52 -4.759 -8.123 -4.266 405 HG23 ILE 52 3HG2 ILE 52 -5.613 -6.951 -3.260 406 HD11 ILE 52 3HD1 ILE 52 -6.076 -6.768 0.422 407 HD12 ILE 52 1HD1 ILE 52 -6.198 -6.334 -1.280 408 HD13 ILE 52 2HD1 ILE 52 -4.623 -6.393 -0.496 409 H ILE 53 H ILE 53 -1.879 -10.645 -3.225 410 HA ILE 53 HA ILE 53 -0.675 -11.339 -0.675 411 HB ILE 53 HB ILE 53 0.778 -11.250 -3.315 412 HG12 ILE 53 2HG1 ILE 53 -1.308 -12.343 -3.827 413 HG13 ILE 53 1HG1 ILE 53 -0.069 -13.588 -3.677 414 HG21 ILE 53 1HG2 ILE 53 0.917 -13.061 -0.885 415 HG22 ILE 53 2HG2 ILE 53 2.075 -11.800 -1.308 416 HG23 ILE 53 3HG2 ILE 53 1.911 -13.226 -2.332 417 HD11 ILE 53 3HD1 ILE 53 -0.836 -13.759 -1.207 418 HD12 ILE 53 1HD1 ILE 53 -1.893 -14.443 -2.440 419 HD13 ILE 53 2HD1 ILE 53 -2.263 -12.871 -1.732 420 H MET 54 H MET 54 1.080 -10.324 0.290 421 HA MET 54 HA MET 54 1.268 -7.495 -0.107 422 HB2 MET 54 2HB MET 54 1.630 -8.636 2.098 423 HB3 MET 54 1HB MET 54 3.154 -9.265 1.467 424 HG2 MET 54 2HG MET 54 3.712 -7.262 2.663 425 HG3 MET 54 1HG MET 54 3.798 -6.851 0.961 426 HE1 MET 54 3HE MET 54 2.208 -3.573 1.246 427 HE2 MET 54 1HE MET 54 3.067 -4.736 0.224 428 HE3 MET 54 2HE MET 54 3.725 -4.282 1.793 429 H LYS 55 H LYS 55 1.797 -7.436 -2.370 430 HA LYS 55 HA LYS 55 4.239 -8.518 -3.368 431 HB2 LYS 55 2HB LYS 55 2.293 -7.994 -4.816 432 HB3 LYS 55 1HB LYS 55 2.508 -6.283 -4.467 433 HG2 LYS 55 2HG LYS 55 3.520 -6.809 -6.617 434 HG3 LYS 55 1HG LYS 55 4.783 -6.384 -5.470 435 HD2 LYS 55 2HD LYS 55 4.121 -9.293 -5.561 436 HD3 LYS 55 1HD LYS 55 4.807 -8.655 -7.049 437 HE2 LYS 55 2HE LYS 55 6.163 -7.939 -4.469 438 HE3 LYS 55 1HE LYS 55 6.385 -9.562 -5.115 439 HZ1 LYS 55 3HZ LYS 55 7.960 -8.624 -6.356 440 HZ2 LYS 55 1HZ LYS 55 7.396 -7.049 -6.078 441 HZ3 LYS 55 2HZ LYS 55 6.688 -7.999 -7.294 442 H GLY 56 H GLY 56 3.339 -5.114 -3.376 443 HA2 GLY 56 2HA GLY 56 5.942 -4.098 -3.373 444 HA3 GLY 56 1HA GLY 56 4.501 -3.195 -2.939 445 H ASN 57 H ASN 57 6.779 -5.586 -1.581 446 HA ASN 57 HA ASN 57 6.060 -5.008 1.130 447 HB2 ASN 57 2HB ASN 57 7.099 -7.149 0.493 448 HB3 ASN 57 1HB ASN 57 8.571 -6.293 0.024 449 HD21 ASN 57 1HD2 ASN 57 6.842 -5.043 2.788 450 HD22 ASN 57 2HD2 ASN 57 7.916 -5.629 3.972 451 H GLU 58 H GLU 58 7.612 -3.204 -1.161 452 HA GLU 58 HA GLU 58 9.636 -1.985 0.515 453 HB2 GLU 58 2HB GLU 58 8.548 -1.124 -2.176 454 HB3 GLU 58 1HB GLU 58 10.007 -0.508 -1.399 455 HG2 GLU 58 2HG GLU 58 9.645 -3.455 -1.963 456 HG3 GLU 58 1HG GLU 58 10.304 -2.360 -3.172 457 H ILE 59 H ILE 59 7.817 -1.600 2.171 458 HA ILE 59 HA ILE 59 5.864 0.384 1.762 459 HB ILE 59 HB ILE 59 5.865 0.556 4.259 460 HG12 ILE 59 2HG1 ILE 59 8.049 -1.544 4.100 461 HG13 ILE 59 1HG1 ILE 59 8.374 0.157 4.443 462 HG21 ILE 59 1HG2 ILE 59 4.667 -1.249 2.929 463 HG22 ILE 59 2HG2 ILE 59 5.033 -1.672 4.599 464 HG23 ILE 59 3HG2 ILE 59 6.027 -2.310 3.291 465 HD11 ILE 59 3HD1 ILE 59 8.064 -1.452 6.458 466 HD12 ILE 59 1HD1 ILE 59 6.345 -1.378 6.068 467 HD13 ILE 59 2HD1 ILE 59 7.218 0.095 6.494 468 H PHE 60 H PHE 60 9.230 0.642 1.898 469 HA PHE 60 HA PHE 60 9.638 3.095 3.192 470 HB2 PHE 60 2HB PHE 60 11.461 1.580 2.472 471 HB3 PHE 60 1HB PHE 60 11.123 1.999 0.793 472 HD1 PHE 60 2HD PHE 60 11.581 4.258 -0.066 473 HD2 PHE 60 1HD PHE 60 12.516 3.169 3.982 474 HE1 PHE 60 2HE PHE 60 13.001 6.279 0.149 475 HE2 PHE 60 1HE PHE 60 13.936 5.191 4.198 476 HZ PHE 60 HZ PHE 60 14.180 6.745 2.282 477 H ARG 61 H ARG 61 8.368 2.346 0.025 478 HA ARG 61 HA ARG 61 8.727 4.778 -1.286 479 HB2 ARG 61 2HB ARG 61 7.790 2.633 -2.255 480 HB3 ARG 61 1HB ARG 61 6.261 3.044 -1.491 481 HG2 ARG 61 2HG ARG 61 5.910 4.009 -3.575 482 HG3 ARG 61 1HG ARG 61 6.637 5.377 -2.742 483 HD2 ARG 61 2HD ARG 61 8.231 3.387 -4.387 484 HD3 ARG 61 1HD ARG 61 7.594 4.892 -5.032 485 HE ARG 61 HE ARG 61 8.998 5.685 -2.827 486 HH11 ARG 61 1HH2 ARG 61 9.666 3.739 -5.611 487 HH12 ARG 61 2HH2 ARG 61 11.348 4.153 -5.666 488 HH21 ARG 61 1HH1 ARG 61 11.202 6.230 -2.893 489 HH22 ARG 61 2HH1 ARG 61 12.217 5.563 -4.128 490 H LEU 62 H LEU 62 5.987 3.738 0.752 491 HA LEU 62 HA LEU 62 4.435 6.032 0.579 492 HB2 LEU 62 2HB LEU 62 4.107 3.722 1.854 493 HB3 LEU 62 1HB LEU 62 4.692 4.645 3.234 494 HG LEU 62 HG LEU 62 2.296 5.307 1.492 495 HD11 LEU 62 1HD1 LEU 62 2.462 4.688 4.454 496 HD12 LEU 62 2HD1 LEU 62 2.074 3.484 3.225 497 HD13 LEU 62 3HD1 LEU 62 1.002 4.861 3.480 498 HD21 LEU 62 3HD2 LEU 62 2.014 7.122 3.330 499 HD22 LEU 62 1HD2 LEU 62 3.208 7.416 2.067 500 HD23 LEU 62 2HD2 LEU 62 3.726 6.860 3.658 501 H ASP 63 H ASP 63 6.982 5.287 2.965 502 HA ASP 63 HA ASP 63 6.916 7.609 4.465 503 HB2 ASP 63 2HB ASP 63 9.341 6.008 3.615 504 HB3 ASP 63 1HB ASP 63 9.317 7.191 4.922 505 H GLU 64 H GLU 64 8.370 9.480 4.430 506 HA GLU 64 HA GLU 64 8.178 10.996 2.114 507 HB2 GLU 64 2HB GLU 64 10.234 11.239 4.324 508 HB3 GLU 64 1HB GLU 64 9.840 12.494 3.148 509 HG2 GLU 64 2HG GLU 64 7.814 11.246 5.023 510 HG3 GLU 64 1HG GLU 64 8.657 12.757 5.356 511 H ALA 65 H ALA 65 8.835 9.656 0.361 512 HA ALA 65 HA ALA 65 11.517 8.652 0.165 513 HB1 ALA 65 1HB ALA 65 9.359 9.033 -1.921 514 HB2 ALA 65 2HB ALA 65 9.730 7.546 -1.048 515 HB3 ALA 65 3HB ALA 65 10.888 8.202 -2.204 516 H LEU 66 H LEU 66 11.620 11.351 0.851 517 HA LEU 66 HA LEU 66 12.638 13.328 0.273 518 HB2 LEU 66 2HB LEU 66 13.847 11.861 -2.067 519 HB3 LEU 66 1HB LEU 66 14.543 13.167 -1.107 520 HG LEU 66 HG LEU 66 14.008 10.331 -0.178 521 HD11 LEU 66 1HD1 LEU 66 16.545 11.927 -0.643 522 HD12 LEU 66 2HD1 LEU 66 16.008 10.515 -1.553 523 HD13 LEU 66 3HD1 LEU 66 16.495 10.344 0.133 524 HD21 LEU 66 3HD2 LEU 66 13.573 11.727 1.704 525 HD22 LEU 66 1HD2 LEU 66 14.888 12.828 1.291 526 HD23 LEU 66 2HD2 LEU 66 15.247 11.211 1.900 527 H ARG 67 H ARG 67 12.935 14.932 -1.579 528 HA ARG 67 HA ARG 67 10.437 15.416 -2.795 529 HB2 ARG 67 2HB ARG 67 12.127 17.169 -2.265 530 HB3 ARG 67 1HB ARG 67 13.122 16.563 -3.588 531 HG2 ARG 67 2HG ARG 67 11.363 17.056 -5.199 532 HG3 ARG 67 1HG ARG 67 10.269 17.537 -3.902 533 HD2 ARG 67 2HD ARG 67 11.356 19.482 -5.047 534 HD3 ARG 67 1HD ARG 67 11.690 19.413 -3.319 535 HE ARG 67 HE ARG 67 13.725 18.041 -4.747 536 HH11 ARG 67 1HH2 ARG 67 12.467 21.199 -4.096 537 HH12 ARG 67 2HH2 ARG 67 13.990 21.997 -4.291 538 HH21 ARG 67 1HH1 ARG 67 15.728 19.082 -5.004 539 HH22 ARG 67 2HH1 ARG 67 15.838 20.799 -4.804 540 H LYS 68 H LYS 68 13.543 14.460 -4.282 541 HA LYS 68 HA LYS 68 12.363 13.977 -6.847 542 HB2 LYS 68 2HB LYS 68 14.996 12.847 -5.913 543 HB3 LYS 68 1HB LYS 68 14.521 13.327 -7.541 544 HG2 LYS 68 2HG LYS 68 14.979 15.169 -5.177 545 HG3 LYS 68 1HG LYS 68 15.988 15.035 -6.618 546 HD2 LYS 68 2HD LYS 68 13.879 15.654 -7.952 547 HD3 LYS 68 1HD LYS 68 13.177 16.128 -6.405 548 HE2 LYS 68 2HE LYS 68 14.221 18.060 -7.545 549 HE3 LYS 68 1HE LYS 68 15.037 17.693 -6.025 550 HZ1 LYS 68 3HZ LYS 68 16.864 16.873 -7.090 551 HZ2 LYS 68 1HZ LYS 68 16.391 18.058 -8.209 552 HZ3 LYS 68 2HZ LYS 68 16.005 16.426 -8.485 553 H GLY 69 H GLY 69 11.694 12.089 -7.766 554 HA2 GLY 69 2HA GLY 69 12.239 9.494 -6.787 555 HA3 GLY 69 1HA GLY 69 10.681 10.028 -6.164 556 H HIS 70 H HIS 70 8.927 9.825 -7.433 557 HA HIS 70 HA HIS 70 7.630 9.201 -9.224 558 HB2 HIS 70 2HB HIS 70 9.839 10.556 -10.791 559 HB3 HIS 70 1HB HIS 70 8.217 10.196 -11.384 560 HD2 HIS 70 2HD HIS 70 9.887 12.573 -8.682 561 HE1 HIS 70 1HE HIS 70 5.997 13.983 -9.523 562 HE2 HIS 70 2HE HIS 70 8.144 14.473 -8.259 563 H SER 71 H SER 71 9.761 7.384 -8.256 564 HA SER 71 HA SER 71 10.750 5.390 -8.828 565 HB2 SER 71 2HB SER 71 9.478 3.970 -10.266 566 HB3 SER 71 1HB SER 71 8.317 4.990 -9.421 567 HG SER 71 HG SER 71 8.198 6.293 -11.247 568 H GLU 72 H GLU 72 12.787 5.988 -9.482 569 HA GLU 72 HA GLU 72 13.419 7.205 -11.955 570 HB2 GLU 72 2HB GLU 72 15.160 5.470 -10.185 571 HB3 GLU 72 1HB GLU 72 15.732 6.552 -11.455 572 HG2 GLU 72 2HG GLU 72 14.092 7.459 -9.074 573 HG3 GLU 72 1HG GLU 72 15.852 7.547 -9.148 574 H GLY 73 H GLY 73 12.869 3.892 -11.023 575 HA2 GLY 73 2HA GLY 73 12.709 1.957 -12.258 576 HA3 GLY 73 1HA GLY 73 12.552 2.988 -13.678 577 H GLY 74 H GLY 74 14.884 1.463 -11.502 578 HA2 GLY 74 2HA GLY 74 16.618 0.650 -13.568 579 HA3 GLY 74 1HA GLY 74 17.248 2.135 -12.861 580 H1 HOH 201 H2 HOH 77 5.653 11.871 -7.175 581 H2 HOH 201 H1 HOH 77 6.860 11.216 -7.808 Start of MODEL 15 1 H1 VAL 1 1H VAL 1 0.177 10.556 -19.965 2 H2 VAL 1 2H VAL 1 -1.423 10.214 -20.417 3 HA VAL 1 HA VAL 1 -0.594 11.472 -17.858 4 HB VAL 1 HB VAL 1 -1.959 13.410 -18.990 5 HG11 VAL 1 2HG1 VAL 1 0.106 14.273 -20.023 6 HG12 VAL 1 3HG1 VAL 1 0.808 12.656 -19.985 7 HG13 VAL 1 1HG1 VAL 1 0.459 13.502 -18.478 8 HG21 VAL 1 1HG2 VAL 1 -1.884 13.424 -21.411 9 HG22 VAL 1 2HG2 VAL 1 -2.660 11.922 -20.911 10 HG23 VAL 1 3HG2 VAL 1 -0.978 11.911 -21.438 11 H ASP 2 H ASP 2 -1.899 10.156 -16.589 12 HA ASP 2 HA ASP 2 -4.625 10.871 -16.380 13 HB2 ASP 2 2HB ASP 2 -5.515 8.512 -16.896 14 HB3 ASP 2 1HB ASP 2 -5.127 9.548 -18.268 15 H MET 3 H MET 3 -2.470 10.747 -14.621 16 HA MET 3 HA MET 3 -2.553 8.347 -13.042 17 HB2 MET 3 2HB MET 3 -1.197 9.660 -11.435 18 HB3 MET 3 1HB MET 3 -0.544 9.730 -13.073 19 HG2 MET 3 2HG MET 3 -1.784 11.896 -13.398 20 HG3 MET 3 1HG MET 3 -2.217 11.845 -11.688 21 HE1 MET 3 3HE MET 3 0.440 14.638 -11.858 22 HE2 MET 3 1HE MET 3 -1.275 14.205 -11.825 23 HE3 MET 3 2HE MET 3 -0.385 14.178 -13.345 24 H SER 4 H SER 4 -4.270 11.381 -13.091 25 HA SER 4 HA SER 4 -5.257 11.594 -10.524 26 HB2 SER 4 2HB SER 4 -7.258 12.653 -11.556 27 HB3 SER 4 1HB SER 4 -5.745 13.259 -12.225 28 HG SER 4 HG SER 4 -6.051 11.641 -13.906 29 H ASN 5 H ASN 5 -5.684 9.015 -12.672 30 HA ASN 5 HA ASN 5 -8.220 8.049 -12.280 31 HB2 ASN 5 2HB ASN 5 -6.471 6.952 -13.665 32 HB3 ASN 5 1HB ASN 5 -5.693 6.386 -12.187 33 HD21 ASN 5 1HD2 ASN 5 -8.524 5.963 -14.270 34 HD22 ASN 5 2HD2 ASN 5 -9.075 4.541 -13.523 35 H VAL 6 H VAL 6 -9.153 6.557 -10.786 36 HA VAL 6 HA VAL 6 -8.855 7.236 -8.088 37 HB VAL 6 HB VAL 6 -10.884 6.187 -9.022 38 HG11 VAL 6 1HG1 VAL 6 -10.937 3.867 -9.624 39 HG12 VAL 6 2HG1 VAL 6 -9.307 3.604 -9.006 40 HG13 VAL 6 3HG1 VAL 6 -9.553 4.564 -10.465 41 HG21 VAL 6 3HG2 VAL 6 -10.209 6.039 -6.554 42 HG22 VAL 6 1HG2 VAL 6 -9.703 4.384 -6.898 43 HG23 VAL 6 2HG2 VAL 6 -11.392 4.853 -7.107 44 H VAL 7 H VAL 7 -7.626 6.482 -6.450 45 HA VAL 7 HA VAL 7 -5.336 4.855 -7.084 46 HB VAL 7 HB VAL 7 -4.758 5.179 -4.699 47 HG11 VAL 7 1HG1 VAL 7 -4.474 7.596 -4.820 48 HG12 VAL 7 2HG1 VAL 7 -5.760 7.720 -6.020 49 HG13 VAL 7 3HG1 VAL 7 -4.246 6.914 -6.430 50 HG21 VAL 7 3HG2 VAL 7 -6.267 6.648 -3.344 51 HG22 VAL 7 1HG2 VAL 7 -7.000 5.093 -3.736 52 HG23 VAL 7 2HG2 VAL 7 -7.471 6.541 -4.628 53 H LYS 8 H LYS 8 -4.777 3.139 -5.259 54 HA LYS 8 HA LYS 8 -6.964 1.161 -5.326 55 HB2 LYS 8 2HB LYS 8 -4.639 0.639 -6.229 56 HB3 LYS 8 1HB LYS 8 -4.082 0.693 -4.558 57 HG2 LYS 8 2HG LYS 8 -4.565 -1.597 -4.972 58 HG3 LYS 8 1HG LYS 8 -5.913 -0.993 -4.015 59 HD2 LYS 8 2HD LYS 8 -6.519 -0.575 -6.831 60 HD3 LYS 8 1HD LYS 8 -6.025 -2.248 -6.600 61 HE2 LYS 8 2HE LYS 8 -7.684 -2.420 -4.724 62 HE3 LYS 8 1HE LYS 8 -8.238 -0.793 -5.120 63 HZ1 LYS 8 3HZ LYS 8 -8.985 -3.203 -6.313 64 HZ2 LYS 8 1HZ LYS 8 -8.130 -2.311 -7.476 65 HZ3 LYS 8 2HZ LYS 8 -9.491 -1.632 -6.718 66 H THR 9 H THR 9 -7.684 0.118 -3.483 67 HA THR 9 HA THR 9 -6.543 0.755 -0.883 68 HB THR 9 HB THR 9 -9.406 1.513 -1.513 69 HG1 THR 9 1HG THR 9 -7.029 2.862 -1.664 70 HG21 THR 9 3HG2 THR 9 -9.246 2.544 0.772 71 HG22 THR 9 1HG2 THR 9 -7.682 1.752 0.965 72 HG23 THR 9 2HG2 THR 9 -9.146 0.783 0.778 73 H TYR 10 H TYR 10 -6.364 -1.237 -0.084 74 HA TYR 10 HA TYR 10 -8.581 -3.168 -0.465 75 HB2 TYR 10 2HB TYR 10 -5.644 -3.552 0.135 76 HB3 TYR 10 1HB TYR 10 -6.820 -4.850 0.255 77 HD1 TYR 10 2HD TYR 10 -8.478 -4.945 -1.919 78 HD2 TYR 10 1HD TYR 10 -4.454 -3.430 -1.880 79 HE1 TYR 10 2HE TYR 10 -8.303 -5.340 -4.357 80 HE2 TYR 10 1HE TYR 10 -4.285 -3.829 -4.318 81 HH TYR 10 HH TYR 10 -5.687 -5.640 -5.986 82 H ASP 11 H ASP 11 -9.950 -2.830 1.224 83 HA ASP 11 HA ASP 11 -9.070 -2.115 3.842 84 HB2 ASP 11 2HB ASP 11 -11.712 -3.118 2.784 85 HB3 ASP 11 1HB ASP 11 -11.440 -2.663 4.467 86 H LEU 12 H LEU 12 -7.529 -3.698 4.363 87 HA LEU 12 HA LEU 12 -7.914 -6.472 4.382 88 HB2 LEU 12 2HB LEU 12 -6.045 -4.536 5.588 89 HB3 LEU 12 1HB LEU 12 -6.241 -5.993 6.556 90 HG LEU 12 HG LEU 12 -5.530 -7.398 4.744 91 HD11 LEU 12 1HD1 LEU 12 -4.757 -5.995 2.571 92 HD12 LEU 12 2HD1 LEU 12 -6.102 -4.977 3.081 93 HD13 LEU 12 3HD1 LEU 12 -6.367 -6.681 2.717 94 HD21 LEU 12 3HD2 LEU 12 -3.267 -6.640 4.473 95 HD22 LEU 12 1HD2 LEU 12 -3.814 -6.034 6.034 96 HD23 LEU 12 2HD2 LEU 12 -3.747 -4.953 4.640 97 H GLN 13 H GLN 13 -8.161 -7.874 6.279 98 HA GLN 13 HA GLN 13 -10.525 -7.125 7.770 99 HB2 GLN 13 2HB GLN 13 -8.821 -9.613 7.620 100 HB3 GLN 13 1HB GLN 13 -10.121 -9.457 8.802 101 HG2 GLN 13 2HG GLN 13 -10.622 -8.913 5.873 102 HG3 GLN 13 1HG GLN 13 -10.671 -10.557 6.512 103 HE21 GLN 13 1HE2 GLN 13 -11.622 -8.143 8.797 104 HE22 GLN 13 2HE2 GLN 13 -13.303 -8.380 8.667 105 H ASP 14 H ASP 14 -7.118 -7.078 8.275 106 HA ASP 14 HA ASP 14 -7.227 -7.133 11.161 107 HB2 ASP 14 2HB ASP 14 -4.999 -6.318 9.279 108 HB3 ASP 14 1HB ASP 14 -4.834 -6.555 11.020 109 H GLY 15 H GLY 15 -8.607 -5.010 9.333 110 HA2 GLY 15 2HA GLY 15 -9.341 -2.859 9.810 111 HA3 GLY 15 1HA GLY 15 -8.235 -2.823 11.183 112 H SER 16 H SER 16 -6.133 -3.776 9.083 113 HA SER 16 HA SER 16 -5.027 -1.182 8.606 114 HB2 SER 16 2HB SER 16 -3.287 -2.449 7.347 115 HB3 SER 16 1HB SER 16 -3.557 -3.074 8.975 116 HG SER 16 HG SER 16 -5.273 -4.315 7.462 117 H LYS 17 H LYS 17 -4.114 -0.825 6.239 118 HA LYS 17 HA LYS 17 -6.048 -1.512 4.159 119 HB2 LYS 17 2HB LYS 17 -5.547 1.350 5.013 120 HB3 LYS 17 1HB LYS 17 -6.409 0.868 3.552 121 HG2 LYS 17 2HG LYS 17 -7.961 -0.471 5.069 122 HG3 LYS 17 1HG LYS 17 -7.209 0.369 6.422 123 HD2 LYS 17 2HD LYS 17 -7.800 2.547 5.314 124 HD3 LYS 17 1HD LYS 17 -8.705 1.628 4.110 125 HE2 LYS 17 2HE LYS 17 -10.135 0.688 5.865 126 HE3 LYS 17 1HE LYS 17 -9.208 1.541 7.100 127 HZ1 LYS 17 3HZ LYS 17 -11.402 2.538 6.058 128 HZ2 LYS 17 1HZ LYS 17 -10.305 3.126 4.905 129 HZ3 LYS 17 2HZ LYS 17 -10.110 3.528 6.545 130 H VAL 18 H VAL 18 -4.927 -1.984 2.400 131 HA VAL 18 HA VAL 18 -2.156 -1.065 2.143 132 HB VAL 18 HB VAL 18 -3.436 -2.778 0.046 133 HG11 VAL 18 1HG1 VAL 18 -0.826 -3.120 1.524 134 HG12 VAL 18 2HG1 VAL 18 -0.994 -2.072 0.116 135 HG13 VAL 18 3HG1 VAL 18 -1.287 -3.804 -0.034 136 HG21 VAL 18 3HG2 VAL 18 -2.775 -3.783 2.825 137 HG22 VAL 18 1HG2 VAL 18 -3.146 -4.797 1.429 138 HG23 VAL 18 2HG2 VAL 18 -4.381 -3.728 2.095 139 H HIS 19 H HIS 19 -1.374 0.070 0.340 140 HA HIS 19 HA HIS 19 -3.295 1.105 -1.627 141 HB2 HIS 19 2HB HIS 19 -1.820 3.393 -1.130 142 HB3 HIS 19 1HB HIS 19 -3.439 3.094 -0.507 143 HD1 HIS 19 1HD HIS 19 -3.659 3.277 1.937 144 HD2 HIS 19 2HD HIS 19 0.258 2.314 0.855 145 HE1 HIS 19 1HE HIS 19 -2.310 3.258 4.075 146 HE2 HIS 19 2HE HIS 19 0.073 2.652 3.437 147 H VAL 20 H VAL 20 -2.437 0.644 -3.539 148 HA VAL 20 HA VAL 20 0.404 0.145 -3.760 149 HB VAL 20 HB VAL 20 0.000 -0.891 -5.797 150 HG11 VAL 20 1HG1 VAL 20 -1.200 -2.277 -4.345 151 HG12 VAL 20 2HG1 VAL 20 -2.354 -1.983 -5.630 152 HG13 VAL 20 3HG1 VAL 20 -2.491 -1.110 -4.110 153 HG21 VAL 20 3HG2 VAL 20 -0.904 0.861 -7.107 154 HG22 VAL 20 1HG2 VAL 20 -2.328 1.013 -6.078 155 HG23 VAL 20 2HG2 VAL 20 -2.144 -0.391 -7.129 156 H PHE 21 H PHE 21 1.763 1.119 -5.377 157 HA PHE 21 HA PHE 21 1.151 3.990 -5.753 158 HB2 PHE 21 2HB PHE 21 3.807 2.540 -5.856 159 HB3 PHE 21 1HB PHE 21 3.563 4.284 -5.950 160 HD1 PHE 21 1HD PHE 21 3.406 1.320 -3.759 161 HD2 PHE 21 2HD PHE 21 2.946 5.585 -3.988 162 HE1 PHE 21 1HE PHE 21 3.391 1.450 -1.283 163 HE2 PHE 21 2HE PHE 21 2.931 5.714 -1.511 164 HZ PHE 21 HZ PHE 21 3.154 3.648 -0.160 165 H LYS 22 H LYS 22 2.841 4.670 -7.732 166 HA LYS 22 HA LYS 22 1.458 3.873 -10.074 167 HB2 LYS 22 2HB LYS 22 4.118 5.287 -9.770 168 HB3 LYS 22 1HB LYS 22 3.195 5.170 -11.269 169 HG2 LYS 22 2HG LYS 22 1.248 6.220 -9.981 170 HG3 LYS 22 1HG LYS 22 2.418 6.595 -8.717 171 HD2 LYS 22 2HD LYS 22 2.698 7.439 -11.618 172 HD3 LYS 22 1HD LYS 22 2.093 8.480 -10.329 173 HE2 LYS 22 2HE LYS 22 4.296 7.939 -9.101 174 HE3 LYS 22 1HE LYS 22 4.864 7.327 -10.653 175 HZ1 LYS 22 3HZ LYS 22 5.358 9.727 -10.164 176 HZ2 LYS 22 1HZ LYS 22 3.698 10.028 -10.334 177 HZ3 LYS 22 2HZ LYS 22 4.588 9.421 -11.648 178 H ASP 23 H ASP 23 4.244 2.616 -8.433 179 HA ASP 23 HA ASP 23 5.259 1.136 -10.695 180 HB2 ASP 23 2HB ASP 23 5.870 1.001 -7.736 181 HB3 ASP 23 1HB ASP 23 6.709 0.053 -8.964 182 H GLY 24 H GLY 24 2.426 0.806 -9.420 183 HA2 GLY 24 2HA GLY 24 0.911 -0.909 -9.182 184 HA3 GLY 24 1HA GLY 24 2.036 -1.888 -10.120 185 H LYS 25 H LYS 25 3.692 -0.703 -7.511 186 HA LYS 25 HA LYS 25 3.669 -3.284 -6.162 187 HB2 LYS 25 2HB LYS 25 5.199 -0.701 -5.837 188 HB3 LYS 25 1HB LYS 25 5.331 -1.995 -4.654 189 HG2 LYS 25 2HG LYS 25 5.975 -3.563 -6.480 190 HG3 LYS 25 1HG LYS 25 5.934 -2.214 -7.614 191 HD2 LYS 25 2HD LYS 25 7.601 -1.043 -6.079 192 HD3 LYS 25 1HD LYS 25 7.785 -2.590 -5.252 193 HE2 LYS 25 2HE LYS 25 8.485 -3.660 -7.336 194 HE3 LYS 25 1HE LYS 25 8.219 -2.158 -8.223 195 HZ1 LYS 25 3HZ LYS 25 10.211 -1.438 -7.627 196 HZ2 LYS 25 1HZ LYS 25 10.528 -2.951 -6.929 197 HZ3 LYS 25 2HZ LYS 25 9.882 -1.698 -5.981 198 H MET 26 H MET 26 2.936 -3.665 -4.090 199 HA MET 26 HA MET 26 0.758 -2.026 -3.161 200 HB2 MET 26 2HB MET 26 1.878 -4.700 -2.487 201 HB3 MET 26 1HB MET 26 1.029 -3.873 -1.185 202 HG2 MET 26 2HG MET 26 -0.958 -3.651 -2.544 203 HG3 MET 26 1HG MET 26 -0.119 -4.308 -3.954 204 HE1 MET 26 3HE MET 26 -1.805 -5.854 -4.428 205 HE2 MET 26 1HE MET 26 -1.876 -7.494 -3.765 206 HE3 MET 26 2HE MET 26 -0.405 -6.921 -4.555 207 H GLY 27 H GLY 27 0.654 -1.840 -0.639 208 HA2 GLY 27 2HA GLY 27 3.174 -0.995 0.583 209 HA3 GLY 27 1HA GLY 27 1.984 0.275 0.309 210 H MET 28 H MET 28 3.102 -1.826 2.581 211 HA MET 28 HA MET 28 0.542 -2.501 3.799 212 HB2 MET 28 2HB MET 28 2.551 -4.033 3.794 213 HB3 MET 28 1HB MET 28 3.315 -2.917 4.916 214 HG2 MET 28 2HG MET 28 2.267 -4.660 6.200 215 HG3 MET 28 1HG MET 28 1.360 -3.178 6.434 216 HE1 MET 28 3HE MET 28 -0.549 -4.165 7.355 217 HE2 MET 28 1HE MET 28 -1.917 -4.747 6.400 218 HE3 MET 28 2HE MET 28 -1.295 -3.119 6.145 219 H GLU 29 H GLU 29 -0.498 -1.187 5.108 220 HA GLU 29 HA GLU 29 0.974 0.532 6.981 221 HB2 GLU 29 2HB GLU 29 0.594 2.025 5.124 222 HB3 GLU 29 1HB GLU 29 -1.079 1.494 4.980 223 HG2 GLU 29 2HG GLU 29 -0.788 3.715 6.145 224 HG3 GLU 29 1HG GLU 29 -1.666 2.514 7.086 225 H ASN 30 H ASN 30 0.063 0.458 8.955 226 HA ASN 30 HA ASN 30 -2.335 -1.104 9.336 227 HB2 ASN 30 2HB ASN 30 -1.864 -0.971 11.662 228 HB3 ASN 30 1HB ASN 30 -0.308 -1.138 10.853 229 HD21 ASN 30 1HD2 ASN 30 -0.137 -0.065 13.346 230 HD22 ASN 30 2HD2 ASN 30 0.121 1.616 13.278 231 H LYS 31 H LYS 31 -3.551 0.097 11.490 232 HA LYS 31 HA LYS 31 -5.139 2.115 10.162 233 HB2 LYS 31 2HB LYS 31 -6.313 0.491 11.469 234 HB3 LYS 31 1HB LYS 31 -5.308 0.807 12.881 235 HG2 LYS 31 2HG LYS 31 -6.723 3.198 11.781 236 HG3 LYS 31 1HG LYS 31 -7.774 1.962 12.466 237 HD2 LYS 31 2HD LYS 31 -5.350 2.874 14.011 238 HD3 LYS 31 1HD LYS 31 -6.817 3.849 14.027 239 HE2 LYS 31 2HE LYS 31 -6.632 0.922 14.806 240 HE3 LYS 31 1HE LYS 31 -6.802 2.276 15.921 241 HZ1 LYS 31 3HZ LYS 31 -8.966 1.636 15.662 242 HZ2 LYS 31 1HZ LYS 31 -8.762 1.154 14.048 243 HZ3 LYS 31 2HZ LYS 31 -8.852 2.806 14.435 244 H PHE 32 H PHE 32 -2.679 2.023 12.662 245 HA PHE 32 HA PHE 32 -3.165 4.739 13.535 246 HB2 PHE 32 2HB PHE 32 -0.765 2.972 14.053 247 HB3 PHE 32 1HB PHE 32 -1.216 4.428 14.940 248 HD1 PHE 32 1HD PHE 32 -3.704 4.432 15.879 249 HD2 PHE 32 2HD PHE 32 -1.452 0.902 14.919 250 HE1 PHE 32 1HE PHE 32 -5.161 3.096 17.375 251 HE2 PHE 32 2HE PHE 32 -2.911 -0.435 16.413 252 HZ PHE 32 HZ PHE 32 -4.766 0.662 17.641 253 H GLY 33 H GLY 33 -2.370 3.925 10.659 254 HA2 GLY 33 2HA GLY 33 -1.253 4.962 8.934 255 HA3 GLY 33 1HA GLY 33 -0.902 6.277 10.055 256 H LYS 34 H LYS 34 0.157 3.473 11.470 257 HA LYS 34 HA LYS 34 2.935 4.119 10.904 258 HB2 LYS 34 2HB LYS 34 1.951 3.438 13.192 259 HB3 LYS 34 1HB LYS 34 1.970 1.793 12.563 260 HG2 LYS 34 2HG LYS 34 4.389 2.003 12.093 261 HG3 LYS 34 1HG LYS 34 4.368 3.639 12.751 262 HD2 LYS 34 2HD LYS 34 3.715 2.806 14.941 263 HD3 LYS 34 1HD LYS 34 3.557 1.167 14.307 264 HE2 LYS 34 2HE LYS 34 5.701 1.357 15.436 265 HE3 LYS 34 1HE LYS 34 5.989 1.224 13.701 266 HZ1 LYS 34 3HZ LYS 34 5.640 3.924 14.305 267 HZ2 LYS 34 1HZ LYS 34 7.052 3.146 13.779 268 HZ3 LYS 34 2HZ LYS 34 6.736 3.295 15.440 269 H SER 35 H SER 35 4.154 3.151 9.425 270 HA SER 35 HA SER 35 3.118 1.207 7.642 271 HB2 SER 35 2HB SER 35 6.005 1.987 8.105 272 HB3 SER 35 1HB SER 35 5.360 1.167 6.685 273 HG SER 35 HG SER 35 5.600 3.682 6.910 274 H MET 36 H MET 36 2.970 -0.930 7.854 275 HA MET 36 HA MET 36 4.522 -2.272 9.997 276 HB2 MET 36 2HB MET 36 1.861 -2.818 8.693 277 HB3 MET 36 1HB MET 36 2.755 -4.145 9.440 278 HG2 MET 36 2HG MET 36 2.120 -1.550 10.872 279 HG3 MET 36 1HG MET 36 1.106 -2.993 10.972 280 HE1 MET 36 3HE MET 36 1.320 -4.717 12.564 281 HE2 MET 36 1HE MET 36 2.841 -5.465 13.074 282 HE3 MET 36 2HE MET 36 2.393 -5.444 11.369 283 H ASN 37 H ASN 37 6.322 -3.179 9.273 