NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591703 | 2mqk | 25037 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -1 H GLY -1 -0.146 -15.683 -3.661 2 HA2 GLY -1 HA1 GLY -1 2.269 -16.616 -5.110 3 HA3 GLY -1 HA2 GLY -1 1.028 -15.571 -5.818 4 HA PRO 0 HA PRO 0 3.765 -13.065 -2.732 5 HB2 PRO 0 HB1 PRO 0 6.385 -13.483 -2.894 6 HB3 PRO 0 HB2 PRO 0 5.323 -14.571 -1.961 7 HG2 PRO 0 HG1 PRO 0 6.360 -14.993 -4.764 8 HG3 PRO 0 HG2 PRO 0 6.367 -16.149 -3.401 9 HD2 PRO 0 HD1 PRO 0 4.398 -16.109 -5.341 10 HD3 PRO 0 HD2 PRO 0 4.084 -16.620 -3.666 11 H MET 1 H MET 1 2.671 -11.897 -4.342 12 HA MET 1 HA MET 1 3.459 -11.074 -6.878 13 HB2 MET 1 HB1 MET 1 1.824 -9.395 -6.661 14 HB3 MET 1 HB2 MET 1 1.268 -10.692 -5.619 15 HG2 MET 1 HG1 MET 1 2.652 -9.390 -3.777 16 HG3 MET 1 HG2 MET 1 2.476 -8.029 -4.863 17 HE1 MET 1 HE1 MET 1 0.129 -6.852 -5.407 18 HE2 MET 1 HE2 MET 1 -0.536 -8.394 -6.002 19 HE3 MET 1 HE3 MET 1 -1.427 -7.439 -4.800 20 H ASN 2 H ASN 2 4.513 -9.260 -7.734 21 HA ASN 2 HA ASN 2 6.955 -8.570 -6.341 22 HB2 ASN 2 HB1 ASN 2 5.763 -7.553 -8.957 23 HB3 ASN 2 HB2 ASN 2 7.399 -7.224 -8.376 24 HD21 ASN 2 HD22 ASN 2 5.545 -9.460 -10.273 25 HD22 ASN 2 HD21 ASN 2 6.761 -10.708 -10.292 26 H ILE 3 H ILE 3 7.612 -6.263 -5.925 27 HA ILE 3 HA ILE 3 5.709 -4.913 -4.366 28 HB ILE 3 HB ILE 3 8.267 -3.821 -5.558 29 HG12 ILE 3 HG11 ILE 3 7.614 -5.337 -2.998 30 HG13 ILE 3 HG12 ILE 3 8.745 -5.798 -4.272 31 HG21 ILE 3 HG21 ILE 3 8.236 -2.112 -3.865 32 HG22 ILE 3 HG22 ILE 3 6.681 -2.045 -4.678 33 HG23 ILE 3 HG23 ILE 3 6.813 -2.845 -3.097 34 HD11 ILE 3 HD11 ILE 3 10.237 -3.927 -3.614 35 HD12 ILE 3 HD12 ILE 3 9.123 -3.549 -2.258 36 HD13 ILE 3 HD13 ILE 3 9.956 -5.114 -2.324 37 H SER 4 H SER 4 6.457 -4.568 -7.780 38 HA SER 4 HA SER 4 5.062 -2.213 -8.374 39 HB2 SER 4 HB1 SER 4 5.431 -4.761 -10.030 40 HB3 SER 4 HB2 SER 4 5.007 -3.162 -10.669 41 HG SER 4 HG SER 4 7.092 -2.963 -10.800 42 H ASP 5 H ASP 5 3.803 -5.618 -7.967 43 HA ASP 5 HA ASP 5 1.174 -5.052 -8.963 44 HB2 ASP 5 HB1 ASP 5 2.167 -7.169 -6.986 45 HB3 ASP 5 HB2 ASP 5 0.574 -7.120 -7.754 46 H ILE 6 H ILE 6 2.711 -5.021 -5.743 47 HA ILE 6 HA ILE 6 0.387 -4.643 -4.174 48 HB ILE 6 HB ILE 6 3.191 -3.580 -3.624 49 HG12 ILE 6 HG11 ILE 6 1.916 -6.195 -2.662 50 HG13 ILE 6 HG12 ILE 6 3.027 -6.080 -4.037 51 HG21 ILE 6 HG21 ILE 6 0.968 -4.193 -1.618 52 HG22 ILE 6 HG22 ILE 6 2.571 -3.512 -1.271 53 HG23 ILE 6 HG23 ILE 6 1.393 -2.557 -2.160 54 HD11 ILE 6 HD11 ILE 6 3.736 -5.415 -1.169 55 HD12 ILE 6 HD12 ILE 6 4.284 -6.800 -2.142 56 HD13 ILE 6 HD13 ILE 6 4.778 -5.149 -2.569 57 H ARG 7 H ARG 7 2.664 -2.081 -5.368 58 HA ARG 7 HA ARG 7 0.845 0.017 -4.598 59 HB2 ARG 7 HB1 ARG 7 2.129 1.513 -6.065 60 HB3 ARG 7 HB2 ARG 7 3.124 0.612 -4.917 61 HG2 ARG 7 HG1 ARG 7 3.917 -0.864 -6.690 62 HG3 ARG 7 HG2 ARG 7 2.826 -0.099 -7.868 63 HD2 ARG 7 HD1 ARG 7 3.970 2.030 -7.619 64 HD3 ARG 7 HD2 ARG 7 5.011 1.408 -6.359 65 HE ARG 7 HE ARG 7 5.180 0.998 -9.242 66 HH11 ARG 7 HH11 ARG 7 6.484 -0.058 -6.056 67 HH12 ARG 7 HH12 ARG 7 7.838 -0.873 -6.764 68 HH21 ARG 7 HH21 ARG 7 7.043 -0.102 -10.114 69 HH22 ARG 7 HH22 ARG 7 8.201 -0.790 -9.043 70 H ALA 8 H ALA 8 0.975 -1.937 -7.579 71 HA ALA 8 HA ALA 8 -0.752 -0.275 -9.090 72 HB1 ALA 8 HB1 ALA 8 -1.174 -2.261 -10.468 73 HB2 ALA 8 HB2 ALA 8 0.554 -2.180 -10.081 74 HB3 ALA 8 HB3 ALA 8 -0.505 -3.319 -9.226 75 H GLY 9 H GLY 9 -1.510 -2.442 -6.411 76 HA2 GLY 9 HA1 GLY 9 -4.345 -2.610 -7.133 77 HA3 GLY 9 HA2 GLY 9 -3.563 -3.283 -5.700 78 H LEU 10 H LEU 10 -2.301 -1.029 -4.649 79 HA LEU 10 HA LEU 10 -4.390 0.199 -3.212 80 HB2 LEU 10 HB1 LEU 10 -1.728 1.548 -3.689 81 HB3 LEU 10 HB2 LEU 10 -2.792 1.761 -2.312 82 HG LEU 10 HG LEU 10 -1.276 -0.797 -2.893 83 HD11 LEU 10 HD11 LEU 10 0.081 -0.219 -0.970 84 HD12 LEU 10 HD12 LEU 10 -0.740 1.355 -0.824 85 HD13 LEU 10 HD13 LEU 10 0.249 0.983 -2.260 86 HD21 LEU 10 HD21 LEU 10 -3.328 -1.247 -1.692 87 HD22 LEU 10 HD22 LEU 10 -2.974 0.041 -0.512 88 HD23 LEU 10 HD23 LEU 10 -1.960 -1.424 -0.592 89 H ARG 11 H ARG 11 -2.806 1.363 -6.165 90 HA ARG 11 HA ARG 11 -3.990 3.970 -6.146 91 HB2 ARG 11 HB1 ARG 11 -3.496 4.078 -8.540 92 HB3 ARG 11 HB2 ARG 11 -2.109 3.462 -7.624 93 HG2 ARG 11 HG1 ARG 11 -2.595 1.213 -8.280 94 HG3 ARG 11 HG2 ARG 11 -4.060 1.700 -9.143 95 HD2 ARG 11 HD1 ARG 11 -2.720 2.950 -10.771 96 HD3 ARG 11 HD2 ARG 11 -1.236 2.413 -9.947 97 HE ARG 11 HE ARG 11 -2.800 0.143 -10.342 98 HH11 ARG 11 HH11 ARG 11 -1.347 2.520 -12.616 99 HH12 ARG 11 HH12 ARG 11 -1.273 1.381 -13.912 100 HH21 ARG 11 HH21 ARG 11 -2.486 -1.362 -12.039 101 HH22 ARG 11 HH22 ARG 11 -1.774 -0.871 -13.526 102 H THR 12 H THR 12 -5.221 0.844 -7.508 103 HA THR 12 HA THR 12 -7.504 1.842 -8.738 104 HB THR 12 HB THR 12 -7.164 -0.810 -7.285 105 HG1 THR 12 HG1 THR 12 -6.105 -1.553 -8.950 106 HG21 THR 12 HG21 THR 12 -8.625 -1.790 -8.880 107 HG22 THR 12 HG22 THR 12 -8.676 -0.336 -9.876 108 HG23 THR 12 HG23 THR 12 -9.459 -0.365 -8.275 109 H LEU 13 H LEU 13 -6.995 0.768 -5.377 110 HA LEU 13 HA LEU 13 -9.723 1.016 -4.611 111 HB2 LEU 13 HB1 LEU 13 -7.223 1.102 -2.893 112 HB3 LEU 13 HB2 LEU 13 -8.870 0.887 -2.298 113 HG LEU 13 HG LEU 13 -7.414 -1.006 -4.131 114 HD11 LEU 13 HD11 LEU 13 -7.328 -2.535 -2.245 115 HD12 LEU 13 HD12 LEU 13 -8.140 -1.335 -1.228 116 HD13 LEU 13 HD13 LEU 13 -6.506 -1.011 -1.877 117 HD21 LEU 13 HD21 LEU 13 -10.167 -1.246 -2.825 118 HD22 LEU 13 HD22 LEU 13 -9.317 -2.586 -3.605 119 HD23 LEU 13 HD23 LEU 13 -9.819 -1.196 -4.571 120 H VAL 14 H VAL 14 -6.991 3.325 -4.173 121 HA VAL 14 HA VAL 14 -8.797 5.270 -2.991 122 HB VAL 14 HB VAL 14 -7.056 6.940 -3.238 123 HG11 VAL 14 HG11 VAL 14 -6.056 4.290 -2.140 124 HG12 VAL 14 HG12 VAL 14 -5.429 5.907 -1.724 125 HG13 VAL 14 HG13 VAL 14 -7.086 5.474 -1.307 126 HG21 VAL 14 HG21 VAL 14 -4.816 6.411 -4.079 127 HG22 VAL 14 HG22 VAL 14 -5.392 4.824 -4.643 128 HG23 VAL 14 HG23 VAL 14 -6.014 6.312 -5.365 129 H GLU 15 H GLU 15 -7.849 4.652 -6.341 130 HA GLU 15 HA GLU 15 -8.789 6.986 -7.598 131 HB2 GLU 15 HB1 GLU 15 -8.588 4.077 -8.404 132 HB3 GLU 15 HB2 GLU 15 -9.330 5.212 -9.484 133 HG2 GLU 15 HG1 GLU 15 -6.615 5.935 -8.401 134 HG3 GLU 15 HG2 GLU 15 -6.722 4.616 -9.570 135 H ASN 16 H ASN 16 -10.550 4.126 -6.418 136 HA ASN 16 HA ASN 16 -13.110 5.323 -7.377 137 HB2 ASN 16 HB1 ASN 16 -12.464 2.429 -6.752 138 HB3 ASN 16 HB2 ASN 16 -14.019 3.057 -7.304 139 HD21 ASN 16 HD22 ASN 16 -10.604 2.634 -8.249 140 HD22 ASN 16 HD21 ASN 16 -10.860 2.912 -9.967 141 H GLU 17 H GLU 17 -11.580 5.927 -4.851 142 HA GLU 17 HA GLU 17 -11.982 6.451 -2.693 143 HB2 GLU 17 HB1 GLU 17 -14.884 6.361 -3.567 144 HB3 GLU 17 HB2 GLU 17 -14.256 7.210 -2.156 145 HG2 GLU 17 HG1 GLU 17 -12.943 8.710 -3.536 146 HG3 GLU 17 HG2 GLU 17 -13.376 7.845 -5.007 147 H GLU 18 H GLU 18 -12.077 3.470 -3.420 148 HA GLU 18 HA GLU 18 -13.733 2.046 -1.568 149 HB2 GLU 18 HB1 GLU 18 -11.019 1.241 -2.613 150 HB3 GLU 18 HB2 GLU 18 -12.290 0.160 -2.085 151 HG2 GLU 18 HG1 GLU 18 -12.628 1.972 -4.521 152 HG3 GLU 18 HG2 GLU 18 -11.764 0.460 -4.593 153 H THR 19 H THR 19 -10.803 3.865 -1.212 154 HA THR 19 HA THR 19 -10.628 3.385 1.621 155 HB THR 19 HB THR 19 -9.424 1.401 0.471 156 HG1 THR 19 HG1 THR 19 -7.452 2.715 1.855 157 HG21 THR 19 HG21 THR 19 -7.282 1.694 -0.518 158 HG22 THR 19 HG22 THR 19 -7.249 3.426 -0.111 159 HG23 THR 19 HG23 THR 19 -8.361 2.834 -1.339 160 H THR 20 H THR 20 -8.557 4.676 2.402 161 HA THR 20 HA THR 20 -7.978 7.024 0.700 162 HB THR 20 HB THR 20 -8.112 8.328 2.870 163 HG1 THR 20 HG1 THR 20 -9.954 6.549 3.912 164 HG21 THR 20 HG21 THR 20 -9.746 8.691 1.219 165 HG22 THR 20 HG22 THR 20 -10.529 8.660 2.814 166 HG23 THR 20 HG23 THR 20 -10.701 7.265 1.720 167 H PHE 21 H PHE 21 -6.056 8.146 1.476 168 HA PHE 21 HA PHE 21 -3.856 6.444 2.037 169 HB2 PHE 21 HB1 PHE 21 -4.441 9.417 2.122 170 HB3 PHE 21 HB2 PHE 21 -2.868 8.825 2.690 171 HD1 PHE 21 HD2 PHE 21 -1.750 6.995 1.022 172 HD2 PHE 21 HD1 PHE 21 -4.433 10.166 -0.138 173 HE1 PHE 21 HE2 PHE 21 -0.921 6.857 -1.309 174 HE2 PHE 21 HE1 PHE 21 -3.583 10.035 -2.450 175 HZ PHE 21 HZ PHE 21 -1.847 8.341 -3.054 176 H LYS 22 H LYS 22 -5.855 8.541 4.101 177 HA LYS 22 HA LYS 22 -4.458 8.161 6.532 178 HB2 LYS 22 HB1 LYS 22 -6.410 8.988 7.653 179 HB3 LYS 22 HB2 LYS 22 -5.859 9.996 6.304 180 HG2 LYS 22 HG1 LYS 22 -7.570 9.055 4.862 181 HG3 LYS 22 HG2 LYS 22 -8.189 8.081 6.201 182 HD2 LYS 22 HD1 LYS 22 -8.148 11.112 6.053 183 HD3 LYS 22 HD2 LYS 22 -9.571 10.099 5.843 184 HE2 LYS 22 HE1 LYS 22 -7.872 10.231 8.378 185 HE3 LYS 22 HE2 LYS 22 -9.385 11.123 8.116 186 HZ1 LYS 22 HZ1 LYS 22 -10.259 8.710 7.610 187 HZ2 LYS 22 HZ2 LYS 22 -10.196 9.301 9.143 188 HZ3 LYS 22 HZ3 LYS 22 -9.024 8.274 8.584 189 H GLN 23 H GLN 23 -7.291 6.453 5.268 190 HA GLN 23 HA GLN 23 -7.483 4.730 7.535 191 HB2 GLN 23 HB1 GLN 23 -9.332 5.209 5.943 192 HB3 GLN 23 HB2 GLN 23 -8.531 4.175 4.743 193 HG2 GLN 23 HG1 GLN 23 -10.293 2.969 5.852 194 HG3 GLN 23 HG2 GLN 23 -8.767 2.248 6.334 195 HE21 GLN 23 HE22 GLN 23 -8.161 2.240 8.495 196 HE22 GLN 23 HE21 GLN 23 -9.324 2.621 9.752 197 H ILE 24 H ILE 24 -5.817 4.263 4.331 198 HA ILE 24 HA ILE 24 -4.940 1.620 4.888 199 HB ILE 24 HB ILE 24 -3.518 3.785 3.284 200 HG12 ILE 24 HG11 ILE 24 -5.017 1.460 2.068 201 HG13 ILE 24 HG12 ILE 24 -5.845 2.945 2.465 202 HG21 ILE 24 HG21 ILE 24 -2.256 1.881 2.211 203 HG22 ILE 24 HG22 ILE 24 -1.946 1.923 3.937 204 HG23 ILE 24 HG23 ILE 24 -3.093 0.744 3.284 205 HD11 ILE 24 HD11 ILE 24 -4.364 4.250 0.991 206 HD12 ILE 24 HD12 ILE 24 -3.418 2.798 0.609 207 HD13 ILE 24 HD13 ILE 24 -5.090 2.905 0.090 208 H ALA 25 H ALA 25 -3.432 4.820 5.636 209 HA ALA 25 HA ALA 25 -1.098 3.832 6.890 210 HB1 ALA 25 HB1 ALA 25 -0.979 6.091 7.877 211 HB2 ALA 25 HB2 ALA 25 -1.489 6.201 6.194 212 HB3 ALA 25 HB3 ALA 25 -2.676 6.385 7.477 213 H LEU 26 H LEU 26 -4.324 4.537 8.295 214 HA LEU 26 HA LEU 26 -3.513 3.955 10.962 215 HB2 LEU 26 HB1 LEU 26 -5.518 5.277 10.353 216 HB3 LEU 26 HB2 LEU 26 -6.285 3.822 9.709 217 HG LEU 26 HG LEU 26 -6.326 2.812 11.959 218 HD11 LEU 26 HD11 LEU 26 -5.018 5.418 12.879 219 HD12 LEU 26 HD12 LEU 26 -4.341 3.783 13.015 220 HD13 LEU 26 HD13 LEU 26 -5.760 4.216 13.959 221 HD21 LEU 26 HD21 LEU 26 -7.946 4.393 12.969 222 HD22 LEU 26 HD22 LEU 26 -8.208 4.217 11.233 223 HD23 LEU 26 HD23 LEU 26 -7.404 5.671 11.875 224 H GLU 27 H GLU 27 -5.179 1.879 8.497 225 HA GLU 27 HA GLU 27 -5.302 -0.414 10.208 226 HB2 GLU 27 HB1 GLU 27 -5.383 -0.176 7.188 227 HB3 GLU 27 HB2 GLU 27 -5.681 -1.661 8.120 228 HG2 GLU 27 HG1 GLU 27 -7.445 -0.061 9.381 229 HG3 GLU 27 HG2 GLU 27 -7.418 0.752 7.814 230 H SER 28 H SER 28 -2.771 0.766 8.023 231 HA SER 28 HA SER 28 -1.275 -1.753 8.252 232 HB2 SER 28 HB1 SER 28 0.330 -0.670 6.740 233 HB3 SER 28 HB2 SER 28 -1.315 -0.528 6.098 234 HG SER 28 HG SER 28 -1.407 1.530 6.675 235 H GLY 29 H GLY 29 -1.487 1.244 9.887 236 HA2 GLY 29 HA1 GLY 29 -0.451 1.956 11.829 237 HA3 GLY 29 HA2 GLY 29 0.531 0.482 11.851 238 H LEU 30 H LEU 30 0.552 2.216 8.857 239 HA LEU 30 HA LEU 30 3.357 3.147 9.294 240 HB2 LEU 30 HB1 LEU 30 1.818 2.919 6.669 241 HB3 LEU 30 HB2 LEU 30 3.520 3.263 6.867 242 HG LEU 30 HG LEU 30 2.220 0.604 7.612 243 HD11 LEU 30 HD11 LEU 30 3.324 -0.250 5.566 244 HD12 LEU 30 HD12 LEU 30 3.916 1.385 5.222 245 HD13 LEU 30 HD13 LEU 30 2.159 1.022 5.184 246 HD21 LEU 30 HD21 LEU 30 4.254 0.991 8.918 247 HD22 LEU 30 HD22 LEU 30 5.140 1.475 7.448 248 HD23 LEU 30 HD23 LEU 30 4.602 -0.196 7.659 249 H SER 31 H SER 31 3.702 5.294 7.804 250 HA SER 31 HA SER 31 1.730 7.234 8.822 251 HB2 SER 31 HB1 SER 31 4.394 7.667 7.434 252 HB3 SER 31 HB2 SER 31 3.442 8.848 8.349 253 HG SER 31 HG SER 31 3.802 7.675 10.225 254 H THR 32 H THR 32 0.688 8.762 7.362 255 HA THR 32 HA THR 32 -0.311 7.717 4.975 256 HB THR 32 HB THR 32 -0.966 10.186 4.637 257 HG1 THR 32 HG1 THR 32 -0.604 11.515 6.393 258 HG21 THR 32 HG21 THR 32 -2.652 10.147 6.447 259 HG22 THR 32 HG22 THR 32 -1.725 8.911 7.318 260 HG23 THR 32 HG23 THR 32 -2.457 8.539 5.745 261 H GLY 33 H GLY 33 2.349 10.083 5.462 262 HA2 GLY 33 HA1 GLY 33 2.865 10.688 2.787 263 HA3 GLY 33 HA2 GLY 33 4.048 10.754 4.091 264 H THR 34 H THR 34 4.007 7.880 4.720 265 HA THR 34 HA THR 34 5.996 6.953 2.970 266 HB THR 34 HB THR 34 4.158 5.290 4.743 267 HG1 THR 34 HG1 THR 34 6.243 7.070 5.339 268 HG21 THR 34 HG21 THR 34 7.095 4.872 4.098 269 HG22 THR 34 HG22 THR 34 5.780 4.080 3.223 270 HG23 THR 34 HG23 THR 34 5.969 3.765 4.949 271 H ILE 35 H ILE 35 2.524 5.977 3.257 272 HA ILE 35 HA ILE 35 2.482 4.080 1.222 273 HB ILE 35 HB ILE 35 0.315 5.981 2.177 274 HG12 ILE 35 HG11 ILE 35 0.628 3.049 2.915 275 HG13 ILE 35 HG12 ILE 35 1.557 4.260 3.789 276 HG21 ILE 35 HG21 ILE 35 -1.304 4.267 1.313 277 HG22 ILE 35 HG22 ILE 35 -0.370 4.989 0.011 278 HG23 ILE 35 HG23 ILE 35 0.046 3.369 0.592 279 HD11 ILE 35 HD11 ILE 35 -0.519 3.655 4.902 280 HD12 ILE 35 HD12 ILE 35 -0.343 5.393 4.555 281 HD13 ILE 35 HD13 ILE 35 -1.443 4.408 3.578 282 H SER 36 H SER 36 1.751 7.589 0.902 283 HA SER 36 HA SER 36 1.376 7.474 -1.907 284 HB2 SER 36 HB1 SER 36 2.161 10.003 -1.665 285 HB3 SER 36 HB2 SER 36 0.638 9.441 -0.992 286 HG SER 36 HG SER 36 3.001 9.572 0.580 287 H SER 37 H SER 37 4.419 8.055 -0.040 288 HA SER 37 HA SER 37 5.945 8.502 -2.414 289 HB2 SER 37 HB1 SER 37 6.429 9.079 0.081 290 HB3 SER 37 HB2 SER 37 7.199 7.492 0.136 291 HG SER 37 HG SER 37 7.697 9.718 -1.572 292 H PHE 38 H PHE 38 5.172 5.543 -0.606 293 HA PHE 38 HA PHE 38 6.997 3.763 -1.895 294 HB2 PHE 38 HB1 PHE 38 5.931 3.176 0.192 295 HB3 PHE 38 HB2 PHE 38 4.323 3.397 -0.474 296 HD1 PHE 38 HD1 PHE 38 7.304 1.175 -0.452 297 HD2 PHE 38 HD2 PHE 38 3.229 1.675 -1.796 298 HE1 PHE 38 HE1 PHE 38 7.202 -1.217 -1.031 299 HE2 PHE 38 HE2 PHE 38 3.144 -0.725 -2.409 300 HZ PHE 38 HZ PHE 38 5.101 -2.187 -1.989 301 H ILE 39 H ILE 39 3.551 4.642 -2.513 302 HA ILE 39 HA ILE 39 3.239 3.047 -4.855 303 HB ILE 39 HB ILE 39 1.839 5.556 -3.853 304 HG12 ILE 39 HG11 ILE 39 0.857 2.672 -3.923 305 HG13 ILE 39 HG12 ILE 39 1.677 3.354 -2.529 306 HG21 ILE 39 HG21 ILE 39 0.022 5.056 -5.485 307 HG22 ILE 39 HG22 ILE 39 1.526 5.417 -6.312 308 HG23 ILE 39 HG23 ILE 39 0.991 3.730 -6.162 309 HD11 ILE 39 HD11 ILE 39 -0.086 5.150 -2.439 310 HD12 ILE 39 HD12 ILE 39 -0.982 4.248 -3.684 311 HD13 ILE 39 HD13 ILE 39 -0.666 3.505 -2.108 312 H ASN 40 H ASN 40 4.194 6.472 -4.398 313 HA ASN 40 HA ASN 40 4.574 7.098 -7.142 314 HB2 ASN 40 HB1 ASN 40 5.904 8.283 -4.673 315 HB3 ASN 40 HB2 ASN 40 5.982 8.971 -6.294 316 HD21 ASN 40 HD22 ASN 40 5.044 10.651 -4.332 317 HD22 ASN 40 HD21 ASN 40 3.316 10.803 -4.478 318 H ASP 41 H ASP 41 6.387 4.882 -5.262 319 HA ASP 41 HA ASP 41 8.420 3.910 -5.438 320 HB2 ASP 41 HB1 ASP 41 7.472 3.170 -7.528 321 HB3 ASP 41 HB2 ASP 41 7.941 4.650 -8.344 322 H LYS 42 H LYS 42 8.407 6.317 -4.324 323 HA LYS 42 HA LYS 42 10.994 7.606 -5.072 324 HB2 LYS 42 HB1 LYS 42 8.287 8.854 -4.447 325 HB3 LYS 42 HB2 LYS 42 9.766 9.771 -4.225 326 HG2 LYS 42 HG1 LYS 42 9.300 8.390 -6.880 327 HG3 LYS 42 HG2 LYS 42 8.427 9.868 -6.527 328 HD2 LYS 42 HD1 LYS 42 11.421 9.798 -6.048 329 HD3 LYS 42 HD2 LYS 42 10.849 9.885 -7.707 330 HE2 LYS 42 HE1 LYS 42 9.843 11.764 -5.532 331 HE3 LYS 42 HE2 LYS 42 11.268 12.124 -6.508 332 HZ1 LYS 42 HZ1 LYS 42 9.989 12.376 -8.404 333 HZ2 LYS 42 HZ2 LYS 42 8.976 12.990 -7.277 334 HZ3 LYS 42 HZ3 LYS 42 8.764 11.470 -7.885 335 H TYR 43 H TYR 43 9.238 5.940 -2.700 336 HA TYR 43 HA TYR 43 10.074 7.402 -0.384 337 HB2 TYR 43 HB1 TYR 43 8.234 5.693 -0.373 338 HB3 TYR 43 HB2 TYR 43 9.423 4.448 -0.680 339 HD1 TYR 43 HD1 TYR 43 9.079 7.407 1.662 340 HD2 TYR 43 HD2 TYR 43 9.957 3.193 1.260 341 HE1 TYR 43 HE1 TYR 43 9.533 7.275 4.058 342 HE2 TYR 43 HE2 TYR 43 10.379 3.044 3.688 343 HH TYR 43 HH TYR 43 10.186 5.996 5.800 344 H ASN 44 H ASN 44 12.006 7.297 0.711 345 HA ASN 44 HA ASN 44 14.112 5.490 -0.373 346 HB2 ASN 44 HB1 ASN 44 15.741 7.124 0.069 347 HB3 ASN 44 HB2 ASN 44 14.477 7.883 -0.875 348 HD21 ASN 44 HD22 ASN 44 16.320 8.052 2.019 349 HD22 ASN 44 HD21 ASN 44 15.497 9.484 2.672 350 H GLY 45 H GLY 45 14.437 3.879 0.975 351 HA2 GLY 45 HA1 GLY 45 15.315 3.768 3.493 352 HA3 GLY 45 HA2 GLY 45 13.558 3.950 3.754 353 H ASP 46 H ASP 46 13.530 1.726 4.626 354 HA ASP 46 HA ASP 46 14.242 -0.480 2.804 355 HB2 ASP 46 HB1 ASP 46 13.023 -0.425 5.585 356 HB3 ASP 46 HB2 ASP 46 13.129 -1.889 4.593 357 H ASN 47 H ASN 47 12.899 0.107 0.994 358 HA ASN 47 HA ASN 47 10.062 0.444 1.168 359 HB2 ASN 47 HB1 ASN 47 11.918 -0.286 -1.115 360 HB3 ASN 47 HB2 ASN 47 10.182 -0.475 -1.300 361 HD21 ASN 47 HD22 ASN 47 12.743 1.880 -1.216 362 HD22 ASN 47 HD21 ASN 47 11.725 3.284 -1.395 363 H GLU 48 H GLU 48 12.084 -2.445 1.076 364 HA GLU 48 HA GLU 48 10.004 -4.311 0.514 365 HB2 GLU 48 HB1 GLU 48 12.640 -4.674 1.990 366 HB3 GLU 48 HB2 GLU 48 11.555 -5.992 1.493 367 HG2 GLU 48 HG1 GLU 48 11.694 -5.012 -0.890 368 HG3 GLU 48 HG2 GLU 48 13.036 -4.031 -0.299 369 H ARG 49 H ARG 49 11.051 -2.743 3.536 370 HA ARG 49 HA ARG 49 9.590 -4.476 5.306 371 HB2 ARG 49 HB1 ARG 49 11.318 -2.352 5.708 372 HB3 ARG 49 HB2 ARG 49 9.793 -1.532 5.972 373 HG2 ARG 49 HG1 ARG 49 10.358 -2.267 8.114 374 HG3 ARG 49 HG2 ARG 49 9.260 -3.558 7.571 375 HD2 ARG 49 HD1 ARG 49 11.371 -4.772 6.723 376 HD3 ARG 49 HD2 ARG 49 12.310 -3.512 7.552 377 HE ARG 49 HE ARG 49 10.359 -4.783 9.265 378 HH11 ARG 49 HH11 ARG 49 13.596 -5.197 7.830 379 HH12 ARG 49 HH12 ARG 49 14.171 -6.268 9.039 380 HH21 ARG 49 HH21 ARG 49 11.162 -6.058 10.978 381 HH22 ARG 49 HH22 ARG 49 12.648 -6.960 10.787 382 H VAL 50 H VAL 50 8.854 -1.439 3.669 383 HA VAL 50 HA VAL 50 6.205 -1.100 4.600 384 HB VAL 50 HB VAL 50 7.643 -0.102 2.116 385 HG11 VAL 50 HG11 VAL 50 5.300 0.210 1.741 386 HG12 VAL 50 HG12 VAL 50 5.072 0.780 3.409 387 HG13 VAL 50 HG13 VAL 50 5.970 1.774 2.215 388 HG21 VAL 50 HG21 VAL 50 7.967 1.984 3.441 389 HG22 VAL 50 HG22 VAL 50 7.263 1.179 4.858 390 HG23 VAL 50 HG23 VAL 50 8.797 0.615 4.167 391 H SER 51 H SER 51 7.483 -2.665 1.551 392 HA SER 51 HA SER 51 4.988 -3.177 0.410 393 HB2 SER 51 HB1 SER 51 6.082 -4.879 -0.928 394 HB3 SER 51 HB2 SER 51 7.095 -3.450 -0.800 395 HG SER 51 HG SER 51 7.486 -6.031 0.264 396 H GLN 52 H GLN 52 6.906 -5.315 2.579 397 HA GLN 52 HA GLN 52 4.958 -7.348 2.687 398 HB2 GLN 52 HB1 GLN 52 7.094 -6.563 4.715 399 HB3 GLN 52 HB2 GLN 52 6.106 -8.015 4.811 400 HG2 GLN 52 HG1 GLN 52 8.347 -7.334 2.929 401 HG3 GLN 52 HG2 GLN 52 8.010 -8.849 3.750 402 HE21 GLN 52 HE22 GLN 52 5.864 -9.962 2.912 403 HE22 GLN 52 HE21 GLN 52 5.489 -9.796 1.203 404 H THR 53 H THR 53 5.069 -4.383 4.609 405 HA THR 53 HA THR 53 2.955 -5.297 6.390 406 HB THR 53 HB THR 53 4.030 -2.549 5.619 407 HG1 THR 53 HG1 THR 53 5.166 -4.258 7.098 408 HG21 THR 53 HG21 THR 53 1.739 -2.225 6.400 409 HG22 THR 53 HG22 THR 53 2.860 -1.696 7.664 410 HG23 THR 53 HG23 THR 53 2.041 -3.255 7.824 411 H LEU 54 H LEU 54 3.037 -3.385 3.321 412 HA LEU 54 HA LEU 54 0.238 -2.897 3.244 413 HB2 LEU 54 HB1 LEU 54 2.400 -2.899 1.128 414 HB3 LEU 54 HB2 LEU 54 0.733 -2.401 0.789 415 HG LEU 54 HG LEU 54 2.489 -1.107 2.937 416 HD11 LEU 54 HD11 LEU 54 2.773 0.739 1.317 417 HD12 LEU 54 HD12 LEU 54 1.964 -0.235 0.081 418 HD13 LEU 54 HD13 LEU 54 3.494 -0.784 0.762 419 HD21 LEU 54 HD21 LEU 54 -0.163 -0.258 1.704 420 HD22 LEU 54 HD22 LEU 54 0.840 0.737 2.784 421 HD23 LEU 54 HD23 LEU 54 0.128 -0.751 3.388 422 H GLN 55 H GLN 55 2.108 -5.689 2.183 423 HA GLN 55 HA GLN 55 0.154 -6.879 0.497 424 HB2 GLN 55 HB1 GLN 55 2.114 -8.231 2.417 425 HB3 GLN 55 HB2 GLN 55 1.202 -9.035 1.143 426 HG2 GLN 55 HG1 GLN 55 2.465 -6.932 -0.198 427 HG3 GLN 55 HG2 GLN 55 3.670 -7.425 0.980 428 HE21 GLN 55 HE22 GLN 55 1.468 -8.876 -1.513 429 HE22 GLN 55 HE21 GLN 55 2.379 -10.352 -1.600 430 H ARG 56 H ARG 56 0.688 -7.216 4.009 431 HA ARG 56 HA ARG 56 -1.458 -9.035 4.497 432 HB2 ARG 56 HB1 ARG 56 -0.076 -6.973 6.290 433 HB3 ARG 56 HB2 ARG 56 -1.267 -8.141 6.848 434 HG2 ARG 56 HG1 ARG 56 0.213 -10.003 5.910 435 HG3 ARG 56 HG2 ARG 56 1.393 -8.771 5.458 436 HD2 ARG 56 HD1 ARG 56 2.085 -9.819 7.523 437 HD3 ARG 56 HD2 ARG 56 1.653 -8.133 7.823 438 HE ARG 56 HE ARG 56 -0.354 -10.305 8.267 439 HH11 ARG 56 HH11 ARG 56 1.845 -8.001 9.831 440 HH12 ARG 56 HH12 ARG 56 0.743 -7.655 11.131 441 HH21 ARG 56 HH21 ARG 56 -1.699 -9.989 10.005 442 HH22 ARG 56 HH22 ARG 56 -1.310 -8.862 11.274 443 H TRP 57 H TRP 57 -1.351 -5.546 4.354 444 HA TRP 57 HA TRP 57 -4.060 -5.129 5.261 445 HB2 TRP 57 HB1 TRP 57 -2.417 -3.312 5.316 446 HB3 TRP 57 HB2 TRP 57 -2.270 -3.350 3.559 447 HD1 TRP 57 HD1 TRP 57 -4.892 -2.615 6.290 448 HE1 TRP 57 HE1 TRP 57 -6.788 -1.307 5.361 449 HE3 TRP 57 HE3 TRP 57 -3.426 -2.610 1.419 450 HZ2 TRP 57 HZ2 TRP 57 -7.600 -0.262 2.687 451 HZ3 TRP 57 HZ3 TRP 57 -4.928 -1.654 -0.315 452 HH2 TRP 57 HH2 TRP 57 -6.971 -0.401 0.352 453 H LEU 58 H LEU 58 -2.634 -5.316 1.925 454 HA LEU 58 HA LEU 58 -5.123 -5.081 0.562 455 HB2 LEU 58 HB1 LEU 58 -2.356 -5.962 -0.115 456 HB3 LEU 58 HB2 LEU 58 -3.603 -6.601 -1.167 457 HG LEU 58 HG LEU 58 -3.620 -3.683 -0.499 458 HD11 LEU 58 HD11 LEU 58 -1.327 -4.122 -1.252 459 HD12 LEU 58 HD12 LEU 58 -2.201 -3.275 -2.542 460 HD13 LEU 58 HD13 LEU 58 -1.936 -5.024 -2.664 461 HD21 LEU 58 HD21 LEU 58 -5.564 -4.452 -1.672 462 HD22 LEU 58 HD22 LEU 58 -4.556 -5.186 -2.951 463 HD23 LEU 58 HD23 LEU 58 -4.614 -3.425 -2.735 464 H GLU 59 H GLU 59 -3.513 -7.913 1.950 465 HA GLU 59 HA GLU 59 -5.104 -9.950 0.766 466 HB2 GLU 59 HB1 GLU 59 -3.463 -9.646 3.282 467 HB3 GLU 59 HB2 GLU 59 -4.527 -11.024 3.153 468 HG2 GLU 59 HG1 GLU 59 -2.474 -10.379 1.005 469 HG3 GLU 59 HG2 GLU 59 -2.065 -11.294 2.459 470 H LYS 60 H LYS 60 -5.551 -8.142 3.881 471 HA LYS 60 HA LYS 60 -8.048 -9.501 4.438 472 HB2 LYS 60 HB1 LYS 60 -8.401 -7.895 6.222 473 HB3 LYS 60 HB2 LYS 60 -6.776 -8.540 6.293 474 HG2 LYS 60 HG1 LYS 60 -5.835 -6.527 5.438 475 HG3 LYS 60 HG2 LYS 60 -7.416 -5.817 5.066 476 HD2 LYS 60 HD1 LYS 60 -6.379 -6.441 7.841 477 HD3 LYS 60 HD2 LYS 60 -6.259 -4.870 7.055 478 HE2 LYS 60 HE1 LYS 60 -8.880 -6.293 7.706 479 HE3 LYS 60 HE2 LYS 60 -8.119 -5.038 8.685 480 HZ1 LYS 60 HZ1 LYS 60 -8.394 -3.518 6.727 481 HZ2 LYS 60 HZ2 LYS 60 -9.720 -4.023 7.497 482 HZ3 LYS 60 HZ3 LYS 60 -9.388 -4.708 6.059 483 H TYR 61 H TYR 61 -7.214 -6.585 2.664 484 HA TYR 61 HA TYR 61 -9.861 -5.498 2.603 485 HB2 TYR 61 HB1 TYR 61 -7.275 -4.692 1.768 486 HB3 TYR 61 HB2 TYR 61 -8.198 -4.793 0.298 487 HD1 TYR 61 HD2 TYR 61 -8.361 -3.533 3.829 488 HD2 TYR 61 HD1 TYR 61 -9.623 -2.951 -0.242 489 HE1 TYR 61 HE2 TYR 61 -9.454 -1.449 4.518 490 HE2 TYR 61 HE1 TYR 61 -10.690 -0.824 0.381 491 HH TYR 61 HH TYR 61 -11.367 0.492 2.063 492 H HIS 62 H HIS 62 -7.989 -7.131 -0.009 493 HA HIS 62 HA HIS 62 -10.284 -7.595 -1.620 494 HB2 HIS 62 HB1 HIS 62 -7.527 -8.782 -1.533 495 HB3 HIS 62 HB2 HIS 62 -8.733 -9.412 -2.645 496 HD1 HIS 62 HD1 HIS 62 -9.716 -7.767 -4.500 497 HD2 HIS 62 HD2 HIS 62 -6.474 -6.377 -2.229 498 HE1 HIS 62 HE1 HIS 62 -8.712 -5.794 -5.810 499 H ALA 63 H ALA 63 -9.481 -9.349 1.273 500 HA ALA 63 HA ALA 63 -10.761 -11.851 0.394 501 HB1 ALA 63 HB1 ALA 63 -8.964 -12.006 2.078 502 HB2 ALA 63 HB2 ALA 63 -9.825 -10.860 3.137 503 HB3 ALA 63 HB3 ALA 63 -10.510 -12.462 2.802 Start of MODEL 2 1 H1 GLY -1 H GLY -1 -0.852 -15.404 -4.898 2 HA2 GLY -1 HA1 GLY -1 1.703 -16.578 -3.971 3 HA3 GLY -1 HA2 GLY -1 1.402 -15.933 -5.595 4 HA PRO 0 HA PRO 0 2.629 -12.564 -2.398 5 HB2 PRO 0 HB1 PRO 0 5.362 -12.426 -2.578 6 HB3 PRO 0 HB2 PRO 0 4.500 -13.449 -1.392 7 HG2 PRO 0 HG1 PRO 0 5.674 -14.260 -4.060 8 HG3 PRO 0 HG2 PRO 0 5.809 -15.108 -2.491 9 HD2 PRO 0 HD1 PRO 0 3.999 -15.819 -4.407 10 HD3 PRO 0 HD2 PRO 0 3.612 -15.967 -2.664 11 H MET 1 H MET 1 1.697 -11.226 -3.784 12 HA MET 1 HA MET 1 2.278 -10.696 -6.533 13 HB2 MET 1 HB1 MET 1 0.912 -8.613 -6.019 14 HB3 MET 1 HB2 MET 1 0.139 -10.168 -5.798 15 HG2 MET 1 HG1 MET 1 0.546 -10.055 -3.357 16 HG3 MET 1 HG2 MET 1 1.328 -8.495 -3.562 17 HE1 MET 1 HE1 MET 1 -1.552 -6.156 -4.489 18 HE2 MET 1 HE2 MET 1 0.084 -6.670 -4.923 19 HE3 MET 1 HE3 MET 1 -1.301 -7.307 -5.825 20 H ASN 2 H ASN 2 3.514 -9.147 -7.521 21 HA ASN 2 HA ASN 2 5.989 -8.548 -6.292 22 HB2 ASN 2 HB1 ASN 2 4.762 -8.261 -8.925 23 HB3 ASN 2 HB2 ASN 2 5.648 -6.801 -8.524 24 HD21 ASN 2 HD22 ASN 2 5.985 -9.937 -9.800 25 HD22 ASN 2 HD21 ASN 2 7.652 -10.198 -9.404 26 H ILE 3 H ILE 3 7.004 -6.301 -6.072 27 HA ILE 3 HA ILE 3 5.465 -4.694 -4.287 28 HB ILE 3 HB ILE 3 7.997 -4.047 -5.857 29 HG12 ILE 3 HG11 ILE 3 7.371 -5.142 -3.088 30 HG13 ILE 3 HG12 ILE 3 8.379 -5.848 -4.345 31 HG21 ILE 3 HG21 ILE 3 6.738 -2.503 -3.549 32 HG22 ILE 3 HG22 ILE 3 8.289 -2.131 -4.332 33 HG23 ILE 3 HG23 ILE 3 6.810 -1.939 -5.234 34 HD11 ILE 3 HD11 ILE 3 10.005 -3.924 -3.986 35 HD12 ILE 3 HD12 ILE 3 9.030 -3.474 -2.557 36 HD13 ILE 3 HD13 ILE 3 9.827 -5.049 -2.619 37 H SER 4 H SER 4 6.071 -4.478 -7.758 38 HA SER 4 HA SER 4 4.796 -2.055 -8.357 39 HB2 SER 4 HB1 SER 4 6.259 -3.297 -9.872 40 HB3 SER 4 HB2 SER 4 5.128 -4.655 -9.913 41 HG SER 4 HG SER 4 3.746 -3.528 -11.092 42 H ASP 5 H ASP 5 3.395 -5.429 -7.978 43 HA ASP 5 HA ASP 5 0.748 -4.648 -8.713 44 HB2 ASP 5 HB1 ASP 5 1.725 -6.939 -6.993 45 HB3 ASP 5 HB2 ASP 5 0.123 -6.807 -7.718 46 H ILE 6 H ILE 6 2.436 -5.130 -5.594 47 HA ILE 6 HA ILE 6 0.271 -4.683 -3.849 48 HB ILE 6 HB ILE 6 3.248 -4.161 -3.544 49 HG12 ILE 6 HG11 ILE 6 1.586 -6.372 -2.243 50 HG13 ILE 6 HG12 ILE 6 2.301 -6.556 -3.841 51 HG21 ILE 6 HG21 ILE 6 2.902 -4.052 -1.095 52 HG22 ILE 6 HG22 ILE 6 2.050 -2.740 -1.896 53 HG23 ILE 6 HG23 ILE 6 1.152 -4.160 -1.327 54 HD11 ILE 6 HD11 ILE 6 4.560 -6.198 -2.901 55 HD12 ILE 6 HD12 ILE 6 3.834 -6.050 -1.278 56 HD13 ILE 6 HD13 ILE 6 3.705 -7.566 -2.164 57 H ARG 7 H ARG 7 2.665 -2.273 -5.031 58 HA ARG 7 HA ARG 7 1.173 -0.114 -3.872 59 HB2 ARG 7 HB1 ARG 7 2.767 1.293 -4.714 60 HB3 ARG 7 HB2 ARG 7 3.648 -0.192 -4.424 61 HG2 ARG 7 HG1 ARG 7 3.564 -0.729 -6.829 62 HG3 ARG 7 HG2 ARG 7 2.777 0.824 -7.150 63 HD2 ARG 7 HD1 ARG 7 4.717 2.046 -6.290 64 HD3 ARG 7 HD2 ARG 7 5.452 0.546 -5.721 65 HE ARG 7 HE ARG 7 6.118 -0.033 -7.853 66 HH11 ARG 7 HH11 ARG 7 4.396 3.097 -8.122 67 HH12 ARG 7 HH12 ARG 7 4.533 3.124 -9.845 68 HH21 ARG 7 HH21 ARG 7 6.381 0.069 -9.948 69 HH22 ARG 7 HH22 ARG 7 5.656 1.290 -10.966 70 H ALA 8 H ALA 8 0.898 -1.682 -7.016 71 HA ALA 8 HA ALA 8 -0.627 0.403 -8.286 72 HB1 ALA 8 HB1 ALA 8 -0.496 -2.592 -8.855 73 HB2 ALA 8 HB2 ALA 8 -1.229 -1.364 -9.906 74 HB3 ALA 8 HB3 ALA 8 0.506 -1.305 -9.572 75 H GLY 9 H GLY 9 -1.483 -2.497 -6.355 76 HA2 GLY 9 HA1 GLY 9 -4.283 -2.470 -6.710 77 HA3 GLY 9 HA2 GLY 9 -3.415 -3.075 -5.267 78 H LEU 10 H LEU 10 -2.175 -0.811 -4.344 79 HA LEU 10 HA LEU 10 -4.204 0.523 -2.942 80 HB2 LEU 10 HB1 LEU 10 -1.528 1.759 -3.555 81 HB3 LEU 10 HB2 LEU 10 -2.602 2.138 -2.203 82 HG LEU 10 HG LEU 10 -0.939 -0.358 -2.611 83 HD11 LEU 10 HD11 LEU 10 0.025 0.370 -0.447 84 HD12 LEU 10 HD12 LEU 10 -0.957 1.846 -0.557 85 HD13 LEU 10 HD13 LEU 10 0.297 1.492 -1.788 86 HD21 LEU 10 HD21 LEU 10 -3.091 0.141 -0.521 87 HD22 LEU 10 HD22 LEU 10 -1.825 -1.117 -0.370 88 HD23 LEU 10 HD23 LEU 10 -2.986 -1.183 -1.686 89 H ARG 11 H ARG 11 -2.641 1.510 -5.994 90 HA ARG 11 HA ARG 11 -3.819 4.119 -6.113 91 HB2 ARG 11 HB1 ARG 11 -3.269 2.279 -8.482 92 HB3 ARG 11 HB2 ARG 11 -3.577 4.014 -8.529 93 HG2 ARG 11 HG1 ARG 11 -1.503 4.351 -7.151 94 HG3 ARG 11 HG2 ARG 11 -1.191 2.605 -7.323 95 HD2 ARG 11 HD1 ARG 11 -0.945 2.771 -9.696 96 HD3 ARG 11 HD2 ARG 11 -1.681 4.368 -9.753 97 HE ARG 11 HE ARG 11 1.069 3.716 -9.345 98 HH11 ARG 11 HH11 ARG 11 -1.355 6.268 -8.513 99 HH12 ARG 11 HH12 ARG 11 -0.281 7.538 -8.950 100 HH21 ARG 11 HH21 ARG 11 2.551 5.496 -9.465 101 HH22 ARG 11 HH22 ARG 11 1.937 7.114 -9.380 102 H THR 12 H THR 12 -4.873 0.946 -7.296 103 HA THR 12 HA THR 12 -7.290 1.778 -8.485 104 HB THR 12 HB THR 12 -6.719 -0.880 -7.089 105 HG1 THR 12 HG1 THR 12 -6.346 0.064 -9.734 106 HG21 THR 12 HG21 THR 12 -8.729 -0.206 -9.270 107 HG22 THR 12 HG22 THR 12 -9.099 -0.715 -7.616 108 HG23 THR 12 HG23 THR 12 -8.289 -1.837 -8.726 109 H LEU 13 H LEU 13 -6.915 0.570 -5.100 110 HA LEU 13 HA LEU 13 -9.577 1.101 -4.318 111 HB2 LEU 13 HB1 LEU 13 -6.993 0.892 -2.873 112 HB3 LEU 13 HB2 LEU 13 -8.445 1.366 -1.993 113 HG LEU 13 HG LEU 13 -7.922 -0.967 -1.692 114 HD11 LEU 13 HD11 LEU 13 -10.318 -0.332 -1.607 115 HD12 LEU 13 HD12 LEU 13 -10.040 -2.002 -2.100 116 HD13 LEU 13 HD13 LEU 13 -10.473 -0.805 -3.319 117 HD21 LEU 13 HD21 LEU 13 -6.890 -1.412 -3.900 118 HD22 LEU 13 HD22 LEU 13 -8.537 -1.462 -4.596 119 HD23 LEU 13 HD23 LEU 13 -8.015 -2.636 -3.353 120 H VAL 14 H VAL 14 -6.780 3.453 -4.337 121 HA VAL 14 HA VAL 14 -8.503 5.446 -3.001 122 HB VAL 14 HB VAL 14 -6.742 7.045 -3.257 123 HG11 VAL 14 HG11 VAL 14 -5.726 4.387 -2.207 124 HG12 VAL 14 HG12 VAL 14 -5.164 6.005 -1.728 125 HG13 VAL 14 HG13 VAL 14 -6.814 5.494 -1.334 126 HG21 VAL 14 HG21 VAL 14 -5.069 4.925 -4.588 127 HG22 VAL 14 HG22 VAL 14 -5.695 6.370 -5.385 128 HG23 VAL 14 HG23 VAL 14 -4.523 6.531 -4.071 129 H GLU 15 H GLU 15 -7.508 4.829 -6.368 130 HA GLU 15 HA GLU 15 -8.615 7.211 -7.510 131 HB2 GLU 15 HB1 GLU 15 -7.977 4.468 -8.686 132 HB3 GLU 15 HB2 GLU 15 -8.424 5.857 -9.648 133 HG2 GLU 15 HG1 GLU 15 -5.952 5.879 -7.879 134 HG3 GLU 15 HG2 GLU 15 -5.943 5.227 -9.507 135 H ASN 16 H ASN 16 -9.917 3.957 -6.801 136 HA ASN 16 HA ASN 16 -12.447 4.455 -8.217 137 HB2 ASN 16 HB1 ASN 16 -11.434 2.190 -6.447 138 HB3 ASN 16 HB2 ASN 16 -13.092 2.284 -6.990 139 HD21 ASN 16 HD22 ASN 16 -9.885 2.651 -8.561 140 HD22 ASN 16 HD21 ASN 16 -10.282 1.689 -9.976 141 H GLU 17 H GLU 17 -11.213 5.686 -5.404 142 HA GLU 17 HA GLU 17 -11.962 6.818 -3.667 143 HB2 GLU 17 HB1 GLU 17 -14.712 6.436 -4.866 144 HB3 GLU 17 HB2 GLU 17 -14.321 7.530 -3.549 145 HG2 GLU 17 HG1 GLU 17 -13.037 8.948 -4.892 146 HG3 GLU 17 HG2 GLU 17 -12.898 7.776 -6.206 147 H GLU 18 H GLU 18 -12.143 3.685 -3.902 148 HA GLU 18 HA GLU 18 -13.952 2.634 -2.083 149 HB2 GLU 18 HB1 GLU 18 -11.063 1.717 -2.560 150 HB3 GLU 18 HB2 GLU 18 -12.324 0.767 -1.855 151 HG2 GLU 18 HG1 GLU 18 -12.962 1.936 -4.553 152 HG3 GLU 18 HG2 GLU 18 -11.664 0.760 -4.503 153 H THR 19 H THR 19 -10.807 4.141 -1.506 154 HA THR 19 HA THR 19 -11.481 4.529 1.330 155 HB THR 19 HB THR 19 -10.303 2.239 0.894 156 HG1 THR 19 HG1 THR 19 -10.442 2.876 2.899 157 HG21 THR 19 HG21 THR 19 -7.819 2.350 0.786 158 HG22 THR 19 HG22 THR 19 -7.852 4.075 0.627 159 HG23 THR 19 HG23 THR 19 -8.562 3.093 -0.666 160 H THR 20 H THR 20 -9.299 5.595 2.307 161 HA THR 20 HA THR 20 -8.198 7.629 0.436 162 HB THR 20 HB THR 20 -9.294 8.155 3.224 163 HG1 THR 20 HG1 THR 20 -10.776 7.801 1.228 164 HG21 THR 20 HG21 THR 20 -7.524 9.741 2.684 165 HG22 THR 20 HG22 THR 20 -9.077 10.552 2.475 166 HG23 THR 20 HG23 THR 20 -8.189 9.983 1.046 167 H PHE 21 H PHE 21 -6.031 8.372 1.191 168 HA PHE 21 HA PHE 21 -4.347 6.333 2.020 169 HB2 PHE 21 HB1 PHE 21 -4.068 9.341 2.055 170 HB3 PHE 21 HB2 PHE 21 -2.797 8.327 2.710 171 HD1 PHE 21 HD1 PHE 21 -4.548 9.272 -0.419 172 HD2 PHE 21 HD2 PHE 21 -1.403 6.901 1.341 173 HE1 PHE 21 HE1 PHE 21 -3.625 8.865 -2.657 174 HE2 PHE 21 HE2 PHE 21 -0.486 6.479 -0.914 175 HZ PHE 21 HZ PHE 21 -1.582 7.483 -2.935 176 H LYS 22 H LYS 22 -5.995 8.650 4.180 177 HA LYS 22 HA LYS 22 -4.455 8.026 6.513 178 HB2 LYS 22 HB1 LYS 22 -7.164 9.225 5.962 179 HB3 LYS 22 HB2 LYS 22 -6.849 8.632 7.595 180 HG2 LYS 22 HG1 LYS 22 -4.708 9.999 7.611 181 HG3 LYS 22 HG2 LYS 22 -5.199 10.665 6.066 182 HD2 LYS 22 HD1 LYS 22 -5.974 12.251 7.667 183 HD3 LYS 22 HD2 LYS 22 -7.406 11.340 7.215 184 HE2 LYS 22 HE1 LYS 22 -7.378 11.642 9.610 185 HE3 LYS 22 HE2 LYS 22 -7.180 9.929 9.248 186 HZ1 LYS 22 HZ1 LYS 22 -4.972 11.773 9.928 187 HZ2 LYS 22 HZ2 LYS 22 -4.827 10.159 9.669 188 HZ3 LYS 22 HZ3 LYS 22 -5.677 10.681 10.968 189 H GLN 23 H GLN 23 -7.321 6.430 5.119 190 HA GLN 23 HA GLN 23 -7.722 4.749 7.370 191 HB2 GLN 23 HB1 GLN 23 -9.438 5.336 5.682 192 HB3 GLN 23 HB2 GLN 23 -8.531 4.444 4.458 193 HG2 GLN 23 HG1 GLN 23 -10.441 3.171 5.300 194 HG3 GLN 23 HG2 GLN 23 -8.934 2.327 5.638 195 HE21 GLN 23 HE22 GLN 23 -8.154 2.330 7.905 196 HE22 GLN 23 HE21 GLN 23 -9.345 2.588 9.185 197 H ILE 24 H ILE 24 -5.936 4.318 4.266 198 HA ILE 24 HA ILE 24 -5.189 1.622 4.708 199 HB ILE 24 HB ILE 24 -3.487 3.702 3.285 200 HG12 ILE 24 HG11 ILE 24 -5.649 2.058 1.920 201 HG13 ILE 24 HG12 ILE 24 -5.896 3.719 2.438 202 HG21 ILE 24 HG21 ILE 24 -2.694 1.742 1.967 203 HG22 ILE 24 HG22 ILE 24 -2.447 1.443 3.680 204 HG23 ILE 24 HG23 ILE 24 -3.817 0.690 2.848 205 HD11 ILE 24 HD11 ILE 24 -3.856 2.803 0.392 206 HD12 ILE 24 HD12 ILE 24 -5.296 3.799 0.138 207 HD13 ILE 24 HD13 ILE 24 -3.921 4.442 1.056 208 H ALA 25 H ALA 25 -3.466 4.695 5.501 209 HA ALA 25 HA ALA 25 -1.150 3.567 6.643 210 HB1 ALA 25 HB1 ALA 25 -0.961 5.781 7.777 211 HB2 ALA 25 HB2 ALA 25 -1.421 5.958 6.070 212 HB3 ALA 25 HB3 ALA 25 -2.639 6.144 7.348 213 H LEU 26 H LEU 26 -4.190 4.550 8.242 214 HA LEU 26 HA LEU 26 -3.527 3.970 10.888 215 HB2 LEU 26 HB1 LEU 26 -5.444 5.275 10.180 216 HB3 LEU 26 HB2 LEU 26 -6.143 3.894 9.336 217 HG LEU 26 HG LEU 26 -6.503 2.747 11.506 218 HD11 LEU 26 HD11 LEU 26 -5.529 5.398 12.700 219 HD12 LEU 26 HD12 LEU 26 -4.722 3.820 12.866 220 HD13 LEU 26 HD13 LEU 26 -6.298 4.071 13.598 221 HD21 LEU 26 HD21 LEU 26 -8.222 4.121 10.419 222 HD22 LEU 26 HD22 LEU 26 -7.642 5.563 11.287 223 HD23 LEU 26 HD23 LEU 26 -8.353 4.203 12.174 224 H GLU 27 H GLU 27 -5.004 1.823 8.418 225 HA GLU 27 HA GLU 27 -5.260 -0.402 10.258 226 HB2 GLU 27 HB1 GLU 27 -5.587 -0.020 7.273 227 HB3 GLU 27 HB2 GLU 27 -5.865 -1.572 8.085 228 HG2 GLU 27 HG1 GLU 27 -7.296 0.928 9.000 229 HG3 GLU 27 HG2 GLU 27 -7.920 -0.068 7.682 230 H SER 28 H SER 28 -2.946 0.424 7.632 231 HA SER 28 HA SER 28 -1.587 -2.131 7.757 232 HB2 SER 28 HB1 SER 28 0.078 -0.992 6.300 233 HB3 SER 28 HB2 SER 28 -1.585 -0.753 5.724 234 HG SER 28 HG SER 28 -1.624 1.253 6.450 235 H GLY 29 H GLY 29 -1.251 0.956 9.416 236 HA2 GLY 29 HA1 GLY 29 -0.150 1.306 11.439 237 HA3 GLY 29 HA2 GLY 29 0.808 -0.166 11.211 238 H LEU 30 H LEU 30 0.553 1.847 8.402 239 HA LEU 30 HA LEU 30 3.382 2.730 8.709 240 HB2 LEU 30 HB1 LEU 30 1.628 2.685 6.224 241 HB3 LEU 30 HB2 LEU 30 3.316 3.118 6.277 242 HG LEU 30 HG LEU 30 2.388 0.345 7.110 243 HD11 LEU 30 HD11 LEU 30 1.594 0.645 4.881 244 HD12 LEU 30 HD12 LEU 30 3.079 -0.317 4.791 245 HD13 LEU 30 HD13 LEU 30 3.107 1.410 4.360 246 HD21 LEU 30 HD21 LEU 30 4.751 -0.215 6.572 247 HD22 LEU 30 HD22 LEU 30 4.659 1.012 7.835 248 HD23 LEU 30 HD23 LEU 30 5.071 1.487 6.174 249 H SER 31 H SER 31 3.602 4.879 7.251 250 HA SER 31 HA SER 31 1.828 6.918 8.485 251 HB2 SER 31 HB1 SER 31 4.263 7.038 8.883 252 HB3 SER 31 HB2 SER 31 4.547 7.119 7.137 253 HG SER 31 HG SER 31 3.398 9.008 8.881 254 H THR 32 H THR 32 0.711 8.424 7.109 255 HA THR 32 HA THR 32 -0.270 7.511 4.661 256 HB THR 32 HB THR 32 -0.904 10.063 4.503 257 HG1 THR 32 HG1 THR 32 0.391 11.050 5.962 258 HG21 THR 32 HG21 THR 32 -1.796 8.449 6.926 259 HG22 THR 32 HG22 THR 32 -2.427 8.273 5.277 260 HG23 THR 32 HG23 THR 32 -2.667 9.796 6.149 261 H GLY 33 H GLY 33 2.204 10.038 5.288 262 HA2 GLY 33 HA1 GLY 33 2.783 10.702 2.630 263 HA3 GLY 33 HA2 GLY 33 3.913 10.835 3.990 264 H THR 34 H THR 34 4.193 8.128 4.726 265 HA THR 34 HA THR 34 6.150 7.239 2.913 266 HB THR 34 HB THR 34 4.656 5.941 5.210 267 HG1 THR 34 HG1 THR 34 6.820 7.582 4.818 268 HG21 THR 34 HG21 THR 34 5.411 4.066 3.992 269 HG22 THR 34 HG22 THR 34 6.544 4.313 5.314 270 HG23 THR 34 HG23 THR 34 6.995 4.820 3.656 271 H ILE 35 H ILE 35 2.746 5.877 3.385 272 HA ILE 35 HA ILE 35 2.966 3.980 1.324 273 HB ILE 35 HB ILE 35 0.585 5.630 2.228 274 HG12 ILE 35 HG11 ILE 35 1.292 2.760 2.994 275 HG13 ILE 35 HG12 ILE 35 1.826 4.129 3.959 276 HG21 ILE 35 HG21 ILE 35 0.168 4.514 -0.004 277 HG22 ILE 35 HG22 ILE 35 0.627 2.967 0.724 278 HG23 ILE 35 HG23 ILE 35 -0.838 3.826 1.249 279 HD11 ILE 35 HD11 ILE 35 -0.470 4.855 4.346 280 HD12 ILE 35 HD12 ILE 35 -1.096 3.509 3.372 281 HD13 ILE 35 HD13 ILE 35 -0.218 3.149 4.842 282 H SER 36 H SER 36 1.950 7.428 1.135 283 HA SER 36 HA SER 36 1.364 7.464 -1.630 284 HB2 SER 36 HB1 SER 36 1.355 9.282 0.509 285 HB3 SER 36 HB2 SER 36 2.540 9.971 -0.609 286 HG SER 36 HG SER 36 -0.175 9.227 -1.161 287 H SER 37 H SER 37 4.562 8.017 0.032 288 HA SER 37 HA SER 37 5.962 8.651 -2.364 289 HB2 SER 37 HB1 SER 37 6.430 8.140 0.548 290 HB3 SER 37 HB2 SER 37 7.722 7.703 -0.481 291 HG SER 37 HG SER 37 6.514 10.200 -0.320 292 H PHE 38 H PHE 38 5.246 5.590 -0.619 293 HA PHE 38 HA PHE 38 7.046 3.913 -2.076 294 HB2 PHE 38 HB1 PHE 38 6.197 3.226 0.040 295 HB3 PHE 38 HB2 PHE 38 4.529 3.455 -0.441 296 HD1 PHE 38 HD1 PHE 38 7.470 1.199 -0.784 297 HD2 PHE 38 HD2 PHE 38 3.262 1.774 -1.580 298 HE1 PHE 38 HE1 PHE 38 7.225 -1.222 -1.329 299 HE2 PHE 38 HE2 PHE 38 3.059 -0.622 -2.155 300 HZ PHE 38 HZ PHE 38 5.026 -2.107 -2.059 301 H ILE 39 H ILE 39 3.556 4.736 -2.546 302 HA ILE 39 HA ILE 39 3.181 3.195 -4.897 303 HB ILE 39 HB ILE 39 1.841 5.728 -3.906 304 HG12 ILE 39 HG11 ILE 39 0.869 2.828 -3.948 305 HG13 ILE 39 HG12 ILE 39 1.567 3.629 -2.550 306 HG21 ILE 39 HG21 ILE 39 1.513 5.642 -6.353 307 HG22 ILE 39 HG22 ILE 39 0.938 3.956 -6.223 308 HG23 ILE 39 HG23 ILE 39 0.018 5.310 -5.526 309 HD11 ILE 39 HD11 ILE 39 -1.085 4.215 -3.883 310 HD12 ILE 39 HD12 ILE 39 -0.751 3.819 -2.194 311 HD13 ILE 39 HD13 ILE 39 -0.289 5.410 -2.840 312 H ASN 40 H ASN 40 4.489 6.442 -4.477 313 HA ASN 40 HA ASN 40 4.684 6.956 -7.318 314 HB2 ASN 40 HB1 ASN 40 4.609 8.549 -5.088 315 HB3 ASN 40 HB2 ASN 40 6.336 8.509 -5.361 316 HD21 ASN 40 HD22 ASN 40 3.193 9.404 -6.721 317 HD22 ASN 40 HD21 ASN 40 3.869 10.577 -7.856 318 H ASP 41 H ASP 41 6.577 4.914 -5.343 319 HA ASP 41 HA ASP 41 8.650 4.077 -5.440 320 HB2 ASP 41 HB1 ASP 41 7.943 3.336 -7.652 321 HB3 ASP 41 HB2 ASP 41 8.552 4.828 -8.367 322 H LYS 42 H LYS 42 8.395 6.492 -4.331 323 HA LYS 42 HA LYS 42 10.985 7.870 -4.899 324 HB2 LYS 42 HB1 LYS 42 8.324 9.144 -4.111 325 HB3 LYS 42 HB2 LYS 42 9.860 9.989 -4.044 326 HG2 LYS 42 HG1 LYS 42 8.721 8.835 -6.594 327 HG3 LYS 42 HG2 LYS 42 8.420 10.477 -6.051 328 HD2 LYS 42 HD1 LYS 42 11.226 9.396 -6.591 329 HD3 LYS 42 HD2 LYS 42 10.199 10.168 -7.796 330 HE2 LYS 42 HE1 LYS 42 9.995 12.143 -6.144 331 HE3 LYS 42 HE2 LYS 42 11.388 11.428 -5.312 332 HZ1 LYS 42 HZ1 LYS 42 11.314 12.225 -8.168 333 HZ2 LYS 42 HZ2 LYS 42 12.659 11.668 -7.351 334 HZ3 LYS 42 HZ3 LYS 42 12.013 13.101 -6.976 335 H TYR 43 H TYR 43 9.239 5.994 -2.670 336 HA TYR 43 HA TYR 43 9.929 7.426 -0.264 337 HB2 TYR 43 HB1 TYR 43 8.210 5.598 -0.285 338 HB3 TYR 43 HB2 TYR 43 9.474 4.438 -0.644 339 HD1 TYR 43 HD1 TYR 43 9.355 7.298 1.905 340 HD2 TYR 43 HD2 TYR 43 9.592 3.041 1.227 341 HE1 TYR 43 HE1 TYR 43 9.803 6.923 4.298 342 HE2 TYR 43 HE2 TYR 43 10.109 2.671 3.594 343 HH TYR 43 HH TYR 43 9.744 5.148 6.027 344 H ASN 44 H ASN 44 11.704 7.196 1.079 345 HA ASN 44 HA ASN 44 14.131 5.862 -0.055 346 HB2 ASN 44 HB1 ASN 44 13.728 8.584 1.176 347 HB3 ASN 44 HB2 ASN 44 15.228 7.721 1.467 348 HD21 ASN 44 HD22 ASN 44 16.679 7.261 -0.349 349 HD22 ASN 44 HD21 ASN 44 16.411 8.062 -1.893 350 H GLY 45 H GLY 45 13.746 3.981 1.053 351 HA2 GLY 45 HA1 GLY 45 14.542 3.801 3.742 352 HA3 GLY 45 HA2 GLY 45 12.767 3.728 3.630 353 H ASP 46 H ASP 46 13.049 1.495 4.336 354 HA ASP 46 HA ASP 46 14.168 -0.362 2.308 355 HB2 ASP 46 HB1 ASP 46 13.078 -0.830 5.106 356 HB3 ASP 46 HB2 ASP 46 13.652 -2.101 4.020 357 H ASN 47 H ASN 47 12.759 0.186 0.666 358 HA ASN 47 HA ASN 47 9.967 0.461 0.925 359 HB2 ASN 47 HB1 ASN 47 11.564 -0.303 -1.539 360 HB3 ASN 47 HB2 ASN 47 9.879 0.210 -1.517 361 HD21 ASN 47 HD22 ASN 47 11.411 1.862 -3.152 362 HD22 ASN 47 HD21 ASN 47 11.799 3.309 -2.254 363 H GLU 48 H GLU 48 12.001 -2.359 0.684 364 HA GLU 48 HA GLU 48 10.129 -4.383 0.065 365 HB2 GLU 48 HB1 GLU 48 12.625 -4.524 0.068 366 HB3 GLU 48 HB2 GLU 48 12.616 -4.439 1.822 367 HG2 GLU 48 HG1 GLU 48 12.958 -6.706 1.255 368 HG3 GLU 48 HG2 GLU 48 11.307 -6.609 1.852 369 H ARG 49 H ARG 49 10.837 -2.667 3.120 370 HA ARG 49 HA ARG 49 9.414 -4.552 4.863 371 HB2 ARG 49 HB1 ARG 49 11.186 -2.971 5.725 372 HB3 ARG 49 HB2 ARG 49 10.184 -1.616 5.261 373 HG2 ARG 49 HG1 ARG 49 9.913 -1.822 7.571 374 HG3 ARG 49 HG2 ARG 49 8.407 -2.328 6.854 375 HD2 ARG 49 HD1 ARG 49 9.117 -3.739 8.788 376 HD3 ARG 49 HD2 ARG 49 8.858 -4.659 7.307 377 HE ARG 49 HE ARG 49 10.981 -5.409 7.465 378 HH11 ARG 49 HH11 ARG 49 11.008 -2.351 9.285 379 HH12 ARG 49 HH12 ARG 49 12.730 -2.291 9.431 380 HH21 ARG 49 HH21 ARG 49 13.085 -5.477 7.827 381 HH22 ARG 49 HH22 ARG 49 13.985 -4.244 8.684 382 H VAL 50 H VAL 50 8.751 -1.395 3.301 383 HA VAL 50 HA VAL 50 6.119 -1.089 4.251 384 HB VAL 50 HB VAL 50 7.243 -0.076 1.603 385 HG11 VAL 50 HG11 VAL 50 5.090 1.047 3.431 386 HG12 VAL 50 HG12 VAL 50 5.685 1.799 1.931 387 HG13 VAL 50 HG13 VAL 50 4.804 0.272 1.861 388 HG21 VAL 50 HG21 VAL 50 8.798 0.592 3.346 389 HG22 VAL 50 HG22 VAL 50 7.809 1.980 2.915 390 HG23 VAL 50 HG23 VAL 50 7.451 1.096 4.412 391 H SER 51 H SER 51 7.263 -2.769 1.185 392 HA SER 51 HA SER 51 4.648 -3.354 0.304 393 HB2 SER 51 HB1 SER 51 5.898 -5.277 -0.896 394 HB3 SER 51 HB2 SER 51 6.344 -3.620 -1.285 395 HG SER 51 HG SER 51 7.960 -5.456 -0.580 396 H GLN 52 H GLN 52 6.851 -5.235 2.465 397 HA GLN 52 HA GLN 52 5.137 -7.458 2.809 398 HB2 GLN 52 HB1 GLN 52 7.260 -6.205 4.592 399 HB3 GLN 52 HB2 GLN 52 6.396 -7.679 5.049 400 HG2 GLN 52 HG1 GLN 52 7.875 -7.429 2.395 401 HG3 GLN 52 HG2 GLN 52 8.650 -7.977 3.882 402 HE21 GLN 52 HE22 GLN 52 6.392 -8.866 1.331 403 HE22 GLN 52 HE21 GLN 52 6.100 -10.500 1.853 404 H THR 53 H THR 53 5.161 -4.294 4.573 405 HA THR 53 HA THR 53 3.208 -5.135 6.502 406 HB THR 53 HB THR 53 3.825 -2.321 5.483 407 HG1 THR 53 HG1 THR 53 5.287 -4.082 7.066 408 HG21 THR 53 HG21 THR 53 2.790 -3.350 8.145 409 HG22 THR 53 HG22 THR 53 1.901 -2.341 6.978 410 HG23 THR 53 HG23 THR 53 3.296 -1.689 7.858 411 H LEU 54 H LEU 54 3.062 -3.667 3.270 412 HA LEU 54 HA LEU 54 0.209 -3.134 3.391 413 HB2 LEU 54 HB1 LEU 54 2.231 -3.213 1.127 414 HB3 LEU 54 HB2 LEU 54 0.529 -2.807 0.888 415 HG LEU 54 HG LEU 54 2.339 -1.272 2.809 416 HD11 LEU 54 HD11 LEU 54 1.758 -0.818 -0.119 417 HD12 LEU 54 HD12 LEU 54 3.310 -1.047 0.667 418 HD13 LEU 54 HD13 LEU 54 2.406 0.445 0.985 419 HD21 LEU 54 HD21 LEU 54 0.022 -0.975 3.345 420 HD22 LEU 54 HD22 LEU 54 -0.409 -0.706 1.641 421 HD23 LEU 54 HD23 LEU 54 0.580 0.483 2.526 422 H GLN 55 H GLN 55 2.198 -5.917 2.469 423 HA GLN 55 HA GLN 55 0.280 -7.338 0.953 424 HB2 GLN 55 HB1 GLN 55 2.526 -8.233 2.798 425 HB3 GLN 55 HB2 GLN 55 1.471 -9.388 2.040 426 HG2 GLN 55 HG1 GLN 55 2.440 -7.463 0.052 427 HG3 GLN 55 HG2 GLN 55 3.790 -8.195 0.907 428 HE21 GLN 55 HE22 GLN 55 0.845 -8.948 -0.967 429 HE22 GLN 55 HE21 GLN 55 1.109 -10.650 -1.041 430 H ARG 56 H ARG 56 0.852 -7.412 4.537 431 HA ARG 56 HA ARG 56 -1.242 -9.224 5.091 432 HB2 ARG 56 HB1 ARG 56 -0.284 -6.894 6.834 433 HB3 ARG 56 HB2 ARG 56 -1.306 -8.237 7.361 434 HG2 ARG 56 HG1 ARG 56 0.562 -9.827 6.739 435 HG3 ARG 56 HG2 ARG 56 1.588 -8.388 6.468 436 HD2 ARG 56 HD1 ARG 56 0.996 -7.620 8.799 437 HD3 ARG 56 HD2 ARG 56 0.131 -9.150 9.037 438 HE ARG 56 HE ARG 56 2.883 -9.539 8.173 439 HH11 ARG 56 HH11 ARG 56 0.889 -8.855 11.083 440 HH12 ARG 56 HH12 ARG 56 2.157 -9.284 12.159 441 HH21 ARG 56 HH21 ARG 56 4.433 -10.243 9.605 442 HH22 ARG 56 HH22 ARG 56 4.184 -10.116 11.332 443 H TRP 57 H TRP 57 -1.326 -5.659 4.991 444 HA TRP 57 HA TRP 57 -4.066 -5.424 5.670 445 HB2 TRP 57 HB1 TRP 57 -2.501 -3.580 5.839 446 HB3 TRP 57 HB2 TRP 57 -2.222 -3.595 4.097 447 HD1 TRP 57 HD1 TRP 57 -5.076 -2.856 6.603 448 HE1 TRP 57 HE1 TRP 57 -6.856 -1.471 5.501 449 HE3 TRP 57 HE3 TRP 57 -3.259 -2.962 1.888 450 HZ2 TRP 57 HZ2 TRP 57 -7.278 -0.197 2.878 451 HZ3 TRP 57 HZ3 TRP 57 -4.588 -1.956 0.037 452 HH2 TRP 57 HH2 TRP 57 -6.516 -0.533 0.537 453 H LEU 58 H LEU 58 -2.489 -5.645 2.433 454 HA LEU 58 HA LEU 58 -4.891 -5.479 0.925 455 HB2 LEU 58 HB1 LEU 58 -2.060 -6.291 0.398 456 HB3 LEU 58 HB2 LEU 58 -3.249 -6.935 -0.720 457 HG LEU 58 HG LEU 58 -3.338 -4.021 -0.004 458 HD11 LEU 58 HD11 LEU 58 -1.879 -3.526 -1.959 459 HD12 LEU 58 HD12 LEU 58 -1.605 -5.271 -2.180 460 HD13 LEU 58 HD13 LEU 58 -1.019 -4.440 -0.711 461 HD21 LEU 58 HD21 LEU 58 -4.256 -3.819 -2.309 462 HD22 LEU 58 HD22 LEU 58 -5.245 -4.772 -1.211 463 HD23 LEU 58 HD23 LEU 58 -4.216 -5.589 -2.424 464 H GLU 59 H GLU 59 -3.355 -8.242 2.533 465 HA GLU 59 HA GLU 59 -4.855 -10.286 1.157 466 HB2 GLU 59 HB1 GLU 59 -3.419 -10.137 3.827 467 HB3 GLU 59 HB2 GLU 59 -4.302 -11.577 3.316 468 HG2 GLU 59 HG1 GLU 59 -2.845 -11.995 1.505 469 HG3 GLU 59 HG2 GLU 59 -2.220 -10.372 1.474 470 H LYS 60 H LYS 60 -5.369 -8.503 4.293 471 HA LYS 60 HA LYS 60 -7.915 -9.798 4.689 472 HB2 LYS 60 HB1 LYS 60 -8.416 -8.234 6.416 473 HB3 LYS 60 HB2 LYS 60 -6.770 -8.836 6.604 474 HG2 LYS 60 HG1 LYS 60 -5.830 -6.778 5.873 475 HG3 LYS 60 HG2 LYS 60 -7.397 -6.117 5.373 476 HD2 LYS 60 HD1 LYS 60 -6.609 -6.751 8.234 477 HD3 LYS 60 HD2 LYS 60 -6.514 -5.152 7.460 478 HE2 LYS 60 HE1 LYS 60 -8.977 -5.317 6.991 479 HE3 LYS 60 HE2 LYS 60 -9.040 -6.775 7.976 480 HZ1 LYS 60 HZ1 LYS 60 -9.671 -4.856 9.262 481 HZ2 LYS 60 HZ2 LYS 60 -8.292 -4.061 8.962 482 HZ3 LYS 60 HZ3 LYS 60 -8.282 -5.435 9.873 483 H TYR 61 H TYR 61 -6.952 -6.819 3.010 484 HA TYR 61 HA TYR 61 -9.587 -5.870 2.636 485 HB2 TYR 61 HB1 TYR 61 -7.030 -4.928 2.072 486 HB3 TYR 61 HB2 TYR 61 -7.695 -5.162 0.481 487 HD1 TYR 61 HD1 TYR 61 -9.799 -3.865 -0.153 488 HD2 TYR 61 HD2 TYR 61 -7.898 -3.435 3.696 489 HE1 TYR 61 HE1 TYR 61 -11.126 -1.827 0.259 490 HE2 TYR 61 HE2 TYR 61 -9.232 -1.429 4.166 491 HH TYR 61 HH TYR 61 -11.950 -0.509 2.282 492 H HIS 62 H HIS 62 -7.509 -7.721 0.331 493 HA HIS 62 HA HIS 62 -9.505 -7.868 -1.697 494 HB2 HIS 62 HB1 HIS 62 -6.961 -9.344 -1.110 495 HB3 HIS 62 HB2 HIS 62 -8.094 -10.090 -2.211 496 HD1 HIS 62 HD1 HIS 62 -8.299 -9.179 -4.594 497 HD2 HIS 62 HD2 HIS 62 -6.262 -6.653 -1.939 498 HE1 HIS 62 HE1 HIS 62 -7.277 -7.339 -6.030 499 H ALA 63 H ALA 63 -9.386 -9.743 1.309 500 HA ALA 63 HA ALA 63 -11.816 -11.103 0.398 501 HB1 ALA 63 HB1 ALA 63 -9.393 -12.623 1.423 502 HB2 ALA 63 HB2 ALA 63 -11.013 -13.314 1.129 503 HB3 ALA 63 HB3 ALA 63 -10.058 -12.673 -0.217 Start of MODEL 3 1 H1 GLY -1 H GLY -1 -2.710 -14.718 -4.180 2 HA2 GLY -1 HA1 GLY -1 -0.496 -16.317 -5.309 3 HA3 GLY -1 HA2 GLY -1 -1.433 -15.107 -6.213 4 HA PRO 0 HA PRO 0 2.023 -13.181 -3.410 5 HB2 PRO 0 HB1 PRO 0 4.400 -13.564 -4.737 6 HB3 PRO 0 HB2 PRO 0 3.762 -14.712 -3.521 7 HG2 PRO 0 HG1 PRO 0 3.510 -14.879 -6.533 8 HG3 PRO 0 HG2 PRO 0 4.022 -16.152 -5.373 9 HD2 PRO 0 HD1 PRO 0 1.467 -15.988 -6.312 10 HD3 PRO 0 HD2 PRO 0 1.805 -16.488 -4.625 11 H MET 1 H MET 1 3.382 -11.237 -4.083 12 HA MET 1 HA MET 1 2.965 -10.215 -6.786 13 HB2 MET 1 HB1 MET 1 1.711 -8.958 -4.296 14 HB3 MET 1 HB2 MET 1 2.149 -8.011 -5.719 15 HG2 MET 1 HG1 MET 1 0.765 -9.673 -7.092 16 HG3 MET 1 HG2 MET 1 0.050 -10.159 -5.551 17 HE1 MET 1 HE1 MET 1 -1.252 -8.431 -3.954 18 HE2 MET 1 HE2 MET 1 0.063 -7.234 -4.003 19 HE3 MET 1 HE3 MET 1 -1.601 -6.745 -4.397 20 H ASN 2 H ASN 2 4.168 -8.348 -7.151 21 HA ASN 2 HA ASN 2 6.670 -8.095 -5.576 22 HB2 ASN 2 HB1 ASN 2 6.880 -8.832 -7.884 23 HB3 ASN 2 HB2 ASN 2 5.857 -7.511 -8.461 24 HD21 ASN 2 HD22 ASN 2 7.027 -5.788 -9.330 25 HD22 ASN 2 HD21 ASN 2 8.613 -5.329 -8.720 26 H ILE 3 H ILE 3 7.537 -5.759 -5.566 27 HA ILE 3 HA ILE 3 5.885 -3.980 -4.262 28 HB ILE 3 HB ILE 3 8.292 -3.403 -6.031 29 HG12 ILE 3 HG11 ILE 3 7.927 -3.990 -3.073 30 HG13 ILE 3 HG12 ILE 3 8.864 -4.902 -4.252 31 HG21 ILE 3 HG21 ILE 3 7.099 -1.550 -3.935 32 HG22 ILE 3 HG22 ILE 3 8.514 -1.262 -4.959 33 HG23 ILE 3 HG23 ILE 3 6.951 -1.306 -5.687 34 HD11 ILE 3 HD11 ILE 3 10.454 -2.972 -4.428 35 HD12 ILE 3 HD12 ILE 3 9.542 -2.171 -3.117 36 HD13 ILE 3 HD13 ILE 3 10.363 -3.688 -2.806 37 H SER 4 H SER 4 6.635 -3.807 -7.797 38 HA SER 4 HA SER 4 5.154 -1.559 -8.392 39 HB2 SER 4 HB1 SER 4 5.425 -3.910 -10.257 40 HB3 SER 4 HB2 SER 4 5.502 -2.182 -10.630 41 HG SER 4 HG SER 4 7.576 -2.927 -10.661 42 H ASP 5 H ASP 5 4.034 -4.926 -8.058 43 HA ASP 5 HA ASP 5 1.412 -4.467 -9.184 44 HB2 ASP 5 HB1 ASP 5 2.598 -6.805 -7.623 45 HB3 ASP 5 HB2 ASP 5 1.085 -6.809 -8.528 46 H ILE 6 H ILE 6 2.816 -5.001 -5.932 47 HA ILE 6 HA ILE 6 0.501 -4.844 -4.363 48 HB ILE 6 HB ILE 6 3.363 -3.943 -3.815 49 HG12 ILE 6 HG11 ILE 6 1.890 -6.317 -2.641 50 HG13 ILE 6 HG12 ILE 6 2.747 -6.449 -4.159 51 HG21 ILE 6 HG21 ILE 6 2.847 -3.886 -1.399 52 HG22 ILE 6 HG22 ILE 6 1.883 -2.689 -2.247 53 HG23 ILE 6 HG23 ILE 6 1.141 -4.220 -1.749 54 HD11 ILE 6 HD11 ILE 6 4.864 -5.750 -3.044 55 HD12 ILE 6 HD12 ILE 6 4.013 -5.769 -1.482 56 HD13 ILE 6 HD13 ILE 6 4.188 -7.262 -2.422 57 H ARG 7 H ARG 7 2.692 -2.149 -5.332 58 HA ARG 7 HA ARG 7 1.006 -0.160 -4.165 59 HB2 ARG 7 HB1 ARG 7 2.333 1.475 -5.205 60 HB3 ARG 7 HB2 ARG 7 3.417 0.189 -4.701 61 HG2 ARG 7 HG1 ARG 7 3.457 -0.625 -7.066 62 HG3 ARG 7 HG2 ARG 7 2.475 0.776 -7.538 63 HD2 ARG 7 HD1 ARG 7 4.264 2.279 -6.640 64 HD3 ARG 7 HD2 ARG 7 5.226 0.863 -6.218 65 HE ARG 7 HE ARG 7 5.835 0.600 -8.393 66 HH11 ARG 7 HH11 ARG 7 3.683 3.410 -8.265 67 HH12 ARG 7 HH12 ARG 7 3.580 3.546 -9.989 68 HH21 ARG 7 HH21 ARG 7 6.201 1.269 -10.452 69 HH22 ARG 7 HH22 ARG 7 5.256 2.492 -11.229 70 H ALA 8 H ALA 8 0.805 -1.684 -7.372 71 HA ALA 8 HA ALA 8 -0.788 0.349 -8.566 72 HB1 ALA 8 HB1 ALA 8 -1.370 -1.396 -10.203 73 HB2 ALA 8 HB2 ALA 8 0.376 -1.390 -9.866 74 HB3 ALA 8 HB3 ALA 8 -0.675 -2.643 -9.163 75 H GLY 9 H GLY 9 -1.709 -2.652 -6.782 76 HA2 GLY 9 HA1 GLY 9 -4.491 -2.453 -7.122 77 HA3 GLY 9 HA2 GLY 9 -3.686 -3.230 -5.745 78 H LEU 10 H LEU 10 -2.396 -0.984 -4.649 79 HA LEU 10 HA LEU 10 -4.469 0.135 -3.072 80 HB2 LEU 10 HB1 LEU 10 -1.793 1.404 -3.672 81 HB3 LEU 10 HB2 LEU 10 -2.770 1.719 -2.232 82 HG LEU 10 HG LEU 10 -1.269 -0.828 -2.883 83 HD11 LEU 10 HD11 LEU 10 0.118 1.037 -2.140 84 HD12 LEU 10 HD12 LEU 10 0.057 -0.268 -0.944 85 HD13 LEU 10 HD13 LEU 10 -0.900 1.210 -0.676 86 HD21 LEU 10 HD21 LEU 10 -3.063 -0.212 -0.513 87 HD22 LEU 10 HD22 LEU 10 -1.963 -1.611 -0.630 88 HD23 LEU 10 HD23 LEU 10 -3.310 -1.463 -1.760 89 H ARG 11 H ARG 11 -3.016 1.343 -6.056 90 HA ARG 11 HA ARG 11 -4.124 4.020 -5.826 91 HB2 ARG 11 HB1 ARG 11 -3.368 2.475 -8.353 92 HB3 ARG 11 HB2 ARG 11 -3.749 4.200 -8.252 93 HG2 ARG 11 HG1 ARG 11 -1.853 4.560 -6.735 94 HG3 ARG 11 HG2 ARG 11 -1.526 2.815 -6.757 95 HD2 ARG 11 HD1 ARG 11 0.056 3.740 -8.232 96 HD3 ARG 11 HD2 ARG 11 -1.170 2.965 -9.239 97 HE ARG 11 HE ARG 11 -1.991 5.627 -9.009 98 HH11 ARG 11 HH11 ARG 11 0.853 3.883 -10.222 99 HH12 ARG 11 HH12 ARG 11 1.252 5.086 -11.412 100 HH21 ARG 11 HH21 ARG 11 -1.570 7.112 -10.783 101 HH22 ARG 11 HH22 ARG 11 -0.244 6.787 -11.848 102 H THR 12 H THR 12 -5.044 0.969 -7.385 103 HA THR 12 HA THR 12 -7.421 1.839 -8.592 104 HB THR 12 HB THR 12 -6.929 -0.929 -7.414 105 HG1 THR 12 HG1 THR 12 -5.838 -1.280 -9.376 106 HG21 THR 12 HG21 THR 12 -8.316 -1.662 -9.329 107 HG22 THR 12 HG22 THR 12 -8.567 0.037 -9.807 108 HG23 THR 12 HG23 THR 12 -9.225 -0.567 -8.266 109 H LEU 13 H LEU 13 -6.910 0.691 -5.261 110 HA LEU 13 HA LEU 13 -9.639 0.844 -4.497 111 HB2 LEU 13 HB1 LEU 13 -7.156 1.077 -2.783 112 HB3 LEU 13 HB2 LEU 13 -8.805 0.841 -2.176 113 HG LEU 13 HG LEU 13 -7.425 -1.078 -4.023 114 HD11 LEU 13 HD11 LEU 13 -6.223 -0.969 -1.920 115 HD12 LEU 13 HD12 LEU 13 -7.026 -2.530 -2.147 116 HD13 LEU 13 HD13 LEU 13 -7.745 -1.338 -1.042 117 HD21 LEU 13 HD21 LEU 13 -9.190 -2.680 -3.224 118 HD22 LEU 13 HD22 LEU 13 -9.849 -1.332 -4.145 119 HD23 LEU 13 HD23 LEU 13 -9.973 -1.341 -2.367 120 H VAL 14 H VAL 14 -7.024 3.319 -4.051 121 HA VAL 14 HA VAL 14 -8.970 5.199 -2.915 122 HB VAL 14 HB VAL 14 -7.285 6.934 -3.118 123 HG11 VAL 14 HG11 VAL 14 -7.293 5.418 -1.188 124 HG12 VAL 14 HG12 VAL 14 -6.163 4.327 -2.014 125 HG13 VAL 14 HG13 VAL 14 -5.660 5.980 -1.563 126 HG21 VAL 14 HG21 VAL 14 -5.481 4.860 -4.399 127 HG22 VAL 14 HG22 VAL 14 -6.162 6.258 -5.234 128 HG23 VAL 14 HG23 VAL 14 -5.021 6.505 -3.909 129 H GLU 15 H GLU 15 -7.975 4.532 -6.223 130 HA GLU 15 HA GLU 15 -8.983 6.900 -7.469 131 HB2 GLU 15 HB1 GLU 15 -8.385 4.081 -8.399 132 HB3 GLU 15 HB2 GLU 15 -8.946 5.308 -9.491 133 HG2 GLU 15 HG1 GLU 15 -6.568 6.011 -7.745 134 HG3 GLU 15 HG2 GLU 15 -6.311 4.766 -8.951 135 H ASN 16 H ASN 16 -10.501 4.026 -6.324 136 HA ASN 16 HA ASN 16 -13.110 4.777 -7.598 137 HB2 ASN 16 HB1 ASN 16 -12.080 2.050 -6.750 138 HB3 ASN 16 HB2 ASN 16 -13.744 2.384 -7.237 139 HD21 ASN 16 HD22 ASN 16 -10.456 1.989 -8.338 140 HD22 ASN 16 HD21 ASN 16 -10.818 2.001 -10.067 141 H GLU 17 H GLU 17 -11.625 5.516 -4.949 142 HA GLU 17 HA GLU 17 -12.079 6.132 -2.876 143 HB2 GLU 17 HB1 GLU 17 -14.996 5.960 -3.642 144 HB3 GLU 17 HB2 GLU 17 -14.276 6.932 -2.344 145 HG2 GLU 17 HG1 GLU 17 -12.967 8.161 -4.141 146 HG3 GLU 17 HG2 GLU 17 -13.976 7.343 -5.340 147 H GLU 18 H GLU 18 -12.148 3.178 -3.563 148 HA GLU 18 HA GLU 18 -13.786 1.715 -1.777 149 HB2 GLU 18 HB1 GLU 18 -11.016 0.948 -2.642 150 HB3 GLU 18 HB2 GLU 18 -12.329 -0.133 -2.243 151 HG2 GLU 18 HG1 GLU 18 -12.455 1.721 -4.661 152 HG3 GLU 18 HG2 GLU 18 -11.598 0.205 -4.695 153 H THR 19 H THR 19 -10.928 3.647 -1.339 154 HA THR 19 HA THR 19 -10.848 3.324 1.504 155 HB THR 19 HB THR 19 -9.536 1.338 0.500 156 HG1 THR 19 HG1 THR 19 -9.109 1.593 2.498 157 HG21 THR 19 HG21 THR 19 -7.375 1.613 -0.385 158 HG22 THR 19 HG22 THR 19 -7.305 3.331 0.087 159 HG23 THR 19 HG23 THR 19 -8.342 2.808 -1.248 160 H THR 20 H THR 20 -8.771 4.720 2.232 161 HA THR 20 HA THR 20 -8.316 7.072 0.466 162 HB THR 20 HB THR 20 -9.300 7.084 3.363 163 HG1 THR 20 HG1 THR 20 -11.103 6.944 2.409 164 HG21 THR 20 HG21 THR 20 -7.844 9.030 2.984 165 HG22 THR 20 HG22 THR 20 -9.538 9.518 3.105 166 HG23 THR 20 HG23 THR 20 -8.760 9.412 1.511 167 H PHE 21 H PHE 21 -6.227 8.136 1.028 168 HA PHE 21 HA PHE 21 -4.200 6.454 1.961 169 HB2 PHE 21 HB1 PHE 21 -4.314 9.494 1.986 170 HB3 PHE 21 HB2 PHE 21 -2.864 8.564 2.326 171 HD1 PHE 21 HD2 PHE 21 -2.317 6.650 0.478 172 HD2 PHE 21 HD1 PHE 21 -4.516 10.292 -0.240 173 HE1 PHE 21 HE2 PHE 21 -1.785 6.504 -1.940 174 HE2 PHE 21 HE1 PHE 21 -3.988 10.130 -2.655 175 HZ PHE 21 HZ PHE 21 -2.613 8.235 -3.509 176 H LYS 22 H LYS 22 -6.151 8.716 3.880 177 HA LYS 22 HA LYS 22 -4.768 8.471 6.360 178 HB2 LYS 22 HB1 LYS 22 -7.752 8.892 5.881 179 HB3 LYS 22 HB2 LYS 22 -6.895 9.280 7.361 180 HG2 LYS 22 HG1 LYS 22 -6.491 10.606 4.651 181 HG3 LYS 22 HG2 LYS 22 -7.418 11.275 5.969 182 HD2 LYS 22 HD1 LYS 22 -4.436 10.705 6.070 183 HD3 LYS 22 HD2 LYS 22 -5.140 12.279 5.734 184 HE2 LYS 22 HE1 LYS 22 -5.588 10.746 8.327 185 HE3 LYS 22 HE2 LYS 22 -4.318 11.946 8.087 186 HZ1 LYS 22 HZ1 LYS 22 -7.229 12.469 7.970 187 HZ2 LYS 22 HZ2 LYS 22 -6.093 13.577 7.589 188 HZ3 LYS 22 HZ3 LYS 22 -6.170 12.982 9.107 189 H GLN 23 H GLN 23 -7.490 6.602 5.001 190 HA GLN 23 HA GLN 23 -7.957 4.915 7.221 191 HB2 GLN 23 HB1 GLN 23 -9.437 5.365 5.166 192 HB3 GLN 23 HB2 GLN 23 -8.401 4.259 4.276 193 HG2 GLN 23 HG1 GLN 23 -9.802 2.644 4.911 194 HG3 GLN 23 HG2 GLN 23 -9.051 2.732 6.509 195 HE21 GLN 23 HE22 GLN 23 -10.482 3.144 8.218 196 HE22 GLN 23 HE21 GLN 23 -12.102 3.770 7.960 197 H ILE 24 H ILE 24 -6.046 4.382 4.194 198 HA ILE 24 HA ILE 24 -5.072 1.837 4.847 199 HB ILE 24 HB ILE 24 -3.518 3.986 3.330 200 HG12 ILE 24 HG11 ILE 24 -5.291 1.866 2.068 201 HG13 ILE 24 HG12 ILE 24 -5.832 3.503 2.333 202 HG21 ILE 24 HG21 ILE 24 -2.142 2.022 4.003 203 HG22 ILE 24 HG22 ILE 24 -3.387 0.941 3.367 204 HG23 ILE 24 HG23 ILE 24 -2.411 1.958 2.274 205 HD11 ILE 24 HD11 ILE 24 -5.069 3.313 0.053 206 HD12 ILE 24 HD12 ILE 24 -3.911 4.330 0.923 207 HD13 ILE 24 HD13 ILE 24 -3.529 2.631 0.540 208 H ALA 25 H ALA 25 -3.653 5.067 5.614 209 HA ALA 25 HA ALA 25 -1.345 4.117 6.949 210 HB1 ALA 25 HB1 ALA 25 -1.763 6.437 6.092 211 HB2 ALA 25 HB2 ALA 25 -2.861 6.704 7.465 212 HB3 ALA 25 HB3 ALA 25 -1.137 6.372 7.736 213 H LEU 26 H LEU 26 -4.609 4.852 8.278 214 HA LEU 26 HA LEU 26 -3.817 4.400 10.987 215 HB2 LEU 26 HB1 LEU 26 -5.962 5.540 10.275 216 HB3 LEU 26 HB2 LEU 26 -6.565 3.982 9.724 217 HG LEU 26 HG LEU 26 -6.370 3.088 12.066 218 HD11 LEU 26 HD11 LEU 26 -6.120 4.728 13.935 219 HD12 LEU 26 HD12 LEU 26 -5.656 5.980 12.760 220 HD13 LEU 26 HD13 LEU 26 -4.632 4.547 13.013 221 HD21 LEU 26 HD21 LEU 26 -8.025 5.623 11.760 222 HD22 LEU 26 HD22 LEU 26 -8.297 4.331 12.952 223 HD23 LEU 26 HD23 LEU 26 -8.477 3.993 11.226 224 H GLU 27 H GLU 27 -5.383 2.192 8.603 225 HA GLU 27 HA GLU 27 -5.469 -0.086 10.289 226 HB2 GLU 27 HB1 GLU 27 -5.302 0.215 7.268 227 HB3 GLU 27 HB2 GLU 27 -5.583 -1.314 8.099 228 HG2 GLU 27 HG1 GLU 27 -7.416 1.112 8.305 229 HG3 GLU 27 HG2 GLU 27 -7.637 -0.247 7.201 230 H SER 28 H SER 28 -2.907 0.836 7.862 231 HA SER 28 HA SER 28 -1.318 -1.505 8.331 232 HB2 SER 28 HB1 SER 28 0.238 -0.340 6.855 233 HB3 SER 28 HB2 SER 28 -1.416 -0.238 6.210 234 HG SER 28 HG SER 28 -1.590 1.803 6.793 235 H GLY 29 H GLY 29 -1.614 1.595 9.931 236 HA2 GLY 29 HA1 GLY 29 -0.545 2.454 11.740 237 HA3 GLY 29 HA2 GLY 29 0.417 0.977 11.895 238 H LEU 30 H LEU 30 0.546 2.161 8.688 239 HA LEU 30 HA LEU 30 3.332 3.093 8.985 240 HB2 LEU 30 HB1 LEU 30 1.547 2.831 6.525 241 HB3 LEU 30 HB2 LEU 30 3.239 3.246 6.490 242 HG LEU 30 HG LEU 30 2.215 0.560 7.489 243 HD11 LEU 30 HD11 LEU 30 3.044 -0.341 5.299 244 HD12 LEU 30 HD12 LEU 30 3.353 1.324 4.759 245 HD13 LEU 30 HD13 LEU 30 1.697 0.783 5.102 246 HD21 LEU 30 HD21 LEU 30 4.403 1.114 8.406 247 HD22 LEU 30 HD22 LEU 30 5.016 1.553 6.792 248 HD23 LEU 30 HD23 LEU 30 4.591 -0.128 7.171 249 H SER 31 H SER 31 3.819 5.206 7.749 250 HA SER 31 HA SER 31 1.945 7.247 8.715 251 HB2 SER 31 HB1 SER 31 4.613 