NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503592 | 1wes | 11352 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 12.435 17.817 -1.810 2 HA2 GLY 1 1HA GLY 1 11.412 17.216 0.315 3 HA3 GLY 1 2HA GLY 1 12.103 15.611 0.123 4 H SER 2 H SER 2 12.881 16.043 2.334 5 HA SER 2 HA SER 2 15.078 17.943 2.544 6 HB2 SER 2 1HB SER 2 13.699 16.164 4.559 7 HB3 SER 2 2HB SER 2 15.123 17.128 4.950 8 HG SER 2 HG SER 2 12.661 17.927 5.039 9 H SER 3 H SER 3 17.164 17.419 2.415 10 HA SER 3 HA SER 3 18.192 15.182 1.321 11 HB2 SER 3 1HB SER 3 19.499 16.820 3.507 12 HB3 SER 3 2HB SER 3 20.348 15.715 2.425 13 HG SER 3 HG SER 3 20.477 17.822 1.631 14 H GLY 4 H GLY 4 17.817 15.685 4.828 15 HA2 GLY 4 1HA GLY 4 17.078 13.026 5.360 16 HA3 GLY 4 2HA GLY 4 18.807 13.185 5.632 17 H SER 5 H SER 5 16.070 13.035 7.253 18 HA SER 5 HA SER 5 17.131 14.546 9.491 19 HB2 SER 5 1HB SER 5 14.554 15.239 8.108 20 HB3 SER 5 2HB SER 5 14.746 15.534 9.836 21 HG SER 5 HG SER 5 16.620 16.452 7.926 22 H SER 6 H SER 6 16.911 13.381 11.280 23 HA SER 6 HA SER 6 15.595 10.887 11.301 24 HB2 SER 6 1HB SER 6 17.549 11.446 12.731 25 HB3 SER 6 2HB SER 6 16.520 12.520 13.678 26 HG SER 6 HG SER 6 15.789 9.830 13.301 27 H GLY 7 H GLY 7 13.949 10.261 12.980 28 HA2 GLY 7 1HA GLY 7 12.017 10.730 14.248 29 HA3 GLY 7 2HA GLY 7 12.055 12.383 13.651 30 H GLU 8 H GLU 8 11.954 9.194 12.059 31 HA GLU 8 HA GLU 8 9.936 10.205 10.225 32 HB2 GLU 8 1HB GLU 8 11.678 7.774 10.324 33 HB3 GLU 8 2HB GLU 8 10.232 7.757 9.324 34 HG2 GLU 8 1HG GLU 8 11.037 9.374 7.893 35 HG3 GLU 8 2HG GLU 8 12.177 10.005 9.080 36 H PHE 9 H PHE 9 8.315 8.254 9.601 37 HA PHE 9 HA PHE 9 6.411 7.160 10.191 38 HB2 PHE 9 1HB PHE 9 7.892 6.515 12.748 39 HB3 PHE 9 2HB PHE 9 6.493 5.662 12.103 40 HD1 PHE 9 HD2 PHE 9 10.076 6.345 11.616 41 HD2 PHE 9 HD1 PHE 9 6.722 4.023 10.403 42 HE1 PHE 9 HE2 PHE 9 11.575 4.831 10.386 43 HE2 PHE 9 HE1 PHE 9 8.215 2.504 9.171 44 HZ PHE 9 HZ PHE 9 10.645 2.907 9.160 45 H ALA 10 H ALA 10 6.340 9.862 10.590 46 HA ALA 10 HA ALA 10 4.734 10.099 13.050 47 HB1 ALA 10 1HB ALA 10 6.793 11.340 13.331 48 HB2 ALA 10 2HB ALA 10 6.510 12.201 11.818 49 HB3 ALA 10 3HB ALA 10 5.434 12.454 13.192 50 H ILE 11 H ILE 11 2.728 10.920 12.840 51 HA ILE 11 HA ILE 11 1.916 11.799 10.150 52 HB ILE 11 HB ILE 11 0.201 10.639 12.350 53 HG12 ILE 11 1HG1 ILE 11 0.921 9.391 9.697 54 HG13 ILE 11 2HG1 ILE 11 1.824 9.076 11.174 55 