284 HA ASN 37 HA ASN 37 6.822 -3.779 6.549 285 HB2 ASN 37 2HB ASN 37 8.605 -3.262 8.181 286 HB3 ASN 37 1HB ASN 37 8.280 -4.791 8.997 287 HD21 ASN 37 1HD2 ASN 37 8.109 -6.684 7.100 288 HD22 ASN 37 2HD2 ASN 37 9.463 -6.699 6.073 289 H MET 38 H MET 38 5.132 -5.135 5.843 290 HA MET 38 HA MET 38 4.915 -7.798 7.038 291 HB2 MET 38 2HB MET 38 2.820 -6.804 6.472 292 HB3 MET 38 1HB MET 38 3.369 -6.392 4.844 293 HG2 MET 38 2HG MET 38 3.499 -8.768 4.277 294 HG3 MET 38 1HG MET 38 3.113 -9.201 5.933 295 HE1 MET 38 3HE MET 38 -0.530 -8.722 6.400 296 HE2 MET 38 1HE MET 38 0.616 -7.459 6.871 297 HE3 MET 38 2HE MET 38 1.059 -9.161 7.027 298 HA PRO 39 HA PRO 39 7.913 -9.075 3.907 299 HB2 PRO 39 2HB PRO 39 8.068 -11.726 4.493 300 HB3 PRO 39 1HB PRO 39 8.786 -10.481 5.538 301 HG2 PRO 39 2HG PRO 39 6.199 -11.945 5.848 302 HG3 PRO 39 1HG PRO 39 7.416 -11.541 7.072 303 HD2 PRO 39 2HD PRO 39 5.113 -10.086 6.714 304 HD3 PRO 39 1HD PRO 39 6.606 -9.384 7.352 305 H GLU 40 H GLU 40 7.685 -9.641 1.809 306 HA GLU 40 HA GLU 40 5.283 -10.068 0.569 307 HB2 GLU 40 2HB GLU 40 6.528 -10.837 -1.372 308 HB3 GLU 40 1HB GLU 40 7.411 -9.524 -0.592 309 HG2 GLU 40 2HG GLU 40 8.658 -11.400 0.696 310 HG3 GLU 40 1HG GLU 40 8.008 -12.482 -0.538 311 H GLY 41 H GLY 41 3.848 -11.659 0.511 312 HA2 GLY 41 2HA GLY 41 3.533 -14.075 -0.032 313 HA3 GLY 41 1HA GLY 41 4.715 -14.410 1.229 314 H LYS 42 H LYS 42 3.425 -12.057 2.774 315 HA LYS 42 HA LYS 42 1.644 -13.710 4.300 316 HB2 LYS 42 2HB LYS 42 2.780 -10.982 4.503 317 HB3 LYS 42 1HB LYS 42 1.228 -11.196 5.301 318 HG2 LYS 42 2HG LYS 42 3.409 -13.233 5.753 319 HG3 LYS 42 1HG LYS 42 3.476 -11.696 6.609 320 HD2 LYS 42 2HD LYS 42 1.444 -12.078 7.733 321 HD3 LYS 42 1HD LYS 42 0.952 -13.342 6.604 322 HE2 LYS 42 2HE LYS 42 1.677 -14.355 8.713 323 HE3 LYS 42 1HE LYS 42 2.818 -14.768 7.432 324 HZ1 LYS 42 3HZ LYS 42 3.878 -14.026 9.526 325 HZ2 LYS 42 1HZ LYS 42 3.177 -12.498 9.309 326 HZ3 LYS 42 2HZ LYS 42 4.304 -13.081 8.181 327 H VAL 43 H VAL 43 0.183 -14.275 2.659 328 HA VAL 43 HA VAL 43 -1.374 -12.798 1.011 329 HB VAL 43 HB VAL 43 -2.566 -14.942 2.767 330 HG11 VAL 43 1HG1 VAL 43 -2.970 -14.375 -0.176 331 HG12 VAL 43 2HG1 VAL 43 -3.960 -13.628 1.077 332 HG13 VAL 43 3HG1 VAL 43 -3.963 -15.380 0.879 333 HG21 VAL 43 3HG2 VAL 43 -0.600 -15.150 0.479 334 HG22 VAL 43 1HG2 VAL 43 -1.676 -16.480 0.906 335 HG23 VAL 43 2HG2 VAL 43 -0.495 -15.891 2.075 336 H MET 44 H MET 44 -2.659 -11.099 1.222 337 HA MET 44 HA MET 44 -3.848 -10.472 3.863 338 HB2 MET 44 2HB MET 44 -3.435 -8.712 1.432 339 HB3 MET 44 1HB MET 44 -4.079 -8.192 2.981 340 HG2 MET 44 2HG MET 44 -1.954 -8.758 4.065 341 HG3 MET 44 1HG MET 44 -1.319 -9.372 2.540 342 HE1 MET 44 3HE MET 44 -0.726 -6.506 0.308 343 HE2 MET 44 1HE MET 44 -2.451 -6.871 0.386 344 HE3 MET 44 2HE MET 44 -1.268 -8.173 0.480 345 H GLU 45 H GLU 45 -6.103 -9.920 3.939 346 HA GLU 45 HA GLU 45 -7.685 -10.619 1.532 347 HB2 GLU 45 2HB GLU 45 -7.505 -12.599 3.062 348 HB3 GLU 45 1HB GLU 45 -8.307 -11.643 4.310 349 HG2 GLU 45 2HG GLU 45 -10.254 -11.332 2.844 350 HG3 GLU 45 1HG GLU 45 -9.452 -12.246 1.566 351 H THR 46 H THR 46 -9.195 -9.157 1.098 352 HA THR 46 HA THR 46 -9.661 -6.972 2.897 353 HB THR 46 HB THR 46 -11.367 -6.297 1.141 354 HG1 THR 46 1HG THR 46 -10.202 -8.426 -0.298 355 HG21 THR 46 3HG2 THR 46 -8.542 -6.168 1.069 356 HG22 THR 46 1HG2 THR 46 -9.658 -5.210 0.093 357 HG23 THR 46 2HG2 THR 46 -9.019 -6.726 -0.527 358 H ARG 47 H ARG 47 -11.996 -6.253 3.293 359 HA ARG 47 HA ARG 47 -13.236 -8.152 4.980 360 HB2 ARG 47 2HB ARG 47 -15.085 -6.479 5.095 361 HB3 ARG 47 1HB ARG 47 -13.489 -5.807 5.436 362 HG2 ARG 47 2HG ARG 47 -13.321 -4.903 3.195 363 HG3 ARG 47 1HG ARG 47 -14.811 -5.711 2.710 364 HD2 ARG 47 2HD ARG 47 -15.454 -3.478 3.164 365 HD3 ARG 47 1HD ARG 47 -15.956 -4.392 4.581 366 HE ARG 47 HE ARG 47 -13.779 -2.441 4.443 367 HH11 ARG 47 1HH2 ARG 47 -15.426 -4.934 6.200 368 HH12 ARG 47 2HH2 ARG 47 -14.790 -4.457 7.738 369 HH21 ARG 47 1HH1 ARG 47 -12.944 -1.817 6.456 370 HH22 ARG 47 2HH1 ARG 47 -13.385 -2.695 7.882 371 H ASP 48 H ASP 48 -13.720 -7.278 1.628 372 HA ASP 48 HA ASP 48 -16.262 -8.576 1.345 373 HB2 ASP 48 2HB ASP 48 -15.971 -8.218 -1.025 374 HB3 ASP 48 1HB ASP 48 -15.425 -6.771 -0.176 375 H GLY 49 H GLY 49 -12.900 -9.466 0.630 376 HA2 GLY 49 2HA GLY 49 -12.402 -11.871 1.236 377 HA3 GLY 49 1HA GLY 49 -13.766 -12.275 0.194 378 H THR 50 H THR 50 -11.315 -9.769 -0.379 379 HA THR 50 HA THR 50 -10.663 -11.072 -2.945 380 HB THR 50 HB THR 50 -9.691 -8.371 -2.020 381 HG1 THR 50 1HG THR 50 -11.609 -7.721 -3.353 382 HG21 THR 50 3HG2 THR 50 -10.264 -9.565 -4.744 383 HG22 THR 50 1HG2 THR 50 -8.665 -9.361 -4.030 384 HG23 THR 50 2HG2 THR 50 -9.633 -7.946 -4.443 385 H LYS 51 H LYS 51 -8.786 -12.089 -3.274 386 HA LYS 51 HA LYS 51 -6.872 -12.269 -1.081 387 HB2 LYS 51 2HB LYS 51 -7.569 -14.306 -2.257 388 HB3 LYS 51 1HB LYS 51 -6.942 -13.653 -3.773 389 HG2 LYS 51 2HG LYS 51 -4.695 -13.721 -3.002 390 HG3 LYS 51 1HG LYS 51 -5.194 -13.939 -1.324 391 HD2 LYS 51 2HD LYS 51 -4.420 -16.076 -2.209 392 HD3 LYS 51 1HD LYS 51 -6.161 -16.158 -1.939 393 HE2 LYS 51 2HE LYS 51 -6.638 -15.928 -4.256 394 HE3 LYS 51 1HE LYS 51 -4.997 -15.396 -4.622 395 HZ1 LYS 51 3HZ LYS 51 -5.628 -17.806 -5.124 396 HZ2 LYS 51 1HZ LYS 51 -5.508 -18.056 -3.451 397 HZ3 LYS 51 2HZ LYS 51 -4.156 -17.519 -4.327 398 H ILE 52 H ILE 52 -5.441 -10.671 -0.919 399 HA ILE 52 HA ILE 52 -3.979 -9.808 -3.359 400 HB ILE 52 HB ILE 52 -3.579 -7.655 -1.971 401 HG12 ILE 52 2HG1 ILE 52 -5.075 -9.072 -0.048 402 HG13 ILE 52 1HG1 ILE 52 -4.678 -7.364 0.011 403 HG21 ILE 52 1HG2 ILE 52 -5.714 -6.679 -2.809 404 HG22 ILE 52 2HG2 ILE 52 -6.279 -8.313 -3.170 405 HG23 ILE 52 3HG2 ILE 52 -4.869 -7.660 -4.008 406 HD11 ILE 52 3HD1 ILE 52 -6.764 -6.792 -1.054 407 HD12 ILE 52 1HD1 ILE 52 -7.099 -7.845 0.317 408 HD13 ILE 52 2HD1 ILE 52 -7.145 -8.495 -1.320 409 H ILE 53 H ILE 53 -1.920 -10.354 -3.309 410 HA ILE 53 HA ILE 53 -0.685 -11.265 -0.818 411 HB ILE 53 HB ILE 53 0.631 -11.117 -3.530 412 HG12 ILE 53 2HG1 ILE 53 -1.457 -12.261 -3.900 413 HG13 ILE 53 1HG1 ILE 53 -0.189 -13.484 -3.815 414 HG21 ILE 53 1HG2 ILE 53 0.981 -12.894 -1.097 415 HG22 ILE 53 2HG2 ILE 53 2.092 -11.639 -1.647 416 HG23 ILE 53 3HG2 ILE 53 1.851 -13.093 -2.616 417 HD11 ILE 53 3HD1 ILE 53 -0.785 -13.659 -1.310 418 HD12 ILE 53 1HD1 ILE 53 -1.935 -14.342 -2.457 419 HD13 ILE 53 2HD1 ILE 53 -2.249 -12.769 -1.726 420 H MET 54 H MET 54 1.089 -10.304 0.160 421 HA MET 54 HA MET 54 1.321 -7.473 -0.171 422 HB2 MET 54 2HB MET 54 1.712 -8.673 1.997 423 HB3 MET 54 1HB MET 54 3.217 -9.301 1.320 424 HG2 MET 54 2HG MET 54 3.825 -7.334 2.542 425 HG3 MET 54 1HG MET 54 3.865 -6.876 0.850 426 HE1 MET 54 3HE MET 54 2.277 -3.608 1.235 427 HE2 MET 54 1HE MET 54 3.061 -4.761 0.145 428 HE3 MET 54 2HE MET 54 3.824 -4.335 1.676 429 H LYS 55 H LYS 55 1.757 -7.442 -2.454 430 HA LYS 55 HA LYS 55 4.129 -8.517 -3.581 431 HB2 LYS 55 2HB LYS 55 2.349 -7.989 -5.077 432 HB3 LYS 55 1HB LYS 55 2.185 -6.364 -4.428 433 HG2 LYS 55 2HG LYS 55 3.281 -6.396 -6.661 434 HG3 LYS 55 1HG LYS 55 4.317 -5.702 -5.426 435 HD2 LYS 55 2HD LYS 55 5.543 -7.272 -6.900 436 HD3 LYS 55 1HD LYS 55 5.542 -7.820 -5.230 437 HE2 LYS 55 2HE LYS 55 4.987 -9.538 -7.119 438 HE3 LYS 55 1HE LYS 55 3.994 -9.539 -5.665 439 HZ1 LYS 55 3HZ LYS 55 3.186 -7.768 -7.839 440 HZ2 LYS 55 1HZ LYS 55 2.233 -8.654 -6.751 441 HZ3 LYS 55 2HZ LYS 55 2.957 -9.435 -8.073 442 H GLY 56 H GLY 56 3.337 -5.097 -3.309 443 HA2 GLY 56 2HA GLY 56 5.991 -4.174 -3.400 444 HA3 GLY 56 1HA GLY 56 4.592 -3.239 -2.894 445 H ASN 57 H ASN 57 7.142 -5.402 -1.759 446 HA ASN 57 HA ASN 57 6.400 -5.146 1.012 447 HB2 ASN 57 2HB ASN 57 7.655 -7.104 0.308 448 HB3 ASN 57 1HB ASN 57 8.969 -6.088 -0.287 449 HD21 ASN 57 1HD2 ASN 57 7.260 -5.284 2.705 450 HD22 ASN 57 2HD2 ASN 57 8.555 -5.648 3.749 451 H GLU 58 H GLU 58 7.624 -3.021 -1.189 452 HA GLU 58 HA GLU 58 9.511 -1.636 0.538 453 HB2 GLU 58 2HB GLU 58 8.311 -0.856 -2.134 454 HB3 GLU 58 1HB GLU 58 9.618 -0.001 -1.310 455 HG2 GLU 58 2HG GLU 58 10.652 -1.460 -2.913 456 HG3 GLU 58 1HG GLU 58 10.911 -2.183 -1.326 457 H ILE 59 H ILE 59 7.967 -1.364 2.302 458 HA ILE 59 HA ILE 59 5.629 0.239 2.003 459 HB ILE 59 HB ILE 59 5.782 0.354 4.528 460 HG12 ILE 59 2HG1 ILE 59 8.104 -1.548 4.094 461 HG13 ILE 59 1HG1 ILE 59 8.313 0.150 4.528 462 HG21 ILE 59 1HG2 ILE 59 5.523 -2.197 4.731 463 HG22 ILE 59 2HG2 ILE 59 5.862 -2.255 3.003 464 HG23 ILE 59 3HG2 ILE 59 4.455 -1.375 3.597 465 HD11 ILE 59 3HD1 ILE 59 8.190 -1.752 6.395 466 HD12 ILE 59 1HD1 ILE 59 6.454 -1.501 6.207 467 HD13 ILE 59 2HD1 ILE 59 7.498 -0.155 6.670 468 H PHE 60 H PHE 60 8.992 0.959 2.459 469 HA PHE 60 HA PHE 60 8.966 3.425 3.693 470 HB2 PHE 60 2HB PHE 60 11.004 2.191 2.925 471 HB3 PHE 60 1HB PHE 60 10.649 2.723 1.279 472 HD1 PHE 60 1HD PHE 60 11.650 3.813 4.663 473 HD2 PHE 60 2HD PHE 60 10.930 5.040 0.610 474 HE1 PHE 60 1HE PHE 60 12.760 5.983 5.123 475 HE2 PHE 60 2HE PHE 60 12.039 7.211 1.070 476 HZ PHE 60 HZ PHE 60 12.953 7.682 3.326 477 H ARG 61 H ARG 61 7.881 2.571 0.493 478 HA ARG 61 HA ARG 61 7.880 5.054 -0.764 479 HB2 ARG 61 2HB ARG 61 7.321 2.772 -1.757 480 HB3 ARG 61 1HB ARG 61 5.701 3.001 -1.107 481 HG2 ARG 61 2HG ARG 61 5.679 3.781 -3.391 482 HG3 ARG 61 1HG ARG 61 5.584 5.193 -2.345 483 HD2 ARG 61 2HD ARG 61 7.715 5.917 -2.906 484 HD3 ARG 61 1HD ARG 61 8.314 4.286 -3.197 485 HE ARG 61 HE ARG 61 7.161 6.039 -5.137 486 HH11 ARG 61 1HH2 ARG 61 7.427 2.737 -4.134 487 HH12 ARG 61 2HH2 ARG 61 7.198 2.091 -5.724 488 HH21 ARG 61 1HH1 ARG 61 6.858 5.198 -7.225 489 HH22 ARG 61 2HH1 ARG 61 6.875 3.485 -7.474 490 H LEU 62 H LEU 62 5.704 3.803 1.693 491 HA LEU 62 HA LEU 62 3.466 5.382 1.392 492 HB2 LEU 62 2HB LEU 62 4.888 4.688 3.972 493 HB3 LEU 62 1HB LEU 62 3.227 5.260 3.858 494 HG LEU 62 HG LEU 62 4.083 2.829 2.283 495 HD11 LEU 62 1HD1 LEU 62 3.123 2.797 5.161 496 HD12 LEU 62 2HD1 LEU 62 4.778 2.459 4.651 497 HD13 LEU 62 3HD1 LEU 62 3.466 1.389 4.157 498 HD21 LEU 62 3HD2 LEU 62 1.476 3.780 3.516 499 HD22 LEU 62 1HD2 LEU 62 1.681 2.230 2.702 500 HD23 LEU 62 2HD2 LEU 62 1.875 3.731 1.800 501 H ASP 63 H ASP 63 6.674 6.335 2.404 502 HA ASP 63 HA ASP 63 6.218 8.700 3.747 503 HB2 ASP 63 2HB ASP 63 8.385 9.484 2.696 504 HB3 ASP 63 1HB ASP 63 8.463 7.930 3.521 505 H GLU 64 H GLU 64 7.034 8.660 0.271 506 HA GLU 64 HA GLU 64 4.800 10.199 -0.550 507 HB2 GLU 64 2HB GLU 64 5.896 11.979 0.740 508 HB3 GLU 64 1HB GLU 64 7.382 11.737 -0.179 509 HG2 GLU 64 2HG GLU 64 6.320 12.431 -2.224 510 HG3 GLU 64 1HG GLU 64 4.731 12.434 -1.463 511 H ALA 65 H ALA 65 4.666 10.268 -2.757 512 HA ALA 65 HA ALA 65 6.587 8.693 -4.233 513 HB1 ALA 65 1HB ALA 65 4.207 8.473 -4.724 514 HB2 ALA 65 2HB ALA 65 5.058 9.083 -6.142 515 HB3 ALA 65 3HB ALA 65 4.112 10.184 -5.138 516 H LEU 66 H LEU 66 5.237 11.952 -4.800 517 HA LEU 66 HA LEU 66 6.169 13.852 -5.683 518 HB2 LEU 66 2HB LEU 66 7.824 13.343 -3.778 519 HB3 LEU 66 1HB LEU 66 8.876 12.695 -5.034 520 HG LEU 66 HG LEU 66 8.396 15.005 -6.235 521 HD11 LEU 66 1HD1 LEU 66 8.179 16.842 -4.540 522 HD12 LEU 66 2HD1 LEU 66 7.820 15.623 -3.318 523 HD13 LEU 66 3HD1 LEU 66 6.725 15.857 -4.681 524 HD21 LEU 66 3HD2 LEU 66 10.215 14.676 -3.829 525 HD22 LEU 66 1HD2 LEU 66 10.335 16.003 -4.985 526 HD23 LEU 66 2HD2 LEU 66 10.618 14.344 -5.515 527 H ARG 67 H ARG 67 8.698 11.453 -6.436 528 HA ARG 67 HA ARG 67 9.351 12.301 -8.958 529 HB2 ARG 67 2HB ARG 67 10.177 10.074 -9.398 530 HB3 ARG 67 1HB ARG 67 10.463 10.444 -7.698 531 HG2 ARG 67 2HG ARG 67 8.247 9.284 -7.202 532 HG3 ARG 67 1HG ARG 67 8.280 8.707 -8.869 533 HD2 ARG 67 2HD ARG 67 10.393 8.195 -6.758 534 HD3 ARG 67 1HD ARG 67 9.251 7.015 -7.394 535 HE ARG 67 HE ARG 67 10.708 8.116 -9.545 536 HH11 ARG 67 1HH2 ARG 67 11.105 6.121 -6.745 537 HH12 ARG 67 2HH2 ARG 67 12.411 5.201 -7.417 538 HH21 ARG 67 1HH1 ARG 67 12.420 6.914 -10.432 539 HH22 ARG 67 2HH1 ARG 67 13.155 5.651 -9.502 540 H LYS 68 H LYS 68 8.634 11.938 -11.044 541 HA LYS 68 HA LYS 68 5.811 11.578 -11.369 542 HB2 LYS 68 2HB LYS 68 6.254 11.899 -13.748 543 HB3 LYS 68 1HB LYS 68 7.146 13.093 -12.804 544 HG2 LYS 68 2HG LYS 68 9.116 11.450 -12.876 545 HG3 LYS 68 1HG LYS 68 8.211 10.594 -14.125 546 HD2 LYS 68 2HD LYS 68 8.952 13.533 -14.245 547 HD3 LYS 68 1HD LYS 68 9.822 12.244 -15.076 548 HE2 LYS 68 2HE LYS 68 7.551 11.626 -16.126 549 HE3 LYS 68 1HE LYS 68 6.997 13.198 -15.552 550 HZ1 LYS 68 3HZ LYS 68 8.232 14.283 -17.059 551 HZ2 LYS 68 1HZ LYS 68 8.188 12.812 -17.904 552 HZ3 LYS 68 2HZ LYS 68 9.538 13.200 -16.948 553 H GLY 69 H GLY 69 5.700 10.158 -13.791 554 HA2 GLY 69 2HA GLY 69 6.903 7.585 -13.625 555 HA3 GLY 69 1HA GLY 69 5.274 7.544 -12.956 556 H HIS 70 H HIS 70 3.557 7.465 -14.313 557 HA HIS 70 HA HIS 70 2.402 7.133 -16.272 558 HB2 HIS 70 2HB HIS 70 2.713 9.545 -16.484 559 HB3 HIS 70 1HB HIS 70 4.302 9.297 -17.209 560 HD2 HIS 70 2HD HIS 70 4.214 9.050 -19.962 561 HE1 HIS 70 1HE HIS 70 0.100 8.185 -20.348 562 HE2 HIS 70 2HE HIS 70 2.249 8.624 -21.627 563 H SER 71 H SER 71 2.915 5.058 -16.852 564 HA SER 71 HA SER 71 3.852 3.347 -18.063 565 HB2 SER 71 2HB SER 71 3.206 4.903 -19.926 566 HB3 SER 71 1HB SER 71 4.840 5.557 -19.876 567 HG SER 71 HG SER 71 5.319 3.095 -19.986 568 H GLU 72 H GLU 72 5.406 2.546 -16.712 569 HA GLU 72 HA GLU 72 8.128 2.860 -17.468 570 HB2 GLU 72 2HB GLU 72 8.969 3.838 -15.348 571 HB3 GLU 72 1HB GLU 72 7.970 4.969 -16.260 572 HG2 GLU 72 2HG GLU 72 7.158 5.173 -14.056 573 HG3 GLU 72 1HG GLU 72 6.003 4.082 -14.819 574 H GLY 73 H GLY 73 5.650 1.221 -16.134 575 HA2 GLY 73 2HA GLY 73 7.147 -1.084 -15.521 576 HA3 GLY 73 1HA GLY 73 6.755 -0.259 -14.015 577 H GLY 74 H GLY 74 4.989 -0.859 -17.062 578 HA2 GLY 74 2HA GLY 74 2.455 -1.116 -15.866 579 HA3 GLY 74 1HA GLY 74 2.894 -1.723 -17.460 580 H1 HOH 201 H2 HOH 77 -1.249 6.684 -16.813 581 H2 HOH 201 H1 HOH 77 0.248 6.629 -17.037 Start of MODEL 16 1 H1 VAL 1 1H VAL 1 -4.619 9.365 -13.929 2 H2 VAL 1 2H VAL 1 -4.002 8.218 -12.839 3 HA VAL 1 HA VAL 1 -6.259 7.922 -14.727 4 HB VAL 1 HB VAL 1 -4.889 5.812 -15.232 5 HG11 VAL 1 2HG1 VAL 1 -3.729 8.571 -15.722 6 HG12 VAL 1 3HG1 VAL 1 -4.877 7.712 -16.749 7 HG13 VAL 1 1HG1 VAL 1 -3.225 7.116 -16.584 8 HG21 VAL 1 1HG2 VAL 1 -3.582 6.054 -13.049 9 HG22 VAL 1 2HG2 VAL 1 -2.709 7.373 -13.824 10 HG23 VAL 1 3HG2 VAL 1 -2.613 5.743 -14.488 11 H ASP 2 H ASP 2 -7.486 7.976 -12.524 12 HA ASP 2 HA ASP 2 -8.274 5.305 -11.930 13 HB2 ASP 2 2HB ASP 2 -7.672 5.449 -9.460 14 HB3 ASP 2 1HB ASP 2 -6.335 5.137 -10.566 15 H MET 3 H MET 3 -10.038 6.852 -12.763 16 HA MET 3 HA MET 3 -11.151 8.697 -10.844 17 HB2 MET 3 2HB MET 3 -13.004 8.881 -12.473 18 HB3 MET 3 1HB MET 3 -11.430 9.106 -13.235 19 HG2 MET 3 2HG MET 3 -11.463 6.673 -13.870 20 HG3 MET 3 1HG MET 3 -13.115 6.587 -13.258 21 HE1 MET 3 3HE MET 3 -10.835 7.207 -16.081 22 HE2 MET 3 1HE MET 3 -10.815 8.874 -15.490 23 HE3 MET 3 2HE MET 3 -11.520 8.501 -17.062 24 H SER 4 H SER 4 -11.603 5.347 -11.728 25 HA SER 4 HA SER 4 -14.141 4.863 -10.655 26 HB2 SER 4 2HB SER 4 -11.797 2.957 -10.554 27 HB3 SER 4 1HB SER 4 -13.509 2.545 -10.571 28 HG SER 4 HG SER 4 -12.839 4.171 -12.634 29 H ASN 5 H ASN 5 -10.982 5.054 -9.095 30 HA ASN 5 HA ASN 5 -12.186 5.587 -6.540 31 HB2 ASN 5 2HB ASN 5 -12.314 3.055 -6.776 32 HB3 ASN 5 1HB ASN 5 -10.552 3.056 -6.723 33 HD21 ASN 5 1HD2 ASN 5 -13.464 3.516 -4.803 34 HD22 ASN 5 2HD2 ASN 5 -12.675 3.666 -3.308 35 H VAL 6 H VAL 6 -10.612 6.177 -4.931 36 HA VAL 6 HA VAL 6 -8.455 7.666 -5.920 37 HB VAL 6 HB VAL 6 -7.692 7.524 -3.417 38 HG11 VAL 6 1HG1 VAL 6 -10.396 8.615 -4.258 39 HG12 VAL 6 2HG1 VAL 6 -8.852 9.463 -4.333 40 HG13 VAL 6 3HG1 VAL 6 -9.561 9.058 -2.770 41 HG21 VAL 6 3HG2 VAL 6 -9.289 6.640 -1.879 42 HG22 VAL 6 1HG2 VAL 6 -9.092 5.392 -3.107 43 HG23 VAL 6 2HG2 VAL 6 -10.506 6.442 -3.140 44 H VAL 7 H VAL 7 -6.855 6.753 -7.055 45 HA VAL 7 HA VAL 7 -5.194 5.278 -7.682 46 HB VAL 7 HB VAL 7 -4.718 5.425 -4.694 47 HG11 VAL 7 1HG1 VAL 7 -2.318 4.975 -5.486 48 HG12 VAL 7 2HG1 VAL 7 -3.033 4.458 -7.012 49 HG13 VAL 7 3HG1 VAL 7 -3.424 3.602 -5.521 50 HG21 VAL 7 3HG2 VAL 7 -3.148 7.222 -5.308 51 HG22 VAL 7 1HG2 VAL 7 -4.781 7.620 -5.844 52 HG23 VAL 7 2HG2 VAL 7 -3.590 7.037 -7.007 53 H LYS 8 H LYS 8 -5.446 3.789 -4.517 54 HA LYS 8 HA LYS 8 -7.120 1.616 -5.277 55 HB2 LYS 8 2HB LYS 8 -5.110 1.098 -6.659 56 HB3 LYS 8 1HB LYS 8 -4.155 1.025 -5.185 57 HG2 LYS 8 2HG LYS 8 -5.029 -1.009 -4.530 58 HG3 LYS 8 1HG LYS 8 -6.624 -0.664 -5.212 59 HD2 LYS 8 2HD LYS 8 -4.274 -1.092 -7.058 60 HD3 LYS 8 1HD LYS 8 -5.103 -2.477 -6.359 61 HE2 LYS 8 2HE LYS 8 -7.260 -1.612 -7.257 62 HE3 LYS 8 1HE LYS 8 -6.380 -0.289 -8.026 63 HZ1 LYS 8 3HZ LYS 8 -5.319 -2.923 -8.559 64 HZ2 LYS 8 1HZ LYS 8 -5.592 -1.627 -9.618 65 HZ3 LYS 8 2HZ LYS 8 -6.876 -2.651 -9.185 66 H THR 9 H THR 9 -7.730 0.458 -3.513 67 HA THR 9 HA THR 9 -6.119 0.509 -1.076 68 HB THR 9 HB THR 9 -8.391 1.192 0.135 69 HG1 THR 9 1HG THR 9 -9.037 3.029 -1.512 70 HG21 THR 9 3HG2 THR 9 -6.240 2.416 0.268 71 HG22 THR 9 1HG2 THR 9 -7.618 3.512 0.183 72 HG23 THR 9 2HG2 THR 9 -6.626 3.232 -1.248 73 H TYR 10 H TYR 10 -6.620 -1.110 0.357 74 HA TYR 10 HA TYR 10 -8.773 -2.999 -0.364 75 HB2 TYR 10 2HB TYR 10 -5.859 -3.696 0.061 76 HB3 TYR 10 1HB TYR 10 -7.158 -4.877 0.072 77 HD1 TYR 10 2HD TYR 10 -8.857 -4.550 -2.055 78 HD2 TYR 10 1HD TYR 10 -4.688 -3.491 -1.958 79 HE1 TYR 10 2HE TYR 10 -8.762 -4.681 -4.525 80 HE2 TYR 10 1HE TYR 10 -4.598 -3.630 -4.422 81 HH TYR 10 HH TYR 10 -5.790 -4.657 -6.253 82 H ASP 11 H ASP 11 -10.006 -2.698 1.427 83 HA ASP 11 HA ASP 11 -8.953 -2.237 4.028 84 HB2 ASP 11 2HB ASP 11 -11.678 -3.054 3.022 85 HB3 ASP 11 1HB ASP 11 -11.332 -2.803 4.732 86 H LEU 12 H LEU 12 -7.564 -3.792 4.733 87 HA LEU 12 HA LEU 12 -8.026 -6.598 4.444 88 HB2 LEU 12 2HB LEU 12 -5.985 -4.833 5.620 89 HB3 LEU 12 1HB LEU 12 -6.211 -6.311 6.549 90 HG LEU 12 HG LEU 12 -5.691 -7.688 4.652 91 HD11 LEU 12 1HD1 LEU 12 -6.571 -6.865 2.693 92 HD12 LEU 12 2HD1 LEU 12 -4.944 -6.231 2.492 93 HD13 LEU 12 3HD1 LEU 12 -6.226 -5.188 3.109 94 HD21 LEU 12 3HD2 LEU 12 -3.820 -6.509 5.875 95 HD22 LEU 12 1HD2 LEU 12 -3.784 -5.339 4.553 96 HD23 LEU 12 2HD2 LEU 12 -3.417 -7.033 4.243 97 H GLN 13 H GLN 13 -8.126 -8.069 6.363 98 HA GLN 13 HA GLN 13 -10.439 -7.364 7.947 99 HB2 GLN 13 2HB GLN 13 -8.703 -9.830 7.772 100 HB3 GLN 13 1HB GLN 13 -10.033 -9.684 8.924 101 HG2 GLN 13 2HG GLN 13 -10.415 -9.185 5.967 102 HG3 GLN 13 1HG GLN 13 -10.580 -10.794 6.673 103 HE21 GLN 13 1HE2 GLN 13 -12.919 -10.225 5.718 104 HE22 GLN 13 2HE2 GLN 13 -13.995 -9.532 6.841 105 H ASP 14 H ASP 14 -7.007 -7.336 8.351 106 HA ASP 14 HA ASP 14 -6.968 -7.455 11.212 107 HB2 ASP 14 2HB ASP 14 -4.917 -6.375 9.265 108 HB3 ASP 14 1HB ASP 14 -4.637 -6.689 10.979 109 H GLY 15 H GLY 15 -8.524 -5.321 9.471 110 HA2 GLY 15 2HA GLY 15 -9.413 -3.265 10.096 111 HA3 GLY 15 1HA GLY 15 -8.284 -3.219 11.450 112 H SER 16 H SER 16 -6.263 -3.949 9.103 113 HA SER 16 HA SER 16 -5.404 -1.197 8.726 114 HB2 SER 16 2HB SER 16 -4.232 -3.872 7.954 115 HB3 SER 16 1HB SER 16 -3.506 -2.339 7.473 116 HG SER 16 HG SER 16 -3.785 -3.494 10.013 117 H LYS 17 H LYS 17 -4.259 -1.191 6.261 118 HA LYS 17 HA LYS 17 -6.106 -2.066 4.229 119 HB2 LYS 17 2HB LYS 17 -6.723 0.173 3.437 120 HB3 LYS 17 1HB LYS 17 -7.299 -0.092 5.082 121 HG2 LYS 17 2HG LYS 17 -5.194 1.055 5.901 122 HG3 LYS 17 1HG LYS 17 -4.860 1.483 4.225 123 HD2 LYS 17 2HD LYS 17 -5.993 3.355 5.265 124 HD3 LYS 17 1HD LYS 17 -7.097 2.606 4.114 125 HE2 LYS 17 2HE LYS 17 -7.209 1.598 6.932 126 HE3 LYS 17 1HE LYS 17 -7.858 3.209 6.626 127 HZ1 LYS 17 3HZ LYS 17 -9.110 0.808 6.148 128 HZ2 LYS 17 1HZ LYS 17 -8.678 1.385 4.613 129 HZ3 LYS 17 2HZ LYS 17 -9.624 2.347 5.645 130 H VAL 18 H VAL 18 -5.050 -2.332 2.353 131 HA VAL 18 HA VAL 18 -2.243 -1.606 2.243 132 HB VAL 18 HB VAL 18 -3.671 -2.866 -0.072 133 HG11 VAL 18 1HG1 VAL 18 -1.591 -3.969 -0.415 134 HG12 VAL 18 2HG1 VAL 18 -1.038 -3.579 1.214 135 HG13 VAL 18 3HG1 VAL 18 -1.187 -2.304 0.005 136 HG21 VAL 18 3HG2 VAL 18 -4.555 -4.017 1.962 137 HG22 VAL 18 1HG2 VAL 18 -2.897 -4.388 2.431 138 HG23 VAL 18 2HG2 VAL 18 -3.575 -5.073 0.949 139 H HIS 19 H HIS 19 -1.276 -0.397 0.562 140 HA HIS 19 HA HIS 19 -3.012 1.232 -1.166 141 HB2 HIS 19 2HB HIS 19 -2.854 2.858 0.479 142 HB3 HIS 19 1HB HIS 19 -1.347 2.217 1.117 143 HD1 HIS 19 1HD HIS 19 -2.705 4.517 -1.528 144 HD2 HIS 19 2HD HIS 19 1.002 3.225 -0.123 145 HE1 HIS 19 1HE HIS 19 -0.972 6.035 -2.580 146 HE2 HIS 19 2HE HIS 19 1.294 5.261 -1.734 147 H VAL 20 H VAL 20 -2.218 0.944 -3.172 148 HA VAL 20 HA VAL 20 0.607 0.228 -3.494 149 HB VAL 20 HB VAL 20 0.023 -0.865 -5.438 150 HG11 VAL 20 1HG1 VAL 20 -2.808 -0.768 -4.474 151 HG12 VAL 20 2HG1 VAL 20 -1.591 -1.431 -3.405 152 HG13 VAL 20 3HG1 VAL 20 -1.857 -2.157 -4.989 153 HG21 VAL 20 3HG2 VAL 20 -2.129 -0.122 -6.743 154 HG22 VAL 20 1HG2 VAL 20 -0.665 0.852 -6.884 155 HG23 VAL 20 2HG2 VAL 20 -1.967 1.369 -5.817 156 H PHE 21 H PHE 21 1.929 1.200 -5.117 157 HA PHE 21 HA PHE 21 1.511 4.104 -5.283 158 HB2 PHE 21 2HB PHE 21 3.916 2.352 -5.836 159 HB3 PHE 21 1HB PHE 21 3.897 4.104 -6.028 160 HD1 PHE 21 2HD