7.458 7.264 252 HB3 SER 31 HB2 SER 31 3.734 8.791 8.048 253 HG SER 31 HG SER 31 3.916 7.677 10.031 254 H THR 32 H THR 32 0.911 8.803 7.341 255 HA THR 32 HA THR 32 -0.227 7.877 4.958 256 HB THR 32 HB THR 32 -0.782 10.387 4.743 257 HG1 THR 32 HG1 THR 32 0.275 11.685 5.966 258 HG21 THR 32 HG21 THR 32 -2.311 8.855 5.915 259 HG22 THR 32 HG22 THR 32 -2.230 10.410 6.761 260 HG23 THR 32 HG23 THR 32 -1.360 9.011 7.414 261 H GLY 33 H GLY 33 2.761 9.739 5.534 262 HA2 GLY 33 HA1 GLY 33 3.191 10.485 2.806 263 HA3 GLY 33 HA2 GLY 33 4.367 10.506 4.107 264 H THR 34 H THR 34 4.234 7.671 4.845 265 HA THR 34 HA THR 34 6.082 6.575 3.023 266 HB THR 34 HB THR 34 4.303 5.277 5.139 267 HG1 THR 34 HG1 THR 34 6.453 5.244 6.161 268 HG21 THR 34 HG21 THR 34 4.897 3.491 3.688 269 HG22 THR 34 HG22 THR 34 6.029 3.406 5.043 270 HG23 THR 34 HG23 THR 34 6.538 4.094 3.475 271 H ILE 35 H ILE 35 2.598 5.797 3.441 272 HA ILE 35 HA ILE 35 2.454 3.893 1.415 273 HB ILE 35 HB ILE 35 0.404 5.852 2.497 274 HG12 ILE 35 HG11 ILE 35 0.485 2.869 3.014 275 HG13 ILE 35 HG12 ILE 35 1.638 3.867 3.875 276 HG21 ILE 35 HG21 ILE 35 -0.149 3.372 0.799 277 HG22 ILE 35 HG22 ILE 35 -1.367 4.377 1.596 278 HG23 ILE 35 HG23 ILE 35 -0.403 5.045 0.274 279 HD11 ILE 35 HD11 ILE 35 -0.422 3.476 5.140 280 HD12 ILE 35 HD12 ILE 35 -0.070 5.201 4.890 281 HD13 ILE 35 HD13 ILE 35 -1.341 4.408 3.937 282 H SER 36 H SER 36 1.876 7.414 1.150 283 HA SER 36 HA SER 36 1.390 7.340 -1.663 284 HB2 SER 36 HB1 SER 36 1.924 9.845 -1.489 285 HB3 SER 36 HB2 SER 36 0.550 9.189 -0.588 286 HG SER 36 HG SER 36 1.677 9.306 1.297 287 H SER 37 H SER 37 4.391 7.869 0.180 288 HA SER 37 HA SER 37 6.113 8.542 -1.971 289 HB2 SER 37 HB1 SER 37 6.552 8.767 0.531 290 HB3 SER 37 HB2 SER 37 6.899 7.028 0.560 291 HG SER 37 HG SER 37 8.847 8.037 0.263 292 H PHE 38 H PHE 38 5.345 5.364 -0.483 293 HA PHE 38 HA PHE 38 7.055 3.730 -2.008 294 HB2 PHE 38 HB1 PHE 38 5.940 3.061 0.050 295 HB3 PHE 38 HB2 PHE 38 4.358 3.219 -0.686 296 HD1 PHE 38 HD1 PHE 38 7.442 1.149 -0.537 297 HD2 PHE 38 HD2 PHE 38 3.440 1.479 -2.117 298 HE1 PHE 38 HE1 PHE 38 7.459 -1.261 -1.097 299 HE2 PHE 38 HE2 PHE 38 3.477 -0.932 -2.695 300 HZ PHE 38 HZ PHE 38 5.458 -2.299 -2.195 301 H ILE 39 H ILE 39 3.617 4.662 -2.594 302 HA ILE 39 HA ILE 39 3.430 3.216 -5.033 303 HB ILE 39 HB ILE 39 1.813 5.608 -4.102 304 HG12 ILE 39 HG11 ILE 39 0.898 2.699 -3.964 305 HG13 ILE 39 HG12 ILE 39 1.831 3.395 -2.663 306 HG21 ILE 39 HG21 ILE 39 1.558 5.119 -6.565 307 HG22 ILE 39 HG22 ILE 39 1.072 3.464 -6.158 308 HG23 ILE 39 HG23 ILE 39 0.088 4.862 -5.655 309 HD11 ILE 39 HD11 ILE 39 -0.860 4.405 -3.652 310 HD12 ILE 39 HD12 ILE 39 -0.521 3.568 -2.129 311 HD13 ILE 39 HD13 ILE 39 0.126 5.199 -2.401 312 H ASN 40 H ASN 40 4.501 6.502 -4.302 313 HA ASN 40 HA ASN 40 4.762 7.265 -7.108 314 HB2 ASN 40 HB1 ASN 40 5.462 8.656 -4.483 315 HB3 ASN 40 HB2 ASN 40 5.759 9.369 -6.073 316 HD21 ASN 40 HD22 ASN 40 3.869 10.532 -4.039 317 HD22 ASN 40 HD21 ASN 40 2.330 10.443 -4.833 318 H ASP 41 H ASP 41 6.552 5.069 -5.605 319 HA ASP 41 HA ASP 41 8.660 4.281 -5.723 320 HB2 ASP 41 HB1 ASP 41 8.706 5.886 -8.304 321 HB3 ASP 41 HB2 ASP 41 9.901 4.689 -7.831 322 H LYS 42 H LYS 42 8.341 6.644 -4.098 323 HA LYS 42 HA LYS 42 11.070 7.847 -4.317 324 HB2 LYS 42 HB1 LYS 42 8.416 9.079 -3.554 325 HB3 LYS 42 HB2 LYS 42 9.925 9.825 -3.039 326 HG2 LYS 42 HG1 LYS 42 9.332 9.146 -5.937 327 HG3 LYS 42 HG2 LYS 42 8.962 10.711 -5.198 328 HD2 LYS 42 HD1 LYS 42 11.364 11.069 -4.723 329 HD3 LYS 42 HD2 LYS 42 11.767 9.483 -5.354 330 HE2 LYS 42 HE1 LYS 42 12.274 11.212 -6.965 331 HE3 LYS 42 HE2 LYS 42 11.080 10.070 -7.595 332 HZ1 LYS 42 HZ1 LYS 42 10.265 12.608 -6.354 333 HZ2 LYS 42 HZ2 LYS 42 9.414 11.644 -7.416 334 HZ3 LYS 42 HZ3 LYS 42 10.723 12.532 -7.932 335 H TYR 43 H TYR 43 9.602 5.563 -2.565 336 HA TYR 43 HA TYR 43 10.400 6.428 0.081 337 HB2 TYR 43 HB1 TYR 43 8.539 4.829 -0.433 338 HB3 TYR 43 HB2 TYR 43 9.730 3.624 -0.886 339 HD1 TYR 43 HD1 TYR 43 8.318 5.666 1.866 340 HD2 TYR 43 HD2 TYR 43 11.091 2.505 0.872 341 HE1 TYR 43 HE1 TYR 43 8.584 5.122 4.270 342 HE2 TYR 43 HE2 TYR 43 11.328 1.983 3.287 343 HH TYR 43 HH TYR 43 10.627 2.488 5.432 344 H ASN 44 H ASN 44 12.566 7.081 -0.192 345 HA ASN 44 HA ASN 44 14.581 5.208 -1.215 346 HB2 ASN 44 HB1 ASN 44 14.552 7.767 -1.480 347 HB3 ASN 44 HB2 ASN 44 15.140 7.856 0.178 348 HD21 ASN 44 HD22 ASN 44 17.260 6.605 0.603 349 HD22 ASN 44 HD21 ASN 44 18.381 6.477 -0.757 350 H GLY 45 H GLY 45 13.557 3.703 0.575 351 HA2 GLY 45 HA1 GLY 45 15.477 3.513 2.797 352 HA3 GLY 45 HA2 GLY 45 13.765 3.702 3.218 353 H ASP 46 H ASP 46 13.610 1.598 4.098 354 HA ASP 46 HA ASP 46 14.321 -0.783 2.494 355 HB2 ASP 46 HB1 ASP 46 12.960 -0.596 5.195 356 HB3 ASP 46 HB2 ASP 46 13.397 -2.082 4.370 357 H ASN 47 H ASN 47 12.974 -0.399 0.713 358 HA ASN 47 HA ASN 47 10.180 0.123 0.731 359 HB2 ASN 47 HB1 ASN 47 11.682 -1.522 -1.360 360 HB3 ASN 47 HB2 ASN 47 10.164 -0.641 -1.563 361 HD21 ASN 47 HD22 ASN 47 10.276 1.677 -2.149 362 HD22 ASN 47 HD21 ASN 47 11.824 2.497 -2.038 363 H GLU 48 H GLU 48 12.088 -2.828 0.935 364 HA GLU 48 HA GLU 48 10.227 -4.862 0.647 365 HB2 GLU 48 HB1 GLU 48 11.797 -6.129 2.119 366 HB3 GLU 48 HB2 GLU 48 12.537 -5.358 0.713 367 HG2 GLU 48 HG1 GLU 48 13.449 -3.557 2.116 368 HG3 GLU 48 HG2 GLU 48 12.663 -4.245 3.543 369 H ARG 49 H ARG 49 10.874 -2.877 3.481 370 HA ARG 49 HA ARG 49 9.297 -4.510 5.316 371 HB2 ARG 49 HB1 ARG 49 11.206 -2.964 5.973 372 HB3 ARG 49 HB2 ARG 49 10.136 -1.604 5.606 373 HG2 ARG 49 HG1 ARG 49 8.540 -2.415 7.347 374 HG3 ARG 49 HG2 ARG 49 9.648 -3.729 7.737 375 HD2 ARG 49 HD1 ARG 49 10.228 -0.743 8.001 376 HD3 ARG 49 HD2 ARG 49 9.802 -1.835 9.316 377 HE ARG 49 HE ARG 49 12.127 -2.852 8.011 378 HH11 ARG 49 HH11 ARG 49 11.170 -0.145 10.168 379 HH12 ARG 49 HH12 ARG 49 12.809 0.100 10.718 380 HH21 ARG 49 HH21 ARG 49 14.207 -2.468 8.825 381 HH22 ARG 49 HH22 ARG 49 14.493 -1.265 10.056 382 H VAL 50 H VAL 50 8.765 -1.590 3.388 383 HA VAL 50 HA VAL 50 6.108 -1.103 4.349 384 HB VAL 50 HB VAL 50 7.551 -0.156 1.837 385 HG11 VAL 50 HG11 VAL 50 5.005 0.839 3.186 386 HG12 VAL 50 HG12 VAL 50 5.910 1.749 1.956 387 HG13 VAL 50 HG13 VAL 50 5.193 0.198 1.541 388 HG21 VAL 50 HG21 VAL 50 8.753 0.543 3.851 389 HG22 VAL 50 HG22 VAL 50 7.903 1.920 3.161 390 HG23 VAL 50 HG23 VAL 50 7.243 1.110 4.599 391 H SER 51 H SER 51 7.326 -2.670 1.261 392 HA SER 51 HA SER 51 4.860 -3.287 0.172 393 HB2 SER 51 HB1 SER 51 6.119 -5.158 -0.970 394 HB3 SER 51 HB2 SER 51 6.869 -3.560 -1.094 395 HG SER 51 HG SER 51 8.328 -5.284 -0.569 396 H GLN 52 H GLN 52 6.783 -5.388 2.370 397 HA GLN 52 HA GLN 52 4.867 -7.467 2.502 398 HB2 GLN 52 HB1 GLN 52 7.039 -6.547 4.422 399 HB3 GLN 52 HB2 GLN 52 6.084 -7.998 4.690 400 HG2 GLN 52 HG1 GLN 52 7.769 -7.477 2.183 401 HG3 GLN 52 HG2 GLN 52 8.249 -8.469 3.557 402 HE21 GLN 52 HE22 GLN 52 6.569 -8.556 0.483 403 HE22 GLN 52 HE21 GLN 52 5.882 -10.152 0.750 404 H THR 53 H THR 53 4.941 -4.425 4.280 405 HA THR 53 HA THR 53 2.927 -5.292 6.220 406 HB THR 53 HB THR 53 3.831 -2.481 5.448 407 HG1 THR 53 HG1 THR 53 5.581 -3.525 6.214 408 HG21 THR 53 HG21 THR 53 2.332 -3.507 7.902 409 HG22 THR 53 HG22 THR 53 1.726 -2.340 6.715 410 HG23 THR 53 HG23 THR 53 3.054 -1.899 7.778 411 H LEU 54 H LEU 54 2.974 -3.415 3.137 412 HA LEU 54 HA LEU 54 0.179 -2.876 3.022 413 HB2 LEU 54 HB1 LEU 54 2.297 -3.126 0.892 414 HB3 LEU 54 HB2 LEU 54 0.666 -2.505 0.594 415 HG LEU 54 HG LEU 54 2.605 -1.280 2.623 416 HD11 LEU 54 HD11 LEU 54 3.627 -1.182 0.444 417 HD12 LEU 54 HD12 LEU 54 3.044 0.429 0.903 418 HD13 LEU 54 HD13 LEU 54 2.143 -0.539 -0.279 419 HD21 LEU 54 HD21 LEU 54 1.227 0.721 2.444 420 HD22 LEU 54 HD22 LEU 54 0.305 -0.648 3.074 421 HD23 LEU 54 HD23 LEU 54 0.093 -0.148 1.381 422 H GLN 55 H GLN 55 2.058 -5.718 2.052 423 HA GLN 55 HA GLN 55 0.037 -7.112 0.636 424 HB2 GLN 55 HB1 GLN 55 2.415 -8.026 2.310 425 HB3 GLN 55 HB2 GLN 55 1.374 -9.173 1.462 426 HG2 GLN 55 HG1 GLN 55 2.526 -6.863 -0.120 427 HG3 GLN 55 HG2 GLN 55 3.606 -8.176 0.365 428 HE21 GLN 55 HE22 GLN 55 3.324 -10.264 -0.848 429 HE22 GLN 55 HE21 GLN 55 2.011 -10.335 -2.082 430 H ARG 56 H ARG 56 0.826 -7.228 4.187 431 HA ARG 56 HA ARG 56 -1.169 -9.145 4.849 432 HB2 ARG 56 HB1 ARG 56 -0.122 -6.833 6.573 433 HB3 ARG 56 HB2 ARG 56 -1.111 -8.180 7.128 434 HG2 ARG 56 HG1 ARG 56 0.831 -9.624 5.987 435 HG3 ARG 56 HG2 ARG 56 1.778 -8.158 6.254 436 HD2 ARG 56 HD1 ARG 56 0.293 -9.740 8.390 437 HD3 ARG 56 HD2 ARG 56 2.014 -9.878 8.009 438 HE ARG 56 HE ARG 56 0.685 -7.395 8.961 439 HH11 ARG 56 HH11 ARG 56 3.225 -9.819 9.558 440 HH12 ARG 56 HH12 ARG 56 4.167 -8.795 10.596 441 HH21 ARG 56 HH21 ARG 56 1.907 -6.045 10.287 442 HH22 ARG 56 HH22 ARG 56 3.255 -6.652 11.190 443 H TRP 57 H TRP 57 -1.376 -5.651 4.584 444 HA TRP 57 HA TRP 57 -4.133 -5.465 5.449 445 HB2 TRP 57 HB1 TRP 57 -2.588 -3.615 5.561 446 HB3 TRP 57 HB2 TRP 57 -2.336 -3.652 3.818 447 HD1 TRP 57 HD1 TRP 57 -4.634 -2.294 6.450 448 HE1 TRP 57 HE1 TRP 57 -6.257 -0.571 5.338 449 HE3 TRP 57 HE3 TRP 57 -3.718 -3.344 1.607 450 HZ2 TRP 57 HZ2 TRP 57 -6.894 0.295 2.665 451 HZ3 TRP 57 HZ3 TRP 57 -4.824 -2.119 -0.234 452 HH2 TRP 57 HH2 TRP 57 -6.389 -0.234 0.317 453 H LEU 58 H LEU 58 -2.593 -5.612 2.164 454 HA LEU 58 HA LEU 58 -4.994 -5.457 0.687 455 HB2 LEU 58 HB1 LEU 58 -2.204 -6.391 0.148 456 HB3 LEU 58 HB2 LEU 58 -3.427 -6.958 -0.973 457 HG LEU 58 HG LEU 58 -3.245 -4.054 -0.250 458 HD11 LEU 58 HD11 LEU 58 -1.022 -4.721 -1.058 459 HD12 LEU 58 HD12 LEU 58 -1.831 -3.697 -2.265 460 HD13 LEU 58 HD13 LEU 58 -1.759 -5.456 -2.500 461 HD21 LEU 58 HD21 LEU 58 -4.438 -5.452 -2.619 462 HD22 LEU 58 HD22 LEU 58 -4.235 -3.699 -2.503 463 HD23 LEU 58 HD23 LEU 58 -5.277 -4.524 -1.349 464 H GLU 59 H GLU 59 -3.436 -8.262 2.172 465 HA GLU 59 HA GLU 59 -4.889 -10.345 0.935 466 HB2 GLU 59 HB1 GLU 59 -3.583 -9.931 3.638 467 HB3 GLU 59 HB2 GLU 59 -4.544 -11.362 3.381 468 HG2 GLU 59 HG1 GLU 59 -2.326 -10.636 1.451 469 HG3 GLU 59 HG2 GLU 59 -1.979 -11.447 2.984 470 H LYS 60 H LYS 60 -5.644 -8.461 3.918 471 HA LYS 60 HA LYS 60 -8.211 -9.818 4.194 472 HB2 LYS 60 HB1 LYS 60 -8.560 -8.359 6.117 473 HB3 LYS 60 HB2 LYS 60 -7.018 -9.215 6.181 474 HG2 LYS 60 HG1 LYS 60 -5.805 -7.212 5.567 475 HG3 LYS 60 HG2 LYS 60 -7.308 -6.298 5.370 476 HD2 LYS 60 HD1 LYS 60 -6.360 -7.542 7.994 477 HD3 LYS 60 HD2 LYS 60 -6.094 -5.868 7.482 478 HE2 LYS 60 HE1 LYS 60 -8.721 -5.890 7.113 479 HE3 LYS 60 HE2 LYS 60 -8.696 -7.231 8.260 480 HZ1 LYS 60 HZ1 LYS 60 -8.951 -4.929 9.220 481 HZ2 LYS 60 HZ2 LYS 60 -7.450 -4.588 8.721 482 HZ3 LYS 60 HZ3 LYS 60 -7.667 -5.753 9.871 483 H TYR 61 H TYR 61 -7.081 -6.769 2.806 484 HA TYR 61 HA TYR 61 -9.631 -5.533 2.673 485 HB2 TYR 61 HB1 TYR 61 -6.989 -4.875 1.822 486 HB3 TYR 61 HB2 TYR 61 -7.965 -4.821 0.389 487 HD1 TYR 61 HD2 TYR 61 -7.815 -3.725 3.955 488 HD2 TYR 61 HD1 TYR 61 -9.422 -2.887 0.041 489 HE1 TYR 61 HE2 TYR 61 -8.707 -1.612 4.798 490 HE2 TYR 61 HE1 TYR 61 -10.282 -0.720 0.843 491 HH TYR 61 HH TYR 61 -10.920 0.107 3.713 492 H HIS 62 H HIS 62 -7.794 -7.284 0.120 493 HA HIS 62 HA HIS 62 -10.010 -7.501 -1.670 494 HB2 HIS 62 HB1 HIS 62 -7.319 -8.830 -1.434 495 HB3 HIS 62 HB2 HIS 62 -8.483 -9.460 -2.575 496 HD1 HIS 62 HD1 HIS 62 -8.798 -8.216 -4.809 497 HD2 HIS 62 HD2 HIS 62 -6.726 -6.075 -1.847 498 HE1 HIS 62 HE1 HIS 62 -7.785 -6.185 -5.974 499 H ALA 63 H ALA 63 -9.605 -9.359 1.255 500 HA ALA 63 HA ALA 63 -11.650 -11.235 0.251 501 HB1 ALA 63 HB1 ALA 63 -9.478 -12.351 0.033 502 HB2 ALA 63 HB2 ALA 63 -9.144 -12.059 1.768 503 HB3 ALA 63 HB3 ALA 63 -10.467 -13.128 1.264 Start of MODEL 4 1 H1 GLY -1 H GLY -1 -1.183 -14.057 -6.327 2 HA2 GLY -1 HA1 GLY -1 0.356 -16.138 -4.867 3 HA3 GLY -1 HA2 GLY -1 0.778 -15.469 -6.475 4 HA PRO 0 HA PRO 0 2.937 -13.021 -3.049 5 HB2 PRO 0 HB1 PRO 0 5.529 -13.438 -3.797 6 HB3 PRO 0 HB2 PRO 0 4.619 -14.536 -2.710 7 HG2 PRO 0 HG1 PRO 0 5.123 -14.834 -5.670 8 HG3 PRO 0 HG2 PRO 0 5.243 -16.085 -4.391 9 HD2 PRO 0 HD1 PRO 0 3.036 -15.800 -6.010 10 HD3 PRO 0 HD2 PRO 0 2.915 -16.352 -4.320 11 H MET 1 H MET 1 2.350 -11.008 -3.783 12 HA MET 1 HA MET 1 2.950 -10.166 -6.548 13 HB2 MET 1 HB1 MET 1 1.458 -8.904 -4.209 14 HB3 MET 1 HB2 MET 1 1.787 -8.046 -5.732 15 HG2 MET 1 HG1 MET 1 0.455 -9.512 -7.011 16 HG3 MET 1 HG2 MET 1 0.454 -10.769 -5.783 17 HE1 MET 1 HE1 MET 1 -0.197 -7.025 -4.699 18 HE2 MET 1 HE2 MET 1 -0.730 -7.019 -6.402 19 HE3 MET 1 HE3 MET 1 -1.913 -6.831 -5.097 20 H ASN 2 H ASN 2 4.464 -8.632 -7.074 21 HA ASN 2 HA ASN 2 6.488 -8.035 -5.011 22 HB2 ASN 2 HB1 ASN 2 6.537 -7.596 -8.003 23 HB3 ASN 2 HB2 ASN 2 7.887 -7.351 -6.909 24 HD21 ASN 2 HD22 ASN 2 7.718 -9.741 -5.275 25 HD22 ASN 2 HD21 ASN 2 8.020 -11.083 -6.337 26 H ILE 3 H ILE 3 7.472 -5.762 -5.237 27 HA ILE 3 HA ILE 3 5.850 -3.880 -4.207 28 HB ILE 3 HB ILE 3 8.407 -3.663 -5.783 29 HG12 ILE 3 HG11 ILE 3 7.745 -3.077 -2.866 30 HG13 ILE 3 HG12 ILE 3 8.107 -4.705 -3.420 31 HG21 ILE 3 HG21 ILE 3 7.421 -1.478 -6.203 32 HG22 ILE 3 HG22 ILE 3 6.895 -1.325 -4.514 33 HG23 ILE 3 HG23 ILE 3 8.613 -1.280 -4.933 34 HD11 ILE 3 HD11 ILE 3 10.342 -3.993 -4.158 35 HD12 ILE 3 HD12 ILE 3 9.997 -2.350 -3.575 36 HD13 ILE 3 HD13 ILE 3 10.062 -3.694 -2.426 37 H SER 4 H SER 4 6.514 -3.864 -7.757 38 HA SER 4 HA SER 4 4.836 -1.661 -8.284 39 HB2 SER 4 HB1 SER 4 6.523 -2.408 -9.798 40 HB3 SER 4 HB2 SER 4 5.733 -3.956 -10.033 41 HG SER 4 HG SER 4 4.005 -2.841 -11.053 42 H ASP 5 H ASP 5 3.987 -5.208 -8.429 43 HA ASP 5 HA ASP 5 1.305 -4.772 -9.236 44 HB2 ASP 5 HB1 ASP 5 2.738 -7.032 -7.765 45 HB3 ASP 5 HB2 ASP 5 0.985 -7.066 -7.907 46 H ILE 6 H ILE 6 2.755 -4.827 -6.008 47 HA ILE 6 HA ILE 6 0.294 -4.757 -4.543 48 HB ILE 6 HB ILE 6 3.089 -3.771 -3.842 49 HG12 ILE 6 HG11 ILE 6 1.725 -6.262 -2.785 50 HG13 ILE 6 HG12 ILE 6 2.620 -6.312 -4.287 51 HG21 ILE 6 HG21 ILE 6 0.679 -4.154 -2.013 52 HG22 ILE 6 HG22 ILE 6 2.331 -3.837 -1.453 53 HG23 ILE 6 HG23 ILE 6 1.483 -2.617 -2.385 54 HD11 ILE 6 HD11 ILE 6 3.803 -5.434 -1.629 55 HD12 ILE 6 HD12 ILE 6 4.030 -6.997 -2.416 56 HD13 ILE 6 HD13 ILE 6 4.654 -5.521 -3.178 57 H ARG 7 H ARG 7 2.598 -2.025 -5.221 58 HA ARG 7 HA ARG 7 0.785 -0.055 -4.345 59 HB2 ARG 7 HB1 ARG 7 2.054 1.625 -5.488 60 HB3 ARG 7 HB2 ARG 7 3.089 0.533 -4.581 61 HG2 ARG 7 HG1 ARG 7 3.738 -0.603 -6.646 62 HG3 ARG 7 HG2 ARG 7 2.619 0.381 -7.587 63 HD2 ARG 7 HD1 ARG 7 3.872 2.414 -6.921 64 HD3 ARG 7 HD2 ARG 7 4.995 1.424 -5.972 65 HE ARG 7 HE ARG 7 6.035 0.742 -7.904 66 HH11 ARG 7 HH11 ARG 7 2.943 2.281 -8.858 67 HH12 ARG 7 HH12 ARG 7 3.327 2.288 -10.533 68 HH21 ARG 7 HH21 ARG 7 6.473 0.623 -10.003 69 HH22 ARG 7 HH22 ARG 7 5.341 1.125 -11.237 70 H ALA 8 H ALA 8 0.882 -1.677 -7.510 71 HA ALA 8 HA ALA 8 -0.719 0.282 -8.819 72 HB1 ALA 8 HB1 ALA 8 0.739 -1.217 -10.007 73 HB2 ALA 8 HB2 ALA 8 -0.172 -2.625 -9.445 74 HB3 ALA 8 HB3 ALA 8 -0.947 -1.434 -10.533 75 H GLY 9 H GLY 9 -1.678 -2.414 -6.544 76 HA2 GLY 9 HA1 GLY 9 -4.426 -2.326 -7.473 77 HA3 GLY 9 HA2 GLY 9 -3.762 -3.148 -6.049 78 H LEU 10 H LEU 10 -2.433 -1.009 -4.854 79 HA LEU 10 HA LEU 10 -4.359 0.182 -3.230 80 HB2 LEU 10 HB1 LEU 10 -1.720 1.538 -3.850 81 HB3 LEU 10 HB2 LEU 10 -2.656 1.632 -2.378 82 HG LEU 10 HG LEU 10 -1.253 -0.810 -3.386 83 HD11 LEU 10 HD11 LEU 10 -0.395 0.489 -0.865 84 HD12 LEU 10 HD12 LEU 10 0.176 1.116 -2.420 85 HD13 LEU 10 HD13 LEU 10 0.475 -0.576 -1.960 86 HD21 LEU 10 HD21 LEU 10 -1.802 -1.746 -1.085 87 HD22 LEU 10 HD22 LEU 10 -3.140 -1.591 -2.228 88 HD23 LEU 10 HD23 LEU 10 -2.965 -0.382 -0.979 89 H ARG 11 H ARG 11 -2.776 1.591 -6.141 90 HA ARG 11 HA ARG 11 -4.044 4.122 -5.824 91 HB2 ARG 11 HB1 ARG 11 -3.422 4.586 -8.086 92 HB3 ARG 11 HB2 ARG 11 -2.071 3.919 -7.182 93 HG2 ARG 11 HG1 ARG 11 -2.004 1.954 -8.362 94 HG3 ARG 11 HG2 ARG 11 -3.689 2.003 -8.863 95 HD2 ARG 11 HD1 ARG 11 -1.543 3.855 -9.908 96 HD3 ARG 11 HD2 ARG 11 -2.133 2.409 -10.729 97 HE ARG 11 HE ARG 11 -3.519 4.992 -10.403 98 HH11 ARG 11 HH11 ARG 11 -4.275 1.536 -10.940 99 HH12 ARG 11 HH12 ARG 11 -5.454 1.875 -12.148 100 HH21 ARG 11 HH21 ARG 11 -5.144 5.384 -11.982 101 HH22 ARG 11 HH22 ARG 11 -6.093 4.043 -12.565 102 H THR 12 H THR 12 -5.108 1.094 -7.467 103 HA THR 12 HA THR 12 -7.343 2.245 -8.742 104 HB THR 12 HB THR 12 -6.851 -0.606 -7.859 105 HG1 THR 12 HG1 THR 12 -5.511 -0.795 -9.507 106 HG21 THR 12 HG21 THR 12 -8.136 -1.188 -9.889 107 HG22 THR 12 HG22 THR 12 -8.328 0.537 -10.283 108 HG23 THR 12 HG23 THR 12 -9.112 -0.139 -8.844 109 H LEU 13 H LEU 13 -6.782 0.790 -5.511 110 HA LEU 13 HA LEU 13 -9.541 0.731 -4.735 111 HB2 LEU 13 HB1 LEU 13 -7.036 1.011 -3.045 112 HB3 LEU 13 HB2 LEU 13 -8.662 0.804 -2.376 113 HG LEU 13 HG LEU 13 -7.155 -1.178 -4.023 114 HD11 LEU 13 HD11 LEU 13 -7.016 -2.512 -2.035 115 HD12 LEU 13 HD12 LEU 13 -7.890 -1.271 -1.118 116 HD13 LEU 13 HD13 LEU 13 -6.275 -0.914 -1.811 117 HD21 LEU 13 HD21 LEU 13 -8.953 -2.784 -3.577 118 HD22 LEU 13 HD22 LEU 13 -9.680 -1.382 -4.357 119 HD23 LEU 13 HD23 LEU 13 -9.831 -1.587 -2.606 120 H VAL 14 H VAL 14 -6.998 3.304 -4.227 121 HA VAL 14 HA VAL 14 -8.969 5.026 -2.960 122 HB VAL 14 HB VAL 14 -7.396 6.872 -3.264 123 HG11 VAL 14 HG11 VAL 14 -6.147 4.348 -2.135 124 HG12 VAL 14 HG12 VAL 14 -5.669 6.016 -1.758 125 HG13 VAL 14 HG13 VAL 14 -7.282 5.441 -1.304 126 HG21 VAL 14 HG21 VAL 14 -6.281 6.213 -5.392 127 HG22 VAL 14 HG22 VAL 14 -5.143 6.562 -4.080 128 HG23 VAL 14 HG23 VAL 14 -5.495 4.882 -4.512 129 H GLU 15 H GLU 15 -8.007 4.582 -6.378 130 HA GLU 15 HA GLU 15 -9.451 6.783 -7.474 131 HB2 GLU 15 HB1 GLU 15 -8.554 4.070 -8.489 132 HB3 GLU 15 HB2 GLU 15 -9.495 5.101 -9.515 133 HG2 GLU 15 HG1 GLU 15 -7.010 6.261 -8.216 134 HG3 GLU 15 HG2 GLU 15 -6.797 5.052 -9.477 135 H ASN 16 H ASN 16 -10.585 3.681 -6.227 136 HA ASN 16 HA ASN 16 -13.287 4.090 -7.404 137 HB2 ASN 16 HB1 ASN 16 -11.811 1.650 -6.343 138 HB3 ASN 16 HB2 ASN 16 -13.557 1.665 -6.551 139 HD21 ASN 16 HD22 ASN 16 -10.563 2.310 -8.428 140 HD22 ASN 16 HD21 ASN 16 -11.242 1.770 -9.971 141 H GLU 17 H GLU 17 -11.728 5.167 -4.829 142 HA GLU 17 HA GLU 17 -12.131 5.809 -2.768 143 HB2 GLU 17 HB1 GLU 17 -15.072 5.416 -3.357 144 HB3 GLU 17 HB2 GLU 17 -14.325 6.498 -2.176 145 HG2 GLU 17 HG1 GLU 17 -13.181 7.666 -4.133 146 HG3 GLU 17 HG2 GLU 17 -14.272 6.758 -5.201 147 H GLU 18 H GLU 18 -12.200 2.754 -3.404 148 HA GLU 18 HA GLU 18 -13.635 1.366 -1.394 149 HB2 GLU 18 HB1 GLU 18 -10.903 0.664 -2.506 150 HB3 GLU 18 HB2 GLU 18 -12.050 -0.456 -1.806 151 HG2 GLU 18 HG1 GLU 18 -13.240 0.931 -4.132 152 HG3 GLU 18 HG2 GLU 18 -11.663 0.308 -4.515 153 H THR 19 H THR 19 -10.866 3.390 -1.178 154 HA THR 19 HA THR 19 -10.591 3.027 1.669 155 HB THR 19 HB THR 19 -9.158 1.191 0.606 156 HG1 THR 19 HG1 THR 19 -8.598 1.933 2.679 157 HG21 THR 19 HG21 THR 19 -7.175 1.701 -0.580 158 HG22 THR 19 HG22 THR 19 -7.278 3.420 -0.175 159 HG23 THR 19 HG23 THR 19 -8.404 2.721 -1.342 160 H THR 20 H THR 20 -8.502 4.553 2.189 161 HA THR 20 HA THR 20 -8.415 6.993 0.544 162 HB THR 20 HB THR 20 -9.162 6.983 3.508 163 HG1 THR 20 HG1 THR 20 -10.969 6.337 2.651 164 HG21 THR 20 HG21 THR 20 -9.173 9.214 1.462 165 HG22 THR 20 HG22 THR 20 -8.048 9.026 2.831 166 HG23 THR 20 HG23 THR 20 -9.777 9.341 3.123 167 H PHE 21 H PHE 21 -6.223 7.943 0.884 168 HA PHE 21 HA PHE 21 -4.207 6.268 1.800 169 HB2 PHE 21 HB1 PHE 21 -4.255 9.312 1.787 170 HB3 PHE 21 HB2 PHE 21 -2.826 8.364 2.090 171 HD1 PHE 21 HD2 PHE 21 -2.582 6.311 0.141 172 HD2 PHE 21 HD1 PHE 21 -4.254 10.265 -0.366 173 HE1 PHE 21 HE2 PHE 21 -2.003 6.264 -2.250 174 HE2 PHE 21 HE1 PHE 21 -3.696 10.171 -2.773 175 HZ PHE 21 HZ PHE 21 -2.494 8.191 -3.697 176 H LYS 22 H LYS 22 -5.935 8.698 3.722 177 HA LYS 22 HA LYS 22 -4.393 8.465 6.123 178 HB2 LYS 22 HB1 LYS 22 -5.974 10.283 5.536 179 HB3 LYS 22 HB2 LYS 22 -7.323 9.150 5.704 180 HG2 LYS 22 HG1 LYS 22 -6.719 8.882 8.148 181 HG3 LYS 22 HG2 LYS 22 -5.451 10.114 7.921 182 HD2 LYS 22 HD1 LYS 22 -7.133 11.716 7.116 183 HD3 LYS 22 HD2 LYS 22 -8.406 10.497 7.251 184 HE2 LYS 22 HE1 LYS 22 -8.197 10.441 9.661 185 HE3 LYS 22 HE2 LYS 22 -6.815 11.563 9.609 186 HZ1 LYS 22 HZ1 LYS 22 -8.240 13.246 8.720 187 HZ2 LYS 22 HZ2 LYS 22 -9.047 12.629 10.040 188 HZ3 LYS 22 HZ3 LYS 22 -9.491 12.199 8.543 189 H GLN 23 H GLN 23 -7.306 6.714 5.009 190 HA GLN 23 HA GLN 23 -7.727 5.175 7.337 191 HB2 GLN 23 HB1 GLN 23 -9.221 5.628 5.187 192 HB3 GLN 23 HB2 GLN 23 -8.410 4.213 4.538 193 HG2 GLN 23 HG1 GLN 23 -10.384 3.380 5.517 194 HG3 GLN 23 HG2 GLN 23 -9.110 2.991 6.669 195 HE21 GLN 23 HE22 GLN 23 -10.628 2.888 8.449 196 HE22 GLN 23 HE21 GLN 23 -11.364 4.358 9.101 197 H ILE 24 H ILE 24 -5.972 4.487 4.276 198 HA ILE 24 HA ILE 24 -5.113 1.880 4.871 199 HB ILE 24 HB ILE 24 -3.633 4.073 3.335 200 HG12 ILE 24 HG11 ILE 24 -5.327 1.831 2.172 201 HG13 ILE 24 HG12 ILE 24 -5.958 3.425 2.504 202 HG21 ILE 24 HG21 ILE 24 -2.117 2.195 3.982 203 HG22 ILE 24 HG22 ILE 24 -3.291 1.043 3.328 204 HG23 ILE 24 HG23 ILE 24 -2.432 2.195 2.278 205 HD11 ILE 24 HD11 ILE 24 -4.492 2.563 0.203 206 HD12 ILE 24 HD12 ILE 24 -5.281 4.124 0.508 207 HD13 ILE 24 HD13 ILE 24 -3.609 3.896 0.997 208 H ALA 25 H ALA 25 -3.501 5.050 5.538 209 HA ALA 25 HA ALA 25 -1.188 3.958 6.761 210 HB1 ALA 25 HB1 ALA 25 -2.539 6.602 7.461 211 HB2 ALA 25 HB2 ALA 25 -0.807 6.198 7.520 212 HB3 ALA 25 HB3 ALA 25 -1.613 6.354 5.963 213 H LEU 26 H LEU 26 -4.373 4.825 8.144 214 HA LEU 26 HA LEU 26 -3.650 4.374 10.847 215 HB2 LEU 26 HB1 LEU 26 -5.667 5.626 10.128 216 HB3 LEU 26 HB2 LEU 26 -6.358 4.144 9.474 217 HG LEU 26 HG LEU 26 -6.422 3.130 11.720 218 HD11 LEU 26 HD11 LEU 26 -4.560 4.233 12.853 219 HD12 LEU 26 HD12 LEU 26 -6.035 4.660 13.702 220 HD13 LEU 26 HD13 LEU 26 -5.296 5.829 12.579 221 HD21 LEU 26 HD21 LEU 26 -8.359 4.389 10.872 222 HD22 LEU 26 HD22 LEU 26 -7.729 5.873 11.617 223 HD23 LEU 26 HD23 LEU 26 -8.223 4.500 12.631 224 H GLU 27 H GLU 27 -5.293 2.201 8.493 225 HA GLU 27 HA GLU 27 -5.369 -0.043 10.234 226 HB2 GLU 27 HB1 GLU 27 -5.514 0.225 7.205 227 HB3 GLU 27 HB2 GLU 27 -5.747 -1.290 8.088 228 HG2 GLU 27 HG1 GLU 27 -7.632 -0.401 9.292 229 HG3 GLU 27 HG2 GLU 27 -7.412 1.201 8.581 230 H SER 28 H SER 28 -2.996 0.772 7.638 231 HA SER 28 HA SER 28 -1.483 -1.667 8.005 232 HB2 SER 28 HB1 SER 28 0.120 -0.593 6.483 233 HB3 SER 28 HB2 SER 28 -1.536 -0.373 5.886 234 HG SER 28 HG SER 28 -1.555 1.667 6.543 235 H GLY 29 H GLY 29 -1.464 1.413 9.651 236 HA2 GLY 29 HA1 GLY 29 -0.335 1.978 11.589 237 HA3 GLY 29 HA2 GLY 29 0.667 0.530 11.460 238 H LEU 30 H LEU 30 0.713 1.932 8.407 239 HA LEU 30 HA LEU 30 3.424 2.993 8.774 240 HB2 LEU 30 HB1 LEU 30 1.571 2.922 6.350 241 HB3 LEU 30 HB2 LEU 30 3.253 3.405 6.295 242 HG LEU 30 HG LEU 30 2.382 0.621 7.170 243 HD11 LEU 30 HD11 LEU 30 3.023 -0.088 4.872 244 HD12 LEU 30 HD12 LEU 30 3.216 1.621 4.415 245 HD13 LEU 30 HD13 LEU 30 1.624 0.996 4.889 246 HD21 LEU 30 HD21 LEU 30 4.726 0.040 6.658 247 HD22 LEU 30 HD22 LEU 30 4.681 1.316 7.877 248 HD23 LEU 30 HD23 LEU 30 5.065 1.720 6.198 249 H SER 31 H SER 31 3.917 5.134 7.641 250 HA SER 31 HA SER 31 2.182 7.202 8.826 251 HB2 SER 31 HB1 SER 31 4.589 7.409 9.070 252 HB3 SER 31 HB2 SER 31 4.817 7.317 7.314 253 HG SER 31 HG SER 31 4.669 9.433 8.563 254 H THR 32 H THR 32 1.046 8.772 7.515 255 HA THR 32 HA THR 32 -0.031 7.882 5.039 256 HB THR 32 HB THR 32 -0.611 10.466 4.968 257 HG1 THR 32 HG1 THR 32 -0.305 11.481 6.927 258 HG21 THR 32 HG21 THR 32 -1.620 8.819 7.321 259 HG22 THR 32 HG22 THR 32 -2.223 8.709 5.645 260 HG23 THR 32 HG23 THR 32 -2.428 10.207 6.568 261 H GLY 33 H GLY 33 2.844 9.775 5.924 262 HA2 GLY 33 HA1 GLY 33 3.310 10.808 3.258 263 HA3 GLY 33 HA2 GLY 33 4.445 10.796 4.623 264 H THR 34 H THR 34 4.162 7.800 4.969 265 HA THR 34 HA THR 34 6.280 7.016 3.196 266 HB THR 34 HB THR 34 4.536 5.501 5.184 267 HG1 THR 34 HG1 THR 34 6.302 5.683 6.462 268 HG21 THR 34 HG21 THR 34 5.304 3.829 3.673 269 HG22 THR 34 HG22 THR 34 6.377 3.762 5.073 270 HG23 THR 34 HG23 THR 34 6.913 4.552 3.563 271 H ILE 35 H ILE 35 2.788 6.026 3.447 272 HA ILE 35 HA ILE 35 2.816 4.147 1.387 273 HB ILE 35 HB ILE 35 0.643 6.003 2.405 274 HG12 ILE 35 HG11 ILE 35 0.861 3.036 2.895 275 HG13 ILE 35 HG12 ILE 35 1.845 4.130 3.853 276 HG21 ILE 35 HG21 ILE 35 -0.092 5.249 0.184 277 HG22 ILE 35 HG22 ILE 35 0.381 3.582 0.542 278 HG23 ILE 35 HG23 ILE 35 -0.987 4.353 1.392 279 HD11 ILE 35 HD11 ILE 35 -0.042 5.281 4.718 280 HD12 ILE 35 HD12 ILE 35 -1.165 4.417 3.644 281 HD13 ILE 35 HD13 ILE 35 -0.298 3.527 4.910 282 H SER 36 H SER 36 2.017 7.656 1.067 283 HA SER 36 HA SER 36 1.620 7.538 -1.723 284 HB2 SER 36 HB1 SER 36 1.777 9.900 -1.708 285 HB3 SER 36 HB2 SER 36 0.957 9.360 -0.258 286 HG SER 36 HG SER 36 3.498 10.510 -0.517 287 H SER 37 H SER 37 4.579 8.123 0.137 288 HA SER 37 HA SER 37 6.319 8.635 -2.059 289 HB2 SER 37 HB1 SER 37 6.576 8.446 0.737 290 HB3 SER 37 HB2 SER 37 7.626 7.190 0.139 291 HG SER 37 HG SER 37 7.608 9.964 -0.547 292 H PHE 38 H PHE 38 5.385 5.522 -0.497 293 HA PHE 38 HA PHE 38 7.140 3.860 -2.032 294 HB2 PHE 38 HB1 PHE 38 6.105 3.128 0.043 295 HB3 PHE 38 HB2 PHE 38 4.495 3.316 -0.625 296 HD1 PHE 38 HD1 PHE 38 7.564 1.227 -0.686 297 HD2 PHE 38 HD2 PHE 38 3.503 1.645 -2.079 298 HE1 PHE 38 HE1 PHE 38 7.575 -1.133 -1.440 299 HE2 PHE 38 HE2 PHE 38 3.513 -0.740 -2.793 300 HZ PHE 38 HZ PHE 38 5.531 -2.105 -2.520 301 H ILE 39 H ILE 39 3.714 4.833 -2.525 302 HA ILE 39 HA ILE 39 3.338 3.407 -4.958 303 HB ILE 39 HB ILE 39 1.979 5.853 -3.769 304 HG12 ILE 39 HG11 ILE 39 0.995 2.960 -3.964 305 HG13 ILE 39 HG12 ILE 39 1.888 3.549 -2.572 306 HG21 ILE 39 HG21 ILE 39 0.123 5.431 -5.350 307 HG22 ILE 39 HG22 ILE 39 1.595 5.824 -6.220 308 HG23 ILE 39 HG23 ILE 39 1.058 4.129 -6.105 309 HD11 ILE 39 HD11 ILE 39 -0.819 4.533 -3.510 310 HD12 ILE 39 HD12 ILE 39 -0.420 3.646 -2.032 311 HD13 ILE 39 HD13 ILE 39 0.151 5.316 -2.233 312 H ASN 40 H ASN 40 4.399 6.768 -4.321 313 HA ASN 40 HA ASN 40 4.710 7.648 -7.021 314 HB2 ASN 40 HB1 ASN 40 5.802 8.494 -4.310 315 HB3 ASN 40 HB2 ASN 40 6.601 9.094 -5.727 316 HD21 ASN 40 HD22 ASN 40 5.120 10.069 -7.488 317 HD22 ASN 40 HD21 ASN 40 3.843 11.104 -6.901 318 H ASP 41 H ASP 41 6.617 5.464 -5.095 319 HA ASP 41 HA ASP 41 8.477 4.315 -5.397 320 HB2 ASP 41 HB1 ASP 41 7.639 3.948 -7.730 321 HB3 ASP 41 HB2 ASP 41 8.709 5.235 -8.265 322 H LYS 42 H LYS 42 8.672 6.242 -3.920 323 HA LYS 42 HA LYS 42 11.154 7.747 -4.426 324 HB2 LYS 42 HB1 LYS 42 8.413 8.794 -3.668 325 HB3 LYS 42 HB2 LYS 42 9.829 9.648 -3.094 326 HG2 LYS 42 HG1 LYS 42 9.344 9.057 -6.054 327 HG3 LYS 42 HG2 LYS 42 8.823 10.487 -5.197 328 HD2 LYS 42 HD1 LYS 42 10.785 11.371 -5.863 329 HD3 LYS 42 HD2 LYS 42 11.372 10.598 -4.422 330 HE2 LYS 42 HE1 LYS 42 12.923 10.150 -6.197 331 HE3 LYS 42 HE2 LYS 42 12.125 8.629 -5.812 332 HZ1 LYS 42 HZ1 LYS 42 11.226 10.349 -8.020 333 HZ2 LYS 42 HZ2 LYS 42 10.824 8.788 -7.753 334 HZ3 LYS 42 HZ3 LYS 42 12.345 9.166 -8.225 335 H TYR 43 H TYR 43 9.645 5.520 -2.530 336 HA TYR 43 HA TYR 43 10.443 6.578 0.092 337 HB2 TYR 43 HB1 TYR 43 8.440 5.143 -0.145 338 HB3 TYR 43 HB2 TYR 43 9.454 3.810 -0.664 339 HD1 TYR 43 HD1 TYR 43 9.032 6.284 2.160 340 HD2 TYR 43 HD2 TYR 43 10.364 2.344 0.989 341 HE1 TYR 43 HE1 TYR 43 9.347 5.690 4.535 342 HE2 TYR 43 HE2 TYR 43 10.606 1.735 3.370 343 HH TYR 43 HH TYR 43 10.119 4.012 6.062 344 H ASN 44 H ASN 44 12.592 6.767 0.398 345 HA ASN 44 HA ASN 44 14.507 4.948 -0.856 346 HB2 ASN 44 HB1 ASN 44 14.934 7.207 1.156 347 HB3 ASN 44 HB2 ASN 44 16.184 6.395 0.220 348 HD21 ASN 44 HD22 ASN 44 14.812 9.356 0.265 349 HD22 ASN 44 HD21 ASN 44 14.610 9.546 -1.476 350 H GLY 45 H GLY 45 12.555 4.524 1.744 351 HA2 GLY 45 HA1 GLY 45 14.515 3.536 3.688 352 HA3 GLY 45 HA2 GLY 45 12.751 3.558 3.849 353 H ASP 46 H ASP 46 12.903 1.339 4.538 354 HA ASP 46 HA ASP 46 13.927 -0.728 2.746 355 HB2 ASP 46 HB1 ASP 46 12.321 -0.862 5.314 356 HB3 ASP 46 HB2 ASP 46 12.874 -2.274 4.397 357 H ASN 47 H ASN 47 12.843 -0.497 0.831 358 HA ASN 47 HA ASN 47 10.081 -0.051 0.472 359 HB2 ASN 47 HB1 ASN 47 12.095 -1.449 -1.337 360 HB3 ASN 47 HB2 ASN 47 10.436 -1.075 -1.804 361 HD21 ASN 47 HD22 ASN 47 9.738 1.314 -1.685 362 HD22 ASN 47 HD21 ASN 47 11.015 2.507 -1.851 363 H GLU 48 H GLU 48 11.885 -3.118 0.914 364 HA GLU 48 HA GLU 48 9.608 -4.815 0.384 365 HB2 GLU 48 HB1 GLU 48 12.157 -5.291 1.986 366 HB3 GLU 48 HB2 GLU 48 10.934 -6.532 1.656 367 HG2 GLU 48 HG1 GLU 48 11.267 -6.127 -0.802 368 HG3 GLU 48 HG2 GLU 48 12.621 -5.057 -0.411 369 H ARG 49 H ARG 49 10.983 -3.438 3.419 370 HA ARG 49 HA ARG 49 9.231 -4.727 5.231 371 HB2 ARG 49 HB1 ARG 49 11.279 -3.304 5.742 372 HB3 ARG 49 HB2 ARG 49 10.280 -1.879 5.410 373 HG2 ARG 49 HG1 ARG 49 8.742 -2.717 7.308 374 HG3 ARG 49 HG2 ARG 49 10.055 -3.861 7.692 375 HD2 ARG 49 HD1 ARG 49 11.635 -1.878 7.773 376 HD3 ARG 49 HD2 ARG 49 10.246 -0.815 7.525 377 HE ARG 49 HE ARG 49 9.920 -2.613 9.778 378 HH11 ARG 49 HH11 ARG 49 11.357 0.465 8.745 379 HH12 ARG 49 HH12 ARG 49 11.183 1.273 10.250 380 HH21 ARG 49 HH21 ARG 49 10.004 -1.686 11.922 381 HH22 ARG 49 HH22 ARG 49 10.553 -0.061 12.153 382 H VAL 50 H VAL 50 8.822 -1.721 3.332 383 HA VAL 50 HA VAL 50 6.190 -1.144 4.414 384 HB VAL 50 HB VAL 50 7.713 -0.104 1.989 385 HG11 VAL 50 HG11 VAL 50 5.010 0.792 3.086 386 HG12 VAL 50 HG12 VAL 50 6.008 1.738 1.959 387 HG13 VAL 50 HG13 VAL 50 5.362 0.178 1.455 388 HG21 VAL 50 HG21 VAL 50 7.023 1.019 4.742 389 HG22 VAL 50 HG22 VAL 50 8.630 0.526 4.163 390 HG23 VAL 50 HG23 VAL 50 7.815 1.928 3.445 391 H SER 51 H SER 51 7.331 -2.661 1.319 392 HA SER 51 HA SER 51 4.794 -3.103 0.257 393 HB2 SER 51 HB1 SER 51 5.754 -4.479 -1.316 394 HB3 SER 51 HB2 SER 51 7.078 -3.425 -0.843 395 HG SER 51 HG SER 51 7.214 -5.947 -0.993 396 H GLN 52 H GLN 52 6.629 -5.305 2.417 397 HA GLN 52 HA GLN 52 4.677 -7.342 2.594 398 HB2 GLN 52 HB1 GLN 52 6.800 -6.373 4.566 399 HB3 GLN 52 HB2 GLN 52 5.834 -7.821 4.829 400 HG2 GLN 52 HG1 GLN 52 7.670 -7.365 2.431 401 HG3 GLN 52 HG2 GLN 52 8.032 -8.348 3.838 402 HE21 GLN 52 HE22 GLN 52 6.997 -8.550 0.684 403 HE22 GLN 52 HE21 GLN 52 5.888 -9.938 0.806 404 H THR 53 H THR 53 4.840 -4.240 4.275 405 HA THR 53 HA THR 53 2.786 -4.931 6.240 406 HB THR 53 HB THR 53 3.814 -2.185 5.418 407 HG1 THR 53 HG1 THR 53 5.575 -3.360 6.109 408 HG21 THR 53 HG21 THR 53 1.765 -2.119 6.794 409 HG22 THR 53 HG22 THR 53 3.163 -1.612 7.760 410 HG23 THR 53 HG23 THR 53 2.493 -3.243 7.958 411 H LEU 54 H LEU 54 2.937 -3.248 3.092 412 HA LEU 54 HA LEU 54 0.146 -2.535 3.027 413 HB2 LEU 54 HB1 LEU 54 2.201 -2.866 0.802 414 HB3 LEU 54 HB2 LEU 54 0.601 -2.165 0.578 415 HG LEU 54 HG LEU 54 2.658 -1.024 2.529 416 HD11 LEU 54 HD11 LEU 54 3.569 -0.920 0.275 417 HD12 LEU 54 HD12 LEU 54 3.101 0.696 0.821 418 HD13 LEU 54 HD13 LEU 54 2.075 -0.182 -0.331 419 HD21 LEU 54 HD21 LEU 54 1.336 0.971 2.480 420 HD22 LEU 54 HD22 LEU 54 0.296 -0.365 2.978 421 HD23 LEU 54 HD23 LEU 54 0.207 0.275 1.317 422 H GLN 55 H GLN 55 2.009 -5.339 1.936 423 HA GLN 55 HA GLN 55 0.088 -6.752 0.461 424 HB2 GLN 55 HB1 GLN 55 2.472 -7.531 2.170 425 HB3 GLN 55 HB2 GLN 55 1.486 -8.793 1.467 426 HG2 GLN 55 HG1 GLN 55 2.454 -6.602 -0.330 427 HG3 GLN 55 HG2 GLN 55 3.604 -7.836 0.211 428 HE21 GLN 55 HE22 GLN 55 3.603 -9.807 -0.995 429 HE22 GLN 55 HE21 GLN 55 2.171 -10.297 -1.918 430 H ARG 56 H ARG 56 0.879 -7.170 3.971 431 HA ARG 56 HA ARG 56 -1.284 -8.941 4.448 432 HB2 ARG 56 HB1 ARG 56 0.238 -7.033 6.288 433 HB3 ARG 56 HB2 ARG 56 -1.100 -8.035 6.859 434 HG2 ARG 56 HG1 ARG 56 0.083 -10.023 5.717 435 HG3 ARG 56 HG2 ARG 56 1.499 -8.994 5.615 436 HD2 ARG 56 HD1 ARG 56 1.729 -8.903 7.993 437 HD3 ARG 56 HD2 ARG 56 0.081 -9.452 8.258 438 HE ARG 56 HE ARG 56 2.415 -11.087 7.622 439 HH11 ARG 56 HH11 ARG 56 -1.154 -11.067 7.940 440 HH12 ARG 56 HH12 ARG 56 -1.321 -12.684 7.336 441 HH21 ARG 56 HH21 ARG 56 2.154 -13.357 7.146 442 HH22 ARG 56 HH22 ARG 56 0.531 -13.991 7.009 443 H TRP 57 H TRP 57 -1.272 -5.417 4.407 444 HA TRP 57 HA TRP 57 -3.963 -5.191 5.462 445 HB2 TRP 57 HB1 TRP 57 -2.456 -3.295 5.547 446 HB3 TRP 57 HB2 TRP 57 -2.254 -3.308 3.795 447 HD1 TRP 57 HD1 TRP 57 -4.896 -2.489 6.454 448 HE1 TRP 57 HE1 TRP 57 -6.782 -1.157 5.429 449 HE3 TRP 57 HE3 TRP 57 -3.500 -2.785 1.560 450 HZ2 TRP 57 HZ2 TRP 57 -7.411 0.006 2.838 451 HZ3 TRP 57 HZ3 TRP 57 -4.809 -1.612 -0.186 452 HH2 TRP 57 HH2 TRP 57 -6.752 -0.217 0.427 453 H LEU 58 H LEU 58 -2.664 -5.223 2.069 454 HA LEU 58 HA LEU 58 -5.193 -5.029 0.819 455 HB2 LEU 58 HB1 LEU 58 -2.448 -5.359 -0.020 456 HB3 LEU 58 HB2 LEU 58 -3.401 -6.592 -0.822 457 HG LEU 58 HG LEU 58 -4.116 -3.651 -0.821 458 HD11 LEU 58 HD11 LEU 58 -3.318 -3.602 -3.175 459 HD12 LEU 58 HD12 LEU 58 -2.838 -5.285 -3.052 460 HD13 LEU 58 HD13 LEU 58 -1.989 -4.063 -2.086 461 HD21 LEU 58 HD21 LEU 58 -5.172 -5.922 -2.511 462 HD22 LEU 58 HD22 LEU 58 -5.510 -4.203 -2.768 463 HD23 LEU 58 HD23 LEU 58 -6.052 -4.982 -1.269 464 H GLU 59 H GLU 59 -3.371 -7.833 1.964 465 HA GLU 59 HA GLU 59 -4.842 -9.922 0.792 466 HB2 GLU 59 HB1 GLU 59 -3.211 -9.663 3.343 467 HB3 GLU 59 HB2 GLU 59 -4.056 -11.170 2.963 468 HG2 GLU 59 HG1 GLU 59 -2.891 -11.456 0.904 469 HG3 GLU 59 HG2 GLU 59 -2.192 -9.851 0.956 470 H LYS 60 H LYS 60 -5.428 -8.215 3.964 471 HA LYS 60 HA LYS 60 -7.874 -9.757 4.321 472 HB2 LYS 60 HB1 LYS 60 -8.338 -8.394 6.229 473 HB3 LYS 60 HB2 LYS 60 -6.698 -9.036 6.278 474 HG2 LYS 60 HG1 LYS 60 -5.692 -6.950 5.986 475 HG3 LYS 60 HG2 LYS 60 -7.169 -6.197 5.347 476 HD2 LYS 60 HD1 LYS 60 -8.243 -6.164 7.396 477 HD3 LYS 60 HD2 LYS 60 -7.134 -7.295 8.173 478 HE2 LYS 60 HE1 LYS 60 -6.174 -4.598 7.160 479 HE3 LYS 60 HE2 LYS 60 -7.040 -4.726 8.692 480 HZ1 LYS 60 HZ1 LYS 60 -5.382 -6.288 9.481 481 HZ2 LYS 60 HZ2 LYS 60 -4.716 -4.880 9.125 482 HZ3 LYS 60 HZ3 LYS 60 -4.516 -6.171 8.101 483 H TYR 61 H TYR 61 -7.084 -6.680 2.801 484 HA TYR 61 HA TYR 61 -9.730 -5.646 2.709 485 HB2 TYR 61 HB1 TYR 61 -7.180 -4.821 1.826 486 HB3 TYR 61 HB2 TYR 61 -8.106 -4.976 0.342 487 HD1 TYR 61 HD2 TYR 61 -8.164 -3.538 3.794 488 HD2 TYR 61 HD1 TYR 61 -9.667 -3.231 -0.247 489 HE1 TYR 61 HE2 TYR 61 -9.344 -1.482 4.411 490 HE2 TYR 61 HE1 TYR 61 -10.857 -1.166 0.349 491 HH TYR 61 HH TYR 61 -11.457 0.287 2.051 492 H HIS 62 H HIS 62 -7.909 -7.580 0.320 493 HA HIS 62 HA HIS 62 -10.218 -7.963 -1.406 494 HB2 HIS 62 HB1 HIS 62 -7.321 -8.796 -1.357 495 HB3 HIS 62 HB2 HIS 62 -8.405 -9.716 -2.367 496 HD1 HIS 62 HD1 HIS 62 -8.558 -8.860 -4.752 497 HD2 HIS 62 HD2 HIS 62 -7.876 -5.853 -1.877 498 HE1 HIS 62 HE1 HIS 62 -8.393 -6.695 -6.026 499 H ALA 63 H ALA 63 -9.922 -9.399 1.585 500 HA ALA 63 HA ALA 63 -11.285 -11.848 0.589 501 HB1 ALA 63 HB1 ALA 63 -10.033 -13.208 2.208 502 HB2 ALA 63 HB2 ALA 63 -8.918 -12.460 1.041 503 HB3 ALA 63 HB3 ALA 63 -9.067 -11.786 2.662 Start of MODEL 5 1 H1 GLY -1 H GLY -1 -1.539 -15.004 -5.068 2 HA2 GLY -1 HA1 GLY -1 0.608 -16.995 -4.621 3 HA3 GLY -1 HA2 GLY -1 0.111 -16.382 -6.209 4 HA PRO 0 HA PRO 0 3.588 -13.797 -4.291 5 HB2 PRO 0 HB1 PRO 0 5.492 -14.106 -6.245 6 HB3 PRO 0 HB2 PRO 0 5.298 -15.228 -4.865 7 HG2 PRO 0 HG1 PRO 0 4.203 -15.529 -7.678 8 HG3 PRO 0 HG2 PRO 0 5.079 -16.747 -6.694 9 HD2 PRO 0 HD1 PRO 0 2.365 -16.725 -6.860 10 HD3 PRO 0 HD2 PRO 0 3.191 -17.129 -5.328 11 H MET 1 H MET 1 4.140 -11.637 -4.949 12 HA MET 1 HA MET 1 3.309 -10.729 -7.593 13 HB2 MET 1 HB1 MET 1 1.819 -9.016 -6.771 14 HB3 MET 1 HB2 MET 1 1.219 -10.609 -6.340 15 HG2 MET 1 HG1 MET 1 2.163 -10.272 -4.043 16 HG3 MET 1 HG2 MET 1 2.552 -8.617 -4.485 17 HE1 MET 1 HE1 MET 1 -0.910 -6.940 -4.950 18 HE2 MET 1 HE2 MET 1 0.808 -6.962 -5.407 19 HE3 MET 1 HE3 MET 1 -0.363 -7.967 -6.293 20 H ASN 2 H ASN 2 4.831 -9.419 -8.300 21 HA ASN 2 HA ASN 2 7.051 -8.572 -6.752 22 HB2 ASN 2 HB1 ASN 2 7.766 -7.317 -8.664 23 HB3 ASN 2 HB2 ASN 2 7.069 -8.813 -9.241 24 HD21 ASN 2 HD22 ASN 2 4.245 -7.563 -8.756 25 HD22 ASN 2 HD21 ASN 2 3.979 -6.649 -10.219 26 H ILE 3 H ILE 3 7.685 -6.323 -6.175 27 HA ILE 3 HA ILE 3 5.765 -5.011 -4.628 28 HB ILE 3 HB ILE 3 8.426 -4.003 -5.696 29 HG12 ILE 3 HG11 ILE 3 7.539 -5.202 -3.034 30 HG13 ILE 3 HG12 ILE 3 8.543 -5.985 -4.243 31 HG21 ILE 3 HG21 ILE 3 8.326 -2.275 -3.934 32 HG22 ILE 3 HG22 ILE 3 7.068 -2.043 -5.130 33 HG23 ILE 3 HG23 ILE 3 6.664 -2.782 -3.568 34 HD11 ILE 3 HD11 ILE 3 9.319 -3.648 -2.480 35 HD12 ILE 3 HD12 ILE 3 9.993 -5.280 -2.505 36 HD13 ILE 3 HD13 ILE 3 10.287 -4.194 -3.878 37 H SER 4 H SER 4 6.519 -4.483 -8.042 38 HA SER 4 HA SER 4 5.235 -2.029 -8.345 39 HB2 SER 4 HB1 SER 4 5.253 -4.223 -10.430 40 HB3 SER 4 HB2 SER 4 5.325 -2.479 -10.666 41 HG SER 4 HG SER 4 7.415 -2.808 -9.264 42 H ASP 5 H ASP 5 3.803 -5.272 -8.082 43 HA ASP 5 HA ASP 5 1.167 -4.375 -9.016 44 HB2 ASP 5 HB1 ASP 5 2.258 -6.986 -7.951 45 HB3 ASP 5 HB2 ASP 5 0.522 -6.688 -8.049 46 H ILE 6 H ILE 6 2.829 -4.962 -5.927 47 HA ILE 6 HA ILE 6 0.583 -4.850 -4.207 48 HB ILE 6 HB ILE 6 3.438 -3.899 -3.695 49 HG12 ILE 6 HG11 ILE 6 2.080 -6.535 -2.959 50 HG13 ILE 6 HG12 ILE 6 3.141 -6.335 -4.343 51 HG21 ILE 6 HG21 ILE 6 1.254 -4.558 -1.670 52 HG22 ILE 6 HG22 ILE 6 2.924 -4.096 -1.293 53 HG23 ILE 6 HG23 ILE 6 1.845 -2.929 -2.034 54 HD11 ILE 6 HD11 ILE 6 4.013 -6.011 -1.454 55 HD12 ILE 6 HD12 ILE 6 4.365 -7.362 -2.542 56 HD13 ILE 6 HD13 ILE 6 5.032 -5.756 -2.864 57 H ARG 7 H ARG 7 2.640 -2.195 -5.449 58 HA ARG 7 HA ARG 7 0.983 -0.139 -4.239 59 HB2 ARG 7 HB1 ARG 7 2.249 1.423 -5.626 60 HB3 ARG 7 HB2 ARG 7 3.336 0.317 -4.769 61 HG2 ARG 7 HG1 ARG 7 3.523 -1.023 -6.877 62 HG3 ARG 7 HG2 ARG 7 2.496 0.175 -7.696 63 HD2 ARG 7 HD1 ARG 7 4.207 1.913 -7.193 64 HD3 ARG 7 HD2 ARG 7 5.208 0.651 -6.447 65 HE ARG 7 HE ARG 7 4.283 0.330 -9.250 66 HH11 ARG 7 HH11 ARG 7 7.053 1.003 -7.056 67 HH12 ARG 7 HH12 ARG 7 8.241 0.713 -8.264 68 HH21 ARG 7 HH21 ARG 7 5.909 -0.147 -10.814 69 HH22 ARG 7 HH22 ARG 7 7.586 0.077 -10.440 70 H ALA 8 H ALA 8 0.636 -1.950 -7.238 71 HA ALA 8 HA ALA 8 -0.794 0.015 -8.723 72 HB1 ALA 8 HB1 ALA 8 0.224 -2.041 -9.726 73 HB2 ALA 8 HB2 ALA 8 -1.026 -3.018 -8.929 74 HB3 ALA 8 HB3 ALA 8 -1.488 -1.825 -10.139 75 H GLY 9 H GLY 9 -1.939 -2.712 -6.695 76 HA2 GLY 9 HA1 GLY 9 -4.672 -2.467 -7.024 77 HA3 GLY 9 HA2 GLY 9 -3.874 -3.029 -5.547 78 H LEU 10 H LEU 10 -2.616 -0.754 -4.744 79 HA LEU 10 HA LEU 10 -4.623 0.584 -3.299 80 HB2 LEU 10 HB1 LEU 10 -1.890 1.638 -4.012 81 HB3 LEU 10 HB2 LEU 10 -2.825 2.102 -2.574 82 HG LEU 10 HG LEU 10 -1.471 -0.561 -3.144 83 HD11 LEU 10 HD11 LEU 10 0.014 1.182 -2.282 84 HD12 LEU 10 HD12 LEU 10 -0.208 -0.129 -1.118 85 HD13 LEU 10 HD13 LEU 10 -1.060 1.411 -0.878 86 HD21 LEU 10 HD21 LEU 10 -2.293 -1.323 -0.930 87 HD22 LEU 10 HD22 LEU 10 -3.590 -1.115 -2.095 88 HD23 LEU 10 HD23 LEU 10 -3.335 0.125 -0.845 89 H ARG 11 H ARG 11 -3.221 1.465 -6.438 90 HA ARG 11 HA ARG 11 -4.266 4.176 -6.460 91 HB2 ARG 11 HB1 ARG 11 -3.752 2.327 -8.824 92 HB3 ARG 11 HB2 ARG 11 -4.010 4.070 -8.880 93 HG2 ARG 11 HG1 ARG 11 -1.917 4.372 -7.547 94 HG3 ARG 11 HG2 ARG 11 -1.666 2.604 -7.621 95 HD2 ARG 11 HD1 ARG 11 -1.540 2.662 -10.053 96 HD3 ARG 11 HD2 ARG 11 -2.084 4.327 -10.087 97 HE ARG 11 HE ARG 11 -0.036 5.141 -9.575 98 HH11 ARG 11 HH11 ARG 11 0.100 1.644 -9.520 99 HH12 ARG 11 HH12 ARG 11 1.810 1.529 -9.714 100 HH21 ARG 11 HH21 ARG 11 2.138 5.086 -9.863 101 HH22 ARG 11 HH22 ARG 11 3.082 3.641 -9.766 102 H THR 12 H THR 12 -5.359 1.013 -7.645 103 HA THR 12 HA THR 12 -7.778 1.827 -8.829 104 HB THR 12 HB THR 12 -7.381 -0.865 -7.486 105 HG1 THR 12 HG1 THR 12 -6.045 -1.491 -9.120 106 HG21 THR 12 HG21 THR 12 -8.538 -1.669 -9.500 107 HG22 THR 12 HG22 THR 12 -8.553 -0.022 -10.177 108 HG23 THR 12 HG23 THR 12 -9.488 -0.391 -8.713 109 H LEU 13 H LEU 13 -7.050 0.840 -5.497 110 HA LEU 13 HA LEU 13 -9.767 0.955 -4.594 111 HB2 LEU 13 HB1 LEU 13 -7.179 1.225 -3.023 112 HB3 LEU 13 HB2 LEU 13 -8.783 1.047 -2.302 113 HG LEU 13 HG LEU 13 -7.480 -0.959 -4.097 114 HD11 LEU 13 HD11 LEU 13 -7.134 -2.361 -2.177 115 HD12 LEU 13 HD12 LEU 13 -7.826 -1.112 -1.130 116 HD13 LEU 13 HD13 LEU 13 -6.300 -0.812 -2.007 117 HD21 LEU 13 HD21 LEU 13 -9.895 -1.221 -4.279 118 HD22 LEU 13 HD22 LEU 13 -10.067 -1.182 -2.508 119 HD23 LEU 13 HD23 LEU 13 -9.251 -2.534 -3.306 120 H VAL 14 H VAL 14 -7.142 3.452 -4.559 121 HA VAL 14 HA VAL 14 -8.914 5.271 -3.152 122 HB VAL 14 HB VAL 14 -7.410 7.098 -3.659 123 HG11 VAL 14 HG11 VAL 14 -7.148 5.716 -1.674 124 HG12 VAL 14 HG12 VAL 14 -6.097 4.590 -2.545 125 HG13 VAL 14 HG13 VAL 14 -5.580 6.283 -2.254 126 HG21 VAL 14 HG21 VAL 14 -5.231 6.753 -4.679 127 HG22 VAL 14 HG22 VAL 14 -5.688 5.096 -5.123 128 HG23 VAL 14 HG23 VAL 14 -6.522 6.473 -5.853 129 H GLU 15 H GLU 15 -8.345 4.606 -6.596 130 HA GLU 15 HA GLU 15 -9.656 6.807 -7.783 131 HB2 GLU 15 HB1 GLU 15 -9.092 3.930 -8.523 132 HB3 GLU 15 HB2 GLU 15 -10.175 4.821 -9.549 133 HG2 GLU 15 HG1 GLU 15 -7.492 6.025 -8.795 134 HG3 GLU 15 HG2 GLU 15 -7.558 4.724 -9.973 135 H ASN 16 H ASN 16 -10.897 3.853 -6.348 136 HA ASN 16 HA ASN 16 -13.707 4.491 -7.112 137 HB2 ASN 16 HB1 ASN 16 -12.296 2.027 -6.055 138 HB3 ASN 16 HB2 ASN 16 -14.067 2.166 -6.085 139 HD21 ASN 16 HD22 ASN 16 -11.123 1.972 -8.042 140 HD22 ASN 16 HD21 ASN 16 -11.956 1.714 -9.570 141 H GLU 17 H GLU 17 -11.742 5.561 -4.759 142 HA GLU 17 HA GLU 17 -11.939 6.391 -2.700 143 HB2 GLU 17 HB1 GLU 17 -14.916 6.304 -3.203 144 HB3 GLU 17 HB2 GLU 17 -14.082 7.278 -1.985 145 HG2 GLU 17 HG1 GLU 17 -12.935 8.540 -3.778 146 HG3 GLU 17 HG2 GLU 17 -13.798 7.599 -5.004 147 H GLU 18 H GLU 18 -12.175 3.399 -3.156 148 HA GLU 18 HA GLU 18 -13.695 2.118 -1.125 149 HB2 GLU 18 HB1 GLU 18 -10.976 1.278 -2.172 150 HB3 GLU 18 HB2 GLU 18 -12.208 0.220 -1.502 151 HG2 GLU 18 HG1 GLU 18 -12.711 1.813 -4.023 152 HG3 GLU 18 HG2 GLU 18 -11.753 0.351 -4.066 153 H THR 19 H THR 19 -10.711 3.945 -1.100 154 HA THR 19 HA THR 19 -10.376 3.638 1.759 155 HB THR 19 HB THR 19 -9.325 1.626 0.485 156 HG1 THR 19 HG1 THR 19 -8.663 1.702 2.414 157 HG21 THR 19 HG21 THR 19 -7.132 3.590 -0.181 158 HG22 THR 19 HG22 THR 19 -8.316 2.969 -1.345 159 HG23 THR 19 HG23 THR 19 -7.204 1.831 -0.560 160 H THR 20 H THR 20 -8.340 4.966 2.403 161 HA THR 20 HA THR 20 -7.783 7.222 0.574 162 HB THR 20 HB THR 20 -8.000 8.754 2.552 163 HG1 THR 20 HG1 THR 20 -9.833 7.246 3.873 164 HG21 THR 20 HG21 THR 20 -10.308 9.119 2.380 165 HG22 THR 20 HG22 THR 20 -10.611 7.485 1.711 166 HG23 THR 20 HG23 THR 20 -9.645 8.682 0.795 167 H PHE 21 H PHE 21 -5.950 8.498 1.332 168 HA PHE 21 HA PHE 21 -3.725 6.923 2.022 169 HB2 PHE 21 HB1 PHE 21 -4.397 9.867 1.952 170 HB3 PHE 21 HB2 PHE 21 -2.775 9.344 2.510 171 HD1 PHE 21 HD2 PHE 21 -1.698 7.398 0.930 172 HD2 PHE 21 HD1 PHE 21 -4.517 10.403 -0.371 173 HE1 PHE 21 HE2 PHE 21 -1.051 6.992 -1.431 174 HE2 PHE 21 HE1 PHE 21 -3.831 10.019 -2.710 175 HZ PHE 21 HZ PHE 21 -2.108 8.308 -3.253 176 H LYS 22 H LYS 22 -5.909 8.848 4.110 177 HA LYS 22 HA LYS 22 -4.325 8.436 6.510 178 HB2 LYS 22 HB1 LYS 22 -7.243 9.230 6.088 179 HB3 LYS 22 HB2 LYS 22 -6.472 9.072 7.676 180 HG2 LYS 22 HG1 LYS 22 -4.757 10.751 7.016 181 HG3 LYS 22 HG2 LYS 22 -5.616 10.970 5.471 182 HD2 LYS 22 HD1 LYS 22 -7.674 11.559 6.738 183 HD3 LYS 22 HD2 LYS 22 -6.763 11.441 8.254 184 HE2 LYS 22 HE1 LYS 22 -6.357 13.406 5.979 185 HE3 LYS 22 HE2 LYS 22 -7.072 13.744 7.566 186 HZ1 LYS 22 HZ1 LYS 22 -4.273 13.052 6.978 187 HZ2 LYS 22 HZ2 LYS 22 -4.859 13.117 8.515 188 HZ3 LYS 22 HZ3 LYS 22 -4.860 14.473 7.568 189 H GLN 23 H GLN 23 -7.302 6.834 5.169 190 HA GLN 23 HA GLN 23 -7.569 5.104 7.335 191 HB2 GLN 23 HB1 GLN 23 -9.306 5.592 5.645 192 HB3 GLN 23 HB2 GLN 23 -8.414 4.653 4.444 193 HG2 GLN 23 HG1 GLN 23 -10.321 3.428 5.422 194 HG3 GLN 23 HG2 GLN 23 -8.782 2.620 5.699 195 HE21 GLN 23 HE22 GLN 23 -7.830 2.727 7.876 196 HE22 GLN 23 HE21 GLN 23 -8.863 2.864 9.280 197 H ILE 24 H ILE 24 -5.802 4.584 4.211 198 HA ILE 24 HA ILE 24 -4.961 1.947 4.763 199 HB ILE 24 HB ILE 24 -3.485 4.148 3.232 200 HG12 ILE 24 HG11 ILE 24 -5.052 1.815 2.054 201 HG13 ILE 24 HG12 ILE 24 -5.774 3.386 2.307 202 HG21 ILE 24 HG21 ILE 24 -3.053 1.136 3.386 203 HG22 ILE 24 HG22 ILE 24 -2.240 2.173 2.192 204 HG23 ILE 24 HG23 ILE 24 -1.904 2.367 3.904 205 HD11 ILE 24 HD11 ILE 24 -3.415 2.797 0.467 206 HD12 ILE 24 HD12 ILE 24 -5.049 3.239 -0.005 207 HD13 ILE 24 HD13 ILE 24 -4.042 4.432 0.831 208 H ALA 25 H ALA 25 -3.361 5.100 5.555 209 HA ALA 25 HA ALA 25 -1.092 4.053 6.870 210 HB1 ALA 25 HB1 ALA 25 -2.567 6.675 7.345 211 HB2 ALA 25 HB2 ALA 25 -0.873 6.335 7.717 212 HB3 ALA 25 HB3 ALA 25 -1.407 6.378 6.048 213 H LEU 26 H LEU 26 -4.324 4.871 8.171 214 HA LEU 26 HA LEU 26 -3.632 4.469 10.910 215 HB2 LEU 26 HB1 LEU 26 -5.600 5.769 10.020 216 HB3 LEU 26 HB2 LEU 26 -6.343 4.266 9.515 217 HG LEU 26 HG LEU 26 -6.484 3.512 11.864 218 HD11 LEU 26 HD11 LEU 26 -6.063 5.156 13.700 219 HD12 LEU 26 HD12 LEU 26 -5.293 6.245 12.521 220 HD13 LEU 26 HD13 LEU 26 -4.582 4.661 12.890 221 HD21 LEU 26 HD21 LEU 26 -8.234 5.043 12.560 222 HD22 LEU 26 HD22 LEU 26 -8.331 4.789 10.820 223 HD23 LEU 26 HD23 LEU 26 -7.642 6.303 11.449 224 H GLU 27 H GLU 27 -4.821 2.300 8.402 225 HA GLU 27 HA GLU 27 -5.276 0.087 10.262 226 HB2 GLU 27 HB1 GLU 27 -5.227 0.201 7.207 227 HB3 GLU 27 HB2 GLU 27 -5.531 -1.253 8.165 228 HG2 GLU 27 HG1 GLU 27 -7.216 0.699 9.293 229 HG3 GLU 27 HG2 GLU 27 -7.314 0.981 7.579 230 H SER 28 H SER 28 -2.817 0.843 7.765 231 HA SER 28 HA SER 28 -1.219 -1.469 8.295 232 HB2 SER 28 HB1 SER 28 0.319 -0.348 6.797 233 HB3 SER 28 HB2 SER 28 -1.324 -0.296 6.128 234 HG SER 28 HG SER 28 -1.480 1.800 6.649 235 H GLY 29 H GLY 29 -1.429 1.564 9.968 236 HA2 GLY 29 HA1 GLY 29 -0.219 2.361 11.743 237 HA3 GLY 29 HA2 GLY 29 0.740 0.867 11.745 238 H LEU 30 H LEU 30 0.764 2.165 8.592 239 HA LEU 30 HA LEU 30 3.551 3.116 8.903 240 HB2 LEU 30 HB1 LEU 30 1.833 3.040 6.383 241 HB3 LEU 30 HB2 LEU 30 3.560 3.315 6.476 242 HG LEU 30 HG LEU 30 2.156 0.683 7.104 243 HD11 LEU 30 HD11 LEU 30 3.408 -0.084 5.014 244 HD12 LEU 30 HD12 LEU 30 3.906 1.603 4.789 245 HD13 LEU 30 HD13 LEU 30 2.194 1.193 4.693 246 HD21 LEU 30 HD21 LEU 30 4.152 0.861 8.478 247 HD22 LEU 30 HD22 LEU 30 5.121 1.361 7.066 248 HD23 LEU 30 HD23 LEU 30 4.445 -0.280 7.158 249 H SER 31 H SER 31 4.058 5.301 7.854 250 HA SER 31 HA SER 31 2.111 7.245 8.834 251 HB2 SER 31 HB1 SER 31 4.836 7.605 7.536 252 HB3 SER 31 HB2 SER 31 3.885 8.849 8.391 253 HG SER 31 HG SER 31 3.945 7.488 10.256 254 H THR 32 H THR 32 1.052 8.807 7.516 255 HA THR 32 HA THR 32 0.016 7.885 5.081 256 HB THR 32 HB THR 32 -0.793 10.222 4.769 257 HG1 THR 32 HG1 THR 32 0.159 11.039 7.219 258 HG21 THR 32 HG21 THR 32 -2.100 8.755 6.172 259 HG22 THR 32 HG22 THR 32 -2.124 10.391 6.846 260 HG23 THR 32 HG23 THR 32 -1.114 9.134 7.601 261 H GLY 33 H GLY 33 2.959 9.878 5.564 262 HA2 GLY 33 HA1 GLY 33 3.171 10.721 2.816 263 HA3 GLY 33 HA2 GLY 33 4.443 10.743 4.041 264 H THR 34 H THR 34 4.394 7.941 4.686 265 HA THR 34 HA THR 34 6.159 6.954 2.738 266 HB THR 34 HB THR 34 4.672 5.586 5.015 267 HG1 THR 34 HG1 THR 34 6.773 6.001 5.987 268 HG21 THR 34 HG21 THR 34 6.609 3.964 4.878 269 HG22 THR 34 HG22 THR 34 6.988 4.678 3.281 270 HG23 THR 34 HG23 THR 34 5.443 3.860 3.546 271 H ILE 35 H ILE 35 2.655 6.069 3.265 272 HA ILE 35 HA ILE 35 2.585 4.068 1.294 273 HB ILE 35 HB ILE 35 0.496 6.010 2.329 274 HG12 ILE 35 HG11 ILE 35 0.598 3.043 2.881 275 HG13 ILE 35 HG12 ILE 35 1.803 4.047 3.671 276 HG21 ILE 35 HG21 ILE 35 0.012 3.534 0.600 277 HG22 ILE 35 HG22 ILE 35 -1.244 4.428 1.484 278 HG23 ILE 35 HG23 ILE 35 -0.374 5.212 0.167 279 HD11 ILE 35 HD11 ILE 35 0.179 5.401 4.743 280 HD12 ILE 35 HD12 ILE 35 -1.162 4.633 3.855 281 HD13 ILE 35 HD13 ILE 35 -0.202 3.689 5.028 282 H SER 36 H SER 36 1.808 7.567 0.845 283 HA SER 36 HA SER 36 1.356 7.278 -1.963 284 HB2 SER 36 HB1 SER 36 1.825 9.813 -1.943 285 HB3 SER 36 HB2 SER 36 0.444 9.177 -1.046 286 HG SER 36 HG SER 36 1.466 10.657 0.131 287 H SER 37 H SER 37 4.293 8.013 -0.099 288 HA SER 37 HA SER 37 5.939 8.653 -2.347 289 HB2 SER 37 HB1 SER 37 6.358 9.148 0.089 290 HB3 SER 37 HB2 SER 37 6.809 7.447 0.317 291 HG SER 37 HG SER 37 8.542 8.906 -0.057 292 H PHE 38 H PHE 38 5.325 5.577 -0.598 293 HA PHE 38 HA PHE 38 7.027 3.897 -2.059 294 HB2 PHE 38 HB1 PHE 38 6.052 3.255 0.052 295 HB3 PHE 38 HB2 PHE 38 4.421 3.400 -0.576 296 HD1 PHE 38 HD1 PHE 38 7.472 1.314 -0.553 297 HD2 PHE 38 HD2 PHE 38 3.409 1.671 -1.959 298 HE1 PHE 38 HE1 PHE 38 7.435 -1.104 -1.066 299 HE2 PHE 38 HE2 PHE 38 3.397 -0.740 -2.537 300 HZ PHE 38 HZ PHE 38 5.364 -2.135 -2.046 301 H ILE 39 H ILE 39 3.512 4.649 -2.635 302 HA ILE 39 HA ILE 39 3.311 3.009 -4.929 303 HB ILE 39 HB ILE 39 1.762 5.500 -4.121 304 HG12 ILE 39 HG11 ILE 39 0.809 2.607 -4.002 305 HG13 ILE 39 HG12 ILE 39 1.699 3.324 -2.662 306 HG21 ILE 39 HG21 ILE 39 -0.019 4.727 -5.713 307 HG22 ILE 39 HG22 ILE 39 1.452 5.188 -6.545 308 HG23 ILE 39 HG23 ILE 39 1.074 3.468 -6.306 309 HD11 ILE 39 HD11 ILE 39 -0.622 3.555 -2.152 310 HD12 ILE 39 HD12 ILE 39 -0.020 5.169 -2.565 311 HD13 ILE 39 HD13 ILE 39 -0.974 4.235 -3.746 312 H ASN 40 H ASN 40 4.270 6.418 -4.584 313 HA ASN 40 HA ASN 40 4.551 6.815 -7.442 314 HB2 ASN 40 HB1 ASN 40 5.259 8.434 -4.974 315 HB3 ASN 40 HB2 ASN 40 5.857 8.913 -6.548 316 HD21 ASN 40 HD22 ASN 40 3.023 8.716 -4.568 317 HD22 ASN 40 HD21 ASN 40 1.969 9.607 -5.646 318 H ASP 41 H ASP 41 6.473 4.874 -5.484 319 HA ASP 41 HA ASP 41 8.592 4.077 -5.663 320 HB2 ASP 41 HB1 ASP 41 7.924 3.574 -7.963 321 HB3 ASP 41 HB2 ASP 41 8.456 5.162 -8.504 322 H LYS 42 H LYS 42 8.226 6.338 -4.311 323 HA LYS 42 HA LYS 42 10.631 8.048 -4.778 324 HB2 LYS 42 HB1 LYS 42 7.747 8.645 -4.056 325 HB3 LYS 42 HB2 LYS 42 8.968 9.682 -3.387 326 HG2 LYS 42 HG1 LYS 42 8.936 9.089 -6.359 327 HG3 LYS 42 HG2 LYS 42 7.830 10.279 -5.674 328 HD2 LYS 42 HD1 LYS 42 10.870 10.419 -5.378 329 HD3 LYS 42 HD2 LYS 42 9.914 11.260 -6.602 330 HE2 LYS 42 HE1 LYS 42 9.819 12.964 -5.139 331 HE3 LYS 42 HE2 LYS 42 8.524 12.029 -4.393 332 HZ1 LYS 42 HZ1 LYS 42 11.347 12.197 -3.582 333 HZ2 LYS 42 HZ2 LYS 42 10.294 11.098 -2.892 334 HZ3 LYS 42 HZ3 LYS 42 10.053 12.723 -2.759 335 H TYR 43 H TYR 43 9.319 5.734 -2.605 336 HA TYR 43 HA TYR 43 10.247 7.107 -0.188 337 HB2 TYR 43 HB1 TYR 43 8.266 5.613 -0.218 338 HB3 TYR 43 HB2 TYR 43 9.300 4.253 -0.596 339 HD1 TYR 43 HD1 TYR 43 9.300 7.075 1.955 340 HD2 TYR 43 HD2 TYR 43 9.673 2.832 1.234 341 HE1 TYR 43 HE1 TYR 43 9.560 6.680 4.379 342 HE2 TYR 43 HE2 TYR 43 9.865 2.449 3.660 343 HH TYR 43 HH TYR 43 10.740 4.431 5.817 344 H ASN 44 H ASN 44 12.004 6.181 1.216 345 HA ASN 44 HA ASN 44 13.979 4.423 -0.101 346 HB2 ASN 44 HB1 ASN 44 14.438 7.379 0.507 347 HB3 ASN 44 HB2 ASN 44 15.758 6.249 0.543 348 HD21 ASN 44 HD22 ASN 44 16.507 5.230 -1.452 349 HD22 ASN 44 HD21 ASN 44 15.955 5.862 -3.004 350 H GLY 45 H GLY 45 13.932 2.948 1.621 351 HA2 GLY 45 HA1 GLY 45 15.397 2.831 3.754 352 HA3 GLY 45 HA2 GLY 45 14.255 4.035 4.383 353 H ASP 46 H ASP 46 14.811 0.686 3.958 354 HA ASP 46 HA ASP 46 13.581 -1.165 4.377 355 HB2 ASP 46 HB1 ASP 46 12.245 0.770 6.296 356 HB3 ASP 46 HB2 ASP 46 11.787 -0.919 6.202 357 H ASN 47 H ASN 47 12.913 0.150 1.976 358 HA ASN 47 HA ASN 47 10.136 0.497 1.560 359 HB2 ASN 47 HB1 ASN 47 12.169 -0.540 -0.454 360 HB3 ASN 47 HB2 ASN 47 10.585 0.096 -0.827 361 HD21 ASN 47 HD22 ASN 47 10.587 2.296 -1.513 362 HD22 ASN 47 HD21 ASN 47 11.887 3.357 -1.142 363 H GLU 48 H GLU 48 12.115 -2.421 1.644 364 HA GLU 48 HA GLU 48 10.159 -4.281 0.665 365 HB2 GLU 48 HB1 GLU 48 12.743 -4.534 2.217 366 HB3 GLU 48 HB2 GLU 48 11.742 -5.945 1.874 367 HG2 GLU 48 HG1 GLU 48 12.015 -5.821 -0.433 368 HG3 GLU 48 HG2 GLU 48 12.404 -4.103 -0.414 369 H ARG 49 H ARG 49 10.761 -2.822 3.826 370 HA ARG 49 HA ARG 49 9.207 -4.751 5.355 371 HB2 ARG 49 HB1 ARG 49 10.912 -3.048 6.302 372 HB3 ARG 49 HB2 ARG 49 9.710 -1.802 5.984 373 HG2 ARG 49 HG1 ARG 49 9.564 -2.283 8.274 374 HG3 ARG 49 HG2 ARG 49 8.115 -3.008 7.546 375 HD2 ARG 49 HD1 ARG 49 9.107 -5.200 7.619 376 HD3 ARG 49 HD2 ARG 49 10.700 -4.514 7.988 377 HE ARG 49 HE ARG 49 8.641 -3.998 10.006 378 HH11 ARG 49 HH11 ARG 49 11.253 -6.121 8.881 379 HH12 ARG 49 HH12 ARG 49 11.771 -6.609 10.457 380 HH21 ARG 49 HH21 ARG 49 9.121 -4.923 12.165 381 HH22 ARG 49 HH22 ARG 49 10.566 -5.840 12.332 382 H VAL 50 H VAL 50 8.677 -1.524 3.934 383 HA VAL 50 HA VAL 50 5.952 -1.207 4.533 384 HB VAL 50 HB VAL 50 7.706 -0.079 2.312 385 HG11 VAL 50 HG11 VAL 50 4.858 0.713 3.013 386 HG12 VAL 50 HG12 VAL 50 5.983 1.708 2.055 387 HG13 VAL 50 HG13 VAL 50 5.458 0.130 1.456 388 HG21 VAL 50 HG21 VAL 50 7.584 1.937 3.769 389 HG22 VAL 50 HG22 VAL 50 6.692 0.992 4.976 390 HG23 VAL 50 HG23 VAL 50 8.367 0.559 4.553 391 H SER 51 H SER 51 7.401 -2.543 1.465 392 HA SER 51 HA SER 51 4.938 -3.049 0.207 393 HB2 SER 51 HB1 SER 51 6.133 -4.767 -1.104 394 HB3 SER 51 HB2 SER 51 7.043 -3.258 -1.002 395 HG SER 51 HG SER 51 7.833 -5.672 -0.376 396 H GLN 52 H GLN 52 6.793 -5.206 2.387 397 HA GLN 52 HA GLN 52 4.845 -7.271 2.329 398 HB2 GLN 52 HB1 GLN 52 7.112 -6.581 4.231 399 HB3 GLN 52 HB2 GLN 52 6.063 -7.976 4.497 400 HG2 GLN 52 HG1 GLN 52 7.771 -7.453 2.011 401 HG3 GLN 52 HG2 GLN 52 8.074 -8.649 3.272 402 HE21 GLN 52 HE22 GLN 52 6.698 -8.267 0.181 403 HE22 GLN 52 HE21 GLN 52 5.617 -9.644 0.210 404 H THR 53 H THR 53 4.977 -4.362 4.470 405 HA THR 53 HA THR 53 2.903 -5.422 6.162 406 HB THR 53 HB THR 53 3.741 -2.523 5.660 407 HG1 THR 53 HG1 THR 53 4.834 -3.038 7.771 408 HG21 THR 53 HG21 THR 53 1.618 -2.663 6.947 409 HG22 THR 53 HG22 THR 53 2.912 -2.132 7.968 410 HG23 THR 53 HG23 THR 53 2.346 -3.825 8.040 411 H LEU 54 H LEU 54 2.981 -3.553 3.075 412 HA LEU 54 HA LEU 54 0.168 -2.982 3.036 413 HB2 LEU 54 HB1 LEU 54 2.315 -3.055 0.887 414 HB3 LEU 54 HB2 LEU 54 0.656 -2.535 0.566 415 HG LEU 54 HG LEU 54 2.480 -1.221 2.627 416 HD11 LEU 54 HD11 LEU 54 2.877 0.557 0.983 417 HD12 LEU 54 HD12 LEU 54 2.021 -0.400 -0.247 418 HD13 LEU 54 HD13 LEU 54 3.529 -1.002 0.466 419 HD21 LEU 54 HD21 LEU 54 0.978 0.609 2.658 420 HD22 LEU 54 HD22 LEU 54 -0.063 -0.821 2.781 421 HD23 LEU 54 HD23 LEU 54 0.093 0.003 1.247 422 H GLN 55 H GLN 55 2.096 -5.749 1.985 423 HA GLN 55 HA GLN 55 0.156 -7.040 0.415 424 HB2 GLN 55 HB1 GLN 55 2.331 -8.199 2.219 425 HB3 GLN 55 HB2 GLN 55 1.306 -9.186 1.205 426 HG2 GLN 55 HG1 GLN 55 2.315 -7.080 -0.458 427 HG3 GLN 55 HG2 GLN 55 3.663 -7.669 0.494 428 HE21 GLN 55 HE22 GLN 55 0.837 -9.212 -1.302 429 HE22 GLN 55 HE21 GLN 55 1.779 -10.548 -1.886 430 H ARG 56 H ARG 56 0.750 -7.338 3.949 431 HA ARG 56 HA ARG 56 -1.346 -9.246 4.407 432 HB2 ARG 56 HB1 ARG 56 0.128 -7.277 6.208 433 HB3 ARG 56 HB2 ARG 56 -1.205 -8.292 6.802 434 HG2 ARG 56 HG1 ARG 56 -0.056 -10.302 5.881 435 HG3 ARG 56 HG2 ARG 56 1.320 -9.317 5.398 436 HD2 ARG 56 HD1 ARG 56 2.004 -8.984 7.646 437 HD3 ARG 56 HD2 ARG 56 0.405 -9.416 8.278 438 HE ARG 56 HE ARG 56 0.772 -11.643 7.981 439 HH11 ARG 56 HH11 ARG 56 3.636 -9.940 6.636 440 HH12 ARG 56 HH12 ARG 56 4.540 -11.400 6.437 441 HH21 ARG 56 HH21 ARG 56 2.013 -13.522 7.738 442 HH22 ARG 56 HH22 ARG 56 3.558 -13.488 6.958 443 H TRP 57 H TRP 57 -1.411 -5.725 4.297 444 HA TRP 57 HA TRP 57 -4.147 -5.530 5.168 445 HB2 TRP 57 HB1 TRP 57 -2.691 -3.746 5.429 446 HB3 TRP 57 HB2 TRP 57 -2.281 -3.646 3.715 447 HD1 TRP 57 HD1 TRP 57 -4.584 -2.351 6.336 448 HE1 TRP 57 HE1 TRP 57 -6.255 -0.629 5.261 449 HE3 TRP 57 HE3 TRP 57 -3.712 -3.280 1.414 450 HZ2 TRP 57 HZ2 TRP 57 -6.950 0.248 2.675 451 HZ3 TRP 57 HZ3 TRP 57 -4.934 -2.059 -0.359 452 HH2 TRP 57 HH2 TRP 57 -6.499 -0.198 0.280 453 H LEU 58 H LEU 58 -2.611 -5.717 1.891 454 HA LEU 58 HA LEU 58 -5.083 -5.421 0.452 455 HB2 LEU 58 HB1 LEU 58 -2.317 -6.354 -0.182 456 HB3 LEU 58 HB2 LEU 58 -3.581 -6.969 -1.246 457 HG LEU 58 HG LEU 58 -3.711 -4.078 -0.606 458 HD11 LEU 58 HD11 LEU 58 -1.281 -4.415 -1.015 459 HD12 LEU 58 HD12 LEU 58 -2.021 -3.517 -2.354 460 HD13 LEU 58 HD13 LEU 58 -1.668 -5.246 -2.545 461 HD21 LEU 58 HD21 LEU 58 -4.234 -3.903 -3.063 462 HD22 LEU 58 HD22 LEU 58 -5.377 -4.754 -2.043 463 HD23 LEU 58 HD23 LEU 58 -4.266 -5.678 -3.097 464 H GLU 59 H GLU 59 -3.455 -8.208 1.901 465 HA GLU 59 HA GLU 59 -5.078 -10.235 0.747 466 HB2 GLU 59 HB1 GLU 59 -3.537 -10.020 3.356 467 HB3 GLU 59 HB2 GLU 59 -4.539 -11.405 3.037 468 HG2 GLU 59 HG1 GLU 59 -2.192 -10.490 1.337 469 HG3 GLU 59 HG2 GLU 59 -2.195 -11.803 2.508 470 H LYS 60 H LYS 60 -5.592 -8.270 3.766 471 HA LYS 60 HA LYS 60 -8.076 -9.673 4.291 472 HB2 LYS 60 HB1 LYS 60 -8.497 -8.133 6.063 473 HB3 LYS 60 HB2 LYS 60 -6.827 -8.682 6.158 474 HG2 LYS 60 HG1 LYS 60 -6.027 -6.570 5.304 475 HG3 LYS 60 HG2 LYS 60 -7.683 -5.993 5.025 476 HD2 LYS 60 HD1 LYS 60 -7.961 -6.406 7.613 477 HD3 LYS 60 HD2 LYS 60 -6.192 -6.413 7.616 478 HE2 LYS 60 HE1 LYS 60 -6.627 -4.163 8.012 479 HE3 LYS 60 HE2 LYS 60 -6.453 -4.168 6.249 480 HZ1 LYS 60 HZ1 LYS 60 -8.436 -2.979 6.821 481 HZ2 LYS 60 HZ2 LYS 60 -8.936 -4.117 7.844 482 HZ3 LYS 60 HZ3 LYS 60 -8.985 -4.451 6.256 483 H TYR 61 H TYR 61 -7.197 -6.824 2.479 484 HA TYR 61 HA TYR 61 -9.830 -5.704 2.307 485 HB2 TYR 61 HB1 TYR 61 -7.168 -5.092 1.361 486 HB3 TYR 61 HB2 TYR 61 -8.213 -5.098 -0.008 487 HD1 TYR 61 HD2 TYR 61 -8.117 -3.940 3.556 488 HD2 TYR 61 HD1 TYR 61 -9.354 -3.024 -0.469 489 HE1 TYR 61 HE2 TYR 61 -8.882 -1.725 4.315 490 HE2 TYR 61 HE1 TYR 61 -10.038 -0.751 0.263 491 HH TYR 61 HH TYR 61 -10.264 0.257 3.557 492 H HIS 62 H HIS 62 -7.896 -7.732 0.050 493 HA HIS 62 HA HIS 62 -10.368 -8.285 -1.490 494 HB2 HIS 62 HB1 HIS 62 -7.486 -9.018 -2.024 495 HB3 HIS 62 HB2 HIS 62 -8.846 -9.341 -3.113 496 HD1 HIS 62 HD1 HIS 62 -10.072 -7.157 -4.274 497 HD2 HIS 62 HD2 HIS 62 -6.644 -6.456 -1.886 498 HE1 HIS 62 HE1 HIS 62 -9.445 -4.740 -4.604 499 H ALA 63 H ALA 63 -9.382 -9.904 1.322 500 HA ALA 63 HA ALA 63 -10.873 -12.219 0.493 501 HB1 ALA 63 HB1 ALA 63 -9.175 -13.860 1.223 502 HB2 ALA 63 HB2 ALA 63 -8.734 -13.045 -0.291 503 HB3 ALA 63 HB3 ALA 63 -7.950 -12.587 1.267 Start of MODEL 6 1 H1 GLY -1 H GLY -1 -2.727 -16.740 -4.747 2 HA2 GLY -1 HA1 GLY -1 -0.397 -17.323 -4.312 3 HA3 GLY -1 HA2 GLY -1 -0.571 -16.541 -5.898 4 HA PRO 0 HA PRO 0 2.388 -14.082 -3.207 5 HB2 PRO 0 HB1 PRO 0 4.738 -14.449 -4.529 6 HB3 PRO 0 HB2 PRO 0 4.112 -15.669 -3.377 7 HG2 PRO 0 HG1 PRO 0 3.841 -15.633 -6.389 8 HG3 PRO 0 HG2 PRO 0 4.374 -16.998 -5.360 9 HD2 PRO 0 HD1 PRO 0 1.794 -16.709 -6.277 10 HD3 PRO 0 HD2 PRO 0 2.155 -17.460 -4.697 11 H MET 1 H MET 1 3.596 -12.051 -4.024 12 HA MET 1 HA MET 1 3.112 -11.196 -6.739 13 HB2 MET 1 HB1 MET 1 1.723 -9.294 -6.156 14 HB3 MET 1 HB2 MET 1 0.906 -10.777 -5.694 15 HG2 MET 1 HG1 MET 1 1.889 -10.340 -3.341 16 HG3 MET 1 HG2 MET 1 2.248 -8.719 -3.918 17 HE1 MET 1 HE1 MET 1 -0.410 -8.143 -5.833 18 HE2 MET 1 HE2 MET 1 -1.331 -7.243 -4.607 19 HE3 MET 1 HE3 MET 1 0.425 -7.009 -4.745 20 H ASN 2 H ASN 2 4.166 -8.905 -6.956 21 HA ASN 2 HA ASN 2 6.417 -8.766 -5.013 22 HB2 ASN 2 HB1 ASN 2 6.298 -8.153 -7.975 23 HB3 ASN 2 HB2 ASN 2 7.704 -7.872 -6.963 24 HD21 ASN 2 HD22 ASN 2 8.320 -9.994 -5.545 25 HD22 ASN 2 HD21 ASN 2 8.269 -11.487 -6.458 26 H ILE 3 H ILE 3 7.514 -6.507 -5.302 27 HA ILE 3 HA ILE 3 5.950 -4.651 -3.932 28 HB ILE 3 HB ILE 3 8.542 -4.449 -5.503 29 HG12 ILE 3 HG11 ILE 3 7.740 -4.697 -2.571 30 HG13 ILE 3 HG12 ILE 3 8.596 -5.884 -3.542 31 HG21 ILE 3 HG21 ILE 3 8.995 -2.284 -4.516 32 HG22 ILE 3 HG22 ILE 3 7.533 -2.177 -5.473 33 HG23 ILE 3 HG23 ILE 3 7.434 -2.286 -3.690 34 HD11 ILE 3 HD11 ILE 3 10.133 -4.880 -2.015 35 HD12 ILE 3 HD12 ILE 3 10.551 -4.319 -3.648 36 HD13 ILE 3 HD13 ILE 3 9.673 -3.247 -2.510 37 H SER 4 H SER 4 6.488 -4.839 -7.494 38 HA SER 4 HA SER 4 5.174 -2.383 -8.049 39 HB2 SER 4 HB1 SER 4 4.984 -3.499 -10.364 40 HB3 SER 4 HB2 SER 4 6.599 -3.162 -9.704 41 HG SER 4 HG SER 4 5.553 -5.486 -10.452 42 H ASP 5 H ASP 5 3.948 -5.821 -7.919 43 HA ASP 5 HA ASP 5 1.380 -5.348 -8.907 44 HB2 ASP 5 HB1 ASP 5 2.162 -7.233 -6.654 45 HB3 ASP 5 HB2 ASP 5 0.722 -7.344 -7.667 46 H ILE 6 H ILE 6 2.674 -5.110 -5.629 47 HA ILE 6 HA ILE 6 0.270 -4.577 -4.226 48 HB ILE 6 HB ILE 6 3.161 -3.829 -3.639 49 HG12 ILE 6 HG11 ILE 6 1.489 -6.067 -2.397 50 HG13 ILE 6 HG12 ILE 6 2.438 -6.324 -3.847 51 HG21 ILE 6 HG21 ILE 6 0.836 -3.845 -1.666 52 HG22 ILE 6 HG22 ILE 6 2.532 -3.520 -1.294 53 HG23 ILE 6 HG23 ILE 6 1.625 -2.385 -2.296 54 HD11 ILE 6 HD11 ILE 6 3.749 -7.076 -2.017 55 HD12 ILE 6 HD12 ILE 6 4.500 -5.610 -2.651 56 HD13 ILE 6 HD13 ILE 6 3.554 -5.540 -1.148 57 H ARG 7 H ARG 7 2.734 -2.178 -5.480 58 HA ARG 7 HA ARG 7 0.981 0.001 -4.810 59 HB2 ARG 7 HB1 ARG 7 2.277 1.406 -6.361 60 HB3 ARG 7 HB2 ARG 7 3.229 0.638 -5.095 61 HG2 ARG 7 HG1 ARG 7 4.202 -0.889 -6.671 62 HG3 ARG 7 HG2 ARG 7 3.121 -0.359 -7.971 63 HD2 ARG 7 HD1 ARG 7 4.931 1.616 -6.543 64 HD3 ARG 7 HD2 ARG 7 5.560 0.618 -7.852 65 HE ARG 7 HE ARG 7 3.803 2.913 -8.027 66 HH11 ARG 7 HH11 ARG 7 5.020 0.138 -9.812 67 HH12 ARG 7 HH12 ARG 7 4.264 0.529 -11.311 68 HH21 ARG 7 HH21 ARG 7 3.106 3.708 -10.048 69 HH22 ARG 7 HH22 ARG 7 3.289 2.773 -11.475 70 H ALA 8 H ALA 8 1.244 -2.012 -7.713 71 HA ALA 8 HA ALA 8 -0.416 -0.433 -9.373 72 HB1 ALA 8 HB1 ALA 8 1.128 -2.010 -10.288 73 HB2 ALA 8 HB2 ALA 8 0.326 -3.361 -9.463 74 HB3 ALA 8 HB3 ALA 8 -0.517 -2.483 -10.753 75 H GLY 9 H GLY 9 -1.240 -2.480 -6.664 76 HA2 GLY 9 HA1 GLY 9 -3.985 -2.962 -7.583 77 HA3 GLY 9 HA2 GLY 9 -3.255 -3.425 -6.031 78 H LEU 10 H LEU 10 -2.405 -1.356 -4.847 79 HA LEU 10 HA LEU 10 -4.521 0.009 -3.726 80 HB2 LEU 10 HB1 LEU 10 -1.729 1.133 -3.908 81 HB3 LEU 10 HB2 LEU 10 -2.930 1.558 -2.702 82 HG LEU 10 HG LEU 10 -1.803 -1.250 -2.960 83 HD11 LEU 10 HD11 LEU 10 -0.475 -0.762 -1.003 84 HD12 LEU 10 HD12 LEU 10 -1.053 0.925 -0.979 85 HD13 LEU 10 HD13 LEU 10 -0.036 0.337 -2.321 86 HD21 LEU 10 HD21 LEU 10 -3.469 0.075 -0.788 87 HD22 LEU 10 HD22 LEU 10 -2.784 -1.589 -0.753 88 HD23 LEU 10 HD23 LEU 10 -4.020 -1.166 -1.926 89 H ARG 11 H ARG 11 -2.728 1.032 -6.604 90 HA ARG 11 HA ARG 11 -3.472 3.753 -6.620 91 HB2 ARG 11 HB1 ARG 11 -3.021 3.767 -8.979 92 HB3 ARG 11 HB2 ARG 11 -1.861 2.720 -8.176 93 HG2 ARG 11 HG1 ARG 11 -3.458 0.785 -8.837 94 HG3 ARG 11 HG2 ARG 11 -4.190 1.927 -9.962 95 HD2 ARG 11 HD1 ARG 11 -1.232 1.285 -9.870 96 HD3 ARG 11 HD2 ARG 11 -2.368 0.377 -10.863 97 HE ARG 11 HE ARG 11 -2.900 2.493 -12.002 98 HH11 ARG 11 HH11 ARG 11 0.408 2.000 -10.652 99 HH12 ARG 11 HH12 ARG 11 1.157 2.618 -12.097 100 HH21 ARG 11 HH21 ARG 11 -1.833 3.585 -13.614 101 HH22 ARG 11 HH22 ARG 11 -0.086 3.460 -13.818 102 H THR 12 H THR 12 -5.304 0.915 -7.889 103 HA THR 12 HA THR 12 -7.555 2.220 -8.833 104 HB THR 12 HB THR 12 -7.662 -0.436 -7.359 105 HG1 THR 12 HG1 THR 12 -5.959 -0.950 -8.392 106 HG21 THR 12 HG21 THR 12 -9.099 -1.096 -9.179 107 HG22 THR 12 HG22 THR 12 -8.815 0.447 -10.030 108 HG23 THR 12 HG23 THR 12 -9.701 0.419 -8.492 109 H LEU 13 H LEU 13 -6.898 0.899 -5.591 110 HA LEU 13 HA LEU 13 -9.328 1.433 -4.338 111 HB2 LEU 13 HB1 LEU 13 -6.524 0.895 -3.523 112 HB3 LEU 13 HB2 LEU 13 -7.474 1.695 -2.307 113 HG LEU 13 HG LEU 13 -8.869 -0.096 -1.925 114 HD11 LEU 13 HD11 LEU 13 -8.096 -1.312 -4.607 115 HD12 LEU 13 HD12 LEU 13 -9.704 -0.664 -4.147 116 HD13 LEU 13 HD13 LEU 13 -9.083 -2.108 -3.359 117 HD21 LEU 13 HD21 LEU 13 -6.389 -0.505 -1.454 118 HD22 LEU 13 HD22 LEU 13 -6.381 -1.560 -2.881 119 HD23 LEU 13 HD23 LEU 13 -7.435 -1.944 -1.508 120 H VAL 14 H VAL 14 -6.585 3.743 -4.793 121 HA VAL 14 HA VAL 14 -8.070 5.603 -3.030 122 HB VAL 14 HB VAL 14 -6.291 7.205 -3.445 123 HG11 VAL 14 HG11 VAL 14 -5.346 4.460 -2.565 124 HG12 VAL 14 HG12 VAL 14 -4.663 6.050 -2.090 125 HG13 VAL 14 HG13 VAL 14 -6.296 5.587 -1.571 126 HG21 VAL 14 HG21 VAL 14 -5.554 6.474 -5.703 127 HG22 VAL 14 HG22 VAL 14 -4.232 6.608 -4.539 128 HG23 VAL 14 HG23 VAL 14 -4.855 5.005 -4.975 129 H GLU 15 H GLU 15 -7.939 4.984 -6.458 130 HA GLU 15 HA GLU 15 -9.035 7.568 -7.242 131 HB2 GLU 15 HB1 GLU 15 -9.061 4.832 -8.579 132 HB3 GLU 15 HB2 GLU 15 -9.561 6.327 -9.374 133 HG2 GLU 15 HG1 GLU 15 -6.802 5.635 -8.359 134 HG3 GLU 15 HG2 GLU 15 -7.286 5.557 -10.020 135 H ASN 16 H ASN 16 -10.270 4.403 -6.261 136 HA ASN 16 HA ASN 16 -13.094 5.042 -6.795 137 HB2 ASN 16 HB1 ASN 16 -11.567 2.640 -5.712 138 HB3 ASN 16 HB2 ASN 16 -13.329 2.716 -5.733 139 HD21 ASN 16 HD22 ASN 16 -11.489 4.038 -8.481 140 HD22 ASN 16 HD21 ASN 16 -11.977 2.736 -9.564 141 H GLU 17 H GLU 17 -11.018 5.903 -4.295 142 HA GLU 17 HA GLU 17 -11.230 6.453 -2.134 143 HB2 GLU 17 HB1 GLU 17 -14.159 6.859 -2.808 144 HB3 GLU 17 HB2 GLU 17 -13.302 7.451 -1.379 145 HG2 GLU 17 HG1 GLU 17 -11.721 8.685 -2.944 146 HG3 GLU 17 HG2 GLU 17 -12.805 8.252 -4.269 147 H GLU 18 H GLU 18 -11.412 3.669 -2.804 148 HA GLU 18 HA GLU 18 -13.222 2.194 -1.146 149 HB2 GLU 18 HB1 GLU 18 -10.452 1.550 -2.221 150 HB3 GLU 18 HB2 GLU 18 -11.505 0.350 -1.508 151 HG2 GLU 18 HG1 GLU 18 -12.759 1.903 -3.713 152 HG3 GLU 18 HG2 GLU 18 -11.351 0.993 -4.193 153 H THR 19 H THR 19 -10.637 4.183 -0.397 154 HA THR 19 HA THR 19 -10.641 3.945 2.386 155 HB THR 19 HB THR 19 -9.451 1.814 1.957 156 HG1 THR 19 HG1 THR 19 -8.545 2.337 3.692 157 HG21 THR 19 HG21 THR 19 -7.410 3.497 0.470 158 HG22 THR 19 HG22 THR 19 -8.459 2.242 -0.223 159 HG23 THR 19 HG23 THR 19 -7.214 1.795 0.947 160 H THR 20 H THR 20 -8.198 5.138 2.892 161 HA THR 20 HA THR 20 -7.754 7.385 1.008 162 HB THR 20 HB THR 20 -7.417 8.732 3.260 163 HG1 THR 20 HG1 THR 20 -9.529 7.079 4.095 164 HG21 THR 20 HG21 THR 20 -9.625 9.685 3.228 165 HG22 THR 20 HG22 THR 20 -10.194 8.355 2.178 166 HG23 THR 20 HG23 THR 20 -8.924 9.489 1.621 167 H PHE 21 H PHE 21 -5.599 8.387 1.529 168 HA PHE 21 HA PHE 21 -3.640 6.390 2.127 169 HB2 PHE 21 HB1 PHE 21 -3.556 9.420 2.239 170 HB3 PHE 21 HB2 PHE 21 -2.116 8.412 2.488 171 HD1 PHE 21 HD2 PHE 21 -1.697 6.567 0.607 172 HD2 PHE 21 HD1 PHE 21 -3.983 10.194 0.052 173 HE1 PHE 21 HE2 PHE 21 -1.397 6.391 -1.852 174 HE2 PHE 21 HE1 PHE 21 -3.642 10.036 -2.364 175 HZ PHE 21 HZ PHE 21 -2.391 8.093 -3.366 176 H LYS 22 H LYS 22 -5.344 8.755 4.213 177 HA LYS 22 HA LYS 22 -3.757 8.232 6.573 178 HB2 LYS 22 HB1 LYS 22 -6.568 9.369 6.231 179 HB3 LYS 22 HB2 LYS 22 -5.762 9.134 7.787 180 HG2 LYS 22 HG1 LYS 22 -3.903 10.624 7.069 181 HG3 LYS 22 HG2 LYS 22 -4.789 10.952 5.565 182 HD2 LYS 22 HD1 LYS 22 -5.312 12.751 7.058 183 HD3 LYS 22 HD2 LYS 22 -6.740 11.710 6.974 184 HE2 LYS 22 HE1 LYS 22 -5.836 10.589 9.137 185 HE3 LYS 22 HE2 LYS 22 -4.724 11.960 9.232 186 HZ1 LYS 22 HZ1 LYS 22 -6.698 12.385 10.509 187 HZ2 LYS 22 HZ2 LYS 22 -7.666 12.022 9.232 188 HZ3 LYS 22 HZ3 LYS 22 -6.739 13.393 9.193 189 H GLN 23 H GLN 23 -6.891 6.838 5.383 190 HA GLN 23 HA GLN 23 -7.212 5.228 7.709 191 HB2 GLN 23 HB1 GLN 23 -9.026 5.830 6.112 192 HB3 GLN 23 HB2 GLN 23 -8.314 4.742 4.919 193 HG2 GLN 23 HG1 GLN 23 -10.106 3.568 6.027 194 HG3 GLN 23 HG2 GLN 23 -8.580 2.878 6.571 195 HE21 GLN 23 HE22 GLN 23 -9.446 2.063 8.463 196 HE22 GLN 23 HE21 GLN 23 -9.973 3.066 9.828 197 H ILE 24 H ILE 24 -5.642 4.588 4.504 198 HA ILE 24 HA ILE 24 -5.011 1.865 5.028 199 HB ILE 24 HB ILE 24 -3.479 3.933 3.388 200 HG12 ILE 24 HG11 ILE 24 -5.193 1.627 2.383 201 HG13 ILE 24 HG12 ILE 24 -5.796 3.263 2.605 202 HG21 ILE 24 HG21 ILE 24 -1.924 2.108 4.059 203 HG22 ILE 24 HG22 ILE 24 -3.126 0.903 3.588 204 HG23 ILE 24 HG23 ILE 24 -2.318 1.906 2.365 205 HD11 ILE 24 HD11 ILE 24 -4.096 4.144 1.038 206 HD12 ILE 24 HD12 ILE 24 -3.562 2.477 0.700 207 HD13 ILE 24 HD13 ILE 24 -5.190 2.980 0.276 208 H ALA 25 H ALA 25 -3.222 4.943 5.777 209 HA ALA 25 HA ALA 25 -1.004 3.705 7.035 210 HB1 ALA 25 HB1 ALA 25 -1.138 6.148 6.375 211 HB2 ALA 25 HB2 ALA 25 -2.313 6.419 7.659 212 HB3 ALA 25 HB3 ALA 25 -0.672 5.951 8.073 213 H LEU 26 H LEU 26 -4.180 4.663 8.323 214 HA LEU 26 HA LEU 26 -3.611 4.202 11.005 215 HB2 LEU 26 HB1 LEU 26 -5.600 5.432 10.195 216 HB3 LEU 26 HB2 LEU 26 -6.307 3.908 9.653 217 HG LEU 26 HG LEU 26 -6.249 3.042 11.960 218 HD11 LEU 26 HD11 LEU 26 -5.804 4.644 13.844 219 HD12 LEU 26 HD12 LEU 26 -5.114 5.773 12.654 220 HD13 LEU 26 HD13 LEU 26 -4.372 4.187 12.973 221 HD21 LEU 26 HD21 LEU 26 -8.250 4.167 11.140 222 HD22 LEU 26 HD22 LEU 26 -7.615 5.717 11.704 223 HD23 LEU 26 HD23 LEU 26 -8.035 4.448 12.876 224 H GLU 27 H GLU 27 -5.192 2.011 8.657 225 HA GLU 27 HA GLU 27 -5.325 -0.234 10.453 226 HB2 GLU 27 HB1 GLU 27 -5.634 0.016 7.438 227 HB3 GLU 27 HB2 GLU 27 -5.946 -1.458 8.381 228 HG2 GLU 27 HG1 GLU 27 -7.689 -0.387 9.652 229 HG3 GLU 27 HG2 GLU 27 -7.362 1.181 8.901 230 H SER 28 H SER 28 -3.006 0.606 7.819 231 HA SER 28 HA SER 28 -1.658 -1.966 7.972 232 HB2 SER 28 HB1 SER 28 -0.054 -0.928 6.439 233 HB3 SER 28 HB2 SER 28 -1.698 -0.531 5.933 234 HG SER 28 HG SER 28 -1.510 1.449 6.654 235 H GLY 29 H GLY 29 -1.292 1.166 9.510 236 HA2 GLY 29 HA1 GLY 29 -0.171 1.479 11.625 237 HA3 GLY 29 HA2 GLY 29 0.853 0.085 11.292 238 H LEU 30 H LEU 30 0.739 1.648 8.387 239 HA LEU 30 HA LEU 30 3.433 2.766 8.594 240 HB2 LEU 30 HB1 LEU 30 1.356 2.791 6.350 241 HB3 LEU 30 HB2 LEU 30 3.039 3.263 6.156 242 HG LEU 30 HG LEU 30 2.174 0.455 6.919 243 HD11 LEU 30 HD11 LEU 30 2.752 -0.052 4.525 244 HD12 LEU 30 HD12 LEU 30 2.843 1.700 4.229 245 HD13 LEU 30 HD13 LEU 30 1.317 0.959 4.733 246 HD21 LEU 30 HD21 LEU 30 4.475 0.974 7.625 247 HD22 LEU 30 HD22 LEU 30 4.851 1.616 6.016 248 HD23 LEU 30 HD23 LEU 30 4.508 -0.110 6.235 249 H SER 31 H SER 31 3.457 4.955 7.071 250 HA SER 31 HA SER 31 1.843 7.000 8.525 251 HB2 SER 31 HB1 SER 31 4.067 7.570 8.931 252 HB3 SER 31 HB2 SER 31 4.635 6.935 7.386 253 HG SER 31 HG SER 31 3.813 9.437 8.038 254 H THR 32 H THR 32 0.801 8.583 7.261 255 HA THR 32 HA THR 32 -0.368 7.783 4.863 256 HB THR 32 HB THR 32 0.065 10.665 5.692 257 HG1 THR 32 HG1 THR 32 -1.349 10.459 7.365 258 HG21 THR 32 HG21 THR 32 -2.352 9.115 4.813 259 HG22 THR 32 HG22 THR 32 -1.394 10.190 3.779 260 HG23 THR 32 HG23 THR 32 -2.342 10.855 5.125 261 H GLY 33 H GLY 33 2.597 9.615 5.558 262 HA2 GLY 33 HA1 GLY 33 3.085 10.713 2.985 263 HA3 GLY 33 HA2 GLY 33 4.265 10.415 4.271 264 H THR 34 H THR 34 4.316 7.814 4.687 265 HA THR 34 HA THR 34 5.991 6.713 2.850 266 HB THR 34 HB THR 34 4.149 5.368 4.864 267 HG1 THR 34 HG1 THR 34 5.902 5.632 6.215 268 HG21 THR 34 HG21 THR 34 5.794 3.593 4.980 269 HG22 THR 34 HG22 THR 34 6.755 4.378 3.712 270 HG23 THR 34 HG23 THR 34 5.150 3.722 3.338 271 H ILE 35 H ILE 35 2.484 5.791 3.223 272 HA ILE 35 HA ILE 35 2.433 3.889 1.196 273 HB ILE 35 HB ILE 35 0.287 5.799 2.131 274 HG12 ILE 35 HG11 ILE 35 0.428 2.915 3.000 275 HG13 ILE 35 HG12 ILE 35 1.597 4.003 3.723 276 HG21 ILE 35 HG21 ILE 35 -0.447 4.687 0.004 277 HG22 ILE 35 HG22 ILE 35 -0.034 3.107 0.682 278 HG23 ILE 35 HG23 ILE 35 -1.357 4.059 1.375 279 HD11 ILE 35 HD11 ILE 35 -0.150 5.533 4.451 280 HD12 ILE 35 HD12 ILE 35 -1.386 4.504 3.719 281 HD13 ILE 35 HD13 ILE 35 -0.398 3.877 5.057 282 H SER 36 H SER 36 1.491 7.368 0.754 283 HA SER 36 HA SER 36 1.099 6.966 -2.060 284 HB2 SER 36 HB1 SER 36 0.292 8.926 -0.598 285 HB3 SER 36 HB2 SER 36 1.899 9.625 -0.884 286 HG SER 36 HG SER 36 0.867 10.364 -2.589 287 H SER 37 H SER 37 4.069 7.686 -0.151 288 HA SER 37 HA SER 37 5.612 8.410 -2.464 289 HB2 SER 37 HB1 SER 37 5.931 9.022 -0.008 290 HB3 SER 37 HB2 SER 37 6.646 7.424 0.215 291 HG SER 37 HG SER 37 7.873 9.541 -0.434 292 H PHE 38 H PHE 38 4.768 5.341 -0.873 293 HA PHE 38 HA PHE 38 6.685 3.648 -2.167 294 HB2 PHE 38 HB1 PHE 38 5.276 2.928 -0.185 295 HB3 PHE 38 HB2 PHE 38 3.854 3.034 -1.151 296 HD1 PHE 38 HD1 PHE 38 7.002 1.145 -0.634 297 HD2 PHE 38 HD2 PHE 38 3.185 1.292 -2.642 298 HE1 PHE 38 HE1 PHE 38 7.235 -1.248 -1.270 299 HE2 PHE 38 HE2 PHE 38 3.444 -1.083 -3.311 300 HZ PHE 38 HZ PHE 38 5.439 -2.347 -2.656 301 H ILE 39 H ILE 39 3.234 4.404 -2.804 302 HA ILE 39 HA ILE 39 3.100 2.975 -5.224 303 HB ILE 39 HB ILE 39 1.366 5.247 -4.200 304 HG12 ILE 39 HG11 ILE 39 0.816 2.232 -4.141 305 HG13 ILE 39 HG12 ILE 39 1.601 3.048 -2.795 306 HG21 ILE 39 HG21 ILE 39 0.926 3.203 -6.425 307 HG22 ILE 39 HG22 ILE 39 -0.348 4.259 -5.786 308 HG23 ILE 39 HG23 ILE 39 1.043 4.960 -6.606 309 HD11 ILE 39 HD11 ILE 39 -0.308 4.597 -2.591 310 HD12 ILE 39 HD12 ILE 39 -1.185 3.643 -3.814 311 HD13 ILE 39 HD13 ILE 39 -0.693 2.901 -2.277 312 H ASN 40 H ASN 40 3.870 6.431 -4.670 313 HA ASN 40 HA ASN 40 4.050 6.999 -7.516 314 HB2 ASN 40 HB1 ASN 40 4.893 8.452 -4.982 315 HB3 ASN 40 HB2 ASN 40 5.462 8.998 -6.549 316 HD21 ASN 40 HD22 ASN 40 2.436 8.410 -4.708 317 HD22 ASN 40 HD21 ASN 40 1.440 9.372 -5.798 318 H ASP 41 H ASP 41 5.978 5.032 -5.573 319 HA ASP 41 HA ASP 41 8.017 4.200 -5.610 320 HB2 ASP 41 HB1 ASP 41 7.236 3.398 -7.792 321 HB3 ASP 41 HB2 ASP 41 7.919 4.835 -8.566 322 H LYS 42 H LYS 42 8.042 6.452 -4.452 323 HA LYS 42 HA LYS 42 10.520 7.893 -5.288 324 HB2 LYS 42 HB1 LYS 42 7.852 8.981 -4.319 325 HB3 LYS 42 HB2 LYS 42 9.327 9.897 -4.047 326 HG2 LYS 42 HG1 LYS 42 8.430 8.995 -6.811 327 HG3 LYS 42 HG2 LYS 42 8.039 10.560 -6.097 328 HD2 LYS 42 HD1 LYS 42 10.461 11.055 -5.821 329 HD3 LYS 42 HD2 LYS 42 10.867 9.529 -6.637 330 HE2 LYS 42 HE1 LYS 42 9.787 10.243 -8.681 331 HE3 LYS 42 HE2 LYS 42 9.146 11.694 -7.893 332 HZ1 LYS 42 HZ1 LYS 42 11.418 12.452 -7.592 333 HZ2 LYS 42 HZ2 LYS 42 11.095 12.167 -9.194 334 HZ3 LYS 42 HZ3 LYS 42 12.002 11.102 -8.348 335 H TYR 43 H TYR 43 8.810 6.144 -2.830 336 HA TYR 43 HA TYR 43 10.121 7.396 -0.610 337 HB2 TYR 43 HB1 TYR 43 8.043 5.922 -0.571 338 HB3 TYR 43 HB2 TYR 43 9.108 4.552 -0.761 339 HD1 TYR 43 HD1 TYR 43 8.686 7.656 1.382 340 HD2 TYR 43 HD2 TYR 43 9.835 3.492 1.213 341 HE1 TYR 43 HE1 TYR 43 8.656 7.548 3.849 342 HE2 TYR 43 HE2 TYR 43 9.694 3.355 3.642 343 HH TYR 43 HH TYR 43 8.986 6.160 5.760 344 H ASN 44 H ASN 44 12.105 6.752 0.360 345 HA ASN 44 HA ASN 44 13.590 4.481 -0.855 346 HB2 ASN 44 HB1 ASN 44 14.742 7.294 -0.568 347 HB3 ASN 44 HB2 ASN 44 15.629 5.836 -0.986 348 HD21 ASN 44 HD22 ASN 44 14.054 4.690 -3.182 349 HD22 ASN 44 HD21 ASN 44 14.281 5.890 -4.410 350 H GLY 45 H GLY 45 13.039 3.479 1.233 351 HA2 GLY 45 HA1 GLY 45 14.976 3.735 3.230 352 HA3 GLY 45 HA2 GLY 45 13.664 4.815 3.727 353 H ASP 46 H ASP 46 14.556 1.489 3.055 354 HA ASP 46 HA ASP 46 13.721 -0.504 3.661 355 HB2 ASP 46 HB1 ASP 46 12.682 1.182 5.955 356 HB3 ASP 46 HB2 ASP 46 12.227 -0.510 5.822 357 H ASN 47 H ASN 47 12.637 0.296 1.516 358 HA ASN 47 HA ASN 47 9.786 0.643 1.451 359 HB2 ASN 47 HB1 ASN 47 11.730 -0.295 -0.700 360 HB3 ASN 47 HB2 ASN 47 10.019 0.003 -0.967 361 HD21 ASN 47 HD22 ASN 47 10.097 1.866 -2.374 362 HD22 ASN 47 HD21 ASN 47 10.938 3.296 -1.880 363 H GLU 48 H GLU 48 11.884 -2.228 1.508 364 HA GLU 48 HA GLU 48 9.901 -4.102 0.632 365 HB2 GLU 48 HB1 GLU 48 12.273 -4.615 2.472 366 HB3 GLU 48 HB2 GLU 48 11.340 -5.815 1.562 367 HG2 GLU 48 HG1 GLU 48 12.031 -4.442 -0.547 368 HG3 GLU 48 HG2 GLU 48 13.247 -3.697 0.506 369 H ARG 49 H ARG 49 10.715 -2.697 3.780 370 HA ARG 49 HA ARG 49 9.017 -4.445 5.322 371 HB2 ARG 49 HB1 ARG 49 10.905 -3.086 6.215 372 HB3 ARG 49 HB2 ARG 49 9.980 -1.603 5.939 373 HG2 ARG 49 HG1 ARG 49 8.327 -2.205 7.565 374 HG3 ARG 49 HG2 ARG 49 8.929 -3.867 7.684 375 HD2 ARG 49 HD1 ARG 49 10.609 -1.439 8.442 376 HD3 ARG 49 HD2 ARG 49 9.556 -2.307 9.567 377 HE ARG 49 HE ARG 49 11.690 -3.732 8.037 378 HH11 ARG 49 HH11 ARG 49 10.431 -2.697 11.181 379 HH12 ARG 49 HH12 ARG 49 11.416 -3.812 12.085 380 HH21 ARG 49 HH21 ARG 49 12.923 -5.267 9.215 381 HH22 ARG 49 HH22 ARG 49 12.819 -5.371 10.928 382 H VAL 50 H VAL 50 8.534 -1.419 3.515 383 HA VAL 50 HA VAL 50 5.885 -0.897 4.490 384 HB VAL 50 HB VAL 50 7.277 0.035 1.940 385 HG11 VAL 50 HG11 VAL 50 4.724 1.017 3.252 386 HG12 VAL 50 HG12 VAL 50 5.553 1.794 1.891 387 HG13 VAL 50 HG13 VAL 50 4.845 0.198 1.677 388 HG21 VAL 50 HG21 VAL 50 6.849 1.406 4.627 389 HG22 VAL 50 HG22 VAL 50 8.390 0.791 4.014 390 HG23 VAL 50 HG23 VAL 50 7.598 2.123 3.182 391 H SER 51 H SER 51 7.102 -2.538 1.425 392 HA SER 51 HA SER 51 4.558 -3.180 0.469 393 HB2 SER 51 HB1 SER 51 5.760 -5.121 -0.683 394 HB3 SER 51 HB2 SER 51 6.302 -3.476 -1.022 395 HG SER 51 HG SER 51 7.600 -5.548 0.240 396 H GLN 52 H GLN 52 6.578 -5.097 2.768 397 HA GLN 52 HA GLN 52 4.723 -7.241 2.972 398 HB2 GLN 52 HB1 GLN 52 6.831 -6.114 4.869 399 HB3 GLN 52 HB2 GLN 52 5.799 -7.468 5.339 400 HG2 GLN 52 HG1 GLN 52 7.675 -7.429 2.953 401 HG3 GLN 52 HG2 GLN 52 7.908 -8.305 4.467 402 HE21 GLN 52 HE22 GLN 52 6.679 -8.583 1.324 403 HE22 GLN 52 HE21 GLN 52 5.749 -10.058 1.551 404 H THR 53 H THR 53 4.724 -4.087 4.620 405 HA THR 53 HA THR 53 2.619 -4.868 6.447 406 HB THR 53 HB THR 53 3.205 -2.022 5.534 407 HG1 THR 53 HG1 THR 53 5.193 -2.932 6.208 408 HG21 THR 53 HG21 THR 53 2.317 -3.277 8.165 409 HG22 THR 53 HG22 THR 53 1.244 -2.486 7.018 410 HG23 THR 53 HG23 THR 53 2.480 -1.531 7.845 411 H LEU 54 H LEU 54 2.733 -3.353 3.197 412 HA LEU 54 HA LEU 54 -0.072 -2.731 3.063 413 HB2 LEU 54 HB1 LEU 54 2.020 -3.147 0.902 414 HB3 LEU 54 HB2 LEU 54 0.388 -2.547 0.596 415 HG LEU 54 HG LEU 54 2.382 -1.145 2.433 416 HD11 LEU 54 HD11 LEU 54 3.290 -1.143 0.181 417 HD12 LEU 54 HD12 LEU 54 2.698 0.474 0.596 418 HD13 LEU 54 HD13 LEU 54 1.749 -0.571 -0.479 419 HD21 LEU 54 HD21 LEU 54 -0.186 -0.120 1.190 420 HD22 LEU 54 HD22 LEU 54 0.926 0.794 2.224 421 HD23 LEU 54 HD23 LEU 54 0.011 -0.565 2.888 422 H GLN 55 H GLN 55 1.870 -5.582 2.153 423 HA GLN 55 HA GLN 55 -0.095 -7.054 0.800 424 HB2 GLN 55 HB1 GLN 55 2.202 -7.948 2.609 425 HB3 GLN 55 HB2 GLN 55 1.171 -9.089 1.765 426 HG2 GLN 55 HG1 GLN 55 2.043 -7.058 -0.120 427 HG3 GLN 55 HG2 GLN 55 3.443 -7.660 0.766 428 HE21 GLN 55 HE22 GLN 55 0.425 -9.202 -0.736 429 HE22 GLN 55 HE21 GLN 55 1.338 -10.528 -1.374 430 H ARG 56 H ARG 56 0.667 -7.191 4.314 431 HA ARG 56 HA ARG 56 -1.360 -8.971 5.100 432 HB2 ARG 56 HB1 ARG 56 0.019 -6.624 6.474 433 HB3 ARG 56 HB2 ARG 56 -1.174 -7.618 7.308 434 HG2 ARG 56 HG1 ARG 56 0.126 -9.640 6.939 435 HG3 ARG 56 HG2 ARG 56 1.293 -8.763 5.918 436 HD2 ARG 56 HD1 ARG 56 1.888 -7.334 7.838 437 HD3 ARG 56 HD2 ARG 56 0.751 -8.244 8.863 438 HE ARG 56 HE ARG 56 2.441 -10.126 7.663 439 HH11 ARG 56 HH11 ARG 56 2.688 -7.398 9.902 440 HH12 ARG 56 HH12 ARG 56 3.925 -8.127 10.877 441 HH21 ARG 56 HH21 ARG 56 4.168 -11.032 8.903 442 HH22 ARG 56 HH22 ARG 56 5.099 -10.094 10.008 443 H TRP 57 H TRP 57 -1.626 -5.584 4.377 444 HA TRP 57 HA TRP 57 -4.337 -5.353 5.505 445 HB2 TRP 57 HB1 TRP 57 -2.753 -3.472 5.624 446 HB3 TRP 57 HB2 TRP 57 -2.602 -3.464 3.875 447 HD1 TRP 57 HD1 TRP 57 -5.049 -2.465 6.646 448 HE1 TRP 57 HE1 TRP 57 -6.949 -1.102 5.653 449 HE3 TRP 57 HE3 TRP 57 -3.972 -3.149 1.751 450 HZ2 TRP 57 HZ2 TRP 57 -7.640 -0.041 2.975 451 HZ3 TRP 57 HZ3 TRP 57 -5.263 -2.092 -0.016 452 HH2 TRP 57 HH2 TRP 57 -7.174 -0.512 0.595 453 H LEU 58 H LEU 58 -2.848 -5.439 2.209 454 HA LEU 58 HA LEU 58 -5.281 -5.409 0.763 455 HB2 LEU 58 HB1 LEU 58 -2.471 -6.292 0.215 456 HB3 LEU 58 HB2 LEU 58 -3.707 -6.796 -0.929 457 HG LEU 58 HG LEU 58 -3.268 -3.923 -0.131 458 HD11 LEU 58 HD11 LEU 58 -1.976 -3.671 -2.226 459 HD12 LEU 58 HD12 LEU 58 -2.169 -5.405 -2.551 460 HD13 LEU 58 HD13 LEU 58 -1.210 -4.866 -1.154 461 HD21 LEU 58 HD21 LEU 58 -5.429 -4.200 -1.134 462 HD22 LEU 58 HD22 LEU 58 -4.736 -5.163 -2.468 463 HD23 LEU 58 HD23 LEU 58 -4.378 -3.441 -2.330 464 H GLU 59 H GLU 59 -3.515 -8.119 2.233 465 HA GLU 59 HA GLU 59 -4.852 -10.276 1.027 466 HB2 GLU 59 HB1 GLU 59 -3.491 -9.881 3.713 467 HB3 GLU 59 HB2 GLU 59 -4.312 -11.401 3.341 468 HG2 GLU 59 HG1 GLU 59 -2.932 -11.771 1.375 469 HG3 GLU 59 HG2 GLU 59 -2.143 -10.217 1.566 470 H LYS 60 H LYS 60 -5.849 -8.330 3.896 471 HA LYS 60 HA LYS 60 -8.292 -9.951 4.121 472 HB2 LYS 60 HB1 LYS 60 -8.838 -8.560 6.021 473 HB3 LYS 60 HB2 LYS 60 -7.201 -9.223 6.130 474 HG2 LYS 60 HG1 LYS 60 -6.190 -7.163 5.592 475 HG3 LYS 60 HG2 LYS 60 -7.737 -6.379 5.221 476 HD2 LYS 60 HD1 LYS 60 -8.387 -6.256 7.452 477 HD3 LYS 60 HD2 LYS 60 -7.301 -7.544 7.980 478 HE2 LYS 60 HE1 LYS 60 -6.279 -4.925 6.834 479 HE3 LYS 60 HE2 LYS 60 -6.637 -5.131 8.557 480 HZ1 LYS 60 HZ1 LYS 60 -5.080 -6.908 8.684 481 HZ2 LYS 60 HZ2 LYS 60 -4.342 -5.581 8.144 482 HZ3 LYS 60 HZ3 LYS 60 -4.687 -6.828 7.080 483 H TYR 61 H TYR 61 -7.326 -6.863 2.704 484 HA TYR 61 HA TYR 61 -9.980 -5.838 2.411 485 HB2 TYR 61 HB1 TYR 61 -7.353 -4.880 1.904 486 HB3 TYR 61 HB2 TYR 61 -8.158 -4.852 0.355 487 HD1 TYR 61 HD2 TYR 61 -8.436 -3.728 3.907 488 HD2 TYR 61 HD1 TYR 61 -9.724 -3.113 -0.174 489 HE1 TYR 61 HE2 TYR 61 -9.479 -1.611 4.586 490 HE2 TYR 61 HE1 TYR 61 -10.807 -1.003 0.472 491 HH TYR 61 HH TYR 61 -11.246 0.504 2.200 492 H HIS 62 H HIS 62 -7.760 -7.235 -0.093 493 HA HIS 62 HA HIS 62 -9.934 -7.560 -1.977 494 HB2 HIS 62 HB1 HIS 62 -7.001 -8.326 -1.954 495 HB3 HIS 62 HB2 HIS 62 -8.080 -8.857 -3.237 496 HD1 HIS 62 HD1 HIS 62 -8.499 -7.126 -5.178 497 HD2 HIS 62 HD2 HIS 62 -7.140 -5.460 -1.555 498 HE1 HIS 62 HE1 HIS 62 -8.197 -4.638 -5.596 499 H ALA 63 H ALA 63 -8.424 -9.789 0.344 500 HA ALA 63 HA ALA 63 -8.700 -11.987 0.754 501 HB1 ALA 63 HB1 ALA 63 -11.603 -11.271 0.187 502 HB2 ALA 63 HB2 ALA 63 -11.009 -12.595 1.224 503 HB3 ALA 63 HB3 ALA 63 -10.737 -10.909 1.691 Start of MODEL 7 1 H1 GLY -1 H GLY -1 -2.246 -12.963 -3.954 2 HA2 GLY -1 HA1 GLY -1 -1.006 -15.337 -2.687 3 HA3 GLY -1 HA2 GLY -1 -1.205 -15.168 -4.439 4 HA PRO 0 HA PRO 0 3.018 -13.670 -3.273 5 HB2 PRO 0 HB1 PRO 0 4.312 -14.956 -5.361 6 HB3 PRO 0 HB2 PRO 0 4.008 -15.688 -3.761 7 HG2 PRO 0 HG1 PRO 0 2.387 -16.003 -6.294 8 HG3 PRO 0 HG2 PRO 0 2.909 -17.276 -5.151 9 HD2 PRO 0 HD1 PRO 0 0.424 -16.253 -5.053 10 HD3 PRO 0 HD2 PRO 0 1.302 -16.629 -3.550 11 H MET 1 H MET 1 3.621 -11.681 -4.022 12 HA MET 1 HA MET 1 3.219 -10.967 -6.829 13 HB2 MET 1 HB1 MET 1 1.673 -9.235 -6.483 14 HB3 MET 1 HB2 MET 1 1.032 -10.538 -5.506 15 HG2 MET 1 HG1 MET 1 2.386 -9.420 -3.568 16 HG3 MET 1 HG2 MET 1 2.416 -8.009 -4.614 17 HE1 MET 1 HE1 MET 1 -0.656 -8.381 -5.940 18 HE2 MET 1 HE2 MET 1 -1.525 -7.274 -4.856 19 HE3 MET 1 HE3 MET 1 0.076 -6.826 -5.477 20 H ASN 2 H ASN 2 4.497 -9.123 -7.405 21 HA ASN 2 HA ASN 2 6.817 -8.697 -5.600 22 HB2 ASN 2 HB1 ASN 2 6.244 -8.162 -8.534 23 HB3 ASN 2 HB2 ASN 2 7.530 -7.295 -7.716 24 HD21 ASN 2 HD22 ASN 2 6.614 -10.744 -7.076 25 HD22 ASN 2 HD21 ASN 2 8.058 -11.377 -7.813 26 H ILE 3 H ILE 3 7.674 -6.331 -5.502 27 HA ILE 3 HA ILE 3 5.813 -4.757 -4.153 28 HB ILE 3 HB ILE 3 8.330 -3.731 -5.533 29 HG12 ILE 3 HG11 ILE 3 7.865 -5.065 -2.841 30 HG13 ILE 3 HG12 ILE 3 9.012 -5.523 -4.104 31 HG21 ILE 3 HG21 ILE 3 6.877 -2.647 -3.123 32 HG22 ILE 3 HG22 ILE 3 8.250 -1.905 -3.965 33 HG23 ILE 3 HG23 ILE 3 6.686 -1.992 -4.760 34 HD11 ILE 3 HD11 ILE 3 10.280 -3.396 -3.616 35 HD12 ILE 3 HD12 ILE 3 9.202 -3.158 -2.210 36 HD13 ILE 3 HD13 ILE 3 10.249 -4.583 -2.293 37 H SER 4 H SER 4 6.708 -4.639 -7.601 38 HA SER 4 HA SER 4 5.293 -2.372 -8.405 39 HB2 SER 4 HB1 SER 4 5.251 -3.550 -10.646 40 HB3 SER 4 HB2 SER 4 6.833 -3.484 -9.864 41 HG SER 4 HG SER 4 5.049 -5.712 -9.900 42 H ASP 5 H ASP 5 3.974 -5.540 -7.544 43 HA ASP 5 HA ASP 5 1.402 -5.071 -8.889 44 HB2 ASP 5 HB1 ASP 5 2.447 -7.266 -7.076 45 HB3 ASP 5 HB2 ASP 5 0.834 -7.241 -7.776 46 H ILE 6 H ILE 6 2.809 -4.789 -5.675 47 HA ILE 6 HA ILE 6 0.361 -4.609 -4.206 48 HB ILE 6 HB ILE 6 3.084 -3.391 -3.570 49 HG12 ILE 6 HG11 ILE 6 2.003 -6.118 -2.708 50 HG13 ILE 6 HG12 ILE 6 3.177 -5.874 -3.995 51 HG21 ILE 6 HG21 ILE 6 2.442 -3.301 -1.280 52 HG22 ILE 6 HG22 ILE 6 1.083 -2.593 -2.155 53 HG23 ILE 6 HG23 ILE 6 0.987 -4.266 -1.553 54 HD11 ILE 6 HD11 ILE 6 4.687 -4.718 -2.353 55 HD12 ILE 6 HD12 ILE 6 3.602 -5.269 -1.070 56 HD13 ILE 6 HD13 ILE 6 4.439 -6.458 -2.085 57 H ARG 7 H ARG 7 2.628 -1.985 -5.250 58 HA ARG 7 HA ARG 7 0.817 0.098 -4.579 59 HB2 ARG 7 HB1 ARG 7 2.125 1.523 -6.106 60 HB3 ARG 7 HB2 ARG 7 3.107 0.683 -4.900 61 HG2 ARG 7 HG1 ARG 7 4.013 -0.808 -6.568 62 HG3 ARG 7 HG2 ARG 7 2.820 -0.305 -7.778 63 HD2 ARG 7 HD1 ARG 7 3.736 2.005 -7.718 64 HD3 ARG 7 HD2 ARG 7 4.965 1.483 -6.582 65 HE ARG 7 HE ARG 7 6.169 0.757 -8.282 66 HH11 ARG 7 HH11 ARG 7 3.028 1.603 -9.615 67 HH12 ARG 7 HH12 ARG 7 3.480 1.216 -11.246 68 HH21 ARG 7 HH21 ARG 7 6.813 0.405 -10.404 69 HH22 ARG 7 HH22 ARG 7 5.724 0.873 -11.668 70 H ALA 8 H ALA 8 1.071 -1.781 -7.599 71 HA ALA 8 HA ALA 8 -0.503 -0.025 -9.164 72 HB1 ALA 8 HB1 ALA 8 1.017 -1.715 -10.073 73 HB2 ALA 8 HB2 ALA 8 -0.068 -3.008 -9.455 74 HB3 ALA 8 HB3 ALA 8 -0.620 -1.862 -10.705 75 H GLY 9 H GLY 9 -1.502 -2.083 -6.573 76 HA2 GLY 9 HA1 GLY 9 -4.257 -2.363 -7.584 77 HA3 GLY 9 HA2 GLY 9 -3.595 -3.021 -6.082 78 H LEU 10 H LEU 10 -2.501 -0.914 -4.833 79 HA LEU 10 HA LEU 10 -4.571 0.384 -3.549 80 HB2 LEU 10 HB1 LEU 10 -1.819 1.593 -3.836 81 HB3 LEU 10 HB2 LEU 10 -2.960 1.887 -2.545 82 HG LEU 10 HG LEU 10 -1.628 -0.801 -3.034 83 HD11 LEU 10 HD11 LEU 10 -1.092 1.268 -0.882 84 HD12 LEU 10 HD12 LEU 10 -0.019 0.873 -2.248 85 HD13 LEU 10 HD13 LEU 10 -0.366 -0.347 -1.013 86 HD21 LEU 10 HD21 LEU 10 -3.800 -1.101 -1.972 87 HD22 LEU 10 HD22 LEU 10 -3.433 0.162 -0.774 88 HD23 LEU 10 HD23 LEU 10 -2.524 -1.367 -0.783 89 H ARG 11 H ARG 11 -2.948 1.487 -6.464 90 HA ARG 11 HA ARG 11 -3.909 4.201 -6.419 91 HB2 ARG 11 HB1 ARG 11 -3.383 4.259 -8.804 92 HB3 ARG 11 HB2 ARG 11 -2.056 3.625 -7.823 93 HG2 ARG 11 HG1 ARG 11 -2.516 1.366 -8.505 94 HG3 ARG 11 HG2 ARG 11 -3.951 1.842 -9.431 95 HD2 ARG 11 HD1 ARG 11 -1.149 2.834 -10.028 96 HD3 ARG 11 HD2 ARG 11 -1.901 1.420 -10.799 97 HE ARG 11 HE ARG 11 -3.642 3.660 -11.032 98 HH11 ARG 11 HH11 ARG 11 -0.551 2.532 -12.362 99 HH12 ARG 11 HH12 ARG 11 -0.849 3.245 -13.934 100 HH21 ARG 11 HH21 ARG 11 -3.994 4.590 -13.077 101 HH22 ARG 11 HH22 ARG 11 -2.708 4.621 -14.244 102 H THR 12 H THR 12 -5.297 1.171 -7.818 103 HA THR 12 HA THR 12 -7.560 2.341 -8.994 104 HB THR 12 HB THR 12 -7.283 -0.454 -7.801 105 HG1 THR 12 HG1 THR 12 -5.999 -0.981 -9.407 106 HG21 THR 12 HG21 THR 12 -8.647 -1.122 -9.749 107 HG22 THR 12 HG22 THR 12 -8.745 0.576 -10.275 108 HG23 THR 12 HG23 THR 12 -9.505 0.061 -8.748 109 H LEU 13 H LEU 13 -6.880 1.094 -5.748 110 HA LEU 13 HA LEU 13 -9.434 1.188 -4.577 111 HB2 LEU 13 HB1 LEU 13 -6.706 0.789 -3.817 112 HB3 LEU 13 HB2 LEU 13 -7.360 1.998 -2.722 113 HG LEU 13 HG LEU 13 -8.955 0.501 -1.828 114 HD11 LEU 13 HD11 LEU 13 -8.296 -1.431 -4.090 115 HD12 LEU 13 HD12 LEU 13 -9.878 -0.700 -3.738 116 HD13 LEU 13 HD13 LEU 13 -9.185 -1.857 -2.622 117 HD21 LEU 13 HD21 LEU 13 -7.476 -1.271 -1.021 118 HD22 LEU 13 HD22 LEU 13 -6.540 0.239 -1.206 119 HD23 LEU 13 HD23 LEU 13 -6.399 -1.068 -2.405 120 H VAL 14 H VAL 14 -6.894 3.773 -4.619 121 HA VAL 14 HA VAL 14 -8.738 5.593 -3.289 122 HB VAL 14 HB VAL 14 -7.047 7.347 -3.651 123 HG11 VAL 14 HG11 VAL 14 -5.407 6.338 -2.118 124 HG12 VAL 14 HG12 VAL 14 -7.051 5.875 -1.680 125 HG13 VAL 14 HG13 VAL 14 -6.033 4.699 -2.513 126 HG21 VAL 14 HG21 VAL 14 -5.375 5.195 -4.995 127 HG22 VAL 14 HG22 VAL 14 -6.041 6.638 -5.780 128 HG23 VAL 14 HG23 VAL 14 -4.831 6.810 -4.497 129 H GLU 15 H GLU 15 -8.047 4.946 -6.700 130 HA GLU 15 HA GLU 15 -9.221 7.276 -7.834 131 HB2 GLU 15 HB1 GLU 15 -8.988 4.383 -8.706 132 HB3 GLU 15 HB2 GLU 15 -9.769 5.558 -9.736 133 HG2 GLU 15 HG1 GLU 15 -6.986 6.084 -8.694 134 HG3 GLU 15 HG2 GLU 15 -7.254 4.984 -10.027 135 H ASN 16 H ASN 16 -10.630 4.300 -6.577 136 HA ASN 16 HA ASN 16 -13.386 5.114 -7.322 137 HB2 ASN 16 HB1 ASN 16 -12.234 2.480 -6.345 138 HB3 ASN 16 HB2 ASN 16 -13.942 2.775 -6.666 139 HD21 ASN 16 HD22 ASN 16 -10.772 2.382 -8.154 140 HD22 ASN 16 HD21 ASN 16 -11.329 2.277 -9.816 141 H GLU 17 H GLU 17 -11.461 5.980 -4.898 142 HA GLU 17 HA GLU 17 -11.657 6.646 -2.772 143 HB2 GLU 17 HB1 GLU 17 -14.631 6.698 -3.379 144 HB3 GLU 17 HB2 GLU 17 -13.827 7.598 -2.105 145 HG2 GLU 17 HG1 GLU 17 -13.127 8.032 -5.049 146 HG3 GLU 17 HG2 GLU 17 -14.488 8.794 -4.256 147 H GLU 18 H GLU 18 -11.847 3.704 -3.320 148 HA GLU 18 HA GLU 18 -13.616 2.339 -1.569 149 HB2 GLU 18 HB1 GLU 18 -10.791 1.688 -2.474 150 HB3 GLU 18 HB2 GLU 18 -11.868 0.532 -1.730 151 HG2 GLU 18 HG1 GLU 18 -12.894 1.921 -4.196 152 HG3 GLU 18 HG2 GLU 18 -11.572 0.801 -4.415 153 H THR 19 H THR 19 -10.616 4.081 -1.032 154 HA THR 19 HA THR 19 -10.928 4.128 1.799 155 HB THR 19 HB THR 19 -9.968 1.817 1.336 156 HG1 THR 19 HG1 THR 19 -9.103 1.919 3.123 157 HG21 THR 19 HG21 THR 19 -8.501 2.383 -0.559 158 HG22 THR 19 HG22 THR 19 -7.629 1.574 0.755 159 HG23 THR 19 HG23 THR 19 -7.472 3.329 0.528 160 H THR 20 H THR 20 -8.634 5.183 2.584 161 HA THR 20 HA THR 20 -7.617 7.087 0.551 162 HB THR 20 HB THR 20 -8.737 7.876 3.280 163 HG1 THR 20 HG1 THR 20 -10.251 7.350 1.517 164 HG21 THR 20 HG21 THR 20 -6.960 9.423 2.724 165 HG22 THR 20 HG22 THR 20 -8.471 10.228 2.355 166 HG23 THR 20 HG23 THR 20 -7.519 9.548 1.039 167 H PHE 21 H PHE 21 -5.539 8.040 1.261 168 HA PHE 21 HA PHE 21 -3.733 6.193 2.263 169 HB2 PHE 21 HB1 PHE 21 -3.517 9.224 2.487 170 HB3 PHE 21 HB2 PHE 21 -2.182 8.081 2.565 171 HD1 PHE 21 HD2 PHE 21 -2.103 6.364 0.446 172 HD2 PHE 21 HD1 PHE 21 -3.842 10.323 0.427 173 HE1 PHE 21 HE2 PHE 21 -1.788 6.505 -2.013 174 HE2 PHE 21 HE1 PHE 21 -3.505 10.451 -2.020 175 HZ PHE 21 HZ PHE 21 -2.429 8.572 -3.228 176 H LYS 22 H LYS 22 -5.583 8.616 4.108 177 HA LYS 22 HA LYS 22 -4.312 8.340 6.623 178 HB2 LYS 22 HB1 LYS 22 -7.156 9.045 5.821 179 HB3 LYS 22 HB2 LYS 22 -6.589 9.051 7.499 180 HG2 LYS 22 HG1 LYS 22 -4.890 10.724 7.017 181 HG3 LYS 22 HG2 LYS 22 -5.185 10.607 5.280 182 HD2 LYS 22 HD1 LYS 22 -6.205 12.642 6.228 183 HD3 LYS 22 HD2 LYS 22 -7.387 11.558 5.496 184 HE2 LYS 22 HE1 LYS 22 -8.319 12.373 7.559 185 HE3 LYS 22 HE2 LYS 22 -7.965 10.648 7.729 186 HZ1 LYS 22 HZ1 LYS 22 -5.980 11.225 8.970 187 HZ2 LYS 22 HZ2 LYS 22 -7.325 11.864 9.647 188 HZ3 LYS 22 HZ3 LYS 22 -6.282 12.837 8.790 189 H GLN 23 H GLN 23 -7.171 6.557 5.347 190 HA GLN 23 HA GLN 23 -7.366 4.880 7.633 191 HB2 GLN 23 HB1 GLN 23 -9.186 5.373 5.953 192 HB3 GLN 23 HB2 GLN 23 -8.355 4.318 4.816 193 HG2 GLN 23 HG1 GLN 23 -10.127 3.070 5.848 194 HG3 GLN 23 HG2 GLN 23 -8.613 2.424 6.465 195 HE21 GLN 23 HE22 GLN 23 -9.153 1.726 8.629 196 HE22 GLN 23 HE21 GLN 23 -9.826 2.770 9.818 197 H ILE 24 H ILE 24 -5.908 4.244 4.329 198 HA ILE 24 HA ILE 24 -4.997 1.660 4.841 199 HB ILE 24 HB ILE 24 -3.449 3.773 3.289 200 HG12 ILE 24 HG11 ILE 24 -5.409 1.790 2.066 201 HG13 ILE 24 HG12 ILE 24 -5.880 3.417 2.492 202 HG21 ILE 24 HG21 ILE 24 -3.439 0.721 3.063 203 HG22 ILE 24 HG22 ILE 24 -2.489 1.826 2.056 204 HG23 ILE 24 HG23 ILE 24 -2.139 1.692 3.769 205 HD11 ILE 24 HD11 ILE 24 -4.078 4.327 0.997 206 HD12 ILE 24 HD12 ILE 24 -3.740 2.666 0.459 207 HD13 ILE 24 HD13 ILE 24 -5.308 3.394 0.138 208 H ALA 25 H ALA 25 -3.361 4.748 5.690 209 HA ALA 25 HA ALA 25 -1.024 3.578 6.827 210 HB1 ALA 25 HB1 ALA 25 -2.334 6.255 7.470 211 HB2 ALA 25 HB2 ALA 25 -0.614 5.850 7.589 212 HB3 ALA 25 HB3 ALA 25 -1.372 5.971 6.012 213 H LEU 26 H LEU 26 -4.103 4.662 8.325 214 HA LEU 26 HA LEU 26 -3.291 4.153 11.001 215 HB2 LEU 26 HB1 LEU 26 -5.285 5.517 10.256 216 HB3 LEU 26 HB2 LEU 26 -6.090 4.017 9.793 217 HG LEU 26 HG LEU 26 -5.967 3.258 12.197 218 HD11 LEU 26 HD11 LEU 26 -4.881 6.089 12.618 219 HD12 LEU 26 HD12 LEU 26 -4.080 4.577 13.025 220 HD13 LEU 26 HD13 LEU 26 -5.520 5.047 13.919 221 HD21 LEU 26 HD21 LEU 26 -7.745 4.801 12.966 222 HD22 LEU 26 HD22 LEU 26 -7.978 4.312 11.285 223 HD23 LEU 26 HD23 LEU 26 -7.342 5.927 11.651 224 H GLU 27 H GLU 27 -4.885 2.137 8.559 225 HA GLU 27 HA GLU 27 -5.414 -0.172 10.125 226 HB2 GLU 27 HB1 GLU 27 -4.864 0.161 7.145 227 HB3 GLU 27 HB2 GLU 27 -5.497 -1.285 7.899 228 HG2 GLU 27 HG1 GLU 27 -7.015 1.299 8.265 229 HG3 GLU 27 HG2 GLU 27 -7.035 0.505 6.680 230 H SER 28 H SER 28 -2.594 0.772 8.141 231 HA SER 28 HA SER 28 -1.203 -1.787 8.642 232 HB2 SER 28 HB1 SER 28 0.389 -0.863 6.986 233 HB3 SER 28 HB2 SER 28 -1.275 -0.829 6.380 234 HG SER 28 HG SER 28 -1.397 1.275 6.629 235 H GLY 29 H GLY 29 -1.350 1.235 10.198 236 HA2 GLY 29 HA1 GLY 29 -0.170 2.117 11.939 237 HA3 GLY 29 HA2 GLY 29 0.872 0.680 11.956 238 H LEU 30 H LEU 30 0.733 2.039 8.821 239 HA LEU 30 HA LEU 30 3.510 3.032 9.007 240 HB2 LEU 30 HB1 LEU 30 1.660 2.916 6.592 241 HB3 LEU 30 HB2 LEU 30 3.385 3.234 6.569 242 HG LEU 30 HG LEU 30 2.179 0.574 7.453 243 HD11 LEU 30 HD11 LEU 30 2.971 -0.265 5.243 244 HD12 LEU 30 HD12 LEU 30 3.385 1.404 4.782 245 HD13 LEU 30 HD13 LEU 30 1.695 0.951 5.089 246 HD21 LEU 30 HD21 LEU 30 4.403 0.946 8.389 247 HD22 LEU 30 HD22 LEU 30 5.044 1.357 6.781 248 HD23 LEU 30 HD23 LEU 30 4.463 -0.288 7.138 249 H SER 31 H SER 31 3.908 5.186 7.695 250 HA SER 31 HA SER 31 2.222 7.267 8.865 251 HB2 SER 31 HB1 SER 31 4.209 8.407 7.242 252 HB3 SER 31 HB2 SER 31 4.239 8.211 8.991 253 HG SER 31 HG SER 31 5.537 6.726 7.001 254 H THR 32 H THR 32 0.954 8.762 7.539 255 HA THR 32 HA THR 32 -0.120 7.642 5.196 256 HB THR 32 HB THR 32 -1.122 9.911 4.877 257 HG1 THR 32 HG1 THR 32 -0.829 11.428 6.355 258 HG21 THR 32 HG21 THR 32 -2.220 8.214 6.240 259 HG22 THR 32 HG22 THR 32 -2.538 9.840 6.888 260 HG23 THR 32 HG23 THR 32 -1.360 8.773 7.703 261 H GLY 33 H GLY 33 2.642 9.932 5.490 262 HA2 GLY 33 HA1 GLY 33 2.704 10.531 2.672 263 HA3 GLY 33 HA2 GLY 33 3.953 10.859 3.854 264 H THR 34 H THR 34 3.856 7.819 4.580 265 HA THR 34 HA THR 34 5.990 7.025 2.822 266 HB THR 34 HB THR 34 4.341 5.559 4.931 267 HG1 THR 34 HG1 THR 34 6.565 7.206 4.875 268 HG21 THR 34 HG21 THR 34 6.211 3.935 5.008 269 HG22 THR 34 HG22 THR 34 6.826 4.638 3.483 270 HG23 THR 34 HG23 THR 34 5.237 3.859 3.534 271 H ILE 35 H ILE 35 2.614 5.820 3.270 272 HA ILE 35 HA ILE 35 2.637 3.899 1.238 273 HB ILE 35 HB ILE 35 0.410 5.619 2.380 274 HG12 ILE 35 HG11 ILE 35 0.907 2.679 2.893 275 HG13 ILE 35 HG12 ILE 35 1.883 3.844 3.758 276 HG21 ILE 35 HG21 ILE 35 -0.388 4.744 0.212 277 HG22 ILE 35 HG22 ILE 35 0.146 3.111 0.650 278 HG23 ILE 35 HG23 ILE 35 -1.182 3.890 1.533 279 HD11 ILE 35 HD11 ILE 35 -0.131 3.089 4.983 280 HD12 ILE 35 HD12 ILE 35 0.032 4.853 4.796 281 HD13 ILE 35 HD13 ILE 35 -1.141 3.956 3.812 282 H SER 36 H SER 36 1.603 7.352 0.964 283 HA SER 36 HA SER 36 1.008 7.202 -1.806 284 HB2 SER 36 HB1 SER 36 1.387 9.710 -1.655 285 HB3 SER 36 HB2 SER 36 0.156 9.012 -0.580 286 HG SER 36 HG SER 36 2.442 10.344 -0.014 287 H SER 37 H SER 37 4.075 7.865 -0.109 288 HA SER 37 HA SER 37 5.526 8.604 -2.481 289 HB2 SER 37 HB1 SER 37 6.120 9.063 -0.042 290 HB3 SER 37 HB2 SER 37 6.743 7.404 0.038 291 HG SER 37 HG SER 37 7.463 9.434 -1.834 292 H PHE 38 H PHE 38 5.126 5.539 -0.706 293 HA PHE 38 HA PHE 38 6.835 3.870 -2.144 294 HB2 PHE 38 HB1 PHE 38 5.897 3.239 -0.037 295 HB3 PHE 38 HB2 PHE 38 4.256 3.400 -0.622 296 HD1 PHE 38 HD1 PHE 38 7.296 1.267 -0.752 297 HD2 PHE 38 HD2 PHE 38 3.109 1.619 -1.745 298 HE1 PHE 38 HE1 PHE 38 7.195 -1.155 -1.198 299 HE2 PHE 38 HE2 PHE 38 3.035 -0.793 -2.286 300 HZ PHE 38 HZ PHE 38 5.054 -2.199 -1.986 301 H ILE 39 H ILE 39 3.362 4.594 -2.694 302 HA ILE 39 HA ILE 39 3.036 3.009 -4.986 303 HB ILE 39 HB ILE 39 1.594 5.479 -3.979 304 HG12 ILE 39 HG11 ILE 39 0.617 2.588 -4.018 305 HG13 ILE 39 HG12 ILE 39 1.606 3.187 -2.697 306 HG21 ILE 39 HG21 ILE 39 1.105 5.360 -6.392 307 HG22 ILE 39 HG22 ILE 39 0.669 3.643 -6.240 308 HG23 ILE 39 HG23 ILE 39 -0.313 4.905 -5.475 309 HD11 ILE 39 HD11 ILE 39 -1.082 4.314 -3.511 310 HD12 ILE 39 HD12 ILE 39 -0.717 3.368 -2.061 311 HD13 ILE 39 HD13 ILE 39 -0.030 4.991 -2.250 312 H ASN 40 H ASN 40 4.417 6.220 -4.666 313 HA ASN 40 HA ASN 40 4.462 6.670 -7.575 314 HB2 ASN 40 HB1 ASN 40 3.974 8.448 -5.735 315 HB3 ASN 40 HB2 ASN 40 5.702 8.372 -5.374 316 HD21 ASN 40 HD22 ASN 40 3.554 8.603 -8.304 317 HD22 ASN 40 HD21 ASN 40 4.500 9.840 -9.080 318 H ASP 41 H ASP 41 6.238 4.767 -5.602 319 HA ASP 41 HA ASP 41 8.194 3.769 -5.572 320 HB2 ASP 41 HB1 ASP 41 8.484 4.786 -8.390 321 HB3 ASP 41 HB2 ASP 41 9.510 3.566 -7.625 322 H LYS 42 H LYS 42 8.029 6.336 -4.410 323 HA LYS 42 HA LYS 42 10.831 7.383 -4.698 324 HB2 LYS 42 HB1 LYS 42 8.202 8.808 -4.144 325 HB3 LYS 42 HB2 LYS 42 9.765 9.593 -3.938 326 HG2 LYS 42 HG1 LYS 42 8.784 8.467 -6.583 327 HG3 LYS 42 HG2 LYS 42 8.600 10.133 -6.034 328 HD2 LYS 42 HD1 LYS 42 11.117 10.293 -5.837 329 HD3 LYS 42 HD2 LYS 42 11.245 8.665 -6.496 330 HE2 LYS 42 HE1 LYS 42 11.614 10.505 -8.163 331 HE3 LYS 42 HE2 LYS 42 10.379 9.324 -8.624 332 HZ1 LYS 42 HZ1 LYS 42 8.711 10.794 -8.254 333 HZ2 LYS 42 HZ2 LYS 42 9.834 11.761 -8.937 334 HZ3 LYS 42 HZ3 LYS 42 9.603 11.822 -7.300 335 H TYR 43 H TYR 43 9.132 5.485 -2.567 336 HA TYR 43 HA TYR 43 9.631 7.046 -0.169 337 HB2 TYR 43 HB1 TYR 43 7.907 5.324 -0.150 338 HB3 TYR 43 HB2 TYR 43 9.099 4.070 -0.497 339 HD1 TYR 43 HD1 TYR 43 8.659 6.939 1.941 340 HD2 TYR 43 HD2 TYR 43 9.812 2.813 1.367 341 HE1 TYR 43 HE1 TYR 43 9.145 6.736 4.352 342 HE2 TYR 43 HE2 TYR 43 10.224 2.589 3.801 343 HH TYR 43 HH TYR 43 9.623 5.314 6.086 344 H ASN 44 H ASN 44 11.742 7.708 -0.005 345 HA ASN 44 HA ASN 44 13.968 5.895 -0.569 346 HB2 ASN 44 HB1 ASN 44 13.959 8.653 0.708 347 HB3 ASN 44 HB2 ASN 44 15.386 7.774 0.167 348 HD21 ASN 44 HD22 ASN 44 15.165 7.032 -2.344 349 HD22 ASN 44 HD21 ASN 44 14.527 8.281 -3.379 350 H GLY 45 H GLY 45 13.059 4.244 0.958 351 HA2 GLY 45 HA1 GLY 45 14.442 4.297 3.493 352 HA3 GLY 45 HA2 GLY 45 12.671 4.371 3.651 353 H ASP 46 H ASP 46 13.037 2.262 4.696 354 HA ASP 46 HA ASP 46 13.906 -0.078 3.238 355 HB2 ASP 46 HB1 ASP 46 14.058 0.241 5.688 356 HB3 ASP 46 HB2 ASP 46 12.307 0.259 5.797 357 H ASN 47 H ASN 47 12.695 -0.102 1.311 358 HA ASN 47 HA ASN 47 9.793 0.089 1.313 359 HB2 ASN 47 HB1 ASN 47 11.677 -0.820 -0.902 360 HB3 ASN 47 HB2 ASN 47 9.942 -0.835 -1.025 361 HD21 ASN 47 HD22 ASN 47 12.489 1.578 0.046 362 HD22 ASN 47 HD21 ASN 47 11.713 2.880 -0.815 363 H GLU 48 H GLU 48 12.116 -2.596 1.580 364 HA GLU 48 HA GLU 48 10.355 -4.717 0.899 365 HB2 GLU 48 HB1 GLU 48 12.658 -4.691 2.885 366 HB3 GLU 48 HB2 GLU 48 11.882 -6.134 2.244 367 HG2 GLU 48 HG1 GLU 48 13.468 -4.083 0.688 368 HG3 GLU 48 HG2 GLU 48 13.985 -5.691 1.101 369 H ARG 49 H ARG 49 10.781 -2.851 3.862 370 HA ARG 49 HA ARG 49 9.080 -4.608 5.441 371 HB2 ARG 49 HB1 ARG 49 10.958 -3.135 6.236 372 HB3 ARG 49 HB2 ARG 49 9.911 -1.738 5.991 373 HG2 ARG 49 HG1 ARG 49 8.304 -2.787 7.655 374 HG3 ARG 49 HG2 ARG 49 9.476 -4.087 7.891 375 HD2 ARG 49 HD1 ARG 49 9.831 -1.136 8.534 376 HD3 ARG 49 HD2 ARG 49 9.772 -2.475 9.669 377 HE ARG 49 HE ARG 49 11.987 -2.484 7.696 378 HH11 ARG 49 HH11 ARG 49 11.055 -1.899 11.084 379 HH12 ARG 49 HH12 ARG 49 12.476 -0.996 11.431 380 HH21 ARG 49 HH21 ARG 49 13.920 -1.726 8.231 381 HH22 ARG 49 HH22 ARG 49 14.334 -1.162 9.840 382 H VAL 50 H VAL 50 8.646 -1.488 3.725 383 HA VAL 50 HA VAL 50 5.921 -1.100 4.484 384 HB VAL 50 HB VAL 50 7.493 -0.135 2.066 385 HG11 VAL 50 HG11 VAL 50 4.759 0.777 3.057 386 HG12 VAL 50 HG12 VAL 50 5.759 1.671 1.888 387 HG13 VAL 50 HG13 VAL 50 5.149 0.070 1.478 388 HG21 VAL 50 HG21 VAL 50 8.363 0.688 4.215 389 HG22 VAL 50 HG22 VAL 50 7.586 2.001 3.338 390 HG23 VAL 50 HG23 VAL 50 6.744 1.229 4.697 391 H SER 51 H SER 51 7.342 -2.670 1.524 392 HA SER 51 HA SER 51 4.925 -3.271 0.252 393 HB2 SER 51 HB1 SER 51 6.263 -5.081 -0.870 394 HB3 SER 51 HB2 SER 51 7.047 -3.492 -0.899 395 HG SER 51 HG SER 51 8.476 -5.207 -0.337 396 H GLN 52 H GLN 52 6.880 -5.322 2.444 397 HA GLN 52 HA GLN 52 5.089 -7.439 2.638 398 HB2 GLN 52 HB1 GLN 52 7.237 -6.342 4.468 399 HB3 GLN 52 HB2 GLN 52 6.281 -7.720 4.979 400 HG2 GLN 52 HG1 GLN 52 7.790 -7.615 2.324 401 HG3 GLN 52 HG2 GLN 52 8.380 -8.381 3.803 402 HE21 GLN 52 HE22 GLN 52 7.013 -9.265 0.923 403 HE22 GLN 52 HE21 GLN 52 6.118 -10.661 1.460 404 H THR 53 H THR 53 4.950 -4.370 4.639 405 HA THR 53 HA THR 53 2.855 -5.476 6.293 406 HB THR 53 HB THR 53 3.615 -2.592 5.640 407 HG1 THR 53 HG1 THR 53 4.339 -4.195 7.870 408 HG21 THR 53 HG21 THR 53 2.570 -2.022 7.789 409 HG22 THR 53 HG22 THR 53 2.069 -3.721 8.015 410 HG23 THR 53 HG23 THR 53 1.380 -2.759 6.701 411 H LEU 54 H LEU 54 2.952 -3.638 3.183 412 HA LEU 54 HA LEU 54 0.115 -3.208 3.136 413 HB2 LEU 54 HB1 LEU 54 2.261 -3.079 1.003 414 HB3 LEU 54 HB2 LEU 54 0.564 -2.700 0.679 415 HG LEU 54 HG LEU 54 2.232 -1.264 2.800 416 HD11 LEU 54 HD11 LEU 54 1.623 -0.402 -0.040 417 HD12 LEU 54 HD12 LEU 54 3.194 -0.880 0.624 418 HD13 LEU 54 HD13 LEU 54 2.405 0.586 1.219 419 HD21 LEU 54 HD21 LEU 54 -0.485 -0.624 1.568 420 HD22 LEU 54 HD22 LEU 54 0.435 0.446 2.653 421 HD23 LEU 54 HD23 LEU 54 -0.163 -1.092 3.252 422 H GLN 55 H GLN 55 2.182 -5.887 2.077 423 HA GLN 55 HA GLN 55 0.245 -7.234 0.493 424 HB2 GLN 55 HB1 GLN 55 2.392 -8.513 2.259 425 HB3 GLN 55 HB2 GLN 55 1.466 -9.305 1.000 426 HG2 GLN 55 HG1 GLN 55 2.482 -7.153 -0.388 427 HG3 GLN 55 HG2 GLN 55 3.742 -7.406 0.798 428 HE21 GLN 55 HE22 GLN 55 1.762 -9.899 -1.052 429 HE22 GLN 55 HE21 GLN 55 3.195 -10.752 -1.523 430 H ARG 56 H ARG 56 0.955 -7.591 4.018 431 HA ARG 56 HA ARG 56 -1.101 -9.489 4.567 432 HB2 ARG 56 HB1 ARG 56 -0.010 -7.289 6.400 433 HB3 ARG 56 HB2 ARG 56 -0.970 -8.688 6.915 434 HG2 ARG 56 HG1 ARG 56 0.847 -10.189 5.961 435 HG3 ARG 56 HG2 ARG 56 1.795 -8.727 5.650 436 HD2 ARG 56 HD1 ARG 56 1.756 -8.184 8.069 437 HD3 ARG 56 HD2 ARG 56 0.821 -9.662 8.370 438 HE ARG 56 HE ARG 56 3.232 -10.223 6.916 439 HH11 ARG 56 HH11 ARG 56 2.237 -9.290 10.182 440 HH12 ARG 56 HH12 ARG 56 3.509 -10.124 10.990 441 HH21 ARG 56 HH21 ARG 56 5.021 -11.308 7.945 442 HH22 ARG 56 HH22 ARG 56 5.196 -11.181 9.664 443 H TRP 57 H TRP 57 -1.168 -5.929 4.636 444 HA TRP 57 HA TRP 57 -3.867 -5.675 5.455 445 HB2 TRP 57 HB1 TRP 57 -2.185 -3.911 5.594 446 HB3 TRP 57 HB2 TRP 57 -2.065 -3.843 3.836 447 HD1 TRP 57 HD1 TRP 57 -4.421 -2.913 6.698 448 HE1 TRP 57 HE1 TRP 57 -6.220 -1.301 5.823 449 HE3 TRP 57 HE3 TRP 57 -3.345 -3.158 1.741 450 HZ2 TRP 57 HZ2 TRP 57 -6.947 -0.091 3.279 451 HZ3 TRP 57 HZ3 TRP 57 -4.778 -2.008 0.082 452 HH2 TRP 57 HH2 TRP 57 -6.562 -0.429 0.872 453 H LEU 58 H LEU 58 -2.460 -5.777 2.121 454 HA LEU 58 HA LEU 58 -4.929 -5.532 0.729 455 HB2 LEU 58 HB1 LEU 58 -2.125 -6.296 0.072 456 HB3 LEU 58 HB2 LEU 58 -3.331 -6.931 -1.033 457 HG LEU 58 HG LEU 58 -3.531 -4.050 -0.246 458 HD11 LEU 58 HD11 LEU 58 -1.981 -3.421 -2.112 459 HD12 LEU 58 HD12 LEU 58 -1.549 -5.135 -2.295 460 HD13 LEU 58 HD13 LEU 58 -1.161 -4.266 -0.786 461 HD21 LEU 58 HD21 LEU 58 -5.276 -4.901 -1.606 462 HD22 LEU 58 HD22 LEU 58 -4.125 -5.535 -2.817 463 HD23 LEU 58 HD23 LEU 58 -4.311 -3.785 -2.561 464 H GLU 59 H GLU 59 -3.284 -8.409 2.057 465 HA GLU 59 HA GLU 59 -4.891 -10.327 0.651 466 HB2 GLU 59 HB1 GLU 59 -3.301 -10.465 3.250 467 HB3 GLU 59 HB2 GLU 59 -4.360 -11.773 2.717 468 HG2 GLU 59 HG1 GLU 59 -3.046 -11.604 0.453 469 HG3 GLU 59 HG2 GLU 59 -1.797 -10.827 1.436 470 H LYS 60 H LYS 60 -5.418 -8.485 3.719 471 HA LYS 60 HA LYS 60 -7.952 -9.919 4.108 472 HB2 LYS 60 HB1 LYS 60 -8.361 -8.645 6.012 473 HB3 LYS 60 HB2 LYS 60 -6.682 -9.168 6.050 474 HG2 LYS 60 HG1 LYS 60 -5.880 -6.945 5.651 475 HG3 LYS 60 HG2 LYS 60 -7.491 -6.355 5.194 476 HD2 LYS 60 HD1 LYS 60 -8.232 -6.934 7.579 477 HD3 LYS 60 HD2 LYS 60 -6.514 -7.172 7.939 478 HE2 LYS 60 HE1 LYS 60 -6.684 -4.964 8.531 479 HE3 LYS 60 HE2 LYS 60 -6.331 -4.743 6.813 480 HZ1 LYS 60 HZ1 LYS 60 -8.952 -4.583 8.164 481 HZ2 LYS 60 HZ2 LYS 60 -8.836 -4.680 6.528 482 HZ3 LYS 60 HZ3 LYS 60 -8.188 -3.404 7.371 483 H TYR 61 H TYR 61 -6.943 -6.746 2.779 484 HA TYR 61 HA TYR 61 -9.518 -5.659 2.546 485 HB2 TYR 61 HB1 TYR 61 -6.877 -4.956 1.716 486 HB3 TYR 61 HB2 TYR 61 -7.871 -4.875 0.281 487 HD1 TYR 61 HD2 TYR 61 -8.003 -3.986 3.929 488 HD2 TYR 61 HD1 TYR 61 -8.975 -2.842 -0.097 489 HE1 TYR 61 HE2 TYR 61 -8.870 -1.839 4.793 490 HE2 TYR 61 HE1 TYR 61 -9.843 -0.650 0.716 491 HH TYR 61 HH TYR 61 -10.786 0.138 3.518 492 H HIS 62 H HIS 62 -7.759 -7.675 0.149 493 HA HIS 62 HA HIS 62 -10.085 -7.752 -1.623 494 HB2 HIS 62 HB1 HIS 62 -7.444 -9.212 -1.502 495 HB3 HIS 62 HB2 HIS 62 -8.683 -9.715 -2.640 496 HD1 HIS 62 HD1 HIS 62 -9.311 -8.073 -4.669 497 HD2 HIS 62 HD2 HIS 62 -6.318 -6.752 -2.018 498 HE1 HIS 62 HE1 HIS 62 -8.011 -6.268 -5.908 499 H ALA 63 H ALA 63 -9.876 -9.269 1.408 500 HA ALA 63 HA ALA 63 -11.749 -11.372 0.501 501 HB1 ALA 63 HB1 ALA 63 -9.370 -11.890 2.331 502 HB2 ALA 63 HB2 ALA 63 -10.613 -13.061 1.848 503 HB3 ALA 63 HB3 ALA 63 -9.489 -12.424 0.637 Start of MODEL 8 1 H1 GLY -1 H GLY -1 1.636 -14.102 0.077 2 HA2 GLY -1 HA1 GLY -1 0.233 -14.143 -1.928 3 HA3 GLY -1 HA2 GLY -1 0.054 -12.390 -1.753 4 HA PRO 0 HA PRO 0 4.330 -13.587 -3.670 5 HB2 PRO 0 HB1 PRO 0 4.006 -14.857 -6.056 6 HB3 PRO 0 HB2 PRO 0 3.944 -15.722 -4.494 7 HG2 PRO 0 HG1 PRO 0 1.615 -14.647 -6.090 8 HG3 PRO 0 HG2 PRO 0 1.844 -16.318 -5.495 9 HD2 PRO 0 HD1 PRO 0 0.371 -14.506 -4.103 10 HD3 PRO 0 HD2 PRO 0 1.435 -15.665 -3.250 11 H MET 1 H MET 1 1.823 -11.564 -4.406 12 HA MET 1 HA MET 1 2.417 -10.610 -7.008 13 HB2 MET 1 HB1 MET 1 0.987 -8.842 -6.545 14 HB3 MET 1 HB2 MET 1 0.378 -10.106 -5.494 15 HG2 MET 1 HG1 MET 1 1.880 -9.025 -3.675 16 HG3 MET 1 HG2 MET 1 1.969 -7.642 -4.756 17 HE1 MET 1 HE1 MET 1 -1.945 -6.645 -4.848 18 HE2 MET 1 HE2 MET 1 -0.359 -6.309 -5.562 19 HE3 MET 1 HE3 MET 1 -1.201 -7.831 -5.938 20 H ASN 2 H ASN 2 3.929 -9.050 -7.769 21 HA ASN 2 HA ASN 2 6.314 -8.743 -6.115 22 HB2 ASN 2 HB1 ASN 2 6.486 -9.011 -8.563 23 HB3 ASN 2 HB2 ASN 2 5.521 -7.550 -8.813 24 HD21 ASN 2 HD22 ASN 2 8.595 -8.701 -7.273 25 HD22 ASN 2 HD21 ASN 2 9.408 -7.141 -7.423 26 H ILE 3 H ILE 3 7.278 -6.485 -5.731 27 HA ILE 3 HA ILE 3 5.623 -4.877 -4.159 28 HB ILE 3 HB ILE 3 8.248 -4.291 -5.587 29 HG12 ILE 3 HG11 ILE 3 7.451 -5.310 -2.833 30 HG13 ILE 3 HG12 ILE 3 8.525 -6.052 -4.015 31 HG21 ILE 3 HG21 ILE 3 8.588 -2.349 -4.203 32 HG22 ILE 3 HG22 ILE 3 7.076 -2.131 -5.052 33 HG23 ILE 3 HG23 ILE 3 7.064 -2.634 -3.344 34 HD11 ILE 3 HD11 ILE 3 10.188 -4.208 -3.568 35 HD12 ILE 3 HD12 ILE 3 9.106 -3.636 -2.263 36 HD13 ILE 3 HD13 ILE 3 9.837 -5.244 -2.169 37 H SER 4 H SER 4 6.379 -4.652 -7.616 38 HA SER 4 HA SER 4 5.186 -2.176 -8.197 39 HB2 SER 4 HB1 SER 4 6.735 -3.596 -9.606 40 HB3 SER 4 HB2 SER 4 5.362 -4.664 -9.953 41 HG SER 4 HG SER 4 5.584 -3.167 -11.585 42 H ASP 5 H ASP 5 3.671 -5.468 -7.817 43 HA ASP 5 HA ASP 5 1.143 -4.650 -8.933 44 HB2 ASP 5 HB1 ASP 5 1.939 -6.964 -7.146 45 HB3 ASP 5 HB2 ASP 5 0.310 -6.730 -7.786 46 H ILE 6 H ILE 6 2.604 -4.613 -5.705 47 HA ILE 6 HA ILE 6 0.217 -4.254 -4.197 48 HB ILE 6 HB ILE 6 2.967 -3.110 -3.585 49 HG12 ILE 6 HG11 ILE 6 1.852 -5.819 -2.703 50 HG13 ILE 6 HG12 ILE 6 3.012 -5.604 -4.011 51 HG21 ILE 6 HG21 ILE 6 1.014 -2.262 -2.186 52 HG22 ILE 6 HG22 ILE 6 0.774 -3.930 -1.636 53 HG23 ILE 6 HG23 ILE 6 2.287 -3.073 -1.278 54 HD11 ILE 6 HD11 ILE 6 4.548 -4.437 -2.403 55 HD12 ILE 6 HD12 ILE 6 3.490 -4.972 -1.095 56 HD13 ILE 6 HD13 ILE 6 4.303 -6.174 -2.120 57 H ARG 7 H ARG 7 2.515 -1.778 -5.512 58 HA ARG 7 HA ARG 7 0.851 0.422 -4.769 59 HB2 ARG 7 HB1 ARG 7 2.119 1.805 -6.248 60 HB3 ARG 7 HB2 ARG 7 3.224 0.729 -5.401 61 HG2 ARG 7 HG1 ARG 7 3.460 -0.638 -7.418 62 HG3 ARG 7 HG2 ARG 7 2.244 0.326 -8.272 63 HD2 ARG 7 HD1 ARG 7 4.156 1.184 -9.126 64 HD3 ARG 7 HD2 ARG 7 3.805 2.347 -7.832 65 HE ARG 7 HE ARG 7 5.333 0.433 -6.605 66 HH11 ARG 7 HH11 ARG 7 5.810 2.478 -9.509 67 HH12 ARG 7 HH12 ARG 7 7.483 2.712 -9.207 68 HH21 ARG 7 HH21 ARG 7 7.566 0.769 -6.237 69 HH22 ARG 7 HH22 ARG 7 8.504 1.765 -7.336 70 H ALA 8 H ALA 8 0.996 -1.524 -7.730 71 HA ALA 8 HA ALA 8 -0.903 -0.111 -9.236 72 HB1 ALA 8 HB1 ALA 8 0.835 -1.809 -9.986 73 HB2 ALA 8 HB2 ALA 8 -0.281 -3.068 -9.384 74 HB3 ALA 8 HB3 ALA 8 -0.766 -1.996 -10.705 75 H GLY 9 H GLY 9 -1.478 -2.038 -6.446 76 HA2 GLY 9 HA1 GLY 9 -4.249 -2.700 -7.201 77 HA3 GLY 9 HA2 GLY 9 -3.353 -3.199 -5.739 78 H LEU 10 H LEU 10 -2.354 -1.062 -4.626 79 HA LEU 10 HA LEU 10 -4.365 0.251 -3.264 80 HB2 LEU 10 HB1 LEU 10 -1.591 1.309 -3.903 81 HB3 LEU 10 HB2 LEU 10 -2.631 1.983 -2.666 82 HG LEU 10 HG LEU 10 -1.838 -0.936 -2.585 83 HD11 LEU 10 HD11 LEU 10 -0.090 -0.311 -0.976 84 HD12 LEU 10 HD12 LEU 10 -0.373 1.410 -1.310 85 HD13 LEU 10 HD13 LEU 10 0.250 0.341 -2.590 86 HD21 LEU 10 HD21 LEU 10 -2.649 1.011 -0.375 87 HD22 LEU 10 HD22 LEU 10 -2.374 -0.740 -0.208 88 HD23 LEU 10 HD23 LEU 10 -3.744 -0.145 -1.152 89 H ARG 11 H ARG 11 -2.875 1.255 -6.286 90 HA ARG 11 HA ARG 11 -3.940 3.907 -6.327 91 HB2 ARG 11 HB1 ARG 11 -3.515 4.030 -8.657 92 HB3 ARG 11 HB2 ARG 11 -2.198 3.133 -7.899 93 HG2 ARG 11 HG1 ARG 11 -3.343 1.008 -8.631 94 HG3 ARG 11 HG2 ARG 11 -4.476 1.978 -9.577 95 HD2 ARG 11 HD1 ARG 11 -1.453 2.040 -9.932 96 HD3 ARG 11 HD2 ARG 11 -2.557 1.011 -10.862 97 HE ARG 11 HE ARG 11 -2.976 3.950 -10.843 98 HH11 ARG 11 HH11 ARG 11 -1.836 1.106 -12.730 99 HH12 ARG 11 HH12 ARG 11 -1.927 1.932 -14.228 100 HH21 ARG 11 HH21 ARG 11 -3.132 4.970 -12.872 101 HH22 ARG 11 HH22 ARG 11 -2.515 4.181 -14.305 102 H THR 12 H THR 12 -5.424 0.818 -7.504 103 HA THR 12 HA THR 12 -7.796 1.942 -8.461 104 HB THR 12 HB THR 12 -7.365 -0.793 -7.157 105 HG1 THR 12 HG1 THR 12 -6.578 -1.445 -9.085 106 HG21 THR 12 HG21 THR 12 -9.319 0.108 -9.320 107 HG22 THR 12 HG22 THR 12 -9.734 -0.363 -7.653 108 HG23 THR 12 HG23 THR 12 -9.078 -1.566 -8.769 109 H LEU 13 H LEU 13 -6.960 0.772 -5.174 110 HA LEU 13 HA LEU 13 -9.480 1.186 -3.978 111 HB2 LEU 13 HB1 LEU 13 -6.654 1.010 -2.936 112 HB3 LEU 13 HB2 LEU 13 -7.927 1.505 -1.866 113 HG LEU 13 HG LEU 13 -7.380 -0.869 -1.687 114 HD11 LEU 13 HD11 LEU 13 -9.605 -1.851 -1.701 115 HD12 LEU 13 HD12 LEU 13 -10.215 -0.561 -2.727 116 HD13 LEU 13 HD13 LEU 13 -9.690 -0.211 -1.068 117 HD21 LEU 13 HD21 LEU 13 -7.961 -2.492 -3.364 118 HD22 LEU 13 HD22 LEU 13 -6.862 -1.306 -4.080 119 HD23 LEU 13 HD23 LEU 13 -8.606 -1.244 -4.447 120 H VAL 14 H VAL 14 -6.694 3.532 -4.252 121 HA VAL 14 HA VAL 14 -8.350 5.505 -2.828 122 HB VAL 14 HB VAL 14 -6.595 7.137 -3.299 123 HG11 VAL 14 HG11 VAL 14 -5.555 4.525 -2.147 124 HG12 VAL 14 HG12 VAL 14 -4.926 6.173 -1.824 125 HG13 VAL 14 HG13 VAL 14 -6.541 5.715 -1.287 126 HG21 VAL 14 HG21 VAL 14 -5.710 6.266 -5.461 127 HG22 VAL 14 HG22 VAL 14 -4.442 6.517 -4.239 128 HG23 VAL 14 HG23 VAL 14 -5.021 4.886 -4.597 129 H GLU 15 H GLU 15 -7.689 4.817 -6.268 130 HA GLU 15 HA GLU 15 -8.743 7.243 -7.331 131 HB2 GLU 15 HB1 GLU 15 -8.504 4.423 -8.408 132 HB3 GLU 15 HB2 GLU 15 -9.068 5.764 -9.396 133 HG2 GLU 15 HG1 GLU 15 -6.411 6.036 -7.978 134 HG3 GLU 15 HG2 GLU 15 -6.525 4.995 -9.389 135 H ASN 16 H ASN 16 -10.386 4.251 -6.255 136 HA ASN 16 HA ASN 16 -12.966 5.320 -7.303 137 HB2 ASN 16 HB1 ASN 16 -12.286 2.568 -6.233 138 HB3 ASN 16 HB2 ASN 16 -13.854 3.074 -6.837 139 HD21 ASN 16 HD22 ASN 16 -10.786 1.867 -7.666 140 HD22 ASN 16 HD21 ASN 16 -10.874 2.092 -9.413 141 H GLU 17 H GLU 17 -11.344 6.141 -4.720 142 HA GLU 17 HA GLU 17 -11.747 6.723 -2.564 143 HB2 GLU 17 HB1 GLU 17 -14.492 7.122 -3.774 144 HB3 GLU 17 HB2 GLU 17 -14.163 7.541 -2.101 145 HG2 GLU 17 HG1 GLU 17 -12.666 8.749 -4.433 146 HG3 GLU 17 HG2 GLU 17 -14.068 9.469 -3.643 147 H GLU 18 H GLU 18 -11.565 3.954 -2.927 148 HA GLU 18 HA GLU 18 -13.733 2.620 -1.457 149 HB2 GLU 18 HB1 GLU 18 -10.973 1.536 -2.067 150 HB3 GLU 18 HB2 GLU 18 -12.477 0.640 -1.782 151 HG2 GLU 18 HG1 GLU 18 -13.277 1.984 -3.944 152 HG3 GLU 18 HG2 GLU 18 -11.563 2.151 -4.234 153 H THR 19 H THR 19 -10.412 3.760 -0.895 154 HA THR 19 HA THR 19 -10.966 4.179 1.939 155 HB THR 19 HB THR 19 -10.266 1.852 2.019 156 HG1 THR 19 HG1 THR 19 -7.941 3.254 2.696 157 HG21 THR 19 HG21 THR 19 -7.817 2.686 0.449 158 HG22 THR 19 HG22 THR 19 -9.131 1.619 -0.077 159 HG23 THR 19 HG23 THR 19 -8.070 1.101 1.236 160 H THR 20 H THR 20 -9.587 5.800 2.749 161 HA THR 20 HA THR 20 -8.280 7.406 0.659 162 HB THR 20 HB THR 20 -8.007 8.973 2.634 163 HG1 THR 20 HG1 THR 20 -9.988 7.869 4.116 164 HG21 THR 20 HG21 THR 20 -10.835 8.199 1.864 165 HG22 THR 20 HG22 THR 20 -9.745 9.328 1.022 166 HG23 THR 20 HG23 THR 20 -10.336 9.725 2.642 167 H PHE 21 H PHE 21 -6.153 8.395 1.171 168 HA PHE 21 HA PHE 21 -4.111 6.522 1.756 169 HB2 PHE 21 HB1 PHE 21 -4.341 9.546 1.701 170 HB3 PHE 21 HB2 PHE 21 -2.858 8.812 2.314 171 HD1 PHE 21 HD2 PHE 21 -1.880 6.827 0.772 172 HD2 PHE 21 HD1 PHE 21 -4.294 10.131 -0.607 173 HE1 PHE 21 HE2 PHE 21 -0.981 6.544 -1.521 174 HE2 PHE 21 HE1 PHE 21 -3.378 9.843 -2.887 175 HZ PHE 21 HZ PHE 21 -1.732 8.035 -3.357 176 H LYS 22 H LYS 22 -5.893 8.799 3.809 177 HA LYS 22 HA LYS 22 -4.385 8.485 6.180 178 HB2 LYS 22 HB1 LYS 22 -6.243 10.227 5.485 179 HB3 LYS 22 HB2 LYS 22 -7.340 9.064 6.223 180 HG2 LYS 22 HG1 LYS 22 -5.791 9.196 8.307 181 HG3 LYS 22 HG2 LYS 22 -4.941 10.503 7.469 182 HD2 LYS 22 HD1 LYS 22 -6.510 11.596 8.894 183 HD3 LYS 22 HD2 LYS 22 -7.219 11.689 7.267 184 HE2 LYS 22 HE1 LYS 22 -8.436 9.479 7.860 185 HE3 LYS 22 HE2 LYS 22 -7.852 9.710 9.506 186 HZ1 LYS 22 HZ1 LYS 22 -10.010 10.504 9.358 187 HZ2 LYS 22 HZ2 LYS 22 -9.769 11.388 8.012 188 HZ3 LYS 22 HZ3 LYS 22 -9.112 11.875 9.444 189 H GLN 23 H GLN 23 -7.460 6.875 5.138 190 HA GLN 23 HA GLN 23 -7.642 5.192 7.379 191 HB2 GLN 23 HB1 GLN 23 -9.458 5.675 5.750 192 HB3 GLN 23 HB2 GLN 23 -8.612 4.747 4.537 193 HG2 GLN 23 HG1 GLN 23 -10.364 3.361 5.481 194 HG3 GLN 23 HG2 GLN 23 -8.836 2.697 6.025 195 HE21 GLN 23 HE22 GLN 23 -8.445 2.604 8.290 196 HE22 GLN 23 HE21 GLN 23 -9.582 3.174 9.488 197 H ILE 24 H ILE 24 -6.018 4.578 4.195 198 HA ILE 24 HA ILE 24 -5.305 1.886 4.750 199 HB ILE 24 HB ILE 24 -3.770 3.927 3.091 200 HG12 ILE 24 HG11 ILE 24 -5.669 1.801 2.027 201 HG13 ILE 24 HG12 ILE 24 -6.205 3.421 2.386 202 HG21 ILE 24 HG21 ILE 24 -3.666 0.865 2.989 203 HG22 ILE 24 HG22 ILE 24 -2.743 1.970 1.954 204 HG23 ILE 24 HG23 ILE 24 -2.392 1.887 3.671 205 HD11 ILE 24 HD11 ILE 24 -4.094 2.669 0.339 206 HD12 ILE 24 HD12 ILE 24 -5.707 3.303 0.032 207 HD13 ILE 24 HD13 ILE 24 -4.495 4.341 0.800 208 H ALA 25 H ALA 25 -3.563 4.969 5.510 209 HA ALA 25 HA ALA 25 -1.276 3.728 6.699 210 HB1 ALA 25 HB1 ALA 25 -2.493 6.428 7.415 211 HB2 ALA 25 HB2 ALA 25 -0.798 5.934 7.534 212 HB3 ALA 25 HB3 ALA 25 -1.545 6.160 5.946 213 H LEU 26 H LEU 26 -4.369 4.846 8.039 214 HA LEU 26 HA LEU 26 -3.787 4.480 10.755 215 HB2 LEU 26 HB1 LEU 26 -5.730 5.715 9.573 216 HB3 LEU 26 HB2 LEU 26 -6.514 4.142 9.452 217 HG LEU 26 HG LEU 26 -6.527 4.012 11.953 218 HD11 LEU 26 HD11 LEU 26 -5.455 6.868 11.796 219 HD12 LEU 26 HD12 LEU 26 -4.596 5.476 12.476 220 HD13 LEU 26 HD13 LEU 26 -6.060 6.062 13.263 221 HD21 LEU 26 HD21 LEU 26 -7.725 6.578 10.803 222 HD22 LEU 26 HD22 LEU 26 -8.273 5.710 12.256 223 HD23 LEU 26 HD23 LEU 26 -8.436 4.962 10.660 224 H GLU 27 H GLU 27 -5.211 2.221 8.376 225 HA GLU 27 HA GLU 27 -5.483 0.041 10.234 226 HB2 GLU 27 HB1 GLU 27 -5.516 0.230 7.197 227 HB3 GLU 27 HB2 GLU 27 -5.848 -1.262 8.092 228 HG2 GLU 27 HG1 GLU 27 -7.701 -0.126 9.290 229 HG3 GLU 27 HG2 GLU 27 -7.431 1.313 8.314 230 H SER 28 H SER 28 -3.020 0.771 7.697 231 HA SER 28 HA SER 28 -1.557 -1.689 8.160 232 HB2 SER 28 HB1 SER 28 0.015 -0.753 6.525 233 HB3 SER 28 HB2 SER 28 -1.661 -0.621 5.962 234 HG SER 28 HG SER 28 -1.693 1.478 6.356 235 H GLY 29 H GLY 29 -1.509 1.322 9.833 236 HA2 GLY 29 HA1 GLY 29 -0.183 1.917 11.675 237 HA3 GLY 29 HA2 GLY 29 0.780 0.458 11.455 238 H LEU 30 H LEU 30 0.541 2.001 8.496 239 HA LEU 30 HA LEU 30 3.302 3.048 8.617 240 HB2 LEU 30 HB1 LEU 30 1.327 2.762 6.320 241 HB3 LEU 30 HB2 LEU 30 3.000 3.281 6.158 242 HG LEU 30 HG LEU 30 2.126 0.531 7.157 243 HD11 LEU 30 HD11 LEU 30 2.963 -0.256 4.986 244 HD12 LEU 30 HD12 LEU 30 3.359 1.421 4.540 245 HD13 LEU 30 HD13 LEU 30 1.661 0.927 4.767 246 HD21 LEU 30 HD21 LEU 30 4.288 1.094 8.143 247 HD22 LEU 30 HD22 LEU 30 4.899 1.693 6.579 248 HD23 LEU 30 HD23 LEU 30 4.562 -0.032 6.821 249 H SER 31 H SER 31 3.269 5.148 6.953 250 HA SER 31 HA SER 31 1.570 7.167 8.360 251 HB2 SER 31 HB1 SER 31 4.008 7.461 8.659 252 HB3 SER 31 HB2 SER 31 4.220 