HG21 ILE 11 1HG2 ILE 11 -0.946 12.277 10.887 56 HG22 ILE 11 2HG2 ILE 11 -0.529 11.277 9.497 57 HG23 ILE 11 3HG2 ILE 11 -1.597 10.644 10.749 58 HD11 ILE 11 1HD1 ILE 11 -0.517 7.811 10.238 59 HD12 ILE 11 2HD1 ILE 11 0.379 7.503 11.725 60 HD13 ILE 11 3HD1 ILE 11 -0.933 8.681 11.714 61 H ASP 12 H ASP 12 1.747 13.931 9.997 62 HA ASP 12 HA ASP 12 1.157 15.548 12.337 63 HB2 ASP 12 1HB ASP 12 1.559 17.464 10.799 64 HB3 ASP 12 2HB ASP 12 2.913 16.339 10.873 65 HA PRO 13 HA PRO 13 -3.163 15.865 11.516 66 HB2 PRO 13 1HB PRO 13 -3.677 18.094 12.978 67 HB3 PRO 13 2HB PRO 13 -3.370 16.514 13.710 68 HG2 PRO 13 1HG PRO 13 -1.503 18.825 13.339 69 HG3 PRO 13 2HG PRO 13 -1.714 17.772 14.750 70 HD2 PRO 13 1HD PRO 13 0.316 17.455 12.986 71 HD3 PRO 13 2HD PRO 13 -0.425 16.089 13.845 72 H ASN 14 H ASN 14 -0.835 18.137 10.517 73 HA ASN 14 HA ASN 14 -2.570 20.104 9.407 74 HB2 ASN 14 1HB ASN 14 -0.291 20.708 9.901 75 HB3 ASN 14 2HB ASN 14 0.326 19.429 8.859 76 HD21 ASN 14 1HD2 ASN 14 0.966 20.042 6.933 77 HD22 ASN 14 2HD2 ASN 14 0.432 21.445 6.077 78 H GLU 15 H GLU 15 -0.710 17.431 7.963 79 HA GLU 15 HA GLU 15 -2.319 17.700 5.523 80 HB2 GLU 15 1HB GLU 15 0.376 16.539 6.111 81 HB3 GLU 15 2HB GLU 15 -0.525 15.962 4.716 82 HG2 GLU 15 1HG GLU 15 -0.667 18.270 3.880 83 HG3 GLU 15 2HG GLU 15 0.303 18.805 5.251 84 HA PRO 16 HA PRO 16 -4.650 14.107 6.569 85 HB2 PRO 16 1HB PRO 16 -5.575 13.502 4.089 86 HB3 PRO 16 2HB PRO 16 -6.193 14.857 5.041 87 HG2 PRO 16 1HG PRO 16 -4.185 14.861 2.820 88 HG3 PRO 16 2HG PRO 16 -5.526 15.982 3.117 89 HD2 PRO 16 1HD PRO 16 -2.964 16.573 3.763 90 HD3 PRO 16 2HD PRO 16 -4.347 17.171 4.701 91 H THR 17 H THR 17 -4.974 11.809 5.649 92 HA THR 17 HA THR 17 -2.473 10.769 4.510 93 HB THR 17 HB THR 17 -2.444 8.909 6.075 94 HG1 THR 17 HG1 THR 17 -4.025 8.580 7.506 95 HG21 THR 17 1HG2 THR 17 -1.076 10.449 7.032 96 HG22 THR 17 2HG2 THR 17 -2.329 10.449 8.272 97 HG23 THR 17 3HG2 THR 17 -2.313 11.705 7.034 98 H TYR 18 H TYR 18 -2.668 8.905 3.269 99 HA TYR 18 HA TYR 18 -5.421 7.994 2.747 100 HB2 TYR 18 1HB TYR 18 -3.234 8.390 0.695 101 HB3 TYR 18 2HB TYR 18 -4.849 7.769 0.372 102 HD1 TYR 18 HD2 TYR 18 -3.157 10.763 1.829 103 HD2 TYR 18 HD1 TYR 18 -6.484 9.243 -0.343 104 HE1 TYR 18 HE2 TYR 18 -3.959 13.059 1.462 105 HE2 TYR 18 HE1 TYR 18 -7.295 11.534 -0.717 106 HH TYR 18 HH TYR 18 -5.662 14.103 -0.605 107 H CYS 19 H CYS 19 -2.087 7.085 1.852 108 HA CYS 