PHE 21 3.111 1.435 -3.518 161 HD2 PHE 21 1HD PHE 21 4.422 5.472 -4.185 162 HE1 PHE 21 2HE PHE 21 3.550 1.693 -1.092 163 HE2 PHE 21 1HE PHE 21 4.860 5.730 -1.758 164 HZ PHE 21 HZ PHE 21 4.423 3.841 -0.213 165 H LYS 22 H LYS 22 3.009 4.720 -7.489 166 HA LYS 22 HA LYS 22 1.153 4.157 -9.620 167 HB2 LYS 22 2HB LYS 22 2.409 6.358 -9.198 168 HB3 LYS 22 1HB LYS 22 3.810 5.556 -9.910 169 HG2 LYS 22 2HG LYS 22 2.282 4.986 -11.891 170 HG3 LYS 22 1HG LYS 22 1.147 6.152 -11.213 171 HD2 LYS 22 2HD LYS 22 4.035 6.768 -11.909 172 HD3 LYS 22 1HD LYS 22 2.652 7.165 -12.929 173 HE2 LYS 22 2HE LYS 22 1.711 8.403 -10.873 174 HE3 LYS 22 1HE LYS 22 3.335 8.264 -10.200 175 HZ1 LYS 22 3HZ LYS 22 2.719 9.452 -12.849 176 HZ2 LYS 22 1HZ LYS 22 4.225 9.433 -12.068 177 HZ3 LYS 22 2HZ LYS 22 2.948 10.353 -11.427 178 H ASP 23 H ASP 23 4.138 2.841 -8.506 179 HA ASP 23 HA ASP 23 4.935 1.671 -11.016 180 HB2 ASP 23 2HB ASP 23 6.581 2.212 -9.265 181 HB3 ASP 23 1HB ASP 23 5.819 1.035 -8.194 182 H GLY 24 H GLY 24 2.451 1.010 -8.920 183 HA2 GLY 24 2HA GLY 24 0.879 -0.717 -9.196 184 HA3 GLY 24 1HA GLY 24 2.091 -1.668 -10.051 185 H LYS 25 H LYS 25 3.949 -0.850 -7.652 186 HA LYS 25 HA LYS 25 3.647 -3.298 -6.221 187 HB2 LYS 25 2HB LYS 25 5.424 -2.428 -4.795 188 HB3 LYS 25 1HB LYS 25 5.794 -2.074 -6.473 189 HG2 LYS 25 2HG LYS 25 4.933 0.224 -6.181 190 HG3 LYS 25 1HG LYS 25 4.550 -0.130 -4.499 191 HD2 LYS 25 2HD LYS 25 6.636 0.868 -4.247 192 HD3 LYS 25 1HD LYS 25 7.105 -0.825 -4.370 193 HE2 LYS 25 2HE LYS 25 7.253 -0.332 -6.943 194 HE3 LYS 25 1HE LYS 25 7.328 1.354 -6.434 195 HZ1 LYS 25 3HZ LYS 25 9.495 0.000 -6.669 196 HZ2 LYS 25 1HZ LYS 25 9.070 -0.642 -5.157 197 HZ3 LYS 25 2HZ LYS 25 9.301 1.033 -5.333 198 H MET 26 H MET 26 2.796 -3.702 -4.179 199 HA MET 26 HA MET 26 0.633 -1.987 -3.359 200 HB2 MET 26 2HB MET 26 1.636 -4.687 -2.599 201 HB3 MET 26 1HB MET 26 0.709 -3.823 -1.376 202 HG2 MET 26 2HG MET 26 -1.173 -3.611 -2.815 203 HG3 MET 26 1HG MET 26 -0.248 -4.126 -4.224 204 HE1 MET 26 3HE MET 26 -1.617 -7.468 -4.516 205 HE2 MET 26 1HE MET 26 -0.126 -6.648 -5.002 206 HE3 MET 26 2HE MET 26 -1.665 -5.786 -5.043 207 H GLY 27 H GLY 27 0.509 -1.975 -0.714 208 HA2 GLY 27 2HA GLY 27 3.005 -1.165 0.524 209 HA3 GLY 27 1HA GLY 27 1.894 0.168 0.220 210 H MET 28 H MET 28 2.877 -1.788 2.584 211 HA MET 28 HA MET 28 0.274 -2.453 3.729 212 HB2 MET 28 2HB MET 28 2.318 -3.961 3.825 213 HB3 MET 28 1HB MET 28 2.999 -2.815 4.970 214 HG2 MET 28 2HG MET 28 1.909 -4.563 6.228 215 HG3 MET 28 1HG MET 28 0.956 -3.093 6.379 216 HE1 MET 28 3HE MET 28 -1.802 -3.525 6.305 217 HE2 MET 28 1HE MET 28 -0.688 -4.411 7.355 218 HE3 MET 28 2HE MET 28 -1.976 -5.262 6.515 219 H GLU 29 H GLU 29 -0.456 -0.234 3.965 220 HA GLU 29 HA GLU 29 0.864 1.290 6.137 221 HB2 GLU 29 2HB GLU 29 0.495 2.473 3.981 222 HB3 GLU 29 1HB GLU 29 -1.239 2.196 4.154 223 HG2 GLU 29 2HG GLU 29 -1.278 3.471 6.232 224 HG3 GLU 29 1HG GLU 29 0.473 3.670 6.176 225 H ASN 30 H ASN 30 0.048 0.576 8.038 226 HA ASN 30 HA ASN 30 -2.642 -0.343 8.356 227 HB2 ASN 30 2HB ASN 30 -2.108 -0.539 10.699 228 HB3 ASN 30 1HB ASN 30 -0.712 -1.083 9.767 229 HD21 ASN 30 1HD2 ASN 30 0.134 -0.428 12.165 230 HD22 ASN 30 2HD2 ASN 30 0.771 1.148 12.259 231 H LYS 31 H LYS 31 -4.224 0.628 9.820 232 HA LYS 31 HA LYS 31 -4.624 3.400 9.202 233 HB2 LYS 31 2HB LYS 31 -6.759 3.167 10.184 234 HB3 LYS 31 1HB LYS 31 -6.432 1.602 9.445 235 HG2 LYS 31 2HG LYS 31 -6.159 2.308 12.391 236 HG3 LYS 31 1HG LYS 31 -7.352 1.235 11.663 237 HD2 LYS 31 2HD LYS 31 -5.420 -0.195 10.848 238 HD3 LYS 31 1HD LYS 31 -4.369 0.783 11.873 239 HE2 LYS 31 2HE LYS 31 -5.073 -1.231 13.080 240 HE3 LYS 31 1HE LYS 31 -5.774 0.201 13.835 241 HZ1 LYS 31 3HZ LYS 31 -7.806 -0.531 13.402 242 HZ2 LYS 31 1HZ LYS 31 -7.128 -2.005 12.910 243 HZ3 LYS 31 2HZ LYS 31 -7.445 -0.792 11.762 244 H PHE 32 H PHE 32 -2.672 1.981 11.424 245 HA PHE 32 HA PHE 32 -3.224 3.701 13.685 246 HB2 PHE 32 2HB PHE 32 -2.177 1.306 13.676 247 HB3 PHE 32 1HB PHE 32 -0.668 2.146 13.313 248 HD1 PHE 32 1HD PHE 32 -3.610 2.451 15.632 249 HD2 PHE 32 2HD PHE 32 0.641 2.828 15.134 250 HE1 PHE 32 1HE PHE 32 -3.378 3.034 18.032 251 HE2 PHE 32 2HE PHE 32 0.870 3.409 17.534 252 HZ PHE 32 HZ PHE 32 -1.139 3.512 18.983 253 H GLY 33 H GLY 33 -1.805 4.192 10.728 254 HA2 GLY 33 2HA GLY 33 -0.786 6.126 9.927 255 HA3 GLY 33 1HA GLY 33 -0.615 6.693 11.588 256 H LYS 34 H LYS 34 0.477 3.536 11.343 257 HA LYS 34 HA LYS 34 3.294 4.398 10.940 258 HB2 LYS 34 2HB LYS 34 2.345 2.195 12.781 259 HB3 LYS 34 1HB LYS 34 3.978 2.844 12.642 260 HG2 LYS 34 2HG LYS 34 1.564 4.452 13.535 261 HG3 LYS 34 1HG LYS 34 2.743 3.729 14.628 262 HD2 LYS 34 2HD LYS 34 4.517 5.038 13.253 263 HD3 LYS 34 1HD LYS 34 3.150 5.972 12.648 264 HE2 LYS 34 2HE LYS 34 4.164 7.054 14.625 265 HE3 LYS 34 1HE LYS 34 2.506 6.550 14.952 266 HZ1 LYS 34 3HZ LYS 34 3.183 5.114 16.492 267 HZ2 LYS 34 1HZ LYS 34 4.680 5.908 16.445 268 HZ3 LYS 34 2HZ LYS 34 4.435 4.504 15.519 269 H SER 35 H SER 35 4.216 3.465 9.246 270 HA SER 35 HA SER 35 2.999 1.490 7.660 271 HB2 SER 35 2HB SER 35 5.897 2.337 7.847 272 HB3 SER 35 1HB SER 35 5.249 1.288 6.592 273 HG SER 35 HG SER 35 4.288 3.890 7.204 274 H MET 36 H MET 36 2.921 -0.670 7.794 275 HA MET 36 HA MET 36 4.465 -2.008 9.935 276 HB2 MET 36 2HB MET 36 1.917 -2.703 8.473 277 HB3 MET 36 1HB MET 36 2.792 -3.892 9.440 278 HG2 MET 36 2HG MET 36 1.937 -1.193 10.518 279 HG3 MET 36 1HG MET 36 0.950 -2.650 10.671 280 HE1 MET 36 3HE MET 36 2.071 -0.913 13.241 281 HE2 MET 36 1HE MET 36 2.183 -2.361 14.250 282 HE3 MET 36 2HE MET 36 0.871 -2.195 13.085 283 H ASN 37 H ASN 37 6.046 -3.399 9.449 284 HA ASN 37 HA ASN 37 6.768 -3.799 6.671 285 HB2 ASN 37 2HB ASN 37 8.553 -3.350 8.215 286 HB3 ASN 37 1HB ASN 37 8.048 -4.669 9.268 287 HD21 ASN 37 1HD2 ASN 37 7.694 -5.521 5.972 288 HD22 ASN 37 2HD2 ASN 37 9.134 -6.414 5.812 289 H MET 38 H MET 38 5.099 -5.117 5.854 290 HA MET 38 HA MET 38 4.779 -7.793 7.018 291 HB2 MET 38 2HB MET 38 2.722 -6.676 6.414 292 HB3 MET 38 1HB MET 38 3.311 -6.375 4.776 293 HG2 MET 38 2HG MET 38 3.332 -8.750 4.299 294 HG3 MET 38 1HG MET 38 2.986 -9.134 5.976 295 HE1 MET 38 3HE MET 38 0.614 -9.613 6.830 296 HE2 MET 38 1HE MET 38 -0.654 -8.412 6.535 297 HE3 MET 38 2HE MET 38 0.905 -7.913 7.190 298 HA PRO 39 HA PRO 39 7.850 -9.041 3.939 299 HB2 PRO 39 2HB PRO 39 7.763 -11.762 4.310 300 HB3 PRO 39 1HB PRO 39 8.607 -10.654 5.414 301 HG2 PRO 39 2HG PRO 39 5.906 -11.900 5.687 302 HG3 PRO 39 1HG PRO 39 7.167 -11.663 6.912 303 HD2 PRO 39 2HD PRO 39 5.002 -10.021 6.708 304 HD3 PRO 39 1HD PRO 39 6.571 -9.445 7.288 305 H GLU 40 H GLU 40 7.866 -9.866 1.839 306 HA GLU 40 HA GLU 40 5.391 -9.916 0.482 307 HB2 GLU 40 2HB GLU 40 7.416 -9.192 -0.641 308 HB3 GLU 40 1HB GLU 40 8.147 -10.783 -0.408 309 HG2 GLU 40 2HG GLU 40 6.582 -11.823 -1.878 310 HG3 GLU 40 1HG GLU 40 5.554 -10.390 -1.911 311 H GLY 41 H GLY 41 3.959 -11.488 0.943 312 HA2 GLY 41 2HA GLY 41 3.683 -13.862 -0.119 313 HA3 GLY 41 1HA GLY 41 4.862 -14.285 1.118 314 H LYS 42 H LYS 42 3.467 -12.022 2.761 315 HA LYS 42 HA LYS 42 1.780 -13.805 4.234 316 HB2 LYS 42 2HB LYS 42 2.718 -11.000 4.501 317 HB3 LYS 42 1HB LYS 42 1.183 -11.354 5.285 318 HG2 LYS 42 2HG LYS 42 3.504 -13.238 5.703 319 HG3 LYS 42 1HG LYS 42 3.469 -11.716 6.585 320 HD2 LYS 42 2HD LYS 42 1.474 -12.248 7.707 321 HD3 LYS 42 1HD LYS 42 1.059 -13.520 6.556 322 HE2 LYS 42 2HE LYS 42 3.373 -13.595 8.517 323 HE3 LYS 42 1HE LYS 42 1.863 -14.495 8.673 324 HZ1 LYS 42 3HZ LYS 42 2.746 -15.081 6.159 325 HZ2 LYS 42 1HZ LYS 42 2.871 -16.085 7.520 326 HZ3 LYS 42 2HZ LYS 42 4.168 -15.077 7.088 327 H VAL 43 H VAL 43 0.061 -14.496 3.186 328 HA VAL 43 HA VAL 43 -1.486 -13.248 1.287 329 HB VAL 43 HB VAL 43 -2.385 -15.199 3.419 330 HG11 VAL 43 1HG1 VAL 43 -3.679 -14.223 0.860 331 HG12 VAL 43 2HG1 VAL 43 -4.351 -14.191 2.490 332 HG13 VAL 43 3HG1 VAL 43 -4.147 -15.728 1.652 333 HG21 VAL 43 3HG2 VAL 43 -0.621 -16.160 2.108 334 HG22 VAL 43 1HG2 VAL 43 -1.273 -15.484 0.616 335 HG23 VAL 43 2HG2 VAL 43 -2.125 -16.792 1.439 336 H MET 44 H MET 44 -2.758 -11.556 1.262 337 HA MET 44 HA MET 44 -3.790 -10.426 3.797 338 HB2 MET 44 2HB MET 44 -3.116 -9.204 1.115 339 HB3 MET 44 1HB MET 44 -3.985 -8.332 2.375 340 HG2 MET 44 2HG MET 44 -2.026 -8.869 3.905 341 HG3 MET 44 1HG MET 44 -1.177 -9.451 2.477 342 HE1 MET 44 3HE MET 44 -2.568 -7.091 0.294 343 HE2 MET 44 1HE MET 44 -1.172 -8.179 0.315 344 HE3 MET 44 2HE MET 44 -0.936 -6.439 0.167 345 H GLU 45 H GLU 45 -5.988 -10.357 4.053 346 HA GLU 45 HA GLU 45 -7.683 -11.044 1.702 347 HB2 GLU 45 2HB GLU 45 -7.464 -12.876 3.394 348 HB3 GLU 45 1HB GLU 45 -8.201 -11.798 4.584 349 HG2 GLU 45 2HG GLU 45 -10.222 -11.617 3.246 350 HG3 GLU 45 1HG GLU 45 -9.486 -12.555 1.944 351 H THR 46 H THR 46 -9.100 -9.549 1.155 352 HA THR 46 HA THR 46 -9.636 -7.299 2.913 353 HB THR 46 HB THR 46 -10.654 -6.277 1.035 354 HG1 THR 46 1HG THR 46 -11.404 -7.421 -0.671 355 HG21 THR 46 3HG2 THR 46 -8.910 -6.367 -0.576 356 HG22 THR 46 1HG2 THR 46 -8.540 -8.047 -0.192 357 HG23 THR 46 2HG2 THR 46 -8.142 -6.773 0.958 358 H ARG 47 H ARG 47 -11.853 -6.536 3.280 359 HA ARG 47 HA ARG 47 -13.450 -8.469 4.547 360 HB2 ARG 47 2HB ARG 47 -14.188 -5.710 3.540 361 HB3 ARG 47 1HB ARG 47 -15.168 -6.679 4.646 362 HG2 ARG 47 2HG ARG 47 -13.430 -6.650 6.322 363 HG3 ARG 47 1HG ARG 47 -12.294 -5.894 5.204 364 HD2 ARG 47 2HD ARG 47 -13.122 -4.145 6.615 365 HD3 ARG 47 1HD ARG 47 -13.904 -3.940 5.052 366 HE ARG 47 HE ARG 47 -15.177 -4.784 7.543 367 HH11 ARG 47 1HH2 ARG 47 -15.345 -4.437 4.100 368 HH12 ARG 47 2HH2 ARG 47 -17.075 -4.485 4.045 369 HH21 ARG 47 1HH1 ARG 47 -17.444 -4.848 7.472 370 HH22 ARG 47 2HH1 ARG 47 -18.262 -4.718 5.951 371 H ASP 48 H ASP 48 -13.599 -7.055 1.314 372 HA ASP 48 HA ASP 48 -16.090 -8.178 0.554 373 HB2 ASP 48 2HB ASP 48 -15.042 -6.331 -0.685 374 HB3 ASP 48 1HB ASP 48 -13.720 -7.399 -1.166 375 H GLY 49 H GLY 49 -13.201 -9.640 1.322 376 HA2 GLY 49 2HA GLY 49 -12.711 -11.917 1.333 377 HA3 GLY 49 1HA GLY 49 -14.088 -12.197 0.267 378 H THR 50 H THR 50 -11.513 -9.854 -0.343 379 HA THR 50 HA THR 50 -10.851 -11.299 -2.830 380 HB THR 50 HB THR 50 -9.966 -8.536 -1.978 381 HG1 THR 50 1HG THR 50 -12.178 -8.511 -2.102 382 HG21 THR 50 3HG2 THR 50 -8.641 -9.580 -3.760 383 HG22 THR 50 1HG2 THR 50 -9.617 -8.262 -4.409 384 HG23 THR 50 2HG2 THR 50 -10.116 -9.935 -4.659 385 H LYS 51 H LYS 51 -9.181 -12.649 -2.750 386 HA LYS 51 HA LYS 51 -7.211 -12.501 -0.640 387 HB2 LYS 51 2HB LYS 51 -7.942 -14.685 -1.391 388 HB3 LYS 51 1HB LYS 51 -7.456 -14.317 -3.050 389 HG2 LYS 51 2HG LYS 51 -5.139 -14.270 -2.457 390 HG3 LYS 51 1HG LYS 51 -5.511 -14.268 -0.732 391 HD2 LYS 51 2HD LYS 51 -6.364 -16.528 -0.845 392 HD3 LYS 51 1HD LYS 51 -6.239 -16.537 -2.604 393 HE2 LYS 51 2HE LYS 51 -3.928 -16.333 -0.651 394 HE3 LYS 51 1HE LYS 51 -4.336 -17.736 -1.640 395 HZ1 LYS 51 3HZ LYS 51 -3.465 -15.067 -2.597 396 HZ2 LYS 51 1HZ LYS 51 -4.038 -16.296 -3.615 397 HZ3 LYS 51 2HZ LYS 51 -2.611 -16.531 -2.722 398 H ILE 52 H ILE 52 -5.714 -10.964 -0.748 399 HA ILE 52 HA ILE 52 -4.295 -10.519 -3.319 400 HB ILE 52 HB ILE 52 -3.761 -8.219 -2.101 401 HG12 ILE 52 2HG1 ILE 52 -6.479 -8.884 -0.939 402 HG13 ILE 52 1HG1 ILE 52 -4.998 -8.969 -0.007 403 HG21 ILE 52 1HG2 ILE 52 -6.489 -8.783 -3.277 404 HG22 ILE 52 2HG2 ILE 52 -5.025 -8.491 -4.219 405 HG23 ILE 52 3HG2 ILE 52 -5.688 -7.213 -3.199 406 HD11 ILE 52 3HD1 ILE 52 -5.877 -6.805 0.421 407 HD12 ILE 52 1HD1 ILE 52 -6.264 -6.550 -1.278 408 HD13 ILE 52 2HD1 ILE 52 -4.585 -6.542 -0.744 409 H ILE 53 H ILE 53 -2.038 -10.281 -3.209 410 HA ILE 53 HA ILE 53 -0.807 -11.373 -0.738 411 HB ILE 53 HB ILE 53 0.391 -11.256 -3.511 412 HG12 ILE 53 2HG1 ILE 53 -1.608 -12.608 -3.659 413 HG13 ILE 53 1HG1 ILE 53 -0.221 -13.696 -3.608 414 HG21 ILE 53 1HG2 ILE 53 1.053 -12.814 -0.998 415 HG22 ILE 53 2HG2 ILE 53 2.007 -11.512 -1.709 416 HG23 ILE 53 3HG2 ILE 53 1.840 -13.049 -2.558 417 HD11 ILE 53 3HD1 ILE 53 -0.640 -13.737 -1.034 418 HD12 ILE 53 1HD1 ILE 53 -1.726 -14.660 -2.071 419 HD13 ILE 53 2HD1 ILE 53 -2.230 -13.094 -1.440 420 H MET 54 H MET 54 0.963 -10.356 0.178 421 HA MET 54 HA MET 54 1.112 -7.516 -0.206 422 HB2 MET 54 2HB MET 54 1.503 -8.623 1.994 423 HB3 MET 54 1HB MET 54 2.982 -9.334 1.347 424 HG2 MET 54 2HG MET 54 3.713 -7.393 2.496 425 HG3 MET 54 1HG MET 54 3.704 -6.916 0.808 426 HE1 MET 54 3HE MET 54 2.228 -3.614 1.247 427 HE2 MET 54 1HE MET 54 2.963 -4.791 0.151 428 HE3 MET 54 2HE MET 54 3.768 -4.364 1.659 429 H LYS 55 H LYS 55 1.625 -7.379 -2.449 430 HA LYS 55 HA LYS 55 4.017 -8.507 -3.535 431 HB2 LYS 55 2HB LYS 55 1.928 -7.761 -4.806 432 HB3 LYS 55 1HB LYS 55 2.530 -6.114 -4.619 433 HG2 LYS 55 2HG LYS 55 4.667 -6.810 -5.689 434 HG3 LYS 55 1HG LYS 55 3.986 -8.412 -5.962 435 HD2 LYS 55 2HD LYS 55 2.544 -5.950 -6.954 436 HD3 LYS 55 1HD LYS 55 3.867 -6.643 -7.888 437 HE2 LYS 55 2HE LYS 55 1.346 -8.095 -7.024 438 HE3 LYS 55 1HE LYS 55 1.737 -7.568 -8.658 439 HZ1 LYS 55 3HZ LYS 55 2.879 -9.761 -7.089 440 HZ2 LYS 55 1HZ LYS 55 3.881 -8.967 -8.205 441 HZ3 LYS 55 2HZ LYS 55 2.449 -9.714 -8.732 442 H GLY 56 H GLY 56 3.178 -5.086 -3.238 443 HA2 GLY 56 2HA GLY 56 5.847 -4.173 -3.343 444 HA3 GLY 56 1HA GLY 56 4.444 -3.218 -2.878 445 H ASN 57 H ASN 57 6.935 -5.414 -1.674 446 HA ASN 57 HA ASN 57 6.185 -5.069 1.091 447 HB2 ASN 57 2HB ASN 57 7.329 -7.106 0.435 448 HB3 ASN 57 1HB ASN 57 8.694 -6.178 -0.192 449 HD21 ASN 57 1HD2 ASN 57 7.045 -5.246 2.805 450 HD22 ASN 57 2HD2 ASN 57 8.333 -5.653 3.840 451 H GLU 58 H GLU 58 7.542 -3.063 -1.150 452 HA GLU 58 HA GLU 58 9.506 -1.761 0.548 453 HB2 GLU 58 2HB GLU 58 8.350 -0.929 -2.124 454 HB3 GLU 58 1HB GLU 58 9.746 -0.202 -1.332 455 HG2 GLU 58 2HG GLU 58 10.837 -2.477 -1.352 456 HG3 GLU 58 1HG GLU 58 9.497 -3.043 -2.349 457 H ILE 59 H ILE 59 7.902 -1.391 2.298 458 HA ILE 59 HA ILE 59 5.757 0.465 1.897 459 HB ILE 59 HB ILE 59 5.794 0.530 4.444 460 HG12 ILE 59 2HG1 ILE 59 7.799 -1.713 4.080 461 HG13 ILE 59 1HG1 ILE 59 8.268 -0.074 4.535 462 HG21 ILE 59 1HG2 ILE 59 4.262 -0.959 3.398 463 HG22 ILE 59 2HG2 ILE 59 5.133 -1.951 4.568 464 HG23 ILE 59 3HG2 ILE 59 5.552 -2.033 2.857 465 HD11 ILE 59 3HD1 ILE 59 7.888 -1.746 6.453 466 HD12 ILE 59 1HD1 ILE 59 6.172 -1.612 6.073 467 HD13 ILE 59 2HD1 ILE 59 7.075 -0.186 6.585 468 H PHE 60 H PHE 60 9.126 0.735 2.877 469 HA PHE 60 HA PHE 60 9.200 3.235 4.026 470 HB2 PHE 60 2HB PHE 60 11.499 3.399 3.228 471 HB3 PHE 60 1HB PHE 60 11.165 1.760 3.778 472 HD1 PHE 60 1HD PHE 60 11.404 3.912 0.745 473 HD2 PHE 60 2HD PHE 60 11.315 -0.094 2.295 474 HE1 PHE 60 1HE PHE 60 12.035 3.034 -1.485 475 HE2 PHE 60 2HE PHE 60 11.946 -0.971 0.063 476 HZ PHE 60 HZ PHE 60 12.305 0.592 -1.827 477 H ARG 61 H ARG 61 8.660 2.398 0.681 478 HA ARG 61 HA ARG 61 9.261 4.778 -0.609 479 HB2 ARG 61 2HB ARG 61 8.508 2.645 -1.701 480 HB3 ARG 61 1HB ARG 61 6.864 3.031 -1.198 481 HG2 ARG 61 2HG ARG 61 7.159 3.793 -3.482 482 HG3 ARG 61 1HG ARG 61 7.045 5.204 -2.434 483 HD2 ARG 61 2HD ARG 61 9.787 4.123 -2.968 484 HD3 ARG 61 1HD ARG 61 8.980 4.975 -4.280 485 HE ARG 61 HE ARG 61 8.765 6.495 -1.897 486 HH11 ARG 61 1HH2 ARG 61 11.033 5.432 -4.285 487 HH12 ARG 61 2HH2 ARG 61 12.071 6.808 -4.111 488 HH21 ARG 61 1HH1 ARG 61 10.121 8.301 -1.663 489 HH22 ARG 61 2HH1 ARG 61 11.555 8.432 -2.627 490 H LEU 62 H LEU 62 6.345 3.892 1.203 491 HA LEU 62 HA LEU 62 4.689 6.021 0.605 492 HB2 LEU 62 2HB LEU 62 4.182 4.034 2.109 493 HB3 LEU 62 1HB LEU 62 5.038 4.892 3.385 494 HG LEU 62 HG LEU 62 3.425 6.885 2.773 495 HD11 LEU 62 1HD1 LEU 62 1.171 6.000 2.065 496 HD12 LEU 62 2HD1 LEU 62 1.953 4.475 1.659 497 HD13 LEU 62 3HD1 LEU 62 2.389 5.948 0.794 498 HD21 LEU 62 3HD2 LEU 62 1.785 6.048 4.404 499 HD22 LEU 62 1HD2 LEU 62 3.422 5.643 4.919 500 HD23 LEU 62 2HD2 LEU 62 2.394 4.407 4.191 501 H ASP 63 H ASP 63 7.558 5.953 2.598 502 HA ASP 63 HA ASP 63 7.208 8.337 4.039 503 HB2 ASP 63 2HB ASP 63 9.010 6.651 4.436 504 HB3 ASP 63 1HB ASP 63 9.816 7.229 2.979 505 H GLU 64 H GLU 64 6.746 10.261 3.184 506 HA GLU 64 HA GLU 64 6.778 12.101 1.807 507 HB2 GLU 64 2HB GLU 64 9.608 11.150 1.297 508 HB3 GLU 64 1HB GLU 64 8.981 12.758 0.934 509 HG2 GLU 64 2HG GLU 64 8.952 11.541 3.706 510 HG3 GLU 64 1HG GLU 64 10.235 12.599 3.121 511 H ALA 65 H ALA 65 5.402 11.832 0.146 512 HA ALA 65 HA ALA 65 6.416 11.217 -2.451 513 HB1 ALA 65 1HB ALA 65 5.029 9.219 -2.885 514 HB2 ALA 65 2HB ALA 65 4.556 9.190 -1.186 515 HB3 ALA 65 3HB ALA 65 6.238 8.915 -1.638 516 H LEU 66 H LEU 66 4.824 13.213 -0.910 517 HA LEU 66 HA LEU 66 2.968 14.543 -1.168 518 HB2 LEU 66 2HB LEU 66 4.175 14.622 -3.457 519 HB3 LEU 66 1HB LEU 66 2.887 13.559 -4.016 520 HG LEU 66 HG LEU 66 1.300 15.371 -2.905 521 HD11 LEU 66 1HD1 LEU 66 2.272 17.665 -3.173 522 HD12 LEU 66 2HD1 LEU 66 3.852 16.929 -3.434 523 HD13 LEU 66 3HD1 LEU 66 3.037 16.743 -1.882 524 HD21 LEU 66 3HD2 LEU 66 2.783 15.807 -5.517 525 HD22 LEU 66 1HD2 LEU 66 1.282 16.619 -5.070 526 HD23 LEU 66 2HD2 LEU 66 1.305 14.871 -5.295 527 H ARG 67 H ARG 67 1.111 13.573 -3.562 528 HA ARG 67 HA ARG 67 -0.167 11.221 -2.606 529 HB2 ARG 67 2HB ARG 67 -0.793 12.764 -0.761 530 HB3 ARG 67 1HB ARG 67 -1.571 13.820 -1.942 531 HG2 ARG 67 2HG ARG 67 -3.133 12.071 -2.565 532 HG3 ARG 67 1HG ARG 67 -2.293 10.903 -1.543 533 HD2 ARG 67 2HD ARG 67 -4.325 11.791 -0.436 534 HD3 ARG 67 1HD ARG 67 -2.864 12.202 0.454 535 HE ARG 67 HE ARG 67 -3.462 14.296 -1.347 536 HH11 ARG 67 1HH2 ARG 67 -4.632 12.760 1.524 537 HH12 ARG 67 2HH2 ARG 67 -5.382 14.191 2.149 538 HH21 ARG 67 1HH1 ARG 67 -4.443 16.177 -0.533 539 HH22 ARG 67 2HH1 ARG 67 -5.276 16.125 0.985 540 H LYS 68 H LYS 68 -0.785 14.364 -4.166 541 HA LYS 68 HA LYS 68 -2.845 13.673 -5.867 542 HB2 LYS 68 2HB LYS 68 -1.760 15.953 -5.572 543 HB3 LYS 68 1HB LYS 68 -0.525 15.412 -6.710 544 HG2 LYS 68 2HG LYS 68 -2.454 14.820 -8.290 545 HG3 LYS 68 1HG LYS 68 -3.487 15.752 -7.205 546 HD2 LYS 68 2HD LYS 68 -1.039 16.769 -8.676 547 HD3 LYS 68 1HD LYS 68 -2.716 17.204 -9.005 548 HE2 LYS 68 2HE LYS 68 -1.026 17.924 -6.615 549 HE3 LYS 68 1HE LYS 68 -1.930 18.995 -7.686 550 HZ1 LYS 68 3HZ LYS 68 -2.865 17.385 -5.446 551 HZ2 LYS 68 1HZ LYS 68 -3.904 17.498 -6.782 552 HZ3 LYS 68 2HZ LYS 68 -3.389 18.908 -5.985 553 H GLY 69 H GLY 69 -3.016 12.753 -7.892 554 HA2 GLY 69 2HA GLY 69 -0.833 11.987 -9.526 555 HA3 GLY 69 1HA GLY 69 -1.340 10.614 -8.546 556 H HIS 70 H HIS 70 -2.119 12.669 -11.215 557 HA HIS 70 HA HIS 70 -3.937 10.781 -12.323 558 HB2 HIS 70 2HB HIS 70 -5.455 11.707 -10.632 559 HB3 HIS 70 1HB HIS 70 -5.147 13.335 -11.237 560 HD2 HIS 70 2HD HIS 70 -6.861 14.079 -13.279 561 HE1 HIS 70 1HE HIS 70 -8.235 10.228 -14.329 562 HE2 HIS 70 2HE HIS 70 -8.498 12.713 -14.785 563 H SER 71 H SER 71 -1.702 13.026 -12.639 564 HA SER 71 HA SER 71 -2.083 13.370 -15.437 565 HB2 SER 71 2HB SER 71 -3.726 15.028 -14.804 566 HB3 SER 71 1HB SER 71 -2.603 15.768 -13.666 567 HG SER 71 HG SER 71 -2.727 15.916 -16.436 568 H GLU 72 H GLU 72 -0.763 15.782 -13.214 569 HA GLU 72 HA GLU 72 1.729 15.948 -14.489 570 HB2 GLU 72 2HB GLU 72 0.703 17.623 -12.881 571 HB3 GLU 72 1HB GLU 72 1.233 16.566 -11.574 572 HG2 GLU 72 2HG GLU 72 2.968 18.193 -11.873 573 HG3 GLU 72 1HG GLU 72 3.566 16.689 -12.570 574 H GLY 73 H GLY 73 2.438 13.778 -14.796 575 HA2 GLY 73 2HA GLY 73 2.877 11.945 -12.678 576 HA3 GLY 73 1HA GLY 73 3.618 11.872 -14.273 577 H GLY 74 H GLY 74 5.593 12.990 -14.645 578 HA2 GLY 74 2HA GLY 74 6.977 14.542 -12.759 579 HA3 GLY 74 1HA GLY 74 7.453 12.863 -12.530 580 H1 HOH 201 H2 HOH 77 -7.912 10.794 -10.625 581 H2 HOH 201 H1 HOH 77 -6.993 10.252 -9.553 Start of MODEL 17 1 H1 VAL 1 1H VAL 1 -1.844 13.310 -10.114 2 H2 VAL 1 2H VAL 1 -0.444 12.727 -10.871 3 HA VAL 1 HA VAL 1 -1.373 11.034 -9.465 4 HB VAL 1 HB VAL 1 0.617 10.552 -8.110 5 HG11 VAL 1 2HG1 VAL 1 0.739 10.215 -10.538 6 HG12 VAL 1 3HG1 VAL 1 2.302 10.745 -9.914 7 HG13 VAL 1 1HG1 VAL 1 1.255 11.887 -10.756 8 HG21 VAL 1 1HG2 VAL 1 1.475 13.384 -8.784 9 HG22 VAL 1 2HG2 VAL 1 2.417 12.199 -7.888 10 HG23 VAL 1 3HG2 VAL 1 0.940 12.856 -7.193 11 H ASP 2 H ASP 2 -2.849 13.351 -8.702 12 HA ASP 2 HA ASP 2 -3.618 12.620 -6.080 13 HB2 ASP 2 2HB ASP 2 -2.964 14.922 -5.065 14 HB3 ASP 2 1HB ASP 2 -1.727 13.672 -5.180 15 H MET 3 H MET 3 -3.619 14.874 -8.735 16 HA MET 3 HA MET 3 -5.847 16.446 -7.910 17 HB2 MET 3 2HB MET 3 -4.697 15.903 -10.658 18 HB3 MET 3 1HB MET 3 -5.941 17.104 -10.316 19 HG2 MET 3 2HG MET 3 -3.836 18.264 -10.301 20 HG3 MET 3 1HG MET 3 -4.351 18.119 -8.621 21 HE1 MET 3 3HE MET 3 -0.589 17.789 -8.142 22 HE2 MET 3 1HE MET 3 -2.084 18.681 -7.831 23 HE3 MET 3 2HE MET 3 -1.323 18.757 -9.417 24 H SER 4 H SER 4 -5.537 13.675 -10.131 25 HA SER 4 HA SER 4 -8.282 13.486 -10.775 26 HB2 SER 4 2HB SER 4 -6.137 11.350 -10.763 27 HB3 SER 4 1HB SER 4 -7.723 11.187 -11.513 28 HG SER 4 HG SER 4 -5.831 11.956 -12.832 29 H ASN 5 H ASN 5 -6.832 13.115 -7.833 30 HA ASN 5 HA ASN 5 -7.469 12.186 -5.833 31 HB2 ASN 5 2HB ASN 5 -10.169 11.923 -7.176 32 HB3 ASN 5 1HB ASN 5 -9.850 11.946 -5.442 33 HD21 ASN 5 1HD2 ASN 5 -11.412 13.891 -7.230 34 HD22 ASN 5 2HD2 ASN 5 -10.731 15.406 -6.883 35 H VAL 6 H VAL 6 -6.998 