7.439 6.899 253 HG SER 31 HG SER 31 3.171 9.420 8.581 254 H THR 32 H THR 32 0.555 8.740 6.985 255 HA THR 32 HA THR 32 -0.583 7.706 4.613 256 HB THR 32 HB THR 32 -1.570 9.906 4.367 257 HG1 THR 32 HG1 THR 32 -0.992 11.545 5.841 258 HG21 THR 32 HG21 THR 32 -2.324 8.414 6.239 259 HG22 THR 32 HG22 THR 32 -2.645 10.128 6.546 260 HG23 THR 32 HG23 THR 32 -1.304 9.319 7.366 261 H GLY 33 H GLY 33 2.141 9.881 5.196 262 HA2 GLY 33 HA1 GLY 33 2.822 10.587 2.559 263 HA3 GLY 33 HA2 GLY 33 3.935 10.529 3.928 264 H THR 34 H THR 34 4.165 7.930 4.634 265 HA THR 34 HA THR 34 5.899 6.736 2.920 266 HB THR 34 HB THR 34 4.006 5.372 4.879 267 HG1 THR 34 HG1 THR 34 6.261 5.215 5.896 268 HG21 THR 34 HG21 THR 34 6.420 4.244 3.429 269 HG22 THR 34 HG22 THR 34 4.758 3.689 3.335 270 HG23 THR 34 HG23 THR 34 5.639 3.481 4.843 271 H ILE 35 H ILE 35 2.390 5.851 3.097 272 HA ILE 35 HA ILE 35 2.416 3.999 0.999 273 HB ILE 35 HB ILE 35 0.224 5.814 2.031 274 HG12 ILE 35 HG11 ILE 35 0.563 2.866 2.680 275 HG13 ILE 35 HG12 ILE 35 1.499 4.039 3.586 276 HG21 ILE 35 HG21 ILE 35 -0.404 4.827 -0.194 277 HG22 ILE 35 HG22 ILE 35 -0.019 3.216 0.415 278 HG23 ILE 35 HG23 ILE 35 -1.375 4.133 1.097 279 HD11 ILE 35 HD11 ILE 35 -0.579 3.442 4.710 280 HD12 ILE 35 HD12 ILE 35 -0.461 5.181 4.343 281 HD13 ILE 35 HD13 ILE 35 -1.517 4.142 3.375 282 H SER 36 H SER 36 1.465 7.477 0.723 283 HA SER 36 HA SER 36 1.160 7.424 -2.081 284 HB2 SER 36 HB1 SER 36 1.729 9.966 -1.745 285 HB3 SER 36 HB2 SER 36 0.287 9.265 -1.034 286 HG SER 36 HG SER 36 2.621 9.330 0.525 287 H SER 37 H SER 37 4.081 7.871 -0.152 288 HA SER 37 HA SER 37 5.802 8.642 -2.303 289 HB2 SER 37 HB1 SER 37 5.941 8.865 0.350 290 HB3 SER 37 HB2 SER 37 6.774 7.312 0.237 291 HG SER 37 HG SER 37 8.253 8.915 0.153 292 H PHE 38 H PHE 38 5.116 5.518 -0.684 293 HA PHE 38 HA PHE 38 7.012 3.881 -1.971 294 HB2 PHE 38 HB1 PHE 38 5.893 3.167 0.027 295 HB3 PHE 38 HB2 PHE 38 4.304 3.401 -0.675 296 HD1 PHE 38 HD1 PHE 38 7.267 1.166 -0.629 297 HD2 PHE 38 HD2 PHE 38 3.248 1.747 -2.093 298 HE1 PHE 38 HE1 PHE 38 7.187 -1.184 -1.331 299 HE2 PHE 38 HE2 PHE 38 3.170 -0.620 -2.815 300 HZ PHE 38 HZ PHE 38 5.119 -2.102 -2.437 301 H ILE 39 H ILE 39 3.759 4.909 -2.894 302 HA ILE 39 HA ILE 39 3.557 3.222 -5.231 303 HB ILE 39 HB ILE 39 2.030 5.639 -4.178 304 HG12 ILE 39 HG11 ILE 39 1.225 2.692 -4.273 305 HG13 ILE 39 HG12 ILE 39 1.917 3.460 -2.862 306 HG21 ILE 39 HG21 ILE 39 1.767 5.445 -6.686 307 HG22 ILE 39 HG22 ILE 39 1.141 3.809 -6.432 308 HG23 ILE 39 HG23 ILE 39 0.272 5.197 -5.791 309 HD11 ILE 39 HD11 ILE 39 0.006 5.111 -2.899 310 HD12 ILE 39 HD12 ILE 39 -0.768 4.072 -4.121 311 HD13 ILE 39 HD13 ILE 39 -0.411 3.433 -2.511 312 H ASN 40 H ASN 40 4.192 6.739 -4.724 313 HA ASN 40 HA ASN 40 4.774 7.268 -7.473 314 HB2 ASN 40 HB1 ASN 40 3.923 8.906 -5.745 315 HB3 ASN 40 HB2 ASN 40 5.512 8.892 -5.002 316 HD21 ASN 40 HD22 ASN 40 4.929 8.944 -8.632 317 HD22 ASN 40 HD21 ASN 40 5.620 10.521 -8.780 318 H ASP 41 H ASP 41 6.641 5.243 -5.896 319 HA ASP 41 HA ASP 41 8.827 4.613 -5.953 320 HB2 ASP 41 HB1 ASP 41 8.590 6.226 -8.471 321 HB3 ASP 41 HB2 ASP 41 10.208 5.840 -7.946 322 H LYS 42 H LYS 42 8.035 7.219 -4.485 323 HA LYS 42 HA LYS 42 10.690 8.542 -4.325 324 HB2 LYS 42 HB1 LYS 42 8.027 9.273 -3.074 325 HB3 LYS 42 HB2 LYS 42 9.517 10.213 -2.921 326 HG2 LYS 42 HG1 LYS 42 7.861 9.702 -5.402 327 HG3 LYS 42 HG2 LYS 42 8.085 11.210 -4.550 328 HD2 LYS 42 HD1 LYS 42 10.606 10.975 -5.171 329 HD3 LYS 42 HD2 LYS 42 10.068 9.705 -6.276 330 HE2 LYS 42 HE1 LYS 42 10.159 11.658 -7.589 331 HE3 LYS 42 HE2 LYS 42 8.438 11.374 -7.288 332 HZ1 LYS 42 HZ1 LYS 42 8.575 13.099 -5.555 333 HZ2 LYS 42 HZ2 LYS 42 9.080 13.700 -7.002 334 HZ3 LYS 42 HZ3 LYS 42 10.174 13.287 -5.846 335 H TYR 43 H TYR 43 8.762 6.254 -2.448 336 HA TYR 43 HA TYR 43 10.010 6.883 0.061 337 HB2 TYR 43 HB1 TYR 43 7.964 5.409 -0.255 338 HB3 TYR 43 HB2 TYR 43 9.051 4.108 -0.733 339 HD1 TYR 43 HD1 TYR 43 8.010 6.403 1.990 340 HD2 TYR 43 HD2 TYR 43 10.424 2.960 1.017 341 HE1 TYR 43 HE1 TYR 43 8.362 5.977 4.393 342 HE2 TYR 43 HE2 TYR 43 10.788 2.537 3.437 343 HH TYR 43 HH TYR 43 10.011 4.827 5.864 344 H ASN 44 H ASN 44 11.845 5.986 1.099 345 HA ASN 44 HA ASN 44 13.577 4.123 -0.342 346 HB2 ASN 44 HB1 ASN 44 14.392 6.157 -1.315 347 HB3 ASN 44 HB2 ASN 44 14.224 7.046 0.202 348 HD21 ASN 44 HD22 ASN 44 16.055 4.300 -1.253 349 HD22 ASN 44 HD21 ASN 44 17.426 4.437 -0.157 350 H GLY 45 H GLY 45 14.926 3.057 1.095 351 HA2 GLY 45 HA1 GLY 45 16.052 3.259 3.376 352 HA3 GLY 45 HA2 GLY 45 14.395 3.428 3.993 353 H ASP 46 H ASP 46 13.080 1.612 4.125 354 HA ASP 46 HA ASP 46 14.097 -0.970 3.090 355 HB2 ASP 46 HB1 ASP 46 13.310 -2.020 5.060 356 HB3 ASP 46 HB2 ASP 46 14.451 -0.737 5.476 357 H ASN 47 H ASN 47 12.847 -0.044 1.275 358 HA ASN 47 HA ASN 47 10.069 0.205 1.182 359 HB2 ASN 47 HB1 ASN 47 11.970 -0.857 -0.950 360 HB3 ASN 47 HB2 ASN 47 10.289 -0.412 -1.234 361 HD21 ASN 47 HD22 ASN 47 10.023 1.691 -2.063 362 HD22 ASN 47 HD21 ASN 47 11.208 2.947 -1.796 363 H GLU 48 H GLU 48 12.023 -2.711 1.268 364 HA GLU 48 HA GLU 48 10.039 -4.632 0.563 365 HB2 GLU 48 HB1 GLU 48 12.373 -5.101 0.400 366 HB3 GLU 48 HB2 GLU 48 12.630 -4.786 2.117 367 HG2 GLU 48 HG1 GLU 48 12.729 -7.163 1.600 368 HG3 GLU 48 HG2 GLU 48 11.446 -6.793 2.727 369 H ARG 49 H ARG 49 10.779 -2.983 3.664 370 HA ARG 49 HA ARG 49 9.138 -4.874 5.232 371 HB2 ARG 49 HB1 ARG 49 11.185 -3.450 6.020 372 HB3 ARG 49 HB2 ARG 49 10.017 -2.128 6.142 373 HG2 ARG 49 HG1 ARG 49 8.665 -3.473 7.742 374 HG3 ARG 49 HG2 ARG 49 9.768 -4.852 7.522 375 HD2 ARG 49 HD1 ARG 49 11.663 -3.415 8.303 376 HD3 ARG 49 HD2 ARG 49 10.504 -2.113 8.632 377 HE ARG 49 HE ARG 49 9.641 -4.414 10.027 378 HH11 ARG 49 HH11 ARG 49 12.334 -2.096 10.027 379 HH12 ARG 49 HH12 ARG 49 12.521 -2.049 11.733 380 HH21 ARG 49 HH21 ARG 49 10.023 -4.539 12.363 381 HH22 ARG 49 HH22 ARG 49 11.139 -3.422 13.056 382 H VAL 50 H VAL 50 8.895 -1.670 3.749 383 HA VAL 50 HA VAL 50 6.271 -1.051 4.693 384 HB VAL 50 HB VAL 50 7.896 -0.106 2.288 385 HG11 VAL 50 HG11 VAL 50 6.373 1.823 2.165 386 HG12 VAL 50 HG12 VAL 50 5.524 0.313 1.802 387 HG13 VAL 50 HG13 VAL 50 5.338 1.073 3.408 388 HG21 VAL 50 HG21 VAL 50 8.904 0.508 4.422 389 HG22 VAL 50 HG22 VAL 50 8.123 1.938 3.737 390 HG23 VAL 50 HG23 VAL 50 7.338 1.059 5.054 391 H SER 51 H SER 51 7.445 -2.611 1.622 392 HA SER 51 HA SER 51 4.920 -2.968 0.450 393 HB2 SER 51 HB1 SER 51 6.037 -4.710 -0.893 394 HB3 SER 51 HB2 SER 51 7.020 -3.250 -0.783 395 HG SER 51 HG SER 51 7.483 -5.801 0.065 396 H GLN 52 H GLN 52 6.817 -5.194 2.562 397 HA GLN 52 HA GLN 52 4.892 -7.242 2.689 398 HB2 GLN 52 HB1 GLN 52 7.092 -6.324 4.572 399 HB3 GLN 52 HB2 GLN 52 6.106 -7.731 4.940 400 HG2 GLN 52 HG1 GLN 52 7.623 -7.441 2.318 401 HG3 GLN 52 HG2 GLN 52 8.255 -8.243 3.753 402 HE21 GLN 52 HE22 GLN 52 6.275 -8.628 0.940 403 HE22 GLN 52 HE21 GLN 52 5.688 -10.248 1.343 404 H THR 53 H THR 53 5.082 -4.244 4.695 405 HA THR 53 HA THR 53 3.018 -5.075 6.495 406 HB THR 53 HB THR 53 3.892 -2.271 5.668 407 HG1 THR 53 HG1 THR 53 5.612 -3.484 6.473 408 HG21 THR 53 HG21 THR 53 2.427 -3.283 8.152 409 HG22 THR 53 HG22 THR 53 1.770 -2.199 6.914 410 HG23 THR 53 HG23 THR 53 3.089 -1.650 7.953 411 H LEU 54 H LEU 54 3.021 -3.423 3.304 412 HA LEU 54 HA LEU 54 0.190 -2.871 3.312 413 HB2 LEU 54 HB1 LEU 54 2.228 -3.128 1.056 414 HB3 LEU 54 HB2 LEU 54 0.553 -2.662 0.810 415 HG LEU 54 HG LEU 54 2.479 -1.094 2.583 416 HD11 LEU 54 HD11 LEU 54 2.321 0.494 0.489 417 HD12 LEU 54 HD12 LEU 54 1.883 -0.965 -0.371 418 HD13 LEU 54 HD13 LEU 54 3.432 -0.893 0.469 419 HD21 LEU 54 HD21 LEU 54 0.199 -0.694 3.204 420 HD22 LEU 54 HD22 LEU 54 -0.299 -0.495 1.505 421 HD23 LEU 54 HD23 LEU 54 0.771 0.692 2.280 422 H GLN 55 H GLN 55 2.218 -5.528 2.008 423 HA GLN 55 HA GLN 55 0.252 -6.969 0.663 424 HB2 GLN 55 HB1 GLN 55 2.586 -8.102 2.282 425 HB3 GLN 55 HB2 GLN 55 1.588 -8.998 1.156 426 HG2 GLN 55 HG1 GLN 55 2.381 -6.800 -0.365 427 HG3 GLN 55 HG2 GLN 55 3.793 -7.101 0.636 428 HE21 GLN 55 HE22 GLN 55 1.448 -9.327 -1.044 429 HE22 GLN 55 HE21 GLN 55 2.745 -10.300 -1.740 430 H ARG 56 H ARG 56 1.030 -7.199 4.202 431 HA ARG 56 HA ARG 56 -0.905 -9.265 4.581 432 HB2 ARG 56 HB1 ARG 56 0.514 -7.386 6.477 433 HB3 ARG 56 HB2 ARG 56 -0.853 -8.359 7.058 434 HG2 ARG 56 HG1 ARG 56 0.181 -10.422 6.224 435 HG3 ARG 56 HG2 ARG 56 1.561 -9.511 5.597 436 HD2 ARG 56 HD1 ARG 56 2.226 -8.889 7.847 437 HD3 ARG 56 HD2 ARG 56 0.752 -9.553 8.528 438 HE ARG 56 HE ARG 56 2.905 -11.135 7.161 439 HH11 ARG 56 HH11 ARG 56 0.181 -11.073 9.408 440 HH12 ARG 56 HH12 ARG 56 0.503 -12.597 10.139 441 HH21 ARG 56 HH21 ARG 56 3.291 -13.283 7.995 442 HH22 ARG 56 HH22 ARG 56 2.355 -13.869 9.326 443 H TRP 57 H TRP 57 -1.254 -5.728 4.788 444 HA TRP 57 HA TRP 57 -3.967 -5.711 5.653 445 HB2 TRP 57 HB1 TRP 57 -2.496 -3.789 5.843 446 HB3 TRP 57 HB2 TRP 57 -2.185 -3.766 4.128 447 HD1 TRP 57 HD1 TRP 57 -4.750 -2.657 6.677 448 HE1 TRP 57 HE1 TRP 57 -6.440 -1.026 5.530 449 HE3 TRP 57 HE3 TRP 57 -3.259 -3.140 1.795 450 HZ2 TRP 57 HZ2 TRP 57 -7.025 -0.119 2.933 451 HZ3 TRP 57 HZ3 TRP 57 -4.508 -1.967 -0.006 452 HH2 TRP 57 HH2 TRP 57 -6.384 -0.438 0.558 453 H LEU 58 H LEU 58 -2.508 -5.493 2.412 454 HA LEU 58 HA LEU 58 -4.822 -5.364 0.873 455 HB2 LEU 58 HB1 LEU 58 -2.049 -5.407 0.443 456 HB3 LEU 58 HB2 LEU 58 -2.583 -6.826 -0.417 457 HG LEU 58 HG LEU 58 -3.867 -4.086 -0.690 458 HD11 LEU 58 HD11 LEU 58 -1.663 -5.314 -2.407 459 HD12 LEU 58 HD12 LEU 58 -1.510 -3.889 -1.330 460 HD13 LEU 58 HD13 LEU 58 -2.537 -3.805 -2.763 461 HD21 LEU 58 HD21 LEU 58 -4.073 -6.613 -2.326 462 HD22 LEU 58 HD22 LEU 58 -4.546 -5.011 -2.923 463 HD23 LEU 58 HD23 LEU 58 -5.314 -5.629 -1.469 464 H GLU 59 H GLU 59 -3.159 -8.205 2.158 465 HA GLU 59 HA GLU 59 -4.519 -10.211 0.642 466 HB2 GLU 59 HB1 GLU 59 -2.918 -10.081 3.171 467 HB3 GLU 59 HB2 GLU 59 -3.858 -11.536 2.907 468 HG2 GLU 59 HG1 GLU 59 -1.924 -10.466 0.821 469 HG3 GLU 59 HG2 GLU 59 -1.417 -11.504 2.149 470 H LYS 60 H LYS 60 -5.341 -8.654 3.815 471 HA LYS 60 HA LYS 60 -7.691 -10.410 4.001 472 HB2 LYS 60 HB1 LYS 60 -8.117 -9.633 6.091 473 HB3 LYS 60 HB2 LYS 60 -6.373 -9.505 5.986 474 HG2 LYS 60 HG1 LYS 60 -6.840 -7.528 7.015 475 HG3 LYS 60 HG2 LYS 60 -6.843 -7.001 5.352 476 HD2 LYS 60 HD1 LYS 60 -8.744 -5.972 6.020 477 HD3 LYS 60 HD2 LYS 60 -9.504 -7.486 5.574 478 HE2 LYS 60 HE1 LYS 60 -8.559 -6.799 8.402 479 HE3 LYS 60 HE2 LYS 60 -10.176 -6.443 7.792 480 HZ1 LYS 60 HZ1 LYS 60 -9.052 -9.169 8.138 481 HZ2 LYS 60 HZ2 LYS 60 -10.478 -8.846 7.411 482 HZ3 LYS 60 HZ3 LYS 60 -10.267 -8.483 8.974 483 H TYR 61 H TYR 61 -6.940 -7.232 2.734 484 HA TYR 61 HA TYR 61 -9.561 -6.196 2.589 485 HB2 TYR 61 HB1 TYR 61 -6.933 -5.518 1.552 486 HB3 TYR 61 HB2 TYR 61 -8.121 -5.360 0.281 487 HD1 TYR 61 HD2 TYR 61 -7.750 -4.677 3.961 488 HD2 TYR 61 HD1 TYR 61 -9.163 -3.196 0.157 489 HE1 TYR 61 HE2 TYR 61 -8.452 -2.562 5.033 490 HE2 TYR 61 HE1 TYR 61 -9.675 -1.053 1.156 491 HH TYR 61 HH TYR 61 -8.909 -0.348 4.629 492 H HIS 62 H HIS 62 -7.782 -8.013 -0.029 493 HA HIS 62 HA HIS 62 -10.392 -8.351 -1.370 494 HB2 HIS 62 HB1 HIS 62 -7.657 -9.370 -2.133 495 HB3 HIS 62 HB2 HIS 62 -9.120 -9.602 -3.098 496 HD1 HIS 62 HD1 HIS 62 -10.078 -7.364 -4.406 497 HD2 HIS 62 HD2 HIS 62 -6.627 -7.005 -2.037 498 HE1 HIS 62 HE1 HIS 62 -9.047 -5.141 -5.027 499 H ALA 63 H ALA 63 -9.565 -9.893 1.363 500 HA ALA 63 HA ALA 63 -10.977 -12.344 0.557 501 HB1 ALA 63 HB1 ALA 63 -8.538 -12.906 0.419 502 HB2 ALA 63 HB2 ALA 63 -8.368 -12.398 2.113 503 HB3 ALA 63 HB3 ALA 63 -9.386 -13.781 1.720 Start of MODEL 9 1 H1 GLY -1 H GLY -1 -1.024 -14.997 -5.769 2 HA2 GLY -1 HA1 GLY -1 -0.492 -16.286 -3.723 3 HA3 GLY -1 HA2 GLY -1 1.061 -16.681 -4.498 4 HA PRO 0 HA PRO 0 2.207 -12.797 -2.489 5 HB2 PRO 0 HB1 PRO 0 4.825 -12.657 -3.214 6 HB3 PRO 0 HB2 PRO 0 4.237 -13.875 -2.047 7 HG2 PRO 0 HG1 PRO 0 4.698 -14.226 -5.038 8 HG3 PRO 0 HG2 PRO 0 5.300 -15.270 -3.712 9 HD2 PRO 0 HD1 PRO 0 3.024 -15.854 -5.094 10 HD3 PRO 0 HD2 PRO 0 3.166 -16.196 -3.343 11 H MET 1 H MET 1 3.193 -10.626 -3.336 12 HA MET 1 HA MET 1 2.678 -10.274 -6.264 13 HB2 MET 1 HB1 MET 1 1.689 -8.688 -3.864 14 HB3 MET 1 HB2 MET 1 1.866 -7.951 -5.447 15 HG2 MET 1 HG1 MET 1 0.428 -9.843 -6.379 16 HG3 MET 1 HG2 MET 1 0.051 -10.252 -4.703 17 HE1 MET 1 HE1 MET 1 0.072 -6.970 -3.652 18 HE2 MET 1 HE2 MET 1 -1.697 -6.796 -3.592 19 HE3 MET 1 HE3 MET 1 -0.931 -8.298 -3.004 20 H ASN 2 H ASN 2 3.957 -8.735 -7.280 21 HA ASN 2 HA ASN 2 6.558 -8.238 -5.980 22 HB2 ASN 2 HB1 ASN 2 5.425 -7.527 -8.721 23 HB3 ASN 2 HB2 ASN 2 7.016 -7.010 -8.185 24 HD21 ASN 2 HD22 ASN 2 5.602 -9.347 -10.023 25 HD22 ASN 2 HD21 ASN 2 6.826 -10.595 -9.851 26 H ILE 3 H ILE 3 7.424 -5.918 -6.078 27 HA ILE 3 HA ILE 3 5.929 -4.194 -4.471 28 HB ILE 3 HB ILE 3 8.200 -3.699 -6.395 29 HG12 ILE 3 HG11 ILE 3 8.630 -5.302 -4.546 30 HG13 ILE 3 HG12 ILE 3 9.690 -3.921 -4.584 31 HG21 ILE 3 HG21 ILE 3 7.140 -1.547 -6.039 32 HG22 ILE 3 HG22 ILE 3 7.317 -1.716 -4.292 33 HG23 ILE 3 HG23 ILE 3 8.743 -1.611 -5.350 34 HD11 ILE 3 HD11 ILE 3 8.997 -4.558 -2.301 35 HD12 ILE 3 HD12 ILE 3 8.499 -2.907 -2.690 36 HD13 ILE 3 HD13 ILE 3 7.306 -4.234 -2.728 37 H SER 4 H SER 4 6.203 -4.153 -8.072 38 HA SER 4 HA SER 4 4.628 -1.847 -8.434 39 HB2 SER 4 HB1 SER 4 6.128 -3.133 -10.090 40 HB3 SER 4 HB2 SER 4 4.714 -4.153 -10.403 41 HG SER 4 HG SER 4 3.635 -2.393 -11.181 42 H ASP 5 H ASP 5 3.617 -5.332 -8.266 43 HA ASP 5 HA ASP 5 0.878 -4.897 -8.793 44 HB2 ASP 5 HB1 ASP 5 2.527 -7.066 -7.514 45 HB3 ASP 5 HB2 ASP 5 0.798 -7.053 -7.193 46 H ILE 6 H ILE 6 2.741 -4.928 -5.791 47 HA ILE 6 HA ILE 6 0.629 -4.732 -3.908 48 HB ILE 6 HB ILE 6 3.558 -3.938 -3.878 49 HG12 ILE 6 HG11 ILE 6 2.082 -6.181 -2.429 50 HG13 ILE 6 HG12 ILE 6 2.858 -6.379 -3.984 51 HG21 ILE 6 HG21 ILE 6 1.952 -4.066 -1.312 52 HG22 ILE 6 HG22 ILE 6 3.606 -3.510 -1.561 53 HG23 ILE 6 HG23 ILE 6 2.271 -2.533 -2.153 54 HD11 ILE 6 HD11 ILE 6 4.353 -7.204 -2.300 55 HD12 ILE 6 HD12 ILE 6 5.053 -5.722 -2.968 56 HD13 ILE 6 HD13 ILE 6 4.250 -5.703 -1.378 57 H ARG 7 H ARG 7 2.634 -2.056 -5.372 58 HA ARG 7 HA ARG 7 0.856 -0.086 -4.228 59 HB2 ARG 7 HB1 ARG 7 1.904 1.571 -5.680 60 HB3 ARG 7 HB2 ARG 7 3.090 0.609 -4.799 61 HG2 ARG 7 HG1 ARG 7 3.546 -0.686 -6.828 62 HG3 ARG 7 HG2 ARG 7 2.332 0.228 -7.735 63 HD2 ARG 7 HD1 ARG 7 3.586 2.239 -7.597 64 HD3 ARG 7 HD2 ARG 7 4.649 1.588 -6.335 65 HE ARG 7 HE ARG 7 4.535 0.691 -9.176 66 HH11 ARG 7 HH11 ARG 7 6.570 1.511 -6.324 67 HH12 ARG 7 HH12 ARG 7 7.968 0.709 -7.007 68 HH21 ARG 7 HH21 ARG 7 6.448 -0.468 -9.907 69 HH22 ARG 7 HH22 ARG 7 7.912 -0.342 -8.980 70 H ALA 8 H ALA 8 0.738 -1.858 -7.325 71 HA ALA 8 HA ALA 8 -1.003 -0.191 -8.722 72 HB1 ALA 8 HB1 ALA 8 -1.611 -2.170 -10.035 73 HB2 ALA 8 HB2 ALA 8 0.136 -2.067 -9.783 74 HB3 ALA 8 HB3 ALA 8 -0.841 -3.219 -8.840 75 H GLY 9 H GLY 9 -1.780 -2.722 -6.259 76 HA2 GLY 9 HA1 GLY 9 -4.602 -2.564 -6.636 77 HA3 GLY 9 HA2 GLY 9 -3.788 -3.149 -5.187 78 H LEU 10 H LEU 10 -2.434 -0.895 -4.333 79 HA LEU 10 HA LEU 10 -4.367 0.591 -2.939 80 HB2 LEU 10 HB1 LEU 10 -1.621 1.667 -3.682 81 HB3 LEU 10 HB2 LEU 10 -2.609 2.161 -2.317 82 HG LEU 10 HG LEU 10 -1.246 -0.524 -2.672 83 HD11 LEU 10 HD11 LEU 10 -0.717 1.754 -0.744 84 HD12 LEU 10 HD12 LEU 10 0.306 1.291 -2.129 85 HD13 LEU 10 HD13 LEU 10 0.110 0.180 -0.763 86 HD21 LEU 10 HD21 LEU 10 -3.036 0.524 -0.433 87 HD22 LEU 10 HD22 LEU 10 -1.990 -0.906 -0.281 88 HD23 LEU 10 HD23 LEU 10 -3.278 -0.899 -1.481 89 H ARG 11 H ARG 11 -2.613 1.533 -5.913 90 HA ARG 11 HA ARG 11 -3.829 4.131 -5.978 91 HB2 ARG 11 HB1 ARG 11 -3.096 4.345 -8.243 92 HB3 ARG 11 HB2 ARG 11 -1.807 3.714 -7.208 93 HG2 ARG 11 HG1 ARG 11 -1.978 1.548 -8.086 94 HG3 ARG 11 HG2 ARG 11 -3.469 1.892 -8.972 95 HD2 ARG 11 HD1 ARG 11 -0.730 3.082 -9.562 96 HD3 ARG 11 HD2 ARG 11 -1.502 1.775 -10.467 97 HE ARG 11 HE ARG 11 -1.965 4.596 -10.727 98 HH11 ARG 11 HH11 ARG 11 -3.420 1.420 -11.405 99 HH12 ARG 11 HH12 ARG 11 -4.768 2.076 -12.245 100 HH21 ARG 11 HH21 ARG 11 -3.893 5.478 -11.681 101 HH22 ARG 11 HH22 ARG 11 -5.006 4.406 -12.462 102 H THR 12 H THR 12 -4.924 0.967 -7.312 103 HA THR 12 HA THR 12 -7.166 2.096 -8.685 104 HB THR 12 HB THR 12 -6.365 -0.633 -7.654 105 HG1 THR 12 HG1 THR 12 -6.981 0.235 -10.286 106 HG21 THR 12 HG21 THR 12 -8.218 -1.639 -8.951 107 HG22 THR 12 HG22 THR 12 -8.962 -0.037 -9.123 108 HG23 THR 12 HG23 THR 12 -8.779 -0.777 -7.522 109 H LEU 13 H LEU 13 -6.743 0.808 -5.356 110 HA LEU 13 HA LEU 13 -9.462 1.034 -4.620 111 HB2 LEU 13 HB1 LEU 13 -6.977 1.162 -2.939 112 HB3 LEU 13 HB2 LEU 13 -8.643 1.093 -2.303 113 HG LEU 13 HG LEU 13 -7.323 -1.045 -3.940 114 HD11 LEU 13 HD11 LEU 13 -6.368 -0.859 -1.759 115 HD12 LEU 13 HD12 LEU 13 -7.317 -2.349 -1.900 116 HD13 LEU 13 HD13 LEU 13 -7.994 -0.964 -1.018 117 HD21 LEU 13 HD21 LEU 13 -9.805 -1.051 -4.294 118 HD22 LEU 13 HD22 LEU 13 -10.027 -1.071 -2.531 119 HD23 LEU 13 HD23 LEU 13 -9.276 -2.447 -3.356 120 H VAL 14 H VAL 14 -6.827 3.573 -4.269 121 HA VAL 14 HA VAL 14 -8.833 5.336 -3.073 122 HB VAL 14 HB VAL 14 -7.157 7.077 -3.120 123 HG11 VAL 14 HG11 VAL 14 -5.488 6.040 -1.667 124 HG12 VAL 14 HG12 VAL 14 -7.116 5.460 -1.295 125 HG13 VAL 14 HG13 VAL 14 -5.987 4.422 -2.199 126 HG21 VAL 14 HG21 VAL 14 -5.450 5.151 -4.725 127 HG22 VAL 14 HG22 VAL 14 -6.047 6.736 -5.236 128 HG23 VAL 14 HG23 VAL 14 -4.876 6.632 -3.921 129 H GLU 15 H GLU 15 -7.714 4.798 -6.405 130 HA GLU 15 HA GLU 15 -8.794 7.205 -7.528 131 HB2 GLU 15 HB1 GLU 15 -8.046 4.463 -8.591 132 HB3 GLU 15 HB2 GLU 15 -8.736 5.673 -9.630 133 HG2 GLU 15 HG1 GLU 15 -6.300 6.276 -7.891 134 HG3 GLU 15 HG2 GLU 15 -6.135 5.503 -9.452 135 H ASN 16 H ASN 16 -10.228 4.259 -6.491 136 HA ASN 16 HA ASN 16 -12.848 4.932 -7.766 137 HB2 ASN 16 HB1 ASN 16 -11.791 2.248 -6.814 138 HB3 ASN 16 HB2 ASN 16 -13.448 2.539 -7.348 139 HD21 ASN 16 HD22 ASN 16 -10.254 1.892 -8.358 140 HD22 ASN 16 HD21 ASN 16 -10.468 2.110 -10.092 141 H GLU 17 H GLU 17 -11.412 5.781 -5.084 142 HA GLU 17 HA GLU 17 -12.006 6.389 -3.015 143 HB2 GLU 17 HB1 GLU 17 -14.848 6.054 -4.008 144 HB3 GLU 17 HB2 GLU 17 -14.332 7.075 -2.676 145 HG2 GLU 17 HG1 GLU 17 -13.582 8.740 -4.049 146 HG3 GLU 17 HG2 GLU 17 -13.083 7.682 -5.349 147 H GLU 18 H GLU 18 -11.995 3.377 -3.745 148 HA GLU 18 HA GLU 18 -13.747 2.008 -1.981 149 HB2 GLU 18 HB1 GLU 18 -10.980 1.056 -2.783 150 HB3 GLU 18 HB2 GLU 18 -12.375 0.091 -2.370 151 HG2 GLU 18 HG1 GLU 18 -13.133 1.612 -4.659 152 HG3 GLU 18 HG2 GLU 18 -11.494 1.133 -4.948 153 H THR 19 H THR 19 -10.812 3.760 -1.428 154 HA THR 19 HA THR 19 -10.843 3.295 1.431 155 HB THR 19 HB THR 19 -9.454 1.421 0.348 156 HG1 THR 19 HG1 THR 19 -9.022 1.649 2.396 157 HG21 THR 19 HG21 THR 19 -7.298 1.822 -0.517 158 HG22 THR 19 HG22 THR 19 -7.296 3.508 0.022 159 HG23 THR 19 HG23 THR 19 -8.322 3.018 -1.330 160 H THR 20 H THR 20 -8.612 4.608 2.179 161 HA THR 20 HA THR 20 -8.183 6.999 0.544 162 HB THR 20 HB THR 20 -9.213 7.201 3.411 163 HG1 THR 20 HG1 THR 20 -10.559 7.025 1.007 164 HG21 THR 20 HG21 THR 20 -8.757 9.256 1.206 165 HG22 THR 20 HG22 THR 20 -7.894 9.127 2.757 166 HG23 THR 20 HG23 THR 20 -9.605 9.589 2.720 167 H PHE 21 H PHE 21 -6.166 8.043 1.212 168 HA PHE 21 HA PHE 21 -4.108 6.383 2.070 169 HB2 PHE 21 HB1 PHE 21 -4.382 9.404 2.255 170 HB3 PHE 21 HB2 PHE 21 -2.922 8.570 2.768 171 HD1 PHE 21 HD2 PHE 21 -1.839 6.881 1.052 172 HD2 PHE 21 HD1 PHE 21 -4.437 10.173 0.001 173 HE1 PHE 21 HE2 PHE 21 -0.999 6.815 -1.278 174 HE2 PHE 21 HE1 PHE 21 -3.559 10.110 -2.309 175 HZ PHE 21 HZ PHE 21 -1.843 8.414 -2.952 176 H LYS 22 H LYS 22 -6.094 8.516 4.166 177 HA LYS 22 HA LYS 22 -4.525 8.011 6.509 178 HB2 LYS 22 HB1 LYS 22 -6.316 9.857 6.006 179 HB3 LYS 22 HB2 LYS 22 -7.472 8.647 6.600 180 HG2 LYS 22 HG1 LYS 22 -6.238 8.502 8.736 181 HG3 LYS 22 HG2 LYS 22 -5.014 9.634 8.118 182 HD2 LYS 22 HD1 LYS 22 -6.741 11.379 7.835 183 HD3 LYS 22 HD2 LYS 22 -7.981 10.252 8.422 184 HE2 LYS 22 HE1 LYS 22 -6.784 10.087 10.601 185 HE3 LYS 22 HE2 LYS 22 -5.565 11.230 10.018 186 HZ1 LYS 22 HZ1 LYS 22 -7.252 12.332 11.297 187 HZ2 LYS 22 HZ2 LYS 22 -8.453 11.778 10.315 188 HZ3 LYS 22 HZ3 LYS 22 -7.327 12.850 9.729 189 H GLN 23 H GLN 23 -7.302 6.269 5.058 190 HA GLN 23 HA GLN 23 -7.672 4.535 7.304 191 HB2 GLN 23 HB1 GLN 23 -9.293 4.981 5.334 192 HB3 GLN 23 HB2 GLN 23 -8.322 3.855 4.397 193 HG2 GLN 23 HG1 GLN 23 -10.229 2.685 5.363 194 HG3 GLN 23 HG2 GLN 23 -8.745 2.074 6.091 195 HE21 GLN 23 HE22 GLN 23 -9.453 1.476 8.288 196 HE22 GLN 23 HE21 GLN 23 -10.261 2.618 9.287 197 H ILE 24 H ILE 24 -5.878 4.246 4.188 198 HA ILE 24 HA ILE 24 -4.843 1.659 4.624 199 HB ILE 24 HB ILE 24 -3.437 3.963 3.219 200 HG12 ILE 24 HG11 ILE 24 -5.096 1.824 1.857 201 HG13 ILE 24 HG12 ILE 24 -5.748 3.394 2.266 202 HG21 ILE 24 HG21 ILE 24 -1.963 1.996 3.780 203 HG22 ILE 24 HG22 ILE 24 -3.100 0.931 2.945 204 HG23 ILE 24 HG23 ILE 24 -2.178 2.147 2.045 205 HD11 ILE 24 HD11 ILE 24 -3.997 4.490 0.863 206 HD12 ILE 24 HD12 ILE 24 -3.409 2.884 0.379 207 HD13 ILE 24 HD13 ILE 24 -5.036 3.390 -0.057 208 H ALA 25 H ALA 25 -3.531 4.883 5.663 209 HA ALA 25 HA ALA 25 -1.204 3.896 6.937 210 HB1 ALA 25 HB1 ALA 25 -2.899 6.377 7.515 211 HB2 ALA 25 HB2 ALA 25 -1.269 6.093 8.131 212 HB3 ALA 25 HB3 ALA 25 -1.526 6.249 6.389 213 H LEU 26 H LEU 26 -4.461 4.581 8.325 214 HA LEU 26 HA LEU 26 -3.835 3.942 11.003 215 HB2 LEU 26 HB1 LEU 26 -5.870 5.132 10.376 216 HB3 LEU 26 HB2 LEU 26 -6.466 3.723 9.501 217 HG LEU 26 HG LEU 26 -6.655 2.440 11.608 218 HD11 LEU 26 HD11 LEU 26 -5.592 4.983 12.916 219 HD12 LEU 26 HD12 LEU 26 -4.952 3.341 13.036 220 HD13 LEU 26 HD13 LEU 26 -6.485 3.724 13.800 221 HD21 LEU 26 HD21 LEU 26 -8.542 3.657 12.560 222 HD22 LEU 26 HD22 LEU 26 -8.557 3.734 10.794 223 HD23 LEU 26 HD23 LEU 26 -8.027 5.146 11.735 224 H GLU 27 H GLU 27 -5.116 1.836 8.436 225 HA GLU 27 HA GLU 27 -5.251 -0.515 10.146 226 HB2 GLU 27 HB1 GLU 27 -5.329 -0.163 7.159 227 HB3 GLU 27 HB2 GLU 27 -5.762 -1.654 8.003 228 HG2 GLU 27 HG1 GLU 27 -7.239 1.019 8.173 229 HG3 GLU 27 HG2 GLU 27 -7.704 -0.365 7.183 230 H SER 28 H SER 28 -2.905 0.612 7.616 231 HA SER 28 HA SER 28 -1.309 -1.799 7.816 232 HB2 SER 28 HB1 SER 28 0.248 -0.677 6.360 233 HB3 SER 28 HB2 SER 28 -1.399 -0.374 5.773 234 HG SER 28 HG SER 28 -1.348 1.626 6.502 235 H GLY 29 H GLY 29 -1.246 1.376 9.400 236 HA2 GLY 29 HA1 GLY 29 -0.320 1.859 11.452 237 HA3 GLY 29 HA2 GLY 29 0.733 0.441 11.370 238 H LEU 30 H LEU 30 0.812 1.934 8.347 239 HA LEU 30 HA LEU 30 3.479 3.103 8.908 240 HB2 LEU 30 HB1 LEU 30 1.994 2.734 6.274 241 HB3 LEU 30 HB2 LEU 30 3.685 3.183 6.465 242 HG LEU 30 HG LEU 30 2.483 0.487 7.273 243 HD11 LEU 30 HD11 LEU 30 4.287 1.259 4.967 244 HD12 LEU 30 HD12 LEU 30 2.550 0.797 4.860 245 HD13 LEU 30 HD13 LEU 30 3.762 -0.388 5.366 246 HD21 LEU 30 HD21 LEU 30 4.395 0.975 8.703 247 HD22 LEU 30 HD22 LEU 30 5.375 1.477 7.304 248 HD23 LEU 30 HD23 LEU 30 4.883 -0.217 7.505 249 H SER 31 H SER 31 3.919 5.266 7.735 250 HA SER 31 HA SER 31 1.952 7.188 8.638 251 HB2 SER 31 HB1 SER 31 4.240 7.855 6.777 252 HB3 SER 31 HB2 SER 31 3.546 8.825 8.073 253 HG SER 31 HG SER 31 5.711 7.673 8.300 254 H THR 32 H THR 32 0.799 8.722 7.237 255 HA THR 32 HA THR 32 -0.319 7.601 4.879 256 HB THR 32 HB THR 32 -1.109 9.964 4.481 257 HG1 THR 32 HG1 THR 32 -0.608 11.506 5.948 258 HG21 THR 32 HG21 THR 32 -2.548 10.038 6.469 259 HG22 THR 32 HG22 THR 32 -1.464 8.909 7.313 260 HG23 THR 32 HG23 THR 32 -2.365 8.380 5.877 261 H GLY 33 H GLY 33 2.426 9.724 5.407 262 HA2 GLY 33 HA1 GLY 33 3.006 10.450 2.728 263 HA3 GLY 33 HA2 GLY 33 4.164 10.434 4.073 264 H THR 34 H THR 34 4.219 7.717 4.756 265 HA THR 34 HA THR 34 6.057 6.646 3.015 266 HB THR 34 HB THR 34 4.169 5.056 4.808 267 HG1 THR 34 HG1 THR 34 5.723 5.438 6.417 268 HG21 THR 34 HG21 THR 34 7.056 4.605 3.968 269 HG22 THR 34 HG22 THR 34 5.664 3.750 3.306 270 HG23 THR 34 HG23 THR 34 6.085 3.540 5.021 271 H ILE 35 H ILE 35 2.544 5.779 3.254 272 HA ILE 35 HA ILE 35 2.441 3.938 1.179 273 HB ILE 35 HB ILE 35 0.376 5.929 2.176 274 HG12 ILE 35 HG11 ILE 35 0.454 2.984 2.891 275 HG13 ILE 35 HG12 ILE 35 1.547 4.062 3.743 276 HG21 ILE 35 HG21 ILE 35 -1.329 4.332 1.306 277 HG22 ILE 35 HG22 ILE 35 -0.349 4.993 -0.004 278 HG23 ILE 35 HG23 ILE 35 -0.024 3.358 0.593 279 HD11 ILE 35 HD11 ILE 35 -1.415 4.610 3.619 280 HD12 ILE 35 HD12 ILE 35 -0.590 3.689 4.898 281 HD13 ILE 35 HD13 ILE 35 -0.188 5.394 4.622 282 H SER 36 H SER 36 1.715 7.474 0.861 283 HA SER 36 HA SER 36 1.410 7.408 -1.941 284 HB2 SER 36 HB1 SER 36 2.085 9.916 -1.662 285 HB3 SER 36 HB2 SER 36 0.618 9.279 -0.933 286 HG SER 36 HG SER 36 2.977 9.391 0.603 287 H SER 37 H SER 37 4.373 7.792 -0.007 288 HA SER 37 HA SER 37 6.052 8.468 -2.214 289 HB2 SER 37 HB1 SER 37 6.324 8.249 0.592 290 HB3 SER 37 HB2 SER 37 7.439 7.061 -0.056 291 HG SER 37 HG SER 37 7.236 9.839 -0.538 292 H PHE 38 H PHE 38 5.362 5.315 -0.650 293 HA PHE 38 HA PHE 38 7.115 3.690 -2.152 294 HB2 PHE 38 HB1 PHE 38 5.993 2.997 -0.097 295 HB3 PHE 38 HB2 PHE 38 4.412 3.160 -0.839 296 HD1 PHE 38 HD1 PHE 38 7.469 1.080 -0.669 297 HD2 PHE 38 HD2 PHE 38 3.495 1.442 -2.297 298 HE1 PHE 38 HE1 PHE 38 7.540 -1.291 -1.367 299 HE2 PHE 38 HE2 PHE 38 3.600 -0.905 -3.071 300 HZ PHE 38 HZ PHE 38 5.615 -2.285 -2.636 301 H ILE 39 H ILE 39 3.729 4.679 -2.799 302 HA ILE 39 HA ILE 39 3.451 3.179 -5.215 303 HB ILE 39 HB ILE 39 2.034 5.684 -4.235 304 HG12 ILE 39 HG11 ILE 39 0.903 2.852 -4.172 305 HG13 ILE 39 HG12 ILE 39 1.902 3.433 -2.854 306 HG21 ILE 39 HG21 ILE 39 1.204 3.757 -6.464 307 HG22 ILE 39 HG22 ILE 39 0.203 5.078 -5.824 308 HG23 ILE 39 HG23 ILE 39 1.694 5.453 -6.666 309 HD11 ILE 39 HD11 ILE 39 -0.461 3.784 -2.353 310 HD12 ILE 39 HD12 ILE 39 0.393 5.333 -2.476 311 HD13 ILE 39 HD13 ILE 39 -0.633 4.784 -3.808 312 H ASN 40 H ASN 40 4.414 6.577 -4.591 313 HA ASN 40 HA ASN 40 4.816 7.225 -7.369 314 HB2 ASN 40 HB1 ASN 40 5.569 8.601 -4.766 315 HB3 ASN 40 HB2 ASN 40 5.892 9.284 -6.358 316 HD21 ASN 40 HD22 ASN 40 4.549 11.050 -5.395 317 HD22 ASN 40 HD21 ASN 40 2.820 10.980 -5.719 318 H ASP 41 H ASP 41 6.750 5.200 -5.508 319 HA ASP 41 HA ASP 41 8.867 4.439 -5.705 320 HB2 ASP 41 HB1 ASP 41 8.174 4.394 -8.155 321 HB3 ASP 41 HB2 ASP 41 9.134 5.855 -8.375 322 H LYS 42 H LYS 42 8.277 6.899 -4.368 323 HA LYS 42 HA LYS 42 10.871 8.374 -4.492 324 HB2 LYS 42 HB1 LYS 42 8.002 9.314 -4.133 325 HB3 LYS 42 HB2 LYS 42 9.305 10.270 -3.469 326 HG2 LYS 42 HG1 LYS 42 9.070 9.540 -6.415 327 HG3 LYS 42 HG2 LYS 42 8.600 11.074 -5.670 328 HD2 LYS 42 HD1 LYS 42 11.036 11.242 -4.814 329 HD3 LYS 42 HD2 LYS 42 11.398 9.897 -5.898 330 HE2 LYS 42 HE1 LYS 42 12.004 11.848 -7.038 331 HE3 LYS 42 HE2 LYS 42 10.525 11.278 -7.812 332 HZ1 LYS 42 HZ1 LYS 42 9.331 13.044 -6.844 333 HZ2 LYS 42 HZ2 LYS 42 10.757 13.730 -7.257 334 HZ3 LYS 42 HZ3 LYS 42 10.424 13.330 -5.685 335 H TYR 43 H TYR 43 9.471 6.061 -2.652 336 HA TYR 43 HA TYR 43 9.611 7.264 -0.062 337 HB2 TYR 43 HB1 TYR 43 8.416 5.138 -0.555 338 HB3 TYR 43 HB2 TYR 43 9.948 4.366 -0.919 339 HD1 TYR 43 HD1 TYR 43 8.949 6.619 1.997 340 HD2 TYR 43 HD2 TYR 43 10.238 2.721 0.665 341 HE1 TYR 43 HE1 TYR 43 9.375 5.958 4.331 342 HE2 TYR 43 HE2 TYR 43 10.564 2.020 2.987 343 HH TYR 43 HH TYR 43 10.484 2.632 5.186 344 H ASN 44 H ASN 44 11.184 6.953 1.570 345 HA ASN 44 HA ASN 44 13.776 7.753 0.898 346 HB2 ASN 44 HB1 ASN 44 12.858 8.143 3.101 347 HB3 ASN 44 HB2 ASN 44 12.686 6.409 3.408 348 HD21 ASN 44 HD22 ASN 44 14.348 5.467 4.554 349 HD22 ASN 44 HD21 ASN 44 15.972 6.099 4.670 350 H GLY 45 H GLY 45 12.758 4.392 1.870 351 HA2 GLY 45 HA1 GLY 45 14.161 2.864 0.201 352 HA3 GLY 45 HA2 GLY 45 15.435 3.345 1.355 353 H ASP 46 H ASP 46 15.123 0.770 1.481 354 HA ASP 46 HA ASP 46 14.587 -1.029 2.751 355 HB2 ASP 46 HB1 ASP 46 13.902 1.022 4.882 356 HB3 ASP 46 HB2 ASP 46 13.870 -0.720 5.116 357 H ASN 47 H ASN 47 12.974 -0.139 0.842 358 HA ASN 47 HA ASN 47 10.216 0.090 1.208 359 HB2 ASN 47 HB1 ASN 47 11.906 -1.078 -1.034 360 HB3 ASN 47 HB2 ASN 47 10.144 -1.073 -1.110 361 HD21 ASN 47 HD22 ASN 47 13.022 1.047 -1.110 362 HD22 ASN 47 HD21 ASN 47 12.154 2.438 -1.701 363 H GLU 48 H GLU 48 12.192 -2.847 1.442 364 HA GLU 48 HA GLU 48 10.036 -4.646 1.106 365 HB2 GLU 48 HB1 GLU 48 12.851 -4.891 1.998 366 HB3 GLU 48 HB2 GLU 48 11.759 -6.135 2.608 367 HG2 GLU 48 HG1 GLU 48 12.008 -5.366 -0.331 368 HG3 GLU 48 HG2 GLU 48 12.804 -6.747 0.427 369 H ARG 49 H ARG 49 10.969 -2.820 4.009 370 HA ARG 49 HA ARG 49 9.366 -4.567 5.711 371 HB2 ARG 49 HB1 ARG 49 11.309 -2.866 6.322 372 HB3 ARG 49 HB2 ARG 49 10.020 -1.689 6.392 373 HG2 ARG 49 HG1 ARG 49 10.560 -2.600 8.610 374 HG3 ARG 49 HG2 ARG 49 8.897 -3.053 8.172 375 HD2 ARG 49 HD1 ARG 49 9.455 -5.292 7.804 376 HD3 ARG 49 HD2 ARG 49 11.130 -4.918 7.425 377 HE ARG 49 HE ARG 49 10.030 -4.816 10.221 378 HH11 ARG 49 HH11 ARG 49 12.837 -5.311 8.253 379 HH12 ARG 49 HH12 ARG 49 13.509 -6.644 9.123 380 HH21 ARG 49 HH21 ARG 49 10.961 -6.505 11.634 381 HH22 ARG 49 HH22 ARG 49 12.431 -7.264 11.154 382 H VAL 50 H VAL 50 8.807 -1.699 3.749 383 HA VAL 50 HA VAL 50 6.137 -1.171 4.641 384 HB VAL 50 HB VAL 50 7.713 -0.390 2.145 385 HG11 VAL 50 HG11 VAL 50 5.903 1.381 1.867 386 HG12 VAL 50 HG12 VAL 50 5.505 -0.263 1.374 387 HG13 VAL 50 HG13 VAL 50 4.903 0.339 2.925 388 HG21 VAL 50 HG21 VAL 50 7.727 1.844 3.219 389 HG22 VAL 50 HG22 VAL 50 6.927 1.150 4.643 390 HG23 VAL 50 HG23 VAL 50 8.557 0.620 4.178 391 H SER 51 H SER 51 7.423 -2.862 1.676 392 HA SER 51 HA SER 51 5.003 -3.531 0.515 393 HB2 SER 51 HB1 SER 51 6.289 -5.280 -0.661 394 HB3 SER 51 HB2 SER 51 7.207 -3.766 -0.532 395 HG SER 51 HG SER 51 8.450 -5.689 0.062 396 H GLN 52 H GLN 52 6.840 -5.529 2.863 397 HA GLN 52 HA GLN 52 4.968 -7.657 3.012 398 HB2 GLN 52 HB1 GLN 52 7.015 -6.568 4.996 399 HB3 GLN 52 HB2 GLN 52 6.099 -8.049 5.266 400 HG2 GLN 52 HG1 GLN 52 7.932 -7.545 2.861 401 HG3 GLN 52 HG2 GLN 52 8.354 -8.480 4.293 402 HE21 GLN 52 HE22 GLN 52 6.917 -8.688 1.117 403 HE22 GLN 52 HE21 GLN 52 6.192 -10.274 1.365 404 H THR 53 H THR 53 4.902 -4.528 4.576 405 HA THR 53 HA THR 53 2.809 -5.300 6.471 406 HB THR 53 HB THR 53 3.939 -2.571 5.732 407 HG1 THR 53 HG1 THR 53 5.557 -3.628 6.695 408 HG21 THR 53 HG21 THR 53 3.020 -1.885 7.949 409 HG22 THR 53 HG22 THR 53 2.220 -3.462 8.092 410 HG23 THR 53 HG23 THR 53 1.744 -2.336 6.811 411 H LEU 54 H LEU 54 3.056 -3.680 3.326 412 HA LEU 54 HA LEU 54 0.261 -2.921 3.123 413 HB2 LEU 54 HB1 LEU 54 2.508 -3.156 1.072 414 HB3 LEU 54 HB2 LEU 54 0.888 -2.612 0.705 415 HG LEU 54 HG LEU 54 2.744 -1.165 2.624 416 HD11 LEU 54 HD11 LEU 54 2.041 -0.690 -0.292 417 HD12 LEU 54 HD12 LEU 54 3.617 -1.088 0.374 418 HD13 LEU 54 HD13 LEU 54 2.883 0.488 0.738 419 HD21 LEU 54 HD21 LEU 54 1.075 0.696 2.326 420 HD22 LEU 54 HD22 LEU 54 0.433 -0.693 3.207 421 HD23 LEU 54 HD23 LEU 54 -0.001 -0.456 1.504 422 H GLN 55 H GLN 55 2.171 -5.745 2.242 423 HA GLN 55 HA GLN 55 0.375 -7.046 0.471 424 HB2 GLN 55 HB1 GLN 55 2.572 -7.925 2.367 425 HB3 GLN 55 HB2 GLN 55 1.559 -9.144 1.631 426 HG2 GLN 55 HG1 GLN 55 2.676 -7.087 -0.230 427 HG3 GLN 55 HG2 GLN 55 3.829 -8.185 0.513 428 HE21 GLN 55 HE22 GLN 55 0.435 -9.134 -0.362 429 HE22 GLN 55 HE21 GLN 55 0.900 -10.333 -1.495 430 H ARG 56 H ARG 56 0.810 -7.589 4.001 431 HA ARG 56 HA ARG 56 -1.450 -9.236 4.336 432 HB2 ARG 56 HB1 ARG 56 0.213 -7.465 6.131 433 HB3 ARG 56 HB2 ARG 56 -1.298 -8.116 6.783 434 HG2 ARG 56 HG1 ARG 56 -0.664 -10.359 6.367 435 HG3 ARG 56 HG2 ARG 56 0.740 -9.907 5.404 436 HD2 ARG 56 HD1 ARG 56 0.473 -9.112 8.325 437 HD3 ARG 56 HD2 ARG 56 1.110 -10.688 7.839 438 HE ARG 56 HE ARG 56 2.632 -9.086 6.316 439 HH11 ARG 56 HH11 ARG 56 1.984 -9.218 9.815 440 HH12 ARG 56 HH12 ARG 56 3.539 -8.650 10.282 441 HH21 ARG 56 HH21 ARG 56 4.657 -8.231 6.911 442 HH22 ARG 56 HH22 ARG 56 5.059 -7.927 8.577 443 H TRP 57 H TRP 57 -1.288 -5.673 4.394 444 HA TRP 57 HA TRP 57 -3.946 -5.254 5.298 445 HB2 TRP 57 HB1 TRP 57 -2.206 -3.517 5.315 446 HB3 TRP 57 HB2 TRP 57 -2.099 -3.561 3.561 447 HD1 TRP 57 HD1 TRP 57 -4.419 -2.462 6.372 448 HE1 TRP 57 HE1 TRP 57 -6.197 -0.837 5.476 449 HE3 TRP 57 HE3 TRP 57 -3.387 -2.793 1.395 450 HZ2 TRP 57 HZ2 TRP 57 -7.036 0.220 2.935 451 HZ3 TRP 57 HZ3 TRP 57 -4.852 -1.602 -0.249 452 HH2 TRP 57 HH2 TRP 57 -6.648 -0.129 0.488 453 H LEU 58 H LEU 58 -2.599 -5.446 1.922 454 HA LEU 58 HA LEU 58 -5.183 -5.005 0.806 455 HB2 LEU 58 HB1 LEU 58 -2.579 -5.131 -0.169 456 HB3 LEU 58 HB2 LEU 58 -3.401 -6.448 -1.026 457 HG LEU 58 HG LEU 58 -4.379 -3.594 -0.757 458 HD11 LEU 58 HD11 LEU 58 -3.236 -4.903 -3.255 459 HD12 LEU 58 HD12 LEU 58 -2.296 -3.862 -2.164 460 HD13 LEU 58 HD13 LEU 58 -3.685 -3.195 -3.016 461 HD21 LEU 58 HD21 LEU 58 -5.513 -5.870 -2.322 462 HD22 LEU 58 HD22 LEU 58 -5.864 -4.155 -2.699 463 HD23 LEU 58 HD23 LEU 58 -6.294 -4.812 -1.119 464 H GLU 59 H GLU 59 -3.417 -8.028 1.533 465 HA GLU 59 HA GLU 59 -5.208 -9.757 0.165 466 HB2 GLU 59 HB1 GLU 59 -3.507 -10.278 2.647 467 HB3 GLU 59 HB2 GLU 59 -4.396 -11.511 1.740 468 HG2 GLU 59 HG1 GLU 59 -3.099 -10.577 -0.343 469 HG3 GLU 59 HG2 GLU 59 -1.986 -9.924 0.834 470 H LYS 60 H LYS 60 -5.349 -8.381 3.469 471 HA LYS 60 HA LYS 60 -7.803 -9.811 4.054 472 HB2 LYS 60 HB1 LYS 60 -7.748 -9.017 6.151 473 HB3 LYS 60 HB2 LYS 60 -6.056 -9.047 5.735 474 HG2 LYS 60 HG1 LYS 60 -6.133 -7.025 6.825 475 HG3 LYS 60 HG2 LYS 60 -6.410 -6.494 5.191 476 HD2 LYS 60 HD1 LYS 60 -7.954 -5.280 6.343 477 HD3 LYS 60 HD2 LYS 60 -8.958 -6.590 5.783 478 HE2 LYS 60 HE1 LYS 60 -7.745 -6.251 8.563 479 HE3 LYS 60 HE2 LYS 60 -9.414 -5.962 8.097 480 HZ1 LYS 60 HZ1 LYS 60 -9.260 -8.093 9.156 481 HZ2 LYS 60 HZ2 LYS 60 -8.047 -8.587 8.192 482 HZ3 LYS 60 HZ3 LYS 60 -9.567 -8.377 7.567 483 H TYR 61 H TYR 61 -7.037 -6.687 2.593 484 HA TYR 61 HA TYR 61 -9.615 -5.495 2.929 485 HB2 TYR 61 HB1 TYR 61 -7.162 -4.848 1.628 486 HB3 TYR 61 HB2 TYR 61 -8.355 -4.868 0.364 487 HD1 TYR 61 HD2 TYR 61 -8.056 -3.759 3.948 488 HD2 TYR 61 HD1 TYR 61 -9.383 -2.759 -0.033 489 HE1 TYR 61 HE2 TYR 61 -8.836 -1.606 4.784 490 HE2 TYR 61 HE1 TYR 61 -10.087 -0.542 0.739 491 HH TYR 61 HH TYR 61 -10.568 0.318 3.927 492 H HIS 62 H HIS 62 -8.182 -7.527 0.374 493 HA HIS 62 HA HIS 62 -10.699 -7.898 -1.045 494 HB2 HIS 62 HB1 HIS 62 -7.955 -9.142 -1.265 495 HB3 HIS 62 HB2 HIS 62 -9.319 -9.733 -2.208 496 HD1 HIS 62 HD1 HIS 62 -9.546 -8.655 -4.526 497 HD2 HIS 62 HD2 HIS 62 -7.911 -6.133 -1.591 498 HE1 HIS 62 HE1 HIS 62 -8.916 -6.509 -5.714 499 H ALA 63 H ALA 63 -10.265 -8.954 2.015 500 HA ALA 63 HA ALA 63 -11.919 -11.342 1.655 501 HB1 ALA 63 HB1 ALA 63 -9.656 -12.317 1.827 502 HB2 ALA 63 HB2 ALA 63 -9.323 -11.325 3.270 503 HB3 ALA 63 HB3 ALA 63 -10.559 -12.590 3.320 Start of MODEL 10 1 H1 GLY -1 H GLY -1 1.975 -17.842 -7.284 2 HA2 GLY -1 HA1 GLY -1 3.640 -17.590 -5.508 3 HA3 GLY -1 HA2 GLY -1 4.197 -16.879 -7.036 4 HA PRO 0 HA PRO 0 4.398 -13.586 -3.779 5 HB2 PRO 0 HB1 PRO 0 6.946 -12.717 -4.176 6 HB3 PRO 0 HB2 PRO 0 6.580 -14.179 -3.209 7 HG2 PRO 0 HG1 PRO 0 7.477 -14.035 -6.107 8 HG3 PRO 0 HG2 PRO 0 8.074 -15.113 -4.812 9 HD2 PRO 0 HD1 PRO 0 6.168 -15.875 -6.654 10 HD3 PRO 0 HD2 PRO 0 6.231 -16.507 -4.982 11 H MET 1 H MET 1 3.249 -11.886 -4.561 12 HA MET 1 HA MET 1 3.302 -11.012 -7.348 13 HB2 MET 1 HB1 MET 1 1.833 -9.282 -6.628 14 HB3 MET 1 HB2 MET 1 1.337 -10.785 -5.847 15 HG2 MET 1 HG1 MET 1 2.700 -9.977 -3.811 16 HG3 MET 1 HG2 MET 1 2.803 -8.421 -4.623 17 HE1 MET 1 HE1 MET 1 -0.059 -8.255 -6.023 18 HE2 MET 1 HE2 MET 1 -1.106 -7.528 -4.798 19 HE3 MET 1 HE3 MET 1 0.511 -6.851 -5.098 20 H ASN 2 H ASN 2 4.334 -9.154 -8.223 21 HA ASN 2 HA ASN 2 6.812 -8.542 -6.774 22 HB2 ASN 2 HB1 ASN 2 5.748 -7.669 -9.469 23 HB3 ASN 2 HB2 ASN 2 7.130 -6.880 -8.743 24 HD21 ASN 2 HD22 ASN 2 8.396 -9.227 -7.448 25 HD22 ASN 2 HD21 ASN 2 8.985 -10.197 -8.767 26 H ILE 3 H ILE 3 7.521 -6.392 -6.402 27 HA ILE 3 HA ILE 3 5.772 -5.047 -4.648 28 HB ILE 3 HB ILE 3 8.425 -4.308 -5.924 29 HG12 ILE 3 HG11 ILE 3 7.506 -5.575 -3.294 30 HG13 ILE 3 HG12 ILE 3 8.512 -6.315 -4.540 31 HG21 ILE 3 HG21 ILE 3 7.163 -2.260 -5.092 32 HG22 ILE 3 HG22 ILE 3 7.273 -2.987 -3.469 33 HG23 ILE 3 HG23 ILE 3 8.738 -2.579 -4.373 34 HD11 ILE 3 HD11 ILE 3 9.923 -5.811 -2.713 35 HD12 ILE 3 HD12 ILE 3 10.287 -4.586 -3.953 36 HD13 ILE 3 HD13 ILE 3 9.246 -4.184 -2.554 37 H SER 4 H SER 4 6.373 -4.573 -8.099 38 HA SER 4 HA SER 4 5.088 -2.102 -8.428 39 HB2 SER 4 HB1 SER 4 5.271 -4.472 -10.331 40 HB3 SER 4 HB2 SER 4 5.069 -2.776 -10.793 41 HG SER 4 HG SER 4 7.120 -2.323 -10.091 42 H ASP 5 H ASP 5 3.693 -5.498 -8.130 43 HA ASP 5 HA ASP 5 1.073 -4.710 -8.990 44 HB2 ASP 5 HB1 ASP 5 1.987 -7.041 -7.239 45 HB3 ASP 5 HB2 ASP 5 0.381 -6.842 -7.929 46 H ILE 6 H ILE 6 2.727 -5.057 -5.863 47 HA ILE 6 HA ILE 6 0.562 -4.710 -4.123 48 HB ILE 6 HB ILE 6 3.441 -3.783 -3.740 49 HG12 ILE 6 HG11 ILE 6 2.062 -6.370 -2.874 50 HG13 ILE 6 HG12 ILE 6 3.108 -6.230 -4.281 51 HG21 ILE 6 HG21 ILE 6 2.998 -3.865 -1.335 52 HG22 ILE 6 HG22 ILE 6 1.891 -2.725 -2.088 53 HG23 ILE 6 HG23 ILE 6 1.311 -4.340 -1.629 54 HD11 ILE 6 HD11 ILE 6 4.400 -7.183 -2.530 55 HD12 ILE 6 HD12 ILE 6 4.994 -5.541 -2.808 56 HD13 ILE 6 HD13 ILE 6 3.980 -5.878 -1.405 57 H ARG 7 H ARG 7 2.710 -2.092 -5.401 58 HA ARG 7 HA ARG 7 0.941 -0.055 -4.316 59 HB2 ARG 7 HB1 ARG 7 2.117 1.529 -5.860 60 HB3 ARG 7 HB2 ARG 7 3.136 0.709 -4.686 61 HG2 ARG 7 HG1 ARG 7 3.981 -0.799 -6.405 62 HG3 ARG 7 HG2 ARG 7 2.907 -0.118 -7.616 63 HD2 ARG 7 HD1 ARG 7 3.983 1.979 -7.630 64 HD3 ARG 7 HD2 ARG 7 4.783 1.714 -6.083 65 HE ARG 7 HE ARG 7 5.646 0.841 -8.717 66 HH11 ARG 7 HH11 ARG 7 6.252 0.725 -5.219 67 HH12 ARG 7 HH12 ARG 7 7.793 -0.042 -5.364 68 HH21 ARG 7 HH21 ARG 7 7.639 -0.186 -8.916 69 HH22 ARG 7 HH22 ARG 7 8.544 -0.731 -7.536 70 H ALA 8 H ALA 8 0.938 -1.797 -7.406 71 HA ALA 8 HA ALA 8 -0.756 0.028 -8.802 72 HB1 ALA 8 HB1 ALA 8 0.434 -1.782 -9.962 73 HB2 ALA 8 HB2 ALA 8 -0.520 -3.007 -9.090 74 HB3 ALA 8 HB3 ALA 8 -1.320 -1.923 -10.216 75 H GLY 9 H GLY 9 -1.629 -2.830 -6.736 76 HA2 GLY 9 HA1 GLY 9 -4.425 -2.632 -7.140 77 HA3 GLY 9 HA2 GLY 9 -3.662 -3.306 -5.695 78 H LEU 10 H LEU 10 -2.296 -0.929 -4.842 79 HA LEU 10 HA LEU 10 -4.389 0.336 -3.375 80 HB2 LEU 10 HB1 LEU 10 -1.612 1.384 -3.863 81 HB3 LEU 10 HB2 LEU 10 -2.689 1.913 -2.572 82 HG LEU 10 HG LEU 10 -1.636 -0.928 -2.819 83 HD11 LEU 10 HD11 LEU 10 -0.766 1.194 -0.838 84 HD12 LEU 10 HD12 LEU 10 0.152 0.731 -2.290 85 HD13 LEU 10 HD13 LEU 10 -0.151 -0.471 -1.027 86 HD21 LEU 10 HD21 LEU 10 -2.474 -1.274 -0.580 87 HD22 LEU 10 HD22 LEU 10 -3.800 -0.775 -1.620 88 HD23 LEU 10 HD23 LEU 10 -3.093 0.409 -0.508 89 H ARG 11 H ARG 11 -2.879 1.194 -6.462 90 HA ARG 11 HA ARG 11 -3.887 3.879 -6.636 91 HB2 ARG 11 HB1 ARG 11 -3.812 1.907 -8.992 92 HB3 ARG 11 HB2 ARG 11 -3.847 3.651 -9.069 93 HG2 ARG 11 HG1 ARG 11 -1.532 1.932 -8.141 94 HG3 ARG 11 HG2 ARG 11 -1.699 2.775 -9.681 95 HD2 ARG 11 HD1 ARG 11 -1.911 4.934 -8.272 96 HD3 ARG 11 HD2 ARG 11 -1.388 3.916 -6.915 97 HE ARG 11 HE ARG 11 0.732 3.810 -7.752 98 HH11 ARG 11 HH11 ARG 11 -1.268 5.443 -10.215 99 HH12 ARG 11 HH12 ARG 11 0.026 5.539 -11.351 100 HH21 ARG 11 HH21 ARG 11 2.484 4.343 -9.052 101 HH22 ARG 11 HH22 ARG 11 2.236 5.129 -10.580 102 H THR 12 H THR 12 -5.223 0.692 -7.694 103 HA THR 12 HA THR 12 -7.666 1.530 -8.620 104 HB THR 12 HB THR 12 -7.182 -1.081 -7.122 105 HG1 THR 12 HG1 THR 12 -6.393 -1.804 -9.197 106 HG21 THR 12 HG21 THR 12 -8.706 -1.999 -8.797 107 HG22 THR 12 HG22 THR 12 -8.832 -0.403 -9.580 108 HG23 THR 12 HG23 THR 12 -9.470 -0.657 -7.947 109 H LEU 13 H LEU 13 -6.792 0.560 -5.282 110 HA LEU 13 HA LEU 13 -9.312 0.851 -4.103 111 HB2 LEU 13 HB1 LEU 13 -6.477 1.022 -3.095 112 HB3 LEU 13 HB2 LEU 13 -7.720 1.656 -2.061 113 HG LEU 13 HG LEU 13 -7.150 -0.580 -1.433 114 HD11 LEU 13 HD11 LEU 13 -9.940 -0.595 -2.623 115 HD12 LEU 13 HD12 LEU 13 -9.479 0.136 -1.050 116 HD13 LEU 13 HD13 LEU 13 -9.353 -1.598 -1.336 117 HD21 LEU 13 HD21 LEU 13 -6.458 -1.602 -3.502 118 HD22 LEU 13 HD22 LEU 13 -8.130 -1.521 -4.140 119 HD23 LEU 13 HD23 LEU 13 -7.744 -2.530 -2.736 120 H VAL 14 H VAL 14 -6.781 3.411 -4.478 121 HA VAL 14 HA VAL 14 -8.663 5.310 -3.252 122 HB VAL 14 HB VAL 14 -7.038 7.041 -3.558 123 HG11 VAL 14 HG11 VAL 14 -5.362 6.127 -2.043 124 HG12 VAL 14 HG12 VAL 14 -6.962 5.505 -1.618 125 HG13 VAL 14 HG13 VAL 14 -5.824 4.460 -2.491 126 HG21 VAL 14 HG21 VAL 14 -5.256 4.989 -4.934 127 HG22 VAL 14 HG22 VAL 14 -6.021 6.392 -5.704 128 HG23 VAL 14 HG23 VAL 14 -4.804 6.635 -4.448 129 H GLU 15 H GLU 15 -7.824 4.504 -6.586 130 HA GLU 15 HA GLU 15 -9.016 6.752 -7.888 131 HB2 GLU 15 HB1 GLU 15 -8.615 3.852 -8.713 132 HB3 GLU 15 HB2 GLU 15 -9.187 5.080 -9.835 133 HG2 GLU 15 HG1 GLU 15 -6.645 5.742 -8.431 134 HG3 GLU 15 HG2 GLU 15 -6.575 4.303 -9.442 135 H ASN 16 H ASN 16 -10.339 3.731 -6.555 136 HA ASN 16 HA ASN 16 -13.059 4.375 -7.564 137 HB2 ASN 16 HB1 ASN 16 -11.812 1.889 -6.325 138 HB3 ASN 16 HB2 ASN 16 -13.534 2.055 -6.652 139 HD21 ASN 16 HD22 ASN 16 -10.365 1.738 -8.120 140 HD22 ASN 16 HD21 ASN 16 -10.934 1.351 -9.750 141 H GLU 17 H GLU 17 -11.350 5.572 -5.203 142 HA GLU 17 HA GLU 17 -11.537 6.225 -3.072 143 HB2 GLU 17 HB1 GLU 17 -14.287 6.775 -4.190 144 HB3 GLU 17 HB2 GLU 17 -13.794 7.260 -2.560 145 HG2 GLU 17 HG1 GLU 17 -11.778 8.414 -3.624 146 HG3 GLU 17 HG2 GLU 17 -12.594 8.191 -5.179 147 H GLU 18 H GLU 18 -11.837 3.402 -3.337 148 HA GLU 18 HA GLU 18 -13.771 2.228 -1.636 149 HB2 GLU 18 HB1 GLU 18 -10.875 1.508 -2.172 150 HB3 GLU 18 HB2 GLU 18 -12.060 0.386 -1.524 151 HG2 GLU 18 HG1 GLU 18 -12.431 1.753 -4.227 152 HG3 GLU 18 HG2 GLU 18 -11.429 0.356 -4.099 153 H THR 19 H THR 19 -10.666 3.806 -1.070 154 HA THR 19 HA THR 19 -11.296 4.322 1.681 155 HB THR 19 HB THR 19 -10.319 2.042 1.766 156 HG1 THR 19 HG1 THR 19 -9.997 3.480 3.474 157 HG21 THR 19 HG21 THR 19 -8.799 2.186 -0.174 158 HG22 THR 19 HG22 THR 19 -7.961 1.666 1.296 159 HG23 THR 19 HG23 THR 19 -7.772 3.332 0.712 160 H THR 20 H THR 20 -9.240 5.556 2.584 161 HA THR 20 HA THR 20 -8.237 7.451 0.517 162 HB THR 20 HB THR 20 -8.760 8.213 3.377 163 HG1 THR 20 HG1 THR 20 -10.781 7.885 1.440 164 HG21 THR 20 HG21 THR 20 -9.233 10.426 2.466 165 HG22 THR 20 HG22 THR 20 -9.092 9.808 0.815 166 HG23 THR 20 HG23 THR 20 -7.663 9.846 1.866 167 H PHE 21 H PHE 21 -5.999 8.200 0.975 168 HA PHE 21 HA PHE 21 -4.244 6.246 1.862 169 HB2 PHE 21 HB1 PHE 21 -3.808 9.247 1.933 170 HB3 PHE 21 HB2 PHE 21 -2.531 8.079 2.166 171 HD1 PHE 21 HD2 PHE 21 -1.698 6.699 0.266 172 HD2 PHE 21 HD1 PHE 21 -4.782 9.670 -0.293 173 HE1 PHE 21 HE2 PHE 21 -1.334 6.644 -2.197 174 HE2 PHE 21 HE1 PHE 21 -4.450 9.549 -2.743 175 HZ PHE 21 HZ PHE 21 -2.702 8.059 -3.697 176 H LYS 22 H LYS 22 -5.682 8.788 3.906 177 HA LYS 22 HA LYS 22 -4.173 8.395 6.246 178 HB2 LYS 22 HB1 LYS 22 -6.014 9.405 7.465 179 HB3 LYS 22 HB2 LYS 22 -5.548 10.285 6.004 180 HG2 LYS 22 HG1 LYS 22 -7.440 9.045 4.828 181 HG3 LYS 22 HG2 LYS 22 -7.939 8.499 6.427 182 HD2 LYS 22 HD1 LYS 22 -9.354 10.274 5.944 183 HD3 LYS 22 HD2 LYS 22 -8.184 10.959 7.067 184 HE2 LYS 22 HE1 LYS 22 -7.928 11.184 4.027 185 HE3 LYS 22 HE2 LYS 22 -8.931 12.299 4.964 186 HZ1 LYS 22 HZ1 LYS 22 -6.967 12.929 6.207 187 HZ2 LYS 22 HZ2 LYS 22 -6.792 13.210 4.589 188 HZ3 LYS 22 HZ3 LYS 22 -6.023 11.953 5.247 189 H GLN 23 H GLN 23 -7.221 6.772 5.346 190 HA GLN 23 HA GLN 23 -7.286 5.108 7.640 191 HB2 GLN 23 HB1 GLN 23 -9.248 5.564 6.211 192 HB3 GLN 23 HB2 GLN 23 -8.499 4.685 4.885 193 HG2 GLN 23 HG1 GLN 23 -10.187 3.287 5.950 194 HG3 GLN 23 HG2 GLN 23 -8.606 2.583 6.252 195 HE21 GLN 23 HE22 GLN 23 -10.205 1.525 8.077 196 HE22 GLN 23 HE21 GLN 23 -10.070 2.410 9.577 197 H ILE 24 H ILE 24 -5.772 4.653 4.418 198 HA ILE 24 HA ILE 24 -5.058 1.933 4.815 199 HB ILE 24 HB ILE 24 -3.475 4.017 3.247 200 HG12 ILE 24 HG11 ILE 24 -5.626 2.097 2.241 201 HG13 ILE 24 HG12 ILE 24 -5.870 3.812 2.491 202 HG21 ILE 24 HG21 ILE 24 -2.205 1.916 3.743 203 HG22 ILE 24 HG22 ILE 24 -3.554 0.975 3.086 204 HG23 ILE 24 HG23 ILE 24 -2.583 2.025 2.033 205 HD11 ILE 24 HD11 ILE 24 -4.060 2.524 0.428 206 HD12 ILE 24 HD12 ILE 24 -5.480 3.539 0.166 207 HD13 ILE 24 HD13 ILE 24 -3.998 4.255 0.825 208 H ALA 25 H ALA 25 -3.335 4.977 5.742 209 HA ALA 25 HA ALA 25 -1.054 3.708 6.916 210 HB1 ALA 25 HB1 ALA 25 -0.687 5.873 7.993 211 HB2 ALA 25 HB2 ALA 25 -1.291 6.176 6.343 212 HB3 ALA 25 HB3 ALA 25 -2.363 6.353 7.735 213 H LEU 26 H LEU 26 -4.071 4.830 8.377 214 HA LEU 26 HA LEU 26 -3.542 4.179 11.021 215 HB2 LEU 26 HB1 LEU 26 -5.460 5.519 10.149 216 HB3 LEU 26 HB2 LEU 26 -6.191 4.056 9.504 217 HG LEU 26 HG LEU 26 -6.471 3.142 11.756 218 HD11 LEU 26 HD11 LEU 26 -4.600 4.024 12.979 219 HD12 LEU 26 HD12 LEU 26 -6.042 4.699 13.710 220 HD13 LEU 26 HD13 LEU 26 -5.064 5.706 12.614 221 HD21 LEU 26 HD21 LEU 26 -7.479 6.006 11.477 222 HD22 LEU 26 HD22 LEU 26 -8.129 4.790 12.599 223 HD23 LEU 26 HD23 LEU 26 -8.259 4.531 10.865 224 H GLU 27 H GLU 27 -5.173 2.139 8.581 225 HA GLU 27 HA GLU 27 -5.362 -0.183 10.266 226 HB2 GLU 27 HB1 GLU 27 -5.636 0.443 7.329 227 HB3 GLU 27 HB2 GLU 27 -6.058 -1.152 7.973 228 HG2 GLU 27 HG1 GLU 27 -7.384 1.440 8.865 229 HG3 GLU 27 HG2 GLU 27 -8.060 0.273 7.714 230 H SER 28 H SER 28 -2.790 0.817 8.030 231 HA SER 28 HA SER 28 -1.803 -1.979 7.764 232 HB2 SER 28 HB1 SER 28 -0.166 -0.997 6.233 233 HB3 SER 28 HB2 SER 28 -1.810 -0.509 5.774 234 HG SER 28 HG SER 28 -1.523 1.433 6.477 235 H GLY 29 H GLY 29 -1.262 0.893 9.614 236 HA2 GLY 29 HA1 GLY 29 0.113 1.017 11.582 237 HA3 GLY 29 HA2 GLY 29 0.998 -0.422 11.067 238 H LEU 30 H LEU 30 0.715 1.508 8.364 239 HA LEU 30 HA LEU 30 3.490 2.565 8.562 240 HB2 LEU 30 HB1 LEU 30 1.488 2.497 6.265 241 HB3 LEU 30 HB2 LEU 30 3.150 3.034 6.125 242 HG LEU 30 HG LEU 30 2.423 0.209 6.942 243 HD11 LEU 30 HD11 LEU 30 2.976 1.343 4.179 244 HD12 LEU 30 HD12 LEU 30 1.478 0.597 4.765 245 HD13 LEU 30 HD13 LEU 30 2.933 -0.390 4.580 246 HD21 LEU 30 HD21 LEU 30 4.727 0.901 7.527 247 HD22 LEU 30 HD22 LEU 30 5.007 1.444 5.863 248 HD23 LEU 30 HD23 LEU 30 4.752 -0.278 6.223 249 H SER 31 H SER 31 3.367 4.778 7.047 250 HA SER 31 HA SER 31 1.475 6.600 8.450 251 HB2 SER 31 HB1 SER 31 3.995 6.753 9.039 252 HB3 SER 31 HB2 SER 31 4.190 7.458 7.420 253 HG SER 31 HG SER 31 2.462 8.316 9.531 254 H THR 32 H THR 32 0.516 8.221 7.098 255 HA THR 32 HA THR 32 -0.280 7.473 4.592 256 HB THR 32 HB THR 32 -0.076 10.362 5.170 257 HG1 THR 32 HG1 THR 32 -1.381 10.332 6.934 258 HG21 THR 32 HG21 THR 32 -1.561 9.679 3.444 259 HG22 THR 32 HG22 THR 32 -2.513 10.343 4.782 260 HG23 THR 32 HG23 THR 32 -2.403 8.584 4.573 261 H GLY 33 H GLY 33 2.285 9.877 5.420 262 HA2 GLY 33 HA1 GLY 33 3.065 10.588 2.839 263 HA3 GLY 33 HA2 GLY 33 4.108 10.624 4.269 264 H THR 34 H THR 34 4.116 7.746 4.798 265 HA THR 34 HA THR 34 6.212 6.909 3.047 266 HB THR 34 HB THR 34 4.596 5.566 5.243 267 HG1 THR 34 HG1 THR 34 7.330 6.174 5.304 268 HG21 THR 34 HG21 THR 34 6.454 3.836 5.243 269 HG22 THR 34 HG22 THR 34 6.835 4.404 3.591 270 HG23 THR 34 HG23 THR 34 5.247 3.715 3.954 271 H ILE 35 H ILE 35 2.810 5.693 3.484 272 HA ILE 35 HA ILE 35 2.831 3.767 1.447 273 HB ILE 35 HB ILE 35 0.576 5.586 2.392 274 HG12 ILE 35 HG11 ILE 35 0.874 2.686 3.174 275 HG13 ILE 35 HG12 ILE 35 1.842 3.882 4.025 276 HG21 ILE 35 HG21 ILE 35 -0.979 3.803 1.532 277 HG22 ILE 35 HG22 ILE 35 -0.097 4.602 0.246 278 HG23 ILE 35 HG23 ILE 35 0.407 2.988 0.787 279 HD11 ILE 35 HD11 ILE 35 -1.165 4.177 3.721 280 HD12 ILE 35 HD12 ILE 35 -0.363 3.329 5.047 281 HD13 ILE 35 HD13 ILE 35 -0.066 5.073 4.781 282 H SER 36 H SER 36 1.770 7.167 1.245 283 HA SER 36 HA SER 36 1.193 7.242 -1.502 284 HB2 SER 36 HB1 SER 36 0.408 8.996 -0.147 285 HB3 SER 36 HB2 SER 36 1.948 9.199 0.690 286 HG SER 36 HG SER 36 2.609 10.545 -0.650 287 H SER 37 H SER 37 4.349 7.820 0.173 288 HA SER 37 HA SER 37 5.691 8.505 -2.265 289 HB2 SER 37 HB1 SER 37 6.285 9.080 0.110 290 HB3 SER 37 HB2 SER 37 6.986 7.455 0.260 291 HG SER 37 HG SER 37 8.249 9.482 -0.445 292 H PHE 38 H PHE 38 5.226 5.385 -0.536 293 HA PHE 38 HA PHE 38 7.067 3.843 -2.086 294 HB2 PHE 38 HB1 PHE 38 6.210 2.991 -0.014 295 HB3 PHE 38 HB2 PHE 38 4.541 3.170 -0.525 296 HD1 PHE 38 HD2 PHE 38 3.482 1.591 -2.099 297 HD2 PHE 38 HD1 PHE 38 7.544 1.040 -0.738 298 HE1 PHE 38 HE2 PHE 38 3.448 -0.754 -2.922 299 HE2 PHE 38 HE1 PHE 38 7.472 -1.299 -1.550 300 HZ PHE 38 HZ PHE 38 5.455 -2.185 -2.674 301 H ILE 39 H ILE 39 3.587 4.584 -2.460 302 HA ILE 39 HA ILE 39 3.197 3.108 -4.859 303 HB ILE 39 HB ILE 39 1.735 5.486 -3.637 304 HG12 ILE 39 HG11 ILE 39 0.934 2.538 -3.791 305 HG13 ILE 39 HG12 ILE 39 1.760 3.223 -2.393 306 HG21 ILE 39 HG21 ILE 39 1.300 5.369 -6.100 307 HG22 ILE 39 HG22 ILE 39 0.811 3.662 -5.891 308 HG23 ILE 39 HG23 ILE 39 -0.120 4.985 -5.161 309 HD11 ILE 39 HD11 ILE 39 -0.129 4.867 -2.180 310 HD12 ILE 39 HD12 ILE 39 -0.996 3.923 -3.435 311 HD13 ILE 39 HD13 ILE 39 -0.565 3.183 -1.892 312 H ASN 40 H ASN 40 3.990 6.554 -4.283 313 HA ASN 40 HA ASN 40 4.249 7.251 -7.060 314 HB2 ASN 40 HB1 ASN 40 5.251 8.529 -4.471 315 HB3 ASN 40 HB2 ASN 40 5.562 9.239 -6.040 316 HD21 ASN 40 HD22 ASN 40 3.036 8.885 -7.387 317 HD22 ASN 40 HD21 ASN 40 1.992 10.035 -6.591 318 H ASP 41 H ASP 41 6.171 5.100 -5.416 319 HA ASP 41 HA ASP 41 8.172 4.182 -5.717 320 HB2 ASP 41 HB1 ASP 41 7.671 5.407 -8.333 321 HB3 ASP 41 HB2 ASP 41 9.378 5.425 -7.971 322 H LYS 42 H LYS 42 7.802 7.287 -4.937 323 HA LYS 42 HA LYS 42 10.385 8.477 -4.966 324 HB2 LYS 42 HB1 LYS 42 7.765 9.052 -3.627 325 HB3 LYS 42 HB2 LYS 42 9.223 9.977 -3.223 326 HG2 LYS 42 HG1 LYS 42 9.559 10.553 -5.587 327 HG3 LYS 42 HG2 LYS 42 8.094 9.647 -6.032 328 HD2 LYS 42 HD1 LYS 42 6.679 11.144 -4.797 329 HD3 LYS 42 HD2 LYS 42 8.081 11.832 -3.949 330 HE2 LYS 42 HE1 LYS 42 7.363 13.445 -5.586 331 HE3 LYS 42 HE2 LYS 42 8.946 12.774 -5.987 332 HZ1 LYS 42 HZ1 LYS 42 7.829 11.333 -7.622 333 HZ2 LYS 42 HZ2 LYS 42 7.635 12.931 -7.936 334 HZ3 LYS 42 HZ3 LYS 42 6.389 12.054 -7.296 335 H TYR 43 H TYR 43 8.823 6.353 -2.631 336 HA TYR 43 HA TYR 43 10.299 7.226 -0.390 337 HB2 TYR 43 HB1 TYR 43 8.214 5.727 -0.545 338 HB3 TYR 43 HB2 TYR 43 9.309 4.387 -0.743 339 HD1 TYR 43 HD1 TYR 43 8.931 7.520 1.358 340 HD2 TYR 43 HD2 TYR 43 9.755 3.272 1.407 341 HE1 TYR 43 HE1 TYR 43 8.937 7.567 3.800 342 HE2 TYR 43 HE2 TYR 43 9.727 3.309 3.867 343 HH TYR 43 HH TYR 43 9.672 4.751 5.825 344 H ASN 44 H ASN 44 12.058 6.399 0.748 345 HA ASN 44 HA ASN 44 13.843 4.401 -0.385 346 HB2 ASN 44 HB1 ASN 44 14.679 6.304 -1.629 347 HB3 ASN 44 HB2 ASN 44 14.584 7.349 -0.212 348 HD21 ASN 44 HD22 ASN 44 15.991 4.000 0.138 349 HD22 ASN 44 HD21 ASN 44 17.580 4.636 0.405 350 H GLY 45 H GLY 45 13.557 3.250 1.537 351 HA2 GLY 45 HA1 GLY 45 15.038 3.671 3.775 352 HA3 GLY 45 HA2 GLY 45 13.546 4.563 4.135 353 H ASP 46 H ASP 46 14.984 1.403 3.646 354 HA ASP 46 HA ASP 46 14.224 -0.742 3.863 355 HB2 ASP 46 HB1 ASP 46 12.670 0.619 6.090 356 HB3 ASP 46 HB2 ASP 46 12.882 -1.121 5.946 357 H ASN 47 H ASN 47 13.019 0.380 1.726 358 HA ASN 47 HA ASN 47 10.237 0.565 1.674 359 HB2 ASN 47 HB1 ASN 47 11.896 -0.418 -0.657 360 HB3 ASN 47 HB2 ASN 47 10.291 0.290 -0.692 361 HD21 ASN 47 HD22 ASN 47 10.602 2.158 -1.963 362 HD22 ASN 47 HD21 ASN 47 11.794 3.340 -1.569 363 H GLU 48 H GLU 48 12.200 -2.422 1.617 364 HA GLU 48 HA GLU 48 10.129 -4.075 0.548 365 HB2 GLU 48 HB1 GLU 48 12.600 -4.671 0.766 366 HB3 GLU 48 HB2 GLU 48 12.266 -5.012 2.478 367 HG2 GLU 48 HG1 GLU 48 10.381 -6.552 1.656 368 HG3 GLU 48 HG2 GLU 48 10.982 -6.294 0.019 369 H ARG 49 H ARG 49 10.899 -2.915 3.846 370 HA ARG 49 HA ARG 49 9.035 -4.626 5.205 371 HB2 ARG 49 HB1 ARG 49 10.890 -3.210 6.268 372 HB3 ARG 49 HB2 ARG 49 9.854 -1.796 6.012 373 HG2 ARG 49 HG1 ARG 49 8.058 -2.950 7.378 374 HG3 ARG 49 HG2 ARG 49 9.197 -4.267 7.671 375 HD2 ARG 49 HD1 ARG 49 9.253 -2.844 9.586 376 HD3 ARG 49 HD2 ARG 49 10.770 -2.610 8.719 377 HE ARG 49 HE ARG 49 10.295 -0.426 8.499 378 HH11 ARG 49 HH11 ARG 49 7.206 -2.050 9.266 379 HH12 ARG 49 HH12 ARG 49 6.340 -0.545 9.474 380 HH21 ARG 49 HH21 ARG 49 9.077 1.526 8.699 381 HH22 ARG 49 HH22 ARG 49 7.373 1.488 8.970 382 H VAL 50 H VAL 50 8.752 -1.516 3.521 383 HA VAL 50 HA VAL 50 6.053 -0.988 4.337 384 HB VAL 50 HB VAL 50 7.467 0.037 1.832 385 HG11 VAL 50 HG11 VAL 50 5.028 0.389 1.789 386 HG12 VAL 50 HG12 VAL 50 5.101 1.119 3.406 387 HG13 VAL 50 HG13 VAL 50 5.879 1.919 2.027 388 HG21 VAL 50 HG21 VAL 50 7.903 2.060 3.204 389 HG22 VAL 50 HG22 VAL 50 7.414 1.154 4.653 390 HG23 VAL 50 HG23 VAL 50 8.824 0.643 3.694 391 H SER 51 H SER 51 7.417 -2.504 1.252 392 HA SER 51 HA SER 51 4.897 -3.043 0.152 393 HB2 SER 51 HB1 SER 51 6.098 -4.994 -0.993 394 HB3 SER 51 HB2 SER 51 6.656 -3.361 -1.318 395 HG SER 51 HG SER 51 7.959 -5.458 -0.312 396 H GLN 52 H GLN 52 6.882 -5.208 2.229 397 HA GLN 52 HA GLN 52 5.068 -7.327 2.409 398 HB2 GLN 52 HB1 GLN 52 7.181 -6.217 4.281 399 HB3 GLN 52 HB2 GLN 52 6.254 -7.644 4.720 400 HG2 GLN 52 HG1 GLN 52 7.687 -7.519 2.033 401 HG3 GLN 52 HG2 GLN 52 8.536 -7.964 3.509 402 HE21 GLN 52 HE22 GLN 52 5.917 -9.104 1.205 403 HE22 GLN 52 HE21 GLN 52 5.773 -10.634 2.023 404 H THR 53 H THR 53 5.098 -4.306 4.376 405 HA THR 53 HA THR 53 2.993 -5.196 6.133 406 HB THR 53 HB THR 53 3.887 -2.372 5.380 407 HG1 THR 53 HG1 THR 53 5.578 -3.500 6.284 408 HG21 THR 53 HG21 THR 53 1.725 -2.304 6.512 409 HG22 THR 53 HG22 THR 53 2.975 -1.803 7.651 410 HG23 THR 53 HG23 THR 53 2.296 -3.436 7.753 411 H LEU 54 H LEU 54 3.032 -3.485 2.961 412 HA LEU 54 HA LEU 54 0.240 -2.793 2.996 413 HB2 LEU 54 HB1 LEU 54 2.224 -3.102 0.723 414 HB3 LEU 54 HB2 LEU 54 0.592 -2.477 0.524 415 HG LEU 54 HG LEU 54 2.622 -1.187 2.394 416 HD11 LEU 54 HD11 LEU 54 2.059 -0.543 -0.517 417 HD12 LEU 54 HD12 LEU 54 3.583 -1.119 0.183 418 HD13 LEU 54 HD13 LEU 54 2.979 0.491 0.598 419 HD21 LEU 54 HD21 LEU 54 0.326 -0.545 2.866 420 HD22 LEU 54 HD22 LEU 54 0.089 -0.088 1.171 421 HD23 LEU 54 HD23 LEU 54 1.247 0.798 2.178 422 H GLN 55 H GLN 55 2.090 -5.646 1.901 423 HA GLN 55 HA GLN 55 0.029 -6.975 0.494 424 HB2 GLN 55 HB1 GLN 55 2.147 -8.306 2.263 425 HB3 GLN 55 HB2 GLN 55 1.192 -9.053 1.003 426 HG2 GLN 55 HG1 GLN 55 2.285 -7.083 -0.472 427 HG3 GLN 55 HG2 GLN 55 3.481 -7.158 0.803 428 HE21 GLN 55 HE22 GLN 55 1.723 -9.741 -1.090 429 HE22 GLN 55 HE21 GLN 55 3.197 -10.610 -1.409 430 H ARG 56 H ARG 56 0.888 -7.182 3.967 431 HA ARG 56 HA ARG 56 -1.192 -8.975 4.715 432 HB2 ARG 56 HB1 ARG 56 0.185 -6.749 6.305 433 HB3 ARG 56 HB2 ARG 56 -0.928 -7.941 6.990 434 HG2 ARG 56 HG1 ARG 56 0.578 -9.778 6.226 435 HG3 ARG 56 HG2 ARG 56 1.678 -8.595 5.537 436 HD2 ARG 56 HD1 ARG 56 2.352 -9.511 7.819 437 HD3 ARG 56 HD2 ARG 56 2.343 -7.756 7.640 438 HE ARG 56 HE ARG 56 0.840 -7.577 9.266 439 HH11 ARG 56 HH11 ARG 56 0.374 -10.840 7.938 440 HH12 ARG 56 HH12 ARG 56 -1.149 -11.084 8.719 441 HH21 ARG 56 HH21 ARG 56 -0.947 -8.128 10.660 442 HH22 ARG 56 HH22 ARG 56 -1.703 -9.674 10.516 443 H TRP 57 H TRP 57 -1.198 -5.395 4.538 444 HA TRP 57 HA TRP 57 -3.853 -5.170 5.602 445 HB2 TRP 57 HB1 TRP 57 -2.323 -3.300 5.658 446 HB3 TRP 57 HB2 TRP 57 -2.196 -3.287 3.904 447 HD1 TRP 57 HD1 TRP 57 -4.411 -2.041 6.711 448 HE1 TRP 57 HE1 TRP 57 -6.263 -0.522 5.743 449 HE3 TRP 57 HE3 TRP 57 -3.744 -3.032 1.837 450 HZ2 TRP 57 HZ2 TRP 57 -7.214 0.262 3.113 451 HZ3 TRP 57 HZ3 TRP 57 -5.055 -1.933 0.069 452 HH2 TRP 57 HH2 TRP 57 -6.837 -0.257 0.718 453 H LEU 58 H LEU 58 -2.601 -5.370 2.213 454 HA LEU 58 HA LEU 58 -5.132 -5.122 0.937 455 HB2 LEU 58 HB1 LEU 58 -2.461 -6.262 0.162 456 HB3 LEU 58 HB2 LEU 58 -3.839 -6.537 -0.900 457 HG LEU 58 HG LEU 58 -3.264 -3.781 0.041 458 HD11 LEU 58 HD11 LEU 58 -1.738 -3.391 -1.908 459 HD12 LEU 58 HD12 LEU 58 -1.811 -5.135 -2.266 460 HD13 LEU 58 HD13 LEU 58 -1.070 -4.566 -0.759 461 HD21 LEU 58 HD21 LEU 58 -4.131 -3.077 -2.139 462 HD22 LEU 58 HD22 LEU 58 -5.287 -4.030 -1.206 463 HD23 LEU 58 HD23 LEU 58 -4.384 -4.779 -2.541 464 H GLU 59 H GLU 59 -3.437 -7.975 2.252 465 HA GLU 59 HA GLU 59 -5.192 -9.941 1.160 466 HB2 GLU 59 HB1 GLU 59 -3.301 -9.838 3.534 467 HB3 GLU 59 HB2 GLU 59 -4.308 -11.262 3.238 468 HG2 GLU 59 HG1 GLU 59 -3.351 -11.659 1.099 469 HG3 GLU 59 HG2 GLU 59 -2.589 -10.077 1.023 470 H LYS 60 H LYS 60 -5.378 -7.990 4.194 471 HA LYS 60 HA LYS 60 -7.857 -9.337 4.946 472 HB2 LYS 60 HB1 LYS 60 -8.087 -7.919 6.759 473 HB3 LYS 60 HB2 LYS 60 -6.413 -8.453 6.691 474 HG2 LYS 60 HG1 LYS 60 -5.604 -6.312 6.229 475 HG3 LYS 60 HG2 LYS 60 -7.165 -5.717 5.621 476 HD2 LYS 60 HD1 LYS 60 -8.132 -5.773 7.839 477 HD3 LYS 60 HD2 LYS 60 -6.677 -6.477 8.534 478 HE2 LYS 60 HE1 LYS 60 -6.491 -3.831 7.068 479 HE3 LYS 60 HE2 LYS 60 -7.222 -3.870 8.679 480 HZ1 LYS 60 HZ1 LYS 60 -4.876 -3.441 8.901 481 HZ2 LYS 60 HZ2 LYS 60 -4.473 -4.819 8.098 482 HZ3 LYS 60 HZ3 LYS 60 -5.217 -4.913 9.525 483 H TYR 61 H TYR 61 -7.059 -6.609 2.947 484 HA TYR 61 HA TYR 61 -9.722 -5.461 2.973 485 HB2 TYR 61 HB1 TYR 61 -7.099 -4.646 2.158 486 HB3 TYR 61 HB2 TYR 61 -8.102 -4.596 0.742 487 HD1 TYR 61 HD2 TYR 61 -8.167 -3.623 4.386 488 HD2 TYR 61 HD1 TYR 61 -9.422 -2.740 0.388 489 HE1 TYR 61 HE2 TYR 61 -9.157 -1.494 5.184 490 HE2 TYR 61 HE1 TYR 61 -10.311 -0.553 1.099 491 HH TYR 61 HH TYR 61 -10.848 0.156 4.497 492 H HIS 62 H HIS 62 -7.825 -7.011 0.300 493 HA HIS 62 HA HIS 62 -10.128 -7.206 -1.393 494 HB2 HIS 62 HB1 HIS 62 -7.408 -8.547 -1.447 495 HB3 HIS 62 HB2 HIS 62 -8.630 -8.883 -2.666 496 HD1 HIS 62 HD1 HIS 62 -9.328 -6.867 -4.355 497 HD2 HIS 62 HD2 HIS 62 -6.321 -6.073 -1.509 498 HE1 HIS 62 HE1 HIS 62 -8.250 -4.691 -5.070 499 H ALA 63 H ALA 63 -9.437 -9.378 1.266 500 HA ALA 63 HA ALA 63 -11.166 -11.431 -0.059 501 HB1 ALA 63 HB1 ALA 63 -9.112 -11.835 2.134 502 HB2 ALA 63 HB2 ALA 63 -10.099 -13.087 1.357 503 HB3 ALA 63 HB3 ALA 63 -8.870 -12.218 0.416 Start of MODEL 11 1 H1 GLY -1 H GLY -1 1.206 -15.040 -7.701 2 HA2 GLY -1 HA1 GLY -1 2.095 -16.577 -5.328 3 HA3 GLY -1 HA2 GLY -1 3.168 -16.182 -6.680 4 HA PRO 0 HA PRO 0 3.313 -12.972 -3.214 5 HB2 PRO 0 HB1 PRO 0 6.105 -12.879 -3.118 6 HB3 PRO 0 HB2 PRO 0 5.023 -13.824 -2.058 7 HG2 PRO 0 HG1 PRO 0 6.442 -14.741 -4.566 8 HG3 PRO 0 HG2 PRO 0 6.309 -15.589 -3.001 9 HD2 PRO 0 HD1 PRO 0 4.727 -16.233 -5.083 10 HD3 PRO 0 HD2 PRO 0 4.020 -16.140 -3.438 11 H MET 1 H MET 1 2.688 -11.234 -4.121 12 HA MET 1 HA MET 1 3.407 -10.131 -6.621 13 HB2 MET 1 HB1 MET 1 2.039 -8.953 -4.167 14 HB3 MET 1 HB2 MET 1 2.141 -8.120 -5.710 15 HG2 MET 1 HG1 MET 1 0.830 -9.753 -6.824 16 HG3 MET 1 HG2 MET 1 1.051 -10.923 -5.548 17 HE1 MET 1 HE1 MET 1 -0.205 -7.167 -5.638 18 HE2 MET 1 HE2 MET 1 -1.149 -8.029 -6.883 19 HE3 MET 1 HE3 MET 1 -1.955 -7.447 -5.421 20 H ASN 2 H ASN 2 4.908 -8.720 -7.246 21 HA ASN 2 HA ASN 2 7.064 -8.058 -5.409 22 HB2 ASN 2 HB1 ASN 2 8.240 -7.277 -7.302 23 HB3 ASN 2 HB2 ASN 2 7.418 -8.733 -7.827 24 HD21 ASN 2 HD22 ASN 2 8.401 -7.061 -9.791 25 HD22 ASN 2 HD21 ASN 2 7.017 -6.300 -10.574 26 H ILE 3 H ILE 3 7.908 -5.752 -5.409 27 HA ILE 3 HA ILE 3 6.160 -4.021 -4.147 28 HB ILE 3 HB ILE 3 8.855 -3.831 -5.444 29 HG12 ILE 3 HG11 ILE 3 7.809 -3.109 -2.681 30 HG13 ILE 3 HG12 ILE 3 8.327 -4.727 -3.140 31 HG21 ILE 3 HG21 ILE 3 7.985 -1.658 -6.158 32 HG22 ILE 3 HG22 ILE 3 7.442 -1.301 -4.508 33 HG23 ILE 3 HG23 ILE 3 9.167 -1.457 -4.887 34 HD11 ILE 3 HD11 ILE 3 10.082 -3.621 -1.907 35 HD12 ILE 3 HD12 ILE 3 10.611 -3.876 -3.585 36 HD13 ILE 3 HD13 ILE 3 10.091 -2.261 -3.038 37 H SER 4 H SER 4 6.808 -4.125 -7.667 38 HA SER 4 HA SER 4 5.371 -1.761 -8.259 39 HB2 SER 4 HB1 SER 4 5.850 -4.133 -10.082 40 HB3 SER 4 HB2 SER 4 5.599 -2.433 -10.536 41 HG SER 4 HG SER 4 7.630 -2.041 -10.205 42 H ASP 5 H ASP 5 4.252 -5.218 -8.129 43 HA ASP 5 HA ASP 5 1.590 -4.571 -9.079 44 HB2 ASP 5 HB1 ASP 5 2.749 -6.808 -9.243 45 HB3 ASP 5 HB2 ASP 5 2.552 -6.987 -7.518 46 H ILE 6 H ILE 6 3.166 -4.988 -5.917 47 HA ILE 6 HA ILE 6 0.955 -4.917 -4.202 48 HB ILE 6 HB ILE 6 3.803 -3.940 -3.913 49 HG12 ILE 6 HG11 ILE 6 2.251 -6.258 -2.666 50 HG13 ILE 6 HG12 ILE 6 3.232 -6.411 -4.103 51 HG21 ILE 6 HG21 ILE 6 2.305 -2.616 -2.296 52 HG22 ILE 6 HG22 ILE 6 1.942 -4.163 -1.525 53 HG23 ILE 6 HG23 ILE 6 3.597 -3.548 -1.579 54 HD11 ILE 6 HD11 ILE 6 5.253 -5.703 -2.799 55 HD12 ILE 6 HD12 ILE 6 4.243 -5.704 -1.325 56 HD13 ILE 6 HD13 ILE 6 4.512 -7.201 -2.211 57 H ARG 7 H ARG 7 2.817 -2.039 -5.408 58 HA ARG 7 HA ARG 7 0.840 -0.208 -4.363 59 HB2 ARG 7 HB1 ARG 7 1.947 1.527 -5.669 60 HB3 ARG 7 HB2 ARG 7 3.132 0.565 -4.783 61 HG2 ARG 7 HG1 ARG 7 3.573 -0.723 -6.883 62 HG3 ARG 7 HG2 ARG 7 2.446 0.345 -7.731 63 HD2 ARG 7 HD1 ARG 7 3.988 2.262 -7.012 64 HD3 ARG 7 HD2 ARG 7 5.152 1.016 -6.532 65 HE ARG 7 HE ARG 7 3.897 1.157 -9.238 66 HH11 ARG 7 HH11 ARG 7 7.038 0.945 -7.449 67 HH12 ARG 7 HH12 ARG 7 7.872 0.406 -8.817 68 HH21 ARG 7 HH21 ARG 7 5.082 0.605 -11.016 69 HH22 ARG 7 HH22 ARG 7 6.739 0.131 -10.897 70 H ALA 8 H ALA 8 0.940 -2.032 -7.399 71 HA ALA 8 HA ALA 8 -0.780 -0.399 -8.917 72 HB1 ALA 8 HB1 ALA 8 -1.119 -2.281 -10.354 73 HB2 ALA 8 HB2 ALA 8 0.575 -2.288 -9.839 74 HB3 ALA 8 HB3 ALA 8 -0.592 -3.422 -9.118 75 H GLY 9 H GLY 9 -1.529 -2.744 -6.311 76 HA2 GLY 9 HA1 GLY 9 -4.373 -2.799 -6.942 77 HA3 GLY 9 HA2 GLY 9 -3.617 -3.365 -5.452 78 H LEU 10 H LEU 10 -2.292 -1.048 -4.606 79 HA LEU 10 HA LEU 10 -4.321 0.314 -3.240 80 HB2 LEU 10 HB1 LEU 10 -1.548 1.388 -3.870 81 HB3 LEU 10 HB2 LEU 10 -2.626 2.055 -2.659 82 HG LEU 10 HG LEU 10 -1.602 -0.783 -2.566 83 HD11 LEU 10 HD11 LEU 10 0.271 0.823 -2.340 84 HD12 LEU 10 HD12 LEU 10 -0.078 -0.045 -0.838 85 HD13 LEU 10 HD13 LEU 10 -0.606 1.643 -1.018 86 HD21 LEU 10 HD21 LEU 10 -3.691 -0.371 -1.288 87 HD22 LEU 10 HD22 LEU 10 -2.915 0.949 -0.415 88 HD23 LEU 10 HD23 LEU 10 -2.336 -0.723 -0.208 89 H ARG 11 H ARG 11 -2.629 1.313 -6.223 90 HA ARG 11 HA ARG 11 -3.767 3.911 -6.298 91 HB2 ARG 11 HB1 ARG 11 -3.308 3.970 -8.687 92 HB3 ARG 11 HB2 ARG 11 -1.925 3.439 -7.716 93 HG2 ARG 11 HG1 ARG 11 -2.282 1.155 -8.315 94 HG3 ARG 11 HG2 ARG 11 -3.746 1.537 -9.231 95 HD2 ARG 11 HD1 ARG 11 -0.884 2.332 -9.894 96 HD3 ARG 11 HD2 ARG 11 -1.845 1.105 -10.719 97 HE ARG 11 HE ARG 11 -1.817 3.912 -11.222 98 HH11 ARG 11 HH11 ARG 11 -4.046 1.132 -11.414 99 HH12 ARG 11 HH12 ARG 11 -5.136 1.939 -12.474 100 HH21 ARG 11 HH21 ARG 11 -3.184 4.936 -12.571 101 HH22 ARG 11 HH22 ARG 11 -4.669 4.192 -13.134 102 H THR 12 H THR 12 -5.130 0.799 -7.545 103 HA THR 12 HA THR 12 -7.433 1.866 -8.690 104 HB THR 12 HB THR 12 -7.164 -0.772 -7.171 105 HG1 THR 12 HG1 THR 12 -6.183 -1.573 -8.902 106 HG21 THR 12 HG21 THR 12 -8.920 0.079 -9.500 107 HG22 THR 12 HG22 THR 12 -9.441 -0.427 -7.887 108 HG23 THR 12 HG23 THR 12 -8.688 -1.603 -8.973 109 H LEU 13 H LEU 13 -6.899 0.752 -5.327 110 HA LEU 13 HA LEU 13 -9.483 1.231 -4.333 111 HB2 LEU 13 HB1 LEU 13 -6.740 0.934 -3.188 112 HB3 LEU 13 HB2 LEU 13 -7.960 1.627 -2.137 113 HG LEU 13 HG LEU 13 -7.633 -0.726 -1.740 114 HD11 LEU 13 HD11 LEU 13 -10.374 -0.337 -2.972 115 HD12 LEU 13 HD12 LEU 13 -9.884 0.236 -1.345 116 HD13 LEU 13 HD13 LEU 13 -9.901 -1.492 -1.736 117 HD21 LEU 13 HD21 LEU 13 -6.972 -1.527 -3.928 118 HD22 LEU 13 HD22 LEU 13 -8.615 -1.225 -4.574 119 HD23 LEU 13 HD23 LEU 13 -8.354 -2.450 -3.314 120 H VAL 14 H VAL 14 -6.667 3.534 -4.407 121 HA VAL 14 HA VAL 14 -8.356 5.598 -3.140 122 HB VAL 14 HB VAL 14 -6.508 7.121 -3.403 123 HG11 VAL 14 HG11 VAL 14 -5.479 4.460 -2.374 124 HG12 VAL 14 HG12 VAL 14 -5.026 6.082 -1.834 125 HG13 VAL 14 HG13 VAL 14 -6.651 5.472 -1.495 126 HG21 VAL 14 HG21 VAL 14 -5.501 6.376 -5.534 127 HG22 VAL 14 HG22 VAL 14 -4.309 6.413 -4.223 128 HG23 VAL 14 HG23 VAL 14 -4.983 4.872 -4.761 129 H GLU 15 H GLU 15 -7.479 4.789 -6.512 130 HA GLU 15 HA GLU 15 -8.331 7.224 -7.734 131 HB2 GLU 15 HB1 GLU 15 -8.084 4.334 -8.650 132 HB3 GLU 15 HB2 GLU 15 -8.654 5.584 -9.723 133 HG2 GLU 15 HG1 GLU 15 -6.006 5.949 -8.303 134 HG3 GLU 15 HG2 GLU 15 -6.124 4.942 -9.743 135 H ASN 16 H ASN 16 -10.114 4.506 -6.467 136 HA ASN 16 HA ASN 16 -12.614 5.557 -7.709 137 HB2 ASN 16 HB1 ASN 16 -12.016 2.741 -6.836 138 HB3 ASN 16 HB2 ASN 16 -13.552 3.332 -7.470 139 HD21 ASN 16 HD22 ASN 16 -10.321 2.322 -8.241 140 HD22 ASN 16 HD21 ASN 16 -10.405 2.488 -9.985 141 H GLU 17 H GLU 17 -11.071 6.217 -5.016 142 HA GLU 17 HA GLU 17 -11.590 6.940 -2.937 143 HB2 GLU 17 HB1 GLU 17 -14.380 7.204 -4.090 144 HB3 GLU 17 HB2 GLU 17 -13.822 7.988 -2.631 145 HG2 GLU 17 HG1 GLU 17 -12.351 8.542 -5.227 146 HG3 GLU 17 HG2 GLU 17 -13.925 9.262 -4.929 147 H GLU 18 H GLU 18 -11.902 4.032 -3.537 148 HA GLU 18 HA GLU 18 -14.029 2.806 -2.133 149 HB2 GLU 18 HB1 GLU 18 -11.205 1.786 -2.481 150 HB3 GLU 18 HB2 GLU 18 -12.664 0.806 -2.335 151 HG2 GLU 18 HG1 GLU 18 -12.035 2.650 -4.691 152 HG3 GLU 18 HG2 GLU 18 -11.606 0.968 -4.624 153 H THR 19 H THR 19 -11.161 4.337 -1.001 154 HA THR 19 HA THR 19 -11.720 3.935 1.788 155 HB THR 19 HB THR 19 -10.534 1.825 0.996 156 HG1 THR 19 HG1 THR 19 -9.426 1.629 2.733 157 HG21 THR 19 HG21 THR 19 -8.195 1.801 0.484 158 HG22 THR 19 HG22 THR 19 -8.051 3.555 0.719 159 HG23 THR 19 HG23 THR 19 -8.990 2.919 -0.644 160 H THR 20 H THR 20 -9.157 4.991 2.664 161 HA THR 20 HA THR 20 -8.599 7.257 0.898 162 HB THR 20 HB THR 20 -9.428 7.745 3.777 163 HG1 THR 20 HG1 THR 20 -10.938 7.543 1.453 164 HG21 THR 20 HG21 THR 20 -7.974 9.459 2.804 165 HG22 THR 20 HG22 THR 20 -9.602 10.099 2.997 166 HG23 THR 20 HG23 THR 20 -9.039 9.581 1.382 167 H PHE 21 H PHE 21 -6.442 8.167 1.386 168 HA PHE 21 HA PHE 21 -4.529 6.340 2.239 169 HB2 PHE 21 HB1 PHE 21 -4.474 9.354 2.082 170 HB3 PHE 21 HB2 PHE 21 -3.127 8.494 2.778 171 HD1 PHE 21 HD2 PHE 21 -1.714 6.949 1.484 172 HD2 PHE 21 HD1 PHE 21 -4.850 9.250 -0.378 173 HE1 PHE 21 HE2 PHE 21 -0.638 6.658 -0.746 174 HE2 PHE 21 HE1 PHE 21 -3.808 8.888 -2.589 175 HZ PHE 21 HZ PHE 21 -1.701 7.597 -2.771 176 H LYS 22 H LYS 22 -6.341 8.574 4.307 177 HA LYS 22 HA LYS 22 -4.698 8.210 6.628 178 HB2 LYS 22 HB1 LYS 22 -6.377 9.115 7.904 179 HB3 LYS 22 HB2 LYS 22 -6.205 10.061 6.422 180 HG2 LYS 22 HG1 LYS 22 -8.159 8.982 5.482 181 HG3 LYS 22 HG2 LYS 22 -8.348 8.015 6.951 182 HD2 LYS 22 HD1 LYS 22 -8.608 11.026 6.787 183 HD3 LYS 22 HD2 LYS 22 -9.912 9.859 6.999 184 HE2 LYS 22 HE1 LYS 22 -7.649 10.464 8.955 185 HE3 LYS 22 HE2 LYS 22 -9.359 10.887 9.148 186 HZ1 LYS 22 HZ1 LYS 22 -9.699 8.349 9.065 187 HZ2 LYS 22 HZ2 LYS 22 -9.067 9.010 10.423 188 HZ3 LYS 22 HZ3 LYS 22 -8.064 8.267 9.400 189 H GLN 23 H GLN 23 -7.579 6.535 5.558 190 HA GLN 23 HA GLN 23 -7.628 4.748 7.794 191 HB2 GLN 23 HB1 GLN 23 -9.578 5.203 6.176 192 HB3 GLN 23 HB2 GLN 23 -8.796 4.072 5.065 193 HG2 GLN 23 HG1 GLN 23 -10.467 2.889 6.393 194 HG3 GLN 23 HG2 GLN 23 -8.875 2.304 6.846 195 HE21 GLN 23 HE22 GLN 23 -9.233 1.722 9.151 196 HE22 GLN 23 HE21 GLN 23 -9.820 2.876 10.281 197 H ILE 24 H ILE 24 -6.175 4.440 4.484 198 HA ILE 24 HA ILE 24 -5.254 1.785 4.810 199 HB ILE 24 HB ILE 24 -3.774 4.022 3.369 200 HG12 ILE 24 HG11 ILE 24 -5.740 2.082 2.083 201 HG13 ILE 24 HG12 ILE 24 -6.198 3.694 2.587 202 HG21 ILE 24 HG21 ILE 24 -2.460 1.909 3.772 203 HG22 ILE 24 HG22 ILE 24 -3.724 0.992 2.940 204 HG23 ILE 24 HG23 ILE 24 -2.751 2.185 2.058 205 HD11 ILE 24 HD11 ILE 24 -5.678 3.832 0.275 206 HD12 ILE 24 HD12 ILE 24 -4.343 4.624 1.117 207 HD13 ILE 24 HD13 ILE 24 -4.127 2.993 0.493 208 H ALA 25 H ALA 25 -3.695 4.913 5.722 209 HA ALA 25 HA ALA 25 -1.320 3.849 6.825 210 HB1 ALA 25 HB1 ALA 25 -1.227 6.124 7.903 211 HB2 ALA 25 HB2 ALA 25 -1.692 6.224 6.209 212 HB3 ALA 25 HB3 ALA 25 -2.908 6.389 7.484 213 H LEU 26 H LEU 26 -4.361 4.734 8.458 214 HA LEU 26 HA LEU 26 -3.616 3.997 11.076 215 HB2 LEU 26 HB1 LEU 26 -5.541 5.398 10.453 216 HB3 LEU 26 HB2 LEU 26 -6.343 4.013 9.716 217 HG LEU 26 HG LEU 26 -6.578 2.933 11.921 218 HD11 LEU 26 HD11 LEU 26 -4.620 3.780 13.131 219 HD12 LEU 26 HD12 LEU 26 -6.087 4.302 13.976 220 HD13 LEU 26 HD13 LEU 26 -5.211 5.449 12.971 221 HD21 LEU 26 HD21 LEU 26 -8.221 4.500 12.850 222 HD22 LEU 26 HD22 LEU 26 -8.320 4.494 11.085 223 HD23 LEU 26 HD23 LEU 26 -7.517 5.838 11.919 224 H GLU 27 H GLU 27 -5.158 2.032 8.542 225 HA GLU 27 HA GLU 27 -5.542 -0.320 10.187 226 HB2 GLU 27 HB1 GLU 27 -5.607 0.307 7.212 227 HB3 GLU 27 HB2 GLU 27 -5.930 -1.289 7.829 228 HG2 GLU 27 HG1 GLU 27 -7.532 1.186 8.510 229 HG3 GLU 27 HG2 GLU 27 -8.001 -0.062 7.359 230 H SER 28 H SER 28 -3.096 0.658 7.716 231 HA SER 28 HA SER 28 -1.720 -1.887 7.818 232 HB2 SER 28 HB1 SER 28 -0.035 -0.758 6.425 233 HB3 SER 28 HB2 SER 28 -1.677 -0.451 5.820 234 HG SER 28 HG SER 28 -1.655 1.533 6.562 235 H GLY 29 H GLY 29 -1.303 1.268 9.409 236 HA2 GLY 29 HA1 GLY 29 -0.364 1.600 11.525 237 HA3 GLY 29 HA2 GLY 29 0.580 0.109 11.384 238 H LEU 30 H LEU 30 0.404 2.192 8.602 239 HA LEU 30 HA LEU 30 3.252 3.059 8.902 240 HB2 LEU 30 HB1 LEU 30 1.452 2.941 6.446 241 HB3 LEU 30 HB2 LEU 30 3.154 3.344 6.439 242 HG LEU 30 HG LEU 30 2.098 0.594 7.240 243 HD11 LEU 30 HD11 LEU 30 1.469 0.991 4.954 244 HD12 LEU 30 HD12 LEU 30 2.878 -0.080 4.950 245 HD13 LEU 30 HD13 LEU 30 3.066 1.649 4.559 246 HD21 LEU 30 HD21 LEU 30 4.467 -0.089 6.779 247 HD22 LEU 30 HD22 LEU 30 4.328 1.048 8.117 248 HD23 LEU 30 HD23 LEU 30 4.891 1.621 6.531 249 H SER 31 H SER 31 3.593 5.333 7.865 250 HA SER 31 HA SER 31 1.391 7.088 8.756 251 HB2 SER 31 HB1 SER 31 3.154 8.886 8.185 252 HB3 SER 31 HB2 SER 31 3.326 7.871 9.618 253 HG SER 31 HG SER 31 5.272 7.897 8.711 254 H THR 32 H THR 32 0.522 8.751 7.377 255 HA THR 32 HA THR 32 -0.362 7.756 4.892 256 HB THR 32 HB THR 32 -1.373 9.971 4.580 257 HG1 THR 32 HG1 THR 32 0.042 10.717 6.934 258 HG21 THR 32 HG21 THR 32 -2.533 8.460 6.091 259 HG22 THR 32 HG22 THR 32 -2.664 10.102 6.740 260 HG23 THR 32 HG23 THR 32 -1.536 8.963 7.468 261 H GLY 33 H GLY 33 2.464 9.741 5.631 262 HA2 GLY 33 HA1 GLY 33 3.017 10.597 2.929 263 HA3 GLY 33 HA2 GLY 33 4.124 10.623 4.308 264 H THR 34 H THR 34 4.118 7.818 4.979 265 HA THR 34 HA THR 34 6.080 6.839 3.249 266 HB THR 34 HB THR 34 4.223 5.388 5.191 267 HG1 THR 34 HG1 THR 34 5.812 5.739 6.604 268 HG21 THR 34 HG21 THR 34 5.180 3.726 3.747 269 HG22 THR 34 HG22 THR 34 6.111 3.703 5.256 270 HG23 THR 34 HG23 THR 34 6.772 4.496 3.799 271 H ILE 35 H ILE 35 2.610 5.895 3.447 272 HA ILE 35 HA ILE 35 2.644 4.036 1.351 273 HB ILE 35 HB ILE 35 0.412 5.890 2.224 274 HG12 ILE 35 HG11 ILE 35 0.940 3.026 3.161 275 HG13 ILE 35 HG12 ILE 35 1.540 4.404 4.060 276 HG21 ILE 35 HG21 ILE 35 -0.019 4.654 0.037 277 HG22 ILE 35 HG22 ILE 35 0.217 3.130 0.894 278 HG23 ILE 35 HG23 ILE 35 -1.143 4.195 1.305 279 HD11 ILE 35 HD11 ILE 35 -1.400 4.021 3.464 280 HD12 ILE 35 HD12 ILE 35 -0.560 3.524 4.934 281 HD13 ILE 35 HD13 ILE 35 -0.637 5.252 4.485 282 H SER 36 H SER 36 1.942 7.589 1.185 283 HA SER 36 HA SER 36 1.465 7.622 -1.606 284 HB2 SER 36 HB1 SER 36 1.008 9.464 0.080 285 HB3 SER 36 HB2 SER 36 2.734 9.835 0.097 286 HG SER 36 HG SER 36 1.716 11.212 -1.348 287 H SER 37 H SER 37 4.599 8.027 0.205 288 HA SER 37 HA SER 37 6.021 8.530 -2.239 289 HB2 SER 37 HB1 SER 37 6.684 9.040 0.209 290 HB3 SER 37 HB2 SER 37 7.348 7.404 0.216 291 HG SER 37 HG SER 37 8.875 9.040 -0.425 292 H PHE 38 H PHE 38 5.021 5.537 -0.620 293 HA PHE 38 HA PHE 38 6.764 3.793 -2.117 294 HB2 PHE 38 HB1 PHE 38 5.766 3.108 0.024 295 HB3 PHE 38 HB2 PHE 38 4.150 3.239 -0.649 296 HD1 PHE 38 HD1 PHE 38 7.405 1.390 -1.038 297 HD2 PHE 38 HD2 PHE 38 3.174 1.449 -1.907 298 HE1 PHE 38 HE1 PHE 38 7.581 -0.850 -2.010 299 HE2 PHE 38 HE2 PHE 38 3.361 -0.804 -2.889 300 HZ PHE 38 HZ PHE 38 5.577 -1.964 -2.971 301 H ILE 39 H ILE 39 3.285 4.795 -2.484 302 HA ILE 39 HA ILE 39 2.871 3.289 -4.864 303 HB ILE 39 HB ILE 39 1.453 5.797 -3.893 304 HG12 ILE 39 HG11 ILE 39 0.692 2.857 -3.640 305 HG13 ILE 39 HG12 ILE 39 1.320 3.828 -2.336 306 HG21 ILE 39 HG21 ILE 39 1.063 5.439 -6.328 307 HG22 ILE 39 HG22 ILE 39 0.575 3.757 -6.012 308 HG23 ILE 39 HG23 ILE 39 -0.396 5.129 -5.428 309 HD11 ILE 39 HD11 ILE 39 -1.374 4.103 -3.686 310 HD12 ILE 39 HD12 ILE 39 -1.010 3.770 -1.990 311 HD13 ILE 39 HD13 ILE 39 -0.680 5.379 -2.661 312 H ASN 40 H ASN 40 4.023 6.631 -4.334 313 HA ASN 40 HA ASN 40 4.265 7.250 -7.153 314 HB2 ASN 40 HB1 ASN 40 5.592 8.502 -4.706 315 HB3 ASN 40 HB2 ASN 40 5.642 9.161 -6.345 316 HD21 ASN 40 HD22 ASN 40 4.744 11.081 -4.908 317 HD22 ASN 40 HD21 ASN 40 3.018 11.118 -4.725 318 H ASP 41 H ASP 41 5.961 5.027 -5.299 319 HA ASP 41 HA ASP 41 7.841 3.923 -5.354 320 HB2 ASP 41 HB1 ASP 41 6.928 3.670 -7.726 321 HB3 ASP 41 HB2 ASP 41 8.212 4.779 -8.227 322 H LYS 42 H LYS 42 7.940 6.809 -4.726 323 HA LYS 42 HA LYS 42 10.655 7.742 -5.404 324 HB2 LYS 42 HB1 LYS 42 8.302 8.777 -3.772 325 HB3 LYS 42 HB2 LYS 42 9.853 9.609 -3.747 326 HG2 LYS 42 HG1 LYS 42 8.428 9.000 -6.350 327 HG3 LYS 42 HG2 LYS 42 7.988 10.403 -5.401 328 HD2 LYS 42 HD1 LYS 42 10.804 9.829 -6.440 329 HD3 LYS 42 HD2 LYS 42 9.625 10.856 -7.242 330 HE2 LYS 42 HE1 LYS 42 10.859 11.356 -4.501 331 HE3 LYS 42 HE2 LYS 42 11.243 12.202 -6.002 332 HZ1 LYS 42 HZ1 LYS 42 8.650 12.276 -4.586 333 HZ2 LYS 42 HZ2 LYS 42 8.943 12.989 -6.057 334 HZ3 LYS 42 HZ3 LYS 42 9.715 13.512 -4.725 335 H TYR 43 H TYR 43 9.036 6.129 -2.717 336 HA TYR 43 HA TYR 43 10.843 6.875 -0.637 337 HB2 TYR 43 HB1 TYR 43 8.574 5.671 -0.507 338 HB3 TYR 43 HB2 TYR 43 9.415 4.205 -0.946 339 HD1 TYR 43 HD2 TYR 43 11.171 3.253 0.652 340 HD2 TYR 43 HD1 TYR 43 8.557 6.516 1.726 341 HE1 TYR 43 HE2 TYR 43 11.331 2.606 3.015 342 HE2 TYR 43 HE1 TYR 43 8.767 5.894 4.115 343 HH TYR 43 HH TYR 43 10.883 3.517 5.411 344 H ASN 44 H ASN 44 12.879 5.975 -0.017 345 HA ASN 44 HA ASN 44 13.937 3.671 -1.555 346 HB2 ASN 44 HB1 ASN 44 14.594 5.610 -2.869 347 HB3 ASN 44 HB2 ASN 44 15.201 6.433 -1.424 348 HD21 ASN 44 HD22 ASN 44 16.909 6.181 -3.577 349 HD22 ASN 44 HD21 ASN 44 18.219 5.136 -3.070 350 H GLY 45 H GLY 45 14.305 2.310 0.119 351 HA2 GLY 45 HA1 GLY 45 15.998 1.661 1.736 352 HA3 GLY 45 HA2 GLY 45 15.968 3.285 2.412 353 H ASP 46 H ASP 46 14.403 0.239 2.230 354 HA ASP 46 HA ASP 46 13.370 -0.875 3.985 355 HB2 ASP 46 HB1 ASP 46 11.998 1.682 4.887 356 HB3 ASP 46 HB2 ASP 46 11.774 0.082 5.550 357 H ASN 47 H ASN 47 12.681 0.071 1.173 358 HA ASN 47 HA ASN 47 9.915 0.274 0.779 359 HB2 ASN 47 HB1 ASN 47 11.939 -1.123 -1.018 360 HB3 ASN 47 HB2 ASN 47 10.329 -0.575 -1.483 361 HD21 ASN 47 HD22 ASN 47 10.573 1.262 -2.900 362 HD22 ASN 47 HD21 ASN 47 11.616 2.571 -2.450 363 H GLU 48 H GLU 48 11.886 -2.643 1.438 364 HA GLU 48 HA GLU 48 9.832 -4.539 0.727 365 HB2 GLU 48 HB1 GLU 48 12.283 -5.062 0.969 366 HB3 GLU 48 HB2 GLU 48 12.068 -4.933 2.716 367 HG2 GLU 48 HG1 GLU 48 10.253 -6.704 2.557 368 HG3 GLU 48 HG2 GLU 48 10.694 -6.909 0.857 369 H ARG 49 H ARG 49 10.842 -2.973 3.804 370 HA ARG 49 HA ARG 49 9.085 -4.339 5.553 371 HB2 ARG 49 HB1 ARG 49 11.012 -2.792 6.167 372 HB3 ARG 49 HB2 ARG 49 9.970 -1.414 5.774 373 HG2 ARG 49 HG1 ARG 49 8.342 -2.170 7.519 374 HG3 ARG 49 HG2 ARG 49 9.411 -3.539 7.850 375 HD2 ARG 49 HD1 ARG 49 11.211 -1.562 8.177 376 HD3 ARG 49 HD2 ARG 49 9.756 -0.628 8.533 377 HE ARG 49 HE ARG 49 9.195 -2.281 10.281 378 HH11 ARG 49 HH11 ARG 49 12.653 -1.936 9.440 379 HH12 ARG 49 HH12 ARG 49 13.164 -3.024 10.665 380 HH21 ARG 49 HH21 ARG 49 9.899 -3.760 11.860 381 HH22 ARG 49 HH22 ARG 49 11.584 -4.069 12.077 382 H VAL 50 H VAL 50 8.650 -1.249 3.804 383 HA VAL 50 HA VAL 50 5.981 -0.799 4.673 384 HB VAL 50 HB VAL 50 7.558 0.187 2.265 385 HG11 VAL 50 HG11 VAL 50 5.878 2.071 2.241 386 HG12 VAL 50 HG12 VAL 50 5.199 0.520 1.768 387 HG13 VAL 50 HG13 VAL 50 4.898 1.152 3.403 388 HG21 VAL 50 HG21 VAL 50 7.814 2.234 3.688 389 HG22 VAL 50 HG22 VAL 50 6.988 1.391 5.019 390 HG23 VAL 50 HG23 VAL 50 8.561 0.824 4.422 391 H SER 51 H SER 51 7.186 -2.230 1.539 392 HA SER 51 HA SER 51 4.622 -2.763 0.540 393 HB2 SER 51 HB1 SER 51 5.774 -4.362 -0.968 394 HB3 SER 51 HB2 SER 51 6.492 -2.763 -0.890 395 HG SER 51 HG SER 51 8.139 -3.483 0.230 396 H GLN 52 H GLN 52 6.645 -4.930 2.629 397 HA GLN 52 HA GLN 52 4.785 -7.108 2.542 398 HB2 GLN 52 HB1 GLN 52 6.899 -6.244 4.577 399 HB3 GLN 52 HB2 GLN 52 5.925 -7.699 4.792 400 HG2 GLN 52 HG1 GLN 52 7.731 -7.172 2.390 401 HG3 GLN 52 HG2 GLN 52 8.102 -8.222 3.762 402 HE21 GLN 52 HE22 GLN 52 6.606 -8.108 0.654 403 HE22 GLN 52 HE21 GLN 52 5.732 -9.634 0.777 404 H THR 53 H THR 53 4.799 -4.163 4.330 405 HA THR 53 HA THR 53 2.800 -5.033 6.286 406 HB THR 53 HB THR 53 3.671 -2.194 5.579 407 HG1 THR 53 HG1 THR 53 5.433 -3.374 6.296 408 HG21 THR 53 HG21 THR 53 2.909 -1.677 7.887 409 HG22 THR 53 HG22 THR 53 2.316 -3.338 8.067 410 HG23 THR 53 HG23 THR 53 1.572 -2.252 6.883 411 H LEU 54 H LEU 54 2.854 -3.266 3.172 412 HA LEU 54 HA LEU 54 0.024 -2.698 3.137 413 HB2 LEU 54 HB1 LEU 54 2.168 -2.742 0.975 414 HB3 LEU 54 HB2 LEU 54 0.510 -2.214 0.716 415 HG LEU 54 HG LEU 54 2.262 -0.915 2.823 416 HD11 LEU 54 HD11 LEU 54 1.956 -0.124 -0.089 417 HD12 LEU 54 HD12 LEU 54 3.423 -0.662 0.721 418 HD13 LEU 54 HD13 LEU 54 2.694 0.885 1.179 419 HD21 LEU 54 HD21 LEU 54 -0.103 -0.491 3.142 420 HD22 LEU 54 HD22 LEU 54 -0.314 -0.073 1.435 421 HD23 LEU 54 HD23 LEU 54 0.652 0.965 2.498 422 H GLN 55 H GLN 55 2.048 -5.392 2.100 423 HA GLN 55 HA GLN 55 0.227 -6.758 0.417 424 HB2 GLN 55 HB1 GLN 55 2.540 -7.596 2.185 425 HB3 GLN 55 HB2 GLN 55 1.546 -8.829 1.413 426 HG2 GLN 55 HG1 GLN 55 2.521 -6.566 -0.280 427 HG3 GLN 55 HG2 GLN 55 3.685 -7.790 0.227 428 HE21 GLN 55 HE22 GLN 55 3.762 -9.431 -1.604 429 HE22 GLN 55 HE21 GLN 55 2.235 -10.059 -2.248 430 H ARG 56 H ARG 56 0.852 -7.264 3.905 431 HA ARG 56 HA ARG 56 -1.279 -9.063 4.306 432 HB2 ARG 56 HB1 ARG 56 -0.028 -7.074 6.263 433 HB3 ARG 56 HB2 ARG 56 -1.109 -8.415 6.681 434 HG2 ARG 56 HG1 ARG 56 0.507 -9.945 5.441 435 HG3 ARG 56 HG2 ARG 56 1.649 -8.617 5.384 436 HD2 ARG 56 HD1 ARG 56 2.172 -10.140 7.232 437 HD3 ARG 56 HD2 ARG 56 1.749 -8.534 7.833 438 HE ARG 56 HE ARG 56 -0.094 -9.353 8.863 439 HH11 ARG 56 HH11 ARG 56 0.917 -11.775 6.456 440 HH12 ARG 56 HH12 ARG 56 -0.436 -12.823 6.771 441 HH21 ARG 56 HH21 ARG 56 -1.606 -10.933 9.531 442 HH22 ARG 56 HH22 ARG 56 -1.785 -12.433 8.672 443 H TRP 57 H TRP 57 -1.303 -5.516 4.584 444 HA TRP 57 HA TRP 57 -3.957 -5.205 5.435 445 HB2 TRP 57 HB1 TRP 57 -2.312 -3.400 5.457 446 HB3 TRP 57 HB2 TRP 57 -2.191 -3.428 3.704 447 HD1 TRP 57 HD1 TRP 57 -4.565 -2.398 6.490 448 HE1 TRP 57 HE1 TRP 57 -6.398 -0.872 5.564 449 HE3 TRP 57 HE3 TRP 57 -3.511 -2.813 1.506 450 HZ2 TRP 57 HZ2 TRP 57 -7.262 0.112 2.973 451 HZ3 TRP 57 HZ3 TRP 57 -4.962 -1.712 -0.164 452 HH2 TRP 57 HH2 TRP 57 -6.839 -0.264 0.552 453 H LEU 58 H LEU 58 -2.713 -5.301 1.980 454 HA LEU 58 HA LEU 58 -5.273 -5.005 0.910 455 HB2 LEU 58 HB1 LEU 58 -2.694 -4.711 0.063 456 HB3 LEU 58 HB2 LEU 58 -3.062 -6.257 -0.706 457 HG LEU 58 HG LEU 58 -5.064 -4.045 -0.819 458 HD11 LEU 58 HD11 LEU 58 -2.619 -3.954 -2.589 459 HD12 LEU 58 HD12 LEU 58 -3.032 -2.809 -1.296 460 HD13 LEU 58 HD13 LEU 58 -4.075 -2.938 -2.730 461 HD21 LEU 58 HD21 LEU 58 -5.590 -4.933 -2.998 462 HD22 LEU 58 HD22 LEU 58 -5.309 -6.344 -1.955 463 HD23 LEU 58 HD23 LEU 58 -4.052 -5.831 -3.082 464 H GLU 59 H GLU 59 -3.291 -7.831 1.705 465 HA GLU 59 HA GLU 59 -4.751 -9.808 0.326 466 HB2 GLU 59 HB1 GLU 59 -3.212 -9.903 2.943 467 HB3 GLU 59 HB2 GLU 59 -3.970 -11.327 2.265 468 HG2 GLU 59 HG1 GLU 59 -2.240 -9.854 0.333 469 HG3 GLU 59 HG2 GLU 59 -1.395 -10.460 1.749 470 H LYS 60 H LYS 60 -5.242 -8.542 3.665 471 HA LYS 60 HA LYS 60 -7.627 -10.094 4.109 472 HB2 LYS 60 HB1 LYS 60 -8.037 -8.739 6.065 473 HB3 LYS 60 HB2 LYS 60 -6.353 -9.277 6.016 474 HG2 LYS 60 HG1 LYS 60 -5.616 -7.098 5.293 475 HG3 LYS 60 HG2 LYS 60 -7.274 -6.498 5.137 476 HD2 LYS 60 HD1 LYS 60 -5.988 -7.385 7.737 477 HD3 LYS 60 HD2 LYS 60 -6.036 -5.723 7.129 478 HE2 LYS 60 HE1 LYS 60 -8.156 -5.386 7.786 479 HE3 LYS 60 HE2 LYS 60 -8.709 -6.884 7.031 480 HZ1 LYS 60 HZ1 LYS 60 -7.459 -6.670 9.696 481 HZ2 LYS 60 HZ2 LYS 60 -7.983 -8.072 8.983 482 HZ3 LYS 60 HZ3 LYS 60 -9.050 -6.891 9.397 483 H TYR 61 H TYR 61 -7.058 -7.047 2.500 484 HA TYR 61 HA TYR 61 -9.701 -5.973 2.654 485 HB2 TYR 61 HB1 TYR 61 -7.222 -5.258 1.530 486 HB3 TYR 61 HB2 TYR 61 -8.253 -5.449 0.139 487 HD1 TYR 61 HD2 TYR 61 -7.732 -3.867 3.375 488 HD2 TYR 61 HD1 TYR 61 -9.971 -3.716 -0.268 489 HE1 TYR 61 HE2 TYR 61 -8.701 -1.710 4.123 490 HE2 TYR 61 HE1 TYR 61 -10.881 -1.483 0.370 491 HH TYR 61 HH TYR 61 -11.273 -0.155 2.283 492 H HIS 62 H HIS 62 -8.163 -8.400 0.662 493 HA HIS 62 HA HIS 62 -10.678 -8.927 -0.853 494 HB2 HIS 62 HB1 HIS 62 -7.762 -9.467 -1.493 495 HB3 HIS 62 HB2 HIS 62 -9.109 -10.073 -2.448 496 HD1 HIS 62 HD1 HIS 62 -10.240 -8.405 -4.188 497 HD2 HIS 62 HD2 HIS 62 -7.362 -6.696 -1.603 498 HE1 HIS 62 HE1 HIS 62 -9.693 -6.161 -5.118 499 H ALA 63 H ALA 63 -9.449 -10.131 1.975 500 HA ALA 63 HA ALA 63 -10.597 -12.761 1.471 501 HB1 ALA 63 HB1 ALA 63 -7.749 -12.443 2.511 502 HB2 ALA 63 HB2 ALA 63 -8.693 -13.939 2.492 503 HB3 ALA 63 HB3 ALA 63 -8.226 -13.180 0.958 Start of MODEL 12 1 H1 GLY -1 H GLY -1 -2.726 -15.179 -3.495 2 HA2 GLY -1 HA1 GLY -1 -1.250 -17.018 -3.994 3 HA3 GLY -1 HA2 GLY -1 -1.267 -16.513 -5.700 4 HA PRO 0 HA PRO 0 2.356 -14.458 -3.615 5 HB2 PRO 0 HB1 PRO 0 4.247 -14.936 -5.557 6 HB3 PRO 0 HB2 PRO 0 3.861 -16.084 -4.247 7 HG2 PRO 0 HG1 PRO 0 2.816 -16.060 -7.090 8 HG3 PRO 0 HG2 PRO 0 3.459 -17.457 -6.162 9 HD2 PRO 0 HD1 PRO 0 0.787 -16.970 -6.434 10 HD3 PRO 0 HD2 PRO 0 1.461 -17.642 -4.926 11 H MET 1 H MET 1 3.645 -12.584 -4.506 12 HA MET 1 HA MET 1 2.818 -11.312 -6.968 13 HB2 MET 1 HB1 MET 1 1.797 -9.383 -5.902 14 HB3 MET 1 HB2 MET 1 0.850 -10.809 -5.569 15 HG2 MET 1 HG1 MET 1 1.388 -10.819 -3.322 16 HG3 MET 1 HG2 MET 1 2.961 -10.083 -3.565 17 HE1 MET 1 HE1 MET 1 -1.001 -9.050 -3.064 18 HE2 MET 1 HE2 MET 1 -0.828 -7.478 -3.868 19 HE3 MET 1 HE3 MET 1 -0.559 -8.971 -4.783 20 H ASN 2 H ASN 2 3.678 -8.722 -6.471 21 HA ASN 2 HA ASN 2 6.293 -8.785 -5.123 22 HB2 ASN 2 HB1 ASN 2 5.854 -8.222 -8.077 23 HB3 ASN 2 HB2 ASN 2 7.344 -7.842 -7.215 24 HD21 ASN 2 HD22 ASN 2 5.620 -10.298 -8.932 25 HD22 ASN 2 HD21 ASN 2 6.668 -11.632 -8.546 26 H ILE 3 H ILE 3 7.237 -6.415 -5.368 27 HA ILE 3 HA ILE 3 5.532 -4.544 -4.272 28 HB ILE 3 HB ILE 3 8.141 -4.299 -5.779 29 HG12 ILE 3 HG11 ILE 3 7.282 -3.828 -2.894 30 HG13 ILE 3 HG12 ILE 3 7.971 -5.334 -3.485 31 HG21 ILE 3 HG21 ILE 3 6.747 -1.934 -4.440 32 HG22 ILE 3 HG22 ILE 3 8.378 -1.949 -5.137 33 HG23 ILE 3 HG23 ILE 3 6.982 -2.113 -6.177 34 HD11 ILE 3 HD11 ILE 3 10.089 -4.096 -4.034 35 HD12 ILE 3 HD12 ILE 3 9.393 -2.656 -3.243 36 HD13 ILE 3 HD13 ILE 3 9.671 -4.126 -2.305 37 H SER 4 H SER 4 6.135 -4.912 -7.776 38 HA SER 4 HA SER 4 4.663 -2.622 -8.514 39 HB2 SER 4 HB1 SER 4 6.154 -4.595 -9.822 40 HB3 SER 4 HB2 SER 4 4.537 -4.721 -10.537 41 HG SER 4 HG SER 4 6.230 -3.067 -11.308 42 H ASP 5 H ASP 5 3.506 -5.834 -7.568 43 HA ASP 5 HA ASP 5 0.862 -5.580 -8.738 44 HB2 ASP 5 HB1 ASP 5 2.187 -7.714 -8.086 45 HB3 ASP 5 HB2 ASP 5 1.732 -7.329 -6.424 46 H ILE 6 H ILE 6 2.321 -5.270 -5.497 47 HA ILE 6 HA ILE 6 0.140 -4.585 -3.928 48 HB ILE 6 HB ILE 6 3.004 -3.537 -3.767 49 HG12 ILE 6 HG11 ILE 6 1.721 -5.910 -2.362 50 HG13 ILE 6 HG12 ILE 6 2.770 -6.028 -3.782 51 HG21 ILE 6 HG21 ILE 6 2.770 -3.044 -1.472 52 HG22 ILE 6 HG22 ILE 6 1.361 -2.284 -2.230 53 HG23 ILE 6 HG23 ILE 6 1.185 -3.824 -1.357 54 HD11 ILE 6 HD11 ILE 6 4.161 -6.535 -1.974 55 HD12 ILE 6 HD12 ILE 6 4.564 -4.864 -2.422 56 HD13 ILE 6 HD13 ILE 6 3.552 -5.183 -1.001 57 H ARG 7 H ARG 7 2.379 -2.242 -5.493 58 HA ARG 7 HA ARG 7 0.683 -0.009 -4.958 59 HB2 ARG 7 HB1 ARG 7 2.158 1.269 -6.370 60 HB3 ARG 7 HB2 ARG 7 3.111 0.147 -5.391 61 HG2 ARG 7 HG1 ARG 7 3.122 -1.410 -7.425 62 HG3 ARG 7 HG2 ARG 7 2.392 -0.092 -8.341 63 HD2 ARG 7 HD1 ARG 7 4.399 1.340 -7.530 64 HD3 ARG 7 HD2 ARG 7 5.108 -0.203 -7.002 65 HE ARG 7 HE ARG 7 4.136 -0.169 -9.752 66 HH11 ARG 7 HH11 ARG 7 6.925 0.662 -7.742 67 HH12 ARG 7 HH12 ARG 7 8.070 0.570 -9.064 68 HH21 ARG 7 HH21 ARG 7 5.578 -0.298 -11.447 69 HH22 ARG 7 HH22 ARG 7 7.270 0.088 -11.265 70 H ALA 8 H ALA 8 0.492 -2.383 -7.598 71 HA ALA 8 HA ALA 8 -1.013 -0.680 -9.352 72 HB1 ALA 8 HB1 ALA 8 -1.541 -2.797 -10.556 73 HB2 ALA 8 HB2 ALA 8 0.187 -2.525 -10.314 74 HB3 ALA 8 HB3 ALA 8 -0.690 -3.703 -9.304 75 H GLY 9 H GLY 9 -1.867 -2.526 -6.502 76 HA2 GLY 9 HA1 GLY 9 -4.737 -2.602 -7.184 77 HA3 GLY 9 HA2 GLY 9 -3.959 -3.216 -5.714 78 H LEU 10 H LEU 10 -2.551 -1.076 -4.777 79 HA LEU 10 HA LEU 10 -4.473 0.478 -3.454 80 HB2 LEU 10 HB1 LEU 10 -1.623 1.348 -3.930 81 HB3 LEU 10 HB2 LEU 10 -2.687 1.912 -2.655 82 HG LEU 10 HG LEU 10 -1.685 -0.945 -2.906 83 HD11 LEU 10 HD11 LEU 10 0.119 0.615 -2.316 84 HD12 LEU 10 HD12 LEU 10 -0.294 -0.473 -0.983 85 HD13 LEU 10 HD13 LEU 10 -0.852 1.217 -0.948 86 HD21 LEU 10 HD21 LEU 10 -3.260 0.365 -0.667 87 HD22 LEU 10 HD22 LEU 10 -2.571 -1.302 -0.684 88 HD23 LEU 10 HD23 LEU 10 -3.859 -0.870 -1.794 89 H ARG 11 H ARG 11 -2.855 1.247 -6.522 90 HA ARG 11 HA ARG 11 -3.593 4.011 -6.582 91 HB2 ARG 11 HB1 ARG 11 -3.194 3.939 -8.980 92 HB3 ARG 11 HB2 ARG 11 -1.926 3.071 -8.107 93 HG2 ARG 11 HG1 ARG 11 -3.077 0.940 -8.658 94 HG3 ARG 11 HG2 ARG 11 -4.220 1.833 -9.686 95 HD2 ARG 11 HD1 ARG 11 -2.407 2.593 -11.114 96 HD3 ARG 11 HD2 ARG 11 -1.213 1.801 -10.064 97 HE ARG 11 HE ARG 11 -3.156 -0.099 -10.896 98 HH11 ARG 11 HH11 ARG 11 -0.329 1.682 -12.154 99 HH12 ARG 11 HH12 ARG 11 -0.079 0.624 -13.495 100 HH21 ARG 11 HH21 ARG 11 -2.705 -1.616 -12.600 101 HH22 ARG 11 HH22 ARG 11 -1.444 -1.307 -13.722 102 H THR 12 H THR 12 -5.307 1.064 -7.734 103 HA THR 12 HA THR 12 -7.565 2.357 -8.777 104 HB THR 12 HB THR 12 -7.345 -0.431 -7.564 105 HG1 THR 12 HG1 THR 12 -6.599 -1.043 -9.634 106 HG21 THR 12 HG21 THR 12 -8.973 0.581 -9.933 107 HG22 THR 12 HG22 THR 12 -9.615 0.228 -8.311 108 HG23 THR 12 HG23 THR 12 -8.940 -1.074 -9.285 109 H LEU 13 H LEU 13 -6.792 1.046 -5.535 110 HA LEU 13 HA LEU 13 -9.305 1.415 -4.314 111 HB2 LEU 13 HB1 LEU 13 -6.495 1.259 -3.287 112 HB3 LEU 13 HB2 LEU 13 -7.745 1.798 -2.207 113 HG LEU 13 HG LEU 13 -8.814 -0.190 -2.075 114 HD11 LEU 13 HD11 LEU 13 -7.677 -1.192 -4.658 115 HD12 LEU 13 HD12 LEU 13 -9.387 -0.731 -4.301 116 HD13 LEU 13 HD13 LEU 13 -8.654 -2.116 -3.483 117 HD21 LEU 13 HD21 LEU 13 -7.209 -1.809 -1.509 118 HD22 LEU 13 HD22 LEU 13 -6.320 -0.270 -1.382 119 HD23 LEU 13 HD23 LEU 13 -6.097 -1.312 -2.805 120 H VAL 14 H VAL 14 -6.582 3.825 -4.546 121 HA VAL 14 HA VAL 14 -8.255 5.678 -3.040 122 HB VAL 14 HB VAL 14 -6.598 7.394 -3.515 123 HG11 VAL 14 HG11 VAL 14 -4.856 6.420 -2.148 124 HG12 VAL 14 HG12 VAL 14 -6.436 5.853 -1.590 125 HG13 VAL 14 HG13 VAL 14 -5.412 4.765 -2.555 126 HG21 VAL 14 HG21 VAL 14 -5.787 6.725 -5.734 127 HG22 VAL 14 HG22 VAL 14 -4.460 6.882 -4.578 128 HG23 VAL 14 HG23 VAL 14 -5.040 5.269 -5.037 129 H GLU 15 H GLU 15 -7.669 5.146 -6.516 130 HA GLU 15 HA GLU 15 -9.052 7.451 -7.441 131 HB2 GLU 15 HB1 GLU 15 -8.513 4.697 -8.631 132 HB3 GLU 15 HB2 GLU 15 -9.338 5.961 -9.546 133 HG2 GLU 15 HG1 GLU 15 -6.649 6.485 -8.247 134 HG3 GLU 15 HG2 GLU 15 -6.750 5.682 -9.802 135 H ASN 16 H ASN 16 -10.209 4.288 -6.345 136 HA ASN 16 HA ASN 16 -12.979 4.885 -7.181 137 HB2 ASN 16 HB1 ASN 16 -11.541 2.451 -6.061 138 HB3 ASN 16 HB2 ASN 16 -13.300 2.557 -6.044 139 HD21 ASN 16 HD22 ASN 16 -10.512 2.674 -8.314 140 HD22 ASN 16 HD21 ASN 16 -11.491 2.063 -9.665 141 H GLU 17 H GLU 17 -11.150 5.964 -4.675 142 HA GLU 17 HA GLU 17 -11.503 6.565 -2.529 143 HB2 GLU 17 HB1 GLU 17 -14.298 6.995 -3.651 144 HB3 GLU 17 HB2 GLU 17 -13.813 7.468 -2.023 145 HG2 GLU 17 HG1 GLU 17 -11.837 8.705 -3.089 146 HG3 GLU 17 HG2 GLU 17 -12.660 8.464 -4.638 147 H GLU 18 H GLU 18 -11.457 3.792 -2.978 148 HA GLU 18 HA GLU 18 -13.447 2.368 -1.452 149 HB2 GLU 18 HB1 GLU 18 -10.538 1.737 -2.125 150 HB3 GLU 18 HB2 GLU 18 -11.681 0.561 -1.485 151 HG2 GLU 18 HG1 GLU 18 -12.366 2.004 -4.042 152 HG3 GLU 18 HG2 GLU 18 -11.176 0.738 -4.098 153 H THR 19 H THR 19 -10.815 4.422 -0.607 154 HA THR 19 HA THR 19 -11.188 4.399 2.185 155 HB THR 19 HB THR 19 -9.951 2.208 1.805 156 HG1 THR 19 HG1 THR 19 -9.780 3.020 3.734 157 HG21 THR 19 HG21 THR 19 -8.493 3.005 -0.113 158 HG22 THR 19 HG22 THR 19 -7.613 2.213 1.191 159 HG23 THR 19 HG23 THR 19 -7.585 3.984 1.045 160 H THR 20 H THR 20 -8.732 5.519 2.867 161 HA THR 20 HA THR 20 -8.031 7.570 0.871 162 HB THR 20 HB THR 20 -7.860 9.170 2.885 163 HG1 THR 20 HG1 THR 20 -10.118 7.950 3.939 164 HG21 THR 20 HG21 THR 20 -10.094 10.039 2.559 165 HG22 THR 20 HG22 THR 20 -10.572 8.525 1.737 166 HG23 THR 20 HG23 THR 20 -9.318 9.575 1.035 167 H PHE 21 H PHE 21 -5.918 8.522 1.392 168 HA PHE 21 HA PHE 21 -3.960 6.620 2.045 169 HB2 PHE 21 HB1 PHE 21 -4.007 9.644 2.064 170 HB3 PHE 21 HB2 PHE 21 -2.541 8.768 2.523 171 HD1 PHE 21 HD2 PHE 21 -1.564 7.055 0.877 172 HD2 PHE 21 HD1 PHE 21 -4.474 10.025 -0.264 173 HE1 PHE 21 HE2 PHE 21 -0.962 6.740 -1.512 174 HE2 PHE 21 HE1 PHE 21 -3.892 9.689 -2.642 175 HZ PHE 21 HZ PHE 21 -2.118 8.061 -3.281 176 H LYS 22 H LYS 22 -5.698 8.858 4.217 177 HA LYS 22 HA LYS 22 -4.065 8.274 6.511 178 HB2 LYS 22 HB1 LYS 22 -5.560 10.301 6.150 179 HB3 LYS 22 HB2 LYS 22 -6.920 9.255 6.621 180 HG2 LYS 22 HG1 LYS 22 -5.768 8.766 8.778 181 HG3 LYS 22 HG2 LYS 22 -4.411 9.798 8.297 182 HD2 LYS 22 HD1 LYS 22 -7.289 10.729 8.581 183 HD3 LYS 22 HD2 LYS 22 -6.044 10.898 9.837 184 HE2 LYS 22 HE1 LYS 22 -4.674 12.266 8.266 185 HE3 LYS 22 HE2 LYS 22 -5.960 12.142 7.050 186 HZ1 LYS 22 HZ1 LYS 22 -7.437 13.256 8.656 187 HZ2 LYS 22 HZ2 LYS 22 -6.125 14.175 8.222 188 HZ3 LYS 22 HZ3 LYS 22 -6.178 13.426 9.690 189 H GLN 23 H GLN 23 -7.317 6.957 5.492 190 HA GLN 23 HA GLN 23 -7.471 5.240 7.736 191 HB2 GLN 23 HB1 GLN 23 -9.377 5.762 6.290 192 HB3 GLN 23 HB2 GLN 23 -8.610 4.940 4.950 193 HG2 GLN 23 HG1 GLN 23 -10.273 3.457 5.867 194 HG3 GLN 23 HG2 GLN 23 -8.718 2.768 6.283 195 HE21 GLN 23 HE22 GLN 23 -8.979 1.837 8.348 196 HE22 GLN 23 HE21 GLN 23 -9.837 2.571 9.676 197 H ILE 24 H ILE 24 -5.828 4.756 4.559 198 HA ILE 24 HA ILE 24 -5.203 1.998 5.003 199 HB ILE 24 HB ILE 24 -3.650 4.088 3.410 200 HG12 ILE 24 HG11 ILE 24 -5.498 1.905 2.355 201 HG13 ILE 24 HG12 ILE 24 -6.044 3.545 2.680 202 HG21 ILE 24 HG21 ILE 24 -2.208 2.116 3.993 203 HG22 ILE 24 HG22 ILE 24 -3.477 1.034 3.418 204 HG23 ILE 24 HG23 ILE 24 -2.594 2.086 2.288 205 HD11 ILE 24 HD11 ILE 24 -3.871 2.787 0.678 206 HD12 ILE 24 HD12 ILE 24 -5.500 3.321 0.303 207 HD13 ILE 24 HD13 ILE 24 -4.373 4.448 1.079 208 H ALA 25 H ALA 25 -3.395 5.025 5.806 209 HA ALA 25 HA ALA 25 -1.115 3.790 6.934 210 HB1 ALA 25 HB1 ALA 25 -1.516 6.229 6.256 211 HB2 ALA 25 HB2 ALA 25 -2.337 6.430 7.820 212 HB3 ALA 25 HB3 ALA 25 -0.626 5.973 7.748 213 H LEU 26 H LEU 26 -4.250 4.643 8.354 214 HA LEU 26 HA LEU 26 -3.678 4.171 11.080 215 HB2 LEU 26 HB1 LEU 26 -5.623 5.375 10.121 216 HB3 LEU 26 HB2 LEU 26 -6.308 3.844 9.589 217 HG LEU 26 HG LEU 26 -5.795 4.623 12.488 218 HD11 LEU 26 HD11 LEU 26 -8.368 4.482 10.844 219 HD12 LEU 26 HD12 LEU 26 -7.539 5.971 11.342 220 HD13 LEU 26 HD13 LEU 26 -8.247 4.900 12.560 221 HD21 LEU 26 HD21 LEU 26 -7.443 2.717 12.933 222 HD22 LEU 26 HD22 LEU 26 -5.841 2.219 12.465 223 HD23 LEU 26 HD23 LEU 26 -7.163 2.185 11.267 224 H GLU 27 H GLU 27 -5.278 2.064 8.680 225 HA GLU 27 HA GLU 27 -5.381 -0.257 10.292 226 HB2 GLU 27 HB1 GLU 27 -5.497 0.168 7.265 227 HB3 GLU 27 HB2 GLU 27 -5.831 -1.364 8.047 228 HG2 GLU 27 HG1 GLU 27 -7.354 1.119 8.852 229 HG3 GLU 27 HG2 GLU 27 -7.786 0.208 7.401 230 H SER 28 H SER 28 -2.991 0.660 7.776 231 HA SER 28 HA SER 28 -1.535 -1.845 7.985 232 HB2 SER 28 HB1 SER 28 0.021 -0.762 6.423 233 HB3 SER 28 HB2 SER 28 -1.656 -0.489 5.905 234 HG SER 28 HG SER 28 -1.607 1.528 6.558 235 H GLY 29 H GLY 29 -1.353 1.152 9.757 236 HA2 GLY 29 HA1 GLY 29 0.007 1.517 11.692 237 HA3 GLY 29 HA2 GLY 29 0.948 0.096 11.295 238 H LEU 30 H LEU 30 0.758 1.724 8.399 239 HA LEU 30 HA LEU 30 3.492 2.783 8.616 240 HB2 LEU 30 HB1 LEU 30 1.489 2.679 6.314 241 HB3 LEU 30 HB2 LEU 30 3.160 3.192 6.149 242 HG LEU 30 HG LEU 30 2.407 0.414 7.126 243 HD11 LEU 30 HD11 LEU 30 2.941 -0.317 4.795 244 HD12 LEU 30 HD12 LEU 30 2.947 1.396 4.302 245 HD13 LEU 30 HD13 LEU 30 1.469 0.655 4.931 246 HD21 LEU 30 HD21 LEU 30 4.727 -0.132 6.469 247 HD22 LEU 30 HD22 LEU 30 4.712 1.148 7.680 248 HD23 LEU 30 HD23 LEU 30 4.999 1.558 5.979 249 H SER 31 H SER 31 3.734 4.918 7.229 250 HA SER 31 HA SER 31 2.172 7.043 8.586 251 HB2 SER 31 HB1 SER 31 4.661 7.176 8.591 252 HB3 SER 31 HB2 SER 31 4.666 7.129 6.826 253 HG SER 31 HG SER 31 4.824 9.245 7.763 254 H THR 32 H THR 32 1.096 8.631 7.320 255 HA THR 32 HA THR 32 -0.278 7.693 5.017 256 HB THR 32 HB THR 32 -1.076 10.021 4.850 257 HG1 THR 32 HG1 THR 32 0.471 10.701 7.129 258 HG21 THR 32 HG21 THR 32 -2.056 8.481 6.509 259 HG22 THR 32 HG22 THR 32 -2.200 10.185 6.979 260 HG23 THR 32 HG23 THR 32 -1.001 9.131 7.767 261 H GLY 33 H GLY 33 2.544 9.848 5.332 262 HA2 GLY 33 HA1 GLY 33 2.836 10.469 2.556 263 HA3 GLY 33 HA2 GLY 33 4.075 10.604 3.810 264 H THR 34 H THR 34 4.125 7.797 4.606 265 HA THR 34 HA THR 34 6.008 6.823 2.754 266 HB THR 34 HB THR 34 4.450 5.504 5.008 267 HG1 THR 34 HG1 THR 34 6.793 5.692 5.753 268 HG21 THR 34 HG21 THR 34 6.226 3.739 4.896 269 HG22 THR 34 HG22 THR 34 6.702 4.404 3.303 270 HG23 THR 34 HG23 THR 34 5.086 3.718 3.545 271 H ILE 35 H ILE 35 2.525 5.857 3.245 272 HA ILE 35 HA ILE 35 2.461 3.878 1.269 273 HB ILE 35 HB ILE 35 0.343 5.834 2.239 274 HG12 ILE 35 HG11 ILE 35 0.530 2.889 2.913 275 HG13 ILE 35 HG12 ILE 35 1.592 3.994 3.764 276 HG21 ILE 35 HG21 ILE 35 -1.348 4.190 1.389 277 HG22 ILE 35 HG22 ILE 35 -0.425 4.905 0.075 278 HG23 ILE 35 HG23 ILE 35 -0.049 3.261 0.618 279 HD11 ILE 35 HD11 ILE 35 -0.218 5.276 4.635 280 HD12 ILE 35 HD12 ILE 35 -1.406 4.386 3.668 281 HD13 ILE 35 HD13 ILE 35 -0.507 3.548 4.951 282 H SER 36 H SER 36 1.737 7.410 0.846 283 HA SER 36 HA SER 36 1.302 7.143 -1.952 284 HB2 SER 36 HB1 SER 36 1.835 9.633 -1.985 285 HB3 SER 36 HB2 SER 36 0.475 9.085 -1.007 286 HG SER 36 HG SER 36 2.978 10.094 -0.210 287 H SER 37 H SER 37 4.322 7.910 -0.147 288 HA SER 37 HA SER 37 5.893 8.379 -2.448 289 HB2 SER 37 HB1 SER 37 6.265 8.911 0.055 290 HB3 SER 37 HB2 SER 37 6.948 7.279 0.172 291 HG SER 37 HG SER 37 8.377 9.148 -0.274 292 H PHE 38 H PHE 38 5.054 5.345 -0.753 293 HA PHE 38 HA PHE 38 6.898 3.657 -2.145 294 HB2 PHE 38 HB1 PHE 38 5.931 2.944 -0.081 295 HB3 PHE 38 HB2 PHE 38 4.290 3.158 -0.667 296 HD1 PHE 38 HD1 PHE 38 7.338 1.023 -0.956 297 HD2 PHE 38 HD2 PHE 38 3.178 1.492 -2.017 298 HE1 PHE 38 HE1 PHE 38 7.290 -1.288 -1.803 299 HE2 PHE 38 HE2 PHE 38 3.137 -0.829 -2.871 300 HZ PHE 38 HZ PHE 38 5.159 -2.242 -2.736 301 H ILE 39 H ILE 39 3.397 4.358 -2.702 302 HA ILE 39 HA ILE 39 3.146 2.787 -5.055 303 HB ILE 39 HB ILE 39 1.623 5.254 -4.122 304 HG12 ILE 39 HG11 ILE 39 0.750 2.339 -3.918 305 HG13 ILE 39 HG12 ILE 39 1.651 3.120 -2.631 306 HG21 ILE 39 HG21 ILE 39 1.195 4.884 -6.541 307 HG22 ILE 39 HG22 ILE 39 0.785 3.189 -6.211 308 HG23 ILE 39 HG23 ILE 39 -0.230 4.499 -5.591 309 HD11 ILE 39 HD11 ILE 39 -0.097 4.902 -2.500 310 HD12 ILE 39 HD12 ILE 39 -1.094 3.940 -3.617 311 HD13 ILE 39 HD13 ILE 39 -0.635 3.280 -2.042 312 H ASN 40 H ASN 40 4.062 6.205 -4.581 313 HA ASN 40 HA ASN 40 4.222 6.900 -7.358 314 HB2 ASN 40 HB1 ASN 40 3.933 8.453 -5.347 315 HB3 ASN 40 HB2 ASN 40 5.600 8.112 -4.920 316 HD21 ASN 40 HD22 ASN 40 3.904 8.967 -8.100 317 HD22 ASN 40 HD21 ASN 40 5.005 10.316 -8.348 318 H ASP 41 H ASP 41 6.183 4.926 -5.408 319 HA ASP 41 HA ASP 41 8.124 3.943 -5.519 320 HB2 ASP 41 HB1 ASP 41 7.247 3.385 -7.835 321 HB3 ASP 41 HB2 ASP 41 8.347 4.620 -8.458 322 H LYS 42 H LYS 42 8.198 6.255 -4.396 323 HA LYS 42 HA LYS 42 10.875 7.404 -5.029 324 HB2 LYS 42 HB1 LYS 42 8.256 8.815 -4.347 325 HB3 LYS 42 HB2 LYS 42 9.811 9.623 -4.240 326 HG2 LYS 42 HG1 LYS 42 8.608 8.421 -6.773 327 HG3 LYS 42 HG2 LYS 42 8.594 10.113 -6.349 328 HD2 LYS 42 HD1 LYS 42 11.093 8.445 -6.904 329 HD3 LYS 42 HD2 LYS 42 10.321 9.549 -8.039 330 HE2 LYS 42 HE1 LYS 42 10.863 11.480 -6.746 331 HE3 LYS 42 HE2 LYS 42 11.266 10.519 -5.327 332 HZ1 LYS 42 HZ1 LYS 42 12.879 10.705 -7.790 333 HZ2 LYS 42 HZ2 LYS 42 13.156 9.609 -6.575 334 HZ3 LYS 42 HZ3 LYS 42 13.243 11.218 -6.270 335 H TYR 43 H TYR 43 9.111 5.717 -2.735 336 HA TYR 43 HA TYR 43 9.778 7.064 -0.335 337 HB2 TYR 43 HB1 TYR 43 8.124 5.273 -0.426 338 HB3 TYR 43 HB2 TYR 43 9.362 4.103 -0.869 339 HD1 TYR 43 HD1 TYR 43 8.406 6.545 1.845 340 HD2 TYR 43 HD2 TYR 43 10.565 2.954 0.826 341 HE1 TYR 43 HE1 TYR 43 8.905 6.174 4.223 342 HE2 TYR 43 HE2 TYR 43 11.019 2.539 3.215 343 HH TYR 43 HH TYR 43 11.018 3.535 5.394 344 H ASN 44 H ASN 44 11.531 7.149 0.949 345 HA ASN 44 HA ASN 44 14.028 5.776 0.086 346 HB2 ASN 44 HB1 ASN 44 13.531 8.476 1.403 347 HB3 ASN 44 HB2 ASN 44 15.092 7.656 1.478 348 HD21 ASN 44 HD22 ASN 44 14.474 10.227 0.231 349 HD22 ASN 44 HD21 ASN 44 14.992 10.062 -1.437 350 H GLY 45 H GLY 45 14.271 4.050 1.377 351 HA2 GLY 45 HA1 GLY 45 14.988 3.960 3.954 352 HA3 GLY 45 HA2 GLY 45 13.222 4.013 4.102 353 H ASP 46 H ASP 46 12.978 1.963 4.812 354 HA ASP 46 HA ASP 46 14.030 -0.361 3.359 355 HB2 ASP 46 HB1 ASP 46 12.142 -0.236 5.743 356 HB3 ASP 46 HB2 ASP 46 13.026 -1.635 5.152 357 H ASN 47 H ASN 47 12.908 0.324 1.332 358 HA ASN 47 HA ASN 47 10.127 0.681 1.051 359 HB2 ASN 47 HB1 ASN 47 11.989 -0.646 -0.954 360 HB3 ASN 47 HB2 ASN 47 10.394 -0.007 -1.302 361 HD21 ASN 47 HD22 ASN 47 10.778 1.876 -2.645 362 HD22 ASN 47 HD21 ASN 47 11.788 3.189 -2.050 363 H GLU 48 H GLU 48 11.986 -2.266 1.421 364 HA GLU 48 HA GLU 48 9.958 -4.169 0.748 365 HB2 GLU 48 HB1 GLU 48 11.397 -5.735 2.032 366 HB3 GLU 48 HB2 GLU 48 12.230 -4.835 0.760 367 HG2 GLU 48 HG1 GLU 48 13.212 -3.328 2.502 368 HG3 GLU 48 HG2 GLU 48 12.401 -4.275 3.761 369 H ARG 49 H ARG 49 10.903 -2.608 3.831 370 HA ARG 49 HA ARG 49 9.276 -4.115 5.590 371 HB2 ARG 49 HB1 ARG 49 11.041 -2.411 6.257 372 HB3 ARG 49 HB2 ARG 49 9.933 -1.141 5.772 373 HG2 ARG 49 HG1 ARG 49 9.690 -1.163 8.061 374 HG3 ARG 49 HG2 ARG 49 8.276 -2.056 7.508 375 HD2 ARG 49 HD1 ARG 49 9.263 -3.120 9.465 376 HD3 ARG 49 HD2 ARG 49 9.416 -4.187 8.077 377 HE ARG 49 HE ARG 49 11.608 -2.498 9.267 378 HH11 ARG 49 HH11 ARG 49 10.686 -5.431 7.356 379 HH12 ARG 49 HH12 ARG 49 12.340 -5.937 7.255 380 HH21 ARG 49 HH21 ARG 49 13.769 -3.381 9.115 381 HH22 ARG 49 HH22 ARG 49 13.990 -4.869 8.236 382 H VAL 50 H VAL 50 8.655 -1.100 3.853 383 HA VAL 50 HA VAL 50 5.949 -0.734 4.582 384 HB VAL 50 HB VAL 50 7.440 0.094 2.055 385 HG11 VAL 50 HG11 VAL 50 5.829 1.979 1.971 386 HG12 VAL 50 HG12 VAL 50 5.041 0.414 1.762 387 HG13 VAL 50 HG13 VAL 50 4.938 1.253 3.325 388 HG21 VAL 50 HG21 VAL 50 8.644 0.907 4.040 389 HG22 VAL 50 HG22 VAL 50 7.836 2.242 3.239 390 HG23 VAL 50 HG23 VAL 50 7.130 1.545 4.717 391 H SER 51 H SER 51 7.322 -2.251 1.570 392 HA SER 51 HA SER 51 4.959 -3.027 0.361 393 HB2 SER 51 HB1 SER 51 6.970 -3.149 -0.792 394 HB3 SER 51 HB2 SER 51 7.773 -4.130 0.453 395 HG SER 51 HG SER 51 7.313 -5.688 -0.813 396 H GLN 52 H GLN 52 6.915 -5.089 2.622 397 HA GLN 52 HA GLN 52 5.025 -7.182 2.652 398 HB2 GLN 52 HB1 GLN 52 7.136 -6.357 4.669 399 HB3 GLN 52 HB2 GLN 52 6.214 -7.859 4.765 400 HG2 GLN 52 HG1 GLN 52 8.271 -7.017 2.678 401 HG3 GLN 52 HG2 GLN 52 8.311 -8.412 3.729 402 HE21 GLN 52 HE22 GLN 52 5.933 -9.723 3.329 403 HE22 GLN 52 HE21 GLN 52 5.561 -9.924 1.610 404 H THR 53 H THR 53 5.132 -4.240 4.680 405 HA THR 53 HA THR 53 3.032 -5.160 6.424 406 HB THR 53 HB THR 53 4.125 -2.409 5.707 407 HG1 THR 53 HG1 THR 53 4.518 -4.033 8.016 408 HG21 THR 53 HG21 THR 53 3.162 -1.641 7.846 409 HG22 THR 53 HG22 THR 53 2.315 -3.188 8.012 410 HG23 THR 53 HG23 THR 53 1.900 -2.096 6.682 411 H LEU 54 H LEU 54 3.037 -3.660 3.152 412 HA LEU 54 HA LEU 54 0.215 -2.968 3.236 413 HB2 LEU 54 HB1 LEU 54 2.210 -3.179 0.947 414 HB3 LEU 54 HB2 LEU 54 0.549 -2.613 0.771 415 HG LEU 54 HG LEU 54 2.522 -1.246 2.643 416 HD11 LEU 54 HD11 LEU 54 1.934 -0.608 -0.269 417 HD12 LEU 54 HD12 LEU 54 3.481 -1.155 0.405 418 HD13 LEU 54 HD13 LEU 54 2.840 0.435 0.849 419 HD21 LEU 54 HD21 LEU 54 0.137 -0.764 3.036 420 HD22 LEU 54 HD22 LEU 54 -0.015 -0.237 1.351 421 HD23 LEU 54 HD23 LEU 54 1.038 0.649 2.473 422 H GLN 55 H GLN 55 2.226 -5.666 2.064 423 HA GLN 55 HA GLN 55 0.378 -7.142 0.596 424 HB2 GLN 55 HB1 GLN 55 2.496 -8.173 2.560 425 HB3 GLN 55 HB2 GLN 55 1.553 -9.195 1.521 426 HG2 GLN 55 HG1 GLN 55 2.551 -7.323 -0.271 427 HG3 GLN 55 HG2 GLN 55 3.865 -7.463 0.855 428 HE21 GLN 55 HE22 GLN 55 1.572 -9.670 -0.892 429 HE22 GLN 55 HE21 GLN 55 2.746 -10.939 -1.186 430 H ARG 56 H ARG 56 0.902 -7.310 4.124 431 HA ARG 56 HA ARG 56 -1.128 -9.201 4.724 432 HB2 ARG 56 HB1 ARG 56 -0.156 -6.871 6.443 433 HB3 ARG 56 HB2 ARG 56 -1.018 -8.280 7.027 434 HG2 ARG 56 HG1 ARG 56 1.811 -8.161 5.898 435 HG3 ARG 56 HG2 ARG 56 1.341 -8.474 7.550 436 HD2 ARG 56 HD1 ARG 56 1.078 -10.290 5.129 437 HD3 ARG 56 HD2 ARG 56 2.008 -10.572 6.602 438 HE ARG 56 HE ARG 56 -0.723 -11.261 6.088 439 HH11 ARG 56 HH11 ARG 56 1.231 -10.101 8.863 440 HH12 ARG 56 HH12 ARG 56 -0.025 -10.550 9.991 441 HH21 ARG 56 HH21 ARG 56 -2.295 -11.603 7.571 442 HH22 ARG 56 HH22 ARG 56 -2.031 -11.220 9.272 443 H TRP 57 H TRP 57 -1.338 -5.612 4.669 444 HA TRP 57 HA TRP 57 -4.103 -5.558 5.412 445 HB2 TRP 57 HB1 TRP 57 -2.604 -3.653 5.684 446 HB3 TRP 57 HB2 TRP 57 -2.358 -3.550 3.945 447 HD1 TRP 57 HD1 TRP 57 -4.868 -2.659 6.648 448 HE1 TRP 57 HE1 TRP 57 -6.685 -1.116 5.666 449 HE3 TRP 57 HE3 TRP 57 -3.752 -3.185 1.769 450 HZ2 TRP 57 HZ2 TRP 57 -7.427 -0.096 3.010 451 HZ3 TRP 57 HZ3 TRP 57 -5.082 -2.121 -0.001 452 HH2 TRP 57 HH2 TRP 57 -6.994 -0.580 0.622 453 H LEU 58 H LEU 58 -2.517 -5.600 2.152 454 HA LEU 58 HA LEU 58 -4.964 -5.336 0.695 455 HB2 LEU 58 HB1 LEU 58 -2.194 -6.260 0.046 456 HB3 LEU 58 HB2 LEU 58 -3.472 -6.679 -1.091 457 HG LEU 58 HG LEU 58 -3.173 -3.885 -0.079 458 HD11 LEU 58 HD11 LEU 58 -1.693 -5.054 -2.459 459 HD12 LEU 58 HD12 LEU 58 -0.955 -4.528 -0.927 460 HD13 LEU 58 HD13 LEU 58 -1.704 -3.335 -2.011 461 HD21 LEU 58 HD21 LEU 58 -4.083 -3.209 -2.289 462 HD22 LEU 58 HD22 LEU 58 -5.185 -4.121 -1.265 463 HD23 LEU 58 HD23 LEU 58 -4.376 -4.915 -2.632 464 H GLU 59 H GLU 59 -3.347 -8.168 2.100 465 HA GLU 59 HA GLU 59 -4.933 -10.147 0.761 466 HB2 GLU 59 HB1 GLU 59 -3.273 -10.083 3.300 467 HB3 GLU 59 HB2 GLU 59 -4.222 -11.514 2.875 468 HG2 GLU 59 HG1 GLU 59 -3.098 -11.815 0.802 469 HG3 GLU 59 HG2 GLU 59 -2.416 -10.202 0.837 470 H LYS 60 H LYS 60 -5.421 -8.412 3.918 471 HA LYS 60 HA LYS 60 -7.894 -9.884 4.317 472 HB2 LYS 60 HB1 LYS 60 -8.308 -8.684 6.258 473 HB3 LYS 60 HB2 LYS 60 -6.570 -8.897 6.180 474 HG2 LYS 60 HG1 LYS 60 -6.715 -6.724 6.941 475 HG3 LYS 60 HG2 LYS 60 -6.528 -6.472 5.236 476 HD2 LYS 60 HD1 LYS 60 -8.229 -4.972 5.742 477 HD3 LYS 60 HD2 LYS 60 -9.163 -6.347 5.188 478 HE2 LYS 60 HE1 LYS 60 -10.289 -5.910 7.118 479 HE3 LYS 60 HE2 LYS 60 -9.098 -7.052 7.759 480 HZ1 LYS 60 HZ1 LYS 60 -9.183 -5.082 9.155 481 HZ2 LYS 60 HZ2 LYS 60 -9.007 -4.100 7.855 482 HZ3 LYS 60 HZ3 LYS 60 -7.753 -4.996 8.353 483 H TYR 61 H TYR 61 -7.053 -7.013 2.578 484 HA TYR 61 HA TYR 61 -9.744 -6.050 2.318 485 HB2 TYR 61 HB1 TYR 61 -7.122 -5.095 1.743 486 HB3 TYR 61 HB2 TYR 61 -7.945 -5.131 0.215 487 HD1 TYR 61 HD2 TYR 61 -8.028 -3.801 3.666 488 HD2 TYR 61 HD1 TYR 61 -9.747 -3.635 -0.289 489 HE1 TYR 61 HE2 TYR 61 -9.121 -1.678 4.270 490 HE2 TYR 61 HE1 TYR 61 -10.833 -1.527 0.244 491 HH TYR 61 HH TYR 61 -10.654 0.002 3.513 492 H HIS 62 H HIS 62 -7.547 -7.369 -0.221 493 HA HIS 62 HA HIS 62 -9.805 -7.824 -1.998 494 HB2 HIS 62 HB1 HIS 62 -6.837 -8.376 -2.186 495 HB3 HIS 62 HB2 HIS 62 -7.948 -8.799 -3.474 496 HD1 HIS 62 HD1 HIS 62 -8.528 -6.913 -5.195 497 HD2 HIS 62 HD2 HIS 62 -6.677 -5.647 -1.629 498 HE1 HIS 62 HE1 HIS 62 -7.909 -4.473 -5.528 499 H ALA 63 H ALA 63 -8.848 -10.046 0.542 500 HA ALA 63 HA ALA 63 -9.933 -12.229 -1.189 501 HB1 ALA 63 HB1 ALA 63 -8.346 -13.789 -0.285 502 HB2 ALA 63 HB2 ALA 63 -7.436 -12.419 -0.956 503 HB3 ALA 63 HB3 ALA 63 -7.667 -12.565 0.797 Start of MODEL 13 1 H1 GLY -1 H GLY -1 -1.365 -18.463 -3.773 2 HA2 GLY -1 HA1 GLY -1 0.598 -17.658 -5.040 3 HA3 GLY -1 HA2 GLY -1 -0.874 -16.752 -5.396 4 HA PRO 0 HA PRO 0 2.188 -14.015 -2.922 5 HB2 PRO 0 HB1 PRO 0 4.752 -14.077 -3.794 6 HB3 PRO 0 HB2 PRO 0 4.118 -15.396 -2.756 7 HG2 PRO 0 HG1 PRO 0 4.303 -15.366 -5.794 8 HG3 PRO 0 HG2 PRO 0 4.909 -16.614 -4.648 9 HD2 PRO 0 HD1 PRO 0 2.464 -16.805 -5.863 10 HD3 PRO 0 HD2 PRO 0 2.774 -17.407 -4.212 11 H MET 1 H MET 1 3.570 -12.053 -3.714 12 HA MET 1 HA MET 1 3.315 -11.219 -6.492 13 HB2 MET 1 HB1 MET 1 1.925 -9.256 -5.882 14 HB3 MET 1 HB2 MET 1 1.087 -10.780 -5.836 15 HG2 MET 1 HG1 MET 1 1.443 -10.801 -3.314 16 HG3 MET 1 HG2 MET 1 2.048 -9.156 -3.457 17 HE1 MET 1 HE1 MET 1 -0.968 -7.083 -4.432 18 HE2 MET 1 HE2 MET 1 0.784 -7.305 -4.502 19 HE3 MET 1 HE3 MET 1 -0.231 -7.960 -5.794 20 H ASN 2 H ASN 2 4.357 -9.116 -6.791 21 HA ASN 2 HA ASN 2 6.527 -8.689 -4.801 22 HB2 ASN 2 HB1 ASN 2 7.940 -8.035 -6.611 23 HB3 ASN 2 HB2 ASN 2 7.154 -9.525 -7.125 24 HD21 ASN 2 HD22 ASN 2 5.632 -9.401 -8.924 25 HD22 ASN 2 HD21 ASN 2 5.035 -7.891 -9.540 26 H ILE 3 H ILE 3 7.461 -6.398 -4.951 27 HA ILE 3 HA ILE 3 5.762 -4.516 -3.926 28 HB ILE 3 HB ILE 3 8.352 -4.172 -5.462 29 HG12 ILE 3 HG11 ILE 3 7.537 -4.452 -2.562 30 HG13 ILE 3 HG12 ILE 3 8.671 -5.420 -3.488 31 HG21 ILE 3 HG21 ILE 3 8.551 -1.882 -4.521 32 HG22 ILE 3 HG22 ILE 3 7.194 -1.998 -5.619 33 HG23 ILE 3 HG23 ILE 3 6.900 -2.024 -3.875 34 HD11 ILE 3 HD11 ILE 3 9.943 -4.143 -1.942 35 HD12 ILE 3 HD12 ILE 3 10.209 -3.380 -3.527 36 HD13 ILE 3 HD13 ILE 3 9.101 -2.645 -2.344 37 H SER 4 H SER 4 6.510 -4.700 -7.459 38 HA SER 4 HA SER 4 5.056 -2.392 -8.183 39 HB2 SER 4 HB1 SER 4 6.736 -3.447 -9.601 40 HB3 SER 4 HB2 SER 4 5.735 -4.895 -9.759 41 HG SER 4 HG SER 4 4.336 -3.896 -10.973 42 H ASP 5 H ASP 5 3.987 -5.825 -7.744 43 HA ASP 5 HA ASP 5 1.350 -5.383 -8.809 44 HB2 ASP 5 HB1 ASP 5 2.483 -7.511 -6.967 45 HB3 ASP 5 HB2 ASP 5 0.866 -7.549 -7.675 46 H ILE 6 H ILE 6 2.811 -5.379 -5.569 47 HA ILE 6 HA ILE 6 0.435 -5.133 -4.004 48 HB ILE 6 HB ILE 6 3.306 -4.251 -3.463 49 HG12 ILE 6 HG11 ILE 6 1.810 -6.661 -2.327 50 HG13 ILE 6 HG12 ILE 6 2.761 -6.762 -3.789 51 HG21 ILE 6 HG21 ILE 6 1.726 -2.994 -1.983 52 HG22 ILE 6 HG22 ILE 6 1.033 -4.540 -1.448 53 HG23 ILE 6 HG23 ILE 6 2.716 -4.133 -1.075 54 HD11 ILE 6 HD11 ILE 6 3.839 -6.098 -1.047 55 HD12 ILE 6 HD12 ILE 6 4.106 -7.564 -2.006 56 HD13 ILE 6 HD13 ILE 6 4.788 -6.027 -2.555 57 H ARG 7 H ARG 7 2.723 -2.545 -5.138 58 HA ARG 7 HA ARG 7 0.989 -0.441 -4.276 59 HB2 ARG 7 HB1 ARG 7 2.370 1.072 -5.448 60 HB3 ARG 7 HB2 ARG 7 3.428 -0.211 -4.844 61 HG2 ARG 7 HG1 ARG 7 3.326 -1.280 -7.087 62 HG3 ARG 7 HG2 ARG 7 2.373 0.091 -7.680 63 HD2 ARG 7 HD1 ARG 7 4.398 1.542 -6.977 64 HD3 ARG 7 HD2 ARG 7 5.273 -0.004 -6.864 65 HE ARG 7 HE ARG 7 3.961 -0.115 -9.297 66 HH11 ARG 7 HH11 ARG 7 6.633 1.592 -7.853 67 HH12 ARG 7 HH12 ARG 7 7.281 2.200 -9.346 68 HH21 ARG 7 HH21 ARG 7 4.772 0.625 -11.307 69 HH22 ARG 7 HH22 ARG 7 6.128 1.693 -11.366 70 H ALA 8 H ALA 8 1.063 -2.271 -7.377 71 HA ALA 8 HA ALA 8 -0.689 -0.583 -8.808 72 HB1 ALA 8 HB1 ALA 8 0.620 -2.475 -9.839 73 HB2 ALA 8 HB2 ALA 8 -0.467 -3.625 -9.040 74 HB3 ALA 8 HB3 ALA 8 -1.103 -2.507 -10.256 75 H GLY 9 H GLY 9 -1.427 -3.168 -6.401 76 HA2 GLY 9 HA1 GLY 9 -4.243 -3.225 -6.943 77 HA3 GLY 9 HA2 GLY 9 -3.450 -3.734 -5.435 78 H LEU 10 H LEU 10 -2.218 -1.372 -4.641 79 HA LEU 10 HA LEU 10 -4.291 0.010 -3.331 80 HB2 LEU 10 HB1 LEU 10 -1.546 1.149 -3.987 81 HB3 LEU 10 HB2 LEU 10 -2.636 1.746 -2.761 82 HG LEU 10 HG LEU 10 -1.231 -0.938 -2.678 83 HD11 LEU 10 HD11 LEU 10 -0.037 0.121 -0.778 84 HD12 LEU 10 HD12 LEU 10 -0.842 1.659 -1.136 85 HD13 LEU 10 HD13 LEU 10 0.275 0.939 -2.321 86 HD21 LEU 10 HD21 LEU 10 -2.131 -1.091 -0.364 87 HD22 LEU 10 HD22 LEU 10 -3.422 -1.075 -1.566 88 HD23 LEU 10 HD23 LEU 10 -3.072 0.391 -0.634 89 H ARG 11 H ARG 11 -2.807 0.752 -6.406 90 HA ARG 11 HA ARG 11 -3.605 3.400 -6.892 91 HB2 ARG 11 HB1 ARG 11 -3.814 1.040 -8.823 92 HB3 ARG 11 HB2 ARG 11 -3.811 2.701 -9.308 93 HG2 ARG 11 HG1 ARG 11 -1.461 1.437 -7.866 94 HG3 ARG 11 HG2 ARG 11 -1.665 1.354 -9.604 95 HD2 ARG 11 HD1 ARG 11 -1.836 3.842 -9.654 96 HD3 ARG 11 HD2 ARG 11 -1.468 3.846 -7.919 97 HE ARG 11 HE ARG 11 0.755 3.446 -8.385 98 HH11 ARG 11 HH11 ARG 11 -1.112 2.813 -11.379 99 HH12 ARG 11 HH12 ARG 11 0.272 2.749 -12.393 100 HH21 ARG 11 HH21 ARG 11 2.630 3.365 -9.808 101 HH22 ARG 11 HH22 ARG 11 2.393 3.026 -11.483 102 H THR 12 H THR 12 -5.490 0.421 -7.566 103 HA THR 12 HA THR 12 -7.756 1.695 -8.575 104 HB THR 12 HB THR 12 -7.915 -0.874 -7.038 105 HG1 THR 12 HG1 THR 12 -6.599 -1.887 -8.055 106 HG21 THR 12 HG21 THR 12 -9.198 -1.570 -9.104 107 HG22 THR 12 HG22 THR 12 -8.904 0.052 -9.776 108 HG23 THR 12 HG23 THR 12 -9.879 -0.146 -8.312 109 H LEU 13 H LEU 13 -7.010 0.565 -5.289 110 HA LEU 13 HA LEU 13 -9.454 1.197 -4.067 111 HB2 LEU 13 HB1 LEU 13 -6.634 0.774 -3.105 112 HB3 LEU 13 HB2 LEU 13 -7.791 1.453 -1.990 113 HG LEU 13 HG LEU 13 -7.529 -0.946 -1.709 114 HD11 LEU 13 HD11 LEU 13 -9.696 0.087 -1.108 115 HD12 LEU 13 HD12 LEU 13 -9.870 -1.594 -1.645 116 HD13 LEU 13 HD13 LEU 13 -10.314 -0.308 -2.740 117 HD21 LEU 13 HD21 LEU 13 -7.082 -1.608 -4.042 118 HD22 LEU 13 HD22 LEU 13 -8.792 -1.274 -4.454 119 HD23 LEU 13 HD23 LEU 13 -8.383 -2.561 -3.314 120 H VAL 14 H VAL 14 -6.604 3.403 -4.621 121 HA VAL 14 HA VAL 14 -8.079 5.521 -3.170 122 HB VAL 14 HB VAL 14 -6.261 7.017 -3.863 123 HG11 VAL 14 HG11 VAL 14 -4.649 6.124 -2.339 124 HG12 VAL 14 HG12 VAL 14 -6.267 5.754 -1.732 125 HG13 VAL 14 HG13 VAL 14 -5.314 4.479 -2.532 126 HG21 VAL 14 HG21 VAL 14 -4.895 4.537 -5.007 127 HG22 VAL 14 HG22 VAL 14 -5.478 5.917 -5.950 128 HG23 VAL 14 HG23 VAL 14 -4.170 6.128 -4.783 129 H GLU 15 H GLU 15 -7.763 4.438 -6.523 130 HA GLU 15 HA GLU 15 -8.643 6.897 -7.739 131 HB2 GLU 15 HB1 GLU 15 -8.356 4.003 -8.600 132 HB3 GLU 15 HB2 GLU 15 -9.136 5.162 -9.661 133 HG2 GLU 15 HG1 GLU 15 -6.423 5.826 -8.494 134 HG3 GLU 15 HG2 GLU 15 -6.569 4.723 -9.858 135 H ASN 16 H ASN 16 -10.375 3.937 -6.593 136 HA ASN 16 HA ASN 16 -12.929 5.072 -7.590 137 HB2 ASN 16 HB1 ASN 16 -12.303 2.483 -6.140 138 HB3 ASN 16 HB2 ASN 16 -13.899 2.994 -6.648 139 HD21 ASN 16 HD22 ASN 16 -10.606 2.467 -8.013 140 HD22 ASN 16 HD21 ASN 16 -11.151 1.810 -9.531 141 H GLU 17 H GLU 17 -10.973 5.897 -5.204 142 HA GLU 17 HA GLU 17 -10.993 6.746 -3.151 143 HB2 GLU 17 HB1 GLU 17 -13.743 7.620 -4.053 144 HB3 GLU 17 HB2 GLU 17 -12.972 8.138 -2.548 145 HG2 GLU 17 HG1 GLU 17 -11.019 8.948 -3.987 146 HG3 GLU 17 HG2 GLU 17 -12.109 8.798 -5.361 147 H GLU 18 H GLU 18 -11.681 3.959 -3.359 148 HA GLU 18 HA GLU 18 -13.698 3.130 -1.545 149 HB2 GLU 18 HB1 GLU 18 -11.025 1.774 -2.100 150 HB3 GLU 18 HB2 GLU 18 -12.513 1.008 -1.551 151 HG2 GLU 18 HG1 GLU 18 -13.323 2.188 -3.916 152 HG3 GLU 18 HG2 GLU 18 -11.614 1.953 -4.225 153 H THR 19 H THR 19 -10.530 4.436 -1.114 154 HA THR 19 HA THR 19 -10.836 4.762 1.727 155 HB THR 19 HB THR 19 -10.048 2.347 1.374 156 HG1 THR 19 HG1 THR 19 -9.775 3.135 3.276 157 HG21 THR 19 HG21 THR 19 -8.544 2.776 -0.506 158 HG22 THR 19 HG22 THR 19 -7.722 1.951 0.841 159 HG23 THR 19 HG23 THR 19 -7.462 3.683 0.553 160 H THR 20 H THR 20 -8.644 5.756 2.547 161 HA THR 20 HA THR 20 -7.337 7.464 0.517 162 HB THR 20 HB THR 20 -8.459 8.438 3.188 163 HG1 THR 20 HG1 THR 20 -10.171 8.128 1.895 164 HG21 THR 20 HG21 THR 20 -6.555 9.833 2.421 165 HG22 THR 20 HG22 THR 20 -8.071 10.708 2.261 166 HG23 THR 20 HG23 THR 20 -7.334 9.997 0.820 167 H PHE 21 H PHE 21 -5.178 8.196 1.332 168 HA PHE 21 HA PHE 21 -3.635 6.238 2.535 169 HB2 PHE 21 HB1 PHE 21 -3.004 9.183 2.842 170 HB3 PHE 21 HB2 PHE 21 -1.871 7.849 2.815 171 HD1 PHE 21 HD2 PHE 21 -2.460 6.268 0.491 172 HD2 PHE 21 HD1 PHE 21 -2.691 10.550 0.977 173 HE1 PHE 21 HE2 PHE 21 -2.403 6.627 -2.036 174 HE2 PHE 21 HE1 PHE 21 -2.559 10.852 -1.472 175 HZ PHE 21 HZ PHE 21 -2.420 8.842 -2.956 176 H LYS 22 H LYS 22 -5.520 8.668 4.226 177 HA LYS 22 HA LYS 22 -4.353 8.454 6.830 178 HB2 LYS 22 HB1 LYS 22 -7.174 9.131 5.910 179 HB3 LYS 22 HB2 LYS 22 -6.588 9.314 7.573 180 HG2 LYS 22 HG1 LYS 22 -4.877 10.909 6.831 181 HG3 LYS 22 HG2 LYS 22 -5.360 10.709 5.139 182 HD2 LYS 22 HD1 LYS 22 -7.447 11.725 5.446 183 HD3 LYS 22 HD2 LYS 22 -7.411 11.546 7.204 184 HE2 LYS 22 HE1 LYS 22 -5.593 13.158 7.397 185 HE3 LYS 22 HE2 LYS 22 -5.488 13.305 5.626 186 HZ1 LYS 22 HZ1 LYS 22 -6.785 15.075 6.777 187 HZ2 LYS 22 HZ2 LYS 22 -7.966 13.967 7.103 188 HZ3 LYS 22 HZ3 LYS 22 -7.540 14.299 5.554 189 H GLN 23 H GLN 23 -7.233 6.846 5.410 190 HA GLN 23 HA GLN 23 -7.657 5.223 7.691 191 HB2 GLN 23 HB1 GLN 23 -9.406 5.891 6.035 192 HB3 GLN 23 HB2 GLN 23 -8.634 4.862 4.827 193 HG2 GLN 23 HG1 GLN 23 -10.584 3.755 5.882 194 HG3 GLN 23 HG2 GLN 23 -9.100 2.862 6.200 195 HE21 GLN 23 HE22 GLN 23 -8.330 2.717 8.351 196 HE22 GLN 23 HE21 GLN 23 -9.440 3.079 9.664 197 H ILE 24 H ILE 24 -5.944 4.642 4.566 198 HA ILE 24 HA ILE 24 -5.394 1.892 5.028 199 HB ILE 24 HB ILE 24 -3.648 3.916 3.580 200 HG12 ILE 24 HG11 ILE 24 -5.686 2.101 2.248 201 HG13 ILE 24 HG12 ILE 24 -6.060 3.747 2.699 202 HG21 ILE 24 HG21 ILE 24 -2.754 1.935 2.353 203 HG22 ILE 24 HG22 ILE 24 -2.501 1.737 4.078 204 HG23 ILE 24 HG23 ILE 24 -3.829 0.872 3.282 205 HD11 ILE 24 HD11 ILE 24 -5.350 3.846 0.405 206 HD12 ILE 24 HD12 ILE 24 -4.027 4.512 1.349 207 HD13 ILE 24 HD13 ILE 24 -3.934 2.848 0.743 208 H ALA 25 H ALA 25 -3.534 4.880 5.930 209 HA ALA 25 HA ALA 25 -1.276 3.666 7.078 210 HB1 ALA 25 HB1 ALA 25 -1.295 6.016 6.695 211 HB2 ALA 25 HB2 ALA 25 -2.782 6.256 7.645 212 HB3 ALA 25 HB3 ALA 25 -1.288 5.856 8.464 213 H LEU 26 H LEU 26 -4.327 4.739 8.665 214 HA LEU 26 HA LEU 26 -3.703 3.951 11.273 215 HB2 LEU 26 HB1 LEU 26 -5.629 5.363 10.589 216 HB3 LEU 26 HB2 LEU 26 -6.412 3.956 9.877 217 HG LEU 26 HG LEU 26 -6.589 2.877 12.121 218 HD11 LEU 26 HD11 LEU 26 -4.693 3.831 13.310 219 HD12 LEU 26 HD12 LEU 26 -6.168 4.317 14.141 220 HD13 LEU 26 HD13 LEU 26 -5.319 5.480 13.105 221 HD21 LEU 26 HD21 LEU 26 -8.261 4.510 13.037 222 HD22 LEU 26 HD22 LEU 26 -8.451 4.138 11.323 223 HD23 LEU 26 HD23 LEU 26 -7.703 5.685 11.829 224 H GLU 27 H GLU 27 -5.105 1.990 8.674 225 HA GLU 27 HA GLU 27 -5.530 -0.308 10.452 226 HB2 GLU 27 HB1 GLU 27 -5.831 0.100 7.481 227 HB3 GLU 27 HB2 GLU 27 -6.332 -1.372 8.327 228 HG2 GLU 27 HG1 GLU 27 -7.435 1.366 9.020 229 HG3 GLU 27 HG2 GLU 27 -8.177 0.336 7.802 230 H SER 28 H SER 28 -3.168 0.586 7.885 231 HA SER 28 HA SER 28 -1.896 -2.037 7.839 232 HB2 SER 28 HB1 SER 28 -0.184 -0.901 6.456 233 HB3 SER 28 HB2 SER 28 -1.815 -0.572 5.855 234 HG SER 28 HG SER 28 -1.787 1.415 6.695 235 H GLY 29 H GLY 29 -1.377 1.070 9.404 236 HA2 GLY 29 HA1 GLY 29 -0.383 1.360 11.520 237 HA3 GLY 29 HA2 GLY 29 0.661 -0.047 11.234 238 H LEU 30 H LEU 30 0.640 1.549 8.305 239 HA LEU 30 HA LEU 30 3.310 2.716 8.791 240 HB2 LEU 30 HB1 LEU 30 1.557 2.590 6.304 241 HB3 LEU 30 HB2 LEU 30 3.225 3.130 6.304 242 HG LEU 30 HG LEU 30 2.465 0.308 7.162 243 HD11 LEU 30 HD11 LEU 30 3.069 1.413 4.395 244 HD12 LEU 30 HD12 LEU 30 1.626 0.550 4.947 245 HD13 LEU 30 HD13 LEU 30 3.163 -0.310 4.818 246 HD21 LEU 30 HD21 LEU 30 4.719 1.105 7.842 247 HD22 LEU 30 HD22 LEU 30 5.084 1.546 6.160 248 HD23 LEU 30 HD23 LEU 30 4.834 -0.153 6.617 249 H SER 31 H SER 31 3.793 4.825 7.830 250 HA SER 31 HA SER 31 2.013 6.927 8.746 251 HB2 SER 31 HB1 SER 31 4.359 7.280 8.964 252 HB3 SER 31 HB2 SER 31 4.682 6.763 7.313 253 HG SER 31 HG