19 HA CYS 19 -2.357 4.430 1.439 109 HB2 CYS 19 1HB CYS 19 -0.223 5.810 1.375 110 HB3 CYS 19 2HB CYS 19 -0.091 5.523 3.107 111 H LEU 20 H LEU 20 -1.806 2.546 2.816 112 HA LEU 20 HA LEU 20 -3.562 2.317 4.980 113 HB2 LEU 20 1HB LEU 20 -1.140 0.601 4.475 114 HB3 LEU 20 2HB LEU 20 -2.597 0.156 5.361 115 HG LEU 20 HG LEU 20 -2.868 0.905 2.493 116 HD11 LEU 20 1HD1 LEU 20 -0.882 -0.701 2.825 117 HD12 LEU 20 2HD1 LEU 20 -2.131 -1.132 1.657 118 HD13 LEU 20 3HD1 LEU 20 -2.112 -1.892 3.249 119 HD21 LEU 20 1HD2 LEU 20 -4.426 -1.204 2.826 120 HD22 LEU 20 2HD2 LEU 20 -4.927 0.407 3.340 121 HD23 LEU 20 3HD2 LEU 20 -4.289 -0.738 4.521 122 H CYS 21 H CYS 21 -0.086 2.936 4.876 123 HA CYS 21 HA CYS 21 0.365 2.772 7.660 124 HB2 CYS 21 1HB CYS 21 2.476 3.927 7.192 125 HB3 CYS 21 2HB CYS 21 2.186 2.648 6.019 126 H ASN 22 H ASN 22 -1.488 4.919 5.966 127 HA ASN 22 HA ASN 22 -2.424 6.942 6.422 128 HB2 ASN 22 1HB ASN 22 -1.514 6.359 9.249 129 HB3 ASN 22 2HB ASN 22 -2.758 7.511 8.773 130 HD21 ASN 22 1HD2 ASN 22 -4.533 6.496 7.394 131 HD22 ASN 22 2HD2 ASN 22 -5.140 4.975 7.947 132 H GLN 23 H GLN 23 -0.128 7.343 5.229 133 HA GLN 23 HA GLN 23 1.161 9.497 6.769 134 HB2 GLN 23 1HB GLN 23 2.374 7.387 5.017 135 HB3 GLN 23 2HB GLN 23 3.176 8.940 5.210 136 HG2 GLN 23 1HG GLN 23 2.369 7.235 7.545 137 HG3 GLN 23 2HG GLN 23 3.927 7.074 6.735 138 HE21 GLN 23 1HE2 GLN 23 4.872 9.440 6.322 139 HE22 GLN 23 2HE2 GLN 23 4.974 10.391 7.760 140 H VAL 24 H VAL 24 2.012 11.265 5.495 141 HA VAL 24 HA VAL 24 0.190 12.189 3.553 142 HB VAL 24 HB VAL 24 1.784 14.044 3.197 143 HG11 VAL 24 1HG1 VAL 24 1.509 13.432 6.131 144 HG12 VAL 24 2HG1 VAL 24 1.554 15.015 5.353 145 HG13 VAL 24 3HG1 VAL 24 0.164 13.954 5.119 146 HG21 VAL 24 1HG2 VAL 24 3.643 13.504 5.278 147 HG22 VAL 24 2HG2 VAL 24 3.658 12.143 4.157 148 HG23 VAL 24 3HG2 VAL 24 3.958 13.776 3.564 149 H SER 25 H SER 25 0.135 12.012 1.400 150 HA SER 25 HA SER 25 1.361 10.113 -0.069 151 HB2 SER 25 1HB SER 25 -0.351 11.256 -1.178 152 HB3 SER 25 2HB SER 25 0.362 12.836 -0.854 153 HG SER 25 HG SER 25 0.769 11.148 -2.947 154 H TYR 26 H TYR 26 3.216 9.835 -1.255 155 HA TYR 26 HA TYR 26 5.141 11.888 -1.672 156 HB2 TYR 26 1HB TYR 26 6.806 11.356 -0.125 157 HB3 TYR 26 2HB TYR 26 5.334 11.253 0.834 158 HD1 TYR 26 HD1 TYR 26 7.942 9.279 -0.875 159 HD2 TYR 26 HD2 TYR 26 4.630 9.186 1.794 160 HE1 TYR 26 HE1 TYR 26 8.530 6.978 -0.235 161 HE2 TYR 26 