10.470 -8.475 36 HA VAL 6 HA VAL 6 -8.258 7.969 -7.925 37 HB VAL 6 HB VAL 6 -7.394 8.614 -10.164 38 HG11 VAL 6 1HG1 VAL 6 -4.658 8.069 -8.984 39 HG12 VAL 6 2HG1 VAL 6 -5.302 9.695 -9.214 40 HG13 VAL 6 3HG1 VAL 6 -5.032 8.648 -10.607 41 HG21 VAL 6 3HG2 VAL 6 -6.004 6.158 -9.051 42 HG22 VAL 6 1HG2 VAL 6 -6.515 6.426 -10.719 43 HG23 VAL 6 2HG2 VAL 6 -7.721 6.215 -9.449 44 H VAL 7 H VAL 7 -7.570 6.243 -6.753 45 HA VAL 7 HA VAL 7 -4.885 5.922 -5.827 46 HB VAL 7 HB VAL 7 -5.528 7.730 -4.308 47 HG11 VAL 7 1HG1 VAL 7 -8.002 7.235 -4.461 48 HG12 VAL 7 2HG1 VAL 7 -7.421 7.531 -2.822 49 HG13 VAL 7 3HG1 VAL 7 -7.736 5.881 -3.362 50 HG21 VAL 7 3HG2 VAL 7 -5.613 5.094 -2.813 51 HG22 VAL 7 1HG2 VAL 7 -4.960 6.631 -2.245 52 HG23 VAL 7 2HG2 VAL 7 -4.138 5.745 -3.529 53 H LYS 8 H LYS 8 -4.563 3.938 -4.750 54 HA LYS 8 HA LYS 8 -6.778 2.020 -5.103 55 HB2 LYS 8 2HB LYS 8 -4.380 1.737 -6.091 56 HB3 LYS 8 1HB LYS 8 -3.922 1.292 -4.448 57 HG2 LYS 8 2HG LYS 8 -4.481 -0.792 -5.315 58 HG3 LYS 8 1HG LYS 8 -6.023 -0.314 -4.613 59 HD2 LYS 8 2HD LYS 8 -6.716 -0.966 -6.741 60 HD3 LYS 8 1HD LYS 8 -6.428 0.749 -7.023 61 HE2 LYS 8 2HE LYS 8 -4.068 0.120 -7.739 62 HE3 LYS 8 1HE LYS 8 -4.590 -1.564 -7.693 63 HZ1 LYS 8 3HZ LYS 8 -6.515 -0.681 -9.157 64 HZ2 LYS 8 1HZ LYS 8 -5.004 -0.994 -9.863 65 HZ3 LYS 8 2HZ LYS 8 -5.451 0.601 -9.486 66 H THR 9 H THR 9 -7.576 0.794 -3.424 67 HA THR 9 HA THR 9 -6.319 0.910 -0.797 68 HB THR 9 HB THR 9 -9.112 1.996 -1.194 69 HG1 THR 9 1HG THR 9 -8.199 3.965 -0.826 70 HG21 THR 9 3HG2 THR 9 -8.812 0.878 0.952 71 HG22 THR 9 1HG2 THR 9 -8.847 2.623 1.201 72 HG23 THR 9 2HG2 THR 9 -7.310 1.759 1.230 73 H TYR 10 H TYR 10 -6.491 -1.026 0.109 74 HA TYR 10 HA TYR 10 -8.800 -2.769 -0.585 75 HB2 TYR 10 2HB TYR 10 -6.087 -3.706 0.354 76 HB3 TYR 10 1HB TYR 10 -7.390 -4.673 -0.292 77 HD1 TYR 10 2HD TYR 10 -8.031 -2.639 -2.647 78 HD2 TYR 10 1HD TYR 10 -4.440 -4.515 -1.193 79 HE1 TYR 10 2HE TYR 10 -7.034 -2.475 -4.895 80 HE2 TYR 10 1HE TYR 10 -3.453 -4.348 -3.458 81 HH TYR 10 HH TYR 10 -5.250 -2.847 -6.148 82 H ASP 11 H ASP 11 -10.092 -2.052 1.131 83 HA ASP 11 HA ASP 11 -9.302 -1.702 3.781 84 HB2 ASP 11 2HB ASP 11 -11.926 -2.615 2.597 85 HB3 ASP 11 1HB ASP 11 -11.706 -2.274 4.313 86 H LEU 12 H LEU 12 -7.910 -3.239 4.553 87 HA LEU 12 HA LEU 12 -8.222 -6.025 4.235 88 HB2 LEU 12 2HB LEU 12 -6.356 -4.241 5.466 89 HB3 LEU 12 1HB LEU 12 -6.791 -5.435 6.684 90 HG LEU 12 HG LEU 12 -6.218 -7.252 5.123 91 HD11 LEU 12 1HD1 LEU 12 -6.301 -5.097 3.157 92 HD12 LEU 12 2HD1 LEU 12 -6.256 -6.839 2.909 93 HD13 LEU 12 3HD1 LEU 12 -4.754 -5.942 3.082 94 HD21 LEU 12 3HD2 LEU 12 -3.991 -5.206 5.207 95 HD22 LEU 12 1HD2 LEU 12 -3.827 -6.962 5.197 96 HD23 LEU 12 2HD2 LEU 12 -4.495 -6.148 6.613 97 H GLN 13 H GLN 13 -8.536 -7.576 6.034 98 HA GLN 13 HA GLN 13 -11.078 -7.045 7.306 99 HB2 GLN 13 2HB GLN 13 -10.869 -9.377 8.118 100 HB3 GLN 13 1HB GLN 13 -10.626 -9.253 6.372 101 HG2 GLN 13 2HG GLN 13 -8.167 -9.209 6.742 102 HG3 GLN 13 1HG GLN 13 -8.444 -9.420 8.472 103 HE21 GLN 13 1HE2 GLN 13 -10.333 -11.021 5.897 104 HE22 GLN 13 2HE2 GLN 13 -9.824 -12.598 6.287 105 H ASP 14 H ASP 14 -7.811 -6.627 8.155 106 HA ASP 14 HA ASP 14 -8.334 -6.794 11.053 107 HB2 ASP 14 2HB ASP 14 -5.793 -6.244 11.091 108 HB3 ASP 14 1HB ASP 14 -6.302 -7.847 10.560 109 H GLY 15 H GLY 15 -9.257 -4.639 9.052 110 HA2 GLY 15 2HA GLY 15 -9.816 -2.410 9.397 111 HA3 GLY 15 1HA GLY 15 -8.802 -2.408 10.840 112 H SER 16 H SER 16 -6.609 -3.614 9.037 113 HA SER 16 HA SER 16 -5.218 -1.202 8.538 114 HB2 SER 16 2HB SER 16 -4.696 -3.939 7.357 115 HB3 SER 16 1HB SER 16 -3.549 -2.604 7.442 116 HG SER 16 HG SER 16 -4.317 -2.812 9.855 117 H LYS 17 H LYS 17 -4.341 -0.583 6.357 118 HA LYS 17 HA LYS 17 -6.265 -1.058 4.157 119 HB2 LYS 17 2HB LYS 17 -5.188 1.668 4.922 120 HB3 LYS 17 1HB LYS 17 -6.316 1.302 3.619 121 HG2 LYS 17 2HG LYS 17 -8.013 0.601 5.202 122 HG3 LYS 17 1HG LYS 17 -6.879 0.737 6.543 123 HD2 LYS 17 2HD LYS 17 -8.390 2.699 6.417 124 HD3 LYS 17 1HD LYS 17 -6.701 3.151 6.195 125 HE2 LYS 17 2HE LYS 17 -8.490 4.120 4.553 126 HE3 LYS 17 1HE LYS 17 -6.967 3.525 3.895 127 HZ1 LYS 17 3HZ LYS 17 -9.305 2.756 2.966 128 HZ2 LYS 17 1HZ LYS 17 -9.139 1.598 4.195 129 HZ3 LYS 17 2HZ LYS 17 -7.956 1.723 2.981 130 H VAL 18 H VAL 18 -5.225 -1.704 2.400 131 HA VAL 18 HA VAL 18 -2.335 -1.366 2.170 132 HB VAL 18 HB VAL 18 -4.057 -2.615 0.043 133 HG11 VAL 18 1HG1 VAL 18 -1.505 -2.266 -0.075 134 HG12 VAL 18 2HG1 VAL 18 -2.125 -3.873 -0.456 135 HG13 VAL 18 3HG1 VAL 18 -1.406 -3.556 1.123 136 HG21 VAL 18 3HG2 VAL 18 -4.796 -3.531 2.289 137 HG22 VAL 18 1HG2 VAL 18 -3.144 -4.101 2.520 138 HG23 VAL 18 2HG2 VAL 18 -4.122 -4.729 1.189 139 H HIS 19 H HIS 19 -1.327 -0.375 0.348 140 HA HIS 19 HA HIS 19 -3.008 1.228 -1.452 141 HB2 HIS 19 2HB HIS 19 -0.868 2.977 -0.755 142 HB3 HIS 19 1HB HIS 19 -2.574 3.192 -0.380 143 HD1 HIS 19 1HD HIS 19 -3.360 2.653 2.003 144 HD2 HIS 19 2HD HIS 19 0.703 1.913 1.410 145 HE1 HIS 19 1HE HIS 19 -2.361 2.262 4.294 146 HE2 HIS 19 2HE HIS 19 0.112 1.797 3.948 147 H VAL 20 H VAL 20 -2.365 0.708 -3.419 148 HA VAL 20 HA VAL 20 0.457 -0.048 -3.840 149 HB VAL 20 HB VAL 20 -0.220 -1.597 -5.402 150 HG11 VAL 20 1HG1 VAL 20 -1.902 -2.880 -4.417 151 HG12 VAL 20 2HG1 VAL 20 -2.869 -1.475 -4.001 152 HG13 VAL 20 3HG1 VAL 20 -1.426 -1.829 -3.086 153 HG21 VAL 20 3HG2 VAL 20 -2.502 0.278 -5.974 154 HG22 VAL 20 1HG2 VAL 20 -2.564 -1.399 -6.519 155 HG23 VAL 20 2HG2 VAL 20 -1.271 -0.339 -7.075 156 H PHE 21 H PHE 21 1.703 0.968 -5.320 157 HA PHE 21 HA PHE 21 0.736 3.537 -6.312 158 HB2 PHE 21 2HB PHE 21 3.465 2.237 -6.308 159 HB3 PHE 21 1HB PHE 21 3.135 3.847 -6.950 160 HD1 PHE 21 1HD PHE 21 2.645 1.769 -3.867 161 HD2 PHE 21 2HD PHE 21 3.201 5.705 -5.505 162 HE1 PHE 21 1HE PHE 21 2.783 2.707 -1.575 163 HE2 PHE 21 2HE PHE 21 3.339 6.640 -3.212 164 HZ PHE 21 HZ PHE 21 3.130 5.141 -1.247 165 H LYS 22 H LYS 22 1.573 4.192 -8.542 166 HA LYS 22 HA LYS 22 0.260 2.728 -10.518 167 HB2 LYS 22 2HB LYS 22 0.936 5.125 -10.697 168 HB3 LYS 22 1HB LYS 22 2.602 4.598 -10.935 169 HG2 LYS 22 2HG LYS 22 2.020 3.427 -12.963 170 HG3 LYS 22 1HG LYS 22 0.298 3.686 -12.678 171 HD2 LYS 22 2HD LYS 22 0.620 6.120 -12.892 172 HD3 LYS 22 1HD LYS 22 2.345 5.870 -13.170 173 HE2 LYS 22 2HE LYS 22 1.240 6.145 -15.320 174 HE3 LYS 22 1HE LYS 22 1.775 4.472 -15.165 175 HZ1 LYS 22 3HZ LYS 22 -0.421 3.808 -14.556 176 HZ2 LYS 22 1HZ LYS 22 -0.528 4.711 -15.989 177 HZ3 LYS 22 2HZ LYS 22 -0.960 5.418 -14.505 178 H ASP 23 H ASP 23 3.355 2.235 -9.098 179 HA ASP 23 HA ASP 23 4.484 0.738 -11.289 180 HB2 ASP 23 2HB ASP 23 5.294 0.866 -8.374 181 HB3 ASP 23 1HB ASP 23 6.250 0.159 -9.678 182 H GLY 24 H GLY 24 1.866 0.095 -9.642 183 HA2 GLY 24 2HA GLY 24 0.653 -1.825 -9.285 184 HA3 GLY 24 1HA GLY 24 1.944 -2.718 -10.079 185 H LYS 25 H LYS 25 3.717 -1.237 -7.916 186 HA LYS 25 HA LYS 25 3.959 -3.465 -6.167 187 HB2 LYS 25 2HB LYS 25 4.906 -0.594 -5.935 188 HB3 LYS 25 1HB LYS 25 5.373 -1.868 -4.819 189 HG2 LYS 25 2HG LYS 25 5.751 -2.313 -7.767 190 HG3 LYS 25 1HG LYS 25 6.904 -1.297 -6.911 191 HD2 LYS 25 2HD LYS 25 6.189 -3.998 -5.779 192 HD3 LYS 25 1HD LYS 25 7.339 -3.892 -7.107 193 HE2 LYS 25 2HE LYS 25 8.692 -2.279 -5.768 194 HE3 LYS 25 1HE LYS 25 7.575 -2.499 -4.422 195 HZ1 LYS 25 3HZ LYS 25 8.300 -4.604 -4.035 196 HZ2 LYS 25 1HZ LYS 25 9.736 -3.937 -4.643 197 HZ3 LYS 25 2HZ LYS 25 8.747 -4.882 -5.651 198 H MET 26 H MET 26 3.193 -3.749 -4.064 199 HA MET 26 HA MET 26 0.772 -2.275 -3.411 200 HB2 MET 26 2HB MET 26 1.925 -4.911 -2.751 201 HB3 MET 26 1HB MET 26 1.114 -4.144 -1.388 202 HG2 MET 26 2HG MET 26 -0.930 -3.965 -2.594 203 HG3 MET 26 1HG MET 26 -0.157 -4.385 -4.122 204 HE1 MET 26 3HE MET 26 -1.433 -6.229 -4.918 205 HE2 MET 26 1HE MET 26 -1.063 -7.891 -4.432 206 HE3 MET 26 2HE MET 26 0.229 -6.812 -4.954 207 H GLY 27 H GLY 27 0.519 -2.217 -0.832 208 HA2 GLY 27 2HA GLY 27 2.886 -0.960 0.402 209 HA3 GLY 27 1HA GLY 27 1.384 -0.042 0.305 210 H MET 28 H MET 28 1.883 -0.192 2.770 211 HA MET 28 HA MET 28 -0.014 -2.002 3.889 212 HB2 MET 28 2HB MET 28 2.117 -3.417 3.420 213 HB3 MET 28 1HB MET 28 2.814 -2.548 4.789 214 HG2 MET 28 2HG MET 28 1.877 -4.488 5.755 215 HG3 MET 28 1HG MET 28 0.679 -3.231 6.063 216 HE1 MET 28 3HE MET 28 -1.983 -4.108 5.669 217 HE2 MET 28 1HE MET 28 -0.770 -4.914 6.676 218 HE3 MET 28 2HE MET 28 -1.809 -5.862 5.622 219 H GLU 29 H GLU 29 -0.747 -1.201 5.776 220 HA GLU 29 HA GLU 29 0.941 0.395 7.522 221 HB2 GLU 29 2HB GLU 29 0.042 1.972 5.733 222 HB3 GLU 29 1HB GLU 29 -1.559 1.668 6.406 223 HG2 GLU 29 2HG GLU 29 -0.763 2.424 8.622 224 HG3 GLU 29 1HG GLU 29 0.822 2.759 7.930 225 H ASN 30 H ASN 30 0.496 -0.428 9.454 226 HA ASN 30 HA ASN 30 -1.822 -1.921 10.072 227 HB2 ASN 30 2HB ASN 30 -1.023 -1.680 12.446 228 HB3 ASN 30 1HB ASN 30 0.192 -2.300 11.327 229 HD21 ASN 30 1HD2 ASN 30 1.715 -1.399 13.090 230 HD22 ASN 30 2HD2 ASN 30 2.147 0.244 12.976 231 H LYS 31 H LYS 31 -3.433 -1.400 11.724 232 HA LYS 31 HA LYS 31 -4.938 0.847 11.172 233 HB2 LYS 31 2HB LYS 31 -6.101 0.419 13.310 234 HB3 LYS 31 1HB LYS 31 -5.836 -1.063 12.391 235 HG2 LYS 31 2HG LYS 31 -4.993 -1.872 14.371 236 HG3 LYS 31 1HG LYS 31 -3.535 -1.004 13.897 237 HD2 LYS 31 2HD LYS 31 -3.884 -0.194 16.064 238 HD3 LYS 31 1HD LYS 31 -4.690 1.040 15.100 239 HE2 LYS 31 2HE LYS 31 -6.858 -0.054 15.472 240 HE3 LYS 31 1HE LYS 31 -6.068 -1.336 16.388 241 HZ1 LYS 31 3HZ LYS 31 -5.436 1.328 17.290 242 HZ2 LYS 31 1HZ LYS 31 -5.881 -0.044 18.183 243 HZ3 LYS 31 2HZ LYS 31 -7.077 0.918 17.454 244 H PHE 32 H PHE 32 -2.010 0.681 12.899 245 HA PHE 32 HA PHE 32 -2.447 3.018 14.549 246 HB2 PHE 32 2HB PHE 32 0.035 1.424 13.873 247 HB3 PHE 32 1HB PHE 32 0.018 2.800 14.980 248 HD1 PHE 32 1HD PHE 32 -1.465 2.719 17.029 249 HD2 PHE 32 2HD PHE 32 -0.723 -0.723 14.571 250 HE1 PHE 32 1HE PHE 32 -2.242 1.241 18.863 251 HE2 PHE 32 2HE PHE 32 -1.500 -2.201 16.405 252 HZ PHE 32 HZ PHE 32 -2.258 -1.220 18.551 253 H GLY 33 H GLY 33 -2.222 2.716 11.335 254 HA2 GLY 33 2HA GLY 33 -1.834 4.242 9.651 255 HA3 GLY 33 1HA GLY 33 -1.545 5.454 10.900 256 H LYS 34 H LYS 34 0.401 2.865 11.574 257 HA LYS 34 HA LYS 34 2.758 4.213 10.437 258 HB2 LYS 34 2HB LYS 34 2.554 1.959 12.453 259 HB3 LYS 34 1HB LYS 34 4.033 2.790 11.983 260 HG2 LYS 34 2HG LYS 34 1.709 4.413 13.004 261 HG3 LYS 34 1HG LYS 34 2.710 3.542 14.161 262 HD2 LYS 34 2HD LYS 34 4.045 5.255 12.069 263 HD3 LYS 34 1HD LYS 34 3.332 6.023 13.484 264 HE2 LYS 34 2HE LYS 34 4.683 4.526 14.946 265 HE3 LYS 34 1HE LYS 34 5.444 3.844 13.510 266 HZ1 LYS 34 3HZ LYS 34 6.892 5.497 13.625 267 HZ2 LYS 34 1HZ LYS 34 6.022 6.271 14.859 268 HZ3 LYS 34 2HZ LYS 34 5.638 6.574 13.233 269 H SER 35 H SER 35 4.104 3.279 8.972 270 HA SER 35 HA SER 35 3.111 1.247 7.275 271 HB2 SER 35 2HB SER 35 6.021 1.997 7.478 272 HB3 SER 35 1HB SER 35 5.115 1.490 6.057 273 HG SER 35 HG SER 35 5.447 3.958 7.106 274 H MET 36 H MET 36 2.846 -0.810 7.902 275 HA MET 36 HA MET 36 4.620 -2.013 9.878 276 HB2 MET 36 2HB MET 36 2.043 -2.306 9.704 277 HB3 MET 36 1HB MET 36 2.409 -3.441 8.403 278 HG2 MET 36 2HG MET 36 3.592 -3.625 11.193 279 HG3 MET 36 1HG MET 36 2.176 -4.529 10.657 280 HE1 MET 36 3HE MET 36 3.439 -6.781 11.355 281 HE2 MET 36 1HE MET 36 4.742 -5.716 11.899 282 HE3 MET 36 2HE MET 36 5.106 -7.116 10.894 283 H ASN 37 H ASN 37 6.509 -2.807 9.211 284 HA ASN 37 HA ASN 37 7.154 -3.445 6.543 285 HB2 ASN 37 2HB ASN 37 8.938 -2.917 8.031 286 HB3 ASN 37 1HB ASN 37 8.458 -4.180 9.163 287 HD21 ASN 37 1HD2 ASN 37 8.166 -5.158 5.873 288 HD22 ASN 37 2HD2 ASN 37 9.601 -6.071 5.788 289 H MET 38 H MET 38 5.450 -4.797 5.814 290 HA MET 38 HA MET 38 5.199 -7.454 7.000 291 HB2 MET 38 2HB MET 38 3.150 -6.351 6.305 292 HB3 MET 38 1HB MET 38 3.781 -6.139 4.668 293 HG2 MET 38 2HG MET 38 3.797 -8.505 4.283 294 HG3 MET 38 1HG MET 38 3.496 -8.839 5.980 295 HE1 MET 38 3HE MET 38 1.548 -8.532 7.223 296 HE2 MET 38 1HE MET 38 -0.103 -8.315 6.625 297 HE3 MET 38 2HE MET 38 0.948 -6.920 6.844 298 HA PRO 39 HA PRO 39 8.307 -8.769 3.989 299 HB2 PRO 39 2HB PRO 39 8.337 -11.453 4.527 300 HB3 PRO 39 1HB PRO 39 9.119 -10.250 5.573 301 HG2 PRO 39 2HG PRO 39 6.481 -11.610 5.899 302 HG3 PRO 39 1HG PRO 39 7.713 -11.232 7.118 303 HD2 PRO 39 2HD PRO 39 5.454 -9.723 6.764 304 HD3 PRO 39 1HD PRO 39 6.970 -9.047 7.378 305 H GLU 40 H GLU 40 8.208 -9.416 1.894 306 HA GLU 40 HA GLU 40 5.798 -9.698 0.572 307 HB2 GLU 40 2HB GLU 40 7.792 -9.069 -0.625 308 HB3 GLU 40 1HB GLU 40 8.568 -10.602 -0.224 309 HG2 GLU 40 2HG GLU 40 7.086 -11.834 -1.618 310 HG3 GLU 40 1HG GLU 40 5.988 -10.465 -1.791 311 H GLY 41 H GLY 41 4.368 -11.236 1.256 312 HA2 GLY 41 2HA GLY 41 4.201 -13.715 0.280 313 HA3 GLY 41 1HA GLY 41 5.253 -13.986 1.660 314 H LYS 42 H LYS 42 3.769 -11.770 3.160 315 HA LYS 42 HA LYS 42 1.911 -13.515 4.420 316 HB2 LYS 42 2HB LYS 42 2.973 -10.834 4.913 317 HB3 LYS 42 1HB LYS 42 1.243 -10.884 5.231 318 HG2 LYS 42 2HG LYS 42 1.750 -13.033 6.604 319 HG3 LYS 42 1HG LYS 42 3.438 -12.522 6.520 320 HD2 LYS 42 2HD LYS 42 2.887 -10.412 7.593 321 HD3 LYS 42 1HD LYS 42 1.169 -10.811 7.562 322 HE2 LYS 42 2HE LYS 42 3.177 -12.594 8.939 323 HE3 LYS 42 1HE LYS 42 2.425 -11.233 9.772 324 HZ1 LYS 42 3HZ LYS 42 1.153 -13.212 10.159 325 HZ2 LYS 42 1HZ LYS 42 1.024 -13.520 8.497 326 HZ3 LYS 42 2HZ LYS 42 0.248 -12.167 9.172 327 H VAL 43 H VAL 43 -0.244 -13.728 4.212 328 HA VAL 43 HA VAL 43 -1.410 -12.707 1.761 329 HB VAL 43 HB VAL 43 -2.630 -14.478 3.887 330 HG11 VAL 43 1HG1 VAL 43 -4.323 -13.452 2.474 331 HG12 VAL 43 2HG1 VAL 43 -4.123 -15.130 1.970 332 HG13 VAL 43 3HG1 VAL 43 -3.397 -13.831 1.022 333 HG21 VAL 43 3HG2 VAL 43 -1.081 -15.077 1.352 334 HG22 VAL 43 1HG2 VAL 43 -2.070 -16.276 2.186 335 HG23 VAL 43 2HG2 VAL 43 -0.672 -15.568 2.996 336 H MET 44 H MET 44 -2.613 -10.993 1.568 337 HA MET 44 HA MET 44 -3.748 -9.654 3.943 338 HB2 MET 44 2HB MET 44 -2.872 -8.799 1.191 339 HB3 MET 44 1HB MET 44 -4.139 -7.872 1.982 340 HG2 MET 44 2HG MET 44 -2.578 -6.780 3.229 341 HG3 MET 44 1HG MET 44 -1.966 -8.299 3.865 342 HE1 MET 44 3HE MET 44 -1.661 -7.361 -0.197 343 HE2 MET 44 1HE MET 44 -0.674 -5.950 0.209 344 HE3 MET 44 2HE MET 44 -2.280 -6.132 0.905 345 H GLU 45 H GLU 45 -6.004 -9.240 4.002 346 HA GLU 45 HA GLU 45 -7.625 -10.471 1.843 347 HB2 GLU 45 2HB GLU 45 -7.333 -12.069 3.749 348 HB3 GLU 45 1HB GLU 45 -8.134 -10.892 4.793 349 HG2 GLU 45 2HG GLU 45 -10.152 -10.988 3.463 350 HG3 GLU 45 1HG GLU 45 -9.361 -12.002 2.254 351 H THR 46 H THR 46 -9.075 -9.107 1.104 352 HA THR 46 HA THR 46 -9.750 -6.702 2.589 353 HB THR 46 HB THR 46 -10.664 -5.903 0.590 354 HG1 THR 46 1HG THR 46 -11.930 -7.149 -0.495 355 HG21 THR 46 3HG2 THR 46 -8.168 -6.650 0.530 356 HG22 THR 46 1HG2 THR 46 -8.960 -6.230 -0.990 357 HG23 THR 46 2HG2 THR 46 -8.742 -7.919 -0.542 358 H ARG 47 H ARG 47 -12.051 -6.016 2.734 359 HA ARG 47 HA ARG 47 -13.561 -7.913 4.201 360 HB2 ARG 47 2HB ARG 47 -14.232 -5.204 3.045 361 HB3 ARG 47 1HB ARG 47 -15.405 -6.156 3.960 362 HG2 ARG 47 2HG ARG 47 -13.780 -6.265 5.854 363 HG3 ARG 47 1HG ARG 47 -12.696 -5.211 4.945 364 HD2 ARG 47 2HD ARG 47 -14.223 -3.392 5.025 365 HD3 ARG 47 1HD ARG 47 -15.552 -4.429 5.539 366 HE ARG 47 HE ARG 47 -14.825 -4.130 7.713 367 HH11 ARG 47 1HH2 ARG 47 -12.247 -3.540 5.483 368 HH12 ARG 47 2HH2 ARG 47 -11.121 -3.041 6.702 369 HH21 ARG 47 1HH1 ARG 47 -13.354 -3.481 9.318 370 HH22 ARG 47 2HH1 ARG 47 -11.748 -3.008 8.873 371 H ASP 48 H ASP 48 -13.719 -6.769 0.863 372 HA ASP 48 HA ASP 48 -16.149 -8.039 0.161 373 HB2 ASP 48 2HB ASP 48 -15.135 -6.280 -1.218 374 HB3 ASP 48 1HB ASP 48 -13.769 -7.337 -1.575 375 H GLY 49 H GLY 49 -13.211 -9.334 1.078 376 HA2 GLY 49 2HA GLY 49 -12.630 -11.578 1.285 377 HA3 GLY 49 1HA GLY 49 -14.020 -12.004 0.288 378 H THR 50 H THR 50 -11.256 -9.841 -0.365 379 HA THR 50 HA THR 50 -10.667 -11.447 -2.795 380 HB THR 50 HB THR 50 -10.266 -8.513 -2.186 381 HG1 THR 50 1HG THR 50 -11.827 -8.244 -3.632 382 HG21 THR 50 3HG2 THR 50 -8.318 -9.183 -3.402 383 HG22 THR 50 1HG2 THR 50 -9.406 -8.442 -4.572 384 HG23 THR 50 2HG2 THR 50 -9.266 -10.199 -4.486 385 H LYS 51 H LYS 51 -8.832 -12.560 -2.764 386 HA LYS 51 HA LYS 51 -6.936 -12.229 -0.602 387 HB2 LYS 51 2HB LYS 51 -7.609 -14.458 -1.569 388 HB3 LYS 51 1HB LYS 51 -6.690 -14.034 -3.016 389 HG2 LYS 51 2HG LYS 51 -4.705 -13.613 -1.447 390 HG3 LYS 51 1HG LYS 51 -5.657 -14.416 -0.198 391 HD2 LYS 51 2HD LYS 51 -4.944 -15.632 -2.884 392 HD3 LYS 51 1HD LYS 51 -4.128 -15.994 -1.363 393 HE2 LYS 51 2HE LYS 51 -5.693 -17.734 -1.534 394 HE3 LYS 51 1HE LYS 51 -6.523 -16.578 -0.493 395 HZ1 LYS 51 3HZ LYS 51 -7.094 -15.825 -3.088 396 HZ2 LYS 51 1HZ LYS 51 -8.148 -16.560 -1.979 397 HZ3 LYS 51 2HZ LYS 51 -7.257 -17.517 -3.064 398 H ILE 52 H ILE 52 -5.148 -11.095 -0.620 399 HA ILE 52 HA ILE 52 -3.873 -10.335 -3.172 400 HB ILE 52 HB ILE 52 -3.464 -8.050 -1.817 401 HG12 ILE 52 2HG1 ILE 52 -6.255 -8.795 -0.911 402 HG13 ILE 52 1HG1 ILE 52 -4.855 -9.042 0.116 403 HG21 ILE 52 1HG2 ILE 52 -5.352 -7.066 -3.011 404 HG22 ILE 52 2HG2 ILE 52 -6.076 -8.659 -3.217 405 HG23 ILE 52 3HG2 ILE 52 -4.563 -8.267 -4.036 406 HD11 ILE 52 3HD1 ILE 52 -4.288 -6.621 -0.167 407 HD12 ILE 52 1HD1 ILE 52 -5.836 -6.880 0.629 408 HD13 ILE 52 2HD1 ILE 52 -5.789 -6.421 -1.070 409 H ILE 53 H ILE 53 -1.652 -10.339 -3.082 410 HA ILE 53 HA ILE 53 -0.436 -11.221 -0.521 411 HB ILE 53 HB ILE 53 0.726 -11.452 -3.301 412 HG12 ILE 53 2HG1 ILE 53 -1.341 -12.708 -3.288 413 HG13 ILE 53 1HG1 ILE 53 -0.010 -13.854 -3.138 414 HG21 ILE 53 1HG2 ILE 53 2.099 -13.209 -2.178 415 HG22 ILE 53 2HG2 ILE 53 1.347 -12.772 -0.644 416 HG23 ILE 53 3HG2 ILE 53 2.354 -11.603 -1.495 417 HD11 ILE 53 3HD1 ILE 53 -0.392 -13.608 -0.569 418 HD12 ILE 53 1HD1 ILE 53 -1.536 -14.578 -1.495 419 HD13 ILE 53 2HD1 ILE 53 -1.955 -12.932 -1.026 420 H MET 54 H MET 54 1.273 -10.182 0.335 421 HA MET 54 HA MET 54 1.643 -7.432 -0.219 422 HB2 MET 54 2HB MET 54 2.065 -8.494 1.991 423 HB3 MET 54 1HB MET 54 3.452 -9.338 1.302 424 HG2 MET 54 2HG MET 54 4.445 -7.471 2.306 425 HG3 MET 54 1HG MET 54 4.271 -6.939 0.641 426 HE1 MET 54 3HE MET 54 2.994 -3.593 1.256 427 HE2 MET 54 1HE MET 54 3.515 -4.802 0.079 428 HE3 MET 54 2HE MET 54 4.540 -4.403 1.454 429 H LYS 55 H LYS 55 2.142 -7.236 -2.436 430 HA LYS 55 HA LYS 55 4.439 -8.587 -3.559 431 HB2 LYS 55 2HB LYS 55 2.308 -7.889 -4.801 432 HB3 LYS 55 1HB LYS 55 2.956 -6.251 -4.764 433 HG2 LYS 55 2HG LYS 55 3.815 -6.983 -6.802 434 HG3 LYS 55 1HG LYS 55 5.139 -7.420 -5.727 435 HD2 LYS 55 2HD LYS 55 4.848 -9.416 -6.901 436 HD3 LYS 55 1HD LYS 55 3.817 -9.705 -5.503 437 HE2 LYS 55 2HE LYS 55 2.667 -10.304 -7.610 438 HE3 LYS 55 1HE LYS 55 1.846 -8.977 -6.792 439 HZ1 LYS 55 3HZ LYS 55 2.236 -8.700 -9.249 440 HZ2 LYS 55 1HZ LYS 55 3.886 -8.536 -8.893 441 HZ3 LYS 55 2HZ LYS 55 2.768 -7.420 -8.268 442 H GLY 56 H GLY 56 3.620 -5.152 -3.111 443 HA2 GLY 56 2HA GLY 56 6.349 -4.315 -3.470 444 HA3 GLY 56 1HA GLY 56 4.979 -3.289 -3.066 445 H ASN 57 H ASN 57 7.480 -5.385 -1.750 446 HA ASN 57 HA ASN 57 6.737 -5.022 0.995 447 HB2 ASN 57 2HB ASN 57 8.075 -6.945 0.310 448 HB3 ASN 57 1HB ASN 57 9.369 -5.874 -0.232 449 HD21 ASN 57 1HD2 ASN 57 7.582 -4.998 2.662 450 HD22 ASN 57 2HD2 ASN 57 8.819 -5.380 3.767 451 H GLU 58 H GLU 58 8.226 -3.030 -1.307 452 HA GLU 58 HA GLU 58 9.844 -1.505 0.562 453 HB2 GLU 58 2HB GLU 58 9.136 -1.170 -2.353 454 HB3 GLU 58 1HB GLU 58 10.054 0.044 -1.462 455 HG2 GLU 58 2HG GLU 58 11.725 -1.686 -0.857 456 HG3 GLU 58 1HG GLU 58 10.821 -2.871 -1.798 457 H ILE 59 H ILE 59 7.724 -1.344 1.894 458 HA ILE 59 HA ILE 59 5.759 0.558 1.045 459 HB ILE 59 HB ILE 59 4.809 0.287 3.220 460 HG12 ILE 59 2HG1 ILE 59 7.531 -0.808 4.021 461 HG13 ILE 59 1HG1 ILE 59 6.776 0.672 4.617 462 HG21 ILE 59 1HG2 ILE 59 4.888 -1.719 1.628 463 HG22 ILE 59 2HG2 ILE 59 4.573 -2.086 3.324 464 HG23 ILE 59 3HG2 ILE 59 6.180 -2.350 2.652 465 HD11 ILE 59 3HD1 ILE 59 6.422 -1.000 6.296 466 HD12 ILE 59 1HD1 ILE 59 5.871 -2.173 5.102 467 HD13 ILE 59 2HD1 ILE 59 4.876 -0.769 5.480 468 H PHE 60 H PHE 60 8.917 0.862 2.187 469 HA PHE 60 HA PHE 60 8.947 3.018 3.883 470 HB2 PHE 60 2HB PHE 60 10.834 2.468 1.583 471 HB3 PHE 60 1HB PHE 60 11.161 3.567 2.923 472 HD1 PHE 60 2HD PHE 60 11.325 2.682 5.256 473 HD2 PHE 60 1HD PHE 60 10.997 0.089 1.848 474 HE1 PHE 60 2HE PHE 60 12.105 0.772 6.634 475 HE2 PHE 60 1HE PHE 60 11.776 -1.820 3.224 476 HZ PHE 60 HZ PHE 60 12.330 -1.479 5.618 477 H ARG 61 H ARG 61 8.203 3.019 0.453 478 HA ARG 61 HA ARG 61 8.568 5.781 -0.025 479 HB2 ARG 61 2HB ARG 61 7.070 5.441 -1.966 480 HB3 ARG 61 1HB ARG 61 8.330 4.212 -1.869 481 HG2 ARG 61 2HG ARG 61 6.758 2.639 -0.844 482 HG3 ARG 61 1HG ARG 61 5.494 3.870 -0.846 483 HD2 ARG 61 2HD ARG 61 5.335 3.870 -3.204 484 HD3 ARG 61 1HD ARG 61 6.880 3.051 -3.401 485 HE ARG 61 HE ARG 61 4.319 1.809 -2.754 486 HH11 ARG 61 1HH2 ARG 61 7.769 1.562 -2.925 487 HH12 ARG 61 2HH2 ARG 61 7.778 -0.169 -2.985 488 HH21 ARG 61 1HH1 ARG 61 4.327 -0.456 -2.831 489 HH22 ARG 61 2HH1 ARG 61 5.832 -1.312 -2.929 490 H LEU 62 H LEU 62 5.909 3.956 1.381 491 HA LEU 62 HA LEU 62 3.828 5.767 1.204 492 HB2 LEU 62 2HB LEU 62 4.057 3.389 2.373 493 