SER 31 4.130 9.222 8.278 254 H THR 32 H THR 32 0.764 8.348 7.446 255 HA THR 32 HA THR 32 -0.386 7.397 5.073 256 HB THR 32 HB THR 32 -1.332 9.654 4.869 257 HG1 THR 32 HG1 THR 32 -0.690 11.303 6.203 258 HG21 THR 32 HG21 THR 32 -2.404 9.922 7.031 259 HG22 THR 32 HG22 THR 32 -1.164 8.930 7.828 260 HG23 THR 32 HG23 THR 32 -2.258 8.203 6.633 261 H GLY 33 H GLY 33 2.304 9.665 5.557 262 HA2 GLY 33 HA1 GLY 33 2.698 10.351 2.823 263 HA3 GLY 33 HA2 GLY 33 3.856 10.540 4.149 264 H THR 34 H THR 34 4.016 7.718 4.879 265 HA THR 34 HA THR 34 6.030 6.885 3.038 266 HB THR 34 HB THR 34 4.554 5.499 5.309 267 HG1 THR 34 HG1 THR 34 6.690 7.203 5.069 268 HG21 THR 34 HG21 THR 34 5.312 3.719 3.876 269 HG22 THR 34 HG22 THR 34 6.379 3.814 5.276 270 HG23 THR 34 HG23 THR 34 6.910 4.450 3.700 271 H ILE 35 H ILE 35 2.573 5.631 3.533 272 HA ILE 35 HA ILE 35 2.723 3.778 1.429 273 HB ILE 35 HB ILE 35 0.287 5.449 2.136 274 HG12 ILE 35 HG11 ILE 35 0.864 2.823 3.503 275 HG13 ILE 35 HG12 ILE 35 1.493 4.289 4.214 276 HG21 ILE 35 HG21 ILE 35 0.168 2.477 1.507 277 HG22 ILE 35 HG22 ILE 35 -1.031 3.751 1.235 278 HG23 ILE 35 HG23 ILE 35 0.401 3.576 0.187 279 HD11 ILE 35 HD11 ILE 35 -1.430 3.920 3.519 280 HD12 ILE 35 HD12 ILE 35 -0.707 3.550 5.089 281 HD13 ILE 35 HD13 ILE 35 -0.701 5.222 4.474 282 H SER 36 H SER 36 1.651 7.233 1.297 283 HA SER 36 HA SER 36 1.139 7.303 -1.463 284 HB2 SER 36 HB1 SER 36 0.688 8.986 0.538 285 HB3 SER 36 HB2 SER 36 2.255 9.673 0.119 286 HG SER 36 HG SER 36 1.355 10.004 -2.033 287 H SER 37 H SER 37 4.362 7.851 0.237 288 HA SER 37 HA SER 37 5.698 8.703 -2.107 289 HB2 SER 37 HB1 SER 37 6.246 7.907 0.716 290 HB3 SER 37 HB2 SER 37 7.489 7.500 -0.407 291 HG SER 37 HG SER 37 6.372 10.122 -0.140 292 H PHE 38 H PHE 38 5.077 5.512 -0.558 293 HA PHE 38 HA PHE 38 6.761 3.951 -2.183 294 HB2 PHE 38 HB1 PHE 38 5.907 3.180 -0.104 295 HB3 PHE 38 HB2 PHE 38 4.248 3.363 -0.590 296 HD1 PHE 38 HD1 PHE 38 7.287 1.303 -1.050 297 HD2 PHE 38 HD2 PHE 38 3.039 1.668 -1.729 298 HE1 PHE 38 HE1 PHE 38 7.157 -1.114 -1.635 299 HE2 PHE 38 HE2 PHE 38 2.937 -0.717 -2.394 300 HZ PHE 38 HZ PHE 38 4.979 -2.107 -2.367 301 H ILE 39 H ILE 39 3.184 4.626 -2.663 302 HA ILE 39 HA ILE 39 3.040 3.272 -5.134 303 HB ILE 39 HB ILE 39 1.401 5.722 -4.303 304 HG12 ILE 39 HG11 ILE 39 0.902 2.737 -4.008 305 HG13 ILE 39 HG12 ILE 39 1.106 3.909 -2.721 306 HG21 ILE 39 HG21 ILE 39 1.328 5.269 -6.798 307 HG22 ILE 39 HG22 ILE 39 0.791 3.610 -6.425 308 HG23 ILE 39 HG23 ILE 39 -0.204 5.035 -6.022 309 HD11 ILE 39 HD11 ILE 39 -1.023 5.054 -3.631 310 HD12 ILE 39 HD12 ILE 39 -1.248 3.589 -4.619 311 HD13 ILE 39 HD13 ILE 39 -1.190 3.456 -2.872 312 H ASN 40 H ASN 40 3.888 6.731 -4.548 313 HA ASN 40 HA ASN 40 4.260 7.211 -7.413 314 HB2 ASN 40 HB1 ASN 40 4.265 8.899 -4.993 315 HB3 ASN 40 HB2 ASN 40 5.491 9.322 -6.127 316 HD21 ASN 40 HD22 ASN 40 5.054 10.271 -8.144 317 HD22 ASN 40 HD21 ASN 40 3.421 10.680 -8.588 318 H ASP 41 H ASP 41 6.115 5.393 -5.374 319 HA ASP 41 HA ASP 41 8.206 4.734 -5.249 320 HB2 ASP 41 HB1 ASP 41 7.668 4.075 -7.570 321 HB3 ASP 41 HB2 ASP 41 8.442 5.561 -8.127 322 H LYS 42 H LYS 42 7.730 7.282 -4.327 323 HA LYS 42 HA LYS 42 10.219 8.893 -4.802 324 HB2 LYS 42 HB1 LYS 42 7.596 9.488 -3.383 325 HB3 LYS 42 HB2 LYS 42 8.992 10.570 -3.391 326 HG2 LYS 42 HG1 LYS 42 8.885 10.727 -5.866 327 HG3 LYS 42 HG2 LYS 42 7.456 9.709 -5.857 328 HD2 LYS 42 HD1 LYS 42 6.454 11.383 -4.153 329 HD3 LYS 42 HD2 LYS 42 7.898 12.355 -4.469 330 HE2 LYS 42 HE1 LYS 42 7.127 12.185 -6.978 331 HE3 LYS 42 HE2 LYS 42 5.554 11.778 -6.278 332 HZ1 LYS 42 HZ1 LYS 42 5.566 14.119 -6.486 333 HZ2 LYS 42 HZ2 LYS 42 7.107 14.261 -6.027 334 HZ3 LYS 42 HZ3 LYS 42 5.953 13.913 -4.905 335 H TYR 43 H TYR 43 9.198 6.368 -2.848 336 HA TYR 43 HA TYR 43 9.795 7.373 -0.244 337 HB2 TYR 43 HB1 TYR 43 8.385 5.352 -0.860 338 HB3 TYR 43 HB2 TYR 43 9.881 4.493 -1.205 339 HD1 TYR 43 HD1 TYR 43 8.513 6.749 1.541 340 HD2 TYR 43 HD2 TYR 43 10.619 3.110 0.534 341 HE1 TYR 43 HE1 TYR 43 8.920 6.327 3.924 342 HE2 TYR 43 HE2 TYR 43 10.954 2.636 2.890 343 HH TYR 43 HH TYR 43 11.188 4.006 4.972 344 H ASN 44 H ASN 44 11.560 6.605 1.127 345 HA ASN 44 HA ASN 44 14.101 7.399 0.096 346 HB2 ASN 44 HB1 ASN 44 13.708 7.803 2.388 347 HB3 ASN 44 HB2 ASN 44 13.133 6.157 2.686 348 HD21 ASN 44 HD22 ASN 44 16.259 7.927 1.748 349 HD22 ASN 44 HD21 ASN 44 17.179 6.792 2.702 350 H GLY 45 H GLY 45 13.473 4.214 1.629 351 HA2 GLY 45 HA1 GLY 45 14.130 2.550 -0.482 352 HA3 GLY 45 HA2 GLY 45 15.609 2.848 0.501 353 H ASP 46 H ASP 46 14.913 0.333 0.739 354 HA ASP 46 HA ASP 46 14.230 -1.314 2.180 355 HB2 ASP 46 HB1 ASP 46 13.682 0.809 4.289 356 HB3 ASP 46 HB2 ASP 46 13.869 -0.931 4.524 357 H ASN 47 H ASN 47 12.634 -0.136 0.267 358 HA ASN 47 HA ASN 47 9.962 0.424 0.891 359 HB2 ASN 47 HB1 ASN 47 11.171 -0.936 -1.564 360 HB3 ASN 47 HB2 ASN 47 9.483 -0.447 -1.437 361 HD21 ASN 47 HD22 ASN 47 9.345 1.325 -2.976 362 HD22 ASN 47 HD21 ASN 47 10.378 2.704 -2.816 363 H GLU 48 H GLU 48 11.715 -2.619 0.756 364 HA GLU 48 HA GLU 48 9.658 -4.491 0.582 365 HB2 GLU 48 HB1 GLU 48 12.347 -4.514 1.950 366 HB3 GLU 48 HB2 GLU 48 11.325 -5.943 1.877 367 HG2 GLU 48 HG1 GLU 48 12.106 -4.385 -0.616 368 HG3 GLU 48 HG2 GLU 48 13.115 -5.655 0.065 369 H ARG 49 H ARG 49 10.851 -2.747 3.537 370 HA ARG 49 HA ARG 49 9.189 -4.313 5.325 371 HB2 ARG 49 HB1 ARG 49 11.102 -3.088 6.151 372 HB3 ARG 49 HB2 ARG 49 10.456 -1.555 5.564 373 HG2 ARG 49 HG1 ARG 49 8.677 -1.575 7.213 374 HG3 ARG 49 HG2 ARG 49 9.088 -3.214 7.721 375 HD2 ARG 49 HD1 ARG 49 11.020 -0.860 7.933 376 HD3 ARG 49 HD2 ARG 49 9.917 -1.343 9.234 377 HE ARG 49 HE ARG 49 11.208 -3.682 8.530 378 HH11 ARG 49 HH11 ARG 49 12.470 -0.525 9.773 379 HH12 ARG 49 HH12 ARG 49 13.707 -1.315 10.677 380 HH21 ARG 49 HH21 ARG 49 12.912 -4.553 9.416 381 HH22 ARG 49 HH22 ARG 49 14.155 -3.633 10.245 382 H VAL 50 H VAL 50 8.676 -1.379 3.417 383 HA VAL 50 HA VAL 50 6.116 -0.718 4.556 384 HB VAL 50 HB VAL 50 7.373 0.105 1.897 385 HG11 VAL 50 HG11 VAL 50 4.946 0.514 1.906 386 HG12 VAL 50 HG12 VAL 50 5.097 1.354 3.464 387 HG13 VAL 50 HG13 VAL 50 5.847 2.030 2.004 388 HG21 VAL 50 HG21 VAL 50 8.810 0.780 3.755 389 HG22 VAL 50 HG22 VAL 50 7.979 2.180 3.089 390 HG23 VAL 50 HG23 VAL 50 7.410 1.469 4.615 391 H SER 51 H SER 51 7.071 -2.412 1.439 392 HA SER 51 HA SER 51 4.438 -2.991 0.653 393 HB2 SER 51 HB1 SER 51 5.533 -4.767 -0.732 394 HB3 SER 51 HB2 SER 51 6.233 -3.160 -0.911 395 HG SER 51 HG SER 51 7.479 -5.353 -0.320 396 H GLN 52 H GLN 52 6.729 -5.002 2.592 397 HA GLN 52 HA GLN 52 5.043 -7.233 2.938 398 HB2 GLN 52 HB1 GLN 52 7.152 -6.028 4.753 399 HB3 GLN 52 HB2 GLN 52 6.402 -7.594 5.049 400 HG2 GLN 52 HG1 GLN 52 7.662 -7.101 2.329 401 HG3 GLN 52 HG2 GLN 52 8.684 -7.378 3.726 402 HE21 GLN 52 HE22 GLN 52 5.993 -8.847 1.807 403 HE22 GLN 52 HE21 GLN 52 6.368 -10.452 2.236 404 H THR 53 H THR 53 5.025 -4.097 4.690 405 HA THR 53 HA THR 53 3.105 -5.063 6.673 406 HB THR 53 HB THR 53 3.785 -2.206 5.827 407 HG1 THR 53 HG1 THR 53 5.612 -3.248 6.601 408 HG21 THR 53 HG21 THR 53 2.374 -3.353 8.282 409 HG22 THR 53 HG22 THR 53 1.673 -2.275 7.060 410 HG23 THR 53 HG23 THR 53 2.938 -1.678 8.150 411 H LEU 54 H LEU 54 2.956 -3.483 3.450 412 HA LEU 54 HA LEU 54 0.149 -2.900 3.572 413 HB2 LEU 54 HB1 LEU 54 2.103 -3.150 1.245 414 HB3 LEU 54 HB2 LEU 54 0.413 -2.708 1.037 415 HG LEU 54 HG LEU 54 2.282 -1.128 2.852 416 HD11 LEU 54 HD11 LEU 54 3.311 -0.996 0.737 417 HD12 LEU 54 HD12 LEU 54 2.395 0.501 0.928 418 HD13 LEU 54 HD13 LEU 54 1.777 -0.815 -0.108 419 HD21 LEU 54 HD21 LEU 54 0.632 0.628 2.611 420 HD22 LEU 54 HD22 LEU 54 -0.131 -0.808 3.259 421 HD23 LEU 54 HD23 LEU 54 -0.369 -0.396 1.550 422 H GLN 55 H GLN 55 2.031 -5.749 2.514 423 HA GLN 55 HA GLN 55 0.001 -7.081 1.136 424 HB2 GLN 55 HB1 GLN 55 2.046 -8.432 2.957 425 HB3 GLN 55 HB2 GLN 55 1.103 -9.180 1.671 426 HG2 GLN 55 HG1 GLN 55 2.275 -7.251 0.196 427 HG3 GLN 55 HG2 GLN 55 3.430 -7.315 1.492 428 HE21 GLN 55 HE22 GLN 55 1.693 -9.779 -0.548 429 HE22 GLN 55 HE21 GLN 55 3.125 -10.738 -0.830 430 H ARG 56 H ARG 56 0.609 -7.158 4.685 431 HA ARG 56 HA ARG 56 -1.515 -8.917 5.300 432 HB2 ARG 56 HB1 ARG 56 -0.445 -6.543 6.941 433 HB3 ARG 56 HB2 ARG 56 -1.550 -7.762 7.540 434 HG2 ARG 56 HG1 ARG 56 0.364 -9.455 6.729 435 HG3 ARG 56 HG2 ARG 56 1.384 -8.012 6.837 436 HD2 ARG 56 HD1 ARG 56 1.530 -9.134 8.954 437 HD3 ARG 56 HD2 ARG 56 0.485 -7.724 9.222 438 HE ARG 56 HE ARG 56 -0.923 -10.160 8.423 439 HH11 ARG 56 HH11 ARG 56 -0.069 -8.219 11.232 440 HH12 ARG 56 HH12 ARG 56 -0.956 -9.204 12.354 441 HH21 ARG 56 HH21 ARG 56 -2.103 -11.366 9.765 442 HH22 ARG 56 HH22 ARG 56 -1.989 -11.222 11.510 443 H TRP 57 H TRP 57 -1.633 -5.440 4.798 444 HA TRP 57 HA TRP 57 -4.457 -5.245 5.580 445 HB2 TRP 57 HB1 TRP 57 -2.870 -3.361 5.846 446 HB3 TRP 57 HB2 TRP 57 -2.569 -3.343 4.123 447 HD1 TRP 57 HD1 TRP 57 -5.296 -2.519 6.682 448 HE1 TRP 57 HE1 TRP 57 -7.064 -1.000 5.631 449 HE3 TRP 57 HE3 TRP 57 -3.644 -2.592 1.872 450 HZ2 TRP 57 HZ2 TRP 57 -7.628 0.171 3.033 451 HZ3 TRP 57 HZ3 TRP 57 -4.954 -1.461 0.075 452 HH2 TRP 57 HH2 TRP 57 -6.940 -0.118 0.645 453 H LEU 58 H LEU 58 -2.706 -5.163 2.439 454 HA LEU 58 HA LEU 58 -5.000 -4.982 0.824 455 HB2 LEU 58 HB1 LEU 58 -2.117 -5.538 0.454 456 HB3 LEU 58 HB2 LEU 58 -3.110 -6.376 -0.707 457 HG LEU 58 HG LEU 58 -3.491 -3.436 -0.189 458 HD11 LEU 58 HD11 LEU 58 -1.163 -3.733 -0.875 459 HD12 LEU 58 HD12 LEU 58 -2.075 -3.093 -2.256 460 HD13 LEU 58 HD13 LEU 58 -1.649 -4.810 -2.201 461 HD21 LEU 58 HD21 LEU 58 -4.482 -3.425 -2.434 462 HD22 LEU 58 HD22 LEU 58 -5.333 -4.510 -1.334 463 HD23 LEU 58 HD23 LEU 58 -4.214 -5.179 -2.557 464 H GLU 59 H GLU 59 -3.412 -7.904 2.161 465 HA GLU 59 HA GLU 59 -4.740 -9.779 0.486 466 HB2 GLU 59 HB1 GLU 59 -3.467 -9.879 3.236 467 HB3 GLU 59 HB2 GLU 59 -4.248 -11.297 2.540 468 HG2 GLU 59 HG1 GLU 59 -2.795 -11.426 0.697 469 HG3 GLU 59 HG2 GLU 59 -2.247 -9.763 0.870 470 H LYS 60 H LYS 60 -5.656 -8.452 3.703 471 HA LYS 60 HA LYS 60 -8.100 -10.002 3.710 472 HB2 LYS 60 HB1 LYS 60 -8.765 -8.715 5.669 473 HB3 LYS 60 HB2 LYS 60 -7.109 -9.330 5.805 474 HG2 LYS 60 HG1 LYS 60 -6.168 -7.206 5.369 475 HG3 LYS 60 HG2 LYS 60 -7.750 -6.471 5.054 476 HD2 LYS 60 HD1 LYS 60 -8.406 -6.587 7.309 477 HD3 LYS 60 HD2 LYS 60 -7.254 -7.865 7.709 478 HE2 LYS 60 HE1 LYS 60 -6.322 -5.148 6.763 479 HE3 LYS 60 HE2 LYS 60 -6.735 -5.434 8.472 480 HZ1 LYS 60 HZ1 LYS 60 -4.722 -7.036 6.996 481 HZ2 LYS 60 HZ2 LYS 60 -5.100 -7.174 8.580 482 HZ3 LYS 60 HZ3 LYS 60 -4.378 -5.806 8.063 483 H TYR 61 H TYR 61 -7.186 -6.883 2.432 484 HA TYR 61 HA TYR 61 -9.818 -5.837 2.131 485 HB2 TYR 61 HB1 TYR 61 -7.147 -4.964 1.623 486 HB3 TYR 61 HB2 TYR 61 -7.962 -4.867 0.107 487 HD1 TYR 61 HD2 TYR 61 -7.997 -3.778 3.650 488 HD2 TYR 61 HD1 TYR 61 -9.836 -3.306 -0.215 489 HE1 TYR 61 HE2 TYR 61 -9.147 -1.758 4.453 490 HE2 TYR 61 HE1 TYR 61 -10.995 -1.262 0.573 491 HH TYR 61 HH TYR 61 -11.581 -0.082 2.520 492 H HIS 62 H HIS 62 -7.555 -7.265 -0.286 493 HA HIS 62 HA HIS 62 -9.649 -7.565 -2.279 494 HB2 HIS 62 HB1 HIS 62 -6.695 -7.900 -2.134 495 HB3 HIS 62 HB2 HIS 62 -7.487 -8.985 -3.240 496 HD1 HIS 62 HD1 HIS 62 -9.075 -7.802 -5.194 497 HD2 HIS 62 HD2 HIS 62 -6.471 -5.382 -2.953 498 HE1 HIS 62 HE1 HIS 62 -8.685 -5.705 -6.578 499 H ALA 63 H ALA 63 -9.225 -9.501 0.431 500 HA ALA 63 HA ALA 63 -10.632 -11.693 -0.841 501 HB1 ALA 63 HB1 ALA 63 -9.074 -13.428 -0.075 502 HB2 ALA 63 HB2 ALA 63 -8.212 -12.326 -1.173 503 HB3 ALA 63 HB3 ALA 63 -7.973 -12.224 0.578 Start of MODEL 14 1 H1 GLY -1 H GLY -1 1.790 -17.623 -8.219 2 HA2 GLY -1 HA1 GLY -1 3.397 -17.545 -6.392 3 HA3 GLY -1 HA2 GLY -1 3.961 -16.577 -7.760 4 HA PRO 0 HA PRO 0 3.889 -13.891 -3.946 5 HB2 PRO 0 HB1 PRO 0 6.510 -13.114 -3.945 6 HB3 PRO 0 HB2 PRO 0 5.964 -14.659 -3.236 7 HG2 PRO 0 HG1 PRO 0 7.237 -14.204 -5.933 8 HG3 PRO 0 HG2 PRO 0 7.571 -15.494 -4.741 9 HD2 PRO 0 HD1 PRO 0 5.907 -15.816 -6.930 10 HD3 PRO 0 HD2 PRO 0 5.704 -16.725 -5.401 11 H MET 1 H MET 1 3.129 -11.846 -4.329 12 HA MET 1 HA MET 1 3.451 -10.648 -6.960 13 HB2 MET 1 HB1 MET 1 2.085 -8.829 -6.112 14 HB3 MET 1 HB2 MET 1 1.362 -10.408 -5.753 15 HG2 MET 1 HG1 MET 1 2.550 -10.166 -3.441 16 HG3 MET 1 HG2 MET 1 2.726 -8.483 -3.864 17 HE1 MET 1 HE1 MET 1 -0.228 -8.277 -5.584 18 HE2 MET 1 HE2 MET 1 -1.145 -7.487 -4.290 19 HE3 MET 1 HE3 MET 1 0.525 -6.985 -4.624 20 H ASN 2 H ASN 2 4.580 -8.762 -7.494 21 HA ASN 2 HA ASN 2 6.955 -8.187 -5.813 22 HB2 ASN 2 HB1 ASN 2 6.221 -7.528 -8.704 23 HB3 ASN 2 HB2 ASN 2 7.658 -6.920 -7.908 24 HD21 ASN 2 HD22 ASN 2 6.135 -10.213 -8.144 25 HD22 ASN 2 HD21 ASN 2 7.665 -11.033 -8.381 26 H ILE 3 H ILE 3 7.702 -5.898 -5.759 27 HA ILE 3 HA ILE 3 6.142 -4.137 -4.363 28 HB ILE 3 HB ILE 3 8.346 -3.505 -6.347 29 HG12 ILE 3 HG11 ILE 3 9.253 -5.115 -4.856 30 HG13 ILE 3 HG12 ILE 3 9.886 -3.538 -4.395 31 HG21 ILE 3 HG21 ILE 3 8.927 -1.523 -5.153 32 HG22 ILE 3 HG22 ILE 3 7.236 -1.407 -5.631 33 HG23 ILE 3 HG23 ILE 3 7.669 -1.790 -3.957 34 HD11 ILE 3 HD11 ILE 3 7.702 -5.055 -2.936 35 HD12 ILE 3 HD12 ILE 3 9.384 -4.835 -2.423 36 HD13 ILE 3 HD13 ILE 3 8.314 -3.431 -2.510 37 H SER 4 H SER 4 6.579 -4.114 -7.936 38 HA SER 4 HA SER 4 5.019 -1.795 -8.351 39 HB2 SER 4 HB1 SER 4 5.031 -2.534 -10.701 40 HB3 SER 4 HB2 SER 4 6.614 -2.375 -9.945 41 HG SER 4 HG SER 4 6.866 -4.534 -9.877 42 H ASP 5 H ASP 5 3.963 -5.212 -8.000 43 HA ASP 5 HA ASP 5 1.300 -4.717 -9.044 44 HB2 ASP 5 HB1 ASP 5 2.595 -6.880 -9.116 45 HB3 ASP 5 HB2 ASP 5 2.439 -6.986 -7.367 46 H ILE 6 H ILE 6 2.936 -4.972 -5.917 47 HA ILE 6 HA ILE 6 0.744 -4.781 -4.138 48 HB ILE 6 HB ILE 6 3.662 -3.942 -3.892 49 HG12 ILE 6 HG11 ILE 6 2.193 -6.359 -2.760 50 HG13 ILE 6 HG12 ILE 6 3.040 -6.375 -4.288 51 HG21 ILE 6 HG21 ILE 6 2.391 -2.667 -2.203 52 HG22 ILE 6 HG22 ILE 6 1.647 -4.169 -1.624 53 HG23 ILE 6 HG23 ILE 6 3.391 -3.902 -1.447 54 HD11 ILE 6 HD11 ILE 6 5.159 -5.730 -3.081 55 HD12 ILE 6 HD12 ILE 6 4.277 -6.014 -1.556 56 HD13 ILE 6 HD13 ILE 6 4.510 -7.333 -2.716 57 H ARG 7 H ARG 7 2.872 -2.142 -5.406 58 HA ARG 7 HA ARG 7 1.304 -0.064 -4.215 59 HB2 ARG 7 HB1 ARG 7 2.413 1.506 -5.671 60 HB3 ARG 7 HB2 ARG 7 3.619 0.330 -5.128 61 HG2 ARG 7 HG1 ARG 7 3.373 -0.859 -7.269 62 HG3 ARG 7 HG2 ARG 7 2.193 0.343 -7.821 63 HD2 ARG 7 HD1 ARG 7 4.109 2.049 -7.462 64 HD3 ARG 7 HD2 ARG 7 5.151 0.605 -7.547 65 HE ARG 7 HE ARG 7 3.596 0.193 -9.689 66 HH11 ARG 7 HH11 ARG 7 5.562 3.051 -8.749 67 HH12 ARG 7 HH12 ARG 7 5.518 3.705 -10.331 68 HH21 ARG 7 HH21 ARG 7 3.481 1.188 -11.760 69 HH22 ARG 7 HH22 ARG 7 4.270 2.684 -12.057 70 H ALA 8 H ALA 8 0.961 -1.741 -7.361 71 HA ALA 8 HA ALA 8 -0.970 -0.032 -8.482 72 HB1 ALA 8 HB1 ALA 8 -1.389 -1.878 -10.013 73 HB2 ALA 8 HB2 ALA 8 0.338 -1.587 -9.789 74 HB3 ALA 8 HB3 ALA 8 -0.438 -2.970 -9.004 75 H GLY 9 H GLY 9 -1.361 -2.829 -6.260 76 HA2 GLY 9 HA1 GLY 9 -4.169 -3.105 -6.526 77 HA3 GLY 9 HA2 GLY 9 -3.223 -3.540 -5.088 78 H LEU 10 H LEU 10 -2.204 -1.086 -4.335 79 HA LEU 10 HA LEU 10 -4.349 0.082 -2.898 80 HB2 LEU 10 HB1 LEU 10 -1.785 1.518 -3.632 81 HB3 LEU 10 HB2 LEU 10 -2.805 1.835 -2.237 82 HG LEU 10 HG LEU 10 -1.091 -0.648 -2.631 83 HD11 LEU 10 HD11 LEU 10 -0.826 1.774 -0.819 84 HD12 LEU 10 HD12 LEU 10 0.223 1.362 -2.203 85 HD13 LEU 10 HD13 LEU 10 0.200 0.335 -0.763 86 HD21 LEU 10 HD21 LEU 10 -2.746 0.225 -0.215 87 HD22 LEU 10 HD22 LEU 10 -1.699 -1.217 -0.329 88 HD23 LEU 10 HD23 LEU 10 -3.147 -1.102 -1.321 89 H ARG 11 H ARG 11 -3.010 0.923 -6.036 90 HA ARG 11 HA ARG 11 -4.150 3.546 -6.227 91 HB2 ARG 11 HB1 ARG 11 -3.792 1.631 -8.572 92 HB3 ARG 11 HB2 ARG 11 -3.931 3.388 -8.604 93 HG2 ARG 11 HG1 ARG 11 -1.778 3.442 -7.182 94 HG3 ARG 11 HG2 ARG 11 -1.688 1.715 -7.483 95 HD2 ARG 11 HD1 ARG 11 -0.497 2.135 -9.307 96 HD3 ARG 11 HD2 ARG 11 -1.968 2.719 -10.061 97 HE ARG 11 HE ARG 11 0.322 4.229 -9.142 98 HH11 ARG 11 HH11 ARG 11 -3.095 4.575 -10.060 99 HH12 ARG 11 HH12 ARG 11 -3.151 6.275 -9.798 100 HH21 ARG 11 HH21 ARG 11 0.298 6.561 -8.903 101 HH22 ARG 11 HH22 ARG 11 -1.193 7.400 -9.009 102 H THR 12 H THR 12 -5.430 0.317 -7.186 103 HA THR 12 HA THR 12 -7.868 1.158 -8.238 104 HB THR 12 HB THR 12 -7.281 -1.330 -6.578 105 HG1 THR 12 HG1 THR 12 -6.564 -2.186 -8.378 106 HG21 THR 12 HG21 THR 12 -9.487 -0.786 -8.602 107 HG22 THR 12 HG22 THR 12 -9.679 -1.186 -6.888 108 HG23 THR 12 HG23 THR 12 -9.057 -2.400 -8.001 109 H LEU 13 H LEU 13 -7.101 0.531 -4.803 110 HA LEU 13 HA LEU 13 -9.715 0.869 -3.742 111 HB2 LEU 13 HB1 LEU 13 -6.898 1.039 -2.684 112 HB3 LEU 13 HB2 LEU 13 -8.182 1.686 -1.710 113 HG LEU 13 HG LEU 13 -7.602 -0.618 -1.109 114 HD11 LEU 13 HD11 LEU 13 -9.914 0.115 -0.651 115 HD12 LEU 13 HD12 LEU 13 -9.827 -1.607 -1.032 116 HD13 LEU 13 HD13 LEU 13 -10.421 -0.507 -2.246 117 HD21 LEU 13 HD21 LEU 13 -7.000 -1.453 -3.365 118 HD22 LEU 13 HD22 LEU 13 -8.744 -1.486 -3.773 119 HD23 LEU 13 HD23 LEU 13 -8.106 -2.511 -2.479 120 H VAL 14 H VAL 14 -7.064 3.281 -3.987 121 HA VAL 14 HA VAL 14 -8.827 5.392 -3.070 122 HB VAL 14 HB VAL 14 -7.088 6.987 -3.582 123 HG11 VAL 14 HG11 VAL 14 -7.003 5.653 -1.507 124 HG12 VAL 14 HG12 VAL 14 -5.974 4.455 -2.301 125 HG13 VAL 14 HG13 VAL 14 -5.391 6.119 -2.050 126 HG21 VAL 14 HG21 VAL 14 -5.505 4.705 -4.824 127 HG22 VAL 14 HG22 VAL 14 -6.166 6.101 -5.691 128 HG23 VAL 14 HG23 VAL 14 -4.903 6.346 -4.492 129 H GLU 15 H GLU 15 -7.959 4.263 -6.334 130 HA GLU 15 HA GLU 15 -8.998 6.395 -7.868 131 HB2 GLU 15 HB1 GLU 15 -8.687 3.408 -8.321 132 HB3 GLU 15 HB2 GLU 15 -9.314 4.452 -9.579 133 HG2 GLU 15 HG1 GLU 15 -6.712 5.345 -8.379 134 HG3 GLU 15 HG2 GLU 15 -6.670 3.792 -9.210 135 H ASN 16 H ASN 16 -10.630 3.811 -6.141 136 HA ASN 16 HA ASN 16 -13.258 4.515 -7.374 137 HB2 ASN 16 HB1 ASN 16 -12.324 2.001 -5.952 138 HB3 ASN 16 HB2 ASN 16 -14.004 2.341 -6.377 139 HD21 ASN 16 HD22 ASN 16 -10.930 1.308 -7.631 140 HD22 ASN 16 HD21 ASN 16 -11.445 1.035 -9.293 141 H GLU 17 H GLU 17 -11.484 5.666 -4.977 142 HA GLU 17 HA GLU 17 -11.802 6.759 -3.054 143 HB2 GLU 17 HB1 GLU 17 -14.655 6.861 -4.077 144 HB3 GLU 17 HB2 GLU 17 -14.078 7.810 -2.708 145 HG2 GLU 17 HG1 GLU 17 -12.680 9.145 -4.019 146 HG3 GLU 17 HG2 GLU 17 -12.625 7.996 -5.360 147 H GLU 18 H GLU 18 -12.216 3.762 -3.133 148 HA GLU 18 HA GLU 18 -14.006 2.720 -1.281 149 HB2 GLU 18 HB1 GLU 18 -11.131 1.957 -1.978 150 HB3 GLU 18 HB2 GLU 18 -12.122 0.969 -0.973 151 HG2 GLU 18 HG1 GLU 18 -13.216 1.812 -3.668 152 HG3 GLU 18 HG2 GLU 18 -11.946 0.602 -3.595 153 H THR 19 H THR 19 -10.737 4.073 -0.658 154 HA THR 19 HA THR 19 -11.362 4.438 2.160 155 HB THR 19 HB THR 19 -10.729 2.045 1.955 156 HG1 THR 19 HG1 THR 19 -9.544 2.004 3.615 157 HG21 THR 19 HG21 THR 19 -9.248 2.195 0.008 158 HG22 THR 19 HG22 THR 19 -8.486 1.338 1.360 159 HG23 THR 19 HG23 THR 19 -8.025 3.020 0.977 160 H THR 20 H THR 20 -9.996 6.110 3.004 161 HA THR 20 HA THR 20 -8.740 7.741 0.980 162 HB THR 20 HB THR 20 -8.371 9.145 3.167 163 HG1 THR 20 HG1 THR 20 -9.661 8.515 4.897 164 HG21 THR 20 HG21 THR 20 -10.715 9.909 3.102 165 HG22 THR 20 HG22 THR 20 -11.166 8.443 2.191 166 HG23 THR 20 HG23 THR 20 -10.060 9.629 1.474 167 H PHE 21 H PHE 21 -6.592 8.558 1.180 168 HA PHE 21 HA PHE 21 -4.549 6.659 1.507 169 HB2 PHE 21 HB1 PHE 21 -4.729 9.649 1.258 170 HB3 PHE 21 HB2 PHE 21 -3.234 9.013 1.870 171 HD1 PHE 21 HD2 PHE 21 -2.033 7.132 0.467 172 HD2 PHE 21 HD1 PHE 21 -5.086 9.738 -1.110 173 HE1 PHE 21 HE2 PHE 21 -1.420 6.494 -1.830 174 HE2 PHE 21 HE1 PHE 21 -4.482 9.065 -3.402 175 HZ PHE 21 HZ PHE 21 -2.627 7.441 -3.772 176 H LYS 22 H LYS 22 -6.049 8.751 3.851 177 HA LYS 22 HA LYS 22 -4.185 8.420 6.035 178 HB2 LYS 22 HB1 LYS 22 -5.760 10.356 5.795 179 HB3 LYS 22 HB2 LYS 22 -7.118 9.249 5.914 180 HG2 LYS 22 HG1 LYS 22 -6.841 10.301 8.040 181 HG3 LYS 22 HG2 LYS 22 -6.370 8.632 8.246 182 HD2 LYS 22 HD1 LYS 22 -4.216 9.162 8.760 183 HD3 LYS 22 HD2 LYS 22 -4.072 10.318 7.445 184 HE2 LYS 22 HE1 LYS 22 -5.367 10.872 10.120 185 HE3 LYS 22 HE2 LYS 22 -3.776 11.431 9.599 186 HZ1 LYS 22 HZ1 LYS 22 -6.330 12.152 8.301 187 HZ2 LYS 22 HZ2 LYS 22 -4.829 12.703 7.862 188 HZ3 LYS 22 HZ3 LYS 22 -5.503 13.118 9.314 189 H GLN 23 H GLN 23 -7.377 6.915 5.186 190 HA GLN 23 HA GLN 23 -7.515 5.259 7.463 191 HB2 GLN 23 HB1 GLN 23 -9.411 5.783 5.973 192 HB3 GLN 23 HB2 GLN 23 -8.638 4.917 4.653 193 HG2 GLN 23 HG1 GLN 23 -10.421 3.590 5.653 194 HG3 GLN 23 HG2 GLN 23 -8.859 2.799 5.877 195 HE21 GLN 23 HE22 GLN 23 -9.799 1.555 7.555 196 HE22 GLN 23 HE21 GLN 23 -10.023 2.216 9.167 197 H ILE 24 H ILE 24 -6.078 4.695 4.215 198 HA ILE 24 HA ILE 24 -5.236 2.039 4.636 199 HB ILE 24 HB ILE 24 -3.812 4.218 3.044 200 HG12 ILE 24 HG11 ILE 24 -5.796 2.134 2.039 201 HG13 ILE 24 HG12 ILE 24 -6.212 3.793 2.360 202 HG21 ILE 24 HG21 ILE 24 -2.375 2.191 3.494 203 HG22 ILE 24 HG22 ILE 24 -3.620 1.178 2.755 204 HG23 ILE 24 HG23 ILE 24 -2.742 2.382 1.788 205 HD11 ILE 24 HD11 ILE 24 -4.503 4.521 0.650 206 HD12 ILE 24 HD12 ILE 24 -4.301 2.806 0.219 207 HD13 ILE 24 HD13 ILE 24 -5.868 3.588 0.014 208 H ALA 25 H ALA 25 -3.594 5.125 5.577 209 HA ALA 25 HA ALA 25 -1.214 3.902 6.582 210 HB1 ALA 25 HB1 ALA 25 -2.511 6.537 7.444 211 HB2 ALA 25 HB2 ALA 25 -0.820 6.086 7.606 212 HB3 ALA 25 HB3 ALA 25 -1.508 6.345 5.993 213 H LEU 26 H LEU 26 -4.189 4.930 8.258 214 HA LEU 26 HA LEU 26 -3.333 4.218 10.870 215 HB2 LEU 26 HB1 LEU 26 -5.493 5.490 10.032 216 HB3 LEU 26 HB2 LEU 26 -6.213 3.901 9.966 217 HG LEU 26 HG LEU 26 -6.854 4.797 11.999 218 HD11 LEU 26 HD11 LEU 26 -4.510 3.160 12.966 219 HD12 LEU 26 HD12 LEU 26 -6.032 2.490 12.306 220 HD13 LEU 26 HD13 LEU 26 -6.046 3.471 13.779 221 HD21 LEU 26 HD21 LEU 26 -5.262 6.682 12.120 222 HD22 LEU 26 HD22 LEU 26 -3.953 5.581 12.591 223 HD23 LEU 26 HD23 LEU 26 -5.339 5.846 13.670 224 H GLU 27 H GLU 27 -5.127 2.313 8.415 225 HA GLU 27 HA GLU 27 -5.299 0.004 10.082 226 HB2 GLU 27 HB1 GLU 27 -5.620 0.397 7.095 227 HB3 GLU 27 HB2 GLU 27 -5.917 -1.147 7.930 228 HG2 GLU 27 HG1 GLU 27 -7.493 0.370 9.460 229 HG3 GLU 27 HG2 GLU 27 -7.457 1.431 8.060 230 H SER 28 H SER 28 -2.933 0.876 7.462 231 HA SER 28 HA SER 28 -1.636 -1.722 7.612 232 HB2 SER 28 HB1 SER 28 0.022 -0.708 6.112 233 HB3 SER 28 HB2 SER 28 -1.621 -0.388 5.537 234 HG SER 28 HG SER 28 -1.518 1.648 6.191 235 H GLY 29 H GLY 29 -1.343 1.316 9.344 236 HA2 GLY 29 HA1 GLY 29 -0.236 1.709 11.284 237 HA3 GLY 29 HA2 GLY 29 0.711 0.219 11.141 238 H LEU 30 H LEU 30 0.768 1.784 8.179 239 HA LEU 30 HA LEU 30 3.532 2.763 8.569 240 HB2 LEU 30 HB1 LEU 30 1.784 2.719 6.082 241 HB3 LEU 30 HB2 LEU 30 3.518 2.956 6.126 242 HG LEU 30 HG LEU 30 2.146 0.339 6.953 243 HD11 LEU 30 HD11 LEU 30 1.844 0.849 4.565 244 HD12 LEU 30 HD12 LEU 30 2.922 -0.538 4.816 245 HD13 LEU 30 HD13 LEU 30 3.614 1.053 4.424 246 HD21 LEU 30 HD21 LEU 30 4.301 0.581 8.039 247 HD22 LEU 30 HD22 LEU 30 5.069 1.110 6.522 248 HD23 LEU 30 HD23 LEU 30 4.497 -0.557 6.709 249 H SER 31 H SER 31 3.964 5.053 7.543 250 HA SER 31 HA SER 31 1.907 6.826 8.616 251 HB2 SER 31 HB1 SER 31 3.422 8.544 8.343 252 HB3 SER 31 HB2 SER 31 4.405 7.216 8.898 253 HG SER 31 HG SER 31 5.082 6.929 6.685 254 H THR 32 H THR 32 1.081 8.666 7.254 255 HA THR 32 HA THR 32 -0.139 7.771 4.846 256 HB THR 32 HB THR 32 -0.405 10.399 4.640 257 HG1 THR 32 HG1 THR 32 -0.316 11.092 6.992 258 HG21 THR 32 HG21 THR 32 -2.148 8.793 5.345 259 HG22 THR 32 HG22 THR 32 -2.233 10.329 6.225 260 HG23 THR 32 HG23 THR 32 -1.549 8.884 7.018 261 H GLY 33 H GLY 33 2.706 9.827 5.501 262 HA2 GLY 33 HA1 GLY 33 3.496 10.486 2.911 263 HA3 GLY 33 HA2 GLY 33 4.606 10.263 4.270 264 H THR 34 H THR 34 4.334 7.533 4.815 265 HA THR 34 HA THR 34 6.107 6.382 3.046 266 HB THR 34 HB THR 34 4.034 4.802 4.623 267 HG1 THR 34 HG1 THR 34 5.897 4.776 6.154 268 HG21 THR 34 HG21 THR 34 5.802 3.114 4.669 269 HG22 THR 34 HG22 THR 34 6.900 4.217 3.790 270 HG23 THR 34 HG23 THR 34 5.462 3.576 2.999 271 H ILE 35 H ILE 35 2.561 5.741 3.142 272 HA ILE 35 HA ILE 35 2.417 4.013 0.957 273 HB ILE 35 HB ILE 35 0.400 6.017 2.014 274 HG12 ILE 35 HG11 ILE 35 0.342 3.026 2.514 275 HG13 ILE 35 HG12 ILE 35 1.417 4.016 3.491 276 HG21 ILE 35 HG21 ILE 35 -0.309 5.308 -0.231 277 HG22 ILE 35 HG22 ILE 35 -0.029 3.614 0.191 278 HG23 ILE 35 HG23 ILE 35 -1.338 4.526 0.968 279 HD11 ILE 35 HD11 ILE 35 -0.760 3.664 4.534 280 HD12 ILE 35 HD12 ILE 35 -0.366 5.383 4.297 281 HD13 ILE 35 HD13 ILE 35 -1.547 4.586 3.238 282 H SER 36 H SER 36 1.895 7.581 0.841 283 HA SER 36 HA SER 36 1.590 7.567 -1.982 284 HB2 SER 36 HB1 SER 36 2.183 10.094 -1.579 285 HB3 SER 36 HB2 SER 36 0.762 9.404 -0.804 286 HG SER 36 HG SER 36 3.239 9.649 0.549 287 H SER 37 H SER 37 4.541 7.962 0.045 288 HA SER 37 HA SER 37 6.232 8.623 -2.172 289 HB2 SER 37 HB1 SER 37 6.557 8.997 0.319 290 HB3 SER 37 HB2 SER 37 7.096 7.323 0.433 291 HG SER 37 HG SER 37 8.750 8.946 0.202 292 H PHE 38 H PHE 38 5.261 5.520 -0.662 293 HA PHE 38 HA PHE 38 7.066 3.842 -2.086 294 HB2 PHE 38 HB1 PHE 38 5.897 3.181 -0.025 295 HB3 PHE 38 HB2 PHE 38 4.345 3.272 -0.839 296 HD1 PHE 38 HD1 PHE 38 7.530 1.362 -0.582 297 HD2 PHE 38 HD2 PHE 38 3.578 1.485 -2.315 298 HE1 PHE 38 HE1 PHE 38 7.771 -0.990 -1.294 299 HE2 PHE 38 HE2 PHE 38 3.831 -0.841 -3.066 300 HZ PHE 38 HZ PHE 38 5.963 -2.107 -2.575 301 H ILE 39 H ILE 39 3.645 4.825 -2.752 302 HA ILE 39 HA ILE 39 3.457 3.339 -5.183 303 HB ILE 39 HB ILE 39 1.940 5.787 -4.206 304 HG12 ILE 39 HG11 ILE 39 1.049 2.858 -4.228 305 HG13 ILE 39 HG12 ILE 39 1.825 3.582 -2.845 306 HG21 ILE 39 HG21 ILE 39 1.682 5.598 -6.664 307 HG22 ILE 39 HG22 ILE 39 1.215 3.890 -6.494 308 HG23 ILE 39 HG23 ILE 39 0.176 5.186 -5.861 309 HD11 ILE 39 HD11 ILE 39 -0.835 4.398 -4.042 310 HD12 ILE 39 HD12 ILE 39 -0.517 3.692 -2.453 311 HD13 ILE 39 HD13 ILE 39 0.048 5.337 -2.808 312 H ASN 40 H ASN 40 4.643 6.625 -4.497 313 HA ASN 40 HA ASN 40 5.066 7.227 -7.349 314 HB2 ASN 40 HB1 ASN 40 5.821 8.697 -4.784 315 HB3 ASN 40 HB2 ASN 40 6.142 9.309 -6.403 316 HD21 ASN 40 HD22 ASN 40 4.443 10.385 -4.240 317 HD22 ASN 40 HD21 ASN 40 2.822 10.585 -4.870 318 H ASP 41 H ASP 41 6.603 5.094 -5.424 319 HA ASP 41 HA ASP 41 8.500 4.094 -5.244 320 HB2 ASP 41 HB1 ASP 41 9.422 5.489 -7.739 321 HB3 ASP 41 HB2 ASP 41 9.908 3.904 -7.145 322 H LYS 42 H LYS 42 8.328 7.255 -4.674 323 HA LYS 42 HA LYS 42 11.071 8.103 -4.538 324 HB2 LYS 42 HB1 LYS 42 8.397 9.169 -3.580 325 HB3 LYS 42 HB2 LYS 42 9.873 9.942 -3.031 326 HG2 LYS 42 HG1 LYS 42 9.375 9.508 -5.993 327 HG3 LYS 42 HG2 LYS 42 8.695 10.888 -5.137 328 HD2 LYS 42 HD1 LYS 42 10.879 11.685 -4.469 329 HD3 LYS 42 HD2 LYS 42 11.682 10.268 -5.122 330 HE2 LYS 42 HE1 LYS 42 10.020 12.131 -6.865 331 HE3 LYS 42 HE2 LYS 42 11.718 12.458 -6.501 332 HZ1 LYS 42 HZ1 LYS 42 10.731 10.008 -7.825 333 HZ2 LYS 42 HZ2 LYS 42 12.296 10.344 -7.488 334 HZ3 LYS 42 HZ3 LYS 42 11.456 11.263 -8.579 335 H TYR 43 H TYR 43 9.159 6.120 -2.440 336 HA TYR 43 HA TYR 43 10.304 6.914 0.026 337 HB2 TYR 43 HB1 TYR 43 8.244 5.530 -0.202 338 HB3 TYR 43 HB2 TYR 43 9.239 4.143 -0.595 339 HD1 TYR 43 HD1 TYR 43 8.788 6.850 2.002 340 HD2 TYR 43 HD2 TYR 43 10.098 2.807 1.219 341 HE1 TYR 43 HE1 TYR 43 9.020 6.460 4.430 342 HE2 TYR 43 HE2 TYR 43 10.313 2.409 3.653 343 HH TYR 43 HH TYR 43 9.276 3.376 5.859 344 H ASN 44 H ASN 44 12.450 7.198 -0.089 345 HA ASN 44 HA ASN 44 14.297 5.017 -0.779 346 HB2 ASN 44 HB1 ASN 44 16.003 6.750 -0.423 347 HB3 ASN 44 HB2 ASN 44 14.787 7.270 -1.584 348 HD21 ASN 44 HD22 ASN 44 16.620 8.403 0.917 349 HD22 ASN 44 HD21 ASN 44 15.581 9.691 1.474 350 H GLY 45 H GLY 45 13.225 3.715 0.927 351 HA2 GLY 45 HA1 GLY 45 14.614 3.890 3.484 352 HA3 GLY 45 HA2 GLY 45 12.843 4.062 3.566 353 H ASP 46 H ASP 46 12.764 2.064 4.695 354 HA ASP 46 HA ASP 46 13.694 -0.440 3.624 355 HB2 ASP 46 HB1 ASP 46 11.646 0.126 5.804 356 HB3 ASP 46 HB2 ASP 46 12.416 -1.431 5.469 357 H ASN 47 H ASN 47 12.683 0.138 1.481 358 HA ASN 47 HA ASN 47 9.969 0.190 0.838 359 HB2 ASN 47 HB1 ASN 47 11.792 0.714 -0.711 360 HB3 ASN 47 HB2 ASN 47 12.295 -0.975 -0.724 361 HD21 ASN 47 HD22 ASN 47 10.166 1.387 -2.212 362 HD22 ASN 47 HD21 ASN 47 9.348 0.220 -3.214 363 H GLU 48 H GLU 48 11.998 -2.751 1.278 364 HA GLU 48 HA GLU 48 9.910 -4.565 0.539 365 HB2 GLU 48 HB1 GLU 48 12.383 -5.037 0.600 366 HB3 GLU 48 HB2 GLU 48 12.281 -5.113 2.366 367 HG2 GLU 48 HG1 GLU 48 10.604 -6.983 2.127 368 HG3 GLU 48 HG2 GLU 48 10.793 -6.891 0.368 369 H ARG 49 H ARG 49 10.775 -3.096 3.674 370 HA ARG 49 HA ARG 49 9.074 -4.862 5.252 371 HB2 ARG 49 HB1 ARG 49 11.008 -3.542 6.166 372 HB3 ARG 49 HB2 ARG 49 10.087 -2.048 5.903 373 HG2 ARG 49 HG1 ARG 49 8.342 -2.807 7.430 374 HG3 ARG 49 HG2 ARG 49 9.147 -4.366 7.636 375 HD2 ARG 49 HD1 ARG 49 10.345 -1.693 8.435 376 HD3 ARG 49 HD2 ARG 49 9.480 -2.793 9.527 377 HE ARG 49 HE ARG 49 11.429 -4.377 8.389 378 HH11 ARG 49 HH11 ARG 49 11.458 -1.388 10.355 379 HH12 ARG 49 HH12 ARG 49 13.128 -1.604 10.808 380 HH21 ARG 49 HH21 ARG 49 13.541 -4.731 9.272 381 HH22 ARG 49 HH22 ARG 49 14.283 -3.426 10.161 382 H VAL 50 H VAL 50 8.751 -1.724 3.660 383 HA VAL 50 HA VAL 50 6.093 -1.126 4.543 384 HB VAL 50 HB VAL 50 7.850 -0.281 2.219 385 HG11 VAL 50 HG11 VAL 50 5.563 0.036 1.415 386 HG12 VAL 50 HG12 VAL 50 5.151 0.845 2.943 387 HG13 VAL 50 HG13 VAL 50 6.293 1.598 1.806 388 HG21 VAL 50 HG21 VAL 50 8.561 0.490 4.442 389 HG22 VAL 50 HG22 VAL 50 7.898 1.853 3.532 390 HG23 VAL 50 HG23 VAL 50 6.930 1.071 4.795 391 H SER 51 H SER 51 7.364 -2.679 1.495 392 HA SER 51 HA SER 51 4.862 -3.127 0.354 393 HB2 SER 51 HB1 SER 51 5.940 -4.651 -1.119 394 HB3 SER 51 HB2 SER 51 7.039 -3.316 -0.779 395 HG SER 51 HG SER 51 7.428 -5.951 -0.442 396 H GLN 52 H GLN 52 6.751 -5.385 2.454 397 HA GLN 52 HA GLN 52 4.807 -7.427 2.532 398 HB2 GLN 52 HB1 GLN 52 7.011 -6.534 4.407 399 HB3 GLN 52 HB2 GLN 52 5.918 -7.825 4.908 400 HG2 GLN 52 HG1 GLN 52 7.349 -7.927 2.217 401 HG3 GLN 52 HG2 GLN 52 8.084 -8.528 3.700 402 HE21 GLN 52 HE22 GLN 52 5.468 -9.194 1.307 403 HE22 GLN 52 HE21 GLN 52 4.824 -10.537 2.204 404 H THR 53 H THR 53 4.980 -4.459 4.546 405 HA THR 53 HA THR 53 2.782 -5.294 6.213 406 HB THR 53 HB THR 53 3.827 -2.499 5.602 407 HG1 THR 53 HG1 THR 53 5.464 -3.824 6.373 408 HG21 THR 53 HG21 THR 53 1.676 -2.371 6.776 409 HG22 THR 53 HG22 THR 53 2.970 -2.000 7.918 410 HG23 THR 53 HG23 THR 53 2.202 -3.598 7.948 411 H LEU 54 H LEU 54 2.960 -3.762 3.000 412 HA LEU 54 HA LEU 54 0.162 -2.970 2.953 413 HB2 LEU 54 HB1 LEU 54 2.297 -3.191 0.795 414 HB3 LEU 54 HB2 LEU 54 0.655 -2.671 0.484 415 HG LEU 54 HG LEU 54 2.545 -1.220 2.392 416 HD11 LEU 54 HD11 LEU 54 1.982 -0.896 -0.562 417 HD12 LEU 54 HD12 LEU 54 3.529 -1.028 0.270 418 HD13 LEU 54 HD13 LEU 54 2.567 0.454 0.422 419 HD21 LEU 54 HD21 LEU 54 0.293 -0.744 3.011 420 HD22 LEU 54 HD22 LEU 54 -0.215 -0.549 1.327 421 HD23 LEU 54 HD23 LEU 54 0.864 0.640 2.077 422 H GLN 55 H GLN 55 2.074 -5.821 1.965 423 HA GLN 55 HA GLN 55 0.132 -7.023 0.302 424 HB2 GLN 55 HB1 GLN 55 2.114 -8.456 2.138 425 HB3 GLN 55 HB2 GLN 55 1.178 -9.162 0.821 426 HG2 GLN 55 HG1 GLN 55 2.339 -7.214 -0.600 427 HG3 GLN 55 HG2 GLN 55 3.483 -7.242 0.717 428 HE21 GLN 55 HE22 GLN 55 1.881 -10.120 -0.730 429 HE22 GLN 55 HE21 GLN 55 3.350 -10.876 -1.237 430 H ARG 56 H ARG 56 0.749 -7.539 3.769 431 HA ARG 56 HA ARG 56 -1.503 -9.200 4.260 432 HB2 ARG 56 HB1 ARG 56 0.118 -7.330 6.062 433 HB3 ARG 56 HB2 ARG 56 -1.153 -8.400 6.658 434 HG2 ARG 56 HG1 ARG 56 0.117 -10.297 5.403 435 HG3 ARG 56 HG2 ARG 56 1.467 -9.164 5.295 436 HD2 ARG 56 HD1 ARG 56 1.615 -9.063 7.732 437 HD3 ARG 56 HD2 ARG 56 0.111 -9.993 7.888 438 HE ARG 56 HE ARG 56 2.200 -11.325 6.325 439 HH11 ARG 56 HH11 ARG 56 1.055 -10.922 9.712 440 HH12 ARG 56 HH12 ARG 56 1.389 -12.598 10.059 441 HH21 ARG 56 HH21 ARG 56 2.595 -13.435 6.895 442 HH22 ARG 56 HH22 ARG 56 2.260 -14.016 8.510 443 H TRP 57 H TRP 57 -1.207 -5.666 4.330 444 HA TRP 57 HA TRP 57 -3.814 -5.148 5.349 445 HB2 TRP 57 HB1 TRP 57 -2.021 -3.482 5.324 446 HB3 TRP 57 HB2 TRP 57 -2.013 -3.474 3.564 447 HD1 TRP 57 HD1 TRP 57 -4.119 -2.331 6.537 448 HE1 TRP 57 HE1 TRP 57 -5.903 -0.654 5.723 449 HE3 TRP 57 HE3 TRP 57 -3.344 -2.647 1.502 450 HZ2 TRP 57 HZ2 TRP 57 -6.967 0.279 3.237 451 HZ3 TRP 57 HZ3 TRP 57 -4.895 -1.449 -0.077 452 HH2 TRP 57 HH2 TRP 57 -6.680 -0.003 0.801 453 H LEU 58 H LEU 58 -2.655 -5.328 1.907 454 HA LEU 58 HA LEU 58 -5.262 -4.918 0.802 455 HB2 LEU 58 HB1 LEU 58 -2.586 -5.696 -0.205 456 HB3 LEU 58 HB2 LEU 58 -3.903 -6.396 -1.134 457 HG LEU 58 HG LEU 58 -4.011 -3.495 -0.429 458 HD11 LEU 58 HD11 LEU 58 -1.781 -3.732 -1.422 459 HD12 LEU 58 HD12 LEU 58 -2.850 -2.971 -2.601 460 HD13 LEU 58 HD13 LEU 58 -2.468 -4.685 -2.779 461 HD21 LEU 58 HD21 LEU 58 -5.084 -5.011 -2.801 462 HD22 LEU 58 HD22 LEU 58 -5.216 -3.261 -2.558 463 HD23 LEU 58 HD23 LEU 58 -6.002 -4.343 -1.422 464 H GLU 59 H GLU 59 -3.558 -7.914 1.799 465 HA GLU 59 HA GLU 59 -5.530 -9.609 0.561 466 HB2 GLU 59 HB1 GLU 59 -3.436 -10.163 2.692 467 HB3 GLU 59 HB2 GLU 59 -4.593 -11.373 2.117 468 HG2 GLU 59 HG1 GLU 59 -3.808 -10.679 -0.290 469 HG3 GLU 59 HG2 GLU 59 -2.406 -10.015 0.539 470 H LYS 60 H LYS 60 -5.478 -8.051 3.834 471 HA LYS 60 HA LYS 60 -7.784 -9.669 4.580 472 HB2 LYS 60 HB1 LYS 60 -8.015 -8.516 6.549 473 HB3 LYS 60 HB2 LYS 60 -6.295 -8.525 6.256 474 HG2 LYS 60 HG1 LYS 60 -6.753 -6.436 7.147 475 HG3 LYS 60 HG2 LYS 60 -6.527 -6.105 5.450 476 HD2 LYS 60 HD1 LYS 60 -8.901 -5.696 5.131 477 HD3 LYS 60 HD2 LYS 60 -9.304 -6.451 6.676 478 HE2 LYS 60 HE1 LYS 60 -8.199 -4.623 7.881 479 HE3 LYS 60 HE2 LYS 60 -7.612 -3.937 6.362 480 HZ1 LYS 60 HZ1 LYS 60 -9.475 -2.742 7.127 481 HZ2 LYS 60 HZ2 LYS 60 -10.447 -4.054 7.215 482 HZ3 LYS 60 HZ3 LYS 60 -9.958 -3.536 5.746 483 H TYR 61 H TYR 61 -7.287 -6.763 2.794 484 HA TYR 61 HA TYR 61 -9.976 -5.740 2.821 485 HB2 TYR 61 HB1 TYR 61 -7.344 -5.060 1.685 486 HB3 TYR 61 HB2 TYR 61 -8.606 -4.842 0.521 487 HD1 TYR 61 HD2 TYR 61 -7.471 -3.958 3.955 488 HD2 TYR 61 HD1 TYR 61 -9.998 -2.918 0.649 489 HE1 TYR 61 HE2 TYR 61 -8.024 -1.806 5.072 490 HE2 TYR 61 HE1 TYR 61 -10.421 -0.689 1.623 491 HH TYR 61 HH TYR 61 -9.388 0.053 5.050 492 H HIS 62 H HIS 62 -8.111 -7.255 0.109 493 HA HIS 62 HA HIS 62 -10.516 -7.888 -1.332 494 HB2 HIS 62 HB1 HIS 62 -7.665 -8.881 -1.641 495 HB3 HIS 62 HB2 HIS 62 -8.973 -9.377 -2.713 496 HD1 HIS 62 HD1 HIS 62 -9.954 -7.501 -4.446 497 HD2 HIS 62 HD2 HIS 62 -6.914 -6.291 -1.790 498 HE1 HIS 62 HE1 HIS 62 -9.264 -5.199 -5.177 499 H ALA 63 H ALA 63 -8.836 -9.807 1.129 500 HA ALA 63 HA ALA 63 -9.122 -11.822 1.975 501 HB1 ALA 63 HB1 ALA 63 -11.395 -12.585 2.388 502 HB2 ALA 63 HB2 ALA 63 -11.285 -10.824 2.624 503 HB3 ALA 63 HB3 ALA 63 -12.037 -11.482 1.158 Start of MODEL 15 1 H1 GLY -1 H GLY -1 -2.469 -14.652 -4.400 2 HA2 GLY -1 HA1 GLY -1 -0.457 -16.751 -4.972 3 HA3 GLY -1 HA2 GLY -1 -1.167 -15.696 -6.211 4 HA PRO 0 HA PRO 0 2.438 -13.681 -3.623 5 HB2 PRO 0 HB1 PRO 0 4.679 -14.335 -5.110 6 HB3 PRO 0 HB2 PRO 0 4.133 -15.243 -3.680 7 HG2 PRO 0 HG1 PRO 0 3.572 -15.869 -6.587 8 HG3 PRO 0 HG2 PRO 0 4.127 -16.981 -5.297 9 HD2 PRO 0 HD1 PRO 0 1.528 -16.869 -5.965 10 HD3 PRO 0 HD2 PRO 0 1.986 -16.969 -4.238 11 H MET 1 H MET 1 3.659 -11.788 -4.379 12 HA MET 1 HA MET 1 3.406 -10.900 -7.149 13 HB2 MET 1 HB1 MET 1 1.897 -9.101 -6.707 14 HB3 MET 1 HB2 MET 1 1.134 -10.539 -6.075 15 HG2 MET 1 HG1 MET 1 2.223 -9.914 -3.835 16 HG3 MET 1 HG2 MET 1 2.451 -8.311 -4.520 17 HE1 MET 1 HE1 MET 1 0.448 -6.819 -5.341 18 HE2 MET 1 HE2 MET 1 -0.418 -8.076 -6.255 19 HE3 MET 1 HE3 MET 1 -1.272 -7.124 -5.021 20 H ASN 2 H ASN 2 4.624 -8.895 -7.476 21 HA ASN 2 HA ASN 2 6.758 -8.556 -5.397 22 HB2 ASN 2 HB1 ASN 2 8.101 -7.559 -7.180 23 HB3 ASN 2 HB2 ASN 2 7.554 -9.179 -7.564 24 HD21 ASN 2 HD22 ASN 2 6.908 -9.419 -9.667 25 HD22 ASN 2 HD21 ASN 2 6.099 -8.200 -10.597 26 H ILE 3 H ILE 3 7.722 -6.132 -5.564 27 HA ILE 3 HA ILE 3 5.866 -4.536 -4.219 28 HB ILE 3 HB ILE 3 8.561 -3.954 -5.433 29 HG12 ILE 3 HG11 ILE 3 7.481 -4.404 -2.622 30 HG13 ILE 3 HG12 ILE 3 8.454 -5.524 -3.560 31 HG21 ILE 3 HG21 ILE 3 7.396 -1.795 -5.441 32 HG22 ILE 3 HG22 ILE 3 6.923 -2.031 -3.746 33 HG23 ILE 3 HG23 ILE 3 8.625 -1.815 -4.206 34 HD11 ILE 3 HD11 ILE 3 9.837 -4.533 -1.873 35 HD12 ILE 3 HD12 ILE 3 10.365 -3.936 -3.453 36 HD13 ILE 3 HD13 ILE 3 9.388 -2.897 -2.371 37 H SER 4 H SER 4 6.735 -4.358 -7.684 38 HA SER 4 HA SER 4 5.197 -2.017 -8.191 39 HB2 SER 4 HB1 SER 4 6.981 -2.966 -9.660 40 HB3 SER 4 HB2 SER 4 5.871 -4.261 -10.114 41 HG SER 4 HG SER 4 5.781 -2.622 -11.645 42 H ASP 5 H ASP 5 4.239 -5.430 -7.769 43 HA ASP 5 HA ASP 5 1.601 -5.080 -8.961 44 HB2 ASP 5 HB1 ASP 5 2.750 -7.197 -7.133 45 HB3 ASP 5 HB2 ASP 5 1.196 -7.292 -7.928 46 H ILE 6 H ILE 6 3.030 -4.747 -5.742 47 HA ILE 6 HA ILE 6 0.545 -4.808 -4.273 48 HB ILE 6 HB ILE 6 3.198 -3.476 -3.592 49 HG12 ILE 6 HG11 ILE 6 2.076 -6.107 -2.518 50 HG13 ILE 6 HG12 ILE 6 3.165 -6.032 -3.890 51 HG21 ILE 6 HG21 ILE 6 0.863 -4.125 -1.732 52 HG22 ILE 6 HG22 ILE 6 2.422 -3.420 -1.255 53 HG23 ILE 6 HG23 ILE 6 1.321 -2.494 -2.264 54 HD11 ILE 6 HD11 ILE 6 4.841 -4.802 -2.444 55 HD12 ILE 6 HD12 ILE 6 3.816 -5.160 -1.065 56 HD13 ILE 6 HD13 ILE 6 4.529 -6.491 -1.997 57 H ARG 7 H ARG 7 2.598 -2.045 -5.362 58 HA ARG 7 HA ARG 7 0.701 -0.063 -4.645 59 HB2 ARG 7 HB1 ARG 7 1.878 1.432 -6.204 60 HB3 ARG 7 HB2 ARG 7 2.964 0.613 -5.086 61 HG2 ARG 7 HG1 ARG 7 3.859 -0.770 -6.778 62 HG3 ARG 7 HG2 ARG 7 2.501 -0.478 -7.884 63 HD2 ARG 7 HD1 ARG 7 3.139 1.818 -8.197 64 HD3 ARG 7 HD2 ARG 7 4.491 1.657 -7.083 65 HE ARG 7 HE ARG 7 4.163 0.402 -9.766 66 HH11 ARG 7 HH11 ARG 7 6.392 1.060 -7.039 67 HH12 ARG 7 HH12 ARG 7 7.670 1.419 -8.189 68 HH21 ARG 7 HH21 ARG 7 6.002 0.028 -10.918 69 HH22 ARG 7 HH22 ARG 7 7.606 0.307 -10.275 70 H ALA 8 H ALA 8 0.900 -2.038 -7.589 71 HA ALA 8 HA ALA 8 -0.817 -0.553 -9.204 72 HB1 ALA 8 HB1 ALA 8 -0.380 -3.561 -9.120 73 HB2 ALA 8 HB2 ALA 8 -1.209 -2.685 -10.404 74 HB3 ALA 8 HB3 ALA 8 0.511 -2.367 -10.104 75 H GLY 9 H GLY 9 -1.629 -2.596 -6.436 76 HA2 GLY 9 HA1 GLY 9 -4.467 -2.745 -7.176 77 HA3 GLY 9 HA2 GLY 9 -3.702 -3.352 -5.700 78 H LEU 10 H LEU 10 -2.473 -1.227 -4.610 79 HA LEU 10 HA LEU 10 -4.458 0.181 -3.277 80 HB2 LEU 10 HB1 LEU 10 -1.762 1.437 -3.736 81 HB3 LEU 10 HB2 LEU 10 -2.814 1.613 -2.348 82 HG LEU 10 HG LEU 10 -1.269 -0.903 -3.046 83 HD11 LEU 10 HD11 LEU 10 0.189 0.861 -2.238 84 HD12 LEU 10 HD12 LEU 10 -0.009 -0.394 -1.006 85 HD13 LEU 10 HD13 LEU 10 -0.876 1.149 -0.842 86 HD21 LEU 10 HD21 LEU 10 -3.042 -0.285 -0.649 87 HD22 LEU 10 HD22 LEU 10 -2.008 -1.722 -0.825 88 HD23 LEU 10 HD23 LEU 10 -3.366 -1.484 -1.925 89 H ARG 11 H ARG 11 -2.843 1.223 -6.269 90 HA ARG 11 HA ARG 11 -3.805 3.918 -6.223 91 HB2 ARG 11 HB1 ARG 11 -3.170 4.078 -8.505 92 HB3 ARG 11 HB2 ARG 11 -1.978 3.053 -7.704 93 HG2 ARG 11 HG1 ARG 11 -3.427 1.076 -8.541 94 HG3 ARG 11 HG2 ARG 11 -4.198 2.244 -9.620 95 HD2 ARG 11 HD1 ARG 11 -2.025 2.705 -10.682 96 HD3 ARG 11 HD2 ARG 11 -1.229 1.629 -9.518 97 HE ARG 11 HE ARG 11 -3.361 0.237 -10.788 98 HH11 ARG 11 HH11 ARG 11 0.011 1.206 -11.307 99 HH12 ARG 11 HH12 ARG 11 0.323 0.068 -12.561 100 HH21 ARG 11 HH21 ARG 11 -2.995 -1.309 -12.324 101 HH22 ARG 11 HH22 ARG 11 -1.450 -1.512 -13.119 102 H THR 12 H THR 12 -5.269 0.891 -7.550 103 HA THR 12 HA THR 12 -7.543 2.071 -8.695 104 HB THR 12 HB THR 12 -7.175 -0.708 -7.475 105 HG1 THR 12 HG1 THR 12 -6.166 -1.223 -9.330 106 HG21 THR 12 HG21 THR 12 -8.979 0.252 -9.739 107 HG22 THR 12 HG22 THR 12 -9.508 -0.295 -8.138 108 HG23 THR 12 HG23 THR 12 -8.738 -1.438 -9.245 109 H LEU 13 H LEU 13 -6.934 0.765 -5.401 110 HA LEU 13 HA LEU 13 -9.527 1.116 -4.375 111 HB2 LEU 13 HB1 LEU 13 -6.771 1.006 -3.149 112 HB3 LEU 13 HB2 LEU 13 -8.097 1.534 -2.156 113 HG LEU 13 HG LEU 13 -7.548 -0.844 -1.887 114 HD11 LEU 13 HD11 LEU 13 -9.804 -1.714 -1.859 115 HD12 LEU 13 HD12 LEU 13 -10.350 -0.490 -3.000 116 HD13 LEU 13 HD13 LEU 13 -9.825 -0.016 -1.360 117 HD21 LEU 13 HD21 LEU 13 -8.682 -1.255 -4.682 118 HD22 LEU 13 HD22 LEU 13 -8.198 -2.513 -3.531 119 HD23 LEU 13 HD23 LEU 13 -6.970 -1.440 -4.204 120 H VAL 14 H VAL 14 -6.843 3.578 -4.604 121 HA VAL 14 HA VAL 14 -8.619 5.470 -3.220 122 HB VAL 14 HB VAL 14 -6.865 7.137 -3.544 123 HG11 VAL 14 HG11 VAL 14 -5.957 4.471 -2.364 124 HG12 VAL 14 HG12 VAL 14 -5.300 6.090 -1.957 125 HG13 VAL 14 HG13 VAL 14 -6.971 5.682 -1.565 126 HG21 VAL 14 HG21 VAL 14 -5.215 4.915 -4.803 127 HG22 VAL 14 HG22 VAL 14 -5.794 6.368 -5.632 128 HG23 VAL 14 HG23 VAL 14 -4.622 6.510 -4.313 129 H GLU 15 H GLU 15 -7.716 4.803 -6.605 130 HA GLU 15 HA GLU 15 -8.814 7.150 -7.765 131 HB2 GLU 15 HB1 GLU 15 -8.332 4.294 -8.708 132 HB3 GLU 15 HB2 GLU 15 -9.114 5.450 -9.774 133 HG2 GLU 15 HG1 GLU 15 -6.468 6.099 -8.439 134 HG3 GLU 15 HG2 GLU 15 -6.554 5.198 -9.939 135 H ASN 16 H ASN 16 -10.347 4.312 -6.472 136 HA ASN 16 HA ASN 16 -12.987 5.152 -7.597 137 HB2 ASN 16 HB1 ASN 16 -12.096 2.447 -6.540 138 HB3 ASN 16 HB2 ASN 16 -13.722 2.862 -7.063 139 HD21 ASN 16 HD22 ASN 16 -10.366 2.586 -8.207 140 HD22 ASN 16 HD21 ASN 16 -10.708 2.458 -9.925 141 H GLU 17 H GLU 17 -11.240 6.033 -5.092 142 HA GLU 17 HA GLU 17 -11.476 6.662 -2.980 143 HB2 GLU 17 HB1 GLU 17 -14.137 7.296 -4.262 144 HB3 GLU 17 HB2 GLU 17 -13.892 7.720 -2.574 145 HG2 GLU 17 HG1 GLU 17 -11.876 8.579 -4.669 146 HG3 GLU 17 HG2 GLU 17 -13.344 9.485 -4.346 147 H GLU 18 H GLU 18 -11.763 3.843 -3.293 148 HA GLU 18 HA GLU 18 -13.877 2.716 -1.721 149 HB2 GLU 18 HB1 GLU 18 -11.056 1.753 -2.339 150 HB3 GLU 18 HB2 GLU 18 -12.325 0.745 -1.673 151 HG2 GLU 18 HG1 GLU 18 -13.016 2.157 -4.242 152 HG3 GLU 18 HG2 GLU 18 -11.748 0.942 -4.342 153 H THR 19 H THR 19 -10.731 4.152 -0.891 154 HA THR 19 HA THR 19 -11.388 4.266 1.907 155 HB THR 19 HB THR 19 -10.596 1.908 1.628 156 HG1 THR 19 HG1 THR 19 -9.900 2.106 3.511 157 HG21 THR 19 HG21 THR 19 -8.252 1.406 1.175 158 HG22 THR 19 HG22 THR 19 -7.927 3.128 0.850 159 HG23 THR 19 HG23 THR 19 -8.993 2.228 -0.219 160 H THR 20 H THR 20 -9.522 5.503 3.025 161 HA THR 20 HA THR 20 -8.376 7.427 1.053 162 HB THR 20 HB THR 20 -8.134 8.915 3.027 163 HG1 THR 20 HG1 THR 20 -9.862 7.239 4.494 164 HG21 THR 20 HG21 THR 20 -10.052 9.070 1.565 165 HG22 THR 20 HG22 THR 20 -10.451 9.537 3.222 166 HG23 THR 20 HG23 THR 20 -10.972 7.952 2.577 167 H PHE 21 H PHE 21 -6.340 8.417 1.605 168 HA PHE 21 HA PHE 21 -4.212 6.587 1.933 169 HB2 PHE 21 HB1 PHE 21 -4.587 9.583 2.037 170 HB3 PHE 21 HB2 PHE 21 -3.045 8.942 2.595 171 HD1 PHE 21 HD2 PHE 21 -2.253 6.834 0.834 172 HD2 PHE 21 HD1 PHE 21 -4.293 10.517 -0.123 173 HE1 PHE 21 HE2 PHE 21 -1.416 6.694 -1.491 174 HE2 PHE 21 HE1 PHE 21 -3.430 10.385 -2.444 175 HZ PHE 21 HZ PHE 21 -1.969 8.463 -3.124 176 H LYS 22 H LYS 22 -5.876 8.715 4.283 177 HA LYS 22 HA LYS 22 -4.206 8.114 6.527 178 HB2 LYS 22 HB1 LYS 22 -7.104 8.996 6.400 179 HB3 LYS 22 HB2 LYS 22 -6.144 8.899 7.886 180 HG2 LYS 22 HG1 LYS 22 -4.502 10.504 6.897 181 HG3 LYS 22 HG2 LYS 22 -5.567 10.671 5.485 182 HD2 LYS 22 HD1 LYS 22 -7.363 11.536 6.949 183 HD3 LYS 22 HD2 LYS 22 -6.306 11.333 8.369 184 HE2 LYS 22 HE1 LYS 22 -4.643 12.876 7.309 185 HE3 LYS 22 HE2 LYS 22 -5.746 13.093 5.940 186 HZ1 LYS 22 HZ1 LYS 22 -6.250 13.895 8.739 187 HZ2 LYS 22 HZ2 LYS 22 -7.381 13.969 7.536 188 HZ3 LYS 22 HZ3 LYS 22 -6.025 14.882 7.440 189 H GLN 23 H GLN 23 -7.295 6.581 5.384 190 HA GLN 23 HA GLN 23 -7.387 4.811 7.598 191 HB2 GLN 23 HB1 GLN 23 -9.297 5.395 6.104 192 HB3 GLN 23 HB2 GLN 23 -8.561 4.428 4.825 193 HG2 GLN 23 HG1 GLN 23 -10.338 3.197 5.959 194 HG3 GLN 23 HG2 GLN 23 -8.784 2.401 6.235 195 HE21 GLN 23 HE22 GLN 23 -9.755 1.287 8.148 196 HE22 GLN 23 HE21 GLN 23 -9.882 2.150 9.645 197 H ILE 24 H ILE 24 -5.999 4.300 4.267 198 HA ILE 24 HA ILE 24 -5.124 1.656 4.723 199 HB ILE 24 HB ILE 24 -3.659 3.812 3.140 200 HG12 ILE 24 HG11 ILE 24 -5.513 1.742 1.918 201 HG13 ILE 24 HG12 ILE 24 -6.135 3.279 2.463 202 HG21 ILE 24 HG21 ILE 24 -2.641 1.925 1.882 203 HG22 ILE 24 HG22 ILE 24 -2.265 1.756 3.593 204 HG23 ILE 24 HG23 ILE 24 -3.536 0.761 2.878 205 HD11 ILE 24 HD11 ILE 24 -4.551 4.475 0.953 206 HD12 ILE 24 HD12 ILE 24 -3.972 2.909 0.343 207 HD13 ILE 24 HD13 ILE 24 -5.652 3.396 0.084 208 H ALA 25 H ALA 25 -3.505 4.758 5.534 209 HA ALA 25 HA ALA 25 -1.112 3.606 6.604 210 HB1 ALA 25 HB1 ALA 25 -1.500 6.006 5.827 211 HB2 ALA 25 HB2 ALA 25 -2.394 6.267 7.331 212 HB3 ALA 25 HB3 ALA 25 -0.669 5.841 7.365 213 H LEU 26 H LEU 26 -4.212 4.492 8.145 214 HA LEU 26 HA LEU 26 -3.348 4.094 10.837 215 HB2 LEU 26 HB1 LEU 26 -5.414 5.340 10.112 216 HB3 LEU 26 HB2 LEU 26 -6.122 3.813 9.584 217 HG LEU 26 HG LEU 26 -5.958 2.989 11.988 218 HD11 LEU 26 HD11 LEU 26 -5.217 5.922 12.468 219 HD12 LEU 26 HD12 LEU 26 -4.249 4.501 12.865 220 HD13 LEU 26 HD13 LEU 26 -5.748 4.777 13.741 221 HD21 LEU 26 HD21 LEU 26 -7.634 5.442 11.313 222 HD22 LEU 26 HD22 LEU 26 -7.918 4.362 12.717 223 HD23 LEU 26 HD23 LEU 26 -8.052 3.742 11.071 224 H GLU 27 H GLU 27 -5.062 2.007 8.500 225 HA GLU 27 HA GLU 27 -5.319 -0.304 10.093 226 HB2 GLU 27 HB1 GLU 27 -5.045 0.024 7.075 227 HB3 GLU 27 HB2 GLU 27 -5.589 -1.437 7.874 228 HG2 GLU 27 HG1 GLU 27 -7.080 1.159 8.332 229 HG3 GLU 27 HG2 GLU 27 -7.292 0.254 6.834 230 H SER 28 H SER 28 -2.742 0.620 7.755 231 HA SER 28 HA SER 28 -1.177 -1.785 8.315 232 HB2 SER 28 HB1 SER 28 0.448 -0.741 6.770 233 HB3 SER 28 HB2 SER 28 -1.182 -0.792 6.090 234 HG SER 28 HG SER 28 -1.445 1.323 6.430 235 H GLY 29 H GLY 29 -1.504 1.242 9.930 236 HA2 GLY 29 HA1 GLY 29 -0.454 2.087 11.754 237 HA3 GLY 29 HA2 GLY 29 0.573 0.640 11.833 238 H LEU 30 H LEU 30 0.569 2.257 8.742 239 HA LEU 30 HA LEU 30 3.369 3.132 9.182 240 HB2 LEU 30 HB1 LEU 30 1.773 3.075 6.594 241 HB3 LEU 30 HB2 LEU 30 3.491 3.366 6.760 242 HG LEU 30 HG LEU 30 2.124 0.723 7.475 243 HD11 LEU 30 HD11 LEU 30 3.196 -0.172 5.426 244 HD12 LEU 30 HD12 LEU 30 3.796 1.460 5.056 245 HD13 LEU 30 HD13 LEU 30 2.039 1.117 5.055 246 HD21 LEU 30 HD21 LEU 30 4.188 1.029 8.746 247 HD22 LEU 30 HD22 LEU 30 5.075 1.451 7.258 248 HD23 LEU 30 HD23 LEU 30 4.422 -0.190 7.499 249 H SER 31 H SER 31 3.947 5.307 8.136 250 HA SER 31 HA SER 31 2.210 7.429 9.225 251 HB2 SER 31 HB1 SER 31 4.328 8.702 8.093 252 HB3 SER 31 HB2 SER 31 4.346 8.016 9.709 253 HG SER 31 HG SER 31 5.407 6.832 7.345 254 H THR 32 H THR 32 0.814 8.629 7.765 255 HA THR 32 HA THR 32 0.197 7.725 5.234 256 HB THR 32 HB THR 32 -0.886 9.935 4.887 257 HG1 THR 32 HG1 THR 32 -0.853 11.428 6.426 258 HG21 THR 32 HG21 THR 32 -2.376 9.802 6.886 259 HG22 THR 32 HG22 THR 32 -1.259 8.657 7.634 260 HG23 THR 32 HG23 THR 32 -2.069 8.252 6.097 261 H GLY 33 H GLY 33 3.048 9.997 5.721 262 HA2 GLY 33 HA1 GLY 33 3.047 10.643 2.913 263 HA3 GLY 33 HA2 GLY 33 4.383 10.814 4.040 264 H THR 34 H THR 34 4.048 7.733 4.663 265 HA THR 34 HA THR 34 6.050 6.847 2.889 266 HB THR 34 HB THR 34 4.256 5.293 4.794 267 HG1 THR 34 HG1 THR 34 6.461 6.997 5.066 268 HG21 THR 34 HG21 THR 34 7.017 4.663 3.685 269 HG22 THR 34 HG22 THR 34 5.506 3.857 3.252 270 HG23 THR 34 HG23 THR 34 6.113 3.711 4.910 271 H ILE 35 H ILE 35 2.643 5.680 3.078 272 HA ILE 35 HA ILE 35 2.568 3.859 1.017 273 HB ILE 35 HB ILE 35 0.490 5.777 2.168 274 HG12 ILE 35 HG11 ILE 35 0.676 2.806 2.602 275 HG13 ILE 35 HG12 ILE 35 1.654 3.832 3.586 276 HG21 ILE 35 HG21 ILE 35 -1.291 4.345 1.297 277 HG22 ILE 35 HG22 ILE 35 -0.378 5.102 0.009 278 HG23 ILE 35 HG23 ILE 35 -0.095 3.384 0.396 279 HD11 ILE 35 HD11 ILE 35 -0.534 2.960 4.513 280 HD12 ILE 35 HD12 ILE 35 -0.189 4.656 4.733 281 HD13 ILE 35 HD13 ILE 35 -1.346 4.172 3.483 282 H SER 36 H SER 36 1.620 7.320 0.839 283 HA SER 36 HA SER 36 1.183 7.315 -1.957 284 HB2 SER 36 HB1 SER 36 1.657 9.835 -1.689 285 HB3 SER 36 HB2 SER 36 0.409 9.154 -0.620 286 HG SER 36 HG SER 36 1.660 10.223 0.780 287 H SER 37 H SER 37 4.252 7.924 -0.112 288 HA SER 37 HA SER 37 5.751 8.556 -2.448 289 HB2 SER 37 HB1 SER 37 6.175 9.033 0.043 290 HB3 SER 37 HB2 SER 37 6.963 7.451 0.088 291 HG SER 37 HG SER 37 7.483 9.666 -1.639 292 H PHE 38 H PHE 38 5.215 5.475 -0.721 293 HA PHE 38 HA PHE 38 7.004 3.833 -2.179 294 HB2 PHE 38 HB1 PHE 38 6.063 3.133 -0.075 295 HB3 PHE 38 HB2 PHE 38 4.422 3.326 -0.646 296 HD1 PHE 38 HD2 PHE 38 3.349 1.676 -2.120 297 HD2 PHE 38 HD1 PHE 38 7.338 1.078 -0.587 298 HE1 PHE 38 HE2 PHE 38 3.227 -0.713 -2.749 299 HE2 PHE 38 HE1 PHE 38 7.187 -1.326 -1.145 300 HZ PHE 38 HZ PHE 38 5.121 -2.227 -2.241 301 H ILE 39 H ILE 39 3.497 4.520 -2.684 302 HA ILE 39 HA ILE 39 3.241 2.962 -5.056 303 HB ILE 39 HB ILE 39 1.693 5.378 -4.048 304 HG12 ILE 39 HG11 ILE 39 0.832 2.464 -3.877 305 HG13 ILE 39 HG12 ILE 39 1.739 3.223 -2.582 306 HG21 ILE 39 HG21 ILE 39 -0.139 4.758 -5.534 307 HG22 ILE 39 HG22 ILE 39 1.307 4.906 -6.508 308 HG23 ILE 39 HG23 ILE 39 0.708 3.305 -6.082 309 HD11 ILE 39 HD11 ILE 39 -0.602 3.343 -2.038 310 HD12 ILE 39 HD12 ILE 39 -0.025 4.983 -2.394 311 HD13 ILE 39 HD13 ILE 39 -0.987 4.091 -3.592 312 H ASN 40 H ASN 40 4.129 6.416 -4.541 313 HA ASN 40 HA ASN 40 4.268 6.957 -7.388 314 HB2 ASN 40 HB1 ASN 40 4.988 8.558 -4.899 315 HB3 ASN 40 HB2 ASN 40 5.229 9.168 -6.531 316 HD21 ASN 40 HD22 ASN 40 3.173 9.904 -4.243 317 HD22 ASN 40 HD21 ASN 40 1.685 9.993 -5.173 318 H ASP 41 H ASP 41 6.302 5.020 -5.737 319 HA ASP 41 HA ASP 41 8.386 4.285 -5.986 320 HB2 ASP 41 HB1 ASP 41 8.428 5.923 -8.535 321 HB3 ASP 41 HB2 ASP 41 9.563 4.672 -8.038 322 H LYS 42 H LYS 42 7.983 6.742 -4.459 323 HA LYS 42 HA LYS 42 10.684 8.017 -4.741 324 HB2 LYS 42 HB1 LYS 42 8.087 9.296 -3.826 325 HB3 LYS 42 HB2 LYS 42 9.661 10.099 -3.839 326 HG2 LYS 42 HG1 LYS 42 8.030 9.189 -6.209 327 HG3 LYS 42 HG2 LYS 42 8.296 10.837 -5.709 328 HD2 LYS 42 HD1 LYS 42 10.540 10.857 -6.440 329 HD3 LYS 42 HD2 LYS 42 10.656 9.105 -6.572 330 HE2 LYS 42 HE1 LYS 42 8.750 10.736 -8.287 331 HE3 LYS 42 HE2 LYS 42 10.418 10.400 -8.750 332 HZ1 LYS 42 HZ1 LYS 42 8.367 8.331 -8.249 333 HZ2 LYS 42 HZ2 LYS 42 9.939 8.045 -8.686 334 HZ3 LYS 42 HZ3 LYS 42 8.946 8.807 -9.718 335 H TYR 43 H TYR 43 8.986 5.912 -2.747 336 HA TYR 43 HA TYR 43 9.818 7.103 -0.222 337 HB2 TYR 43 HB1 TYR 43 7.949 5.527 -0.213 338 HB3 TYR 43 HB2 TYR 43 8.978 4.241 -0.832 339 HD1 TYR 43 HD1 TYR 43 8.901 6.764 1.982 340 HD2 TYR 43 HD2 TYR 43 9.824 2.730 0.766 341 HE1 TYR 43 HE1 TYR 43 9.659 6.223 4.301 342 HE2 TYR 43 HE2 TYR 43 10.533 2.184 3.081 343 HH TYR 43 HH TYR 43 10.819 2.943 5.258 344 H ASN 44 H ASN 44 11.915 7.445 0.064 345 HA ASN 44 HA ASN 44 13.983 5.547 -0.946 346 HB2 ASN 44 HB1 ASN 44 14.056 8.392 0.149 347 HB3 ASN 44 HB2 ASN 44 15.503 7.403 -0.010 348 HD21 ASN 44 HD22 ASN 44 15.251 9.830 -1.345 349 HD22 ASN 44 HD21 ASN 44 15.243 9.476 -3.083 350 H GLY 45 H GLY 45 13.583 3.833 0.530 351 HA2 GLY 45 HA1 GLY 45 14.812 3.968 3.056 352 HA3 GLY 45 HA2 GLY 45 13.055 4.138 3.286 353 H ASP 46 H ASP 46 13.163 2.125 4.366 354 HA ASP 46 HA ASP 46 13.928 -0.369 3.189 355 HB2 ASP 46 HB1 ASP 46 12.935 -1.283 5.253 356 HB3 ASP 46 HB2 ASP 46 14.116 -0.018 5.543 357 H ASN 47 H ASN 47 12.650 0.114 1.202 358 HA ASN 47 HA ASN 47 9.798 0.029 1.115 359 HB2 ASN 47 HB1 ASN 47 11.811 -0.896 -0.980 360 HB3 ASN 47 HB2 ASN 47 10.080 -0.915 -1.213 361 HD21 ASN 47 HD22 ASN 47 12.696 1.460 -0.265 362 HD22 ASN 47 HD21 ASN 47 11.905 2.773 -1.120 363 H GLU 48 H GLU 48 12.194 -2.525 1.437 364 HA GLU 48 HA GLU 48 10.551 -4.809 0.987 365 HB2 GLU 48 HB1 GLU 48 12.989 -4.393 2.764 366 HB3 GLU 48 HB2 GLU 48 12.278 -5.976 2.425 367 HG2 GLU 48 HG1 GLU 48 12.706 -5.706 0.021 368 HG3 GLU 48 HG2 GLU 48 13.398 -4.108 0.298 369 H ARG 49 H ARG 49 10.885 -2.712 3.848 370 HA ARG 49 HA ARG 49 9.528 -4.632 5.625 371 HB2 ARG 49 HB1 ARG 49 11.218 -2.982 6.477 372 HB3 ARG 49 HB2 ARG 49 10.166 -1.656 6.005 373 HG2 ARG 49 HG1 ARG 49 8.475 -2.314 7.601 374 HG3 ARG 49 HG2 ARG 49 9.323 -3.817 7.990 375 HD2 ARG 49 HD1 ARG 49 10.498 -1.050 8.427 376 HD3 ARG 49 HD2 ARG 49 9.605 -1.918 9.656 377 HE ARG 49 HE ARG 49 11.395 -3.789 9.110 378 HH11 ARG 49 HH11 ARG 49 12.170 -0.327 9.146 379 HH12 ARG 49 HH12 ARG 49 13.628 -0.487 10.057 380 HH21 ARG 49 HH21 ARG 49 13.353 -4.041 10.344 381 HH22 ARG 49 HH22 ARG 49 14.455 -2.701 10.360 382 H VAL 50 H VAL 50 8.852 -1.547 4.063 383 HA VAL 50 HA VAL 50 6.163 -1.208 4.809 384 HB VAL 50 HB VAL 50 7.797 -0.326 2.411 385 HG11 VAL 50 HG11 VAL 50 6.162 1.582 2.232 386 HG12 VAL 50 HG12 VAL 50 5.491 0.007 1.786 387 HG13 VAL 50 HG13 VAL 50 5.140 0.680 3.397 388 HG21 VAL 50 HG21 VAL 50 8.713 0.489 4.568 389 HG22 VAL 50 HG22 VAL 50 7.981 1.830 3.700 390 HG23 VAL 50 HG23 VAL 50 7.112 1.078 5.049 391 H SER 51 H SER 51 7.522 -2.804 1.842 392 HA SER 51 HA SER 51 5.140 -3.235 0.483 393 HB2 SER 51 HB1 SER 51 6.333 -5.058 -0.650 394 HB3 SER 51 HB2 SER 51 7.365 -3.629 -0.483 395 HG SER 51 HG SER 51 8.313 -5.767 0.018 396 H GLN 52 H GLN 52 6.749 -5.371 2.828 397 HA GLN 52 HA GLN 52 4.764 -7.391 2.808 398 HB2 GLN 52 HB1 GLN 52 6.791 -6.629 4.940 399 HB3 GLN 52 HB2 GLN 52 5.821 -8.101 4.918 400 HG2 GLN 52 HG1 GLN 52 7.928 -7.276 2.872 401 HG3 GLN 52 HG2 GLN 52 8.017 -8.602 4.025 402 HE21 GLN 52 HE22 GLN 52 6.863 -7.582 0.882 403 HE22 GLN 52 HE21 GLN 52 6.051 -9.082 0.450 404 H THR 53 H THR 53 4.913 -4.418 4.876 405 HA THR 53 HA THR 53 2.709 -5.294 6.487 406 HB THR 53 HB THR 53 3.449 -2.429 5.773 407 HG1 THR 53 HG1 THR 53 4.541 -4.032 7.836 408 HG21 THR 53 HG21 THR 53 1.378 -2.726 7.128 409 HG22 THR 53 HG22 THR 53 2.667 -1.936 8.054 410 HG23 THR 53 HG23 THR 53 2.288 -3.652 8.324 411 H LEU 54 H LEU 54 2.970 -3.465 3.422 412 HA LEU 54 HA LEU 54 0.174 -2.913 3.150 413 HB2 LEU 54 HB1 LEU 54 2.469 -3.097 1.165 414 HB3 LEU 54 HB2 LEU 54 0.831 -2.653 0.684 415 HG LEU 54 HG LEU 54 2.554 -1.108 2.685 416 HD11 LEU 54 HD11 LEU 54 2.016 -0.741 -0.277 417 HD12 LEU 54 HD12 LEU 54 3.564 -0.963 0.542 418 HD13 LEU 54 HD13 LEU 54 2.656 0.543 0.758 419 HD21 LEU 54 HD21 LEU 54 0.841 0.663 2.328 420 HD22 LEU 54 HD22 LEU 54 0.218 -0.742 3.175 421 HD23 LEU 54 HD23 LEU 54 -0.168 -0.507 1.452 422 H GLN 55 H GLN 55 2.196 -5.658 2.090 423 HA GLN 55 HA GLN 55 0.301 -6.967 0.470 424 HB2 GLN 55 HB1 GLN 55 2.413 -8.206 2.323 425 HB3 GLN 55 HB2 GLN 55 1.514 -9.088 1.109 426 HG2 GLN 55 HG1 GLN 55 2.608 -6.866 -0.258 427 HG3 GLN 55 HG2 GLN 55 3.884 -7.439 0.802 428 HE21 GLN 55 HE22 GLN 55 1.384 -8.956 -1.396 429 HE22 GLN 55 HE21 GLN 55 2.528 -10.082 -2.059 430 H ARG 56 H ARG 56 0.868 -7.388 4.001 431 HA ARG 56 HA ARG 56 -1.205 -9.327 4.290 432 HB2 ARG 56 HB1 ARG 56 0.091 -7.333 6.250 433 HB3 ARG 56 HB2 ARG 56 -1.186 -8.429 6.741 434 HG2 ARG 56 HG1 ARG 56 0.399 -10.306 5.660 435 HG3 ARG 56 HG2 ARG 56 1.646 -9.062 5.893 436 HD2 ARG 56 HD1 ARG 56 1.608 -10.390 7.876 437 HD3 ARG 56 HD2 ARG 56 0.831 -8.857 8.281 438 HE ARG 56 HE ARG 56 -1.060 -10.838 7.375 439 HH11 ARG 56 HH11 ARG 56 0.518 -9.555 10.296 440 HH12 ARG 56 HH12 ARG 56 -0.612 -10.255 11.388 441 HH21 ARG 56 HH21 ARG 56 -2.521 -11.782 8.764 442 HH22 ARG 56 HH22 ARG 56 -2.397 -11.634 10.476 443 H TRP 57 H TRP 57 -1.325 -5.805 4.312 444 HA TRP 57 HA TRP 57 -3.997 -5.584 5.398 445 HB2 TRP 57 HB1 TRP 57 -2.423 -3.717 5.463 446 HB3 TRP 57 HB2 TRP 57 -2.250 -3.731 3.722 447 HD1 TRP 57 HD1 TRP 57 -4.768 -2.851 6.428 448 HE1 TRP 57 HE1 TRP 57 -6.549 -1.266 5.493 449 HE3 TRP 57 HE3 TRP 57 -3.478 -3.017 1.496 450 HZ2 TRP 57 HZ2 TRP 57 -7.238 -0.092 2.938 451 HZ3 TRP 57 HZ3 TRP 57 -4.882 -1.839 -0.194 452 HH2 TRP 57 HH2 TRP 57 -6.725 -0.355 0.520 453 H LEU 58 H LEU 58 -2.615 -5.404 2.089 454 HA LEU 58 HA LEU 58 -4.962 -5.173 0.660 455 HB2 LEU 58 HB1 LEU 58 -2.261 -5.326 0.091 456 HB3 LEU 58 HB2 LEU 58 -2.838 -6.823 -0.628 457 HG LEU 58 HG LEU 58 -4.050 -4.032 -1.048 458 HD11 LEU 58 HD11 LEU 58 -2.110 -5.527 -2.874 459 HD12 LEU 58 HD12 LEU 58 -1.703 -4.103 -1.881 460 HD13 LEU 58 HD13 LEU 58 -2.858 -3.952 -3.214 461 HD21 LEU 58 HD21 LEU 58 -4.545 -6.594 -2.547 462 HD22 LEU 58 HD22 LEU 58 -5.033 -4.975 -3.115 463 HD23 LEU 58 HD23 LEU 58 -5.681 -5.579 -1.601 464 H GLU 59 H GLU 59 -3.286 -8.231 1.500 465 HA GLU 59 HA GLU 59 -5.037 -9.896 0.041 466 HB2 GLU 59 HB1 GLU 59 -4.185 -11.723 1.339 467 HB3 GLU 59 HB2 GLU 59 -2.871 -10.588 0.894 468 HG2 GLU 59 HG1 GLU 59 -2.763 -9.745 3.047 469 HG3 GLU 59 HG2 GLU 59 -4.057 -10.807 3.629 470 H LYS 60 H LYS 60 -5.192 -8.941 3.421 471 HA LYS 60 HA LYS 60 -7.708 -10.311 3.877 472 HB2 LYS 60 HB1 LYS 60 -7.983 -9.327 5.954 473 HB3 LYS 60 HB2 LYS 60 -6.260 -9.568 5.799 474 HG2 LYS 60 HG1 LYS 60 -5.846 -7.258 5.557 475 HG3 LYS 60 HG2 LYS 60 -7.519 -6.843 5.207 476 HD2 LYS 60 HD1 LYS 60 -6.694 -7.891 7.935 477 HD3 LYS 60 HD2 LYS 60 -6.544 -6.206 7.441 478 HE2 LYS 60 HE1 LYS 60 -8.531 -6.238 8.606 479 HE3 LYS 60 HE2 LYS 60 -8.979 -6.132 6.908 480 HZ1 LYS 60 HZ1 LYS 60 -10.364 -7.635 8.145 481 HZ2 LYS 60 HZ2 LYS 60 -9.111 -8.605 8.552 482 HZ3 LYS 60 HZ3 LYS 60 -9.608 -8.464 6.983 483 H TYR 61 H TYR 61 -6.938 -7.123 2.585 484 HA TYR 61 HA TYR 61 -9.382 -5.883 2.815 485 HB2 TYR 61 HB1 TYR 61 -6.950 -5.236 1.671 486 HB3 TYR 61 HB2 TYR 61 -7.973 -5.314 0.261 487 HD1 TYR 61 HD2 TYR 61 -7.764 -3.961 3.740 488 HD2 TYR 61 HD1 TYR 61 -9.427 -3.477 -0.206 489 HE1 TYR 61 HE2 TYR 61 -8.894 -1.936 4.512 490 HE2 TYR 61 HE1 TYR 61 -10.502 -1.372 0.503 491 HH TYR 61 HH TYR 61 -11.230 -0.211 2.378 492 H HIS 62 H HIS 62 -8.229 -7.614 -0.097 493 HA HIS 62 HA HIS 62 -10.932 -7.716 -1.204 494 HB2 HIS 62 HB1 HIS 62 -8.364 -9.099 -2.054 495 HB3 HIS 62 HB2 HIS 62 -9.873 -9.160 -2.962 496 HD1 HIS 62 HD1 HIS 62 -10.855 -6.612 -3.742 497 HD2 HIS 62 HD2 HIS 62 -6.850 -7.108 -2.571 498 HE1 HIS 62 HE1 HIS 62 -9.574 -4.630 -4.732 499 H ALA 63 H ALA 63 -9.994 -9.412 1.444 500 HA ALA 63 HA ALA 63 -11.199 -11.991 0.562 501 HB1 ALA 63 HB1 ALA 63 -10.294 -12.915 2.619 502 HB2 ALA 63 HB2 ALA 63 -8.989 -12.121 1.710 503 HB3 ALA 63 HB3 ALA 63 -9.715 -11.324 3.133 Start