HE2 TYR 26 5.209 6.885 2.443 162 HH TYR 26 HH TYR 26 7.961 5.197 0.962 163 H GLY 27 H GLY 27 7.190 10.993 -2.611 164 HA2 GLY 27 1HA GLY 27 8.153 9.758 -4.294 165 HA3 GLY 27 2HA GLY 27 7.622 8.373 -3.352 166 H GLU 28 H GLU 28 6.698 6.963 -4.681 167 HA GLU 28 HA GLU 28 5.030 7.961 -6.878 168 HB2 GLU 28 1HB GLU 28 6.218 5.225 -6.384 169 HB3 GLU 28 2HB GLU 28 5.203 5.640 -7.758 170 HG2 GLU 28 1HG GLU 28 7.490 5.677 -8.447 171 HG3 GLU 28 2HG GLU 28 6.876 7.329 -8.433 172 H MET 29 H MET 29 2.890 7.520 -7.031 173 HA MET 29 HA MET 29 1.680 5.642 -5.149 174 HB2 MET 29 1HB MET 29 1.224 8.587 -5.221 175 HB3 MET 29 2HB MET 29 -0.157 7.545 -4.907 176 HG2 MET 29 1HG MET 29 1.154 6.507 -3.051 177 HG3 MET 29 2HG MET 29 2.381 7.745 -3.310 178 HE1 MET 29 1HE MET 29 0.074 6.820 -0.844 179 HE2 MET 29 2HE MET 29 -1.188 8.040 -0.674 180 HE3 MET 29 3HE MET 29 -1.212 6.930 -2.045 181 H ILE 30 H ILE 30 -0.277 4.769 -5.832 182 HA ILE 30 HA ILE 30 -1.087 5.482 -8.575 183 HB ILE 30 HB ILE 30 -1.485 3.234 -9.121 184 HG12 ILE 30 1HG1 ILE 30 -2.627 2.499 -7.125 185 HG13 ILE 30 2HG1 ILE 30 -1.294 1.393 -7.442 186 HG21 ILE 30 1HG2 ILE 30 0.646 2.151 -8.816 187 HG22 ILE 30 2HG2 ILE 30 0.902 3.878 -9.058 188 HG23 ILE 30 3HG2 ILE 30 1.016 3.188 -7.439 189 HD11 ILE 30 1HD1 ILE 30 -1.198 1.738 -5.154 190 HD12 ILE 30 2HD1 ILE 30 0.023 2.845 -5.784 191 HD13 ILE 30 3HD1 ILE 30 -1.557 3.459 -5.299 192 H GLY 31 H GLY 31 -3.342 4.993 -9.110 193 HA2 GLY 31 1HA GLY 31 -5.068 5.483 -6.777 194 HA3 GLY 31 2HA GLY 31 -5.458 5.903 -8.438 195 H CYS 32 H CYS 32 -5.852 3.634 -5.972 196 HA CYS 32 HA CYS 32 -6.129 1.186 -7.093 197 HB2 CYS 32 1HB CYS 32 -6.631 1.424 -4.785 198 HB3 CYS 32 2HB CYS 32 -7.918 2.581 -5.107 199 H ASP 33 H ASP 33 -7.082 0.467 -8.867 200 HA ASP 33 HA ASP 33 -8.614 1.781 -10.651 201 HB2 ASP 33 1HB ASP 33 -7.709 -0.643 -10.717 202 HB3 ASP 33 2HB ASP 33 -9.271 -1.088 -10.036 203 H ASN 34 H ASN 34 -9.777 0.213 -7.720 204 HA ASN 34 HA ASN 34 -12.542 0.525 -8.264 205 HB2 ASN 34 1HB ASN 34 -11.526 -1.049 -6.571 206 HB3 ASN 34 2HB ASN 34 -11.251 0.350 -5.537 207 HD21 ASN 34 1HD2 ASN 34 -12.690 0.423 -3.984 208 HD22 ASN 34 2HD2 ASN 34 -14.374 0.069 -4.133 209 H GLU 35 H GLU 35 -13.250 2.528 -8.750 210 HA GLU 35 HA GLU 35 -12.295 4.945 -7.773 211 HB2 GLU 35 1HB GLU 35 -14.047 4.344 -9.666 212 HB3 GLU 35 2HB GLU 35 -15.203 4.684 -8.386 213 HG2 GLU 35 1HG GLU 35 -14.002 6.893 -8.082 214 HG3 GLU 35 2HG GLU 35 -13.183 6.537 -9.602 215 H GLN 36 H GLN 36 -15.260 3.256 -6.725 216 HA GLN 36 HA GLN 36 -16.181 4.766 -4.730 217 HB2 GLN 36 1HB GLN 36 -15.873 1.803 -4.934 218 HB3 GLN 36 2HB GLN 36 -16.458 2.487 -3.423 219 HG2 GLN 36 1HG GLN 36 -18.342 3.460 -4.503 220 HG3 GLN 36 2HG GLN 36 -17.705 3.058 -6.097 221 HE21 GLN 36 1HE2 GLN 36 -20.259 2.345 -5.124 222 HE22 GLN 36 2HE2 GLN 36 -20.332 0.621 -5.041 223 H CYS 37 H CYS 37 -13.298 2.734 -4.493 224 HA CYS 37 HA CYS 37 -12.624 2.750 -1.900 225 HB2 CYS 37 1HB CYS 37 -11.239 2.145 -4.071 226 HB3 CYS 37 2HB CYS 37 -10.503 3.716 -3.770 227 HA PRO 38 HA PRO 38 -12.856 7.055 -0.742 228 HB2 PRO 38 1HB PRO 38 -12.293 6.648 1.883 229 HB3 PRO 38 2HB PRO 38 -13.883 6.327 1.180 230 HG2 PRO 38 1HG PRO 38 -11.663 4.415 1.799 231 HG3 PRO 38 2HG PRO 38 -13.405 4.235 2.077 232 HD2 PRO 38 1HD PRO 38 -12.139 3.084 -0.021 233 HD3 PRO 38 2HD PRO 38 -13.821 3.643 -0.111 234 H ILE 39 H ILE 39 -10.171 4.951 -0.683 235 HA ILE 39 HA ILE 39 -8.351 7.082 0.187 236 HB ILE 39 HB ILE 39 -7.679 4.188 -0.341 237 HG12 ILE 39 1HG1 ILE 39 -8.071 5.469 2.361 238 HG13 ILE 39 2HG1 ILE 39 -9.370 4.626 1.523 239 HG21 ILE 39 1HG2 ILE 39 -5.767 5.662 -0.479 240 HG22 ILE 39 2HG2 ILE 39 -6.183 6.391 1.071 241 HG23 ILE 39 3HG2 ILE 39 -5.674 4.704 0.999 242 HD11 ILE 39 1HD1 ILE 39 -7.059 2.963 1.553 243 HD12 ILE 39 2HD1 ILE 39 -7.379 3.546 3.187 244 HD13 ILE 39 3HD1 ILE 39 -8.637 2.693 2.293 245 H GLU 40 H GLU 40 -8.640 4.641 -2.396 246 HA GLU 40 HA GLU 40 -7.589 4.529 -4.445 247 HB2 GLU 40 1HB GLU 40 -9.124 7.071 -4.272 248 HB3 GLU 40 2HB GLU 40 -8.088 6.849 -5.675 249 HG2 GLU 40 1HG GLU 40 -9.302 4.514 -5.775 250 HG3 GLU 40 2HG GLU 40 -10.543 5.385 -4.875 251 H TRP 41 H TRP 41 -5.755 5.254 -2.400 252 HA TRP 41 HA TRP 41 -3.678 6.384 -4.026 253 HB2 TRP 41 1HB TRP 41 -4.710 7.923 -1.639 254 HB3 TRP 41 2HB TRP 41 -3.134 8.208 -2.372 255 HD1 TRP 41 HD1 TRP 41 -6.527 9.500 -2.484 256 HE1 TRP 41 HE1 TRP 41 -6.949 10.857 -4.630 257 HE3 TRP 41 HE3 TRP 41 -2.465 8.004 -5.205 258 HZ2 TRP 41 HZ2 TRP 41 -5.723 11.242 -7.143 259 HZ3 TRP 41 HZ3 TRP 41 -2.163 8.913 -7.471 260 HH2 TRP 41 HH2 TRP 41 -3.760 10.499 -8.419 261 H PHE 42 H PHE 42 -2.017 5.099 -3.616 262 HA PHE 42 HA PHE 42 -1.293 4.515 -0.853 263 HB2 PHE 42 1HB PHE 42 -1.629 2.337 -2.925 264 HB3 PHE 42 2HB PHE 42 -1.042 2.119 -1.280 265 HD1 PHE 42 HD1 PHE 42 -3.983 