HB3 LEU 62 1HB LEU 62 4.301 4.360 3.821 494 HG LEU 62 HG LEU 62 1.907 4.432 1.960 495 HD11 LEU 62 1HD1 LEU 62 1.795 2.571 3.476 496 HD12 LEU 62 2HD1 LEU 62 0.741 3.823 4.133 497 HD13 LEU 62 3HD1 LEU 62 2.340 3.563 4.829 498 HD21 LEU 62 3HD2 LEU 62 1.048 6.049 3.787 499 HD22 LEU 62 1HD2 LEU 62 2.204 6.692 2.622 500 HD23 LEU 62 2HD2 LEU 62 2.742 6.234 4.239 501 H ASP 63 H ASP 63 6.334 5.596 3.740 502 HA ASP 63 HA ASP 63 5.472 7.984 5.055 503 HB2 ASP 63 2HB ASP 63 8.153 6.585 5.195 504 HB3 ASP 63 1HB ASP 63 7.536 7.772 6.341 505 H GLU 64 H GLU 64 6.850 9.923 5.287 506 HA GLU 64 HA GLU 64 7.807 11.785 4.337 507 HB2 GLU 64 2HB GLU 64 9.474 9.594 3.084 508 HB3 GLU 64 1HB GLU 64 9.842 11.312 2.918 509 HG2 GLU 64 2HG GLU 64 11.127 10.412 4.778 510 HG3 GLU 64 1HG GLU 64 9.890 11.497 5.409 511 H ALA 65 H ALA 65 8.399 9.767 1.511 512 HA ALA 65 HA ALA 65 7.730 9.980 -0.677 513 HB1 ALA 65 1HB ALA 65 5.572 9.271 0.429 514 HB2 ALA 65 2HB ALA 65 5.373 10.184 -1.067 515 HB3 ALA 65 3HB ALA 65 5.124 10.975 0.489 516 H LEU 66 H LEU 66 8.927 12.283 0.759 517 HA LEU 66 HA LEU 66 9.042 14.620 0.671 518 HB2 LEU 66 2HB LEU 66 9.927 15.264 -1.536 519 HB3 LEU 66 1HB LEU 66 10.638 13.770 -0.949 520 HG LEU 66 HG LEU 66 8.188 13.519 -2.671 521 HD11 LEU 66 1HD1 LEU 66 9.386 15.154 -3.966 522 HD12 LEU 66 2HD1 LEU 66 9.667 13.584 -4.716 523 HD13 LEU 66 3HD1 LEU 66 10.917 14.317 -3.711 524 HD21 LEU 66 3HD2 LEU 66 10.777 11.977 -2.885 525 HD22 LEU 66 1HD2 LEU 66 9.138 11.446 -3.262 526 HD23 LEU 66 2HD2 LEU 66 9.642 11.631 -1.583 527 H ARG 67 H ARG 67 8.429 16.038 -1.927 528 HA ARG 67 HA ARG 67 5.621 15.960 -2.347 529 HB2 ARG 67 2HB ARG 67 5.655 16.900 -0.036 530 HB3 ARG 67 1HB ARG 67 6.605 18.258 -0.640 531 HG2 ARG 67 2HG ARG 67 4.813 18.890 -2.168 532 HG3 ARG 67 1HG ARG 67 3.873 17.474 -1.694 533 HD2 ARG 67 2HD ARG 67 4.704 19.722 0.160 534 HD3 ARG 67 1HD ARG 67 3.095 19.511 -0.523 535 HE ARG 67 HE ARG 67 3.760 17.128 0.785 536 HH11 ARG 67 1HH2 ARG 67 3.248 20.476 1.492 537 HH12 ARG 67 2HH2 ARG 67 2.669 20.190 3.100 538 HH21 ARG 67 1HH1 ARG 67 3.003 16.744 2.891 539 HH22 ARG 67 2HH1 ARG 67 2.531 18.078 3.892 540 H LYS 68 H LYS 68 6.631 15.961 -4.465 541 HA LYS 68 HA LYS 68 7.236 18.704 -5.419 542 HB2 LYS 68 2HB LYS 68 8.623 16.130 -6.211 543 HB3 LYS 68 1HB LYS 68 8.838 17.671 -7.035 544 HG2 LYS 68 2HG LYS 68 9.272 17.498 -4.052 545 HG3 LYS 68 1HG LYS 68 10.538 16.962 -5.152 546 HD2 LYS 68 2HD LYS 68 10.429 19.197 -6.290 547 HD3 LYS 68 1HD LYS 68 9.288 19.724 -5.051 548 HE2 LYS 68 2HE LYS 68 10.943 19.323 -3.302 549 HE3 LYS 68 1HE LYS 68 12.079 18.684 -4.491 550 HZ1 LYS 68 3HZ LYS 68 12.077 21.211 -3.715 551 HZ2 LYS 68 1HZ LYS 68 10.995 21.334 -5.016 552 HZ3 LYS 68 2HZ LYS 68 12.562 20.729 -5.270 553 H GLY 69 H GLY 69 5.366 15.910 -5.648 554 HA2 GLY 69 2HA GLY 69 3.712 15.240 -7.099 555 HA3 GLY 69 1HA GLY 69 3.686 16.908 -7.665 556 H HIS 70 H HIS 70 3.216 14.874 -9.443 557 HA HIS 70 HA HIS 70 5.545 13.956 -10.800 558 HB2 HIS 70 2HB HIS 70 3.969 13.392 -12.626 559 HB3 HIS 70 1HB HIS 70 3.399 12.820 -11.059 560 HD2 HIS 70 2HD HIS 70 2.244 15.184 -13.892 561 HE1 HIS 70 1HE HIS 70 -0.410 15.762 -10.660 562 HE2 HIS 70 2HE HIS 70 0.001 16.270 -13.114 563 H SER 71 H SER 71 6.747 15.993 -10.868 564 HA SER 71 HA SER 71 5.933 18.288 -12.247 565 HB2 SER 71 2HB SER 71 7.963 18.172 -10.843 566 HB3 SER 71 1HB SER 71 8.726 17.136 -12.046 567 HG SER 71 HG SER 71 7.688 19.724 -12.579 568 H GLU 72 H GLU 72 5.965 18.908 -14.363 569 HA GLU 72 HA GLU 72 5.847 18.660 -16.645 570 HB2 GLU 72 2HB GLU 72 8.325 18.563 -16.296 571 HB3 GLU 72 1HB GLU 72 8.203 16.803 -16.239 572 HG2 GLU 72 2HG GLU 72 7.295 16.747 -18.498 573 HG3 GLU 72 1HG GLU 72 7.259 18.507 -18.561 574 H GLY 73 H GLY 73 3.812 17.534 -16.441 575 HA2 GLY 73 2HA GLY 73 3.702 15.121 -17.888 576 HA3 GLY 73 1HA GLY 73 3.530 14.752 -16.175 577 H GLY 74 H GLY 74 2.006 16.030 -18.984 578 HA2 GLY 74 2HA GLY 74 -0.172 17.394 -17.794 579 HA3 GLY 74 1HA GLY 74 -0.144 16.727 -19.424 580 H1 HOH 201 H2 HOH 77 2.237 16.208 -8.736 581 H2 HOH 201 H1 HOH 77 1.404 16.174 -7.471 Start of MODEL 18 1 H1 VAL 1 1H VAL 1 -2.059 16.059 -14.481 2 H2 VAL 1 2H VAL 1 -3.626 16.488 -13.989 3 HA VAL 1 HA VAL 1 -1.114 17.106 -12.533 4 HB VAL 1 HB VAL 1 -1.948 19.492 -13.089 5 HG11 VAL 1 2HG1 VAL 1 0.039 18.440 -14.125 6 HG12 VAL 1 3HG1 VAL 1 -0.835 19.442 -15.284 7 HG13 VAL 1 1HG1 VAL 1 -0.998 17.686 -15.334 8 HG21 VAL 1 1HG2 VAL 1 -4.204 18.553 -13.877 9 HG22 VAL 1 2HG2 VAL 1 -3.355 18.023 -15.329 10 HG23 VAL 1 3HG2 VAL 1 -3.441 19.741 -14.935 11 H ASP 2 H ASP 2 -2.305 15.926 -10.777 12 HA ASP 2 HA ASP 2 -3.714 17.839 -9.136 13 HB2 ASP 2 2HB ASP 2 -5.656 16.179 -8.797 14 HB3 ASP 2 1HB ASP 2 -5.663 17.151 -10.268 15 H MET 3 H MET 3 -3.499 17.374 -6.990 16 HA MET 3 HA MET 3 -1.538 15.538 -6.164 17 HB2 MET 3 2HB MET 3 -2.358 16.040 -3.862 18 HB3 MET 3 1HB MET 3 -2.068 17.490 -4.823 19 HG2 MET 3 2HG MET 3 -4.519 17.479 -5.427 20 HG3 MET 3 1HG MET 3 -4.738 16.181 -4.254 21 HE1 MET 3 3HE MET 3 -2.938 19.663 -4.632 22 HE2 MET 3 1HE MET 3 -3.991 20.613 -3.577 23 HE3 MET 3 2HE MET 3 -4.661 19.787 -4.979 24 H SER 4 H SER 4 -5.009 15.245 -6.506 25 HA SER 4 HA SER 4 -5.613 13.071 -4.927 26 HB2 SER 4 2HB SER 4 -7.260 14.296 -6.313 27 HB3 SER 4 1HB SER 4 -6.586 13.541 -7.756 28 HG SER 4 HG SER 4 -7.534 12.068 -5.529 29 H ASN 5 H ASN 5 -4.413 12.965 -8.288 30 HA ASN 5 HA ASN 5 -3.536 11.213 -9.515 31 HB2 ASN 5 2HB ASN 5 -2.124 10.715 -6.884 32 HB3 ASN 5 1HB ASN 5 -1.582 10.195 -8.479 33 HD21 ASN 5 1HD2 ASN 5 -1.427 12.765 -6.210 34 HD22 ASN 5 2HD2 ASN 5 -0.724 13.923 -7.233 35 H VAL 6 H VAL 6 -2.590 8.693 -8.632 36 HA VAL 6 HA VAL 6 -4.931 7.143 -8.793 37 HB VAL 6 HB VAL 6 -2.666 6.350 -9.438 38 HG11 VAL 6 1HG1 VAL 6 -1.560 7.360 -7.387 39 HG12 VAL 6 2HG1 VAL 6 -1.065 5.709 -7.762 40 HG13 VAL 6 3HG1 VAL 6 -2.218 6.009 -6.461 41 HG21 VAL 6 3HG2 VAL 6 -4.619 4.815 -8.839 42 HG22 VAL 6 1HG2 VAL 6 -3.846 4.599 -7.268 43 HG23 VAL 6 2HG2 VAL 6 -3.016 4.086 -8.736 44 H VAL 7 H VAL 7 -5.825 5.674 -7.216 45 HA VAL 7 HA VAL 7 -5.278 6.222 -4.390 46 HB VAL 7 HB VAL 7 -8.030 6.597 -5.600 47 HG11 VAL 7 1HG1 VAL 7 -8.510 7.406 -3.238 48 HG12 VAL 7 2HG1 VAL 7 -6.954 6.719 -2.772 49 HG13 VAL 7 3HG1 VAL 7 -8.231 5.671 -3.392 50 HG21 VAL 7 3HG2 VAL 7 -7.666 8.961 -4.714 51 HG22 VAL 7 1HG2 VAL 7 -6.705 8.528 -6.128 52 HG23 VAL 7 2HG2 VAL 7 -5.965 8.536 -4.527 53 H LYS 8 H LYS 8 -4.516 4.014 -4.591 54 HA LYS 8 HA LYS 8 -6.606 1.964 -4.953 55 HB2 LYS 8 2HB LYS 8 -4.148 1.985 -5.991 56 HB3 LYS 8 1HB LYS 8 -3.725 1.287 -4.436 57 HG2 LYS 8 2HG LYS 8 -4.192 -0.618 -5.682 58 HG3 LYS 8 1HG LYS 8 -5.764 -0.322 -4.935 59 HD2 LYS 8 2HD LYS 8 -6.513 0.852 -6.979 60 HD3 LYS 8 1HD LYS 8 -4.933 0.587 -7.714 61 HE2 LYS 8 2HE LYS 8 -5.255 -1.818 -7.671 62 HE3 LYS 8 1HE LYS 8 -6.762 -1.637 -6.766 63 HZ1 LYS 8 3HZ LYS 8 -6.231 -0.672 -9.524 64 HZ2 LYS 8 1HZ LYS 8 -7.657 -0.376 -8.654 65 HZ3 LYS 8 2HZ LYS 8 -7.241 -1.966 -9.082 66 H THR 9 H THR 9 -7.375 0.777 -3.286 67 HA THR 9 HA THR 9 -5.931 0.620 -0.769 68 HB THR 9 HB THR 9 -7.290 2.807 -0.781 69 HG1 THR 9 1HG THR 9 -6.485 1.689 1.083 70 HG21 THR 9 3HG2 THR 9 -9.638 2.676 -0.434 71 HG22 THR 9 1HG2 THR 9 -9.580 0.928 -0.198 72 HG23 THR 9 2HG2 THR 9 -9.318 1.612 -1.803 73 H TYR 10 H TYR 10 -6.638 -1.015 0.577 74 HA TYR 10 HA TYR 10 -8.933 -2.655 -0.258 75 HB2 TYR 10 2HB TYR 10 -6.306 -3.968 0.379 76 HB3 TYR 10 1HB TYR 10 -7.736 -4.673 -0.346 77 HD1 TYR 10 1HD TYR 10 -8.529 -3.187 -2.539 78 HD2 TYR 10 2HD TYR 10 -4.506 -3.718 -1.105 79 HE1 TYR 10 1HE TYR 10 -7.652 -2.739 -4.815 80 HE2 TYR 10 2HE TYR 10 -3.645 -3.275 -3.382 81 HH TYR 10 HH TYR 10 -5.744 -3.088 -6.142 82 H ASP 11 H ASP 11 -10.146 -2.544 1.545 83 HA ASP 11 HA ASP 11 -9.156 -2.111 4.147 84 HB2 ASP 11 2HB ASP 11 -11.780 -3.176 3.111 85 HB3 ASP 11 1HB ASP 11 -11.468 -2.936 4.830 86 H LEU 12 H LEU 12 -7.599 -3.538 4.813 87 HA LEU 12 HA LEU 12 -7.805 -6.372 4.496 88 HB2 LEU 12 2HB LEU 12 -5.891 -4.439 5.522 89 HB3 LEU 12 1HB LEU 12 -6.029 -5.782 6.650 90 HG LEU 12 HG LEU 12 -5.597 -7.364 4.778 91 HD11 LEU 12 1HD1 LEU 12 -4.549 -6.206 2.691 92 HD12 LEU 12 2HD1 LEU 12 -5.439 -4.779 3.225 93 HD13 LEU 12 3HD1 LEU 12 -6.304 -6.257 2.806 94 HD21 LEU 12 3HD2 LEU 12 -3.672 -6.820 6.042 95 HD22 LEU 12 1HD2 LEU 12 -3.633 -5.166 5.436 96 HD23 LEU 12 2HD2 LEU 12 -3.163 -6.499 4.384 97 H GLN 13 H GLN 13 -8.098 -7.938 6.155 98 HA GLN 13 HA GLN 13 -10.308 -7.361 7.869 99 HB2 GLN 13 2HB GLN 13 -10.002 -9.687 8.659 100 HB3 GLN 13 1HB GLN 13 -10.047 -9.573 6.899 101 HG2 GLN 13 2HG GLN 13 -8.210 -10.979 7.307 102 HG3 GLN 13 1HG GLN 13 -7.460 -9.408 7.047 103 HE21 GLN 13 1HE2 GLN 13 -9.150 -10.596 9.990 104 HE22 GLN 13 2HE2 GLN 13 -7.794 -10.443 11.009 105 H ASP 14 H ASP 14 -6.942 -7.008 8.196 106 HA ASP 14 HA ASP 14 -6.879 -7.286 11.091 107 HB2 ASP 14 2HB ASP 14 -4.918 -7.909 9.744 108 HB3 ASP 14 1HB ASP 14 -4.792 -6.249 9.159 109 H GLY 15 H GLY 15 -8.414 -5.136 9.384 110 HA2 GLY 15 2HA GLY 15 -9.258 -3.066 10.049 111 HA3 GLY 15 1HA GLY 15 -8.042 -3.007 11.324 112 H SER 16 H SER 16 -5.944 -3.687 9.242 113 HA SER 16 HA SER 16 -5.324 -0.946 8.525 114 HB2 SER 16 2HB SER 16 -3.833 -3.515 7.935 115 HB3 SER 16 1HB SER 16 -3.211 -1.881 7.707 116 HG SER 16 HG SER 16 -4.269 -2.427 10.201 117 H LYS 17 H LYS 17 -4.024 -1.165 6.137 118 HA LYS 17 HA LYS 17 -5.635 -2.467 4.143 119 HB2 LYS 17 2HB LYS 17 -6.376 -0.362 3.030 120 HB3 LYS 17 1HB LYS 17 -7.134 -0.619 4.602 121 HG2 LYS 17 2HG LYS 17 -5.524 0.904 5.653 122 HG3 LYS 17 1HG LYS 17 -4.699 1.119 4.115 123 HD2 LYS 17 2HD LYS 17 -6.225 3.007 4.573 124 HD3 LYS 17 1HD LYS 17 -6.719 2.115 3.137 125 HE2 LYS 17 2HE LYS 17 -8.519 2.763 4.944 126 HE3 LYS 17 1HE LYS 17 -8.574 1.167 4.200 127 HZ1 LYS 17 3HZ LYS 17 -6.944 1.508 6.606 128 HZ2 LYS 17 1HZ LYS 17 -7.829 0.160 6.081 129 HZ3 LYS 17 2HZ LYS 17 -8.632 1.477 6.792 130 H VAL 18 H VAL 18 -4.663 -2.471 2.126 131 HA VAL 18 HA VAL 18 -1.901 -1.420 2.061 132 HB VAL 18 HB VAL 18 -2.437 -3.212 -0.159 133 HG11 VAL 18 1HG1 VAL 18 -0.831 -3.715 2.351 134 HG12 VAL 18 2HG1 VAL 18 -0.254 -2.769 0.989 135 HG13 VAL 18 3HG1 VAL 18 -0.613 -4.478 0.779 136 HG21 VAL 18 3HG2 VAL 18 -3.060 -5.246 0.986 137 HG22 VAL 18 1HG2 VAL 18 -4.287 -4.034 1.332 138 HG23 VAL 18 2HG2 VAL 18 -3.072 -4.419 2.545 139 H HIS 19 H HIS 19 -1.383 0.194 0.734 140 HA HIS 19 HA HIS 19 -3.245 0.893 -1.478 141 HB2 HIS 19 2HB HIS 19 -3.006 3.163 -1.019 142 HB3 HIS 19 1HB HIS 19 -2.947 2.499 0.608 143 HD1 HIS 19 1HD HIS 19 -1.251 4.865 -1.378 144 HD2 HIS 19 2HD HIS 19 0.069 1.873 1.209 145 HE1 HIS 19 1HE HIS 19 1.127 5.461 -0.746 146 HE2 HIS 19 2HE HIS 19 1.945 3.644 0.824 147 H VAL 20 H VAL 20 -2.385 0.457 -3.372 148 HA VAL 20 HA VAL 20 0.504 0.149 -3.618 149 HB VAL 20 HB VAL 20 0.074 -1.316 -5.334 150 HG11 VAL 20 1HG1 VAL 20 -2.729 -1.356 -4.260 151 HG12 VAL 20 2HG1 VAL 20 -1.399 -1.762 -3.213 152 HG13 VAL 20 3HG1 VAL 20 -1.687 -2.712 -4.670 153 HG21 VAL 20 3HG2 VAL 20 -2.201 0.537 -6.037 154 HG22 VAL 20 1HG2 VAL 20 -2.139 -1.095 -6.708 155 HG23 VAL 20 2HG2 VAL 20 -0.831 0.041 -7.029 156 H PHE 21 H PHE 21 1.756 1.082 -5.228 157 HA PHE 21 HA PHE 21 0.936 3.802 -5.954 158 HB2 PHE 21 2HB PHE 21 3.580 2.335 -6.040 159 HB3 PHE 21 1HB PHE 21 3.360 3.981 -6.632 160 HD1 PHE 21 2HD PHE 21 2.870 1.832 -3.608 161 HD2 PHE 21 1HD PHE 21 3.443 5.810 -5.136 162 HE1 PHE 21 2HE PHE 21 3.101 2.691 -1.294 163 HE2 PHE 21 1HE PHE 21 3.673 6.665 -2.820 164 HZ PHE 21 HZ PHE 21 3.502 5.106 -0.899 165 H LYS 22 H LYS 22 2.483 4.224 -8.189 166 HA LYS 22 HA LYS 22 0.847 3.037 -10.243 167 HB2 LYS 22 2HB LYS 22 1.700 5.415 -10.270 168 HB3 LYS 22 1HB LYS 22 3.305 4.760 -10.605 169 HG2 LYS 22 2HG LYS 22 2.516 3.726 -12.654 170 HG3 LYS 22 1HG LYS 22 0.853 4.185 -12.291 171 HD2 LYS 22 2HD LYS 22 1.447 6.558 -12.443 172 HD3 LYS 22 1HD LYS 22 3.133 6.134 -12.739 173 HE2 LYS 22 2HE LYS 22 2.029 6.627 -14.865 174 HE3 LYS 22 1HE LYS 22 2.435 4.912 -14.794 175 HZ1 LYS 22 3HZ LYS 22 0.248 4.319 -14.431 176 HZ2 LYS 22 1HZ LYS 22 0.087 5.600 -15.530 177 HZ3 LYS 22 2HZ LYS 22 -0.200 5.861 -13.877 178 H ASP 23 H ASP 23 3.791 2.250 -8.710 179 HA ASP 23 HA ASP 23 4.987 0.839 -10.925 180 HB2 ASP 23 2HB ASP 23 5.592 0.770 -7.958 181 HB3 ASP 23 1HB ASP 23 6.581 0.023 -9.217 182 H GLY 24 H GLY 24 2.353 0.224 -9.012 183 HA2 GLY 24 2HA GLY 24 0.987 -1.666 -9.042 184 HA3 GLY 24 1HA GLY 24 2.292 -2.574 -9.799 185 H LYS 25 H LYS 25 3.882 -1.174 -7.395 186 HA LYS 25 HA LYS 25 3.849 -3.538 -5.730 187 HB2 LYS 25 2HB LYS 25 5.280 -0.876 -5.622 188 HB3 LYS 25 1HB LYS 25 5.421 -2.051 -4.321 189 HG2 LYS 25 2HG LYS 25 6.167 -3.755 -5.986 190 HG3 LYS 25 1HG LYS 25 6.127 -2.507 -7.230 191 HD2 LYS 25 2HD LYS 25 7.715 -1.159 -5.779 192 HD3 LYS 25 1HD LYS 25 7.891 -2.599 -4.773 193 HE2 LYS 25 2HE LYS 25 8.738 -3.877 -6.654 194 HE3 LYS 25 1HE LYS 25 8.419 -2.539 -7.757 195 HZ1 LYS 25 3HZ LYS 25 10.655 -2.973 -6.050 196 HZ2 LYS 25 1HZ LYS 25 9.944 -1.462 -5.750 197 HZ3 LYS 25 2HZ LYS 25 10.467 -1.857 -7.318 198 H MET 26 H MET 26 3.080 -3.714 -3.633 199 HA MET 26 HA MET 26 0.848 -1.974 -2.959 200 HB2 MET 26 2HB MET 26 1.913 -4.573 -1.863 201 HB3 MET 26 1HB MET 26 0.656 -3.672 -1.019 202 HG2 MET 26 2HG MET 26 -0.857 -3.877 -2.814 203 HG3 MET 26 1HG MET 26 0.403 -4.349 -3.949 204 HE1 MET 26 3HE MET 26 -1.543 -5.767 -4.495 205 HE2 MET 26 1HE MET 26 -1.732 -7.426 -3.909 206 HE3 MET 26 2HE MET 26 -0.277 -6.958 -4.783 207 H GLY 27 H GLY 27 0.779 -2.052 -0.239 208 HA2 GLY 27 2HA GLY 27 3.160 -1.350 1.114 209 HA3 GLY 27 1HA GLY 27 2.382 0.122 0.545 210 H MET 28 H MET 28 2.547 -2.089 3.065 211 HA MET 28 HA MET 28 -0.085 -2.213 4.045 212 HB2 MET 28 2HB MET 28 2.518 -2.101 5.586 213 HB3 MET 28 1HB MET 28 0.964 -2.536 6.278 214 HG2 MET 28 2HG MET 28 2.420 -4.018 4.075 215 HG3 MET 28 1HG MET 28 2.258 -4.551 5.742 216 HE1 MET 28 3HE MET 28 -0.001 -4.542 6.906 217 HE2 MET 28 1HE MET 28 -1.449 -5.270 6.203 218 HE3 MET 28 2HE MET 28 -1.163 -3.541 6.030 219 H GLU 29 H GLU 29 -1.087 -1.046 5.755 220 HA GLU 29 HA GLU 29 -0.009 1.495 6.611 221 HB2 GLU 29 2HB GLU 29 -1.000 2.049 4.388 222 HB3 GLU 29 1HB GLU 29 -2.557 1.470 4.978 223 HG2 GLU 29 2HG GLU 29 -2.659 3.170 6.659 224 HG3 GLU 29 1HG GLU 29 -0.977 3.623 6.393 225 H ASN 30 H ASN 30 -0.306 1.035 8.730 226 HA ASN 30 HA ASN 30 -2.748 -0.233 9.667 227 HB2 ASN 30 2HB ASN 30 -1.696 -0.170 11.860 228 HB3 ASN 30 1HB ASN 30 -0.551 -0.778 10.666 229 HD21 ASN 30 1HD2 ASN 30 1.303 -0.066 11.935 230 HD22 ASN 30 2HD2 ASN 30 1.695 1.584 12.076 231 H LYS 31 H LYS 31 -4.191 0.688 11.187 232 HA LYS 31 HA LYS 31 -4.987 3.328 10.603 233 HB2 LYS 31 2HB LYS 31 -6.716 3.019 12.194 234 HB3 LYS 31 1HB LYS 31 -6.435 1.426 11.494 235 HG2 LYS 31 2HG LYS 31 -5.406 2.429 14.176 236 HG3 LYS 31 1HG LYS 31 -6.641 1.205 13.909 237 HD2 LYS 31 2HD LYS 31 -4.866 -0.113 12.622 238 HD3 LYS 31 1HD LYS 31 -3.687 1.013 13.297 239 HE2 LYS 31 2HE LYS 31 -5.601 -0.710 14.899 240 HE3 LYS 31 1HE LYS 31 -3.873 -1.001 14.704 241 HZ1 LYS 31 3HZ LYS 31 -3.785 0.184 16.602 242 HZ2 LYS 31 1HZ LYS 31 -5.251 0.986 16.318 243 HZ3 LYS 31 2HZ LYS 31 -3.835 1.509 15.542 244 H PHE 32 H PHE 32 -2.392 2.312 12.385 245 HA PHE 32 HA PHE 32 -2.510 4.283 14.497 246 HB2 PHE 32 2HB PHE 32 -1.293 1.984 14.508 247 HB3 PHE 32 1HB PHE 32 -0.012 2.828 13.635 248 HD1 PHE 32 1HD PHE 32 -2.186 3.180 16.671 249 HD2 PHE 32 2HD PHE 32 1.626 3.986 14.861 250 HE1 PHE 32 1HE PHE 32 -1.365 4.121 18.814 251 HE2 PHE 32 2HE PHE 32 2.447 4.925 17.005 252 HZ PHE 32 HZ PHE 32 0.950 4.992 18.981 253 H GLY 33 H GLY 33 -2.397 4.862 11.420 254 HA2 GLY 33 2HA GLY 33 -1.682 6.661 10.167 255 HA3 GLY 33 1HA GLY 33 -1.025 7.349 11.651 256 H LYS 34 H LYS 34 0.070 4.197 11.073 257 HA LYS 34 HA LYS 34 2.533 5.136 9.716 258 HB2 LYS 34 2HB LYS 34 2.455 3.221 12.060 259 HB3 LYS 34 1HB LYS 34 3.890 3.813 11.231 260 HG2 LYS 34 2HG LYS 34 1.914 5.647 12.615 261 HG3 LYS 34 1HG LYS 34 3.330 4.984 13.424 262 HD2 LYS 34 2HD LYS 34 4.696 5.969 11.466 263 HD3 LYS 34 1HD LYS 34 3.241 6.884 11.075 264 HE2 LYS 34 2HE LYS 34 3.225 7.825 13.360 265 HE3 LYS 34 1HE LYS 34 4.696 6.929 13.733 266 HZ1 LYS 34 3HZ LYS 34 4.378 9.033 11.662 267 HZ2 LYS 34 1HZ LYS 34 5.780 8.104 11.877 268 HZ3 LYS 34 2HZ LYS 34 5.263 9.156 13.106 269 H SER 35 H SER 35 3.892 3.113 9.106 270 HA SER 35 HA SER 35 2.124 1.360 7.562 271 HB2 SER 35 2HB SER 35 3.897 2.253 6.271 272 HB3 SER 35 1HB SER 35 5.086 1.920 7.526 273 HG SER 35 HG SER 35 3.684 0.086 5.882 274 H MET 36 H MET 36 3.121 -0.961 7.289 275 HA MET 36 HA MET 36 4.045 -2.066 9.857 276 HB2 MET 36 2HB MET 36 1.389 -2.550 8.565 277 HB3 MET 36 1HB MET 36 2.207 -3.953 9.250 278 HG2 MET 36 2HG MET 36 1.732 -1.376 10.770 279 HG3 MET 36 1HG MET 36 0.658 -2.775 10.850 280 HE1 MET 36 3HE MET 36 2.291 -3.049 14.269 281 HE2 MET 36 1HE MET 36 0.870 -2.654 13.293 282 HE3 MET 36 2HE MET 36 2.171 -1.480 13.476 283 H ASN 37 H ASN 37 5.713 -3.343 9.459 284 HA ASN 37 HA ASN 37 6.573 -3.984 6.848 285 HB2 ASN 37 2HB ASN 37 8.145 -3.773 8.689 286 HB3 ASN 37 1HB ASN 37 7.405 -5.144 9.513 287 HD21 ASN 37 1HD2 ASN 37 7.502 -5.495 6.083 288 HD22 ASN 37 2HD2 ASN 37 8.849 -6.533 6.011 289 H MET 38 H MET 38 5.962 -5.523 5.507 290 HA MET 38 HA MET 38 4.955 -8.084 6.570 291 HB2 MET 38 2HB MET 38 2.973 -6.765 5.947 292 HB3 MET 38 1HB MET 38 3.643 -6.521 4.328 293 HG2 MET 38 2HG MET 38 3.522 -8.863 3.833 294 HG3 MET 38 1HG MET 38 3.229 -9.270 5.510 295 HE1 MET 38 3HE MET 38 1.299 -8.146 6.834 296 HE2 MET 38 1HE MET 38 0.874 -9.807 6.393 297 HE3 MET 38 2HE MET 38 -0.326 -8.520 6.260 298 HA PRO 39 HA PRO 39 8.004 -9.143 3.391 299 HB2 PRO 39 2HB PRO 39 8.205 -11.808 3.853 300 HB3 PRO 39 1HB PRO 39 8.898 -10.607 4.965 301 HG2 PRO 39 2HG PRO 39 6.340 -12.138 5.191 302 HG3 PRO 39 1HG PRO 39 7.544 -11.764 6.441 303 HD2 PRO 39 2HD PRO 39 5.199 -10.343 6.112 304 HD3 PRO 39 1HD PRO 39 6.662 -9.658 6.837 305 H GLU 40 H GLU 40 7.769 -9.663 1.272 306 HA GLU 40 HA GLU 40 5.347 -10.031 0.044 307 HB2 GLU 40 2HB GLU 40 6.593 -10.801 -1.928 308 HB3 GLU 40 1HB GLU 40 7.406 -9.435 -1.162 309 HG2 GLU 40 2HG GLU 40 8.773 -11.202 0.127 310 HG3 GLU 40 1HG GLU 40 8.156 -12.359 -1.055 311 H GLY 41 H GLY 41 3.927 -11.639 -0.140 312 HA2 GLY 41 2HA GLY 41 3.635 -14.039 -0.750 313 HA3 GLY 41 1HA GLY 41 4.797 -14.405 0.521 314 H LYS 42 H LYS 42 3.563 -12.190 2.197 315 HA LYS 42 HA LYS 42 1.722 -13.859 3.608 316 HB2 LYS 42 2HB LYS 42 2.861 -11.130 3.941 317 HB3 LYS 42 1HB LYS 42 1.315 -11.408 4.732 318 HG2 LYS 42 2HG LYS 42 3.520 -13.440 5.060 319 HG3 LYS 42 1HG LYS 42 3.568 -11.956 6.005 320 HD2 LYS 42 2HD LYS 42 1.534 -12.427 7.096 321 HD3 LYS 42 1HD LYS 42 1.073 -13.643 5.903 322 HE2 LYS 42 2HE LYS 42 1.818 -14.734 7.973 323 HE3 LYS 42 1HE LYS 42 2.951 -15.076 6.667 324 HZ1 LYS 42 3HZ LYS 42 3.299 -12.886 8.639 325 HZ2 LYS 42 1HZ LYS 42 4.423 -13.403 7.477 326 HZ3 LYS 42 2HZ LYS 42 4.023 -14.417 8.780 327 H VAL 43 H VAL 43 -0.039 -14.384 2.509 328 HA VAL 43 HA VAL 43 -1.510 -12.746 0.754 329 HB VAL 43 HB VAL 43 -2.660 -15.019 2.374 330 HG11 VAL 43 1HG1 VAL 43 -3.977 -15.363 0.306 331 HG12 VAL 43 2HG1 VAL 43 -3.174 -13.976 -0.428 332 HG13 VAL 43 3HG1 VAL 43 -4.227 -13.747 0.967 333 HG21 VAL 43 3HG2 VAL 43 -0.774 -15.053 0.011 334 HG22 VAL 43 1HG2 VAL 43 -1.841 -16.409 0.371 335 HG23 VAL 43 2HG2 VAL 43 -0.618 -15.915 1.540 336 H MET 44 H MET 44 -2.836 -11.089 1.136 337 HA MET 44 HA MET 44 -3.879 -10.694 3.887 338 HB2 MET 44 2HB MET 44 -3.707 -8.639 1.683 339 HB3 MET 44 1HB MET 44 -4.043 -8.364 3.368 340 HG2 MET 44 2HG MET 44 -1.817 -8.781 4.008 341 HG3 MET 44 1HG MET 44 -1.445 -9.619 2.505 342 HE1 MET 44 3HE MET 44 -1.516 -8.743 0.355 343 HE2 MET 44 1HE MET 44 -0.855 -7.174 -0.111 344 HE3 MET 44 2HE MET 44 -2.584 -7.366 0.127 345 H GLU 45 H GLU 45 -6.064 -10.603 4.211 346 HA GLU 45 HA GLU 45 -7.788 -11.105 1.846 347 HB2 GLU 45 2HB GLU 45 -7.752 -12.849 3.623 348 HB3 GLU 45 1HB GLU 45 -8.357 -11.649 4.769 349 HG2 GLU 45 2HG GLU 45 -10.373 -11.330 3.436 350 HG3 GLU 45 1HG GLU 45 -9.759 -12.426 2.195 351 H THR 46 H THR 46 -9.046 -9.497 1.184 352 HA THR 46 HA THR 46 -9.375 -7.108 2.775 353 HB THR 46 HB THR 46 -10.402 -6.167 0.857 354 HG1 THR 46 1HG THR 46 -11.888 -7.531 0.166 355 HG21 THR 46 3HG2 THR 46 -8.448 -8.233 -0.182 356 HG22 THR 46 1HG2 THR 46 -7.973 -6.757 0.651 357 HG23 THR 46 2HG2 THR 46 -8.809 -6.665 -0.900 358 H ARG 47 H ARG 47 -11.571 -6.143 3.079 359 HA ARG 47 HA ARG 47 -13.183 -7.736 4.694 360 HB2 ARG 47 2HB ARG 47 -14.867 -5.948 4.501 361 HB3 ARG 47 1HB ARG 47 -13.249 -5.282 4.744 362 HG2 ARG 47 2HG ARG 47 -13.052 -4.961 2.277 363 HG3 ARG 47 1HG ARG 47 -14.715 -5.523 2.100 364 HD2 ARG 47 2HD ARG 47 -15.580 -3.667 3.314 365 HD3 ARG 47 1HD ARG 47 -13.985 -3.216 3.909 366 HE ARG 47 HE ARG 47 -13.970 -3.118 1.086 367 HH11 ARG 47 1HH2 ARG 47 -15.332 -1.544 3.851 368 HH12 ARG 47 2HH2 ARG 47 -15.459 0.003 3.080 369 HH21 ARG 47 1HH1 ARG 47 -14.133 -1.094 0.068 370 HH22 ARG 47 2HH1 ARG 47 -14.780 0.257 0.938 371 H ASP 48 H ASP 48 -13.339 -7.131 1.230 372 HA ASP 48 HA