of MODEL 16 1 H1 GLY -1 H GLY -1 1.294 -16.021 -6.076 2 HA2 GLY -1 HA1 GLY -1 2.864 -15.997 -4.141 3 HA3 GLY -1 HA2 GLY -1 3.533 -15.285 -5.628 4 HA PRO 0 HA PRO 0 3.734 -12.110 -2.197 5 HB2 PRO 0 HB1 PRO 0 6.408 -11.835 -1.944 6 HB3 PRO 0 HB2 PRO 0 5.506 -13.169 -1.170 7 HG2 PRO 0 HG1 PRO 0 7.067 -13.271 -3.776 8 HG3 PRO 0 HG2 PRO 0 7.117 -14.422 -2.406 9 HD2 PRO 0 HD1 PRO 0 5.571 -14.817 -4.643 10 HD3 PRO 0 HD2 PRO 0 5.088 -15.400 -3.022 11 H MET 1 H MET 1 2.752 -10.903 -3.793 12 HA MET 1 HA MET 1 3.536 -9.850 -6.203 13 HB2 MET 1 HB1 MET 1 1.984 -8.548 -3.939 14 HB3 MET 1 HB2 MET 1 2.107 -7.832 -5.535 15 HG2 MET 1 HG1 MET 1 0.769 -9.435 -6.544 16 HG3 MET 1 HG2 MET 1 1.145 -10.671 -5.350 17 HE1 MET 1 HE1 MET 1 0.001 -6.931 -4.398 18 HE2 MET 1 HE2 MET 1 -0.810 -7.277 -5.946 19 HE3 MET 1 HE3 MET 1 -1.761 -7.146 -4.450 20 H ASN 2 H ASN 2 5.234 -8.612 -6.839 21 HA ASN 2 HA ASN 2 7.107 -7.477 -4.991 22 HB2 ASN 2 HB1 ASN 2 7.531 -8.192 -7.428 23 HB3 ASN 2 HB2 ASN 2 6.730 -6.689 -7.907 24 HD21 ASN 2 HD22 ASN 2 8.176 -4.963 -8.284 25 HD22 ASN 2 HD21 ASN 2 9.606 -4.711 -7.316 26 H ILE 3 H ILE 3 7.688 -5.119 -5.008 27 HA ILE 3 HA ILE 3 5.878 -3.395 -3.952 28 HB ILE 3 HB ILE 3 8.380 -2.928 -5.601 29 HG12 ILE 3 HG11 ILE 3 9.323 -2.165 -3.419 30 HG13 ILE 3 HG12 ILE 3 7.808 -2.578 -2.631 31 HG21 ILE 3 HG21 ILE 3 8.429 -0.567 -4.773 32 HG22 ILE 3 HG22 ILE 3 7.191 -0.882 -5.974 33 HG23 ILE 3 HG23 ILE 3 6.745 -0.748 -4.255 34 HD11 ILE 3 HD11 ILE 3 9.571 -4.600 -4.070 35 HD12 ILE 3 HD12 ILE 3 9.658 -4.235 -2.332 36 HD13 ILE 3 HD13 ILE 3 8.183 -4.934 -3.002 37 H SER 4 H SER 4 6.623 -3.710 -7.425 38 HA SER 4 HA SER 4 5.142 -1.743 -8.563 39 HB2 SER 4 HB1 SER 4 5.237 -4.393 -9.935 40 HB3 SER 4 HB2 SER 4 5.735 -2.790 -10.482 41 HG SER 4 HG SER 4 7.471 -4.250 -10.212 42 H ASP 5 H ASP 5 4.041 -5.110 -7.910 43 HA ASP 5 HA ASP 5 1.386 -4.599 -8.989 44 HB2 ASP 5 HB1 ASP 5 2.714 -6.939 -7.590 45 HB3 ASP 5 HB2 ASP 5 0.966 -6.908 -7.866 46 H ILE 6 H ILE 6 2.881 -4.628 -5.755 47 HA ILE 6 HA ILE 6 0.453 -4.534 -4.248 48 HB ILE 6 HB ILE 6 3.215 -3.381 -3.662 49 HG12 ILE 6 HG11 ILE 6 1.944 -5.904 -2.517 50 HG13 ILE 6 HG12 ILE 6 2.977 -5.920 -3.936 51 HG21 ILE 6 HG21 ILE 6 1.371 -2.294 -2.248 52 HG22 ILE 6 HG22 ILE 6 1.058 -3.910 -1.579 53 HG23 ILE 6 HG23 ILE 6 2.626 -3.122 -1.353 54 HD11 ILE 6 HD11 ILE 6 4.846 -4.940 -2.673 55 HD12 ILE 6 HD12 ILE 6 3.847 -4.902 -1.200 56 HD13 ILE 6 HD13 ILE 6 4.284 -6.437 -1.919 57 H ARG 7 H ARG 7 2.651 -1.849 -5.247 58 HA ARG 7 HA ARG 7 0.890 0.185 -4.427 59 HB2 ARG 7 HB1 ARG 7 2.168 1.722 -5.740 60 HB3 ARG 7 HB2 ARG 7 3.233 0.629 -4.836 61 HG2 ARG 7 HG1 ARG 7 3.351 -0.652 -7.130 62 HG3 ARG 7 HG2 ARG 7 2.691 0.831 -7.807 63 HD2 ARG 7 HD1 ARG 7 4.663 2.030 -6.590 64 HD3 ARG 7 HD2 ARG 7 5.308 0.424 -6.289 65 HE ARG 7 HE ARG 7 5.980 0.270 -8.499 66 HH11 ARG 7 HH11 ARG 7 3.847 3.116 -8.202 67 HH12 ARG 7 HH12 ARG 7 3.633 3.285 -9.899 68 HH21 ARG 7 HH21 ARG 7 6.001 0.732 -10.689 69 HH22 ARG 7 HH22 ARG 7 5.054 2.060 -11.350 70 H ALA 8 H ALA 8 0.960 -1.510 -7.569 71 HA ALA 8 HA ALA 8 -0.693 0.246 -8.991 72 HB1 ALA 8 HB1 ALA 8 -0.491 -2.784 -9.194 73 HB2 ALA 8 HB2 ALA 8 -1.223 -1.707 -10.402 74 HB3 ALA 8 HB3 ALA 8 0.510 -1.588 -10.052 75 H GLY 9 H GLY 9 -1.668 -2.510 -6.860 76 HA2 GLY 9 HA1 GLY 9 -4.446 -2.348 -7.360 77 HA3 GLY 9 HA2 GLY 9 -3.698 -3.012 -5.899 78 H LEU 10 H LEU 10 -2.426 -0.732 -4.928 79 HA LEU 10 HA LEU 10 -4.499 0.545 -3.496 80 HB2 LEU 10 HB1 LEU 10 -1.749 1.705 -3.981 81 HB3 LEU 10 HB2 LEU 10 -2.808 2.063 -2.614 82 HG LEU 10 HG LEU 10 -1.306 -0.509 -3.175 83 HD11 LEU 10 HD11 LEU 10 0.044 1.246 -2.178 84 HD12 LEU 10 HD12 LEU 10 -0.215 -0.071 -1.027 85 HD13 LEU 10 HD13 LEU 10 -1.136 1.443 -0.861 86 HD21 LEU 10 HD21 LEU 10 -3.506 -1.136 -2.292 87 HD22 LEU 10 HD22 LEU 10 -3.305 0.007 -0.948 88 HD23 LEU 10 HD23 LEU 10 -2.244 -1.444 -1.129 89 H ARG 11 H ARG 11 -2.998 1.481 -6.531 90 HA ARG 11 HA ARG 11 -3.986 4.203 -6.522 91 HB2 ARG 11 HB1 ARG 11 -3.668 2.524 -9.038 92 HB3 ARG 11 HB2 ARG 11 -3.588 4.273 -8.847 93 HG2 ARG 11 HG1 ARG 11 -1.483 3.682 -7.293 94 HG3 ARG 11 HG2 ARG 11 -1.560 2.149 -8.174 95 HD2 ARG 11 HD1 ARG 11 -0.100 3.435 -9.451 96 HD3 ARG 11 HD2 ARG 11 -1.646 3.563 -10.318 97 HE ARG 11 HE ARG 11 -1.372 5.641 -8.354 98 HH11 ARG 11 HH11 ARG 11 -0.476 4.860 -11.718 99 HH12 ARG 11 HH12 ARG 11 -0.028 6.472 -12.120 100 HH21 ARG 11 HH21 ARG 11 -0.660 7.693 -8.812 101 HH22 ARG 11 HH22 ARG 11 -0.054 8.149 -10.381 102 H THR 12 H THR 12 -5.257 1.106 -7.823 103 HA THR 12 HA THR 12 -7.661 2.132 -8.834 104 HB THR 12 HB THR 12 -7.213 -0.654 -7.742 105 HG1 THR 12 HG1 THR 12 -6.289 -1.060 -9.851 106 HG21 THR 12 HG21 THR 12 -9.433 -0.018 -8.767 107 HG22 THR 12 HG22 THR 12 -8.617 -1.340 -9.600 108 HG23 THR 12 HG23 THR 12 -8.592 0.303 -10.293 109 H LEU 13 H LEU 13 -6.783 0.915 -5.605 110 HA LEU 13 HA LEU 13 -9.442 0.850 -4.567 111 HB2 LEU 13 HB1 LEU 13 -6.838 1.301 -3.073 112 HB3 LEU 13 HB2 LEU 13 -8.417 1.034 -2.310 113 HG LEU 13 HG LEU 13 -6.901 -0.932 -3.987 114 HD11 LEU 13 HD11 LEU 13 -5.996 -0.609 -1.764 115 HD12 LEU 13 HD12 LEU 13 -6.677 -2.230 -1.991 116 HD13 LEU 13 HD13 LEU 13 -7.596 -1.026 -1.070 117 HD21 LEU 13 HD21 LEU 13 -9.600 -1.260 -2.594 118 HD22 LEU 13 HD22 LEU 13 -8.659 -2.559 -3.364 119 HD23 LEU 13 HD23 LEU 13 -9.326 -1.262 -4.347 120 H VAL 14 H VAL 14 -6.987 3.556 -4.471 121 HA VAL 14 HA VAL 14 -8.950 5.186 -3.061 122 HB VAL 14 HB VAL 14 -7.548 7.077 -3.349 123 HG11 VAL 14 HG11 VAL 14 -6.997 5.500 -1.572 124 HG12 VAL 14 HG12 VAL 14 -5.873 4.637 -2.641 125 HG13 VAL 14 HG13 VAL 14 -5.551 6.324 -2.171 126 HG21 VAL 14 HG21 VAL 14 -5.408 7.040 -4.537 127 HG22 VAL 14 HG22 VAL 14 -5.769 5.400 -5.153 128 HG23 VAL 14 HG23 VAL 14 -6.752 6.793 -5.641 129 H GLU 15 H GLU 15 -8.234 4.590 -6.489 130 HA GLU 15 HA GLU 15 -9.738 6.730 -7.584 131 HB2 GLU 15 HB1 GLU 15 -9.092 3.939 -8.571 132 HB3 GLU 15 HB2 GLU 15 -9.955 5.089 -9.559 133 HG2 GLU 15 HG1 GLU 15 -7.380 6.079 -8.379 134 HG3 GLU 15 HG2 GLU 15 -7.226 4.744 -9.515 135 H ASN 16 H ASN 16 -10.776 3.578 -6.233 136 HA ASN 16 HA ASN 16 -13.599 4.015 -7.029 137 HB2 ASN 16 HB1 ASN 16 -11.969 1.763 -5.837 138 HB3 ASN 16 HB2 ASN 16 -13.731 1.735 -5.775 139 HD21 ASN 16 HD22 ASN 16 -10.928 1.654 -7.957 140 HD22 ASN 16 HD21 ASN 16 -11.870 0.905 -9.266 141 H GLU 17 H GLU 17 -11.651 5.210 -4.620 142 HA GLU 17 HA GLU 17 -11.861 5.991 -2.571 143 HB2 GLU 17 HB1 GLU 17 -14.844 5.925 -3.116 144 HB3 GLU 17 HB2 GLU 17 -14.039 6.824 -1.826 145 HG2 GLU 17 HG1 GLU 17 -12.633 7.975 -3.600 146 HG3 GLU 17 HG2 GLU 17 -13.662 7.214 -4.821 147 H GLU 18 H GLU 18 -12.193 2.956 -3.106 148 HA GLU 18 HA GLU 18 -13.511 1.655 -0.982 149 HB2 GLU 18 HB1 GLU 18 -10.760 0.861 -2.036 150 HB3 GLU 18 HB2 GLU 18 -11.985 -0.193 -1.373 151 HG2 GLU 18 HG1 GLU 18 -13.172 0.971 -3.684 152 HG3 GLU 18 HG2 GLU 18 -11.490 0.751 -4.077 153 H THR 19 H THR 19 -10.622 3.547 -1.089 154 HA THR 19 HA THR 19 -10.222 3.401 1.754 155 HB THR 19 HB THR 19 -8.946 1.461 0.553 156 HG1 THR 19 HG1 THR 19 -8.534 1.804 2.551 157 HG21 THR 19 HG21 THR 19 -6.851 1.894 -0.471 158 HG22 THR 19 HG22 THR 19 -6.951 3.633 -0.062 159 HG23 THR 19 HG23 THR 19 -8.025 2.941 -1.278 160 H THR 20 H THR 20 -8.379 4.952 2.245 161 HA THR 20 HA THR 20 -8.108 7.243 0.401 162 HB THR 20 HB THR 20 -8.399 8.450 2.854 163 HG1 THR 20 HG1 THR 20 -10.439 6.476 2.766 164 HG21 THR 20 HG21 THR 20 -9.545 9.226 0.848 165 HG22 THR 20 HG22 THR 20 -10.702 9.104 2.188 166 HG23 THR 20 HG23 THR 20 -10.660 7.839 0.953 167 H PHE 21 H PHE 21 -6.124 8.466 1.005 168 HA PHE 21 HA PHE 21 -3.949 6.855 1.695 169 HB2 PHE 21 HB1 PHE 21 -4.406 9.850 1.752 170 HB3 PHE 21 HB2 PHE 21 -2.851 9.191 2.155 171 HD1 PHE 21 HD2 PHE 21 -2.058 7.201 0.349 172 HD2 PHE 21 HD1 PHE 21 -4.645 10.564 -0.496 173 HE1 PHE 21 HE2 PHE 21 -1.530 7.011 -2.053 174 HE2 PHE 21 HE1 PHE 21 -4.100 10.363 -2.897 175 HZ PHE 21 HZ PHE 21 -2.533 8.598 -3.688 176 H LYS 22 H LYS 22 -6.013 8.754 3.885 177 HA LYS 22 HA LYS 22 -4.403 8.256 6.239 178 HB2 LYS 22 HB1 LYS 22 -7.347 9.009 5.980 179 HB3 LYS 22 HB2 LYS 22 -6.419 8.896 7.477 180 HG2 LYS 22 HG1 LYS 22 -4.815 10.636 6.506 181 HG3 LYS 22 HG2 LYS 22 -5.950 10.811 5.160 182 HD2 LYS 22 HD1 LYS 22 -6.371 12.556 6.797 183 HD3 LYS 22 HD2 LYS 22 -7.748 11.428 6.815 184 HE2 LYS 22 HE1 LYS 22 -6.737 10.306 8.809 185 HE3 LYS 22 HE2 LYS 22 -5.365 11.424 8.729 186 HZ1 LYS 22 HZ1 LYS 22 -6.936 13.224 9.168 187 HZ2 LYS 22 HZ2 LYS 22 -6.958 12.044 10.358 188 HZ3 LYS 22 HZ3 LYS 22 -8.168 12.157 9.260 189 H GLN 23 H GLN 23 -7.321 6.658 4.862 190 HA GLN 23 HA GLN 23 -7.703 4.837 6.972 191 HB2 GLN 23 HB1 GLN 23 -9.386 5.404 5.268 192 HB3 GLN 23 HB2 GLN 23 -8.429 4.610 4.017 193 HG2 GLN 23 HG1 GLN 23 -10.340 3.250 4.752 194 HG3 GLN 23 HG2 GLN 23 -8.798 2.442 5.036 195 HE21 GLN 23 HE22 GLN 23 -9.838 1.056 6.635 196 HE22 GLN 23 HE21 GLN 23 -9.994 1.694 8.257 197 H ILE 24 H ILE 24 -5.794 4.483 3.918 198 HA ILE 24 HA ILE 24 -5.026 1.792 4.345 199 HB ILE 24 HB ILE 24 -3.334 4.007 3.090 200 HG12 ILE 24 HG11 ILE 24 -5.074 2.008 1.597 201 HG13 ILE 24 HG12 ILE 24 -5.584 3.644 1.964 202 HG21 ILE 24 HG21 ILE 24 -3.197 0.966 2.864 203 HG22 ILE 24 HG22 ILE 24 -2.165 2.082 1.953 204 HG23 ILE 24 HG23 ILE 24 -2.007 1.977 3.691 205 HD11 ILE 24 HD11 ILE 24 -3.622 4.544 0.703 206 HD12 ILE 24 HD12 ILE 24 -3.216 2.879 0.214 207 HD13 ILE 24 HD13 ILE 24 -4.734 3.608 -0.301 208 H ALA 25 H ALA 25 -3.410 4.832 5.331 209 HA ALA 25 HA ALA 25 -1.264 3.699 6.781 210 HB1 ALA 25 HB1 ALA 25 -1.037 6.005 7.631 211 HB2 ALA 25 HB2 ALA 25 -1.394 6.000 5.906 212 HB3 ALA 25 HB3 ALA 25 -2.666 6.391 7.052 213 H LEU 26 H LEU 26 -4.596 4.429 7.815 214 HA LEU 26 HA LEU 26 -4.090 4.226 10.624 215 HB2 LEU 26 HB1 LEU 26 -6.021 5.424 9.595 216 HB3 LEU 26 HB2 LEU 26 -6.693 3.894 9.065 217 HG LEU 26 HG LEU 26 -7.157 3.202 11.319 218 HD11 LEU 26 HD11 LEU 26 -5.211 4.012 12.575 219 HD12 LEU 26 HD12 LEU 26 -6.683 4.667 13.286 220 HD13 LEU 26 HD13 LEU 26 -5.663 5.697 12.260 221 HD21 LEU 26 HD21 LEU 26 -8.743 4.946 11.979 222 HD22 LEU 26 HD22 LEU 26 -8.685 4.881 10.210 223 HD23 LEU 26 HD23 LEU 26 -7.842 6.173 11.056 224 H GLU 27 H GLU 27 -5.443 1.942 8.211 225 HA GLU 27 HA GLU 27 -5.684 -0.239 10.107 226 HB2 GLU 27 HB1 GLU 27 -5.743 0.005 7.109 227 HB3 GLU 27 HB2 GLU 27 -6.027 -1.540 7.916 228 HG2 GLU 27 HG1 GLU 27 -7.696 0.943 8.480 229 HG3 GLU 27 HG2 GLU 27 -8.015 -0.123 7.112 230 H SER 28 H SER 28 -3.219 0.596 7.561 231 HA SER 28 HA SER 28 -1.670 -1.806 8.038 232 HB2 SER 28 HB1 SER 28 -0.013 -0.773 6.579 233 HB3 SER 28 HB2 SER 28 -1.636 -0.620 5.887 234 HG SER 28 HG SER 28 -1.708 1.448 6.396 235 H GLY 29 H GLY 29 -1.766 1.302 9.660 236 HA2 GLY 29 HA1 GLY 29 -0.731 1.843 11.673 237 HA3 GLY 29 HA2 GLY 29 0.327 0.439 11.510 238 H LEU 30 H LEU 30 0.581 1.791 8.568 239 HA LEU 30 HA LEU 30 3.200 2.950 9.061 240 HB2 LEU 30 HB1 LEU 30 1.454 2.822 6.558 241 HB3 LEU 30 HB2 LEU 30 3.131 3.337 6.562 242 HG LEU 30 HG LEU 30 2.212 0.553 7.362 243 HD11 LEU 30 HD11 LEU 30 3.116 -0.119 5.133 244 HD12 LEU 30 HD12 LEU 30 3.356 1.595 4.734 245 HD13 LEU 30 HD13 LEU 30 1.718 0.950 5.022 246 HD21 LEU 30 HD21 LEU 30 4.627 -0.019 7.056 247 HD22 LEU 30 HD22 LEU 30 4.381 1.135 8.369 248 HD23 LEU 30 HD23 LEU 30 4.989 1.700 6.795 249 H SER 31 H SER 31 3.734 5.044 7.887 250 HA SER 31 HA SER 31 2.092 7.202 8.989 251 HB2 SER 31 HB1 SER 31 4.666 7.071 8.922 252 HB3 SER 31 HB2 SER 31 4.548 7.292 7.169 253 HG SER 31 HG SER 31 4.800 9.247 7.865 254 H THR 32 H THR 32 0.989 8.813 7.541 255 HA THR 32 HA THR 32 -0.122 7.648 5.200 256 HB THR 32 HB THR 32 -0.911 9.988 4.679 257 HG1 THR 32 HG1 THR 32 -0.353 11.604 5.853 258 HG21 THR 32 HG21 THR 32 -2.244 8.460 6.021 259 HG22 THR 32 HG22 THR 32 -2.427 10.109 6.633 260 HG23 THR 32 HG23 THR 32 -1.403 8.947 7.510 261 H GLY 33 H GLY 33 2.534 10.000 5.602 262 HA2 GLY 33 HA1 GLY 33 3.155 10.541 2.972 263 HA3 GLY 33 HA2 GLY 33 4.331 10.477 4.286 264 H THR 34 H THR 34 4.264 7.661 4.919 265 HA THR 34 HA THR 34 6.107 6.625 3.147 266 HB THR 34 HB THR 34 4.152 5.117 4.928 267 HG1 THR 34 HG1 THR 34 6.555 5.122 5.936 268 HG21 THR 34 HG21 THR 34 5.779 3.286 4.875 269 HG22 THR 34 HG22 THR 34 6.783 4.201 3.710 270 HG23 THR 34 HG23 THR 34 5.172 3.622 3.259 271 H ILE 35 H ILE 35 2.599 5.715 3.304 272 HA ILE 35 HA ILE 35 2.604 3.942 1.152 273 HB ILE 35 HB ILE 35 0.525 5.775 2.319 274 HG12 ILE 35 HG11 ILE 35 0.512 2.809 2.697 275 HG13 ILE 35 HG12 ILE 35 1.774 3.720 3.548 276 HG21 ILE 35 HG21 ILE 35 -0.343 5.166 0.117 277 HG22 ILE 35 HG22 ILE 35 0.027 3.449 0.413 278 HG23 ILE 35 HG23 ILE 35 -1.223 4.284 1.360 279 HD11 ILE 35 HD11 ILE 35 -1.169 4.397 3.760 280 HD12 ILE 35 HD12 ILE 35 -0.259 3.373 4.894 281 HD13 ILE 35 HD13 ILE 35 0.193 5.078 4.675 282 H SER 36 H SER 36 1.753 7.458 1.025 283 HA SER 36 HA SER 36 1.347 7.506 -1.785 284 HB2 SER 36 HB1 SER 36 2.020 10.022 -1.409 285 HB3 SER 36 HB2 SER 36 0.548 9.342 -0.712 286 HG SER 36 HG SER 36 2.968 9.519 0.767 287 H SER 37 H SER 37 4.347 7.927 0.103 288 HA SER 37 HA SER 37 5.965 8.740 -2.115 289 HB2 SER 37 HB1 SER 37 6.279 9.066 0.406 290 HB3 SER 37 HB2 SER 37 6.901 7.411 0.448 291 HG SER 37 HG SER 37 7.900 9.738 -0.866 292 H PHE 38 H PHE 38 5.451 5.575 -0.489 293 HA PHE 38 HA PHE 38 7.085 3.954 -2.099 294 HB2 PHE 38 HB1 PHE 38 6.197 3.268 0.049 295 HB3 PHE 38 HB2 PHE 38 4.542 3.433 -0.504 296 HD1 PHE 38 HD2 PHE 38 3.554 1.811 -2.137 297 HD2 PHE 38 HD1 PHE 38 7.444 1.231 -0.365 298 HE1 PHE 38 HE2 PHE 38 3.478 -0.586 -2.766 299 HE2 PHE 38 HE1 PHE 38 7.329 -1.178 -0.911 300 HZ PHE 38 HZ PHE 38 5.323 -2.083 -2.150 301 H ILE 39 H ILE 39 3.557 4.738 -2.474 302 HA ILE 39 HA ILE 39 3.134 3.109 -4.669 303 HB ILE 39 HB ILE 39 1.786 5.652 -3.735 304 HG12 ILE 39 HG11 ILE 39 0.820 2.753 -3.850 305 HG13 ILE 39 HG12 ILE 39 1.630 3.435 -2.450 306 HG21 ILE 39 HG21 ILE 39 0.837 3.908 -6.063 307 HG22 ILE 39 HG22 ILE 39 -0.100 5.210 -5.302 308 HG23 ILE 39 HG23 ILE 39 1.361 5.602 -6.172 309 HD11 ILE 39 HD11 ILE 39 -0.689 3.564 -1.967 310 HD12 ILE 39 HD12 ILE 39 -0.198 5.215 -2.374 311 HD13 ILE 39 HD13 ILE 39 -1.075 4.210 -3.561 312 H ASN 40 H ASN 40 4.614 6.312 -4.628 313 HA ASN 40 HA ASN 40 4.728 6.277 -7.597 314 HB2 ASN 40 HB1 ASN 40 5.467 8.441 -5.608 315 HB3 ASN 40 HB2 ASN 40 5.517 8.614 -7.355 316 HD21 ASN 40 HD22 ASN 40 2.962 7.227 -8.022 317 HD22 ASN 40 HD21 ASN 40 1.706 8.222 -7.332 318 H ASP 41 H ASP 41 6.596 4.828 -5.327 319 HA ASP 41 HA ASP 41 8.744 4.191 -5.190 320 HB2 ASP 41 HB1 ASP 41 8.373 3.312 -7.436 321 HB3 ASP 41 HB2 ASP 41 8.873 4.844 -8.159 322 H LYS 42 H LYS 42 8.138 6.647 -4.236 323 HA LYS 42 HA LYS 42 10.477 8.433 -4.824 324 HB2 LYS 42 HB1 LYS 42 7.625 8.975 -3.972 325 HB3 LYS 42 HB2 LYS 42 8.930 10.129 -3.707 326 HG2 LYS 42 HG1 LYS 42 9.524 10.071 -6.099 327 HG3 LYS 42 HG2 LYS 42 8.155 8.986 -6.419 328 HD2 LYS 42 HD1 LYS 42 6.581 10.641 -5.606 329 HD3 LYS 42 HD2 LYS 42 7.882 11.702 -5.077 330 HE2 LYS 42 HE1 LYS 42 7.260 10.965 -7.978 331 HE3 LYS 42 HE2 LYS 42 6.880 12.498 -7.179 332 HZ1 LYS 42 HZ1 LYS 42 9.317 12.716 -6.797 333 HZ2 LYS 42 HZ2 LYS 42 8.824 12.803 -8.386 334 HZ3 LYS 42 HZ3 LYS 42 9.552 11.443 -7.821 335 H TYR 43 H TYR 43 9.327 6.185 -2.679 336 HA TYR 43 HA TYR 43 10.085 7.420 -0.170 337 HB2 TYR 43 HB1 TYR 43 8.269 5.765 -0.348 338 HB3 TYR 43 HB2 TYR 43 9.379 4.564 -0.980 339 HD1 TYR 43 HD1 TYR 43 8.747 6.704 2.077 340 HD2 TYR 43 HD2 TYR 43 10.461 3.074 0.487 341 HE1 TYR 43 HE1 TYR 43 9.266 5.930 4.379 342 HE2 TYR 43 HE2 TYR 43 11.048 2.332 2.732 343 HH TYR 43 HH TYR 43 10.495 4.299 5.670 344 H ASN 44 H ASN 44 11.506 6.130 1.228 345 HA ASN 44 HA ASN 44 14.264 6.205 0.374 346 HB2 ASN 44 HB1 ASN 44 12.999 5.131 2.963 347 HB3 ASN 44 HB2 ASN 44 14.669 5.627 2.752 348 HD21 ASN 44 HD22 ASN 44 11.358 6.815 3.280 349 HD22 ASN 44 HD21 ASN 44 11.834 8.507 3.372 350 H GLY 45 H GLY 45 15.439 4.083 1.699 351 HA2 GLY 45 HA1 GLY 45 14.703 1.787 0.029 352 HA3 GLY 45 HA2 GLY 45 16.116 1.908 1.116 353 H ASP 46 H ASP 46 15.153 -0.343 1.636 354 HA ASP 46 HA ASP 46 14.270 -1.729 3.162 355 HB2 ASP 46 HB1 ASP 46 14.944 0.030 4.878 356 HB3 ASP 46 HB2 ASP 46 13.278 0.588 4.832 357 H ASN 47 H ASN 47 12.997 -0.664 0.882 358 HA ASN 47 HA ASN 47 10.255 -0.167 1.031 359 HB2 ASN 47 HB1 ASN 47 11.578 -1.803 -1.166 360 HB3 ASN 47 HB2 ASN 47 10.101 -0.845 -1.289 361 HD21 ASN 47 HD22 ASN 47 10.381 1.533 -1.836 362 HD22 ASN 47 HD21 ASN 47 11.959 2.248 -1.599 363 H GLU 48 H GLU 48 12.030 -3.163 1.393 364 HA GLU 48 HA GLU 48 10.111 -5.166 1.102 365 HB2 GLU 48 HB1 GLU 48 11.574 -6.420 2.684 366 HB3 GLU 48 HB2 GLU 48 12.371 -5.730 1.271 367 HG2 GLU 48 HG1 GLU 48 13.376 -3.960 2.610 368 HG3 GLU 48 HG2 GLU 48 12.475 -4.459 4.041 369 H ARG 49 H ARG 49 10.965 -3.347 4.104 370 HA ARG 49 HA ARG 49 9.129 -4.603 5.837 371 HB2 ARG 49 HB1 ARG 49 11.028 -3.225 6.566 372 HB3 ARG 49 HB2 ARG 49 10.323 -1.798 5.805 373 HG2 ARG 49 HG1 ARG 49 8.424 -1.883 7.429 374 HG3 ARG 49 HG2 ARG 49 9.213 -3.266 8.233 375 HD2 ARG 49 HD1 ARG 49 11.176 -1.898 8.718 376 HD3 ARG 49 HD2 ARG 49 10.547 -0.571 7.746 377 HE ARG 49 HE ARG 49 9.117 -1.535 10.181 378 HH11 ARG 49 HH11 ARG 49 11.044 1.086 8.642 379 HH12 ARG 49 HH12 ARG 49 10.774 2.195 9.906 380 HH21 ARG 49 HH21 ARG 49 8.580 0.121 11.805 381 HH22 ARG 49 HH22 ARG 49 9.217 1.714 11.608 382 H VAL 50 H VAL 50 8.847 -1.665 3.864 383 HA VAL 50 HA VAL 50 6.177 -0.998 4.656 384 HB VAL 50 HB VAL 50 7.711 -0.255 2.122 385 HG11 VAL 50 HG11 VAL 50 5.291 1.048 3.433 386 HG12 VAL 50 HG12 VAL 50 6.220 1.722 2.069 387 HG13 VAL 50 HG13 VAL 50 5.324 0.219 1.861 388 HG21 VAL 50 HG21 VAL 50 8.984 0.456 4.087 389 HG22 VAL 50 HG22 VAL 50 8.212 1.858 3.356 390 HG23 VAL 50 HG23 VAL 50 7.516 1.141 4.825 391 H SER 51 H SER 51 7.380 -2.622 1.660 392 HA SER 51 HA SER 51 4.894 -3.160 0.530 393 HB2 SER 51 HB1 SER 51 6.127 -5.138 -0.591 394 HB3 SER 51 HB2 SER 51 6.646 -3.479 -0.922 395 HG SER 51 HG SER 51 8.328 -3.761 0.567 396 H GLN 52 H GLN 52 6.735 -5.348 2.802 397 HA GLN 52 HA GLN 52 4.700 -7.328 2.742 398 HB2 GLN 52 HB1 GLN 52 6.861 -6.630 4.763 399 HB3 GLN 52 HB2 GLN 52 5.724 -7.958 5.016 400 HG2 GLN 52 HG1 GLN 52 7.577 -7.685 2.602 401 HG3 GLN 52 HG2 GLN 52 7.836 -8.753 3.984 402 HE21 GLN 52 HE22 GLN 52 7.205 -9.280 0.909 403 HE22 GLN 52 HE21 GLN 52 5.810 -10.333 0.982 404 H THR 53 H THR 53 4.882 -4.317 4.622 405 HA THR 53 HA THR 53 2.687 -5.019 6.366 406 HB THR 53 HB THR 53 3.645 -2.242 5.530 407 HG1 THR 53 HG1 THR 53 5.416 -3.253 6.325 408 HG21 THR 53 HG21 THR 53 2.357 -3.179 8.128 409 HG22 THR 53 HG22 THR 53 1.523 -2.276 6.852 410 HG23 THR 53 HG23 THR 53 2.870 -1.546 7.747 411 H LEU 54 H LEU 54 2.959 -3.368 3.218 412 HA LEU 54 HA LEU 54 0.151 -2.754 2.984 413 HB2 LEU 54 HB1 LEU 54 2.318 -2.987 0.883 414 HB3 LEU 54 HB2 LEU 54 0.713 -2.300 0.608 415 HG LEU 54 HG LEU 54 2.733 -1.165 2.597 416 HD11 LEU 54 HD11 LEU 54 3.138 0.583 0.892 417 HD12 LEU 54 HD12 LEU 54 2.124 -0.326 -0.253 418 HD13 LEU 54 HD13 LEU 54 3.639 -1.028 0.356 419 HD21 LEU 54 HD21 LEU 54 0.366 0.268 1.408 420 HD22 LEU 54 HD22 LEU 54 1.447 0.789 2.707 421 HD23 LEU 54 HD23 LEU 54 0.308 -0.536 2.991 422 H GLN 55 H GLN 55 2.158 -5.545 2.077 423 HA GLN 55 HA GLN 55 0.328 -6.943 0.420 424 HB2 GLN 55 HB1 GLN 55 2.592 -7.845 2.257 425 HB3 GLN 55 HB2 GLN 55 1.658 -9.012 1.362 426 HG2 GLN 55 HG1 GLN 55 2.565 -6.832 -0.364 427 HG3 GLN 55 HG2 GLN 55 3.914 -7.608 0.461 428 HE21 GLN 55 HE22 GLN 55 0.790 -8.802 -1.099 429 HE22 GLN 55 HE21 GLN 55 1.597 -10.098 -1.902 430 H ARG 56 H ARG 56 1.008 -7.301 3.937 431 HA ARG 56 HA ARG 56 -1.092 -9.097 4.565 432 HB2 ARG 56 HB1 ARG 56 0.272 -6.879 6.166 433 HB3 ARG 56 HB2 ARG 56 -0.903 -7.991 6.876 434 HG2 ARG 56 HG1 ARG 56 0.463 -9.894 6.524 435 HG3 ARG 56 HG2 ARG 56 1.596 -9.017 5.475 436 HD2 ARG 56 HD1 ARG 56 2.648 -7.937 7.207 437 HD3 ARG 56 HD2 ARG 56 1.214 -7.898 8.217 438 HE ARG 56 HE ARG 56 3.139 -10.112 7.949 439 HH11 ARG 56 HH11 ARG 56 0.064 -8.954 9.443 440 HH12 ARG 56 HH12 ARG 56 -0.156 -10.379 10.347 441 HH21 ARG 56 HH21 ARG 56 3.003 -11.791 9.395 442 HH22 ARG 56 HH22 ARG 56 1.768 -11.866 10.628 443 H TRP 57 H TRP 57 -1.076 -5.514 4.515 444 HA TRP 57 HA TRP 57 -3.750 -5.214 5.370 445 HB2 TRP 57 HB1 TRP 57 -2.141 -3.439 5.490 446 HB3 TRP 57 HB2 TRP 57 -1.966 -3.412 3.735 447 HD1 TRP 57 HD1 TRP 57 -4.372 -2.320 6.491 448 HE1 TRP 57 HE1 TRP 57 -6.134 -0.731 5.479 449 HE3 TRP 57 HE3 TRP 57 -3.368 -3.026 1.578 450 HZ2 TRP 57 HZ2 TRP 57 -6.817 0.298 2.872 451 HZ3 TRP 57 HZ3 TRP 57 -4.653 -1.844 -0.167 452 HH2 TRP 57 HH2 TRP 57 -6.354 -0.127 0.472 453 H LEU 58 H LEU 58 -2.417 -5.596 2.020 454 HA LEU 58 HA LEU 58 -4.945 -5.192 0.712 455 HB2 LEU 58 HB1 LEU 58 -2.260 -6.262 -0.051 456 HB3 LEU 58 HB2 LEU 58 -3.605 -6.791 -1.056 457 HG LEU 58 HG LEU 58 -3.425 -3.885 -0.397 458 HD11 LEU 58 HD11 LEU 58 -1.699 -5.268 -2.497 459 HD12 LEU 58 HD12 LEU 58 -1.124 -4.420 -1.045 460 HD13 LEU 58 HD13 LEU 58 -1.900 -3.508 -2.357 461 HD21 LEU 58 HD21 LEU 58 -4.319 -5.338 -2.889 462 HD22 LEU 58 HD22 LEU 58 -4.304 -3.577 -2.673 463 HD23 LEU 58 HD23 LEU 58 -5.342 -4.568 -1.653 464 H GLU 59 H GLU 59 -3.331 -8.116 2.010 465 HA GLU 59 HA GLU 59 -5.198 -9.977 0.911 466 HB2 GLU 59 HB1 GLU 59 -3.480 -10.092 3.418 467 HB3 GLU 59 HB2 GLU 59 -4.440 -11.446 2.850 468 HG2 GLU 59 HG1 GLU 59 -2.305 -10.102 1.149 469 HG3 GLU 59 HG2 GLU 59 -1.986 -11.456 2.222 470 H LYS 60 H LYS 60 -5.321 -7.980 3.937 471 HA LYS 60 HA LYS 60 -7.816 -9.267 4.732 472 HB2 LYS 60 HB1 LYS 60 -7.975 -7.685 6.511 473 HB3 LYS 60 HB2 LYS 60 -6.361 -8.388 6.459 474 HG2 LYS 60 HG1 LYS 60 -5.379 -6.424 5.729 475 HG3 LYS 60 HG2 LYS 60 -6.907 -5.666 5.232 476 HD2 LYS 60 HD1 LYS 60 -6.276 -6.302 8.128 477 HD3 LYS 60 HD2 LYS 60 -5.826 -4.768 7.356 478 HE2 LYS 60 HE1 LYS 60 -8.102 -4.228 6.807 479 HE3 LYS 60 HE2 LYS 60 -8.671 -5.826 7.268 480 HZ1 LYS 60 HZ1 LYS 60 -7.963 -5.262 9.563 481 HZ2 LYS 60 HZ2 LYS 60 -9.249 -4.465 8.964 482 HZ3 LYS 60 HZ3 LYS 60 -7.839 -3.654 9.087 483 H TYR 61 H TYR 61 -6.950 -6.501 2.720 484 HA TYR 61 HA TYR 61 -9.573 -5.329 2.746 485 HB2 TYR 61 HB1 TYR 61 -7.013 -4.649 1.702 486 HB3 TYR 61 HB2 TYR 61 -8.067 -4.761 0.323 487 HD1 TYR 61 HD2 TYR 61 -7.908 -3.360 3.808 488 HD2 TYR 61 HD1 TYR 61 -9.430 -2.844 -0.197 489 HE1 TYR 61 HE2 TYR 61 -8.790 -1.138 4.440 490 HE2 TYR 61 HE1 TYR 61 -10.277 -0.615 0.402 491 HH TYR 61 HH TYR 61 -10.757 0.836 2.203 492 H HIS 62 H HIS 62 -7.857 -7.231 0.226 493 HA HIS 62 HA HIS 62 -10.215 -7.686 -1.334 494 HB2 HIS 62 HB1 HIS 62 -7.480 -9.007 -1.254 495 HB3 HIS 62 HB2 HIS 62 -8.735 -9.528 -2.366 496 HD1 HIS 62 HD1 HIS 62 -9.204 -8.024 -4.491 497 HD2 HIS 62 HD2 HIS 62 -6.390 -6.564 -1.719 498 HE1 HIS 62 HE1 HIS 62 -8.046 -6.044 -5.614 499 H ALA 63 H ALA 63 -9.258 -9.515 1.532 500 HA ALA 63 HA ALA 63 -10.372 -12.016 0.649 501 HB1 ALA 63 HB1 ALA 63 -8.814 -12.109 2.430 502 HB2 ALA 63 HB2 ALA 63 -9.773 -10.969 3.428 503 HB3 ALA 63 HB3 ALA 63 -10.376 -12.611 3.088 Start of MODEL 17 1 H1 GLY -1 H GLY -1 3.760 -16.247 -7.874 2 HA2 GLY -1 HA1 GLY -1 3.106 -17.356 -5.206 3 HA3 GLY -1 HA2 GLY -1 4.757 -17.104 -5.821 4 HA PRO 0 HA PRO 0 4.009 -13.287 -3.508 5 HB2 PRO 0 HB1 PRO 0 6.608 -12.324 -3.556 6 HB3 PRO 0 HB2 PRO 0 6.023 -13.587 -2.442 7 HG2 PRO 0 HG1 PRO 0 7.466 -13.946 -5.080 8 HG3 PRO 0 HG2 PRO 0 7.801 -14.742 -3.508 9 HD2 PRO 0 HD1 PRO 0 6.366 -15.960 -5.454 10 HD3 PRO 0 HD2 PRO 0 5.933 -16.163 -3.734 11 H MET 1 H MET 1 4.828 -10.868 -3.969 12 HA MET 1 HA MET 1 4.501 -10.326 -6.890 13 HB2 MET 1 HB1 MET 1 3.123 -9.083 -4.476 14 HB3 MET 1 HB2 MET 1 3.264 -8.257 -6.021 15 HG2 MET 1 HG1 MET 1 2.291 -10.424 -7.058 16 HG3 MET 1 HG2 MET 1 1.755 -10.784 -5.414 17 HE1 MET 1 HE1 MET 1 -0.388 -7.296 -4.947 18 HE2 MET 1 HE2 MET 1 0.665 -8.421 -4.058 19 HE3 MET 1 HE3 MET 1 1.371 -7.137 -5.058 20 H ASN 2 H ASN 2 5.019 -8.155 -7.465 21 HA ASN 2 HA ASN 2 7.671 -7.306 -6.418 22 HB2 ASN 2 HB1 ASN 2 6.126 -7.112 -9.032 23 HB3 ASN 2 HB2 ASN 2 7.208 -5.813 -8.649 24 HD21 ASN 2 HD22 ASN 2 7.095 -9.344 -9.167 25 HD22 ASN 2 HD21 ASN 2 8.797 -9.494 -9.559 26 H ILE 3 H ILE 3 7.998 -4.931 -6.227 27 HA ILE 3 HA ILE 3 6.116 -3.601 -4.612 28 HB ILE 3 HB ILE 3 8.335 -2.526 -6.396 29 HG12 ILE 3 HG11 ILE 3 9.312 -3.965 -4.843 30 HG13 ILE 3 HG12 ILE 3 9.623 -2.330 -4.270 31 HG21 ILE 3 HG21 ILE 3 6.902 -1.007 -4.209 32 HG22 ILE 3 HG22 ILE 3 8.395 -0.493 -5.016 33 HG23 ILE 3 HG23 ILE 3 6.905 -0.637 -5.943 34 HD11 ILE 3 HD11 ILE 3 9.123 -3.688 -2.372 35 HD12 ILE 3 HD12 ILE 3 7.735 -2.624 -2.643 36 HD13 ILE 3 HD13 ILE 3 7.654 -4.335 -3.118 37 H SER 4 H SER 4 6.679 -3.461 -8.073 38 HA SER 4 HA SER 4 4.961 -1.504 -8.970 39 HB2 SER 4 HB1 SER 4 6.571 -2.618 -10.378 40 HB3 SER 4 HB2 SER 4 5.817 -4.194 -10.104 41 HG SER 4 HG SER 4 4.234 -3.737 -11.441 42 H ASP 5 H ASP 5 4.110 -4.974 -8.288 43 HA ASP 5 HA ASP 5 1.406 -4.691 -9.189 44 HB2 ASP 5 HB1 ASP 5 2.377 -6.751 -7.225 45 HB3 ASP 5 HB2 ASP 5 1.061 -6.885 -8.392 46 H ILE 6 H ILE 6 2.993 -4.644 -6.001 47 HA ILE 6 HA ILE 6 0.636 -4.550 -4.414 48 HB ILE 6 HB ILE 6 3.392 -3.389 -3.829 49 HG12 ILE 6 HG11 ILE 6 2.249 -6.074 -2.918 50 HG13 ILE 6 HG12 ILE 6 3.232 -5.916 -4.363 51 HG21 ILE 6 HG21 ILE 6 1.637 -2.474 -2.301 52 HG22 ILE 6 HG22 ILE 6 1.139 -4.130 -1.901 53 HG23 ILE 6 HG23 ILE 6 2.747 -3.535 -1.442 54 HD11 ILE 6 HD11 ILE 6 4.135 -5.309 -1.542 55 HD12 ILE 6 HD12 ILE 6 4.681 -6.608 -2.621 56 HD13 ILE 6 HD13 ILE 6 5.080 -4.929 -3.006 57 H ARG 7 H ARG 7 2.725 -1.821 -5.603 58 HA ARG 7 HA ARG 7 0.882 0.135 -4.653 59 HB2 ARG 7 HB1 ARG 7 1.975 1.775 -6.061 60 HB3 ARG 7 HB2 ARG 7 3.124 0.804 -5.134 61 HG2 ARG 7 HG1 ARG 7 3.638 -0.496 -7.189 62 HG3 ARG 7 HG2 ARG 7 2.504 0.467 -8.112 63 HD2 ARG 7 HD1 ARG 7 4.564 1.968 -6.529 64 HD3 ARG 7 HD2 ARG 7 5.167 1.006 -7.873 65 HE ARG 7 HE ARG 7 3.192 3.230 -7.983 66 HH11 ARG 7 HH11 ARG 7 5.794 1.428 -9.623 67 HH12 ARG 7 HH12 ARG 7 5.781 2.467 -11.006 68 HH21 ARG 7 HH21 ARG 7 3.106 4.501 -9.818 69 HH22 ARG 7 HH22 ARG 7 4.230 4.229 -11.130 70 H ALA 8 H ALA 8 0.933 -1.705 -7.727 71 HA ALA 8 HA ALA 8 -1.071 -0.129 -9.036 72 HB1 ALA 8 HB1 ALA 8 -0.289 -3.031 -9.458 73 HB2 ALA 8 HB2 ALA 8 -1.310 -2.062 -10.534 74 HB3 ALA 8 HB3 ALA 8 0.383 -1.612 -10.298 75 H GLY 9 H GLY 9 -1.282 -2.322 -6.354 76 HA2 GLY 9 HA1 GLY 9 -4.058 -3.070 -6.805 77 HA3 GLY 9 HA2 GLY 9 -3.050 -3.456 -5.405 78 H LEU 10 H LEU 10 -2.208 -1.314 -4.323 79 HA LEU 10 HA LEU 10 -4.313 -0.090 -2.955 80 HB2 LEU 10 HB1 LEU 10 -1.685 1.314 -3.446 81 HB3 LEU 10 HB2 LEU 10 -2.732 1.480 -2.052 82 HG LEU 10 HG LEU 10 -1.215 -1.076 -2.676 83 HD11 LEU 10 HD11 LEU 10 -0.526 1.129 -0.715 84 HD12 LEU 10 HD12 LEU 10 0.338 0.762 -2.229 85 HD13 LEU 10 HD13 LEU 10 0.299 -0.440 -0.931 86 HD21 LEU 10 HD21 LEU 10 -1.738 -1.655 -0.339 87 HD22 LEU 10 HD22 LEU 10 -3.191 -1.443 -1.316 88 HD23 LEU 10 HD23 LEU 10 -2.703 -0.163 -0.183 89 H ARG 11 H ARG 11 -2.737 1.099 -5.929 90 HA ARG 11 HA ARG 11 -3.881 3.704 -5.811 91 HB2 ARG 11 HB1 ARG 11 -3.270 4.047 -8.047 92 HB3 ARG 11 HB2 ARG 11 -1.989 3.058 -7.330 93 HG2 ARG 11 HG1 ARG 11 -3.085 1.040 -8.360 94 HG3 ARG 11 HG2 ARG 11 -4.241 2.117 -9.171 95 HD2 ARG 11 HD1 ARG 11 -2.448 3.224 -10.372 96 HD3 ARG 11 HD2 ARG 11 -1.243 2.197 -9.574 97 HE ARG 11 HE ARG 11 -3.212 0.515 -10.728 98 HH11 ARG 11 HH11 ARG 11 -0.915 2.915 -12.001 99 HH12 ARG 11 HH12 ARG 11 -0.948 2.285 -13.596 100 HH21 ARG 11 HH21 ARG 11 -2.979 -0.530 -12.732 101 HH22 ARG 11 HH22 ARG 11 -2.329 0.388 -14.053 102 H THR 12 H THR 12 -5.158 0.621 -7.223 103 HA THR 12 HA THR 12 -7.418 1.734 -8.433 104 HB THR 12 HB THR 12 -7.380 -0.967 -7.057 105 HG1 THR 12 HG1 THR 12 -6.011 -1.702 -8.367 106 HG21 THR 12 HG21 THR 12 -8.507 -0.017 -9.736 107 HG22 THR 12 HG22 THR 12 -9.450 -0.391 -8.270 108 HG23 THR 12 HG23 THR 12 -8.580 -1.683 -9.113 109 H LEU 13 H LEU 13 -6.890 0.547 -5.104 110 HA LEU 13 HA LEU 13 -9.493 0.868 -4.136 111 HB2 LEU 13 HB1 LEU 13 -6.770 0.958 -2.805 112 HB3 LEU 13 HB2 LEU 13 -8.186 1.398 -1.903 113 HG LEU 13 HG LEU 13 -7.538 -0.867 -1.445 114 HD11 LEU 13 HD11 LEU 13 -10.158 -0.838 -2.973 115 HD12 LEU 13 HD12 LEU 13 -9.916 -0.308 -1.281 116 HD13 LEU 13 HD13 LEU 13 -9.683 -1.995 -1.767 117 HD21 LEU 13 HD21 LEU 13 -8.167 -1.568 -4.323 118 HD22 LEU 13 HD22 LEU 13 -7.791 -2.686 -3.005 119 HD23 LEU 13 HD23 LEU 13 -6.547 -1.556 -3.569 120 H VAL 14 H VAL 14 -6.842 3.325 -4.145 121 HA VAL 14 HA VAL 14 -8.703 5.291 -3.020 122 HB VAL 14 HB VAL 14 -6.901 6.927 -3.283 123 HG11 VAL 14 HG11 VAL 14 -5.398 5.862 -1.654 124 HG12 VAL 14 HG12 VAL 14 -7.087 5.470 -1.303 125 HG13 VAL 14 HG13 VAL 14 -6.052 4.255 -2.082 126 HG21 VAL 14 HG21 VAL 14 -4.661 6.261 -4.025 127 HG22 VAL 14 HG22 VAL 14 -5.258 4.651 -4.455 128 HG23 VAL 14 HG23 VAL 14 -5.810 6.071 -5.354 129 H GLU 15 H GLU 15 -7.707 4.507 -6.331 130 HA GLU 15 HA GLU 15 -8.780 6.845 -7.584 131 HB2 GLU 15 HB1 GLU 15 -8.180 4.006 -8.511 132 HB3 GLU 15 HB2 GLU 15 -8.761 5.241 -9.624 133 HG2 GLU 15 HG1 GLU 15 -6.277 5.762 -7.944 134 HG3 GLU 15 HG2 GLU 15 -6.200 4.787 -9.414 135 H ASN 16 H ASN 16 -10.228 3.810 -6.514 136 HA ASN 16 HA ASN 16 -12.813 4.469 -7.842 137 HB2 ASN 16 HB1 ASN 16 -11.765 1.939 -6.513 138 HB3 ASN 16 HB2 ASN 16 -13.445 2.161 -6.983 139 HD21 ASN 16 HD22 ASN 16 -10.148 2.224 -8.281 140 HD22 ASN 16 HD21 ASN 16 -10.547 1.829 -9.948 141 H GLU 17 H GLU 17 -11.312 5.485 -5.174 142 HA GLU 17 HA GLU 17 -11.827 6.213 -3.138 143 HB2 GLU 17 HB1 GLU 17 -14.573 6.584 -4.378 144 HB3 GLU 17 HB2 GLU 17 -14.029 7.300 -2.853 145 HG2 GLU 17 HG1 GLU 17 -12.132 8.391 -4.044 146 HG3 GLU 17 HG2 GLU 17 -12.748 7.769 -5.578 147 H GLU 18 H GLU 18 -11.841 3.398 -3.454 148 HA GLU 18 HA GLU 18 -13.923 2.077 -1.972 149 HB2 GLU 18 HB1 GLU 18 -11.005 1.406 -2.426 150 HB3 GLU 18 HB2 GLU 18 -12.183 0.293 -1.788 151 HG2 GLU 18 HG1 GLU 18 -12.675 1.603 -4.486 152 HG3 GLU 18 HG2 GLU 18 -11.515 0.305 -4.384 153 H THR 19 H THR 19 -10.971 3.852 -1.144 154 HA THR 19 HA THR 19 -11.698 4.177 1.583 155 HB THR 19 HB THR 19 -10.757 1.810 1.497 156 HG1 THR 19 HG1 THR 19 -10.908 2.868 3.371 157 HG21 THR 19 HG21 THR 19 -8.882 2.202 -0.045 158 HG22 THR 19 HG22 THR 19 -8.367 1.494 1.496 159 HG23 THR 19 HG23 THR 19 -8.082 3.216 1.172 160 H THR 20 H THR 20 -9.475 5.167 2.693 161 HA THR 20 HA THR 20 -8.448 7.212 0.763 162 HB THR 20 HB THR 20 -8.358 8.680 2.838 163 HG1 THR 20 HG1 THR 20 -10.320 6.998 3.958 164 HG21 THR 20 HG21 THR 20 -10.684 9.365 2.746 165 HG22 THR 20 HG22 THR 20 -11.118 7.860 1.887 166 HG23 THR 20 HG23 THR 20 -10.004 9.032 1.134 167 H PHE 21 H PHE 21 -6.426 8.177 1.390 168 HA PHE 21 HA PHE 21 -4.364 6.314 2.013 169 HB2 PHE 21 HB1 PHE 21 -4.626 9.303 1.746 170 HB3 PHE 21 HB2 PHE 21 -3.163 8.673 2.514 171 HD1 PHE 21 HD1 PHE 21 -5.095 8.735 -0.656 172 HD2 PHE 21 HD2 PHE 21 -1.495 7.388 1.298 173 HE1 PHE 21 HE1 PHE 21 -4.118 8.199 -2.844 174 HE2 PHE 21 HE2 PHE 21 -0.541 6.794 -0.906 175 HZ PHE 21 HZ PHE 21 -1.836 7.204 -2.994 176 H LYS 22 H LYS 22 -6.258 8.527 4.041 177 HA LYS 22 HA LYS 22 -4.671 8.323 6.405 178 HB2 LYS 22 HB1 LYS 22 -6.864 9.808 5.693 179 HB3 LYS 22 HB2 LYS 22 -7.662 8.604 6.682 180 HG2 LYS 22 HG1 LYS 22 -5.312 10.359 7.500 181 HG3 LYS 22 HG2 LYS 22 -6.990 10.657 7.899 182 HD2 LYS 22 HD1 LYS 22 -5.328 8.303 8.895 183 HD3 LYS 22 HD2 LYS 22 -5.656 9.767 9.789 184 HE2 LYS 22 HE1 LYS 22 -7.761 7.726 8.939 185 HE3 LYS 22 HE2 LYS 22 -7.067 7.936 10.547 186 HZ1 LYS 22 HZ1 LYS 22 -8.938 9.684 9.146 187 HZ2 LYS 22 HZ2 LYS 22 -7.962 10.311 10.352 188 HZ3 LYS 22 HZ3 LYS 22 -9.005 9.087 10.663 189 H GLN 23 H GLN 23 -7.509 6.460 5.187 190 HA GLN 23 HA GLN 23 -7.622 4.745 7.423 191 HB2 GLN 23 HB1 GLN 23 -9.375 5.249 5.554 192 HB3 GLN 23 HB2 GLN 23 -8.508 4.037 4.611 193 HG2 GLN 23 HG1 GLN 23 -10.463 3.069 5.787 194 HG3 GLN 23 HG2 GLN 23 -8.957 2.360 6.381 195 HE21 GLN 23 HE22 GLN 23 -10.153 1.793 8.352 196 HE22 GLN 23 HE21 GLN 23 -10.332 3.037 9.618 197 H ILE 24 H ILE 24 -6.057 4.278 4.187 198 HA ILE 24 HA ILE 24 -5.098 1.678 4.681 199 HB ILE 24 HB ILE 24 -3.662 3.863 3.110 200 HG12 ILE 24 HG11 ILE 24 -5.451 1.687 1.965 201 HG13 ILE 24 HG12 ILE 24 -6.080 3.261 2.377 202 HG21 ILE 24 HG21 ILE 24 -2.198 1.889 3.637 203 HG22 ILE 24 HG22 ILE 24 -3.432 0.808 2.971 204 HG23 ILE 24 HG23 ILE 24 -2.567 1.949 1.919 205 HD11 ILE 24 HD11 ILE 24 -3.905 2.709 0.324 206 HD12 ILE 24 HD12 ILE 24 -5.574 3.217 0.026 207 HD13 ILE 24 HD13 ILE 24 -4.441 4.328 0.824 208 H ALA 25 H ALA 25 -3.590 4.853 5.541 209 HA ALA 25 HA ALA 25 -1.215 3.791 6.717 210 HB1 ALA 25 HB1 ALA 25 -1.626 6.168 6.079 211 HB2 ALA 25 HB2 ALA 25 -2.791 6.302 7.403 212 HB3 ALA 25 HB3 ALA 25 -1.084 6.003 7.765 213 H LEU 26 H LEU 26 -4.334 4.727 8.201 214 HA LEU 26 HA LEU 26 -3.596 4.162 10.849 215 HB2 LEU 26 HB1 LEU 26 -5.576 5.508 10.007 216 HB3 LEU 26 HB2 LEU 26 -6.362 3.986 9.570 217 HG LEU 26 HG LEU 26 -6.291 3.303 11.985 218 HD11 LEU 26 HD11 LEU 26 -5.133 6.122 12.301 219 HD12 LEU 26 HD12 LEU 26 -4.413 4.587 12.850 220 HD13 LEU 26 HD13 LEU 26 -5.863 5.215 13.624 221 HD21 LEU 26 HD21 LEU 26 -7.621 5.992 11.477 222 HD22 LEU 26 HD22 LEU 26 -8.087 4.781 12.688 223 HD23 LEU 26 HD23 LEU 26 -8.255 4.406 10.971 224 H GLU 27 H GLU 27 -5.035 2.044 8.390 225 HA GLU 27 HA GLU 27 -5.378 -0.196 10.206 226 HB2 GLU 27 HB1 GLU 27 -5.514 0.118 7.188 227 HB3 GLU 27 HB2 GLU 27 -5.951 -1.356 8.057 228 HG2 GLU 27 HG1 GLU 27 -7.332 1.301 8.658 229 HG3 GLU 27 HG2 GLU 27 -7.826 0.277 7.322 230 H SER 28 H SER 28 -3.054 0.624 7.548 231 HA SER 28 HA SER 28 -1.580 -1.854 7.843 232 HB2 SER 28 HB1 SER 28 0.032 -0.847 6.327 233 HB3 SER 28 HB2 SER 28 -1.608 -0.518 5.750 234 HG SER 28 HG SER 28 -1.495 1.505 6.412 235 H GLY 29 H GLY 29 -1.436 1.285 9.414 236 HA2 GLY 29 HA1 GLY 29 -0.439 1.829 11.395 237 HA3 GLY 29 HA2 GLY 29 0.529 0.345 11.351 238 H LEU 30 H LEU 30 0.636 1.878 8.305 239 HA LEU 30 HA LEU 30 3.408 2.799 8.774 240 HB2 LEU 30 HB1 LEU 30 1.680 2.787 6.271 241 HB3 LEU 30 HB2 LEU 30 3.378 3.190 6.296 242 HG LEU 30 HG LEU 30 2.374 0.448 7.156 243 HD11 LEU 30 HD11 LEU 30 3.099 -0.292 4.886 244 HD12 LEU 30 HD12 LEU 30 3.247 1.419 4.414 245 HD13 LEU 30 HD13 LEU 30 1.671 0.758 4.879 246 HD21 LEU 30 HD21 LEU 30 4.646 1.049 7.932 247 HD22 LEU 30 HD22 LEU 30 5.115 1.475 6.275 248 HD23 LEU 30 HD23 LEU 30 4.725 -0.206 6.699 249 H SER 31 H SER 31 4.017 4.905 7.813 250 HA SER 31 HA SER 31 2.313 7.008 8.853 251 HB2 SER 31 HB1 SER 31 4.712 7.216 8.989 252 HB3 SER 31 HB2 SER 31 4.887 7.090 7.237 253 HG SER 31 HG SER 31 4.905 9.268 8.302 254 H THR 32 H THR 32 1.012 8.445 7.749 255 HA THR 32 HA THR 32 -0.231 7.693 5.330 256 HB THR 32 HB THR 32 -0.777 10.355 5.570 257 HG1 THR 32 HG1 THR 32 0.592 10.883 7.235 258 HG21 THR 32 HG21 THR 32 -1.759 8.309 7.552 259 HG22 THR 32 HG22 THR 32 -2.350 8.479 5.873 260 HG23 THR 32 HG23 THR 32 -2.617 9.780 7.062 261 H GLY 33 H GLY 33 2.593 9.753 5.820 262 HA2 GLY 33 HA1 GLY 33 2.419 10.743 3.089 263 HA3 GLY 33 HA2 GLY 33 3.752 10.969 4.215 264 H THR 34 H THR 34 4.174 8.251 4.892 265 HA THR 34 HA THR 34 6.018 7.416 2.940 266 HB THR 34 HB THR 34 4.733 6.043 5.305 267 HG1 THR 34 HG1 THR 34 7.042 7.528 4.726 268 HG21 THR 34 HG21 THR 34 6.858 4.901 3.491 269 HG22 THR 34 HG22 THR 34 5.365 4.154 4.067 270 HG23 THR 34 HG23 THR 34 6.693 4.438 5.206 271 H ILE 35 H ILE 35 2.636 6.166 3.449 272 HA ILE 35 HA ILE 35 2.826 4.161 1.448 273 HB ILE 35 HB ILE 35 0.528 5.929 2.322 274 HG12 ILE 35 HG11 ILE 35 1.031 2.999 3.059 275 HG13 ILE 35 HG12 ILE 35 1.759 4.291 4.005 276 HG21 ILE 35 HG21 ILE 35 0.387 3.276 0.777 277 HG22 ILE 35 HG22 ILE 35 -1.014 4.169 1.397 278 HG23 ILE 35 HG23 ILE 35 -0.034 4.867 0.128 279 HD11 ILE 35 HD11 ILE 35 -0.336 5.190 4.636 280 HD12 ILE 35 HD12 ILE 35 -1.240 4.106 3.559 281 HD13 ILE 35 HD13 ILE 35 -0.346 3.423 4.920 282 H SER 36 H SER 36 1.888 7.651 1.186 283 HA SER 36 HA SER 36 1.350 7.559 -1.588 284 HB2 SER 36 HB1 SER 36 2.672 10.063 -0.636 285 HB3 SER 36 HB2 SER 36 1.117 9.825 -1.431 286 HG SER 36 HG SER 36 1.830 9.737 1.275 287 H SER 37 H SER 37 4.573 8.143 0.066 288 HA SER 37 HA SER 37 5.929 8.724 -2.338 289 HB2 SER 37 HB1 SER 37 7.649 7.452 -0.454 290 HB3 SER 37 HB2 SER 37 7.469 9.169 -0.858 291 HG SER 37 HG SER 37 6.184 9.489 0.805 292 H PHE 38 H PHE 38 5.401 5.694 -0.494 293 HA PHE 38 HA PHE 38 6.872 3.938 -2.114 294 HB2 PHE 38 HB1 PHE 38 6.016 3.346 0.089 295 HB3 PHE 38 HB2 PHE 38 4.355 3.479 -0.462 296 HD1 PHE 38 HD1 PHE 38 7.406 1.411 -0.537 297 HD2 PHE 38 HD2 PHE 38 3.319 1.748 -1.872 298 HE1 PHE 38 HE1 PHE 38 7.465 -0.924 -1.279 299 HE2 PHE 38 HE2 PHE 38 3.394 -0.592 -2.690 300 HZ PHE 38 HZ PHE 38 5.461 -1.927 -2.443 301 H ILE 39 H ILE 39 3.411 4.886 -2.400 302 HA ILE 39 HA ILE 39 2.936 3.255 -4.684 303 HB ILE 39 HB ILE 39 1.452 5.700 -3.650 304 HG12 ILE 39 HG11 ILE 39 0.936 2.697 -3.504 305 HG13 ILE 39 HG12 ILE 39 1.530 3.650 -2.173 306 HG21 ILE 39 HG21 ILE 39 -0.431 4.917 -5.138 307 HG22 ILE 39 HG22 ILE 39 0.959 5.447 -6.059 308 HG23 ILE 39 HG23 ILE 39 0.670 3.711 -5.848 309 HD11 ILE 39 HD11 ILE 39 -0.774 3.337 -1.773 310 HD12 ILE 39 HD12 ILE 39 -0.614 5.014 -2.329 311 HD13 ILE 39 HD13 ILE 39 -1.207 3.754 -3.434 312 H ASN 40 H ASN 40 4.342 6.511 -4.392 313 HA ASN 40 HA ASN 40 4.213 6.854 -7.319 314 HB2 ASN 40 HB1 ASN 40 4.000 8.750 -5.621 315 HB3 ASN 40 HB2 ASN 40 5.742 8.592 -5.353 316 HD21 ASN 40 HD22 ASN 40 3.366 8.807 -8.089 317 HD22 ASN 40 HD21 ASN 40 4.261 10.026 -8.974 318 H ASP 41 H ASP 41 6.032 4.901 -5.390 319 HA ASP 41 HA ASP 41 7.830 3.665 -5.638 320 HB2 ASP 41 HB1 ASP 41 7.243 3.481 -7.996 321 HB3 ASP 41 HB2 ASP 41 8.191 4.925 -8.364 322 H LYS 42 H LYS 42 7.806 6.674 -4.856 323 HA LYS 42 HA LYS 42 10.654 7.387 -4.992 324 HB2 LYS 42 HB1 LYS 42 8.202 8.839 -3.911 325 HB3 LYS 42 HB2 LYS 42 9.829 9.506 -3.884 326 HG2 LYS 42 HG1 LYS 42 8.300 8.787 -6.401 327 HG3 LYS 42 HG2 LYS 42 8.542 10.404 -5.736 328 HD2 LYS 42 HD1 LYS 42 11.077 9.967 -5.964 329 HD3 LYS 42 HD2 LYS 42 10.628 8.534 -6.915 330 HE2 LYS 42 HE1 LYS 42 9.227 10.092 -8.372 331 HE3 LYS 42 HE2 LYS 42 9.968 11.451 -7.505 332 HZ1 LYS 42 HZ1 LYS 42 12.135 10.617 -8.250 333 HZ2 LYS 42 HZ2 LYS 42 11.149 10.968 -9.538 334 HZ3 LYS 42 HZ3 LYS 42 11.398 9.409 -9.092 335 H TYR 43 H TYR 43 9.363 5.142 -3.022 336 HA TYR 43 HA TYR 43 10.433 6.349 -0.531 337 HB2 TYR 43 HB1 TYR 43 8.302 4.969 -0.592 338 HB3 TYR 43 HB2 TYR 43 9.331 3.562 -0.841 339 HD1 TYR 43 HD1 TYR 43 8.478 6.397 1.444 340 HD2 TYR 43 HD2 TYR 43 10.733 2.726 1.044 341 HE1 TYR 43 HE1 TYR 43 8.957 6.408 3.869 342 HE2 TYR 43 HE2 TYR 43 11.164 2.740 3.450 343 HH TYR 43 HH TYR 43 10.537 5.424 5.514 344 H ASN 44 H ASN 44 12.205 5.233 0.583 345 HA ASN 44 HA ASN 44 13.930 3.417 -0.957 346 HB2 ASN 44 HB1 ASN 44 14.649 5.585 -1.784 347 HB3 ASN 44 HB2 ASN 44 14.740 6.231 -0.138 348 HD21 ASN 44 HD22 ASN 44 16.961 6.675 0.004 349 HD22 ASN 44 HD21 ASN 44 18.194 5.451 -0.230 350 H GLY 45 H GLY 45 15.465 2.410 0.425 351 HA2 GLY 45 HA1 GLY 45 16.579 1.895 2.367 352 HA3 GLY 45 HA2 GLY 45 15.636 3.116 3.236 353 H ASP 46 H ASP 46 13.092 2.286 3.069 354 HA ASP 46 HA ASP 46 13.143 -0.417 4.392 355 HB2 ASP 46 HB1 ASP 46 12.211 2.200 5.345 356 HB3 ASP 46 HB2 ASP 46 10.969 0.971 5.486 357 H ASN 47 H ASN 47 12.533 0.433 1.547 358 HA ASN 47 HA ASN 47 9.913 0.273 0.813 359 HB2 ASN 47 HB1 ASN 47 12.235 -1.098 -0.575 360 HB3 ASN 47 HB2 ASN 47 10.680 -0.731 -1.311 361 HD21 ASN 47 HD22 ASN 47 11.364 0.835 -2.893 362 HD22 ASN 47 HD21 ASN 47 11.967 2.397 -2.395 363 H GLU 48 H GLU 48 12.032 -2.600 1.456 364 HA GLU 48 HA GLU 48 9.970 -4.475 0.806 365 HB2 GLU 48 HB1 GLU 48 12.278 -5.175 0.839 366 HB3 GLU 48 HB2 GLU 48 12.441 -4.789 2.564 367 HG2 GLU 48 HG1 GLU 48 10.854 -6.528 3.182 368 HG3 GLU 48 HG2 GLU 48 10.406 -6.799 1.497 369 H ARG 49 H ARG 49 10.953 -3.004 3.972 370 HA ARG 49 HA ARG 49 9.104 -4.598 5.432 371 HB2 ARG 49 HB1 ARG 49 11.038 -3.289 6.412 372 HB3 ARG 49 HB2 ARG 49 10.100 -1.810 6.169 373 HG2 ARG 49 HG1 ARG 49 9.930 -2.568 8.477 374 HG3 ARG 49 HG2 ARG 49 8.346 -2.671 7.703 375 HD2 ARG 49 HD1 ARG 49 8.619 -5.113 7.416 376 HD3 ARG 49 HD2 ARG 49 10.261 -5.025 8.061 377 HE ARG 49 HE ARG 49 7.732 -4.422 9.544 378 HH11 ARG 49 HH11 ARG 49 11.009 -5.866 9.679 379 HH12 ARG 49 HH12 ARG 49 10.986 -5.978 11.398 380 HH21 ARG 49 HH21 ARG 49 7.770 -4.499 11.717 381 HH22 ARG 49 HH22 ARG 49 9.100 -5.145 12.634 382 H VAL 50 H VAL 50 8.787 -1.427 3.870 383 HA VAL 50 HA VAL 50 6.118 -0.859 4.725 384 HB VAL 50 HB VAL 50 7.798 0.006 2.340 385 HG11 VAL 50 HG11 VAL 50 5.494 0.370 1.661 386 HG12 VAL 50 HG12 VAL 50 5.116 1.143 3.213 387 HG13 VAL 50 HG13 VAL 50 6.227 1.922 2.067 388 HG21 VAL 50 HG21 VAL 50 7.006 1.517 4.872 389 HG22 VAL 50 HG22 VAL 50 8.572 0.738 4.617 390 HG23 VAL 50 HG23 VAL 50 8.092 2.088 3.586 391 H SER 51 H SER 51 7.383 -2.424 1.683 392 HA SER 51 HA SER 51 4.878 -2.921 0.553 393 HB2 SER 51 HB1 SER 51 6.003 -4.356 -0.965 394 HB3 SER 51 HB2 SER 51 7.087 -3.033 -0.576 395 HG SER 51 HG SER 51 7.298 -5.746 -0.041 396 H GLN 52 H GLN 52 6.845 -5.090 2.636 397 HA GLN 52 HA GLN 52 5.068 -7.260 2.744 398 HB2 GLN 52 HB1 GLN 52 7.074 -6.149 4.750 399 HB3 GLN 52 HB2 GLN 52 6.233 -7.671 4.998 400 HG2 GLN 52 HG1 GLN 52 7.889 -7.145 2.489 401 HG3 GLN 52 HG2 GLN 52 8.561 -7.818 3.970 402 HE21 GLN 52 HE22 GLN 52 6.676 -8.496 1.103 403 HE22 GLN 52 HE21 GLN 52 6.329 -10.170 1.450 404 H THR 53 H THR 53 4.947 -4.198 4.623 405 HA THR 53 HA THR 53 2.827 -5.199 6.360 406 HB THR 53 HB THR 53 4.100 -2.489 5.837 407 HG1 THR 53 HG1 THR 53 4.796 -2.981 8.025 408 HG21 THR 53 HG21 THR 53 1.796 -2.073 6.591 409 HG22 THR 53 HG22 THR 53 2.950 -1.684 7.864 410 HG23 THR 53 HG23 THR 53 2.020 -3.185 7.955 411 H LEU 54 H LEU 54 3.037 -3.405 3.267 412 HA LEU 54 HA LEU 54 0.228 -2.740 3.164 413 HB2 LEU 54 HB1 LEU 54 2.429 -2.859 1.060 414 HB3 LEU 54 HB2 LEU 54 0.785 -2.358 0.694 415 HG LEU 54 HG LEU 54 2.461 -0.990 2.830 416 HD11 LEU 54 HD11 LEU 54 3.662 -0.795 0.746 417 HD12 LEU 54 HD12 LEU 54 2.977 0.763 1.225 418 HD13 LEU 54 HD13 LEU 54 2.226 -0.185 -0.075 419 HD21 LEU 54 HD21 LEU 54 0.858 0.882 2.418 420 HD22 LEU 54 HD22 LEU 54 0.116 -0.554 3.117 421 HD23 LEU 54 HD23 LEU 54 -0.098 -0.207 1.393 422 H GLN 55 H GLN 55 2.213 -5.462 2.034 423 HA GLN 55 HA GLN 55 0.347 -6.742 0.384 424 HB2 GLN 55 HB1 GLN 55 2.568 -7.881 2.151 425 HB3 GLN 55 HB2 GLN 55 1.634 -8.851 1.036 426 HG2 GLN 55 HG1 GLN 55 2.501 -6.648 -0.514 427 HG3 GLN 55 HG2 GLN 55 3.874 -7.068 0.500 428 HE21 GLN 55 HE22 GLN 55 1.383 -9.129 -1.173 429 HE22 GLN 55 HE21 GLN 55 2.559 -10.113 -1.997 430 H ARG 56 H ARG 56 0.921 -7.208 3.884 431 HA ARG 56 HA ARG 56 -1.139 -9.110 4.327 432 HB2 ARG 56 HB1 ARG 56 0.061 -6.994 6.169 433 HB3 ARG 56 HB2 ARG 56 -1.045 -8.267 6.710 434 HG2 ARG 56 HG1 ARG 56 0.517 -10.014 6.056 435 HG3 ARG 56 HG2 ARG 56 1.627 -8.826 5.339 436 HD2 ARG 56 HD1 ARG 56 1.958 -7.740 7.498 437 HD3 ARG 56 HD2 ARG 56 0.736 -8.775 8.248 438 HE ARG 56 HE ARG 56 2.207 -10.458 8.446 439 HH11 ARG 56 HH11 ARG 56 3.649 -8.239 5.998 440 HH12 ARG 56 HH12 ARG 56 5.258 -8.862 6.318 441 HH21 ARG 56 HH21 ARG 56 4.398 -11.189 8.724 442 HH22 ARG 56 HH22 ARG 56 5.649 -10.527 7.720 443 H TRP 57 H TRP 57 -1.201 -5.523 4.426 444 HA TRP 57 HA TRP 57 -3.890 -5.318 5.359 445 HB2 TRP 57 HB1 TRP 57 -2.357 -3.421 5.475 446 HB3 TRP 57 HB2 TRP 57 -2.216 -3.379 3.719 447 HD1 TRP 57 HD1 TRP 57 -4.869 -2.762 6.484 448 HE1 TRP 57 HE1 TRP 57 -6.754 -1.420 5.587 449 HE3 TRP 57 HE3 TRP 57 -3.484 -2.644 1.563 450 HZ2 TRP 57 HZ2 TRP 57 -7.499 -0.126 3.082 451 HZ3 TRP 57 HZ3 TRP 57 -4.988 -1.514 -0.094 452 HH2 TRP 57 HH2 TRP 57 -6.962 -0.250 0.672 453 H LEU 58 H LEU 58 -2.498 -5.274 2.016 454 HA LEU 58 HA LEU 58 -4.987 -5.081 0.738 455 HB2 LEU 58 HB1 LEU 58 -2.235 -5.483 -0.076 456 HB3 LEU 58 HB2 LEU 58 -3.245 -6.604 -0.977 457 HG LEU 58 HG LEU 58 -3.919 -3.660 -0.668 458 HD11 LEU 58 HD11 LEU 58 -3.023 -3.357 -2.961 459 HD12 LEU 58 HD12 LEU 58 -2.489 -5.049 -2.969 460 HD13 LEU 58 HD13 LEU 58 -1.742 -3.892 -1.847 461 HD21 LEU 58 HD21 LEU 58 -5.293 -4.009 -2.706 462 HD22 LEU 58 HD22 LEU 58 -5.840 -4.934 -1.311 463 HD23 LEU 58 HD23 LEU 58 -4.930 -5.744 -2.616 464 H GLU 59 H GLU 59 -3.375 -7.959 2.015 465 HA GLU 59 HA GLU 59 -5.141 -9.857 0.704 466 HB2 GLU 59 HB1 GLU 59 -3.127 -9.946 2.958 467 HB3 GLU 59 HB2 GLU 59 -4.265 -11.293 2.761 468 HG2 GLU 59 HG1 GLU 59 -3.530 -11.801 0.589 469 HG3 GLU 59 HG2 GLU 59 -2.764 -10.232 0.366 470 H LYS 60 H LYS 60 -5.216 -8.105 3.855 471 HA LYS 60 HA LYS 60 -7.658 -9.493 4.594 472 HB2 LYS 60 HB1 LYS 60 -7.675 -8.410 6.541 473 HB3 LYS 60 HB2 LYS 60 -5.964 -8.491 6.233 474 HG2 LYS 60 HG1 LYS 60 -5.934 -6.126 5.659 475 HG3 LYS 60 HG2 LYS 60 -7.686 -5.998 5.777 476 HD2 LYS 60 HD1 LYS 60 -5.961 -6.834 8.141 477 HD3 LYS 60 HD2 LYS 60 -6.209 -5.147 7.699 478 HE2 LYS 60 HE1 LYS 60 -7.715 -5.692 9.472 479 HE3 LYS 60 HE2 LYS 60 -8.620 -5.313 8.014 480 HZ1 LYS 60 HZ1 LYS 60 -8.074 -8.115 8.806 481 HZ2 LYS 60 HZ2 LYS 60 -9.206 -7.556 7.764 482 HZ3 LYS 60 HZ3 LYS 60 -9.378 -7.262 9.358 483 H TYR 61 H TYR 61 -6.900 -6.536 2.850 484 HA TYR 61 HA TYR 61 -9.565 -5.477 2.914 485 HB2 TYR 61 HB1 TYR 61 -7.049 -4.555 2.036 486 HB3 TYR 61 HB2 TYR 61 -7.992 -4.685 0.561 487 HD1 TYR 61 HD2 TYR 61 -8.183 -3.474 4.115 488 HD2 TYR 61 HD1 TYR 61 -9.573 -3.000 0.078 489 HE1 TYR 61 HE2 TYR 61 -9.447 -1.507 4.819 490 HE2 TYR 61 HE1 TYR 61 -10.792 -0.966 0.701 491 HH TYR 61 HH TYR 61 -11.463 -0.159 4.026 492 H HIS 62 H HIS 62 -7.766 -7.504 0.584 493 HA HIS 62 HA HIS 62 -9.977 -7.761 -1.277 494 HB2 HIS 62 HB1 HIS 62 -7.300 -9.111 -0.866 495 HB3 HIS 62 HB2 HIS 62 -8.488 -9.925 -1.828 496 HD1 HIS 62 HD1 HIS 62 -7.874 -9.663 -4.238 497 HD2 HIS 62 HD2 HIS 62 -7.481 -6.100 -2.010 498 HE1 HIS 62 HE1 HIS 62 -7.263 -7.839 -5.900 499 H ALA 63 H ALA 63 -9.730 -8.978 1.878 500 HA ALA 63 HA ALA 63 -10.533 -11.654 1.685 501 HB1 ALA 63 HB1 ALA 63 -11.364 -11.417 3.950 502 HB2 ALA 63 HB2 ALA 63 -9.880 -10.454 3.808 503 HB3 ALA 63 HB3 ALA 63 -11.472 -9.657 3.791 Start of MODEL 18 1 H1 GLY -1 H GLY -1 -0.515 -14.859 -4.889 2 HA2 GLY -1 HA1 GLY -1 1.170 -16.413 -3.004 3 HA3 GLY -1 HA2 GLY -1 1.397 -16.390 -4.763 4 HA PRO 0 HA PRO 0 4.070 -13.033 -2.995 5 HB2 PRO 0 HB1 PRO 0 6.256 -13.379 -4.564 6 HB3 PRO 0 HB2 PRO 0 5.935 -14.391 -3.133 7 HG2 PRO 0 HG1 PRO 0 5.295 -15.035 -6.031 8 HG3 PRO 0 HG2 PRO 0 6.137 -16.066 -4.829 9 HD2 PRO 0 HD1 PRO 0 3.476 -16.338 -5.328 10 HD3 PRO 0 HD2 PRO 0 4.125 -16.520 -3.674 11 H MET 1 H MET 1 4.453 -11.015 -3.905 12 HA MET 1 HA MET 1 3.758 -10.402 -6.714 13 HB2 MET 1 HB1 MET 1 2.324 -9.357 -4.225 14 HB3 MET 1 HB2 MET 1 2.373 -8.431 -5.732 15 HG2 MET 1 HG1 MET 1 1.315 -10.204 -6.963 16 HG3 MET 1 HG2 MET 1 1.390 -11.286 -5.558 17 HE1 MET 1 HE1 MET 1 -0.498 -8.412 -7.337 18 HE2 MET 1 HE2 MET 1 -1.669 -7.866 -6.123 19 HE3 MET 1 HE3 MET 1 0.051 -7.484 -5.913 20 H ASN 2 H ASN 2 5.322 -9.007 -7.455 21 HA ASN 2 HA ASN 2 7.373 -8.055 -5.652 22 HB2 ASN 2 HB1 ASN 2 7.839 -8.570 -8.026 23 HB3 ASN 2 HB2 ASN 2 6.771 -7.249 -8.528 24 HD21 ASN 2 HD22 ASN 2 8.345 -5.869 -9.517 25 HD22 ASN 2 HD21 ASN 2 9.690 -5.209 -8.593 26 H ILE 3 H ILE 3 7.945 -5.764 -5.386 27 HA ILE 3 HA ILE 3 6.066 -4.249 -4.060 28 HB ILE 3 HB ILE 3 8.539 -3.236 -5.524 29 HG12 ILE 3 HG11 ILE 3 8.116 -4.570 -2.825 30 HG13 ILE 3 HG12 ILE 3 9.235 -5.021 -4.107 31 HG21 ILE 3 HG21 ILE 3 7.298 -2.063 -3.032 32 HG22 ILE 3 HG22 ILE 3 8.539 -1.345 -4.073 33 HG23 ILE 3 HG23 ILE 3 6.869 -1.453 -4.632 34 HD11 ILE 3 HD11 ILE 3 10.573 -2.953 -3.617 35 HD12 ILE 3 HD12 ILE 3 9.483 -2.626 -2.242 36 HD13 ILE 3 HD13 ILE 3 10.467 -4.079 -2.245 37 H SER 4 H SER 4 6.872 -3.979 -7.567 38 HA SER 4 HA SER 4 5.257 -1.740 -8.058 39 HB2 SER 4 HB1 SER 4 6.955 -2.712 -9.637 40 HB3 SER 4 HB2 SER 4 5.781 -3.992 -10.006 41 HG SER 4 HG SER 4 4.353 -1.945 -10.293 42 H ASP 5 H ASP 5 4.253 -5.237 -7.906 43 HA ASP 5 HA ASP 5 1.646 -4.714 -9.021 44 HB2 ASP 5 HB1 ASP 5 2.976 -7.034 -7.585 45 HB3 ASP 5 HB2 ASP 5 1.236 -7.009 -7.870 46 H ILE 6 H ILE 6 3.068 -4.939 -5.775 47 HA ILE 6 HA ILE 6 0.646 -4.814 -4.286 48 HB ILE 6 HB ILE 6 3.474 -3.918 -3.581 49 HG12 ILE 6 HG11 ILE 6 2.022 -6.472 -2.752 50 HG13 ILE 6 HG12 ILE 6 3.012 -6.406 -4.188 51 HG21 ILE 6 HG21 ILE 6 1.835 -2.839 -2.052 52 HG22 ILE 6 HG22 ILE 6 1.108 -4.424 -1.716 53 HG23 ILE 6 HG23 ILE 6 2.768 -4.072 -1.203 54 HD11 ILE 6 HD11 ILE 6 4.024 -5.905 -1.377 55 HD12 ILE 6 HD12 ILE 6 4.279 -7.337 -2.377 56 HD13 ILE 6 HD13 ILE 6 4.991 -5.805 -2.878 57 H ARG 7 H ARG 7 2.906 -2.140 -5.272 58 HA ARG 7 HA ARG 7 1.072 -0.144 -4.273 59 HB2 ARG 7 HB1 ARG 7 2.349 1.538 -5.391 60 HB3 ARG 7 HB2 ARG 7 3.394 0.426 -4.522 61 HG2 ARG 7 HG1 ARG 7 3.904 -0.695 -6.719 62 HG3 ARG 7 HG2 ARG 7 3.003 0.596 -7.529 63 HD2 ARG 7 HD1 ARG 7 4.517 2.274 -6.415 64 HD3 ARG 7 HD2 ARG 7 5.415 0.937 -5.684 65 HE ARG 7 HE ARG 7 5.323 1.768 -8.526 66 HH11 ARG 7 HH11 ARG 7 7.198 0.083 -6.048 67 HH12 ARG 7 HH12 ARG 7 8.076 -0.910 -7.197 68 HH21 ARG 7 HH21 ARG 7 6.857 0.900 -9.968 69 HH22 ARG 7 HH22 ARG 7 8.013 -0.265 -9.455 70 H ALA 8 H ALA 8 1.269 -1.747 -7.462 71 HA ALA 8 HA ALA 8 -0.362 0.011 -8.906 72 HB1 ALA 8 HB1 ALA 8 -0.207 -3.031 -9.115 73 HB2 ALA 8 HB2 ALA 8 -0.907 -1.959 -10.318 74 HB3 ALA 8 HB3 ALA 8 0.832 -1.870 -9.973 75 H GLY 9 H GLY 9 -1.396 -2.699 -6.750 76 HA2 GLY 9 HA1 GLY 9 -4.163 -2.540 -7.359 77 HA3 GLY 9 HA2 GLY 9 -3.439 -3.220 -5.900 78 H LEU 10 H LEU 10 -2.182 -0.837 -4.914 79 HA LEU 10 HA LEU 10 -4.340 0.299 -3.458 80 HB2 LEU 10 HB1 LEU 10 -1.674 1.594 -4.036 81 HB3 LEU 10 HB2 LEU 10 -2.735 2.055 -2.742 82 HG LEU 10 HG LEU 10 -1.354 -0.649 -2.911 83 HD11 LEU 10 HD11 LEU 10 -0.046 0.126 -1.015 84 HD12 LEU 10 HD12 LEU 10 -0.845 1.708 -1.060 85 HD13 LEU 10 HD13 LEU 10 0.206 1.192 -2.406 86 HD21 LEU 10 HD21 LEU 10 -3.138 0.584 -0.761 87 HD22 LEU 10 HD22 LEU 10 -2.175 -0.898 -0.552 88 HD23 LEU 10 HD23 LEU 10 -3.479 -0.860 -1.739 89 H ARG 11 H ARG 11 -2.764 1.372 -6.417 90 HA ARG 11 HA ARG 11 -3.962 3.933 -6.658 91 HB2 ARG 11 HB1 ARG 11 -3.424 2.085 -9.013 92 HB3 ARG 11 HB2 ARG 11 -3.479 3.844 -9.023 93 HG2 ARG 11 HG1 ARG 11 -1.402 3.916 -7.650 94 HG3 ARG 11 HG2 ARG 11 -1.428 2.162 -7.549 95 HD2 ARG 11 HD1 ARG 11 0.163 2.497 -9.136 96 HD3 ARG 11 HD2 ARG 11 -1.269 2.101 -10.102 97 HE ARG 11 HE ARG 11 -1.321 4.853 -9.931 98 HH11 ARG 11 HH11 ARG 11 1.190 2.579 -11.017 99 HH12 ARG 11 HH12 ARG 11 1.898 3.681 -12.142 100 HH21 ARG 11 HH21 ARG 11 -0.365 6.303 -11.206 101 HH22 ARG 11 HH22 ARG 11 1.059 5.951 -12.185 102 H THR 12 H THR 12 -5.110 0.694 -7.790 103 HA THR 12 HA THR 12 -7.541 1.503 -8.872 104 HB THR 12 HB THR 12 -7.117 -1.141 -7.430 105 HG1 THR 12 HG1 THR 12 -5.946 -1.793 -9.243 106 HG21 THR 12 HG21 THR 12 -8.497 -0.406 -10.059 107 HG22 THR 12 HG22 THR 12 -9.324 -0.763 -8.526 108 HG23 THR 12 HG23 THR 12 -8.396 -2.029 -9.343 109 H LEU 13 H LEU 13 -6.807 0.574 -5.466 110 HA LEU 13 HA LEU 13 -9.431 0.769 -4.461 111 HB2 LEU 13 HB1 LEU 13 -6.669 0.952 -3.287 112 HB3 LEU 13 HB2 LEU 13 -7.992 1.566 -2.321 113 HG LEU 13 HG LEU 13 -7.313 -0.721 -1.752 114 HD11 LEU 13 HD11 LEU 13 -9.538 -1.695 -1.607 115 HD12 LEU 13 HD12 LEU 13 -10.128 -0.616 -2.855 116 HD13 LEU 13 HD13 LEU 13 -9.606 0.044 -1.272 117 HD21 LEU 13 HD21 LEU 13 -7.950 -2.608 -3.133 118 HD22 LEU 13 HD22 LEU 13 -6.751 -1.618 -3.973 119 HD23 LEU 13 HD23 LEU 13 -8.473 -1.531 -4.441 120 H VAL 14 H VAL 14 -6.918 3.382 -4.762 121 HA VAL 14 HA VAL 14 -8.804 5.295 -3.566 122 HB VAL 14 HB VAL 14 -7.238 7.072 -4.284 123 HG11 VAL 14 HG11 VAL 14 -5.511 6.509 -2.666 124 HG12 VAL 14 HG12 VAL 14 -7.105 6.002 -2.073 125 HG13 VAL 14 HG13 VAL 14 -5.989 4.795 -2.746 126 HG21 VAL 14 HG21 VAL 14 -5.373 4.840 -5.149 127 HG22 VAL 14 HG22 VAL 14 -6.223 5.931 -6.268 128 HG23 VAL 14 HG23 VAL 14 -5.065 6.580 -5.123 129 H GLU 15 H GLU 15 -8.084 4.284 -6.890 130 HA GLU 15 HA GLU 15 -9.250 6.467 -8.298 131 HB2 GLU 15 HB1 GLU 15 -9.041 3.482 -8.885 132 HB3 GLU 15 HB2 GLU 15 -9.648 4.631 -10.071 133 HG2 GLU 15 HG1 GLU 15 -6.980 5.295 -8.892 134 HG3 GLU 15 HG2 GLU 15 -7.043 3.807 -9.848 135 H ASN 16 H ASN 16 -10.626 3.552 -6.854 136 HA ASN 16 HA ASN 16 -13.372 4.234 -7.712 137 HB2 ASN 16 HB1 ASN 16 -12.151 1.783 -6.389 138 HB3 ASN 16 HB2 ASN 16 -13.883 1.976 -6.697 139 HD21 ASN 16 HD22 ASN 16 -10.671 1.768 -8.248 140 HD22 ASN 16 HD21 ASN 16 -11.249 1.409 -9.860 141 H GLU 17 H GLU 17 -11.588 5.527 -5.431 142 HA GLU 17 HA GLU 17 -11.819 6.522 -3.451 143 HB2 GLU 17 HB1 GLU 17 -14.798 6.389 -3.996 144 HB3 GLU 17 HB2 GLU 17 -13.946 7.527 -2.952 145 HG2 GLU 17 HG1 GLU 17 -12.699 8.358 -4.974 146 HG3 GLU 17 HG2 GLU 17 -13.723 7.335 -5.990 147 H GLU 18 H GLU 18 -12.234 3.479 -3.569 148 HA GLU 18 HA GLU 18 -13.802 2.405 -1.609 149 HB2 GLU 18 HB1 GLU 18 -10.959 1.599 -2.274 150 HB3 GLU 18 HB2 GLU 18 -12.172 0.543 -1.593 151 HG2 GLU 18 HG1 GLU 18 -12.556 1.873 -4.301 152 HG3 GLU 18 HG2 GLU 18 -11.599 0.419 -4.142 153 H THR 19 H THR 19 -10.700 4.079 -1.147 154 HA THR 19 HA THR 19 -11.241 4.491 1.649 155 HB THR 19 HB THR 19 -10.434 2.095 1.477 156 HG1 THR 19 HG1 THR 19 -9.647 2.267 3.293 157 HG21 THR 19 HG21 THR 19 -7.755 3.302 0.739 158 HG22 THR 19 HG22 THR 19 -8.795 2.348 -0.334 159 HG23 THR 19 HG23 THR 19 -8.097 1.599 1.115 160 H THR 20 H THR 20 -9.315 5.759 2.601 161 HA THR 20 HA THR 20 -7.935 7.352 0.475 162 HB THR 20 HB THR 20 -8.600 8.463 3.192 163 HG1 THR 20 HG1 THR 20 -10.483 7.844 1.385 164 HG21 THR 20 HG21 THR 20 -8.193 9.732 0.445 165 HG22 THR 20 HG22 THR 20 -7.041 9.771 1.802 166 HG23 THR 20 HG23 THR 20 -8.576 10.622 1.936 167 H PHE 21 H PHE 21 -5.767 8.115 1.129 168 HA PHE 21 HA PHE 21 -4.088 6.140 2.055 169 HB2 PHE 21 HB1 PHE 21 -3.761 9.153 2.131 170 HB3 PHE 21 HB2 PHE 21 -2.453 8.054 2.511 171 HD1 PHE 21 HD1 PHE 21 -4.640 9.303 -0.236 172 HD2 PHE 21 HD2 PHE 21 -1.283 6.825 0.827 173 HE1 PHE 21 HE1 PHE 21 -3.933 9.258 -2.600 174 HE2 PHE 21 HE2 PHE 21 -0.584 6.769 -1.548 175 HZ PHE 21 HZ PHE 21 -1.884 8.028 -3.269 176 H LYS 22 H LYS 22 -5.666 8.613 4.110 177 HA LYS 22 HA LYS 22 -4.062 8.077 6.431 178 HB2 LYS 22 HB1 LYS 22 -5.381 10.089 6.156 179 HB3 LYS 22 HB2 LYS 22 -6.870 9.153 6.155 180 HG2 LYS 22 HG1 LYS 22 -6.451 8.471 8.520 181 HG3 LYS 22 HG2 LYS 22 -4.916 9.346 8.500 182 HD2 LYS 22 HD1 LYS 22 -6.735 10.610 9.641 183 HD3 LYS 22 HD2 LYS 22 -6.038 11.463 8.272 184 HE2 LYS 22 HE1 LYS 22 -8.392 11.791 8.124 185 HE3 LYS 22 HE2 LYS 22 -7.940 10.682 6.837 186 HZ1 LYS 22 HZ1 LYS 22 -8.713 8.843 8.317 187 HZ2 LYS 22 HZ2 LYS 22 -9.902 9.864 7.918 188 HZ3 LYS 22 HZ3 LYS 22 -9.219 9.950 9.417 189 H GLN 23 H GLN 23 -7.156 6.676 5.291 190 HA GLN 23 HA GLN 23 -7.512 5.043 7.610 191 HB2 GLN 23 HB1 GLN 23 -9.325 5.659 5.990 192 HB3 GLN 23 HB2 GLN 23 -8.571 4.623 4.780 193 HG2 GLN 23 HG1 GLN 23 -10.456 3.487 5.895 194 HG3 GLN 23 HG2 GLN 23 -8.940 2.656 6.205 195 HE21 GLN 23 HE22 GLN 23 -9.664 1.676 8.121 196 HE22 GLN 23 HE21 GLN 23 -10.007 2.584 9.607 197 H ILE 24 H ILE 24 -5.975 4.442 4.417 198 HA ILE 24 HA ILE 24 -5.289 1.730 4.885 199 HB ILE 24 HB ILE 24 -3.658 3.786 3.354 200 HG12 ILE 24 HG11 ILE 24 -5.780 1.960 2.174 201 HG13 ILE 24 HG12 ILE 24 -6.073 3.633 2.595 202 HG21 ILE 24 HG21 ILE 24 -2.419 1.663 3.782 203 HG22 ILE 24 HG22 ILE 24 -3.777 0.739 3.124 204 HG23 ILE 24 HG23 ILE 24 -2.812 1.795 2.074 205 HD11 ILE 24 HD11 ILE 24 -4.204 2.590 0.475 206 HD12 ILE 24 HD12 ILE 24 -5.563 3.728 0.319 207 HD13 ILE 24 HD13 ILE 24 -4.063 4.243 1.092 208 H ALA 25 H ALA 25 -3.509 4.773 5.688 209 HA ALA 25 HA ALA 25 -1.204 3.599 6.850 210 HB1 ALA 25 HB1 ALA 25 -1.173 5.881 8.098 211 HB2 ALA 25 HB2 ALA 25 -1.184 5.917 6.333 212 HB3 ALA 25 HB3 ALA 25 -2.656 6.262 7.231 213 H LEU 26 H LEU 26 -4.324 4.531 8.334 214 HA LEU 26 HA LEU 26 -3.657 3.969 11.022 215 HB2 LEU 26 HB1 LEU 26 -5.671 5.219 10.343 216 HB3 LEU 26 HB2 LEU 26 -6.301 3.798 9.521 217 HG LEU 26 HG LEU 26 -6.430 2.601 11.733 218 HD11 LEU 26 HD11 LEU 26 -5.793 5.382 12.841 219 HD12 LEU 26 HD12 LEU 26 -4.779 3.927 13.013 220 HD13 LEU 26 HD13 LEU 26 -6.365 3.989 13.775 221 HD21 LEU 26 HD21 LEU 26 -8.461 3.772 12.403 222 HD22 LEU 26 HD22 LEU 26 -8.356 3.659 10.650 223 HD23 LEU 26 HD23 LEU 26 -7.993 5.194 11.459 224 H GLU 27 H GLU 27 -5.173 1.818 8.559 225 HA GLU 27 HA GLU 27 -5.251 -0.434 10.375 226 HB2 GLU 27 HB1 GLU 27 -5.664 -0.143 7.392 227 HB3 GLU 27 HB2 GLU 27 -5.909 -1.649 8.313 228 HG2 GLU 27 HG1 GLU 27 -7.626 -0.590 9.673 229 HG3 GLU 27 HG2 GLU 27 -7.403 0.952 8.828 230 H SER 28 H SER 28 -3.041 0.502 7.702 231 HA SER 28 HA SER 28 -1.659 -2.056 7.741 232 HB2 SER 28 HB1 SER 28 -0.041 -0.951 6.247 233 HB3 SER 28 HB2 SER 28 -1.704 -0.657 5.710 234 HG SER 28 HG SER 28 -1.663 1.344 6.459 235 H GLY 29 H GLY 29 -1.394 1.022 9.405 236 HA2 GLY 29 HA1 GLY 29 -0.367 1.423 11.423 237 HA3 GLY 29 HA2 GLY 29 0.704 0.031 11.191 238 H LEU 30 H LEU 30 0.653 1.522 8.241 239 HA LEU 30 HA LEU 30 3.288 2.758 8.559 240 HB2 LEU 30 HB1 LEU 30 1.297 2.633 6.236 241 HB3 LEU 30 HB2 LEU 30 2.916 3.288 6.089 242 HG LEU 30 HG LEU 30 2.368 0.407 6.876 243 HD11 LEU 30 HD11 LEU 30 3.009 -0.111 4.537 244 HD12 LEU 30 HD12 LEU 30 2.975 1.626 4.154 245 HD13 LEU 30 HD13 LEU 30 1.489 0.795 4.661 246 HD21 LEU 30 HD21 LEU 30 4.740 0.100 6.192 247 HD22 LEU 30 HD22 LEU 30 4.604 1.211 7.555 248 HD23 LEU 30 HD23 LEU 30 4.896 1.845 5.921 249 H SER 31 H SER 31 3.503 4.980 7.378 250 HA SER 31 HA SER 31 1.660 6.884 8.691 251 HB2 SER 31 HB1 SER 31 4.126 7.140 8.873 252 HB3 SER 31 HB2 SER 31 4.248 7.217 7.103 253 HG SER 31 HG SER 31 3.372 9.059 8.965 254 H THR 32 H THR 32 0.427 8.422 7.388 255 HA THR 32 HA THR 32 -0.637 7.520 4.962 256 HB THR 32 HB THR 32 -0.392 10.421 5.736 257 HG1 THR 32 HG1 THR 32 -2.135 10.126 7.137 258 HG21 THR 32 HG21 THR 32 -2.714 10.581 4.919 259 HG22 THR 32 HG22 THR 32 -2.665 8.857 4.595 260 HG23 THR 32 HG23 THR 32 -1.612 9.951 3.672 261 H GLY 33 H GLY 33 1.969 9.883 5.637 262 HA2 GLY 33 HA1 GLY 33 2.644 10.636 3.048 263 HA3 GLY 33 HA2 GLY 33 3.727 10.615 4.457 264 H THR 34 H THR 34 4.006 7.919 5.018 265 HA THR 34 HA THR 34 5.942 7.025 3.208 266 HB THR 34 HB THR 34 4.338 5.584 5.334 267 HG1 THR 34 HG1 THR 34 6.690 5.626 6.103 268 HG21 THR 34 HG21 THR 34 5.018 3.826 3.810 269 HG22 THR 34 HG22 THR 34 6.056 3.785 5.234 270 HG23 THR 34 HG23 THR 34 6.663 4.481 3.714 271 H ILE 35 H ILE 35 2.445 6.010 3.400 272 HA ILE 35 HA ILE 35 2.637 4.103 1.308 273 HB ILE 35 HB ILE 35 0.324 5.876 2.130 274 HG12 ILE 35 HG11 ILE 35 0.702 2.982 2.963 275 HG13 ILE 35 HG12 ILE 35 1.461 4.258 3.904 276 HG21 ILE 35 HG21 ILE 35 -0.111 4.803 -0.081 277 HG22 ILE 35 HG22 ILE 35 0.307 3.221 0.597 278 HG23 ILE 35 HG23 ILE 35 -1.144 4.086 1.145 279 HD11 ILE 35 HD11 ILE 35 -0.664 5.372 4.276 280 HD12 ILE 35 HD12 ILE 35 -1.504 4.135 3.324 281 HD13 ILE 35 HD13 ILE 35 -0.690 3.671 4.825 282 H SER 36 H SER 36 1.769 7.644 1.181 283 HA SER 36 HA SER 36 1.402 7.601 -1.643 284 HB2 SER 36 HB1 SER 36 2.336 9.965 0.060 285 HB3 SER 36 HB2 SER 36 1.498 10.027 -1.502 286 HG SER 36 HG SER 36 -0.269 8.915 -0.411 287 H SER 37 H SER 37 4.533 8.131 0.299 288 HA SER 37 HA SER 37 5.950 8.867 -2.013 289 HB2 SER 37 HB1 SER 37 7.656 7.601 -0.256 290 HB3 SER 37 HB2 SER 37 7.369 9.327 -0.346 291 HG SER 37 HG SER 37 5.758 8.913 1.331 292 H PHE 38 H PHE 38 5.230 5.796 -0.431 293 HA PHE 38 HA PHE 38 6.867 4.060 -1.959 294 HB2 PHE 38 HB1 PHE 38 5.790 3.442 0.130 295 HB3 PHE 38 HB2 PHE 38 4.201 3.580 -0.584 296 HD1 PHE 38 HD1 PHE 38 7.275 1.531 -0.428 297 HD2 PHE 38 HD2 PHE 38 3.233 1.816 -1.927 298 HE1 PHE 38 HE1 PHE 38 7.290 -0.884 -0.940 299 HE2 PHE 38 HE2 PHE 38 3.270 -0.606 -2.459 300 HZ PHE 38 HZ PHE 38 5.281 -1.951 -1.988 301 H ILE 39 H ILE 39 3.423 4.983 -2.556 302 HA ILE 39 HA ILE 39 3.250 3.540 -5.024 303 HB ILE 39 HB ILE 39 1.609 5.899 -4.020 304 HG12 ILE 39 HG11 ILE 39 1.090 2.890 -3.910 305 HG13 ILE 39 HG12 ILE 39 1.574 3.867 -2.539 306 HG21 ILE 39 HG21 ILE 39 1.360 5.577 -6.500 307 HG22 ILE 39 HG22 ILE 39 0.936 3.872 -6.218 308 HG23 ILE 39 HG23 ILE 39 -0.108 5.182 -5.642 309 HD11 ILE 39 HD11 ILE 39 -0.552 5.262 -3.049 310 HD12 ILE 39 HD12 ILE 39 -1.053 3.853 -4.001 311 HD13 ILE 39 HD13 ILE 39 -0.724 3.680 -2.268 312 H ASN 40 H ASN 40 4.056 6.993 -4.315 313 HA ASN 40 HA ASN 40 4.401 7.659 -7.121 314 HB2 ASN 40 HB1 ASN 40 4.875 9.145 -4.514 315 HB3 ASN 40 HB2 ASN 40 5.384 9.790 -6.057 316 HD21 ASN 40 HD22 ASN 40 3.872 10.629 -7.537 317 HD22 ASN 40 HD21 ASN 40 2.152 10.677 -7.228 318 H ASP 41 H ASP 41 6.229 5.619 -5.415 319 HA ASP 41 HA ASP 41 8.256 4.803 -5.436 320 HB2 ASP 41 HB1 ASP 41 8.372 6.127 -8.139 321 HB3 ASP 41 HB2 ASP 41 9.664 5.106 -7.508 322 H LYS 42 H LYS 42 7.875 7.505 -4.282 323 HA LYS 42 HA LYS 42 10.615 8.658 -4.318 324 HB2 LYS 42 HB1 LYS 42 8.086 9.383 -2.769 325 HB3 LYS 42 HB2 LYS 42 9.615 10.253 -2.633 326 HG2 LYS 42 HG1 LYS 42 7.943 9.998 -5.169 327 HG3 LYS 42 HG2 LYS 42 8.012 11.392 -4.086 328 HD2 LYS 42 HD1 LYS 42 10.452 11.658 -4.581 329 HD3 LYS 42 HD2 LYS 42 10.370 10.283 -5.689 330 HE2 LYS 42 HE1 LYS 42 10.288 12.349 -6.937 331 HE3 LYS 42 HE2 LYS 42 8.789 11.428 -7.126 332 HZ1 LYS 42 HZ1 LYS 42 8.399 13.796 -6.760 333 HZ2 LYS 42 HZ2 LYS 42 9.119 13.700 -5.270 334 HZ3 LYS 42 HZ3 LYS 42 7.719 12.885 -5.588 335 H TYR 43 H TYR 43 8.739 6.318 -2.494 336 HA TYR 43 HA TYR 43 10.329 6.629 -0.075 337 HB2 TYR 43 HB1 TYR 43 8.030 5.504 -0.151 338 HB3 TYR 43 HB2 TYR 43 8.844 4.094 -0.827 339 HD1 TYR 43 HD2 TYR 43 10.583 2.881 0.592 340 HD2 TYR 43 HD1 TYR 43 8.320 6.222 2.134 341 HE1 TYR 43 HE2 TYR 43 11.194 2.218 2.849 342 HE2 TYR 43 HE1 TYR 43 9.015 5.607 4.437 343 HH TYR 43 HH TYR 43 11.252 2.913 5.075 344 H ASN 44 H ASN 44 12.249 5.805 0.337 345 HA ASN 44 HA ASN 44 13.451 3.633 -1.245 346 HB2 ASN 44 HB1 ASN 44 15.587 4.905 -1.309 347 HB3 ASN 44 HB2 ASN 44 14.339 5.567 -2.351 348 HD21 ASN 44 HD22 ASN 44 13.423 7.637 -1.837 349 HD22 ASN 44 HD21 ASN 44 14.078 8.654 -0.559 350 H GLY 45 H GLY 45 15.104 2.596 0.000 351 HA2 GLY 45 HA1 GLY 45 16.317 2.049 1.900 352 HA3 GLY 45 HA2 GLY 45 15.593 3.429 2.747 353 H ASP 46 H ASP 46 15.335 0.030 2.080 354 HA ASP 46 HA ASP 46 14.248 -1.650 3.078 355 HB2 ASP 46 HB1 ASP 46 13.064 0.185 5.173 356 HB3 ASP 46 HB2 ASP 46 13.351 -1.543 5.259 357 H ASN 47 H ASN 47 13.124 -0.340 0.867 358 HA ASN 47 HA ASN 47 10.396 0.318 1.003 359 HB2 ASN 47 HB1 ASN 47 11.895 -1.090 -1.259 360 HB3 ASN 47 HB2 ASN 47 10.297 -0.373 -1.385 361 HD21 ASN 47 HD22 ASN 47 11.367 0.930 -3.210 362 HD22 ASN 47 HD21 ASN 47 12.051 2.446 -2.649 363 H GLU 48 H GLU 48 12.014 -2.811 0.843 364 HA GLU 48 HA GLU 48 9.790 -4.442 0.238 365 HB2 GLU 48 HB1 GLU 48 12.260 -5.039 0.216 366 HB3 GLU 48 HB2 GLU 48 12.169 -5.176 1.981 367 HG2 GLU 48 HG1 GLU 48 10.290 -6.879 1.639 368 HG3 GLU 48 HG2 GLU 48 10.632 -6.801 -0.101 369 H ARG 49 H ARG 49 10.935 -3.085 3.374 370 HA ARG 49 HA ARG 49 9.190 -4.714 4.982 371 HB2 ARG 49 HB1 ARG 49 11.178 -3.416 5.829 372 HB3 ARG 49 HB2 ARG 49 10.259 -1.920 5.582 373 HG2 ARG 49 HG1 ARG 49 8.502 -2.797 7.156 374 HG3 ARG 49 HG2 ARG 49 9.517 -4.225 7.446 375 HD2 ARG 49 HD1 ARG 49 11.290 -2.837 8.345 376 HD3 ARG 49 HD2 ARG 49 10.454 -1.361 7.850 377 HE ARG 49 HE ARG 49 8.968 -3.117 9.682 378 HH11 ARG 49 HH11 ARG 49 11.225 -0.366 9.610 379 HH12 ARG 49 HH12 ARG 49 10.278 0.621 10.659 380 HH21 ARG 49 HH21 ARG 49 7.902 -1.985 11.283 381 HH22 ARG 49 HH22 ARG 49 8.531 -0.484 11.916 382 H VAL 50 H VAL 50 8.842 -1.521 3.411 383 HA VAL 50 HA VAL 50 6.224 -0.979 4.430 384 HB VAL 50 HB VAL 50 7.529 0.042 1.863 385 HG11 VAL 50 HG11 VAL 50 5.996 1.967 2.128 386 HG12 VAL 50 HG12 VAL 50 5.098 0.466 1.890 387 HG13 VAL 50 HG13 VAL 50 5.230 1.167 3.516 388 HG21 VAL 50 HG21 VAL 50 7.535 1.154 4.707 389 HG22 VAL 50 HG22 VAL 50 8.949 0.597 3.778 390 HG23 VAL 50 HG23 VAL 50 8.072 2.041 3.269 391 H SER 51 H SER 51 7.358 -2.584 1.346 392 HA SER 51 HA SER 51 4.761 -3.005 0.351 393 HB2 SER 51 HB1 SER 51 5.730 -4.551 -1.185 394 HB3 SER 51 HB2 SER 51 6.827 -3.203 -0.969 395 HG SER 51 HG SER 51 7.145 -5.885 -0.258 396 H GLN 52 H GLN 52 6.783 -5.204 2.364 397 HA GLN 52 HA GLN 52 4.948 -7.298 2.674 398 HB2 GLN 52 HB1 GLN 52 7.044 -6.160 4.571 399 HB3 GLN 52 HB2 GLN 52 6.192 -7.671 4.878 400 HG2 GLN 52 HG1 GLN 52 7.768 -7.267 2.303 401 HG3 GLN 52 HG2 GLN 52 8.527 -7.804 3.803 402 HE21 GLN 52 HE22 GLN 52 6.265 -8.673 1.218 403 HE22 GLN 52 HE21 GLN 52 6.086 -10.355 1.672 404 H THR 53 H THR 53 5.052 -4.171 4.438 405 HA THR 53 HA THR 53 3.111 -4.958 6.403 406 HB THR 53 HB THR 53 3.800 -2.153 5.417 407 HG1 THR 53 HG1 THR 53 5.653 -3.450 6.155 408 HG21 THR 53 HG21 THR 53 3.190 -1.530 7.760 409 HG22 THR 53 HG22 THR 53 2.703 -3.208 8.057 410 HG23 THR 53 HG23 THR 53 1.823 -2.221 6.870 411 H LEU 54 H LEU 54 2.958 -3.457 3.159 412 HA LEU 54 HA LEU 54 0.148 -2.798 3.289 413 HB2 LEU 54 HB1 LEU 54 2.138 -3.040 0.994 414 HB3 LEU 54 HB2 LEU 54 0.467 -2.546 0.767 415 HG LEU 54 HG LEU 54 2.341 -1.096 2.675 416 HD11 LEU 54 HD11 LEU 54 1.880 -0.535 -0.256 417 HD12 LEU 54 HD12 LEU 54 3.394 -0.938 0.560 418 HD13 LEU 54 HD13 LEU 54 2.615 0.613 0.895 419 HD21 LEU 54 HD21 LEU 54 0.020 -0.648 3.127 420 HD22 LEU 54 HD22 LEU 54 -0.317 -0.343 1.405 421 HD23 LEU 54 HD23 LEU 54 0.720 0.763 2.334 422 H GLN 55 H GLN 55 2.046 -5.592 2.201 423 HA GLN 55 HA GLN 55 0.021 -6.976 0.833 424 HB2 GLN 55 HB1 GLN 55 2.326 -8.091 2.508 425 HB3 GLN 55 HB2 GLN 55 1.320 -9.028 1.435 426 HG2 GLN 55 HG1 GLN 55 2.113 -7.012 -0.281 427 HG3 GLN 55 HG2 GLN 55 3.492 -7.122 0.802 428 HE21 GLN 55 HE22 GLN 55 1.333 -9.471 -0.855 429 HE22 GLN 55 HE21 GLN 55 2.599 -10.604 -1.257 430 H ARG 56 H ARG 56 0.889 -7.276 4.327 431 HA ARG 56 HA ARG 56 -1.231 -9.054 4.964 432 HB2 ARG 56 HB1 ARG 56 0.395 -7.076 6.616 433 HB3 ARG 56 HB2 ARG 56 -0.970 -7.956 7.317 434 HG2 ARG 56 HG1 ARG 56 0.057 -10.107 6.412 435 HG3 ARG 56 HG2 ARG 56 1.491 -9.164 5.979 436 HD2 ARG 56 HD1 ARG 56 1.968 -8.685 8.284 437 HD3 ARG 56 HD2 ARG 56 0.395 -9.325 8.811 438 HE ARG 56 HE ARG 56 1.549 -11.405 7.426 439 HH11 ARG 56 HH11 ARG 56 2.679 -9.558 10.240 440 HH12 ARG 56 HH12 ARG 56 3.146 -10.960 11.150 441 HH21 ARG 56 HH21 ARG 56 2.387 -13.181 8.447 442 HH22 ARG 56 HH22 ARG 56 3.439 -12.986 9.827 443 H TRP 57 H TRP 57 -1.289 -5.562 4.649 444 HA TRP 57 HA TRP 57 -3.947 -5.306 5.824 445 HB2 TRP 57 HB1 TRP 57 -2.469 -3.399 5.858 446 HB3 TRP 57 HB2 TRP 57 -2.279 -3.440 4.108 447 HD1 TRP 57 HD1 TRP 57 -5.072 -2.863 6.714 448 HE1 TRP 57 HE1 TRP 57 -6.949 -1.478 5.699 449 HE3 TRP 57 HE3 TRP 57 -3.269 -2.574 1.989 450 HZ2 TRP 57 HZ2 TRP 57 -7.444 -0.123 3.139 451 HZ3 TRP 57 HZ3 TRP 57 -4.596 -1.474 0.209 452 HH2 TRP 57 HH2 TRP 57 -6.668 -0.222 0.773 453 H LEU 58 H LEU 58 -2.731 -5.219 2.411 454 HA LEU 58 HA LEU 58 -5.226 -5.155 1.121 455 HB2 LEU 58 HB1 LEU 58 -2.452 -6.030 0.366 456 HB3 LEU 58 HB2 LEU 58 -3.759 -6.477 -0.718 457 HG LEU 58 HG LEU 58 -3.674 -3.674 0.221 458 HD11 LEU 58 HD11 LEU 58 -1.313 -4.091 -0.421 459 HD12 LEU 58 HD12 LEU 58 -2.091 -3.056 -1.638 460 HD13 LEU 58 HD13 LEU 58 -1.851 -4.776 -1.970 461 HD21 LEU 58 HD21 LEU 58 -4.450 -4.907 -2.415 462 HD22 LEU 58 HD22 LEU 58 -4.478 -3.173 -2.059 463 HD23 LEU 58 HD23 LEU 58 -5.524 -4.256 -1.150 464 H GLU 59 H GLU 59 -3.477 -7.987 2.391 465 HA GLU 59 HA GLU 59 -5.014 -10.006 1.091 466 HB2 GLU 59 HB1 GLU 59 -3.426 -9.858 3.668 467 HB3 GLU 59 HB2 GLU 59 -4.286 -11.338 3.204 468 HG2 GLU 59 HG1 GLU 59 -2.979 -11.727 1.315 469 HG3 GLU 59 HG2 GLU 59 -2.546 -10.039 1.139 470 H LYS 60 H LYS 60 -5.632 -8.164 4.109 471 HA LYS 60 HA LYS 60 -8.092 -9.728 4.551 472 HB2 LYS 60 HB1 LYS 60 -8.411 -8.570 6.534 473 HB3 LYS 60 HB2 LYS 60 -6.702 -8.984 6.477 474 HG2 LYS 60 HG1 LYS 60 -6.018 -6.786 6.448 475 HG3 LYS 60 HG2 LYS 60 -7.365 -6.245 5.458 476 HD2 LYS 60 HD1 LYS 60 -8.898 -6.567 7.424 477 HD3 LYS 60 HD2 LYS 60 -7.431 -6.731 8.416 478 HE2 LYS 60 HE1 LYS 60 -6.655 -4.514 7.626 479 HE3 LYS 60 HE2 LYS 60 -8.054 -4.415 6.537 480 HZ1 LYS 60 HZ1 LYS 60 -9.454 -4.550 8.556 481 HZ2 LYS 60 HZ2 LYS 60 -8.567 -3.174 8.363 482 HZ3 LYS 60 HZ3 LYS 60 -8.099 -4.325 9.469 483 H TYR 61 H TYR 61 -7.124 -6.621 3.183 484 HA TYR 61 HA TYR 61 -9.698 -5.441 3.150 485 HB2 TYR 61 HB1 TYR 61 -7.145 -4.613 2.446 486 HB3 TYR 61 HB2 TYR 61 -7.949 -4.688 0.886 487 HD1 TYR 61 HD2 TYR 61 -8.395 -3.469 4.410 488 HD2 TYR 61 HD1 TYR 61 -9.345 -2.891 0.260 489 HE1 TYR 61 HE2 TYR 61 -9.520 -1.342 4.999 490 HE2 TYR 61 HE1 TYR 61 -10.428 -0.715 0.801 491 HH TYR 61 HH TYR 61 -11.028 0.385 4.105 492 H HIS 62 H HIS 62 -7.936 -7.269 0.622 493 HA HIS 62 HA HIS 62 -10.336 -7.476 -1.032 494 HB2 HIS 62 HB1 HIS 62 -7.562 -8.701 -1.176 495 HB3 HIS 62 HB2 HIS 62 -8.812 -9.076 -2.352 496 HD1 HIS 62 HD1 HIS 62 -9.981 -6.727 -3.549 497 HD2 HIS 62 HD2 HIS 62 -6.263 -6.447 -1.600 498 HE1 HIS 62 HE1 HIS 62 -8.862 -4.628 -4.430 499 H ALA 63 H ALA 63 -10.121 -8.869 1.871 500 HA ALA 63 HA ALA 63 -10.604 -11.666 1.202 501 HB1 ALA 63 HB1 ALA 63 -9.556 -10.973 3.371 502 HB2 ALA 63 HB2 ALA 63 -11.108 -10.218 3.835 503 HB3 ALA 63 HB3 ALA 63 -11.009 -11.955 3.591 Start of MODEL 19 1 H1 GLY -1 H GLY -1 -1.653 -14.580 -3.622 2 HA2 GLY -1 HA1 GLY -1 0.331 -16.061 -3.231 3 HA3 GLY -1 HA2 GLY -1 0.764 -15.717 -4.918 4 HA PRO 0 HA PRO 0 2.440 -12.465 -1.865 5 HB2 PRO 0 HB1 PRO 0 5.121 -12.823 -2.179 6 HB3 PRO 0 HB2 PRO 0 4.124 -13.781 -1.052 7 HG2 PRO 0 HG1 PRO 0 4.975 -14.527 -3.862 8 HG3 PRO 0 HG2 PRO 0 5.103 -15.517 -2.374 9 HD2 PRO 0 HD1 PRO 0 3.032 -15.811 -4.119 10 HD3 PRO 0 HD2 PRO 0 2.774 -15.941 -2.352 11 H MET 1 H MET 1 1.564 -10.921 -3.161 12 HA MET 1 HA MET 1 2.231 -10.250 -5.804 13 HB2 MET 1 HB1 MET 1 1.091 -8.659 -3.484 14 HB3 MET 1 HB2 MET 1 1.363 -7.913 -5.043 15 HG2 MET 1 HG1 MET 1 -0.101 -9.493 -6.159 16 HG3 MET 1 HG2 MET 1 -0.282 -10.434 -4.677 17 HE1 MET 1 HE1 MET 1 -2.157 -6.209 -5.222 18 HE2 MET 1 HE2 MET 1 -0.404 -6.464 -5.136 19 HE3 MET 1 HE3 MET 1 -1.327 -7.060 -6.539 20 H ASN 2 H ASN 2 3.795 -9.114 -6.777 21 HA ASN 2 HA ASN 2 6.241 -8.650 -5.374 22 HB2 ASN 2 HB1 ASN 2 5.393 -7.811 -8.166 23 HB3 ASN 2 HB2 ASN 2 7.034 -7.749 -7.541 24 HD21 ASN 2 HD22 ASN 2 4.459 -9.880 -8.647 25 HD22 ASN 2 HD21 ASN 2 5.398 -11.362 -8.640 26 H ILE 3 H ILE 3 7.375 -6.447 -5.415 27 HA ILE 3 HA ILE 3 5.907 -4.467 -4.070 28 HB ILE 3 HB ILE 3 8.568 -4.446 -5.518 29 HG12 ILE 3 HG11 ILE 3 7.602 -4.473 -2.625 30 HG13 ILE 3 HG12 ILE 3 8.400 -5.777 -3.482 31 HG21 ILE 3 HG21 ILE 3 7.742 -2.154 -5.668 32 HG22 ILE 3 HG22 ILE 3 7.375 -2.139 -3.927 33 HG23 ILE 3 HG23 ILE 3 9.045 -2.242 -4.507 34 HD11 ILE 3 HD11 ILE 3 9.989 -4.846 -1.984 35 HD12 ILE 3 HD12 ILE 3 10.472 -4.324 -3.608 36 HD13 ILE 3 HD13 ILE 3 9.645 -3.191 -2.503 37 H SER 4 H SER 4 6.392 -4.865 -7.512 38 HA SER 4 HA SER 4 5.251 -2.402 -8.401 39 HB2 SER 4 HB1 SER 4 6.785 -3.858 -9.662 40 HB3 SER 4 HB2 SER 4 5.588 -5.160 -9.678 41 HG SER 4 HG SER 4 5.668 -4.003 -11.597 42 H ASP 5 H ASP 5 3.925 -5.734 -7.987 43 HA ASP 5 HA ASP 5 1.292 -5.229 -8.910 44 HB2 ASP 5 HB1 ASP 5 2.313 -7.234 -6.862 45 HB3 ASP 5 HB2 ASP 5 0.680 -7.241 -7.499 46 H ILE 6 H ILE 6 2.723 -5.043 -5.651 47 HA ILE 6 HA ILE 6 0.364 -4.558 -4.167 48 HB ILE 6 HB ILE 6 3.235 -3.704 -3.651 49 HG12 ILE 6 HG11 ILE 6 1.680 -5.964 -2.309 50 HG13 ILE 6 HG12 ILE 6 2.553 -6.239 -3.797 51 HG21 ILE 6 HG21 ILE 6 1.705 -2.300 -2.277 52 HG22 ILE 6 HG22 ILE 6 0.883 -3.765 -1.693 53 HG23 ILE 6 HG23 ILE 6 2.572 -3.450 -1.263 54 HD11 ILE 6 HD11 ILE 6 3.965 -6.878 -1.946 55 HD12 ILE 6 HD12 ILE 6 4.666 -5.476 -2.744 56 HD13 ILE 6 HD13 ILE 6 3.806 -5.281 -1.205 57 H ARG 7 H ARG 7 2.719 -2.047 -5.405 58 HA ARG 7 HA ARG 7 0.953 0.086 -4.699 59 HB2 ARG 7 HB1 ARG 7 2.198 1.534 -6.185 60 HB3 ARG 7 HB2 ARG 7 3.281 0.575 -5.181 61 HG2 ARG 7 HG1 ARG 7 3.839 -0.855 -7.067 62 HG3 ARG 7 HG2 ARG 7 2.651 -0.074 -8.113 63 HD2 ARG 7 HD1 ARG 7 4.791 1.604 -6.802 64 HD3 ARG 7 HD2 ARG 7 5.191 0.600 -8.197 65 HE ARG 7 HE ARG 7 3.094 2.731 -8.142 66 HH11 ARG 7 HH11 ARG 7 5.933 1.328 -9.765 67 HH12 ARG 7 HH12 ARG 7 5.976 2.522 -10.985 68 HH21 ARG 7 HH21 ARG 7 2.922 4.069 -9.943 69 HH22 ARG 7 HH22 ARG 7 4.154 4.041 -11.178 70 H ALA 8 H ALA 8 1.075 -1.905 -7.674 71 HA ALA 8 HA ALA 8 -0.725 -0.282 -9.119 72 HB1 ALA 8 HB1 ALA 8 0.770 -1.944 -10.142 73 HB2 ALA 8 HB2 ALA 8 -0.119 -3.255 -9.375 74 HB3 ALA 8 HB3 ALA 8 -0.925 -2.241 -10.590 75 H GLY 9 H GLY 9 -1.383 -2.453 -6.454 76 HA2 GLY 9 HA1 GLY 9 -4.214 -2.815 -7.217 77 HA3 GLY 9 HA2 GLY 9 -3.371 -3.499 -5.816 78 H LEU 10 H LEU 10 -2.229 -1.170 -4.690 79 HA LEU 10 HA LEU 10 -4.396 -0.154 -3.154 80 HB2 LEU 10 HB1 LEU 10 -1.771 1.272 -3.662 81 HB3 LEU 10 HB2 LEU 10 -2.854 1.538 -2.319 82 HG LEU 10 HG LEU 10 -1.444 -1.106 -2.714 83 HD11 LEU 10 HD11 LEU 10 0.032 -0.439 -0.923 84 HD12 LEU 10 HD12 LEU 10 -0.721 1.174 -0.849 85 HD13 LEU 10 HD13 LEU 10 0.196 0.674 -2.292 86 HD21 LEU 10 HD21 LEU 10 -3.522 -1.234 -1.429 87 HD22 LEU 10 HD22 LEU 10 -2.959 0.055 -0.348 88 HD23 LEU 10 HD23 LEU 10 -2.118 -1.518 -0.388 89 H ARG 11 H ARG 11 -2.863 1.139 -6.078 90 HA ARG 11 HA ARG 11 -4.114 3.667 -6.071 91 HB2 ARG 11 HB1 ARG 11 -3.771 3.708 -8.505 92 HB3 ARG 11 HB2 ARG 11 -2.324 3.346 -7.555 93 HG2 ARG 11 HG1 ARG 11 -2.512 0.997 -8.089 94 HG3 ARG 11 HG2 ARG 11 -3.967 1.268 -9.050 95 HD2 ARG 11 HD1 ARG 11 -1.318 2.670 -9.601 96 HD3 ARG 11 HD2 ARG 11 -1.714 1.104 -10.308 97 HE ARG 11 HE ARG 11 -2.802 3.692 -11.061 98 HH11 ARG 11 HH11 ARG 11 -3.457 0.187 -11.103 99 HH12 ARG 11 HH12 ARG 11 -4.372 0.255 -12.571 100 HH21 ARG 11 HH21 ARG 11 -4.213 3.806 -12.751 101 HH22 ARG 11 HH22 ARG 11 -5.095 2.425 -13.323 102 H THR 12 H THR 12 -5.375 0.522 -7.360 103 HA THR 12 HA THR 12 -7.723 1.516 -8.466 104 HB THR 12 HB THR 12 -7.342 -1.140 -7.016 105 HG1 THR 12 HG1 THR 12 -6.365 -0.120 -9.437 106 HG21 THR 12 HG21 THR 12 -8.872 -2.038 -8.649 107 HG22 THR 12 HG22 THR 12 -9.012 -0.462 -9.475 108 HG23 THR 12 HG23 THR 12 -9.644 -0.691 -7.829 109 H LEU 13 H LEU 13 -7.087 0.610 -5.058 110 HA LEU 13 HA LEU 13 -9.781 0.979 -4.186 111 HB2 LEU 13 HB1 LEU 13 -7.100 0.933 -2.785 112 HB3 LEU 13 HB2 LEU 13 -8.544 1.428 -1.921 113 HG LEU 13 HG LEU 13 -7.904 -0.899 -1.517 114 HD11 LEU 13 HD11 LEU 13 -10.176 -1.810 -1.696 115 HD12 LEU 13 HD12 LEU 13 -10.636 -0.541 -2.805 116 HD13 LEU 13 HD13 LEU 13 -10.202 -0.135 -1.121 117 HD21 LEU 13 HD21 LEU 13 -8.912 -1.418 -4.323 118 HD22 LEU 13 HD22 LEU 13 -8.398 -2.623 -3.131 119 HD23 LEU 13 HD23 LEU 13 -7.192 -1.516 -3.816 120 H VAL 14 H VAL 14 -6.957 3.258 -4.244 121 HA VAL 14 HA VAL 14 -8.624 5.290 -2.995 122 HB VAL 14 HB VAL 14 -6.915 6.987 -3.742 123 HG11 VAL 14 HG11 VAL 14 -5.242 6.345 -2.141 124 HG12 VAL 14 HG12 VAL 14 -6.828 5.886 -1.530 125 HG13 VAL 14 HG13 VAL 14 -5.729 4.657 -2.239 126 HG21 VAL 14 HG21 VAL 14 -5.272 4.598 -4.609 127 HG22 VAL 14 HG22 VAL 14 -5.945 5.817 -5.716 128 HG23 VAL 14 HG23 VAL 14 -4.734 6.287 -4.521 129 H GLU 15 H GLU 15 -7.833 4.531 -6.427 130 HA GLU 15 HA GLU 15 -8.899 6.815 -7.715 131 HB2 GLU 15 HB1 GLU 15 -8.615 3.894 -8.506 132 HB3 GLU 15 HB2 GLU 15 -9.207 5.095 -9.641 133 HG2 GLU 15 HG1 GLU 15 -6.530 5.465 -8.262 134 HG3 GLU 15 HG2 GLU 15 -6.690 4.409 -9.661 135 H ASN 16 H ASN 16 -10.467 4.072 -6.285 136 HA ASN 16 HA ASN 16 -13.111 4.765 -7.478 137 HB2 ASN 16 HB1 ASN 16 -11.990 2.269 -6.149 138 HB3 ASN 16 HB2 ASN 16 -13.724 2.521 -6.316 139 HD21 ASN 16 HD22 ASN 16 -10.773 1.855 -8.134 140 HD22 ASN 16 HD21 ASN 16 -11.657 1.519 -9.650 141 H GLU 17 H GLU 17 -11.375 5.888 -5.026 142 HA GLU 17 HA GLU 17 -11.633 6.744 -3.032 143 HB2 GLU 17 HB1 GLU 17 -14.406 7.143 -4.185 144 HB3 GLU 17 HB2 GLU 17 -14.035 7.677 -2.564 145 HG2 GLU 17 HG1 GLU 17 -13.652 9.557 -3.835 146 HG3 GLU 17 HG2 GLU 17 -12.055 8.927 -3.425 147 H GLU 18 H GLU 18 -12.377 3.774 -3.381 148 HA GLU 18 HA GLU 18 -14.149 2.757 -1.589 149 HB2 GLU 18 HB1 GLU 18 -11.331 1.720 -2.143 150 HB3 GLU 18 HB2 GLU 18 -12.624 0.759 -1.471 151 HG2 GLU 18 HG1 GLU 18 -13.117 2.124 -4.112 152 HG3 GLU 18 HG2 GLU 18 -11.965 0.810 -4.087 153 H THR 19 H THR 19 -10.922 4.057 -0.783 154 HA THR 19 HA THR 19 -11.705 4.450 1.956 155 HB THR 19 HB THR 19 -11.152 2.003 1.787 156 HG1 THR 19 HG1 THR 19 -10.259 1.917 3.645 157 HG21 THR 19 HG21 THR 19 -9.310 2.301 0.102 158 HG22 THR 19 HG22 THR 19 -8.982 1.185 1.445 159 HG23 THR 19 HG23 THR 19 -8.267 2.821 1.442 160 H THR 20 H THR 20 -10.309 6.047 2.933 161 HA THR 20 HA THR 20 -8.751 7.516 0.971 162 HB THR 20 HB THR 20 -8.599 8.473 3.752 163 HG1 THR 20 HG1 THR 20 -11.200 8.169 2.654 164 HG21 THR 20 HG21 THR 20 -9.487 10.527 2.728 165 HG22 THR 20 HG22 THR 20 -9.819 9.650 1.229 166 HG23 THR 20 HG23 THR 20 -8.144 9.854 1.783 167 H PHE 21 H PHE 21 -6.574 8.246 1.308 168 HA PHE 21 HA PHE 21 -4.632 6.366 1.932 169 HB2 PHE 21 HB1 PHE 21 -4.659 9.387 1.803 170 HB3 PHE 21 HB2 PHE 21 -3.213 8.571 2.277 171 HD1 PHE 21 HD2 PHE 21 -2.183 6.765 0.692 172 HD2 PHE 21 HD1 PHE 21 -5.184 9.636 -0.542 173 HE1 PHE 21 HE2 PHE 21 -1.605 6.375 -1.665 174 HE2 PHE 21 HE1 PHE 21 -4.536 9.276 -2.892 175 HZ PHE 21 HZ PHE 21 -2.734 7.634 -3.462 176 H LYS 22 H LYS 22 -6.168 8.642 4.166 177 HA LYS 22 HA LYS 22 -4.336 8.227 6.350 178 HB2 LYS 22 HB1 LYS 22 -7.204 9.228 6.268 179 HB3 LYS 22 HB2 LYS 22 -6.172 9.233 7.712 180 HG2 LYS 22 HG1 LYS 22 -4.497 10.610 6.374 181 HG3 LYS 22 HG2 LYS 22 -5.718 10.729 5.092 182 HD2 LYS 22 HD1 LYS 22 -7.298 11.654 6.873 183 HD3 LYS 22 HD2 LYS 22 -5.908 11.749 7.958 184 HE2 LYS 22 HE1 LYS 22 -6.205 13.157 5.257 185 HE3 LYS 22 HE2 LYS 22 -6.359 13.899 6.850 186 HZ1 LYS 22 HZ1 LYS 22 -4.222 14.345 6.029 187 HZ2 LYS 22 HZ2 LYS 22 -3.900 12.794 5.643 188 HZ3 LYS 22 HZ3 LYS 22 -4.000 13.226 7.224 189 H GLN 23 H GLN 23 -7.334 6.539 5.336 190 HA GLN 23 HA GLN 23 -7.504 4.949 7.698 191 HB2 GLN 23 HB1 GLN 23 -9.298 5.435 5.919 192 HB3 GLN 23 HB2 GLN 23 -8.516 4.221 4.916 193 HG2 GLN 23 HG1 GLN 23 -10.394 3.226 6.122 194 HG3 GLN 23 HG2 GLN 23 -8.879 2.517 6.676 195 HE21 GLN 23 HE22 GLN 23 -9.314 2.037 8.835 196 HE22 GLN 23 HE21 GLN 23 -9.945 3.169 10.029 197 H ILE 24 H ILE 24 -6.005 4.489 4.482 198 HA ILE 24 HA ILE 24 -5.117 1.823 4.788 199 HB ILE 24 HB ILE 24 -3.528 4.044 3.444 200 HG12 ILE 24 HG11 ILE 24 -5.635 2.365 2.031 201 HG13 ILE 24 HG12 ILE 24 -5.903 4.022 2.554 202 HG21 ILE 24 HG21 ILE 24 -2.568 2.244 2.068 203 HG22 ILE 24 HG22 ILE 24 -2.386 1.810 3.754 204 HG23 ILE 24 HG23 ILE 24 -3.688 1.078 2.790 205 HD11 ILE 24 HD11 ILE 24 -3.891 3.051 0.503 206 HD12 ILE 24 HD12 ILE 24 -5.211 4.222 0.296 207 HD13 ILE 24 HD13 ILE 24 -3.758 4.644 1.221 208 H ALA 25 H ALA 25 -3.508 4.927 5.651 209 HA ALA 25 HA ALA 25 -1.157 3.841 6.832 210 HB1 ALA 25 HB1 ALA 25 -1.471 6.230 6.175 211 HB2 ALA 25 HB2 ALA 25 -2.605 6.433 7.527 212 HB3 ALA 25 HB3 ALA 25 -0.913 6.044 7.844 213 H LEU 26 H LEU 26 -4.382 4.546 8.247 214 HA LEU 26 HA LEU 26 -3.574 4.150 10.914 215 HB2 LEU 26 HB1 LEU 26 -5.662 5.293 10.011 216 HB3 LEU 26 HB2 LEU 26 -6.329 3.685 9.710 217 HG LEU 26 HG LEU 26 -6.148 3.176 12.144 218 HD11 LEU 26 HD11 LEU 26 -5.130 6.061 12.286 219 HD12 LEU 26 HD12 LEU 26 -4.307 4.597 12.879 220 HD13 LEU 26 HD13 LEU 26 -5.752 5.176 13.687 221 HD21 LEU 26 HD21 LEU 26 -8.177 4.177 11.069 222 HD22 LEU 26 HD22 LEU 26 -7.609 5.785 11.543 223 HD23 LEU 26 HD23 LEU 26 -8.010 4.565 12.774 224 H GLU 27 H GLU 27 -5.045 1.842 8.570 225 HA GLU 27 HA GLU 27 -4.999 -0.350 10.481 226 HB2 GLU 27 HB1 GLU 27 -5.389 -0.228 7.492 227 HB3 GLU 27 HB2 GLU 27 -5.516 -1.710 8.476 228 HG2 GLU 27 HG1 GLU 27 -7.269 -0.490 9.861 229 HG3 GLU 27 HG2 GLU 27 -7.315 0.727 8.569 230 H SER 28 H SER 28 -2.742 0.787 7.972 231 HA SER 28 HA SER 28 -1.150 -1.687 8.092 232 HB2 SER 28 HB1 SER 28 0.352 -0.488 6.560 233 HB3 SER 28 HB2 SER 28 -1.326 -0.483 5.999 234 HG SER 28 HG SER 28 -1.530 1.572 6.513 235 H GLY 29 H GLY 29 -1.304 1.374 9.736 236 HA2 GLY 29 HA1 GLY 29 -0.270 1.998 11.694 237 HA3 GLY 29 HA2 GLY 29 0.822 0.604 11.584 238 H LEU 30 H LEU 30 0.991 1.903 8.555 239 HA LEU 30 HA LEU 30 3.590 3.153 8.994 240 HB2 LEU 30 HB1 LEU 30 1.841 3.059 6.490 241 HB3 LEU 30 HB2 LEU 30 3.541 3.465 6.536 242 HG LEU 30 HG LEU 30 2.519 0.718 7.365 243 HD11 LEU 30 HD11 LEU 30 3.215 -0.014 5.074 244 HD12 LEU 30 HD12 LEU 30 3.381 1.703 4.624 245 HD13 LEU 30 HD13 LEU 30 1.800 1.049 5.088 246 HD21 LEU 30 HD21 LEU 30 4.808 1.311 8.134 247 HD22 LEU 30 HD22 LEU 30 5.267 1.707 6.468 248 HD23 LEU 30 HD23 LEU 30 4.851 0.042 6.907 249 H SER 31 H SER 31 3.916 5.418 7.764 250 HA SER 31 HA SER 31 1.872 7.242 8.886 251 HB2 SER 31 HB1 SER 31 4.659 7.682 7.738 252 HB3 SER 31 HB2 SER 31 3.566 8.963 8.271 253 HG SER 31 HG SER 31 4.950 8.398 9.902 254 H THR 32 H THR 32 0.944 8.927 7.412 255 HA THR 32 HA THR 32 -0.024 7.695 5.061 256 HB THR 32 HB THR 32 -1.017 9.863 4.504 257 HG1 THR 32 HG1 THR 32 0.158 10.913 6.865 258 HG21 THR 32 HG21 THR 32 -1.278 9.085 7.443 259 HG22 THR 32 HG22 THR 32 -2.212 8.475 6.060 260 HG23 THR 32 HG23 THR 32 -2.366 10.166 6.569 261 H GLY 33 H GLY 33 2.595 10.055 5.518 262 HA2 GLY 33 HA1 GLY 33 3.232 10.582 2.840 263 HA3 GLY 33 HA2 GLY 33 4.317 10.694 4.230 264 H THR 34 H THR 34 3.983 7.672 4.820 265 HA THR 34 HA THR 34 6.209 6.805 3.254 266 HB THR 34 HB THR 34 4.297 5.122 4.905 267 HG1 THR 34 HG1 THR 34 6.540 6.507 5.954 268 HG21 THR 34 HG21 THR 34 6.019 4.015 3.499 269 HG22 THR 34 HG22 THR 34 6.253 3.733 5.248 270 HG23 THR 34 HG23 THR 34 7.273 4.907 4.361 271 H ILE 35 H ILE 35 2.782 5.751 3.432 272 HA ILE 35 HA ILE 35 2.796 3.838 1.387 273 HB ILE 35 HB ILE 35 0.665 5.771 2.316 274 HG12 ILE 35 HG11 ILE 35 0.869 2.817 3.033 275 HG13 ILE 35 HG12 ILE 35 1.743 4.015 3.970 276 HG21 ILE 35 HG21 ILE 35 -0.099 4.908 0.166 277 HG22 ILE 35 HG22 ILE 35 0.321 3.249 0.627 278 HG23 ILE 35 HG23 ILE 35 -1.026 4.088 1.400 279 HD11 ILE 35 HD11 ILE 35 -1.260 4.233 3.556 280 HD12 ILE 35 HD12 ILE 35 -0.490 3.331 4.872 281 HD13 ILE 35 HD13 ILE 35 -0.211 5.081 4.712 282 H SER 36 H SER 36 2.039 7.366 1.129 283 HA SER 36 HA SER 36 1.475 7.303 -1.638 284 HB2 SER 36 HB1 SER 36 1.993 9.785 -1.397 285 HB3 SER 36 HB2 SER 36 0.770 9.096 -0.320 286 HG SER 36 HG SER 36 2.097 10.478 0.819 287 H SER 37 H SER 37 4.734 7.952 0.085 288 HA SER 37 HA SER 37 5.927 8.641 -2.318 289 HB2 SER 37 HB1 SER 37 7.804 8.372 -0.847 290 HB3 SER 37 HB2 SER 37 6.628 9.481 -0.210 291 HG SER 37 HG SER 37 6.175 8.052 1.346 292 H PHE 38 H PHE 38 5.440 5.568 -0.535 293 HA PHE 38 HA PHE 38 7.186 3.938 -2.072 294 HB2 PHE 38 HB1 PHE 38 6.312 3.168 0.030 295 HB3 PHE 38 HB2 PHE 38 4.649 3.360 -0.497 296 HD1 PHE 38 HD2 PHE 38 3.578 1.759 -2.039 297 HD2 PHE 38 HD1 PHE 38 7.613 1.164 -0.630 298 HE1 PHE 38 HE2 PHE 38 3.519 -0.574 -2.859 299 HE2 PHE 38 HE1 PHE 38 7.528 -1.185 -1.422 300 HZ PHE 38 HZ PHE 38 5.488 -2.046 -2.565 301 H ILE 39 H ILE 39 3.641 4.527 -2.472 302 HA ILE 39 HA ILE 39 3.306 3.013 -4.790 303 HB ILE 39 HB ILE 39 1.841 5.482 -3.800 304 HG12 ILE 39 HG11 ILE 39 0.939 2.567 -3.796 305 HG13 ILE 39 HG12 ILE 39 1.848 3.245 -2.460 306 HG21 ILE 39 HG21 ILE 39 -0.046 4.765 -5.326 307 HG22 ILE 39 HG22 ILE 39 1.361 5.336 -6.198 308 HG23 ILE 39 HG23 ILE 39 1.056 3.590 -6.074 309 HD11 ILE 39 HD11 ILE 39 0.096 5.004 -2.188 310 HD12 ILE 39 HD12 ILE 39 -0.894 4.150 -3.396 311 HD13 ILE 39 HD13 ILE 39 -0.465 3.350 -1.882 312 H ASN 40 H ASN 40 4.679 6.286 -4.556 313 HA ASN 40 HA ASN 40 4.736 6.375 -7.526 314 HB2 ASN 40 HB1 ASN 40 5.121 8.584 -5.503 315 HB3 ASN 40 HB2 ASN 40 5.223 8.791 -7.247 316 HD21 ASN 40 HD22 ASN 40 3.092 7.466 -8.329 317 HD22 ASN 40 HD21 ASN 40 1.586 8.093 -7.664 318 H ASP 41 H ASP 41 6.676 4.797 -5.752 319 HA ASP 41 HA ASP 41 8.845 4.198 -5.738 320 HB2 ASP 41 HB1 ASP 41 8.886 5.718 -8.363 321 HB3 ASP 41 HB2 ASP 41 10.295 4.907 -7.734 322 H LYS 42 H LYS 42 7.980 7.146 -4.860 323 HA LYS 42 HA LYS 42 10.509 8.612 -4.808 324 HB2 LYS 42 HB1 LYS 42 7.911 8.994 -3.241 325 HB3 LYS 42 HB2 LYS 42 9.250 10.112 -3.224 326 HG2 LYS 42 HG1 LYS 42 7.446 9.443 -5.580 327 HG3 LYS 42 HG2 LYS 42 7.510 10.949 -4.677 328 HD2 LYS 42 HD1 LYS 42 9.649 9.820 -6.518 329 HD3 LYS 42 HD2 LYS 42 8.643 11.216 -6.825 330 HE2 LYS 42 HE1 LYS 42 10.622 11.055 -4.495 331 HE3 LYS 42 HE2 LYS 42 11.033 11.680 -6.091 332 HZ1 LYS 42 HZ1 LYS 42 9.358 13.353 -5.845 333 HZ2 LYS 42 HZ2 LYS 42 10.448 13.435 -4.607 334 HZ3 LYS 42 HZ3 LYS 42 8.941 12.830 -4.338 335 H TYR 43 H TYR 43 8.912 6.289 -2.707 336 HA TYR 43 HA TYR 43 10.413 7.017 -0.346 337 HB2 TYR 43 HB1 TYR 43 8.231 5.755 -0.377 338 HB3 TYR 43 HB2 TYR 43 9.113 4.341 -0.959 339 HD1 TYR 43 HD1 TYR 43 9.152 6.949 1.762 340 HD2 TYR 43 HD2 TYR 43 9.904 2.842 0.699 341 HE1 TYR 43 HE1 TYR 43 9.743 6.464 4.098 342 HE2 TYR 43 HE2 TYR 43 10.473 2.333 3.041 343 HH TYR 43 HH TYR 43 11.141 3.348 5.069 344 H ASN 44 H ASN 44 12.294 6.158 0.441 345 HA ASN 44 HA ASN 44 13.724 3.959 -0.841 346 HB2 ASN 44 HB1 ASN 44 14.433 5.763 -2.294 347 HB3 ASN 44 HB2 ASN 44 14.742 6.827 -0.926 348 HD21 ASN 44 HD22 ASN 44 16.829 6.862 -0.159 349 HD22 ASN 44 HD21 ASN 44 18.068 5.688 -0.485 350 H GLY 45 H GLY 45 12.984 3.239 1.309 351 HA2 GLY 45 HA1 GLY 45 14.985 3.604 3.341 352 HA3 GLY 45 HA2 GLY 45 13.495 4.453 3.773 353 H ASP 46 H ASP 46 14.405 1.311 2.317 354 HA ASP 46 HA ASP 46 13.964 -0.824 2.805 355 HB2 ASP 46 HB1 ASP 46 12.505 -0.096 5.354 356 HB3 ASP 46 HB2 ASP 46 13.122 -1.664 4.851 357 H ASN 47 H ASN 47 12.709 0.110 0.894 358 HA ASN 47 HA ASN 47 9.875 0.377 0.929 359 HB2 ASN 47 HB1 ASN 47 11.647 -0.652 -1.343 360 HB3 ASN 47 HB2 ASN 47 9.955 -0.206 -1.491 361 HD21 ASN 47 HD22 ASN 47 10.258 1.538 -2.984 362 HD22 ASN 47 HD21 ASN 47 11.129 2.985 -2.509 363 H GLU 48 H GLU 48 12.001 -2.383 0.913 364 HA GLU 48 HA GLU 48 10.240 -4.503 0.288 365 HB2 GLU 48 HB1 GLU 48 11.931 -5.865 1.532 366 HB3 GLU 48 HB2 GLU 48 12.565 -4.870 0.219 367 HG2 GLU 48 HG1 GLU 48 13.489 -3.253 1.809 368 HG3 GLU 48 HG2 GLU 48 12.725 -4.083 3.163 369 H ARG 49 H ARG 49 11.015 -2.917 3.419 370 HA ARG 49 HA ARG 49 9.452 -4.757 4.990 371 HB2 ARG 49 HB1 ARG 49 11.428 -3.131 5.658 372 HB3 ARG 49 HB2 ARG 49 10.166 -1.923 5.801 373 HG2 ARG 49 HG1 ARG 49 10.368 -2.700 7.953 374 HG3 ARG 49 HG2 ARG 49 8.992 -3.652 7.395 375 HD2 ARG 49 HD1 ARG 49 11.868 -4.686 7.289 376 HD3 ARG 49 HD2 ARG 49 10.901 -4.794 8.743 377 HE ARG 49 HE ARG 49 9.421 -6.269 7.825 378 HH11 ARG 49 HH11 ARG 49 12.411 -5.949 5.906 379 HH12 ARG 49 HH12 ARG 49 12.396 -7.625 5.476 380 HH21 ARG 49 HH21 ARG 49 9.249 -8.342 6.888 381 HH22 ARG 49 HH22 ARG 49 10.432 -8.874 5.737 382 H VAL 50 H VAL 50 8.922 -1.443 3.753 383 HA VAL 50 HA VAL 50 6.322 -1.019 4.711 384 HB VAL 50 HB VAL 50 7.657 -0.087 2.133 385 HG11 VAL 50 HG11 VAL 50 5.150 1.010 3.450 386 HG12 VAL 50 HG12 VAL 50 6.033 1.790 2.121 387 HG13 VAL 50 HG13 VAL 50 5.248 0.236 1.856 388 HG21 VAL 50 HG21 VAL 50 7.307 1.239 4.853 389 HG22 VAL 50 HG22 VAL 50 8.831 0.671 4.153 390 HG23 VAL 50 HG23 VAL 50 7.978 2.034 3.423 391 H SER 51 H SER 51 7.344 -2.587 1.627 392 HA SER 51 HA SER 51 4.729 -3.075 0.676 393 HB2 SER 51 HB1 SER 51 5.948 -5.051 -0.555 394 HB3 SER 51 HB2 SER 51 6.212 -3.365 -0.992 395 HG SER 51 HG SER 51 8.132 -3.365 0.152 396 H GLN 52 H GLN 52 6.734 -5.148 2.888 397 HA GLN 52 HA GLN 52 4.806 -7.272 2.895 398 HB2 GLN 52 HB1 GLN 52 6.912 -6.439 4.937 399 HB3 GLN 52 HB2 GLN 52 5.903 -7.870 5.086 400 HG2 GLN 52 HG1 GLN 52 7.918 -7.291 2.879 401 HG3 GLN 52 HG2 GLN 52 8.066 -8.491 4.142 402 HE21 GLN 52 HE22 GLN 52 6.997 -7.922 0.926 403 HE22 GLN 52 HE21 GLN 52 6.125 -9.397 0.656 404 H THR 53 H THR 53 4.953 -4.227 4.683 405 HA THR 53 HA THR 53 2.826 -4.986 6.533 406 HB THR 53 HB THR 53 4.062 -2.313 5.794 407 HG1 THR 53 HG1 THR 53 4.316 -3.889 8.154 408 HG21 THR 53 HG21 THR 53 1.842 -1.929 6.675 409 HG22 THR 53 HG22 THR 53 3.029 -1.543 7.936 410 HG23 THR 53 HG23 THR 53 2.102 -3.069 7.998 411 H LEU 54 H LEU 54 3.016 -3.270 3.385 412 HA LEU 54 HA LEU 54 0.245 -2.540 3.239 413 HB2 LEU 54 HB1 LEU 54 2.399 -2.994 1.130 414 HB3 LEU 54 HB2 LEU 54 0.783 -2.430 0.732 415 HG LEU 54 HG LEU 54 2.649 -0.942 2.636 416 HD11 LEU 54 HD11 LEU 54 3.027 0.613 0.760 417 HD12 LEU 54 HD12 LEU 54 2.135 -0.473 -0.323 418 HD13 LEU 54 HD13 LEU 54 3.652 -1.004 0.418 419 HD21 LEU 54 HD21 LEU 54 -0.068 -0.331 1.440 420 HD22 LEU 54 HD22 LEU 54 1.041 0.958 1.950 421 HD23 LEU 54 HD23 LEU 54 0.481 -0.242 3.122 422 H GLN 55 H GLN 55 2.083 -5.373 2.217 423 HA GLN 55 HA GLN 55 0.269 -6.772 0.666 424 HB2 GLN 55 HB1 GLN 55 2.560 -7.472 2.505 425 HB3 GLN 55 HB2 GLN 55 1.582 -8.787 1.917 426 HG2 GLN 55 HG1 GLN 55 2.430 -6.816 -0.128 427 HG3 GLN 55 HG2 GLN 55 3.719 -7.777 0.589 428 HE21 GLN 55 HE22 GLN 55 0.349 -8.285 -0.860 429 HE22 GLN 55 HE21 GLN 55 0.695 -9.949 -1.236 430 H ARG 56 H ARG 56 0.597 -7.010 4.271 431 HA ARG 56 HA ARG 56 -1.588 -8.889 4.424 432 HB2 ARG 56 HB1 ARG 56 -0.249 -7.124 6.480 433 HB3 ARG 56 HB2 ARG 56 -1.787 -7.899 6.839 434 HG2 ARG 56 HG1 ARG 56 -0.636 -10.111 5.969 435 HG3 ARG 56 HG2 ARG 56 0.873 -9.228 6.199 436 HD2 ARG 56 HD1 ARG 56 0.343 -10.568 8.178 437 HD3 ARG 56 HD2 ARG 56 0.219 -8.838 8.582 438 HE ARG 56 HE ARG 56 -2.262 -10.155 7.712 439 HH11 ARG 56 HH11 ARG 56 -0.256 -9.577 10.615 440 HH12 ARG 56 HH12 ARG 56 -1.671 -9.436 11.645 441 HH21 ARG 56 HH21 ARG 56 -4.050 -9.847 9.120 442 HH22 ARG 56 HH22 ARG 56 -3.809 -9.651 10.824 443 H TRP 57 H TRP 57 -1.591 -5.292 4.645 444 HA TRP 57 HA TRP 57 -4.333 -5.118 5.267 445 HB2 TRP 57 HB1 TRP 57 -2.667 -3.293 5.477 446 HB3 TRP 57 HB2 TRP 57 -2.538 -3.240 3.725 447 HD1 TRP 57 HD1 TRP 57 -4.968 -2.462 6.543 448 HE1 TRP 57 HE1 TRP 57 -6.857 -0.905 5.714 449 HE3 TRP 57 HE3 TRP 57 -3.825 -2.522 1.617 450 HZ2 TRP 57 HZ2 TRP 57 -7.633 0.294 3.170 451 HZ3 TRP 57 HZ3 TRP 57 -5.233 -1.286 -0.035 452 HH2 TRP 57 HH2 TRP 57 -7.146 0.086 0.735 453 H LEU 58 H LEU 58 -2.658 -5.217 2.045 454 HA LEU 58 HA LEU 58 -5.126 -4.847 0.631 455 HB2 LEU 58 HB1 LEU 58 -2.346 -5.103 -0.081 456 HB3 LEU 58 HB2 LEU 58 -3.256 -6.305 -1.000 457 HG LEU 58 HG LEU 58 -4.049 -3.398 -0.860 458 HD11 LEU 58 HD11 LEU 58 -3.086 -3.213 -3.145 459 HD12 LEU 58 HD12 LEU 58 -2.530 -4.901 -3.050 460 HD13 LEU 58 HD13 LEU 58 -1.829 -3.668 -1.975 461 HD21 LEU 58 HD21 LEU 58 -5.910 -4.783 -1.424 462 HD22 LEU 58 HD22 LEU 58 -4.973 -5.658 -2.661 463 HD23 LEU 58 HD23 LEU 58 -5.391 -3.939 -2.884 464 H GLU 59 H GLU 59 -3.301 -7.767 1.626 465 HA GLU 59 HA GLU 59 -4.837 -9.658 0.228 466 HB2 GLU 59 HB1 GLU 59 -3.310 -9.803 2.841 467 HB3 GLU 59 HB2 GLU 59 -4.254 -11.177 2.287 468 HG2 GLU 59 HG1 GLU 59 -2.015 -9.895 0.671 469 HG3 GLU 59 HG2 GLU 59 -1.859 -11.319 1.694 470 H LYS 60 H LYS 60 -5.476 -8.154 3.443 471 HA LYS 60 HA LYS 60 -7.858 -9.785 3.867 472 HB2 LYS 60 HB1 LYS 60 -8.347 -8.369 5.755 473 HB3 LYS 60 HB2 LYS 60 -6.666 -8.894 5.801 474 HG2 LYS 60 HG1 LYS 60 -5.844 -6.771 5.195 475 HG3 LYS 60 HG2 LYS 60 -7.419 -6.168 4.680 476 HD2 LYS 60 HD1 LYS 60 -6.744 -6.826 7.558 477 HD3 LYS 60 HD2 LYS 60 -6.580 -5.219 6.812 478 HE2 LYS 60 HE1 LYS 60 -8.999 -5.390 6.068 479 HE3 LYS 60 HE2 LYS 60 -9.140 -6.852 7.051 480 HZ1 LYS 60 HZ1 LYS 60 -9.910 -5.089 8.297 481 HZ2 LYS 60 HZ2 LYS 60 -8.627 -4.100 8.002 482 HZ3 LYS 60 HZ3 LYS 60 -8.449 -5.440 8.963 483 H TYR 61 H TYR 61 -7.214 -6.734 2.264 484 HA TYR 61 HA TYR 61 -9.961 -5.882 2.205 485 HB2 TYR 61 HB1 TYR 61 -7.378 -4.867 1.415 486 HB3 TYR 61 HB2 TYR 61 -8.383 -4.842 0.017 487 HD1 TYR 61 HD2 TYR 61 -7.971 -3.660 3.509 488 HD2 TYR 61 HD1 TYR 61 -10.277 -3.266 -0.103 489 HE1 TYR 61 HE2 TYR 61 -9.074 -1.644 4.438 490 HE2 TYR 61 HE1 TYR 61 -11.310 -1.194 0.758 491 HH TYR 61 HH TYR 61 -11.763 -0.005 2.866 492 H HIS 62 H HIS 62 -7.801 -7.470 -0.181 493 HA HIS 62 HA HIS 62 -10.007 -7.938 -2.024 494 HB2 HIS 62 HB1 HIS 62 -7.046 -8.398 -1.981 495 HB3 HIS 62 HB2 HIS 62 -7.999 -9.366 -3.094 496 HD1 HIS 62 HD1 HIS 62 -8.407 -8.327 -5.368 497 HD2 HIS 62 HD2 HIS 62 -7.672 -5.543 -2.298 498 HE1 HIS 62 HE1 HIS 62 -8.293 -6.022 -6.487 499 H ALA 63 H ALA 63 -8.958 -10.021 0.690 500 HA ALA 63 HA ALA 63 -10.662 -12.111 -0.477 501 HB1 ALA 63 HB1 ALA 63 -7.776 -12.621 0.393 502 HB2 ALA 63 HB2 ALA 63 -8.964 -13.861 -0.055 503 HB3 ALA 63 HB3 ALA 63 -8.385 -12.710 -1.274 Start of MODEL 20 1 H1 GLY -1 H GLY -1 0.588 -15.788 -8.588 2 HA2 GLY -1 HA1 GLY -1 0.763 -17.226 -6.003 3 HA3 GLY -1 HA2 GLY -1 2.093 -17.120 -7.183 4 HA PRO 0 HA PRO 0 2.766 -13.585 -4.367 5 HB2 PRO 0 HB1 PRO 0 5.438 -13.185 -4.929 6 HB3 PRO 0 HB2 PRO 0 4.831 -14.411 -3.780 7 HG2 PRO 0 HG1 PRO 0 5.578 -14.797 -6.697 8 HG3 PRO 0 HG2 PRO 0 6.082 -15.788 -5.293 9 HD2 PRO 0 HD1 PRO 0 4.027 -16.570 -6.842 10 HD3 PRO 0 HD2 PRO 0 3.930 -16.751 -5.081 11 H MET 1 H MET 1 3.594 -11.355 -4.757 12 HA MET 1 HA MET 1 3.522 -10.423 -7.544 13 HB2 MET 1 HB1 MET 1 1.966 -8.650 -7.002 14 HB3 MET 1 HB2 MET 1 1.240 -10.247 -6.805 15 HG2 MET 1 HG1 MET 1 1.657 -10.069 -4.328 16 HG3 MET 1 HG2 MET 1 2.180 -8.406 -4.582 17 HE1 MET 1 HE1 MET 1 -0.131 -7.572 -6.948 18 HE2 MET 1 HE2 MET 1 -1.157 -6.686 -5.799 19 HE3 MET 1 HE3 MET 1 0.619 -6.591 -5.686 20 H ASN 2 H ASN 2 4.892 -8.853 -7.934 21 HA ASN 2 HA ASN 2 6.977 -8.227 -6.003 22 HB2 ASN 2 HB1 ASN 2 7.484 -8.534 -8.393 23 HB3 ASN 2 HB2 ASN 2 6.353 -7.230 -8.817 24 HD21 ASN 2 HD22 ASN 2 7.762 -5.671 -9.724 25 HD22 ASN 2 HD21 ASN 2 9.064 -4.963 -8.782 26 H ILE 3 H ILE 3 7.615 -6.038 -5.498 27 HA ILE 3 HA ILE 3 5.776 -4.446 -4.204 28 HB ILE 3 HB ILE 3 8.505 -3.719 -5.311 29 HG12 ILE 3 HG11 ILE 3 7.494 -4.850 -2.675 30 HG13 ILE 3 HG12 ILE 3 8.571 -5.635 -3.815 31 HG21 ILE 3 HG21 ILE 3 7.262 -1.670 -4.821 32 HG22 ILE 3 HG22 ILE 3 6.719 -2.337 -3.275 33 HG23 ILE 3 HG23 ILE 3 8.422 -1.923 -3.523 34 HD11 ILE 3 HD11 ILE 3 9.903 -4.960 -1.983 35 HD12 ILE 3 HD12 ILE 3 10.287 -3.848 -3.314 36 HD13 ILE 3 HD13 ILE 3 9.232 -3.323 -1.973 37 H SER 4 H SER 4 6.956 -3.953 -7.528 38 HA SER 4 HA SER 4 5.590 -1.573 -7.983 39 HB2 SER 4 HB1 SER 4 7.332 -2.497 -9.439 40 HB3 SER 4 HB2 SER 4 6.241 -3.800 -9.953 41 HG SER 4 HG SER 4 5.072 -2.443 -11.079 42 H ASP 5 H ASP 5 4.232 -4.919 -7.996 43 HA ASP 5 HA ASP 5 1.748 -4.076 -9.265 44 HB2 ASP 5 HB1 ASP 5 2.682 -6.668 -7.975 45 HB3 ASP 5 HB2 ASP 5 1.065 -6.421 -8.621 46 H ILE 6 H ILE 6 2.973 -4.676 -5.978 47 HA ILE 6 HA ILE 6 0.546 -4.823 -4.521 48 HB ILE 6 HB ILE 6 3.276 -3.721 -3.742 49 HG12 ILE 6 HG11 ILE 6 1.965 -6.380 -3.015 50 HG13 ILE 6 HG12 ILE 6 3.056 -6.188 -4.374 51 HG21 ILE 6 HG21 ILE 6 2.611 -3.902 -1.380 52 HG22 ILE 6 HG22 ILE 6 1.547 -2.777 -2.199 53 HG23 ILE 6 HG23 ILE 6 0.988 -4.427 -1.860 54 HD11 ILE 6 HD11 ILE 6 4.309 -7.084 -2.540 55 HD12 ILE 6 HD12 ILE 6 4.867 -5.450 -2.815 56 HD13 ILE 6 HD13 ILE 6 3.820 -5.752 -1.459 57 H ARG 7 H ARG 7 2.548 -1.963 -5.208 58 HA ARG 7 HA ARG 7 0.750 -0.070 -4.114 59 HB2 ARG 7 HB1 ARG 7 1.927 1.576 -5.573 60 HB3 ARG 7 HB2 ARG 7 3.027 0.587 -4.597 61 HG2 ARG 7 HG1 ARG 7 3.708 -0.688 -6.483 62 HG3 ARG 7 HG2 ARG 7 2.332 -0.157 -7.460 63 HD2 ARG 7 HD1 ARG 7 3.188 2.097 -7.549 64 HD3 ARG 7 HD2 ARG 7 4.622 1.595 -6.611 65 HE ARG 7 HE ARG 7 4.250 -0.128 -8.856 66 HH11 ARG 7 HH11 ARG 7 5.198 3.208 -8.114 67 HH12 ARG 7 HH12 ARG 7 6.446 3.300 -9.319 68 HH21 ARG 7 HH21 ARG 7 6.017 -0.101 -10.355 69 HH22 ARG 7 HH22 ARG 7 7.006 1.313 -10.513 70 H ALA 8 H ALA 8 0.629 -1.572 -7.372 71 HA ALA 8 HA ALA 8 -1.071 0.370 -8.547 72 HB1 ALA 8 HB1 ALA 8 -0.922 -2.605 -9.164 73 HB2 ALA 8 HB2 ALA 8 -1.571 -1.330 -10.207 74 HB3 ALA 8 HB3 ALA 8 0.156 -1.349 -9.813 75 H GLY 9 H GLY 9 -1.781 -2.545 -6.580 76 HA2 GLY 9 HA1 GLY 9 -4.601 -2.529 -6.869 77 HA3 GLY 9 HA2 GLY 9 -3.693 -3.171 -5.474 78 H LEU 10 H LEU 10 -2.441 -0.911 -4.490 79 HA LEU 10 HA LEU 10 -4.506 0.344 -3.023 80 HB2 LEU 10 HB1 LEU 10 -1.774 1.556 -3.574 81 HB3 LEU 10 HB2 LEU 10 -2.823 1.963 -2.241 82 HG LEU 10 HG LEU 10 -1.521 -0.771 -2.580 83 HD11 LEU 10 HD11 LEU 10 -0.853 1.477 -0.638 84 HD12 LEU 10 HD12 LEU 10 0.119 1.022 -2.062 85 HD13 LEU 10 HD13 LEU 10 -0.103 -0.140 -0.740 86 HD21 LEU 10 HD21 LEU 10 -3.278 0.470 -0.413 87 HD22 LEU 10 HD22 LEU 10 -2.312 -0.989 -0.164 88 HD23 LEU 10 HD23 LEU 10 -3.581 -0.978 -1.395 89 H ARG 11 H ARG 11 -2.975 1.387 -6.058 90 HA ARG 11 HA ARG 11 -4.152 4.029 -5.991 91 HB2 ARG 11 HB1 ARG 11 -3.586 2.437 -8.515 92 HB3 ARG 11 HB2 ARG 11 -3.793 4.182 -8.331 93 HG2 ARG 11 HG1 ARG 11 -1.671 4.157 -6.923 94 HG3 ARG 11 HG2 ARG 11 -1.470 2.469 -7.456 95 HD2 ARG 11 HD1 ARG 11 -1.642 3.218 -9.826 96 HD3 ARG 11 HD2 ARG 11 -1.734 4.887 -9.282 97 HE ARG 11 HE ARG 11 0.493 4.761 -8.437 98 HH11 ARG 11 HH11 ARG 11 -0.349 2.045 -10.660 99 HH12 ARG 11 HH12 ARG 11 1.304 1.801 -11.104 100 HH21 ARG 11 HH21 ARG 11 2.658 4.402 -9.184 101 HH22 ARG 11 HH22 ARG 11 2.964 3.096 -10.295 102 H THR 12 H THR 12 -5.146 0.868 -7.372 103 HA THR 12 HA THR 12 -7.552 1.741 -8.576 104 HB THR 12 HB THR 12 -6.652 -0.931 -7.440 105 HG1 THR 12 HG1 THR 12 -7.079 -0.167 -10.113 106 HG21 THR 12 HG21 THR 12 -9.168 -0.357 -9.056 107 HG22 THR 12 HG22 THR 12 -9.045 -1.142 -7.467 108 HG23 THR 12 HG23 THR 12 -8.418 -1.961 -8.903 109 H LEU 13 H LEU 13 -6.902 0.649 -5.241 110 HA LEU 13 HA LEU 13 -9.613 0.744 -4.416 111 HB2 LEU 13 HB1 LEU 13 -7.076 1.080 -2.797 112 HB3 LEU 13 HB2 LEU 13 -8.696 0.875 -2.104 113 HG LEU 13 HG LEU 13 -7.200 -1.143 -3.753 114 HD11 LEU 13 HD11 LEU 13 -7.942 -1.181 -0.852 115 HD12 LEU 13 HD12 LEU 13 -6.318 -0.862 -1.536 116 HD13 LEU 13 HD13 LEU 13 -7.076 -2.453 -1.743 117 HD21 LEU 13 HD21 LEU 13 -9.044 -2.718 -3.132 118 HD22 LEU 13 HD22 LEU 13 -9.587 -1.443 -4.216 119 HD23 LEU 13 HD23 LEU 13 -9.950 -1.353 -2.468 120 H VAL 14 H VAL 14 -7.050 3.302 -4.067 121 HA VAL 14 HA VAL 14 -9.013 5.100 -2.921 122 HB VAL 14 HB VAL 14 -7.408 6.895 -3.207 123 HG11 VAL 14 HG11 VAL 14 -6.142 4.356 -2.105 124 HG12 VAL 14 HG12 VAL 14 -5.688 6.036 -1.707 125 HG13 VAL 14 HG13 VAL 14 -7.279 5.422 -1.257 126 HG21 VAL 14 HG21 VAL 14 -5.156 6.532 -4.089 127 HG22 VAL 14 HG22 VAL 14 -5.601 4.889 -4.592 128 HG23 VAL 14 HG23 VAL 14 -6.362 6.286 -5.356 129 H GLU 15 H GLU 15 -8.076 4.470 -6.272 130 HA GLU 15 HA GLU 15 -9.362 6.713 -7.479 131 HB2 GLU 15 HB1 GLU 15 -8.552 3.946 -8.392 132 HB3 GLU 15 HB2 GLU 15 -9.298 5.103 -9.489 133 HG2 GLU 15 HG1 GLU 15 -6.865 5.967 -7.880 134 HG3 GLU 15 HG2 GLU 15 -6.649 4.917 -9.272 135 H ASN 16 H ASN 16 -10.618 3.689 -6.288 136 HA ASN 16 HA ASN 16 -13.318 4.252 -7.469 137 HB2 ASN 16 HB1 ASN 16 -12.075 1.720 -6.343 138 HB3 ASN 16 HB2 ASN 16 -13.800 1.883 -6.672 139 HD21 ASN 16 HD22 ASN 16 -10.610 2.003 -8.205 140 HD22 ASN 16 HD21 ASN 16 -11.172 1.660 -9.831 141 H GLU 17 H GLU 17 -11.857 5.465 -4.963 142 HA GLU 17 HA GLU 17 -12.325 6.130 -2.868 143 HB2 GLU 17 HB1 GLU 17 -15.107 5.939 -4.063 144 HB3 GLU 17 HB2 GLU 17 -14.888 6.493 -2.424 145 HG2 GLU 17 HG1 GLU 17 -13.619 7.755 -4.877 146 HG3 GLU 17 HG2 GLU 17 -15.032 8.359 -4.007 147 H GLU 18 H GLU 18 -12.158 3.144 -3.389 148 HA GLU 18 HA GLU 18 -13.749 1.696 -1.514 149 HB2 GLU 18 HB1 GLU 18 -10.907 1.166 -2.451 150 HB3 GLU 18 HB2 GLU 18 -11.947 -0.005 -1.704 151 HG2 GLU 18 HG1 GLU 18 -12.829 1.311 -4.283 152 HG3 GLU 18 HG2 GLU 18 -11.581 0.078 -4.330 153 H THR 19 H THR 19 -10.632 3.357 -1.299 154 HA THR 19 HA THR 19 -10.759 3.341 1.639 155 HB THR 19 HB THR 19 -9.460 1.327 0.631 156 HG1 THR 19 HG1 THR 19 -9.183 1.649 2.667 157 HG21 THR 19 HG21 THR 19 -7.219 3.329 0.273 158 HG22 THR 19 HG22 THR 19 -8.217 2.782 -1.082 159 HG23 THR 19 HG23 THR 19 -7.253 1.610 -0.182 160 H THR 20 H THR 20 -8.684 4.683 2.355 161 HA THR 20 HA THR 20 -8.169 6.990 0.566 162 HB THR 20 HB THR 20 -8.988 7.182 3.496 163 HG1 THR 20 HG1 THR 20 -10.554 7.614 1.183 164 HG21 THR 20 HG21 THR 20 -9.444 9.557 2.996 165 HG22 THR 20 HG22 THR 20 -8.813 9.337 1.360 166 HG23 THR 20 HG23 THR 20 -7.736 9.159 2.761 167 H PHE 21 H PHE 21 -6.117 7.995 1.113 168 HA PHE 21 HA PHE 21 -4.046 6.323 1.970 169 HB2 PHE 21 HB1 PHE 21 -4.293 9.358 1.986 170 HB3 PHE 21 HB2 PHE 21 -2.818 8.519 2.423 171 HD1 PHE 21 HD2 PHE 21 -2.198 6.514 0.601 172 HD2 PHE 21 HD1 PHE 21 -4.334 10.176 -0.240 173 HE1 PHE 21 HE2 PHE 21 -1.588 6.343 -1.790 174 HE2 PHE 21 HE1 PHE 21 -3.722 9.974 -2.627 175 HZ PHE 21 HZ PHE 21 -2.313 8.077 -3.403 176 H LYS 22 H LYS 22 -5.973 8.577 3.942 177 HA LYS 22 HA LYS 22 -4.502 8.324 6.365 178 HB2 LYS 22 HB1 LYS 22 -7.316 9.102 5.599 179 HB3 LYS 22 HB2 LYS 22 -7.037 8.703 7.281 180 HG2 LYS 22 HG1 LYS 22 -5.092 10.635 6.019 181 HG3 LYS 22 HG2 LYS 22 -6.740 11.188 6.289 182 HD2 LYS 22 HD1 LYS 22 -5.589 11.832 8.226 183 HD3 LYS 22 HD2 LYS 22 -6.592 10.453 8.673 184 HE2 LYS 22 HE1 LYS 22 -4.565 8.975 8.401 185 HE3 LYS 22 HE2 LYS 22 -3.590 10.442 8.169 186 HZ1 LYS 22 HZ1 LYS 22 -3.599 9.677 10.468 187 HZ2 LYS 22 HZ2 LYS 22 -5.230 9.767 10.532 188 HZ3 LYS 22 HZ3 LYS 22 -4.321 11.149 10.383 189 H GLN 23 H GLN 23 -7.197 6.355 5.026 190 HA GLN 23 HA GLN 23 -7.343 4.650 7.284 191 HB2 GLN 23 HB1 GLN 23 -9.027 5.084 5.218 192 HB3 GLN 23 HB2 GLN 23 -8.197 3.693 4.544 193 HG2 GLN 23 HG1 GLN 23 -10.206 3.008 5.779 194 HG3 GLN 23 HG2 GLN 23 -8.762 2.365 6.562 195 HE21 GLN 23 HE22 GLN 23 -9.600 2.213 8.761 196 HE22 GLN 23 HE21 GLN 23 -10.295 3.595 9.553 197 H ILE 24 H ILE 24 -5.745 4.165 4.036 198 HA ILE 24 HA ILE 24 -4.746 1.608 4.545 199 HB ILE 24 HB ILE 24 -3.224 3.793 3.069 200 HG12 ILE 24 HG11 ILE 24 -5.096 1.792 1.746 201 HG13 ILE 24 HG12 ILE 24 -5.625 3.399 2.192 202 HG21 ILE 24 HG21 ILE 24 -3.167 0.747 2.760 203 HG22 ILE 24 HG22 ILE 24 -2.162 1.896 1.859 204 HG23 ILE 24 HG23 ILE 24 -1.924 1.690 3.589 205 HD11 ILE 24 HD11 ILE 24 -3.863 4.409 0.764 206 HD12 ILE 24 HD12 ILE 24 -3.362 2.788 0.246 207 HD13 ILE 24 HD13 ILE 24 -4.972 3.378 -0.151 208 H ALA 25 H ALA 25 -3.275 4.775 5.399 209 HA ALA 25 HA ALA 25 -0.956 3.728 6.698 210 HB1 ALA 25 HB1 ALA 25 -1.138 6.053 5.922 211 HB2 ALA 25 HB2 ALA 25 -2.526 6.341 6.966 212 HB3 ALA 25 HB3 ALA 25 -0.932 6.079 7.682 213 H LEU 26 H LEU 26 -4.165 4.662 8.014 214 HA LEU 26 HA LEU 26 -3.488 4.339 10.760 215 HB2 LEU 26 HB1 LEU 26 -5.577 5.467 9.906 216 HB3 LEU 26 HB2 LEU 26 -6.168 3.902 9.365 217 HG LEU 26 HG LEU 26 -5.899 3.156 11.861 218 HD11 LEU 26 HD11 LEU 26 -4.559 5.096 12.618 219 HD12 LEU 26 HD12 LEU 26 -6.100 5.002 13.477 220 HD13 LEU 26 HD13 LEU 26 -5.895 6.186 12.184 221 HD21 LEU 26 HD21 LEU 26 -8.001 5.138 10.945 222 HD22 LEU 26 HD22 LEU 26 -8.126 4.127 12.407 223 HD23 LEU 26 HD23 LEU 26 -8.035 3.370 10.813 224 H GLU 27 H GLU 27 -5.170 2.128 8.544 225 HA GLU 27 HA GLU 27 -5.342 -0.089 10.241 226 HB2 GLU 27 HB1 GLU 27 -5.196 0.170 7.214 227 HB3 GLU 27 HB2 GLU 27 -5.698 -1.301 8.052 228 HG2 GLU 27 HG1 GLU 27 -7.145 1.382 8.069 229 HG3 GLU 27 HG2 GLU 27 -7.639 -0.090 7.241 230 H SER 28 H SER 28 -2.748 0.734 7.847 231 HA SER 28 HA SER 28 -1.332 -1.764 8.382 232 HB2 SER 28 HB1 SER 28 0.365 -0.834 6.875 233 HB3 SER 28 HB2 SER 28 -1.253 -0.663 6.169 234 HG SER 28 HG SER 28 -1.269 1.416 6.550 235 H GLY 29 H GLY 29 -1.356 1.434 9.827 236 HA2 GLY 29 HA1 GLY 29 -0.348 2.108 11.774 237 HA3 GLY 29 HA2 GLY 29 0.696 0.670 11.775 238 H LEU 30 H LEU 30 0.826 1.879 8.655 239 HA LEU 30 HA LEU 30 3.485 3.040 9.091 240 HB2 LEU 30 HB1 LEU 30 1.874 2.727 6.520 241 HB3 LEU 30 HB2 LEU 30 3.578 3.134 6.627 242 HG LEU 30 HG LEU 30 2.372 0.465 7.497 243 HD11 LEU 30 HD11 LEU 30 4.001 1.276 5.061 244 HD12 LEU 30 HD12 LEU 30 2.277 0.825 5.074 245 HD13 LEU 30 HD13 LEU 30 3.505 -0.384 5.466 246 HD21 LEU 30 HD21 LEU 30 4.743 -0.281 7.582 247 HD22 LEU 30 HD22 LEU 30 4.407 0.967 8.781 248 HD23 LEU 30 HD23 LEU 30 5.281 1.387 7.293 249 H SER 31 H SER 31 4.037 5.066 7.882 250 HA SER 31 HA SER 31 2.237 7.211 8.703 251 HB2 SER 31 HB1 SER 31 4.792 7.165 8.804 252 HB3 SER 31 HB2 SER 31 4.788 7.349 7.040 253 HG SER 31 HG SER 31 4.991 9.332 8.079 254 H THR 32 H THR 32 1.091 8.656 7.253 255 HA THR 32 HA THR 32 0.110 7.508 4.834 256 HB THR 32 HB THR 32 -0.764 9.833 4.360 257 HG1 THR 32 HG1 THR 32 0.420 11.286 5.270 258 HG21 THR 32 HG21 THR 32 -2.314 9.947 6.257 259 HG22 THR 32 HG22 THR 32 -1.324 8.781 7.162 260 HG23 THR 32 HG23 THR 32 -2.134 8.297 5.652 261 H GLY 33 H GLY 33 2.589 10.024 5.390 262 HA2 GLY 33 HA1 GLY 33 3.272 10.634 2.757 263 HA3 GLY 33 HA2 GLY 33 4.381 10.709 4.130 264 H THR 34 H THR 34 4.260 7.818 4.712 265 HA THR 34 HA THR 34 6.366 6.959 2.963 266 HB THR 34 HB THR 34 4.685 5.538 5.066 267 HG1 THR 34 HG1 THR 34 6.527 7.282 5.368 268 HG21 THR 34 HG21 THR 34 6.470 3.786 4.999 269 HG22 THR 34 HG22 THR 34 7.049 4.519 3.473 270 HG23 THR 34 HG23 THR 34 5.425 3.822 3.570 271 H ILE 35 H ILE 35 2.944 5.807 3.355 272 HA ILE 35 HA ILE 35 2.939 3.987 1.229 273 HB ILE 35 HB ILE 35 0.733 5.691 2.445 274 HG12 ILE 35 HG11 ILE 35 1.161 2.709 2.747 275 HG13 ILE 35 HG12 ILE 35 2.103 3.816 3.738 276 HG21 ILE 35 HG21 ILE 35 -0.088 5.016 0.225 277 HG22 ILE 35 HG22 ILE 35 0.440 3.345 0.507 278 HG23 ILE 35 HG23 ILE 35 -0.890 4.041 1.449 279 HD11 ILE 35 HD11 ILE 35 -0.934 3.926 3.667 280 HD12 ILE 35 HD12 ILE 35 0.028 3.011 4.847 281 HD13 ILE 35 HD13 ILE 35 0.193 4.778 4.738 282 H SER 36 H SER 36 1.989 7.471 1.125 283 HA SER 36 HA SER 36 1.315 7.415 -1.646 284 HB2 SER 36 HB1 SER 36 1.901 9.950 -1.406 285 HB3 SER 36 HB2 SER 36 0.527 9.272 -0.538 286 HG SER 36 HG SER 36 2.657 10.542 0.428 287 H SER 37 H SER 37 4.417 7.956 0.000 288 HA SER 37 HA SER 37 5.734 8.744 -2.474 289 HB2 SER 37 HB1 SER 37 6.366 9.412 -0.093 290 HB3 SER 37 HB2 SER 37 7.136 7.821 0.037 291 HG SER 37 HG SER 37 7.634 9.942 -1.813 292 H PHE 38 H PHE 38 5.407 5.716 -0.606 293 HA PHE 38 HA PHE 38 7.113 4.012 -2.018 294 HB2 PHE 38 HB1 PHE 38 6.167 3.413 0.094 295 HB3 PHE 38 HB2 PHE 38 4.525 3.606 -0.474 296 HD1 PHE 38 HD1 PHE 38 7.558 1.445 -0.846 297 HD2 PHE 38 HD2 PHE 38 3.267 1.769 -1.296 298 HE1 PHE 38 HE1 PHE 38 7.399 -0.984 -1.226 299 HE2 PHE 38 HE2 PHE 38 3.137 -0.643 -1.765 300 HZ PHE 38 HZ PHE 38 5.181 -2.029 -1.713 301 H ILE 39 H ILE 39 3.608 4.663 -2.598 302 HA ILE 39 HA ILE 39 3.364 3.028 -4.871 303 HB ILE 39 HB ILE 39 1.920 5.577 -4.056 304 HG12 ILE 39 HG11 ILE 39 0.847 2.726 -3.911 305 HG13 ILE 39 HG12 ILE 39 1.827 3.375 -2.612 306 HG21 ILE 39 HG21 ILE 39 1.009 3.581 -6.184 307 HG22 ILE 39 HG22 ILE 39 0.091 4.974 -5.584 308 HG23 ILE 39 HG23 ILE 39 1.568 5.239 -6.493 309 HD11 ILE 39 HD11 ILE 39 0.237 5.242 -2.335 310 HD12 ILE 39 HD12 ILE 39 -0.811 4.520 -3.583 311 HD13 ILE 39 HD13 ILE 39 -0.506 3.653 -2.071 312 H ASN 40 H ASN 40 4.456 6.413 -4.661 313 HA ASN 40 HA ASN 40 4.783 6.684 -7.565 314 HB2 ASN 40 HB1 ASN 40 5.558 8.420 -5.173 315 HB3 ASN 40 HB2 ASN 40 5.902 8.865 -6.845 316 HD21 ASN 40 HD22 ASN 40 3.817 9.886 -4.602 317 HD22 ASN 40 HD21 ASN 40 2.436 10.129 -5.668 318 H ASP 41 H ASP 41 6.536 4.958 -5.364 319 HA ASP 41 HA ASP 41 8.531 4.160 -5.123 320 HB2 ASP 41 HB1 ASP 41 8.002 3.409 -7.521 321 HB3 ASP 41 HB2 ASP 41 9.280 4.536 -8.008 322 H LYS 42 H LYS 42 8.281 6.518 -4.190 323 HA LYS 42 HA LYS 42 10.859 7.939 -4.678 324 HB2 LYS 42 HB1 LYS 42 8.156 9.082 -3.875 325 HB3 LYS 42 HB2 LYS 42 9.674 9.991 -3.800 326 HG2 LYS 42 HG1 LYS 42 8.407 8.824 -6.312 327 HG3 LYS 42 HG2 LYS 42 8.304 10.501 -5.796 328 HD2 LYS 42 HD1 LYS 42 10.772 10.727 -6.011 329 HD3 LYS 42 HD2 LYS 42 10.872 9.041 -6.578 330 HE2 LYS 42 HE1 LYS 42 9.488 9.508 -8.500 331 HE3 LYS 42 HE2 LYS 42 9.115 11.138 -7.914 332 HZ1 LYS 42 HZ1 LYS 42 11.450 11.710 -8.206 333 HZ2 LYS 42 HZ2 LYS 42 10.779 11.199 -9.606 334 HZ3 LYS 42 HZ3 LYS 42 11.765 10.188 -8.811 335 H TYR 43 H TYR 43 9.167 5.930 -2.575 336 HA TYR 43 HA TYR 43 10.314 7.094 -0.105 337 HB2 TYR 43 HB1 TYR 43 8.095 5.831 -0.066 338 HB3 TYR 43 HB2 TYR 43 8.972 4.373 -0.519 339 HD1 TYR 43 HD1 TYR 43 8.743 7.087 2.052 340 HD2 TYR 43 HD2 TYR 43 10.117 3.090 1.188 341 HE1 TYR 43 HE1 TYR 43 9.312 6.763 4.447 342 HE2 TYR 43 HE2 TYR 43 10.655 2.746 3.572 343 HH TYR 43 HH TYR 43 10.504 5.436 5.959 344 H ASN 44 H ASN 44 12.493 6.665 0.206 345 HA ASN 44 HA ASN 44 13.721 4.336 -1.224 346 HB2 ASN 44 HB1 ASN 44 14.261 6.358 -2.401 347 HB3 ASN 44 HB2 ASN 44 14.644 7.207 -0.904 348 HD21 ASN 44 HD22 ASN 44 16.557 6.343 0.375 349 HD22 ASN 44 HD21 ASN 44 17.908 5.748 -0.583 350 H GLY 45 H GLY 45 14.025 2.899 0.449 351 HA2 GLY 45 HA1 GLY 45 16.023 3.068 2.247 352 HA3 GLY 45 HA2 GLY 45 14.669 3.776 3.149 353 H ASP 46 H ASP 46 13.652 2.290 4.362 354 HA ASP 46 HA ASP 46 13.868 -0.586 3.854 355 HB2 ASP 46 HB1 ASP 46 12.488 1.095 5.970 356 HB3 ASP 46 HB2 ASP 46 12.339 -0.669 5.914 357 H ASN 47 H ASN 47 12.846 -0.014 1.642 358 HA ASN 47 HA ASN 47 10.023 0.469 1.360 359 HB2 ASN 47 HB1 ASN 47 12.058 -0.846 -0.485 360 HB3 ASN 47 HB2 ASN 47 10.380 -0.584 -0.935 361 HD21 ASN 47 HD22 ASN 47 10.144 1.243 -2.304 362 HD22 ASN 47 HD21 ASN 47 11.087 2.696 -2.013 363 H GLU 48 H GLU 48 11.930 -2.489 1.781 364 HA GLU 48 HA GLU 48 9.962 -4.384 0.996 365 HB2 GLU 48 HB1 GLU 48 12.165 -4.620 3.084 366 HB3 GLU 48 HB2 GLU 48 11.286 -5.966 2.331 367 HG2 GLU 48 HG1 GLU 48 12.206 -5.362 0.131 368 HG3 GLU 48 HG2 GLU 48 13.020 -3.955 0.831 369 H ARG 49 H ARG 49 10.772 -3.036 4.216 370 HA ARG 49 HA ARG 49 8.872 -4.490 5.709 371 HB2 ARG 49 HB1 ARG 49 10.719 -3.114 6.629 372 HB3 ARG 49 HB2 ARG 49 9.880 -1.638 6.130 373 HG2 ARG 49 HG1 ARG 49 8.031 -2.123 7.669 374 HG3 ARG 49 HG2 ARG 49 8.776 -3.687 8.094 375 HD2 ARG 49 HD1 ARG 49 10.711 -2.623 9.016 376 HD3 ARG 49 HD2 ARG 49 10.157 -1.016 8.484 377 HE ARG 49 HE ARG 49 8.114 -1.940 10.075 378 HH11 ARG 49 HH11 ARG 49 11.549 -1.056 10.428 379 HH12 ARG 49 HH12 ARG 49 11.388 -0.596 12.097 380 HH21 ARG 49 HH21 ARG 49 7.932 -1.449 12.308 381 HH22 ARG 49 HH22 ARG 49 9.248 -0.704 13.138 382 H VAL 50 H VAL 50 8.522 -1.472 3.867 383 HA VAL 50 HA VAL 50 5.800 -0.950 4.600 384 HB VAL 50 HB VAL 50 7.516 -0.118 2.253 385 HG11 VAL 50 HG11 VAL 50 4.811 0.995 3.042 386 HG12 VAL 50 HG12 VAL 50 5.956 1.807 1.949 387 HG13 VAL 50 HG13 VAL 50 5.282 0.241 1.504 388 HG21 VAL 50 HG21 VAL 50 6.785 1.359 4.808 389 HG22 VAL 50 HG22 VAL 50 8.365 0.667 4.404 390 HG23 VAL 50 HG23 VAL 50 7.756 2.022 3.465 391 H SER 51 H SER 51 7.258 -2.533 1.599 392 HA SER 51 HA SER 51 4.785 -3.079 0.434 393 HB2 SER 51 HB1 SER 51 5.928 -4.687 -0.947 394 HB3 SER 51 HB2 SER 51 6.908 -3.228 -0.778 395 HG SER 51 HG SER 51 7.682 -5.649 -0.438 396 H GLN 52 H GLN 52 6.728 -5.293 2.492 397 HA GLN 52 HA GLN 52 4.867 -7.432 2.532 398 HB2 GLN 52 HB1 GLN 52 6.738 -6.558 4.766 399 HB3 GLN 52 HB2 GLN 52 5.967 -8.127 4.614 400 HG2 GLN 52 HG1 GLN 52 8.105 -7.010 2.746 401 HG3 GLN 52 HG2 GLN 52 8.342 -8.196 4.006 402 HE21 GLN 52 HE22 GLN 52 6.485 -7.640 0.949 403 HE22 GLN 52 HE21 GLN 52 6.528 -9.293 0.437 404 H THR 53 H THR 53 4.980 -4.486 4.630 405 HA THR 53 HA THR 53 2.819 -5.436 6.290 406 HB THR 53 HB THR 53 3.781 -2.593 5.757 407 HG1 THR 53 HG1 THR 53 5.446 -3.663 6.597 408 HG21 THR 53 HG21 THR 53 1.567 -2.636 6.902 409 HG22 THR 53 HG22 THR 53 2.851 -2.080 7.989 410 HG23 THR 53 HG23 THR 53 2.222 -3.732 8.129 411 H LEU 54 H LEU 54 2.954 -3.520 3.267 412 HA LEU 54 HA LEU 54 0.132 -2.960 3.296 413 HB2 LEU 54 HB1 LEU 54 2.299 -2.669 1.194 414 HB3 LEU 54 HB2 LEU 54 0.634 -2.178 0.929 415 HG LEU 54 HG LEU 54 2.342 -1.062 3.181 416 HD11 LEU 54 HD11 LEU 54 3.207 -0.455 0.973 417 HD12 LEU 54 HD12 LEU 54 2.583 0.939 1.871 418 HD13 LEU 54 HD13 LEU 54 1.635 0.237 0.539 419 HD21 LEU 54 HD21 LEU 54 0.591 0.670 3.310 420 HD22 LEU 54 HD22 LEU 54 -0.037 -0.916 3.710 421 HD23 LEU 54 HD23 LEU 54 -0.376 -0.221 2.108 422 H GLN 55 H GLN 55 2.019 -5.713 2.184 423 HA GLN 55 HA GLN 55 0.036 -6.772 0.391 424 HB2 GLN 55 HB1 GLN 55 2.103 -8.262 2.098 425 HB3 GLN 55 HB2 GLN 55 1.116 -8.972 0.824 426 HG2 GLN 55 HG1 GLN 55 2.237 -6.804 -0.464 427 HG3 GLN 55 HG2 GLN 55 3.528 -7.275 0.646 428 HE21 GLN 55 HE22 GLN 55 1.197 -8.945 -1.582 429 HE22 GLN 55 HE21 GLN 55 2.451 -10.021 -2.222 430 H ARG 56 H ARG 56 0.837 -7.484 3.773 431 HA ARG 56 HA ARG 56 -1.317 -9.198 4.360 432 HB2 ARG 56 HB1 ARG 56 0.456 -7.337 6.003 433 HB3 ARG 56 HB2 ARG 56 -0.845 -8.227 6.749 434 HG2 ARG 56 HG1 ARG 56 0.358 -10.293 5.400 435 HG3 ARG 56 HG2 ARG 56 1.746 -9.214 5.534 436 HD2 ARG 56 HD1 ARG 56 1.825 -10.742 7.379 437 HD3 ARG 56 HD2 ARG 56 1.322 -9.180 8.063 438 HE ARG 56 HE ARG 56 -0.915 -10.818 7.234 439 HH11 ARG 56 HH11 ARG 56 1.377 -10.588 9.981 440 HH12 ARG 56 HH12 ARG 56 0.233 -11.276 11.090 441 HH21 ARG 56 HH21 ARG 56 -2.282 -11.692 8.624 442 HH22 ARG 56 HH22 ARG 56 -1.994 -11.787 10.347 443 H TRP 57 H TRP 57 -1.254 -5.782 4.126 444 HA TRP 57 HA TRP 57 -3.867 -5.343 5.465 445 HB2 TRP 57 HB1 TRP 57 -2.199 -3.573 5.607 446 HB3 TRP 57 HB2 TRP 57 -2.036 -3.527 3.854 447 HD1 TRP 57 HD1 TRP 57 -4.461 -2.513 6.628 448 HE1 TRP 57 HE1 TRP 57 -6.238 -0.933 5.696 449 HE3 TRP 57 HE3 TRP 57 -3.383 -2.928 1.666 450 HZ2 TRP 57 HZ2 TRP 57 -7.039 0.120 3.119 451 HZ3 TRP 57 HZ3 TRP 57 -4.915 -1.919 0.003 452 HH2 TRP 57 HH2 TRP 57 -6.689 -0.344 0.711 453 H LEU 58 H LEU 58 -2.579 -5.589 2.106 454 HA LEU 58 HA LEU 58 -4.996 -4.893 0.811 455 HB2 LEU 58 HB1 LEU 58 -2.361 -5.517 0.037 456 HB3 LEU 58 HB2 LEU 58 -3.274 -6.834 -0.649 457 HG LEU 58 HG LEU 58 -3.882 -3.876 -0.977 458 HD11 LEU 58 HD11 LEU 58 -2.834 -3.932 -3.121 459 HD12 LEU 58 HD12 LEU 58 -2.932 -5.700 -3.217 460 HD13 LEU 58 HD13 LEU 58 -1.734 -4.964 -2.168 461 HD21 LEU 58 HD21 LEU 58 -5.332 -4.497 -2.848 462 HD22 LEU 58 HD22 LEU 58 -5.906 -4.935 -1.255 463 HD23 LEU 58 HD23 LEU 58 -5.209 -6.197 -2.321 464 H GLU 59 H GLU 59 -3.635 -8.058 1.689 465 HA GLU 59 HA GLU 59 -5.453 -9.677 0.297 466 HB2 GLU 59 HB1 GLU 59 -4.807 -11.455 1.854 467 HB3 GLU 59 HB2 GLU 59 -3.411 -10.527 1.264 468 HG2 GLU 59 HG1 GLU 59 -3.250 -9.335 3.311 469 HG3 GLU 59 HG2 GLU 59 -4.623 -10.212 4.014 470 H LYS 60 H LYS 60 -5.721 -8.520 3.621 471 HA LYS 60 HA LYS 60 -8.327 -9.666 4.068 472 HB2 LYS 60 HB1 LYS 60 -8.473 -8.326 6.074 473 HB3 LYS 60 HB2 LYS 60 -6.876 -9.071 5.961 474 HG2 LYS 60 HG1 LYS 60 -5.922 -6.978 5.159 475 HG3 LYS 60 HG2 LYS 60 -7.506 -6.169 5.204 476 HD2 LYS 60 HD1 LYS 60 -5.989 -7.288 7.563 477 HD3 LYS 60 HD2 LYS 60 -6.044 -5.581 7.054 478 HE2 LYS 60 HE1 LYS 60 -8.569 -5.683 7.392 479 HE3 LYS 60 HE2 LYS 60 -8.317 -7.242 8.202 480 HZ1 LYS 60 HZ1 LYS 60 -8.301 -5.492 9.812 481 HZ2 LYS 60 HZ2 LYS 60 -7.209 -4.613 8.962 482 HZ3 LYS 60 HZ3 LYS 60 -6.746 -6.035 9.683 483 H TYR 61 H TYR 61 -7.293 -6.678 2.556 484 HA TYR 61 HA TYR 61 -9.761 -5.286 2.783 485 HB2 TYR 61 HB1 TYR 61 -7.209 -4.698 1.821 486 HB3 TYR 61 HB2 TYR 61 -8.158 -4.703 0.365 487 HD1 TYR 61 HD2 TYR 61 -7.954 -3.458 3.862 488 HD2 TYR 61 HD1 TYR 61 -9.716 -2.804 -0.029 489 HE1 TYR 61 HE2 TYR 61 -8.934 -1.359 4.679 490 HE2 TYR 61 HE1 TYR 61 -10.644 -0.664 0.743 491 HH TYR 61 HH TYR 61 -10.640 0.224 4.160 492 H HIS 62 H HIS 62 -8.387 -7.068 -0.073 493 HA HIS 62 HA HIS 62 -11.060 -7.124 -1.316 494 HB2 HIS 62 HB1 HIS 62 -8.585 -8.789 -1.902 495 HB3 HIS 62 HB2 HIS 62 -10.086 -8.861 -2.831 496 HD1 HIS 62 HD1 HIS 62 -10.412 -6.997 -4.672 497 HD2 HIS 62 HD2 HIS 62 -7.463 -6.226 -1.801 498 HE1 HIS 62 HE1 HIS 62 -9.203 -4.892 -5.460 499 H ALA 63 H ALA 63 -9.310 -9.256 0.835 500 HA ALA 63 HA ALA 63 -9.704 -10.973 2.040 501 HB1 ALA 63 HB1 ALA 63 -11.774 -11.375 3.094 502 HB2 ALA 63 HB2 ALA 63 -11.602 -9.623 2.943 503 HB3 ALA 63 HB3 ALA 63 -12.666 -10.520 1.838
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