ASP 48 -15.866 -8.495 0.892 373 HB2 ASP 48 2HB ASP 48 -15.133 -6.668 -0.621 374 HB3 ASP 48 1HB ASP 48 -13.807 -7.692 -1.179 375 H GLY 49 H GLY 49 -12.796 -9.541 1.557 376 HA2 GLY 49 2HA GLY 49 -12.000 -11.721 1.700 377 HA3 GLY 49 1HA GLY 49 -13.435 -12.269 0.836 378 H THR 50 H THR 50 -11.327 -9.715 -0.333 379 HA THR 50 HA THR 50 -10.848 -11.213 -2.788 380 HB THR 50 HB THR 50 -9.922 -8.444 -1.985 381 HG1 THR 50 1HG THR 50 -11.983 -8.984 -3.792 382 HG21 THR 50 3HG2 THR 50 -8.594 -9.401 -3.797 383 HG22 THR 50 1HG2 THR 50 -9.663 -8.155 -4.439 384 HG23 THR 50 2HG2 THR 50 -10.062 -9.859 -4.658 385 H LYS 51 H LYS 51 -9.007 -12.243 -3.310 386 HA LYS 51 HA LYS 51 -6.911 -12.456 -1.307 387 HB2 LYS 51 2HB LYS 51 -7.769 -14.423 -2.604 388 HB3 LYS 51 1HB LYS 51 -7.034 -13.726 -4.052 389 HG2 LYS 51 2HG LYS 51 -4.828 -13.717 -2.865 390 HG3 LYS 51 1HG LYS 51 -5.592 -14.547 -1.511 391 HD2 LYS 51 2HD LYS 51 -5.518 -15.593 -4.358 392 HD3 LYS 51 1HD LYS 51 -4.436 -16.116 -3.070 393 HE2 LYS 51 2HE LYS 51 -6.657 -16.617 -1.760 394 HE3 LYS 51 1HE LYS 51 -7.392 -16.597 -3.365 395 HZ1 LYS 51 3HZ LYS 51 -6.369 -18.488 -3.958 396 HZ2 LYS 51 1HZ LYS 51 -6.270 -18.750 -2.284 397 HZ3 LYS 51 2HZ LYS 51 -4.935 -18.117 -3.124 398 H ILE 52 H ILE 52 -5.294 -11.078 -1.214 399 HA ILE 52 HA ILE 52 -4.092 -10.044 -3.714 400 HB ILE 52 HB ILE 52 -3.710 -7.886 -2.266 401 HG12 ILE 52 2HG1 ILE 52 -6.231 -8.965 -0.995 402 HG13 ILE 52 1HG1 ILE 52 -4.658 -9.022 -0.228 403 HG21 ILE 52 1HG2 ILE 52 -5.773 -6.920 -3.108 404 HG22 ILE 52 2HG2 ILE 52 -6.505 -8.518 -3.249 405 HG23 ILE 52 3HG2 ILE 52 -5.168 -8.064 -4.310 406 HD11 ILE 52 3HD1 ILE 52 -5.646 -7.032 0.607 407 HD12 ILE 52 1HD1 ILE 52 -6.297 -6.607 -0.973 408 HD13 ILE 52 2HD1 ILE 52 -4.568 -6.468 -0.667 409 H ILE 53 H ILE 53 -1.990 -10.468 -3.776 410 HA ILE 53 HA ILE 53 -0.623 -11.419 -1.364 411 HB ILE 53 HB ILE 53 0.594 -11.243 -4.117 412 HG12 ILE 53 2HG1 ILE 53 -1.562 -12.272 -4.469 413 HG13 ILE 53 1HG1 ILE 53 -0.340 -13.543 -4.497 414 HG21 ILE 53 1HG2 ILE 53 0.906 -13.156 -1.784 415 HG22 ILE 53 2HG2 ILE 53 2.049 -11.901 -2.256 416 HG23 ILE 53 3HG2 ILE 53 1.765 -13.280 -3.319 417 HD11 ILE 53 3HD1 ILE 53 -2.127 -14.372 -3.139 418 HD12 ILE 53 1HD1 ILE 53 -2.252 -12.851 -2.257 419 HD13 ILE 53 2HD1 ILE 53 -0.853 -13.897 -2.019 420 H MET 54 H MET 54 1.030 -10.406 -0.375 421 HA MET 54 HA MET 54 1.350 -7.601 -0.717 422 HB2 MET 54 2HB MET 54 1.694 -8.836 1.438 423 HB3 MET 54 1HB MET 54 3.182 -9.505 0.765 424 HG2 MET 54 2HG MET 54 3.870 -7.593 2.013 425 HG3 MET 54 1HG MET 54 3.897 -7.078 0.336 426 HE1 MET 54 3HE MET 54 3.362 -4.762 -0.026 427 HE2 MET 54 1HE MET 54 4.059 -4.694 1.598 428 HE3 MET 54 2HE MET 54 2.626 -3.744 1.209 429 H LYS 55 H LYS 55 2.183 -6.835 -2.561 430 HA LYS 55 HA LYS 55 4.486 -8.161 -3.827 431 HB2 LYS 55 2HB LYS 55 2.582 -5.988 -4.713 432 HB3 LYS 55 1HB LYS 55 4.029 -6.417 -5.631 433 HG2 LYS 55 2HG LYS 55 3.255 -8.700 -5.875 434 HG3 LYS 55 1HG LYS 55 1.863 -8.379 -4.842 435 HD2 LYS 55 2HD LYS 55 1.230 -6.556 -6.536 436 HD3 LYS 55 1HD LYS 55 2.424 -7.294 -7.605 437 HE2 LYS 55 2HE LYS 55 1.247 -9.459 -7.423 438 HE3 LYS 55 1HE LYS 55 0.045 -8.713 -6.370 439 HZ1 LYS 55 3HZ LYS 55 0.581 -7.474 -8.969 440 HZ2 LYS 55 1HZ LYS 55 -0.859 -7.530 -8.074 441 HZ3 LYS 55 2HZ LYS 55 -0.342 -8.901 -8.935 442 H GLY 56 H GLY 56 3.490 -5.009 -2.564 443 HA2 GLY 56 2HA GLY 56 6.170 -3.907 -2.909 444 HA3 GLY 56 1HA GLY 56 4.737 -3.048 -2.367 445 H ASN 57 H ASN 57 7.101 -5.493 -1.292 446 HA ASN 57 HA ASN 57 6.397 -5.235 1.472 447 HB2 ASN 57 2HB ASN 57 7.550 -7.239 0.583 448 HB3 ASN 57 1HB ASN 57 8.973 -6.252 0.245 449 HD21 ASN 57 1HD2 ASN 57 7.266 -5.273 3.077 450 HD22 ASN 57 2HD2 ASN 57 8.304 -5.995 4.218 451 H GLU 58 H GLU 58 8.116 -3.310 -0.722 452 HA GLU 58 HA GLU 58 9.896 -2.065 1.189 453 HB2 GLU 58 2HB GLU 58 9.103 -1.207 -1.607 454 HB3 GLU 58 1HB GLU 58 10.427 -0.534 -0.655 455 HG2 GLU 58 2HG GLU 58 11.559 -2.692 -0.623 456 HG3 GLU 58 1HG GLU 58 10.202 -3.449 -1.457 457 H ILE 59 H ILE 59 7.601 -1.918 2.432 458 HA ILE 59 HA ILE 59 5.716 0.009 1.951 459 HB ILE 59 HB ILE 59 5.712 0.282 4.521 460 HG12 ILE 59 2HG1 ILE 59 7.684 -2.009 4.286 461 HG13 ILE 59 1HG1 ILE 59 8.167 -0.357 4.674 462 HG21 ILE 59 1HG2 ILE 59 4.196 -1.254 3.418 463 HG22 ILE 59 2HG2 ILE 59 4.902 -2.088 4.801 464 HG23 ILE 59 3HG2 ILE 59 5.491 -2.427 3.173 465 HD11 ILE 59 3HD1 ILE 59 7.740 -1.959 6.652 466 HD12 ILE 59 1HD1 ILE 59 6.029 -1.782 6.263 467 HD13 ILE 59 2HD1 ILE 59 6.980 -0.370 6.723 468 H PHE 60 H PHE 60 9.045 0.539 2.320 469 HA PHE 60 HA PHE 60 9.297 2.948 3.630 470 HB2 PHE 60 2HB PHE 60 10.699 1.981 1.131 471 HB3 PHE 60 1HB PHE 60 11.197 3.404 2.046 472 HD1 PHE 60 2HD PHE 60 11.917 3.165 4.437 473 HD2 PHE 60 1HD PHE 60 11.171 -0.232 1.916 474 HE1 PHE 60 2HE PHE 60 13.155 1.716 6.023 475 HE2 PHE 60 1HE PHE 60 12.410 -1.682 3.502 476 HZ PHE 60 HZ PHE 60 13.401 -0.708 5.555 477 H ARG 61 H ARG 61 7.875 2.316 0.499 478 HA ARG 61 HA ARG 61 7.927 4.887 -0.609 479 HB2 ARG 61 2HB ARG 61 5.723 2.827 -0.868 480 HB3 ARG 61 1HB ARG 61 6.042 4.161 -1.975 481 HG2 ARG 61 2HG ARG 61 8.012 1.938 -1.357 482 HG3 ARG 61 1HG ARG 61 6.973 1.980 -2.779 483 HD2 ARG 61 2HD ARG 61 8.044 4.355 -3.155 484 HD3 ARG 61 1HD ARG 61 9.310 3.743 -2.094 485 HE ARG 61 HE ARG 61 8.754 1.850 -4.137 486 HH11 ARG 61 1HH2 ARG 61 10.202 4.936 -3.545 487 HH12 ARG 61 2HH2 ARG 61 11.340 4.805 -4.844 488 HH21 ARG 61 1HH1 ARG 61 10.243 1.670 -5.843 489 HH22 ARG 61 2HH1 ARG 61 11.363 2.957 -6.144 490 H LEU 62 H LEU 62 5.413 3.369 1.431 491 HA LEU 62 HA LEU 62 3.686 5.574 1.522 492 HB2 LEU 62 2HB LEU 62 2.943 3.399 2.283 493 HB3 LEU 62 1HB LEU 62 4.175 3.370 3.539 494 HG LEU 62 HG LEU 62 3.108 5.178 4.733 495 HD11 LEU 62 1HD1 LEU 62 1.447 5.406 2.221 496 HD12 LEU 62 2HD1 LEU 62 2.334 6.670 3.075 497 HD13 LEU 62 3HD1 LEU 62 0.845 6.025 3.761 498 HD21 LEU 62 3HD2 LEU 62 2.142 2.796 4.830 499 HD22 LEU 62 1HD2 LEU 62 0.843 3.404 3.805 500 HD23 LEU 62 2HD2 LEU 62 1.099 4.095 5.407 501 H ASP 63 H ASP 63 6.231 4.587 3.817 502 HA ASP 63 HA ASP 63 5.960 6.818 5.536 503 HB2 ASP 63 2HB ASP 63 8.398 5.099 5.022 504 HB3 ASP 63 1HB ASP 63 8.156 6.160 6.408 505 H GLU 64 H GLU 64 6.204 8.864 4.907 506 HA GLU 64 HA GLU 64 8.683 9.835 3.917 507 HB2 GLU 64 2HB GLU 64 7.539 8.760 1.854 508 HB3 GLU 64 1HB GLU 64 6.448 10.141 1.916 509 HG2 GLU 64 2HG GLU 64 8.173 10.835 0.452 510 HG3 GLU 64 1HG GLU 64 8.589 11.590 1.988 511 H ALA 65 H ALA 65 6.761 11.865 2.378 512 HA ALA 65 HA ALA 65 5.217 13.165 4.346 513 HB1 ALA 65 1HB ALA 65 8.069 14.108 4.062 514 HB2 ALA 65 2HB ALA 65 7.197 13.702 5.538 515 HB3 ALA 65 3HB ALA 65 6.783 15.164 4.646 516 H LEU 66 H LEU 66 7.533 14.066 1.775 517 HA LEU 66 HA LEU 66 5.636 15.947 0.633 518 HB2 LEU 66 2HB LEU 66 7.519 16.068 -1.167 519 HB3 LEU 66 1HB LEU 66 7.829 16.735 0.433 520 HG LEU 66 HG LEU 66 8.495 13.835 0.014 521 HD11 LEU 66 1HD1 LEU 66 9.384 14.928 -2.024 522 HD12 LEU 66 2HD1 LEU 66 10.679 14.382 -0.960 523 HD13 LEU 66 3HD1 LEU 66 10.245 16.091 -1.015 524 HD21 LEU 66 3HD2 LEU 66 10.184 15.965 1.338 525 HD22 LEU 66 1HD2 LEU 66 10.108 14.238 1.685 526 HD23 LEU 66 2HD2 LEU 66 8.782 15.294 2.167 527 H ARG 67 H ARG 67 4.040 14.119 0.345 528 HA ARG 67 HA ARG 67 4.514 12.156 -1.682 529 HB2 ARG 67 2HB ARG 67 2.096 11.727 -1.513 530 HB3 ARG 67 1HB ARG 67 2.841 11.813 0.083 531 HG2 ARG 67 2HG ARG 67 2.162 14.245 0.175 532 HG3 ARG 67 1HG ARG 67 1.245 13.980 -1.307 533 HD2 ARG 67 2HD ARG 67 0.845 12.327 1.197 534 HD3 ARG 67 1HD ARG 67 -0.093 13.773 0.839 535 HE ARG 67 HE ARG 67 -1.192 12.608 -0.877 536 HH11 ARG 67 1HH2 ARG 67 1.414 10.778 0.487 537 HH12 ARG 67 2HH2 ARG 67 0.944 9.292 -0.267 538 HH21 ARG 67 1HH1 ARG 67 -1.810 10.662 -1.866 539 HH22 ARG 67 2HH1 ARG 67 -0.878 9.226 -1.597 540 H LYS 68 H LYS 68 4.135 12.224 -3.832 541 HA LYS 68 HA LYS 68 2.402 14.061 -5.120 542 HB2 LYS 68 2HB LYS 68 4.104 15.445 -6.264 543 HB3 LYS 68 1HB LYS 68 4.109 15.707 -4.520 544 HG2 LYS 68 2HG LYS 68 5.946 13.916 -4.415 545 HG3 LYS 68 1HG LYS 68 6.066 14.097 -6.165 546 HD2 LYS 68 2HD LYS 68 6.336 16.372 -4.177 547 HD3 LYS 68 1HD LYS 68 7.692 15.542 -4.943 548 HE2 LYS 68 2HE LYS 68 6.575 16.148 -7.184 549 HE3 LYS 68 1HE LYS 68 5.583 17.265 -6.247 550 HZ1 LYS 68 3HZ LYS 68 8.355 17.460 -5.587 551 HZ2 LYS 68 1HZ LYS 68 7.267 18.678 -6.048 552 HZ3 LYS 68 2HZ LYS 68 8.073 17.766 -7.234 553 H GLY 69 H GLY 69 2.525 13.891 -7.480 554 HA2 GLY 69 2HA GLY 69 4.185 12.425 -9.050 555 HA3 GLY 69 1HA GLY 69 3.184 11.196 -8.283 556 H HIS 70 H HIS 70 2.980 11.250 -10.916 557 HA HIS 70 HA HIS 70 0.241 11.846 -11.395 558 HB2 HIS 70 2HB HIS 70 1.040 14.148 -11.566 559 HB3 HIS 70 1HB HIS 70 2.269 13.656 -12.732 560 HD2 HIS 70 2HD HIS 70 1.362 13.515 -15.364 561 HE1 HIS 70 1HE HIS 70 -2.753 13.998 -14.556 562 HE2 HIS 70 2HE HIS 70 -1.014 13.830 -16.398 563 H SER 71 H SER 71 3.163 11.961 -13.444 564 HA SER 71 HA SER 71 2.871 9.312 -14.431 565 HB2 SER 71 2HB SER 71 0.880 10.415 -15.502 566 HB3 SER 71 1HB SER 71 1.998 11.478 -16.353 567 HG SER 71 HG SER 71 2.810 8.936 -16.581 568 H GLU 72 H GLU 72 4.166 12.529 -14.645 569 HA GLU 72 HA GLU 72 6.124 12.129 -16.635 570 HB2 GLU 72 2HB GLU 72 5.405 14.336 -15.614 571 HB3 GLU 72 1HB GLU 72 6.413 13.927 -14.225 572 HG2 GLU 72 2HG GLU 72 7.776 15.257 -15.682 573 HG3 GLU 72 1HG GLU 72 8.329 13.593 -15.859 574 H GLY 73 H GLY 73 6.587 12.193 -13.091 575 HA2 GLY 73 2HA GLY 73 8.120 11.140 -11.738 576 HA3 GLY 73 1HA GLY 73 8.049 9.813 -12.895 577 H GLY 74 H GLY 74 9.604 9.656 -14.521 578 HA2 GLY 74 2HA GLY 74 11.522 11.618 -15.158 579 HA3 GLY 74 1HA GLY 74 12.193 10.561 -13.918 580 H1 HOH 201 H2 HOH 77 -2.762 13.017 -10.363 581 H2 HOH 201 H1 HOH 77 -2.122 12.215 -11.477 Start of MODEL 19 1 H1 VAL 1 1H VAL 1 2.415 3.322 -16.874 2 H2 VAL 1 2H VAL 1 3.992 2.702 -16.999 3 HA VAL 1 HA VAL 1 2.779 2.382 -14.798 4 HB VAL 1 HB VAL 1 5.484 3.754 -14.767 5 HG11 VAL 1 2HG1 VAL 1 4.581 3.329 -12.545 6 HG12 VAL 1 3HG1 VAL 1 5.862 2.160 -12.871 7 HG13 VAL 1 1HG1 VAL 1 4.170 1.674 -12.991 8 HG21 VAL 1 1HG2 VAL 1 6.304 1.345 -15.023 9 HG22 VAL 1 2HG2 VAL 1 5.608 2.076 -16.470 10 HG23 VAL 1 3HG2 VAL 1 4.659 0.938 -15.513 11 H ASP 2 H ASP 2 1.059 4.101 -14.915 12 HA ASP 2 HA ASP 2 1.346 5.913 -12.755 13 HB2 ASP 2 2HB ASP 2 0.991 8.012 -14.195 14 HB3 ASP 2 1HB ASP 2 2.620 7.343 -14.136 15 H MET 3 H MET 3 -0.411 7.106 -15.477 16 HA MET 3 HA MET 3 -2.889 7.161 -14.239 17 HB2 MET 3 2HB MET 3 -2.301 6.913 -17.199 18 HB3 MET 3 1HB MET 3 -3.836 7.430 -16.502 19 HG2 MET 3 2HG MET 3 -1.202 8.820 -15.955 20 HG3 MET 3 1HG MET 3 -2.331 9.329 -17.212 21 HE1 MET 3 3HE MET 3 -5.206 10.941 -15.579 22 HE2 MET 3 1HE MET 3 -5.036 9.463 -16.538 23 HE3 MET 3 2HE MET 3 -4.082 10.890 -16.936 24 H SER 4 H SER 4 -1.287 4.533 -15.879 25 HA SER 4 HA SER 4 -3.419 2.853 -16.487 26 HB2 SER 4 2HB SER 4 -0.690 2.074 -15.434 27 HB3 SER 4 1HB SER 4 -1.814 1.001 -16.265 28 HG SER 4 HG SER 4 -1.315 1.912 -18.107 29 H ASN 5 H ASN 5 -2.012 3.659 -13.397 30 HA ASN 5 HA ASN 5 -4.222 2.416 -12.011 31 HB2 ASN 5 2HB ASN 5 -1.413 1.340 -11.713 32 HB3 ASN 5 1HB ASN 5 -2.695 1.047 -10.541 33 HD21 ASN 5 1HD2 ASN 5 -1.597 0.303 -13.821 34 HD22 ASN 5 2HD2 ASN 5 -2.724 -0.934 -14.104 35 H VAL 6 H VAL 6 -4.763 4.133 -10.812 36 HA VAL 6 HA VAL 6 -2.682 5.374 -9.101 37 HB VAL 6 HB VAL 6 -3.833 7.545 -9.411 38 HG11 VAL 6 1HG1 VAL 6 -3.014 7.957 -11.700 39 HG12 VAL 6 2HG1 VAL 6 -2.945 6.219 -11.990 40 HG13 VAL 6 3HG1 VAL 6 -1.875 6.957 -10.800 41 HG21 VAL 6 3HG2 VAL 6 -5.425 5.958 -11.448 42 HG22 VAL 6 1HG2 VAL 6 -5.427 7.718 -11.346 43 HG23 VAL 6 2HG2 VAL 6 -6.056 6.756 -10.008 44 H VAL 7 H VAL 7 -3.317 5.905 -7.039 45 HA VAL 7 HA VAL 7 -4.527 5.763 -5.094 46 HB VAL 7 HB VAL 7 -6.994 5.886 -6.831 47 HG11 VAL 7 1HG1 VAL 7 -7.397 5.488 -4.458 48 HG12 VAL 7 2HG1 VAL 7 -7.851 7.146 -4.850 49 HG13 VAL 7 3HG1 VAL 7 -6.328 6.821 -4.022 50 HG21 VAL 7 3HG2 VAL 7 -6.754 8.371 -6.612 51 HG22 VAL 7 1HG2 VAL 7 -5.481 7.641 -7.591 52 HG23 VAL 7 2HG2 VAL 7 -5.148 8.120 -5.925 53 H LYS 8 H LYS 8 -5.301 4.168 -3.779 54 HA LYS 8 HA LYS 8 -6.900 1.989 -4.653 55 HB2 LYS 8 2HB LYS 8 -4.664 1.464 -5.751 56 HB3 LYS 8 1HB LYS 8 -4.016 1.258 -4.127 57 HG2 LYS 8 2HG LYS 8 -4.649 -0.935 -4.581 58 HG3 LYS 8 1HG LYS 8 -6.123 -0.340 -3.825 59 HD2 LYS 8 2HD LYS 8 -6.982 -1.332 -5.756 60 HD3 LYS 8 1HD LYS 8 -6.785 0.333 -6.296 61 HE2 LYS 8 2HE LYS 8 -4.656 -0.217 -7.358 62 HE3 LYS 8 1HE LYS 8 -4.730 -1.860 -6.719 63 HZ1 LYS 8 3HZ LYS 8 -5.834 -0.883 -9.085 64 HZ2 LYS 8 1HZ LYS 8 -7.123 -1.302 -8.066 65 HZ3 LYS 8 2HZ LYS 8 -5.938 -2.456 -8.451 66 H THR 9 H THR 9 -7.671 0.822 -2.932 67 HA THR 9 HA THR 9 -6.347 0.938 -0.342 68 HB THR 9 HB THR 9 -9.145 2.050 -0.627 69 HG1 THR 9 1HG THR 9 -7.399 3.842 0.224 70 HG21 THR 9 3HG2 THR 9 -8.786 2.734 1.703 71 HG22 THR 9 1HG2 THR 9 -7.166 2.037 1.669 72 HG23 THR 9 2HG2 THR 9 -8.581 0.991 1.537 73 H TYR 10 H TYR 10 -6.370 -1.158 0.157 74 HA TYR 10 HA TYR 10 -8.790 -2.768 -0.405 75 HB2 TYR 10 2HB TYR 10 -5.908 -3.515 0.112 76 HB3 TYR 10 1HB TYR 10 -7.211 -4.695 0.135 77 HD1 TYR 10 2HD TYR 10 -8.891 -4.459 -1.975 78 HD2 TYR 10 1HD TYR 10 -4.759 -3.261 -1.921 79 HE1 TYR 10 2HE TYR 10 -8.811 -4.611 -4.447 80 HE2 TYR 10 1HE TYR 10 -4.687 -3.415 -4.391 81 HH TYR 10 HH TYR 10 -7.254 -4.846 -6.224 82 H ASP 11 H ASP 11 -10.157 -2.769 1.275 83 HA ASP 11 HA ASP 11 -9.381 -2.241 3.954 84 HB2 ASP 11 2HB ASP 11 -11.923 -3.630 3.133 85 HB3 ASP 11 1HB ASP 11 -11.641 -2.575 4.517 86 H LEU 12 H LEU 12 -7.857 -3.648 4.699 87 HA LEU 12 HA LEU 12 -8.065 -6.498 4.424 88 HB2 LEU 12 2HB LEU 12 -6.172 -4.543 5.489 89 HB3 LEU 12 1HB LEU 12 -6.300 -5.933 6.561 90 HG LEU 12 HG LEU 12 -5.688 -7.455 4.794 91 HD11 LEU 12 1HD1 LEU 12 -4.964 -6.163 2.525 92 HD12 LEU 12 2HD1 LEU 12 -6.318 -5.147 3.021 93 HD13 LEU 12 3HD1 LEU 12 -6.556 -6.873 2.757 94 HD21 LEU 12 3HD2 LEU 12 -3.465 -6.206 3.981 95 HD22 LEU 12 1HD2 LEU 12 -3.677 -6.696 5.660 96 HD23 LEU 12 2HD2 LEU 12 -3.963 -5.023 5.183 97 H GLN 13 H GLN 13 -8.184 -7.983 6.269 98 HA GLN 13 HA GLN 13 -10.486 -7.355 7.898 99 HB2 GLN 13 2HB GLN 13 -10.261 -9.671 8.693 100 HB3 GLN 13 1HB GLN 13 -10.189 -9.599 6.931 101 HG2 GLN 13 2HG GLN 13 -7.684 -9.578 7.095 102 HG3 GLN 13 1HG GLN 13 -7.841 -9.836 8.834 103 HE21 GLN 13 1HE2 GLN 13 -9.858 -11.296 6.250 104 HE22 GLN 13 2HE2 GLN 13 -9.410 -12.901 6.601 105 H ASP 14 H ASP 14 -7.093 -7.113 8.234 106 HA ASP 14 HA ASP 14 -7.044 -7.340 11.124 107 HB2 ASP 14 2HB ASP 14 -4.965 -6.376 9.145 108 HB3 ASP 14 1HB ASP 14 -4.685 -6.602 10.874 109 H GLY 15 H GLY 15 -8.588 -5.207 9.429 110 HA2 GLY 15 2HA GLY 15 -9.392 -3.106 9.993 111 HA3 GLY 15 1HA GLY 15 -8.275 -3.086 11.359 112 H SER 16 H SER 16 -6.264 -3.908 9.042 113 HA SER 16 HA SER 16 -5.256 -1.219 8.684 114 HB2 SER 16 2HB SER 16 -3.408 -2.358 7.485 115 HB3 SER 16 1HB SER 16 -3.689 -3.043 9.085 116 HG SER 16 HG SER 16 -4.679 -4.041 6.612 117 H LYS 17 H LYS 17 -4.251 -0.969 6.279 118 HA LYS 17 HA LYS 17 -6.178 -1.695 4.211 119 HB2 LYS 17 2HB LYS 17 -5.663 1.183 5.000 120 HB3 LYS 17 1HB LYS 17 -6.490 0.679 3.525 121 HG2 LYS 17 2HG LYS 17 -8.097 -0.612 5.026 122 HG3 LYS 17 1HG LYS 17 -7.376 0.253 6.379 123 HD2 LYS 17 2HD LYS 17 -7.953 2.407 5.309 124 HD3 LYS 17 1HD LYS 17 -8.700 1.532 3.972 125 HE2 LYS 17 2HE LYS 17 -9.548 1.201 6.860 126 HE3 LYS 17 1HE LYS 17 -10.328 2.316 5.738 127 HZ1 LYS 17 3HZ LYS 17 -10.783 0.436 4.271 128 HZ2 LYS 17 1HZ LYS 17 -11.498 0.222 5.794 129 HZ3 LYS 17 2HZ LYS 17 -10.079 -0.624 5.396 130 H VAL 18 H VAL 18 -5.034 -2.224 2.469 131 HA VAL 18 HA VAL 18 -2.236 -1.538 2.303 132 HB VAL 18 HB VAL 18 -3.706 -2.776 0.002 133 HG11 VAL 18 1HG1 VAL 18 -1.071 -3.513 1.275 134 HG12 VAL 18 2HG1 VAL 18 -1.218 -2.273 0.032 135 HG13 VAL 18 3HG1 VAL 18 -1.650 -3.943 -0.333 136 HG21 VAL 18 3HG2 VAL 18 -3.598 -4.985 1.048 137 HG22 VAL 18 1HG2 VAL 18 -4.610 -3.912 2.013 138 HG23 VAL 18 2HG2 VAL 18 -2.964 -4.266 2.532 139 H HIS 19 H HIS 19 -1.249 -0.394 0.555 140 HA HIS 19 HA HIS 19 -2.981 1.305 -1.109 141 HB2 HIS 19 2HB HIS 19 -2.693 2.918 0.530 142 HB3 HIS 19 1HB HIS 19 -1.195 2.208 1.111 143 HD1 HIS 19 1HD HIS 19 -2.544 4.546 -1.512 144 HD2 HIS 19 2HD HIS 19 1.151 3.160 -0.159 145 HE1 HIS 19 1HE HIS 19 -0.787 6.005 -2.609 146 HE2 HIS 19 2HE HIS 19 1.471 5.172 -1.797 147 H VAL 20 H VAL 20 -2.279 0.967 -3.149 148 HA VAL 20 HA VAL 20 0.489 0.141 -3.568 149 HB VAL 20 HB VAL 20 -0.112 -0.735 -5.632 150 HG11 VAL 20 1HG1 VAL 20 -1.342 -2.147 -4.249 151 HG12 VAL 20 2HG1 VAL 20 -2.570 -1.622 -5.380 152 HG13 VAL 20 3HG1 VAL 20 -2.481 -0.899 -3.778 153 HG21 VAL 20 3HG2 VAL 20 -2.302 0.014 -6.783 154 HG22 VAL 20 1HG2 VAL 20 -0.933 1.124 -6.804 155 HG23 VAL 20 2HG2 VAL 20 -2.258 1.382 -5.669 156 H PHE 21 H PHE 21 1.818 1.092 -5.215 157 HA PHE 21 HA PHE 21 1.460 4.023 -5.371 158 HB2 PHE 21 2HB PHE 21 3.894 2.249 -5.649 159 HB3 PHE 21 1HB PHE 21 3.908 3.986 -5.953 160 HD1 PHE 21 2HD PHE 21 3.297 1.385 -3.376 161 HD2 PHE 21 1HD PHE 21 3.877 5.569 -4.155 162 HE1 PHE 21 2HE PHE 21 3.523 1.807 -0.942 163 HE2 PHE 21 1HE PHE 21 4.103 5.991 -1.722 164 HZ PHE 21 HZ PHE 21 3.926 4.109 -0.118 165 H LYS 22 H LYS 22 3.149 4.566 -7.483 166 HA LYS 22 HA LYS 22 1.438 4.070 -9.721 167 HB2 LYS 22 2HB LYS 22 3.178 5.298 -11.001 168 HB3 LYS 22 1HB LYS 22 2.664 6.165 -9.554 169 HG2 LYS 22 2HG LYS 22 4.628 5.173 -8.340 170 HG3 LYS 22 1HG LYS 22 5.175 4.499 -9.875 171 HD2 LYS 22 2HD LYS 22 5.456 6.680 -10.833 172 HD3 LYS 22 1HD LYS 22 4.628 7.449 -9.480 173 HE2 LYS 22 2HE LYS 22 7.012 7.758 -9.178 174 HE3 LYS 22 1HE LYS 22 6.448 6.604 -7.970 175 HZ1 LYS 22 3HZ LYS 22 8.542 6.058 -9.336 176 HZ2 LYS 22 1HZ LYS 22 7.453 5.662 -10.574 177 HZ3 LYS 22 2HZ LYS 22 7.386 4.838 -9.090 178 H ASP 23 H ASP 23 4.289 2.561 -8.427 179 HA ASP 23 HA ASP 23 4.967 1.138 -10.849 180 HB2 ASP 23 2HB ASP 23 5.866 0.664 -7.996 181 HB3 ASP 23 1HB ASP 23 6.597 -0.027 -9.447 182 H GLY 24 H GLY 24 2.298 0.905 -9.169 183 HA2 GLY 24 2HA GLY 24 0.687 -0.737 -9.002 184 HA3 GLY 24 1HA GLY 24 1.754 -1.798 -9.919 185 H LYS 25 H LYS 25 3.780 -0.922 -7.646 186 HA LYS 25 HA LYS 25 3.603 -3.331 -6.143 187 HB2 LYS 25 2HB LYS 25 5.202 -0.796 -6.019 188 HB3 LYS 25 1HB LYS 25 5.208 -1.825 -4.595 189 HG2 LYS 25 2HG LYS 25 5.868 -3.755 -6.086 190 HG3 LYS 25 1HG LYS 25 6.046 -2.596 -7.404 191 HD2 LYS 25 2HD LYS 25 7.499 -2.386 -4.751 192 HD3 LYS 25 1HD LYS 25 8.196 -3.108 -6.199 193 HE2 LYS 25 2HE LYS 25 7.581 -0.852 -7.351 194 HE3 LYS 25 1HE LYS 25 7.445 -0.231 -5.707 195 HZ1 LYS 25 3HZ LYS 25 9.714 -1.129 -5.311 196 HZ2 LYS 25 1HZ LYS 25 9.654 0.138 -6.437 197 HZ3 LYS 25 2HZ LYS 25 9.823 -1.468 -6.972 198 H MET 26 H MET 26 2.862 -3.695 -4.069 199 HA MET 26 HA MET 26 0.686 -2.030 -3.182 200 HB2 MET 26 2HB MET 26 1.746 -4.724 -2.485 201 HB3 MET 26 1HB MET 26 0.831 -3.887 -1.234 202 HG2 MET 26 2HG MET 26 -1.095 -3.720 -2.599 203 HG3 MET 26 1HG MET 26 -0.196 -4.141 -4.059 204 HE1 MET 26 3HE MET 26 -0.043 -6.640 -4.958 205 HE2 MET 26 1HE MET 26 -1.597 -5.793 -4.903 206 HE3 MET 26 2HE MET 26 -1.499 -7.496 -4.457 207 H GLY 27 H GLY 27 0.500 -1.798 -0.696 208 HA2 GLY 27 2HA GLY 27 3.014 -1.031 0.605 209 HA3 GLY 27 1HA GLY 27 1.855 0.265 0.301 210 H MET 28 H MET 28 2.883 -1.715 2.651 211 HA MET 28 HA MET 28 0.278 -2.432 3.768 212 HB2 MET 28 2HB MET 28 2.308 -3.945 3.813 213 HB3 MET 28 1HB MET 28 3.006 -2.838 4.984 214 HG2 MET 28 2HG MET 28 1.918 -4.593 6.215 215 HG3 MET 28 1HG MET 28 0.951 -3.135 6.389 216 HE1 MET 28 3HE MET 28 -1.784 -3.570 6.307 217 HE2 MET 28 1HE MET 28 -0.687 -4.499 7.339 218 HE3 MET 28 2HE MET 28 -1.982 -5.313 6.467 219 H GLU 29 H GLU 29 -0.395 -0.165 4.028 220 HA GLU 29 HA GLU 29 0.935 1.287 6.231 221 HB2 GLU 29 2HB GLU 29 0.407 2.498 4.110 222 HB3 GLU 29 1HB GLU 29 -1.305 2.200 4.411 223 HG2 GLU 29 2HG GLU 29 -1.200 3.436 6.506 224 HG3 GLU 29 1HG GLU 29 0.543 3.639 6.335 225 H ASN 30 H ASN 30 0.231 0.491 8.150 226 HA ASN 30 HA ASN 30 -2.373 -0.566 8.586 227 HB2 ASN 30 2HB ASN 30 -1.738 -0.430 11.006 228 HB3 ASN 30 1HB ASN 30 -0.559 -1.277 10.004 229 HD21 ASN 30 1HD2 ASN 30 -1.176 2.204 10.778 230 HD22 ASN 30 2HD2 ASN 30 0.446 2.543 11.172 231 H LYS 31 H LYS 31 -3.965 0.301 10.106 232 HA LYS 31 HA LYS 31 -4.618 3.023 9.461 233 HB2 LYS 31 2HB LYS 31 -6.601 2.618 10.923 234 HB3 LYS 31 1HB LYS 31 -6.410 1.424 9.641 235 HG2 LYS 31 2HG LYS 31 -6.688 -0.092 11.349 236 HG3 LYS 31 1HG LYS 31 -4.978 0.204 11.637 237 HD2 LYS 31 2HD LYS 31 -5.881 0.541 13.768 238 HD3 LYS 31 1HD LYS 31 -5.847 2.186 13.140 239 HE2 LYS 31 2HE LYS 31 -8.205 2.042 12.519 240 HE3 LYS 31 1HE LYS 31 -8.261 0.352 13.015 241 HZ1 LYS 31 3HZ LYS 31 -7.286 1.527 15.212 242 HZ2 LYS 31 1HZ LYS 31 -8.932 1.208 14.955 243 HZ3 LYS 31 2HZ LYS 31 -8.305 2.753 14.625 244 H PHE 32 H PHE 32 -2.508 1.760 11.656 245 HA PHE 32 HA PHE 32 -3.105 3.481 13.906 246 HB2 PHE 32 2HB PHE 32 -0.771 1.680 13.231 247 HB3 PHE 32 1HB PHE 32 -0.835 2.664 14.696 248 HD1 PHE 32 1HD PHE 32 -3.139 2.491 16.035 249 HD2 PHE 32 2HD PHE 32 -1.623 -0.501 13.351 250 HE1 PHE 32 1HE PHE 32 -4.552 0.782 17.141 251 HE2 PHE 32 2HE PHE 32 -3.037 -2.211 14.458 252 HZ PHE 32 HZ PHE 32 -4.502 -1.569 16.354 253 H GLY 33 H GLY 33 -2.321 4.390 11.009 254 HA2 GLY 33 2HA GLY 33 -1.325 6.273 10.130 255 HA3 GLY 33 1HA GLY 33 -1.077 6.822 11.787 256 H LYS 34 H LYS 34 0.143 3.733 10.787 257 HA LYS 34 HA LYS 34 2.873 4.799 10.426 258 HB2 LYS 34 2HB LYS 34 2.034 2.668 12.404 259 HB3 LYS 34 1HB LYS 34 3.705 2.943 11.910 260 HG2 LYS 34 2HG LYS 34 3.536 5.293 12.676 261 HG3 LYS 34 1HG LYS 34 1.883 4.987 13.211 262 HD2 LYS 34 2HD LYS 34 2.744 3.191 14.719 263 HD3 LYS 34 1HD LYS 34 4.387 3.629 14.247 264 HE2 LYS 34 2HE LYS 34 4.045 5.908 15.103 265 HE3 LYS 34 1HE LYS 34 2.386 5.503 15.545 266 HZ1 LYS 34 3HZ LYS 34 4.835 4.905 16.910 267 HZ2 LYS 34 1HZ LYS 34 3.857 3.536 16.701 268 HZ3 LYS 34 2HZ LYS 34 3.241 4.907 17.493 269 H SER 35 H SER 35 4.371 3.011 9.687 270 HA SER 35 HA SER 35 2.990 1.418 7.624 271 HB2 SER 35 2HB SER 35 4.852 2.980 6.992 272 HB3 SER 35 1HB SER 35 5.948 1.973 7.934 273 HG SER 35 HG SER 35 4.630 1.457 5.528 274 H MET 36 H MET 36 2.726 -0.704 7.890 275 HA MET 36 HA MET 36 4.220 -2.090 10.020 276 HB2 MET 36 2HB MET 36 1.591 -2.109 9.583 277 HB3 MET 36 1HB MET 36 2.012 -3.390 8.450 278 HG2 MET 36 2HG MET 36 2.538 -3.305 11.429 279 HG3 MET 36 1HG MET 36 1.551 -4.463 10.537 280 HE1 MET 36 3HE MET 36 4.634 -6.460 11.932 281 HE2 MET 36 1HE MET 36 2.875 -6.275 11.949 282 HE3 MET 36 2HE MET 36 3.903 -5.033 12.659 283 H ASN 37 H ASN 37 6.067 -3.021 9.370 284 HA ASN 37 HA ASN 37 6.638 -3.623 6.647 285 HB2 ASN 37 2HB ASN 37 8.383 -3.059 8.305 286 HB3 ASN 37 1HB ASN 37 8.072 -4.589 9.125 287 HD21 ASN 37 1HD2 ASN 37 7.958 -6.493 7.241 288 HD22 ASN 37 2HD2 ASN 37 9.325 -6.492 6.228 289 H MET 38 H MET 38 4.984 -5.010 5.926 290 HA MET 38 HA MET 38 4.760 -7.657 7.151 291 HB2 MET 38 2HB MET 38 2.678 -6.698 6.495 292 HB3 MET 38 1HB MET 38 3.283 -6.289 4.889 293 HG2 MET 38 2HG MET 38 3.428 -8.640 4.304 294 HG3 MET 38 1HG MET 38 3.056 -9.112 5.953 295 HE1 MET 38 3HE MET 38 0.833 -9.560 6.849 296 HE2 MET 38 1HE MET 38 -0.640 -8.686 6.399 297 HE3 MET 38 2HE MET 38 0.725 -7.818 7.098 298 HA PRO 39 HA PRO 39 7.893 -8.946 4.151 299 HB2 PRO 39 2HB PRO 39 7.983 -11.613 4.719 300 HB3 PRO 39 1HB PRO 39 8.696 -10.385 5.787 301 HG2 PRO 39 2HG PRO 39 6.067 -11.790 6.016 302 HG3 PRO 39 1HG PRO 39 7.264 -11.430 7.276 303 HD2 PRO 39 2HD PRO 39 5.018 -9.916 6.904 304 HD3 PRO 39 1HD PRO 39 6.531 -9.238 7.529 305 H GLU 40 H GLU 40 7.734 -9.463 2.039 306 HA GLU 40 HA GLU 40 5.383 -9.869 0.695 307 HB2 GLU 40 2HB GLU 40 6.756 -10.744 -1.179 308 HB3 GLU 40 1HB GLU 40 7.452 -9.292 -0.457 309 HG2 GLU 40 2HG GLU 40 8.861 -10.836 0.997 310 HG3 GLU 40 1HG GLU 40 8.318 -12.159 -0.037 311 H GLY 41 H GLY 41 4.020 -11.510 0.344 312 HA2 GLY 41 2HA GLY 41 3.685 -13.882 -0.169 313 HA3 GLY 41 1HA GLY 41 4.865 -14.261 1.082 314 H LYS 42 H LYS 42 3.603 -11.991 2.728 315 HA LYS 42 HA LYS 42 1.811 -13.674 4.197 316 HB2 LYS 42 2HB LYS 42 2.903 -10.921 4.468 317 HB3 LYS 42 1HB LYS 42 1.360 -11.204 5.261 318 HG2 LYS 42 2HG LYS 42 3.622 -13.167 5.632 319 HG3 LYS 42 1HG LYS 42 3.588 -11.681 6.572 320 HD2 LYS 42 2HD LYS 42 1.583 -12.242 7.655 321 HD3 LYS 42 1HD LYS 42 1.145 -13.436 6.432 322 HE2 LYS 42 2HE LYS 42 3.427 -13.684 8.415 323 HE3 LYS 42 1HE LYS 42 1.897 -14.557 8.484 324 HZ1 LYS 42 3HZ LYS 42 3.994 -14.768 6.400 325 HZ2 LYS 42 1HZ LYS 42 2.449 -15.451 6.243 326 HZ3 LYS 42 2HZ LYS 42 3.487 -15.976 7.480 327 H VAL 43 H VAL 43 0.266 -14.256 2.731 328 HA VAL 43 HA VAL 43 -1.240 -12.692 1.040 329 HB VAL 43 HB VAL 43 -2.409 -14.981 2.614 330 HG11 VAL 43 1HG1 VAL 43 -2.770 -14.034 -0.246 331 HG12 VAL 43 2HG1 VAL 43 -3.896 -13.722 1.073 332 HG13 VAL 43 3HG1 VAL 43 -3.626 -15.374 0.517 333 HG21 VAL 43 3HG2 VAL 43 -1.431 -16.369 0.692 334 HG22 VAL 43 1HG2 VAL 43 -0.283 -15.807 1.906 335 HG23 VAL 43 2HG2 VAL 43 -0.397 -14.981 0.353 336 H MET 44 H MET 44 -2.683 -11.129 1.274 337 HA MET 44 HA MET 44 -3.926 -10.695 3.935 338 HB2 MET 44 2HB MET 44 -3.694 -8.638 1.737 339 HB3 MET 44 1HB MET 44 -4.030 -8.380 3.437 340 HG2 MET 44 2HG MET 44 -1.778 -8.881 4.049 341 HG3 MET 44 1HG MET 44 -1.408 -9.526 2.453 342 HE1 MET 44 3HE MET 44 -1.511 -8.410 0.415 343 HE2 MET 44 1HE MET 44 -0.940 -6.764 0.131 344 HE3 MET 44 2HE MET 44 -2.655 -7.075 0.365 345 H GLU 45 H GLU 45 -6.157 -10.588 4.039 346 HA GLU 45 HA GLU 45 -7.638 -11.023 1.500 347 HB2 GLU 45 2HB GLU 45 -7.596 -13.086 2.741 348 HB3 GLU 45 1HB GLU 45 -8.044 -12.258 4.233 349 HG2 GLU 45 2HG GLU 45 -9.942 -13.463 3.121 350 HG3 GLU 45 1HG GLU 45 -10.244 -11.746 3.367 351 H THR 46 H THR 46 -9.045 -9.466 1.051 352 HA THR 46 HA THR 46 -9.743 -7.487 3.043 353 HB THR 46 HB THR 46 -10.803 -6.301 1.256 354 HG1 THR 46 1HG THR 46 -10.458 -8.628 -0.311 355 HG21 THR 46 3HG2 THR 46 -8.420 -7.753 0.079 356 HG22 THR 46 1HG2 THR 46 -8.297 -6.440 1.249 357 HG23 THR 46 2HG2 THR 46 -8.994 -6.139 -0.343 358 H ARG 47 H ARG 47 -11.941 -6.923 3.606 359 HA ARG 47 HA ARG 47 -13.483 -9.107 4.445 360 HB2 ARG 47 2HB ARG 47 -15.281 -7.435 4.855 361 HB3 ARG 47 1HB ARG 47 -13.725 -6.988 5.552 362 HG2 ARG 47 2HG ARG 47 -13.332 -5.317 3.954 363 HG3 ARG 47 1HG ARG 47 -14.449 -6.022 2.787 364 HD2 ARG 47 2HD ARG 47 -15.455 -4.024 3.753 365 HD3 ARG 47 1HD ARG 47 -16.340 -5.447 4.287 366 HE ARG 47 HE ARG 47 -15.512 -5.119 6.464 367 HH11 ARG 47 1HH2 ARG 47 -14.117 -2.921 4.176 368 HH12 ARG 47 2HH2 ARG 47 -13.431 -1.888 5.384 369 HH21 ARG 47 1HH1 ARG 47 -14.613 -3.766 8.047 370 HH22 ARG 47 2HH1 ARG 47 -13.711 -2.365 7.572 371 H ASP 48 H ASP 48 -13.436 -7.365 1.438 372 HA ASP 48 HA ASP 48 -15.989 -8.223 0.483 373 HB2 ASP 48 2HB ASP 48 -14.809 -6.278 -0.468 374 HB3 ASP 48 1HB ASP 48 -13.537 -7.347 -1.065 375 H GLY 49 H GLY 49 -13.245 -9.918 1.201 376 HA2 GLY 49 2HA GLY 49 -12.804 -12.179 0.913 377 HA3 GLY 49 1HA GLY 49 -14.171 -12.272 -0.199 378 H THR 50 H THR 50 -11.392 -10.075 -0.385 379 HA THR 50 HA THR 50 -10.683 -11.291 -3.003 380 HB THR 50 HB THR 50 -10.019 -8.503 -2.039 381 HG1 THR 50 1HG THR 50 -12.362 -9.480 -2.731 382 HG21 THR 50 3HG2 THR 50 -9.983 -9.851 -4.750 383 HG22 THR 50 1HG2 THR 50 -8.576 -9.363 -3.806 384 HG23 THR 50 2HG2 THR 50 -9.659 -8.140 -4.470 385 H LYS 51 H LYS 51 -8.929 -12.523 -2.902 386 HA LYS 51 HA LYS 51 -7.033 -12.269 -0.730 387 HB2 LYS 51 2HB LYS 51 -7.868 -14.429 -2.003 388 HB3 LYS 51 1HB LYS 51 -6.567 -14.036 -3.122 389 HG2 LYS 51 2HG LYS 51 -5.443 -15.401 -1.596 390 HG3 LYS 51 1HG LYS 51 -5.132 -13.811 -0.913 391 HD2 LYS 51 2HD LYS 51 -5.875 -14.958 0.983 392 HD3 LYS 51 1HD LYS 51 -7.387 -14.263 0.411 393 HE2 LYS 51 2HE LYS 51 -7.629 -16.664 0.977 394 HE3 LYS 51 1HE LYS 51 -7.946 -16.363 -0.728 395 HZ1 LYS 51 3HZ LYS 51 -6.075 -17.426 -1.366 396 HZ2 LYS 51 1HZ LYS 51 -6.312 -18.255 0.094 397 HZ3 LYS 51 2HZ LYS 51 -5.197 -16.976 0.016 398 H ILE 52 H ILE 52 -5.488 -10.811 -0.751 399 HA ILE 52 HA ILE 52 -4.103 -10.177 -3.300 400 HB ILE 52 HB ILE 52 -3.772 -7.855 -2.042 401 HG12 ILE 52 2HG1 ILE 52 -6.471 -8.721 -0.982 402 HG13 ILE 52 1HG1 ILE 52 -5.012 -8.794 -0.017 403 HG21 ILE 52 1HG2 ILE 52 -6.426 -8.589 -3.293 404 HG22 ILE 52 2HG2 ILE 52 -4.963 -8.209 -4.205 405 HG23 ILE 52 3HG2 ILE 52 -5.721 -6.976 -3.196 406 HD11 ILE 52 3HD1 ILE 52 -6.287 -6.348 -1.241 407 HD12 ILE 52 1HD1 ILE 52 -4.671 -6.334 -0.539 408 HD13 ILE 52 2HD1 ILE 52 -6.066 -6.697 0.474 409 H ILE 53 H ILE 53 -2.000 -10.557 -3.235 410 HA ILE 53 HA ILE 53 -0.724 -11.281 -0.711 411 HB ILE 53 HB ILE 53 0.395 -11.308 -3.520 412 HG12 ILE 53 2HG1 ILE 53 -0.774 -13.587 -1.892 413 HG13 ILE 53 1HG1 ILE 53 -1.648 -12.744 -3.173 414 HG21 ILE 53 1HG2 ILE 53 1.283 -12.584 -0.916 415 HG22 ILE 53 2HG2 ILE 53 2.129 -11.320 -1.807 416 HG23 ILE 53 3HG2 ILE 53 1.992 -12.938 -2.493 417 HD11 ILE 53 3HD1 ILE 53 0.956 -14.267 -3.489 418 HD12 ILE 53 1HD1 ILE 53 0.160 -13.354 -4.772 419 HD13 ILE 53 2HD1 ILE 53 -0.628 -14.773 -4.081 420 H MET 54 H MET 54 1.053 -10.277 0.187 421 HA MET 54 HA MET 54 1.263 -7.453 -0.239 422 HB2 MET 54 2HB MET 54 1.618 -8.598 1.971 423 HB3 MET 54 1HB MET 54 3.128 -9.255 1.332 424 HG2 MET 54 2HG MET 54 3.774 -7.288 2.495 425 HG3 MET 54 1HG MET 54 3.767 -6.818 0.803 426 HE1 MET 54 3HE MET 54 2.212 -3.551 1.292 427 HE2 MET 54 1HE MET 54 3.048 -4.674 0.213 428 HE3 MET 54 2HE MET 54 3.747 -4.266 1.777 429 H LYS 55 H LYS 55 1.779 -7.411 -2.494 430 HA LYS 55 HA LYS 55 4.187 -8.564 -3.523 431 HB2 LYS 55 2HB LYS 55 2.104 -7.892 -4.847 432 HB3 LYS 55 1HB LYS 55 2.666 -6.230 -4.692 433 HG2 LYS 55 2HG LYS 55 3.644 -6.809 -6.722 434 HG3 LYS 55 1HG LYS 55 4.941 -7.225 -5.610 435 HD2 LYS 55 2HD LYS 55 4.821 -9.169 -6.898 436 HD3 LYS 55 1HD LYS 55 3.758 -9.592 -5.560 437 HE2 LYS 55 2HE LYS 55 1.791 -8.988 -6.876 438 HE3 LYS 55 1HE LYS 55 2.813 -8.415 -8.193 439 HZ1 LYS 55 3HZ LYS 55 3.019 -10.466 -8.958 440 HZ2 LYS 55 1HZ LYS 55 1.866 -10.972 -7.822 441 HZ3 LYS 55 2HZ LYS 55 3.520 -11.056 -7.445 442 H GLY 56 H GLY 56 3.277 -5.153 -3.205 443 HA2 GLY 56 2HA GLY 56 5.952 -4.204 -3.387 444 HA3 GLY 56 1HA GLY 56 4.540 -3.260 -2.945 445 H ASN 57 H ASN 57 6.729 -5.732 -1.563 446 HA ASN 57 HA ASN 57 6.053 -5.084 1.138 447 HB2 ASN 57 2HB ASN 57 7.003 -7.258 0.627 448 HB3 ASN 57 1HB ASN 57 8.463 -6.507 -0.020 449 HD21 ASN 57 1HD2 ASN 57 6.859 -5.235 2.876 450 HD22 ASN 57 2HD2 ASN 57 8.083 -5.700 3.966 451 H GLU 58 H GLU 58 7.643 -3.358 -1.185 452 HA GLU 58 HA GLU 58 9.697 -2.163 0.482 453 HB2 GLU 58 2HB GLU 58 8.656 -1.363 -2.248 454 HB3 GLU 58 1HB GLU 58 10.093 -0.708 -1.462 455 HG2 GLU 58 2HG GLU 58 11.118 -2.938 -1.431 456 HG3 GLU 58 1HG GLU 58 9.673 -3.627 -2.168 457 H ILE 59 H ILE 59 7.714 -1.794 2.038 458 HA ILE 59 HA ILE 59 5.850 0.227 1.622 459 HB ILE 59 HB ILE 59 5.876 0.460 4.116 460 HG12 ILE 59 2HG1 ILE 59 8.031 -1.670 3.992 461 HG13 ILE 59 1HG1 ILE 59 8.385 0.036 4.274 462 HG21 ILE 59 1HG2 ILE 59 5.998 -2.425 3.203 463 HG22 ILE 59 2HG2 ILE 59 4.640 -1.357 2.844 464 HG23 ILE 59 3HG2 ILE 59 5.032 -1.756 4.517 465 HD11 ILE 59 3HD1 ILE 59 8.071 -1.514 6.340 466 HD12 ILE 59 1HD1 ILE 59 6.350 -1.403 5.972 467 HD13 ILE 59 2HD1 ILE 59 7.268 0.056 6.344 468 H PHE 60 H PHE 60 9.250 0.453 1.970 469 HA PHE 60 HA PHE 60 9.695 2.908 3.138 470 HB2 PHE 60 2HB PHE 60 11.079 1.742 0.710 471 HB3 PHE 60 1HB PHE 60 11.702 3.064 1.700 472 HD1 PHE 60 1HD PHE 60 12.465 2.673 4.001 473 HD2 PHE 60 2HD PHE 60 11.020 -0.544 1.550 474 HE1 PHE 60 1HE PHE 60 13.422 1.030 5.592 475 HE2 PHE 60 2HE PHE 60 11.977 -2.187 3.140 476 HZ PHE 60 HZ PHE 60 13.179 -1.400 5.162 477 H ARG 61 H ARG 61 8.300 2.203 0.019 478 HA ARG 61 HA ARG 61 8.646 4.596 -1.334 479 HB2 ARG 61 2HB ARG 61 6.187 2.831 -1.306 480 HB3 ARG 61 1HB ARG 61 6.567 4.033 -2.536 481 HG2 ARG 61 2HG ARG 61 8.563 1.863 -1.889 482 HG3 ARG 61 1HG ARG 61 7.204 1.516 -2.954 483 HD2 ARG 61 2HD ARG 61 9.293 3.676 -3.360 484 HD3 ARG 61 1HD ARG 61 9.126 2.192 -4.291 485 HE ARG 61 HE ARG 61 6.693 3.621 -4.415 486 HH11 ARG 61 1HH2 ARG 61 9.993 3.777 -5.444 487 HH12 ARG 61 2HH2 ARG 61 9.649 4.688 -6.876 488 HH21 ARG 61 1HH1 ARG 61 6.233 4.815 -6.292 489 HH22 ARG 61 2HH1 ARG 61 7.519 5.276 -7.356 490 H LEU 62 H LEU 62 6.465 3.860 1.328 491 HA LEU 62 HA LEU 62 4.645 5.937 1.163 492 HB2 LEU 62 2HB LEU 62 5.999 4.814 3.625 493 HB3 LEU 62 1HB LEU 62 4.580 5.856 3.665 494 HG LEU 62 HG LEU 62 4.548 3.332 2.006 495 HD11 LEU 62 1HD1 LEU 62 3.674 2.084 3.910 496 HD12 LEU 62 2HD1 LEU 62 3.832 3.501 4.948 497 HD13 LEU 62 3HD1 LEU 62 5.272 2.709 4.312 498 HD21 LEU 62 3HD2 LEU 62 2.672 4.866 1.707 499 HD22 LEU 62 1HD2 LEU 62 2.438 4.978 3.450 500 HD23 LEU 62 2HD2 LEU 62 2.109 3.465 2.610 501 H ASP 63 H ASP 63 8.027 6.027 2.055 502 HA ASP 63 HA ASP 63 7.976 8.691 3.126 503 HB2 ASP 63 2HB ASP 63 10.289 7.033 2.091 504 HB3 ASP 63 1HB ASP 63 10.432 8.527 3.017 505 H GLU 64 H GLU 64 9.220 10.486 2.141 506 HA GLU 64 HA GLU 64 8.240 11.138 -0.419 507 HB2 GLU 64 2HB GLU 64 9.006 12.744 1.394 508 HB3 GLU 64 1HB GLU 64 10.659 12.385 0.892 509 HG2 GLU 64 2HG GLU 64 9.992 14.350 -0.312 510 HG3 GLU 64 1HG GLU 64 9.964 13.017 -1.466 511 H ALA 65 H ALA 65 8.928 10.614 -2.391 512 HA ALA 65 HA ALA 65 11.673 10.358 -3.103 513 HB1 ALA 65 1HB ALA 65 11.642 7.939 -3.664 514 HB2 ALA 65 2HB ALA 65 10.081 7.795 -2.855 515 HB3 ALA 65 3HB ALA 65 11.517 8.230 -1.929 516 H LEU 66 H LEU 66 10.221 11.974 -4.378 517 HA LEU 66 HA LEU 66 8.527 10.892 -6.421 518 HB2 LEU 66 2HB LEU 66 9.856 13.595 -6.526 519 HB3 LEU 66 1HB LEU 66 8.292 13.111 -7.182 520 HG LEU 66 HG LEU 66 9.016 13.340 -4.247 521 HD11 LEU 66 1HD1 LEU 66 8.635 15.506 -5.296 522 HD12 LEU 66 2HD1 LEU 66 7.239 15.101 -4.296 523 HD13 LEU 66 3HD1 LEU 66 7.155 14.916 -6.049 524 HD21 LEU 66 3HD2 LEU 66 6.555 12.311 -5.677 525 HD22 LEU 66 1HD2 LEU 66 6.487 12.907 -4.017 526 HD23 LEU 66 2HD2 LEU 66 7.494 11.515 -4.414 527 H ARG 67 H ARG 67 10.898 9.473 -6.483 528 HA ARG 67 HA ARG 67 12.827 10.418 -8.310 529 HB2 ARG 67 2HB ARG 67 13.437 8.024 -8.564 530 HB3 ARG 67 1HB ARG 67 13.266 8.498 -6.874 531 HG2 ARG 67 2HG ARG 67 10.916 7.628 -6.922 532 HG3 ARG 67 1HG ARG 67 11.215 7.032 -8.557 533 HD2 ARG 67 2HD ARG 67 12.833 6.253 -6.114 534 HD3 ARG 67 1HD ARG 67 11.548 5.274 -6.819 535 HE ARG 67 HE ARG 67 13.429 5.908 -8.832 536 HH11 ARG 67 1HH2 ARG 67 13.077 4.066 -5.924 537 HH12 ARG 67 2HH2 ARG 67 14.222 2.854 -6.389 538 HH21 ARG 67 1HH1 ARG 67 14.932 4.321 -9.450 539 HH22 ARG 67 2HH1 ARG 67 15.272 2.998 -8.384 540 H LYS 68 H LYS 68 13.105 10.050 -10.521 541 HA LYS 68 HA LYS 68 10.737 10.130 -12.096 542 HB2 LYS 68 2HB LYS 68 13.625 9.716 -12.902 543 HB3 LYS 68 1HB LYS 68 12.302 10.051 -14.020 544 HG2 LYS 68 2HG LYS 68 11.845 12.140 -12.589 545 HG3 LYS 68 1HG LYS 68 13.429 11.851 -11.871 546 HD2 LYS 68 2HD LYS 68 12.824 12.330 -14.803 547 HD3 LYS 68 1HD LYS 68 13.700 13.405 -13.714 548 HE2 LYS 68 2HE LYS 68 15.414 12.298 -14.897 549 HE3 LYS 68 1HE LYS 68 15.324 11.410 -13.376 550 HZ1 LYS 68 3HZ LYS 68 13.516 10.429 -15.381 551 HZ2 LYS 68 1HZ LYS 68 14.622 9.584 -14.412 552 HZ3 LYS 68 2HZ LYS 68 15.146 10.321 -15.849 553 H GLY 69 H GLY 69 9.629 8.189 -11.502 554 HA2 GLY 69 2HA GLY 69 10.775 5.600 -11.952 555 HA3 GLY 69 1HA GLY 69 9.075 5.950 -11.650 556 H HIS 70 H HIS 70 8.651 4.315 -13.296 557 HA HIS 70 HA HIS 70 8.112 3.636 -15.425 558 HB2 HIS 70 2HB HIS 70 6.730 5.697 -15.265 559 HB3 HIS 70 1HB HIS 70 8.064 6.614 -15.965 560 HD2 HIS 70 2HD HIS 70 8.705 5.805 -18.713 561 HE1 HIS 70 1HE HIS 70 4.960 3.955 -19.332 562 HE2 HIS 70 2HE HIS 70 7.065 4.796 -20.477 563 H SER 71 H SER 71 9.969 2.606 -16.090 564 HA SER 71 HA SER 71 11.395 3.766 -18.264 565 HB2 SER 71 2HB SER 71 13.650 3.744 -17.214 566 HB3 SER 71 1HB SER 71 12.589 4.972 -16.527 567 HG SER 71 HG SER 71 13.869 3.166 -15.211 568 H GLU 72 H GLU 72 12.138 1.455 -15.640 569 HA GLU 72 HA GLU 72 12.725 -0.766 -15.700 570 HB2 GLU 72 2HB GLU 72 10.957 -0.831 -18.156 571 HB3 GLU 72 1HB GLU 72 11.378 -2.191 -17.115 572 HG2 GLU 72 2HG GLU 72 10.258 -1.060 -15.212 573 HG3 GLU 72 1HG GLU 72 9.797 0.260 -16.285 574 H GLY 73 H GLY 73 14.927 -0.235 -16.221 575 HA2 GLY 73 2HA GLY 73 15.961 -1.643 -18.428 576 HA3 GLY 73 1HA GLY 73 15.942 0.072 -18.825 577 H GLY 74 H GLY 74 17.164 -2.319 -16.531 578 HA2 GLY 74 2HA GLY 74 19.069 -2.368 -15.241 579 HA3 GLY 74 1HA GLY 74 19.735 -1.185 -16.365 580 H1 HOH 201 H2 HOH 77 5.399 7.212 -18.207 581 H2 HOH 201 H1 HOH 77 5.409 7.556 -16.732 Start of MODEL 20 1 H1 VAL 1 1H VAL 1 -1.641 16.779 -13.722 2 H2 VAL 1 2H VAL 1 -3.242 16.953 -14.260 3 HA VAL 1 HA VAL 1 -2.394 15.556 -11.781 4 HB VAL 1 HB VAL 1 -3.903 18.164 -12.126 5 HG11 VAL 1 2HG1 VAL 1 -3.371 18.356 -9.678 6 HG12 VAL 1 3HG1 VAL 1 -2.743 16.710 -9.730 7 HG13 VAL 1 1HG1 VAL 1 -4.450 17.013 -10.058 8 HG21 VAL 1 1HG2 VAL 1 -1.781 19.187 -11.251 9 HG22 VAL 1 2HG2 VAL 1 -1.605 18.487 -12.859 10 HG23 VAL 1 3HG2 VAL 1 -0.994 17.623 -11.447 11 H ASP 2 H ASP 2 -3.671 13.742 -12.081 12 HA ASP 2 HA ASP 2 -6.397 13.918 -11.396 13 HB2 ASP 2 2HB ASP 2 -7.282 13.007 -13.631 14 HB3 ASP 2 1HB ASP 2 -6.915 14.730 -13.554 15 H MET 3 H MET 3 -3.753 12.135 -12.828 16 HA MET 3 HA MET 3 -4.923 9.536 -12.503 17 HB2 MET 3 2HB MET 3 -3.055 10.135 -14.108 18 HB3 MET 3 1HB MET 3 -1.981 10.190 -12.711 19 HG2 MET 3 2HG MET 3 -1.805 7.977 -13.632 20 HG3 MET 3 1HG MET 3 -2.756 7.841 -12.153 21 HE1 MET 3 3HE MET 3 -4.021 5.708 -12.552 22 HE2 MET 3 1HE MET 3 -2.852 5.504 -13.863 23 HE3 MET 3 2HE MET 3 -4.561 5.174 -14.140 24 H SER 4 H SER 4 -2.461 11.385 -10.706 25 HA SER 4 HA SER 4 -2.246 9.409 -8.629 26 HB2 SER 4 2HB SER 4 -0.370 10.900 -9.174 27 HB3 SER 4 1HB SER 4 -1.333 12.296 -8.700 28 HG SER 4 HG SER 4 -1.295 10.323 -6.812 29 H ASN 5 H ASN 5 -4.659 11.528 -9.394 30 HA ASN 5 HA ASN 5 -5.389 12.750 -6.990 31 HB2 ASN 5 2HB ASN 5 -6.468 13.232 -9.152 32 HB3 ASN 5 1HB ASN 5 -7.208 11.633 -9.136 33 HD21 ASN 5 1HD2 ASN 5 -7.805 14.846 -8.338 34 HD22 ASN 5 2HD2 ASN 5 -9.050 14.602 -7.208 35 H VAL 6 H VAL 6 -7.264 10.019 -8.255 36 HA VAL 6 HA VAL 6 -8.007 9.195 -5.607 37 HB VAL 6 HB VAL 6 -9.569 8.932 -7.458 38 HG11 VAL 6 1HG1 VAL 6 -7.745 6.804 -8.591 39 HG12 VAL 6 2HG1 VAL 6 -7.659 8.481 -9.131 40 HG13 VAL 6 3HG1 VAL 6 -9.146 7.561 -9.347 41 HG21 VAL 6 3HG2 VAL 6 -9.511 7.289 -5.518 42 HG22 VAL 6 1HG2 VAL 6 -8.632 6.189 -6.580 43 HG23 VAL 6 2HG2 VAL 6 -10.275 6.683 -6.987 44 H VAL 7 H VAL 7 -6.939 7.872 -4.298 45 HA VAL 7 HA VAL 7 -4.601 6.413 -5.297 46 HB VAL 7 HB VAL 7 -4.131 6.029 -2.901 47 HG11 VAL 7 1HG1 VAL 7 -3.896 8.486 -2.289 48 HG12 VAL 7 2HG1 VAL 7 -4.767 8.856 -3.778 49 HG13 VAL 7 3HG1 VAL 7 -3.210 8.033 -3.849 50 HG21 VAL 7 3HG2 VAL 7 -6.436 5.902 -2.081 51 HG22 VAL 7 1HG2 VAL 7 -6.710 7.585 -2.524 52 HG23 VAL 7 2HG2 VAL 7 -5.579 7.189 -1.232 53 H LYS 8 H LYS 8 -4.284 4.220 -4.048 54 HA LYS 8 HA LYS 8 -6.648 2.567 -4.663 55 HB2 LYS 8 2HB LYS 8 -4.276 2.153 -5.632 56 HB3 LYS 8 1HB LYS 8 -3.884 1.530 -4.032 57 HG2 LYS 8 2HG LYS 8 -4.589 -0.416 -5.095 58 HG3 LYS 8 1HG LYS 8 -6.103 0.118 -4.364 59 HD2 LYS 8 2HD LYS 8 -6.802 1.138 -6.477 60 HD3 LYS 8 1HD LYS 8 -5.249 0.740 -7.212 61 HE2 LYS 8 2HE LYS 8 -6.974 -0.900 -7.855 62 HE3 LYS 8 1HE LYS 8 -5.706 -1.660 -6.890 63 HZ1 LYS 8 3HZ LYS 8 -8.023 -2.236 -6.225 64 HZ2 LYS 8 1HZ LYS 8 -8.237 -0.624 -5.741 65 HZ3 LYS 8 2HZ LYS 8 -7.072 -1.594 -4.972 66 H THR 9 H THR 9 -7.376 0.964 -3.185 67 HA THR 9 HA THR 9 -6.310 0.956 -0.473 68 HB THR 9 HB THR 9 -9.173 1.796 -0.963 69 HG1 THR 9 1HG THR 9 -7.749 3.626 0.294 70 HG21 THR 9 3HG2 THR 9 -8.828 0.563 1.122 71 HG22 THR 9 1HG2 THR 9 -9.096 2.270 1.476 72 HG23 THR 9 2HG2 THR 9 -7.464 1.604 1.534 73 H TYR 10 H TYR 10 -6.872 -0.841 0.703 74 HA TYR 10 HA TYR 10 -8.827 -2.735 -0.410 75 HB2 TYR 10 2HB TYR 10 -5.906 -3.323 0.093 76 HB3 TYR 10 1HB TYR 10 -7.126 -4.590 0.042 77 HD1 TYR 10 2HD TYR 10 -8.810 -4.348 -2.063 78 HD2 TYR 10 1HD TYR 10 -4.773 -2.880 -1.913 79 HE1 TYR 10 2HE TYR 10 -8.715 -4.356 -4.538 80 HE2 TYR 10 1HE TYR 10 -4.683 -2.883 -4.391 81 HH TYR 10 HH TYR 10 -6.451 -4.527 -6.287 82 H ASP 11 H ASP 11 -10.192 -2.522 1.313 83 HA ASP 11 HA ASP 11 -9.465 -2.252 4.002 84 HB2 ASP 11 2HB ASP 11 -11.961 -3.364 2.719 85 HB3 ASP 11 1HB ASP 11 -11.797 -3.085 4.451 86 H LEU 12 H LEU 12 -7.945 -3.674 4.723 87 HA LEU 12 HA LEU 12 -8.122 -6.516 4.314 88 HB2 LEU 12 2HB LEU 12 -6.240 -4.598 5.430 89 HB3 LEU 12 1HB LEU 12 -6.385 -5.983 6.501 90 HG LEU 12 HG LEU 12 -5.732 -7.510 4.756 91 HD11 LEU 12 1HD1 LEU 12 -6.363 -5.226 2.952 92 HD12 LEU 12 2HD1 LEU 12 -6.577 -6.959 2.701 93 HD13 LEU 12 3HD1 LEU 12 -4.992 -6.234 2.485 94 HD21 LEU 12 3HD2 LEU 12 -4.036 -5.083 5.217 95 HD22 LEU 12 1HD2 LEU 12 -3.523 -6.171 3.933 96 HD23 LEU 12 2HD2 LEU 12 -3.709 -6.777 5.574 97 H GLN 13 H GLN 13 -8.333 -8.089 6.042 98 HA GLN 13 HA GLN 13 -10.606 -7.484 7.716 99 HB2 GLN 13 2HB GLN 13 -8.936 -9.963 7.288 100 HB3 GLN 13 1HB GLN 13 -10.258 -9.896 8.457 101 HG2 GLN 13 2HG GLN 13 -11.834 -9.294 6.685 102 HG3 GLN 13 1HG GLN 13 -10.526 -9.264 5.503 103 HE21 GLN 13 1HE2 GLN 13 -10.755 -11.700 8.085 104 HE22 GLN 13 2HE2 GLN 13 -11.057 -13.012 7.045 105 H ASP 14 H ASP 14 -7.230 -7.270 8.071 106 HA ASP 14 HA ASP 14 -7.194 -7.748 10.941 107 HB2 ASP 14 2HB ASP 14 -4.817 -6.982 10.743 108 HB3 ASP 14 1HB ASP 14 -5.215 -8.355 9.707 109 H GLY 15 H GLY 15 -8.633 -5.433 9.346 110 HA2 GLY 15 2HA GLY 15 -9.457 -3.409 10.166 111 HA3 GLY 15 1HA GLY 15 -8.256 -3.467 11.455 112 H SER 16 H SER 16 -6.319 -4.088 9.046 113 HA SER 16 HA SER 16 -5.530 -1.299 8.695 114 HB2 SER 16 2HB SER 16 -3.946 -3.281 9.192 115 HB3 SER 16 1HB SER 16 -4.137 -3.684 7.485 116 HG SER 16 HG SER 16 -3.273 -1.731 6.936 117 H LYS 17 H LYS 17 -4.518 -0.943 6.352 118 HA LYS 17 HA LYS 17 -6.269 -1.965 4.235 119 HB2 LYS 17 2HB LYS 17 -5.925 1.017 4.565 120 HB3 LYS 17 1HB LYS 17 -7.043 0.151 3.511 121 HG2 LYS 17 2HG LYS 17 -8.187 -0.751 5.546 122 HG3 LYS 17 1HG LYS 17 -7.122 0.241 6.533 123 HD2 LYS 17 2HD LYS 17 -8.995 1.629 6.349 124 HD3 LYS 17 1HD LYS 17 -7.987 2.218 5.029 125 HE2 LYS 17 2HE LYS 17 -9.243 0.889 3.417 126 HE3 LYS 17 1HE LYS 17 -10.174 0.137 4.711 127 HZ1 LYS 17 3HZ LYS 17 -10.132 3.067 4.380 128 HZ2 LYS 17 1HZ LYS 17 -11.283 2.102 5.167 129 HZ3 LYS 17 2HZ LYS 17 -11.196 2.103 3.470 130 H VAL 18 H VAL 18 -5.112 -2.334 2.463 131 HA VAL 18 HA VAL 18 -2.327 -1.519 2.388 132 HB VAL 18 HB VAL 18 -3.612 -2.854 0.032 133 HG11 VAL 18 1HG1 VAL 18 -1.066 -3.487 1.530 134 HG12 VAL 18 2HG1 VAL 18 -1.152 -2.302 0.226 135 HG13 VAL 18 3HG1 VAL 18 -1.512 -3.998 -0.099 136 HG21 VAL 18 3HG2 VAL 18 -3.065 -4.271 2.650 137 HG22 VAL 18 1HG2 VAL 18 -3.514 -5.045 1.127 138 HG23 VAL 18 2HG2 VAL 18 -4.659 -3.990 1.952 139 H HIS 19 H HIS 19 -1.380 -0.428 0.572 140 HA HIS 19 HA HIS 19 -3.158 1.198 -1.111 141 HB2 HIS 19 2HB HIS 19 -2.867 2.911 0.414 142 HB3 HIS 19 1HB HIS 19 -1.417 2.188 1.097 143 HD1 HIS 19 1HD HIS 19 -2.531 4.221 -1.914 144 HD2 HIS 19 2HD HIS 19 0.971 3.229 0.122 145 HE1 HIS 19 1HE HIS 19 -0.689 5.637 -2.927 146 HE2 HIS 19 2HE HIS 19 1.451 5.045 -1.697 147 H VAL 20 H VAL 20 -2.491 0.798 -3.114 148 HA VAL 20 HA VAL 20 0.346 0.130 -3.559 149 HB VAL 20 HB VAL 20 -0.298 -1.344 -5.202 150 HG11 VAL 20 1HG1 VAL 20 -1.579 -1.678 -2.909 151 HG12 VAL 20 2HG1 VAL 20 -1.953 -2.702 -4.293 152 HG13 VAL 20 3HG1 VAL 20 -2.991 -1.348 -3.886 153 HG21 VAL 20 3HG2 VAL 20 -1.336 -0.023 -6.832 154 HG22 VAL 20 1HG2 VAL 20 -2.562 0.569 -5.713 155 HG23 VAL 20 2HG2 VAL 20 -2.653 -1.080 -6.327 156 H PHE 21 H PHE 21 1.575 1.144 -5.065 157 HA PHE 21 HA PHE 21 0.726 3.815 -5.830 158 HB2 PHE 21 2HB PHE 21 3.327 2.315 -6.203 159 HB3 PHE 21 1HB PHE 21 3.071 3.998 -6.661 160 HD1 PHE 21 1HD PHE 21 3.089 1.630 -3.794 161 HD2 PHE 21 2HD PHE 21 3.069 5.746 -5.028 162 HE1 PHE 21 1HE PHE 21 3.543 2.333 -1.460 163 HE2 PHE 21 2HE PHE 21 3.522 6.448 -2.693 164 HZ PHE 21 HZ PHE 21 3.759 4.741 -0.910 165 H LYS 22 H LYS 22 1.897 4.354 -8.153 166 HA LYS 22 HA LYS 22 0.150 3.151 -10.080 167 HB2 LYS 22 2HB LYS 22 2.492 5.038 -10.429 168 HB3 LYS 22 1HB LYS 22 1.347 4.600 -11.697 169 HG2 LYS 22 2HG LYS 22 -0.491 5.577 -10.463 170 HG3 LYS 22 1HG LYS 22 0.540 5.854 -9.060 171 HD2 LYS 22 2HD LYS 22 1.944 7.387 -10.415 172 HD3 LYS 22 1HD LYS 22 0.859 7.145 -11.786 173 HE2 LYS 22 2HE LYS 22 0.197 9.189 -10.679 174 HE3 LYS 22 1HE LYS 22 -1.031 7.970 -10.335 175 HZ1 LYS 22 3HZ LYS 22 -0.294 9.263 -8.368 176 HZ2 LYS 22 1HZ LYS 22 1.247 8.574 -8.533 177 HZ3 LYS 22 2HZ LYS 22 -0.092 7.584 -8.200 178 H ASP 23 H ASP 23 3.278 2.431 -8.882 179 HA ASP 23 HA ASP 23 4.239 1.051 -11.225 180 HB2 ASP 23 2HB ASP 23 5.180 0.957 -8.347 181 HB3 ASP 23 1HB ASP 23 6.036 0.269 -9.726 182 H GLY 24 H GLY 24 1.794 0.400 -9.152 183 HA2 GLY 24 2HA GLY 24 0.467 -1.512 -9.062 184 HA3 GLY 24 1HA GLY 24 1.742 -2.414 -9.871 185 H LYS 25 H LYS 25 3.587 -1.101 -7.702 186 HA LYS 25 HA LYS 25 3.690 -3.368 -5.985 187 HB2 LYS 25 2HB LYS 25 4.876 -0.589 -5.808 188 HB3 LYS 25 1HB LYS 25 5.197 -1.830 -4.603 189 HG2 LYS 25 2HG LYS 25 5.602 -2.509 -7.507 190 HG3 LYS 25 1HG LYS 25 6.816 -1.526 -6.692 191 HD2 LYS 25 2HD LYS 25 7.208 -3.236 -5.041 192 HD3 LYS 25 1HD LYS 25 5.834 -4.183 -5.612 193 HE2 LYS 25 2HE LYS 25 8.332 -3.556 -7.212 194 HE3 LYS 25 1HE LYS 25 7.947 -5.110 -6.473 195 HZ1 LYS 25 3HZ LYS 25 7.307 -5.198 -8.745 196 HZ2 LYS 25 1HZ LYS 25 6.459 -3.734 -8.638 197 HZ3 LYS 25 2HZ LYS 25 5.881 -5.110 -7.826 198 H MET 26 H MET 26 2.966 -3.631 -3.875 199 HA MET 26 HA MET 26 0.640 -2.055 -3.148 200 HB2 MET 26 2HB MET 26 1.808 -4.674 -2.335 201 HB3 MET 26 1HB MET 26 0.847 -3.835 -1.118 202 HG2 MET 26 2HG MET 26 -1.080 -3.843 -2.462 203 HG3 MET 26 1HG MET 26 -0.174 -4.190 -3.934 204 HE1 MET 26 3HE MET 26 -1.176 -7.659 -4.340 205 HE2 MET 26 1HE MET 26 0.136 -6.594 -4.869 206 HE3 MET 26 2HE MET 26 -1.514 -5.979 -4.754 207 H GLY 27 H GLY 27 0.480 -1.896 -0.555 208 HA2 GLY 27 2HA GLY 27 2.927 -0.938 0.688 209 HA3 GLY 27 1HA GLY 27 1.750 0.320 0.318 210 H MET 28 H MET 28 2.798 -1.632 2.720 211 HA MET 28 HA MET 28 0.185 -2.196 3.922 212 HB2 MET 28 2HB MET 28 2.208 -3.793 3.916 213 HB3 MET 28 1HB MET 28 2.887 -2.739 5.150 214 HG2 MET 28 2HG MET 28 1.712 -4.508 6.280 215 HG3 MET 28 1HG MET 28 0.766 -3.037 6.465 216 HE1 MET 28 3HE MET 28 -2.062 -5.371 6.438 217 HE2 MET 28 1HE MET 28 -2.008 -3.605 6.368 218 HE3 MET 28 2HE MET 28 -0.832 -4.491 7.334 219 H GLU 29 H GLU 29 -0.512 -0.048 4.366 220 HA GLU 29 HA GLU 29 1.061 1.429 6.401 221 HB2 GLU 29 2HB GLU 29 -0.671 3.276 5.752 222 HB3 GLU 29 1HB GLU 29 0.654 2.920 4.646 223 HG2 GLU 29 2HG GLU 29 -0.755 1.563 3.255 224 HG3 GLU 29 1HG GLU 29 -2.063 1.607 4.434 225 H ASN 30 H ASN 30 0.454 0.895 8.404 226 HA ASN 30 HA ASN 30 -2.133 -0.144 9.041 227 HB2 ASN 30 2HB ASN 30 -1.358 -0.050 11.367 228 HB3 ASN 30 1HB ASN 30 -0.127 -0.761 10.320 229 HD21 ASN 30 1HD2 ASN 30 -1.065 2.587 11.319 230 HD22 ASN 30 2HD2 ASN 30 0.533 3.086 11.630 231 H LYS 31 H LYS 31 -3.853 0.830 10.049 232 HA LYS 31 HA LYS 31 -4.316 3.560 9.520 233 HB2 LYS 31 2HB LYS 31 -6.431 3.264 10.539 234 HB3 LYS 31 1HB LYS 31 -6.047 1.705 9.809 235 HG2 LYS 31 2HG LYS 31 -5.772 2.451 12.744 236 HG3 LYS 31 1HG LYS 31 -6.924 1.321 12.041 237 HD2 LYS 31 2HD LYS 31 -4.915 -0.011 11.202 238 HD3 LYS 31 1HD LYS 31 -3.926 1.002 12.255 239 HE2 LYS 31 2HE LYS 31 -5.325 0.328 14.189 240 HE3 LYS 31 1HE LYS 31 -6.255 -0.730 13.127 241 HZ1 LYS 31 3HZ LYS 31 -4.485 -2.146 12.838 242 HZ2 LYS 31 1HZ LYS 31 -4.280 -1.688 14.457 243 HZ3 LYS 31 2HZ LYS 31 -3.326 -0.976 13.246 244 H PHE 32 H PHE 32 -2.328 2.272 11.820 245 HA PHE 32 HA PHE 32 -2.966 4.062 14.002 246 HB2 PHE 32 2HB PHE 32 -1.838 1.710 14.110 247 HB3 PHE 32 1HB PHE 32 -0.352 2.583 13.728 248 HD1 PHE 32 1HD PHE 32 -3.276 2.644 16.069 249 HD2 PHE 32 2HD PHE 32 0.860 3.636 15.453 250 HE1 PHE 32 1HE PHE 32 -3.088 3.340 18.443 251 HE2 PHE 32 2HE PHE 32 1.046 4.331 17.827 252 HZ PHE 32 HZ PHE 32 -0.928 4.184 19.321 253 H GLY 33 H GLY 33 -2.079 4.951 11.162 254 HA2 GLY 33 2HA GLY 33 -1.037 6.841 10.344 255 HA3 GLY 33 1HA GLY 33 -0.691 7.299 12.011 256 H LYS 34 H LYS 34 0.310 4.170 11.006 257 HA LYS 34 HA LYS 34 3.063 5.065 10.429 258 HB2 LYS 34 2HB LYS 34 2.264 3.039 12.533 259 HB3 LYS 34 1HB LYS 34 3.912 3.265 11.947 260 HG2 LYS 34 2HG LYS 34 3.812 5.647 12.645 261 HG3 LYS 34 1HG LYS 34 2.192 5.374 13.287 262 HD2 LYS 34 2HD LYS 34 3.195 3.538 14.730 263 HD3 LYS 34 1HD LYS 34 4.782 4.125 14.231 264 HE2 LYS 34 2HE LYS 34 2.657 5.817 15.579 265 HE3 LYS 34 1HE LYS 34 4.056 5.119 16.393 266 HZ1 LYS 34 3HZ LYS 34 3.901 7.384 14.595 267 HZ2 LYS 34 1HZ LYS 34 5.215 6.344 14.326 268 HZ3 LYS 34 2HZ LYS 34 5.000 7.063 15.851 269 H SER 35 H SER 35 4.383 2.882 9.988 270 HA SER 35 HA SER 35 2.821 1.403 7.949 271 HB2 SER 35 2HB SER 35 4.863 2.766 7.268 272 HB3 SER 35 1HB SER 35 5.827 1.589 8.155 273 HG SER 35 HG SER 35 4.294 0.115 6.747 274 H MET 36 H MET 36 3.675 -0.858 7.553 275 HA MET 36 HA MET 36 4.649 -2.212 9.978 276 HB2 MET 36 2HB MET 36 1.996 -2.694 8.624 277 HB3 MET 36 1HB MET 36 2.808 -3.985 9.511 278 HG2 MET 36 2HG MET 36 2.236 -1.260 10.705 279 HG3 MET 36 1HG MET 36 1.150 -2.642 10.875 280 HE1 MET 36 3HE MET 36 2.338 -1.121 13.385 281 HE2 MET 36 1HE MET 36 2.616 -2.546 14.395 282 HE3 MET 36 2HE MET 36 1.198 -2.464 13.352 283 H ASN 37 H ASN 37 6.396 -3.236 9.284 284 HA ASN 37 HA ASN 37 6.898 -3.918 6.580 285 HB2 ASN 37 2HB ASN 37 8.739 -3.523 8.098 286 HB3 ASN 37 1HB ASN 37 8.215 -4.842 9.142 287 HD21 ASN 37 1HD2 ASN 37 7.693 -5.675 5.884 288 HD22 ASN 37 2HD2 ASN 37 9.107 -6.592 5.645 289 H MET 38 H MET 38 5.147 -5.166 5.844 290 HA MET 38 HA MET 38 4.648 -7.759 7.104 291 HB2 MET 38 2HB MET 38 2.687 -6.570 6.429 292 HB3 MET 38 1HB MET 38 3.321 -6.320 4.801 293 HG2 MET 38 2HG MET 38 3.169 -8.663 4.305 294 HG3 MET 38 1HG MET 38 2.883 -9.061 5.992 295 HE1 MET 38 3HE MET 38 -0.730 -8.493 6.652 296 HE2 MET 38 1HE MET 38 0.795 -7.888 7.318 297 HE3 MET 38 2HE MET 38 0.640 -9.585 6.868 298 HA PRO 39 HA PRO 39 7.890 -9.567 4.447 299 HB2 PRO 39 2HB PRO 39 6.125 -11.955 4.935 300 HB3 PRO 39 1HB PRO 39 7.899 -11.839 4.979 301 HG2 PRO 39 2HG PRO 39 6.482 -11.873 7.227 302 HG3 PRO 39 1HG PRO 39 7.913 -10.839 7.064 303 HD2 PRO 39 2HD PRO 39 5.033 -10.058 7.089 304 HD3 PRO 39 1HD PRO 39 6.455 -9.123 7.578 305 H GLU 40 H GLU 40 8.008 -10.339 2.292 306 HA GLU 40 HA GLU 40 5.753 -9.645 0.639 307 HB2 GLU 40 2HB GLU 40 8.059 -9.135 -0.059 308 HB3 GLU 40 1HB GLU 40 8.427 -10.861 -0.087 309 HG2 GLU 40 2HG GLU 40 6.841 -11.250 -1.851 310 HG3 GLU 40 1HG GLU 40 6.214 -9.606 -1.727 311 H GLY 41 H GLY 41 4.191 -11.212 1.335 312 HA2 GLY 41 2HA GLY 41 3.602 -13.290 -0.249 313 HA3 GLY 41 1HA GLY 41 4.738 -14.038 0.868 314 H LYS 42 H LYS 42 3.568 -11.901 2.862 315 HA LYS 42 HA LYS 42 1.809 -13.706 4.181 316 HB2 LYS 42 2HB LYS 42 2.811 -10.942 4.619 317 HB3 LYS 42 1HB LYS 42 1.293 -11.332 5.420 318 HG2 LYS 42 2HG LYS 42 3.589 -13.276 5.633 319 HG3 LYS 42 1HG LYS 42 3.619 -11.816 6.617 320 HD2 LYS 42 2HD LYS 42 1.642 -12.385 7.763 321 HD3 LYS 42 1HD LYS 42 1.173 -13.576 6.548 322 HE2 LYS 42 2HE LYS 42 3.087 -14.995 7.204 323 HE3 LYS 42 1HE LYS 42 3.550 -13.806 8.423 324 HZ1 LYS 42 3HZ LYS 42 2.214 -14.925 9.781 325 HZ2 LYS 42 1HZ LYS 42 1.505 -15.806 8.516 326 HZ3 LYS 42 2HZ LYS 42 0.912 -14.264 8.914 327 H VAL 43 H VAL 43 0.364 -14.178 2.488 328 HA VAL 43 HA VAL 43 -1.240 -12.661 0.956 329 HB VAL 43 HB VAL 43 -2.313 -14.958 2.589 330 HG11 VAL 43 1HG1 VAL 43 -3.988 -13.743 1.269 331 HG12 VAL 43 2HG1 VAL 43 -3.680 -15.322 0.546 332 HG13 VAL 43 3HG1 VAL 43 -2.973 -13.873 -0.166 333 HG21 VAL 43 3HG2 VAL 43 -1.507 -16.306 0.579 334 HG22 VAL 43 1HG2 VAL 43 -0.237 -15.711 1.648 335 HG23 VAL 43 2HG2 VAL 43 -0.561 -14.890 0.120 336 H MET 44 H MET 44 -2.708 -11.099 1.176 337 HA MET 44 HA MET 44 -3.918 -10.648 3.855 338 HB2 MET 44 2HB MET 44 -3.690 -8.591 1.663 339 HB3 MET 44 1HB MET 44 -4.047 -8.333 3.354 340 HG2 MET 44 2HG MET 44 -1.793 -8.830 3.987 341 HG3 MET 44 1HG MET 44 -1.407 -9.448 2.382 342 HE1 MET 44 3HE MET 44 -2.628 -7.052 0.298 343 HE2 MET 44 1HE MET 44 -1.387 -8.308 0.366 344 HE3 MET 44 2HE MET 44 -0.933 -6.626 0.113 345 H GLU 45 H GLU 45 -6.128 -10.641 3.979 346 HA GLU 45 HA GLU 45 -7.626 -11.081 1.444 347 HB2 GLU 45 2HB GLU 45 -7.524 -13.028 3.018 348 HB3 GLU 45 1HB GLU 45 -8.371 -12.043 4.214 349 HG2 GLU 45 2HG GLU 45 -10.274 -11.781 2.719 350 HG3 GLU 45 1HG GLU 45 -9.419 -12.629 1.429 351 H THR 46 H THR 46 -8.983 -9.514 0.896 352 HA THR 46 HA THR 46 -9.635 -7.403 2.762 353 HB THR 46 HB THR 46 -10.730 -6.341 0.892 354 HG1 THR 46 1HG THR 46 -11.580 -7.499 -0.619 355 HG21 THR 46 3HG2 THR 46 -8.874 -6.202 -0.641 356 HG22 THR 46 1HG2 THR 46 -8.283 -7.787 -0.148 357 HG23 THR 46 2HG2 THR 46 -8.214 -6.431 0.977 358 H ARG 47 H ARG 47 -11.861 -6.703 3.165 359 HA ARG 47 HA ARG 47 -13.452 -8.693 4.293 360 HB2 ARG 47 2HB ARG 47 -15.243 -6.978 4.349 361 HB3 ARG 47 1HB ARG 47 -13.693 -6.372 4.939 362 HG2 ARG 47 2HG ARG 47 -13.243 -5.328 2.771 363 HG3 ARG 47 1HG ARG 47 -14.748 -5.981 2.122 364 HD2 ARG 47 2HD ARG 47 -15.287 -3.762 2.742 365 HD3 ARG 47 1HD ARG 47 -15.915 -4.754 4.053 366 HE ARG 47 HE ARG 47 -13.309 -4.032 4.754 367 HH11 ARG 47 1HH2 ARG 47 -16.359 -2.544 4.074 368 HH12 ARG 47 2HH2 ARG 47 -16.090 -1.194 5.127 369 HH21 ARG 47 1HH1 ARG 47 -12.951 -2.266 6.136 370 HH22 ARG 47 2HH1 ARG 47 -14.161 -1.037 6.294 371 H ASP 48 H ASP 48 -13.397 -7.405 1.038 372 HA ASP 48 HA ASP 48 -15.868 -8.640 0.225 373 HB2 ASP 48 2HB ASP 48 -14.990 -6.624 -0.899 374 HB3 ASP 48 1HB ASP 48 -13.589 -7.549 -1.446 375 H GLY 49 H GLY 49 -12.889 -9.860 0.999 376 HA2 GLY 49 2HA GLY 49 -12.160 -12.066 0.884 377 HA3 GLY 49 1HA GLY 49 -13.482 -12.419 -0.227 378 H THR 50 H THR 50 -11.267 -9.749 -0.737 379 HA THR 50 HA THR 50 -10.457 -10.911 -3.292 380 HB THR 50 HB THR 50 -9.508 -8.284 -2.152 381 HG1 THR 50 1HG THR 50 -11.652 -8.208 -3.837 382 HG21 THR 50 3HG2 THR 50 -8.440 -9.124 -4.211 383 HG22 THR 50 1HG2 THR 50 -9.403 -7.681 -4.536 384 HG23 THR 50 2HG2 THR 50 -10.026 -9.273 -4.969 385 H LYS 51 H LYS 51 -8.758 -12.226 -3.389 386 HA LYS 51 HA LYS 51 -6.813 -12.361 -1.270 387 HB2 LYS 51 2HB LYS 51 -7.454 -14.401 -2.419 388 HB3 LYS 51 1HB LYS 51 -6.946 -13.727 -3.970 389 HG2 LYS 51 2HG LYS 51 -4.644 -13.708 -3.310 390 HG3 LYS 51 1HG LYS 51 -5.057 -14.038 -1.626 391 HD2 LYS 51 2HD LYS 51 -5.913 -16.255 -2.251 392 HD3 LYS 51 1HD LYS 51 -5.543 -15.931 -3.946 393 HE2 LYS 51 2HE LYS 51 -3.513 -16.007 -1.694 394 HE3 LYS 51 1HE LYS 51 -3.764 -17.283 -2.885 395 HZ1 LYS 51 3HZ LYS 51 -2.807 -14.520 -3.369 396 HZ2 LYS 51 1HZ LYS 51 -3.299 -15.559 -4.615 397 HZ3 LYS 51 2HZ LYS 51 -1.970 -15.974 -3.642 398 H ILE 52 H ILE 52 -5.372 -10.777 -1.074 399 HA ILE 52 HA ILE 52 -3.842 -9.943 -3.474 400 HB ILE 52 HB ILE 52 -3.652 -7.689 -2.143 401 HG12 ILE 52 2HG1 ILE 52 -6.334 -8.659 -1.132 402 HG13 ILE 52 1HG1 ILE 52 -4.877 -8.728 -0.163 403 HG21 ILE 52 1HG2 ILE 52 -4.824 -8.007 -4.325 404 HG22 ILE 52 2HG2 ILE 52 -5.617 -6.824 -3.282 405 HG23 ILE 52 3HG2 ILE 52 -6.281 -8.452 -3.433 406 HD11 ILE 52 3HD1 ILE 52 -6.220 -6.277 -1.298 407 HD12 ILE 52 1HD1 ILE 52 -4.596 -6.237 -0.620 408 HD13 ILE 52 2HD1 ILE 52 -5.964 -6.668 0.400 409 H ILE 53 H ILE 53 -1.790 -10.455 -3.271 410 HA ILE 53 HA ILE 53 -0.675 -11.149 -0.661 411 HB ILE 53 HB ILE 53 0.589 -11.325 -3.401 412 HG12 ILE 53 2HG1 ILE 53 -0.778 -13.493 -1.774 413 HG13 ILE 53 1HG1 ILE 53 -1.534 -12.659 -3.135 414 HG21 ILE 53 1HG2 ILE 53 2.209 -11.354 -1.568 415 HG22 ILE 53 2HG2 ILE 53 2.057 -12.976 -2.242 416 HG23 ILE 53 3HG2 ILE 53 1.263 -12.575 -0.719 417 HD11 ILE 53 3HD1 ILE 53 -0.569 -14.739 -3.942 418 HD12 ILE 53 1HD1 ILE 53 0.989 -14.338 -3.220 419 HD13 ILE 53 2HD1 ILE 53 0.377 -13.393 -4.579 420 H MET 54 H MET 54 0.890 -10.069 0.398 421 HA MET 54 HA MET 54 1.287 -7.323 -0.090 422 HB2 MET 54 2HB MET 54 1.594 -8.493 2.118 423 HB3 MET 54 1HB MET 54 3.106 -9.155 1.494 424 HG2 MET 54 2HG MET 54 3.745 -7.190 2.669 425 HG3 MET 54 1HG MET 54 3.768 -6.727 0.979 426 HE1 MET 54 3HE MET 54 3.754 -4.178 1.917 427 HE2 MET 54 1HE MET 54 2.222 -3.450 1.415 428 HE3 MET 54 2HE MET 54 3.055 -4.583 0.352 429 H LYS 55 H LYS 55 1.803 -7.392 -2.376 430 HA LYS 55 HA LYS 55 4.231 -8.553 -3.338 431 HB2 LYS 55 2HB LYS 55 2.196 -7.948 -4.728 432 HB3 LYS 55 1HB LYS 55 2.697 -6.262 -4.580 433 HG2 LYS 55 2HG LYS 55 4.942 -6.939 -5.504 434 HG3 LYS 55 1HG LYS 55 4.265 -8.530 -5.838 435 HD2 LYS 55 2HD LYS 55 3.244 -5.893 -6.939 436 HD3 LYS 55 1HD LYS 55 4.142 -7.111 -7.843 437 HE2 LYS 55 2HE LYS 55 1.328 -7.251 -6.779 438 HE3 LYS 55 1HE LYS 55 1.912 -7.583 -8.407 439 HZ1 LYS 55 3HZ LYS 55 2.190 -9.249 -5.982 440 HZ2 LYS 55 1HZ LYS 55 3.194 -9.475 -7.330 441 HZ3 LYS 55 2HZ LYS 55 1.514 -9.667 -7.484 442 H GLY 56 H GLY 56 3.318 -5.130 -3.119 443 HA2 GLY 56 2HA GLY 56 6.000 -4.191 -3.273 444 HA3 GLY 56 1HA GLY 56 4.583 -3.230 -2.865 445 H ASN 57 H ASN 57 6.374 -5.932 -1.336 446 HA ASN 57 HA ASN 57 5.792 -5.229 1.306 447 HB2 ASN 57 2HB ASN 57 6.746 -7.393 0.784 448 HB3 ASN 57 1HB ASN 57 8.218 -6.639 0.167 449 HD21 ASN 57 1HD2 ASN 57 6.552 -5.461 3.074 450 HD22 ASN 57 2HD2 ASN 57 7.770 -5.931 4.168 451 H GLU 58 H GLU 58 7.617 -3.551 -0.960 452 HA GLU 58 HA GLU 58 9.547 -2.381 0.840 453 HB2 GLU 58 2HB GLU 58 8.680 -1.448 -1.906 454 HB3 GLU 58 1HB GLU 58 10.143 -0.970 -1.044 455 HG2 GLU 58 2HG GLU 58 10.952 -3.285 -1.088 456 HG3 GLU 58 1HG GLU 58 9.474 -3.802 -1.897 457 H ILE 59 H ILE 59 7.937 -1.746 2.478 458 HA ILE 59 HA ILE 59 6.021 0.305 1.903 459 HB ILE 59 HB ILE 59 5.942 0.486 4.432 460 HG12 ILE 59 2HG1 ILE 59 7.803 -1.904 4.274 461 HG13 ILE 59 1HG1 ILE 59 8.344 -0.279 4.704 462 HG21 ILE 59 1HG2 ILE 59 4.386 -0.962 3.284 463 HG22 ILE 59 2HG2 ILE 59 5.003 -1.845 4.680 464 HG23 ILE 59 3HG2 ILE 59 5.622 -2.202 3.067 465 HD11 ILE 59 3HD1 ILE 59 6.126 -1.741 6.162 466 HD12 ILE 59 1HD1 ILE 59 6.915 -0.240 6.647 467 HD13 ILE 59 2HD1 ILE 59 7.812 -1.758 6.683 468 H PHE 60 H PHE 60 9.380 0.308 2.287 469 HA PHE 60 HA PHE 60 9.885 2.702 3.645 470 HB2 PHE 60 2HB PHE 60 11.412 1.426 1.364 471 HB3 PHE 60 1HB PHE 60 12.027 2.725 2.386 472 HD1 PHE 60 1HD PHE 60 11.085 -0.832 2.249 473 HD2 PHE 60 2HD PHE 60 12.591 2.333 4.731 474 HE1 PHE 60 1HE PHE 60 11.787 -2.497 3.947 475 HE2 PHE 60 2HE PHE 60 13.293 0.667 6.430 476 HZ PHE 60 HZ PHE 60 12.890 -1.749 6.038 477 H ARG 61 H ARG 61 8.777 2.110 0.385 478 HA ARG 61 HA ARG 61 9.401 4.577 -0.801 479 HB2 ARG 61 2HB ARG 61 7.241 2.531 -1.281 480 HB3 ARG 61 1HB ARG 61 7.272 4.033 -2.205 481 HG2 ARG 61 2HG ARG 61 8.482 2.142 -3.329 482 HG3 ARG 61 1HG ARG 61 9.500 3.550 -3.031 483 HD2 ARG 61 2HD ARG 61 10.555 2.517 -1.162 484 HD3 ARG 61 1HD ARG 61 9.345 1.238 -1.092 485 HE ARG 61 HE ARG 61 10.414 0.878 -3.550 486 HH11 ARG 61 1HH2 ARG 61 11.782 1.357 -0.408 487 HH12 ARG 61 2HH2 ARG 61 13.202 0.418 -0.731 488 HH21 ARG 61 1HH1 ARG 61 12.272 -0.355 -3.981 489 HH22 ARG 61 2HH1 ARG 61 13.479 -0.552 -2.755 490 H LEU 62 H LEU 62 6.432 3.558 0.902 491 HA LEU 62 HA LEU 62 5.010 5.944 0.672 492 HB2 LEU 62 2HB LEU 62 4.411 3.572 1.726 493 HB3 LEU 62 1HB LEU 62 4.846 4.375 3.230 494 HG LEU 62 HG LEU 62 2.735 5.265 1.243 495 HD11 LEU 62 1HD1 LEU 62 1.247 4.937 3.242 496 HD12 LEU 62 2HD1 LEU 62 2.627 4.247 4.096 497 HD13 LEU 62 3HD1 LEU 62 1.987 3.445 2.662 498 HD21 LEU 62 3HD2 LEU 62 3.933 6.617 3.667 499 HD22 LEU 62 1HD2 LEU 62 2.297 6.993 3.126 500 HD23 LEU 62 2HD2 LEU 62 3.666 7.285 2.058 501 H ASP 63 H ASP 63 7.184 4.900 3.306 502 HA ASP 63 HA ASP 63 7.089 7.517 4.558 503 HB2 ASP 63 2HB ASP 63 8.672 6.533 6.168 504 HB3 ASP 63 1HB ASP 63 7.257 5.507 5.947 505 H GLU 64 H GLU 64 8.060 7.467 1.840 506 HA GLU 64 HA GLU 64 10.383 9.077 2.148 507 HB2 GLU 64 2HB GLU 64 11.361 6.777 2.473 508 HB3 GLU 64 1HB GLU 64 10.880 6.409 0.817 509 HG2 GLU 64 2HG GLU 64 12.208 8.360 0.029 510 HG3 GLU 64 1HG GLU 64 12.744 8.636 1.686 511 H ALA 65 H ALA 65 8.904 10.386 0.921 512 HA ALA 65 HA ALA 65 7.931 11.217 -1.002 513 HB1 ALA 65 1HB ALA 65 9.455 11.481 -2.799 514 HB2 ALA 65 2HB ALA 65 10.318 9.999 -2.390 515 HB3 ALA 65 3HB ALA 65 10.458 11.419 -1.351 516 H LEU 66 H LEU 66 8.065 10.346 -3.659 517 HA LEU 66 HA LEU 66 7.340 7.585 -3.893 518 HB2 LEU 66 2HB LEU 66 4.924 8.292 -4.695 519 HB3 LEU 66 1HB LEU 66 5.242 8.016 -2.984 520 HG LEU 66 HG LEU 66 5.545 10.404 -2.602 521 HD11 LEU 66 1HD1 LEU 66 6.552 11.188 -4.605 522 HD12 LEU 66 2HD1 LEU 66 4.962 11.950 -4.580 523 HD13 LEU 66 3HD1 LEU 66 5.251 10.544 -5.607 524 HD21 LEU 66 3HD2 LEU 66 3.269 9.694 -2.406 525 HD22 LEU 66 1HD2 LEU 66 3.067 9.624 -4.156 526 HD23 LEU 66 2HD2 LEU 66 3.226 11.184 -3.349 527 H ARG 67 H ARG 67 6.164 7.296 -6.145 528 HA ARG 67 HA ARG 67 7.887 8.614 -8.088 529 HB2 ARG 67 2HB ARG 67 7.440 6.161 -8.169 530 HB3 ARG 67 1HB ARG 67 5.748 6.515 -8.522 531 HG2 ARG 67 2HG ARG 67 6.318 7.600 -10.588 532 HG3 ARG 67 1HG ARG 67 8.039 7.572 -10.197 533 HD2 ARG 67 2HD ARG 67 7.948 5.073 -10.202 534 HD3 ARG 67 1HD ARG 67 6.272 5.169 -10.736 535 HE ARG 67 HE ARG 67 7.752 6.695 -12.531 536 HH11 ARG 67 1HH2 ARG 67 7.612 3.428 -11.395 537 HH12 ARG 67 2HH2 ARG 67 8.162 2.740 -12.886 538 HH21 ARG 67 1HH1 ARG 67 8.472 5.799 -14.490 539 HH22 ARG 67 2HH1 ARG 67 8.648 4.082 -14.639 540 H LYS 68 H LYS 68 7.314 10.470 -9.006 541 HA LYS 68 HA LYS 68 4.595 11.434 -8.919 542 HB2 LYS 68 2HB LYS 68 7.035 12.567 -10.315 543 HB3 LYS 68 1HB LYS 68 5.508 13.411 -10.066 544 HG2 LYS 68 2HG LYS 68 6.940 12.252 -7.682 545 HG3 LYS 68 1HG LYS 68 7.523 13.763 -8.372 546 HD2 LYS 68 2HD LYS 68 4.581 13.467 -7.787 547 HD3 LYS 68 1HD LYS 68 5.691 13.799 -6.461 548 HE2 LYS 68 2HE LYS 68 5.401 15.468 -8.979 549 HE3 LYS 68 1HE LYS 68 4.796 15.897 -7.381 550 HZ1 LYS 68 3HZ LYS 68 7.614 15.607 -8.241 551 HZ2 LYS 68 1HZ LYS 68 7.162 15.658 -6.607 552 HZ3 LYS 68 2HZ LYS 68 6.844 16.988 -7.616 553 H GLY 69 H GLY 69 3.495 9.823 -10.149 554 HA2 GLY 69 2HA GLY 69 4.127 9.038 -12.765 555 HA3 GLY 69 1HA GLY 69 2.512 9.010 -12.063 556 H HIS 70 H HIS 70 1.037 10.302 -12.959 557 HA HIS 70 HA HIS 70 0.086 11.901 -14.308 558 HB2 HIS 70 2HB HIS 70 0.986 13.387 -12.552 559 HB3 HIS 70 1HB HIS 70 2.504 13.508 -13.445 560 HD2 HIS 70 2HD HIS 70 2.455 15.876 -14.847 561 HE1 HIS 70 1HE HIS 70 -1.633 15.889 -15.899 562 HE2 HIS 70 2HE HIS 70 0.563 17.143 -16.126 563 H SER 71 H SER 71 0.881 10.256 -16.002 564 HA SER 71 HA SER 71 1.864 11.704 -18.239 565 HB2 SER 71 2HB SER 71 4.045 11.481 -17.277 566 HB3 SER 71 1HB SER 71 3.767 9.787 -16.886 567 HG SER 71 HG SER 71 3.536 10.677 -19.542 568 H GLU 72 H GLU 72 2.652 9.851 -19.960 569 HA GLU 72 HA GLU 72 0.320 8.415 -20.592 570 HB2 GLU 72 2HB GLU 72 3.155 7.936 -21.543 571 HB3 GLU 72 1HB GLU 72 1.692 7.319 -22.314 572 HG2 GLU 72 2HG GLU 72 0.906 9.669 -22.610 573 HG3 GLU 72 1HG GLU 72 2.439 10.234 -21.950 574 H GLY 73 H GLY 73 3.265 7.471 -18.893 575 HA2 GLY 73 2HA GLY 73 2.012 5.386 -17.460 576 HA3 GLY 73 1HA GLY 73 2.889 4.696 -18.823 577 H GLY 74 H GLY 74 5.112 4.634 -18.795 578 HA2 GLY 74 2HA GLY 74 6.797 6.125 -17.103 579 HA3 GLY 74 1HA GLY 74 6.429 4.596 -16.311 580 H1 HOH 201 H2 HOH 77 -3.219 12.371 -15.975 581 H2 HOH 201 H1 HOH 77 -2.279 11.895 -14.888
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