2.878 -3.345 266 HD2 PHE 42 HD2 PHE 42 -2.543 2.037 0.571 267 HE1 PHE 42 HE1 PHE 42 -6.293 2.522 -2.576 268 HE2 PHE 42 HE2 PHE 42 -4.850 1.679 1.346 269 HZ PHE 42 HZ PHE 42 -6.729 1.921 -0.228 270 H HIS 43 H HIS 43 0.895 3.978 -0.559 271 HA HIS 43 HA HIS 43 2.645 5.075 -2.556 272 HB2 HIS 43 1HB HIS 43 3.395 3.677 0.017 273 HB3 HIS 43 2HB HIS 43 4.406 4.761 -0.934 274 HD2 HIS 43 HD2 HIS 43 2.312 7.266 -1.220 275 HE1 HIS 43 HE1 HIS 43 2.249 7.146 3.021 276 HE2 HIS 43 HE2 HIS 43 1.669 8.486 0.968 277 H PHE 44 H PHE 44 4.570 3.945 -3.346 278 HA PHE 44 HA PHE 44 3.871 1.393 -4.436 279 HB2 PHE 44 1HB PHE 44 6.246 3.213 -4.666 280 HB3 PHE 44 2HB PHE 44 6.332 1.569 -5.289 281 HD1 PHE 44 HD2 PHE 44 3.458 3.919 -5.316 282 HD2 PHE 44 HD1 PHE 44 6.393 1.842 -7.593 283 HE1 PHE 44 HE2 PHE 44 2.361 4.653 -7.392 284 HE2 PHE 44 HE1 PHE 44 5.301 2.573 -9.673 285 HZ PHE 44 HZ PHE 44 3.281 3.979 -9.574 286 H SER 45 H SER 45 6.797 2.360 -2.640 287 HA SER 45 HA SER 45 7.841 -0.056 -2.030 288 HB2 SER 45 1HB SER 45 7.643 2.349 -0.206 289 HB3 SER 45 2HB SER 45 8.691 0.964 0.099 290 HG SER 45 HG SER 45 8.861 2.926 -1.902 291 H CYS 46 H CYS 46 5.161 1.511 -0.336 292 HA CYS 46 HA CYS 46 4.868 -0.378 1.722 293 HB2 CYS 46 1HB CYS 46 3.101 1.691 0.486 294 HB3 CYS 46 2HB CYS 46 2.377 0.503 1.566 295 H VAL 47 H VAL 47 3.153 -0.089 -1.387 296 HA VAL 47 HA VAL 47 1.883 -2.665 -1.009 297 HB VAL 47 HB VAL 47 0.816 -2.257 -3.169 298 HG11 VAL 47 1HG1 VAL 47 -0.318 -0.070 -2.570 299 HG12 VAL 47 2HG1 VAL 47 -0.345 -1.331 -1.335 300 HG13 VAL 47 3HG1 VAL 47 0.787 0.015 -1.199 301 HG21 VAL 47 1HG2 VAL 47 2.330 -1.192 -4.541 302 HG22 VAL 47 2HG2 VAL 47 1.257 0.140 -4.113 303 HG23 VAL 47 3HG2 VAL 47 2.810 -0.038 -3.297 304 H SER 48 H SER 48 4.820 -2.502 -1.228 305 HA SER 48 HA SER 48 6.583 -3.425 -2.366 306 HB2 SER 48 1HB SER 48 4.456 -5.544 -2.760 307 HB3 SER 48 2HB SER 48 6.184 -5.797 -3.004 308 HG SER 48 HG SER 48 6.403 -6.014 -0.932 309 H LEU 49 H LEU 49 5.738 -1.526 -3.960 310 HA LEU 49 HA LEU 49 5.526 -2.765 -6.626 311 HB2 LEU 49 1HB LEU 49 4.211 -0.398 -5.428 312 HB3 LEU 49 2HB LEU 49 4.711 -0.263 -7.113 313 HG LEU 49 HG LEU 49 2.882 -2.405 -6.031 314 HD11 LEU 49 1HD1 LEU 49 1.096 -1.116 -6.453 315 HD12 LEU 49 2HD1 LEU 49 1.830 -0.385 -7.880 316 HD13 LEU 49 3HD1 LEU 49 2.235 0.219 -6.273 317 HD21 LEU 49 1HD2 LEU 49 4.395 -2.548 -8.251 318 HD22 LEU 49 2HD2 LEU 49 2.979 -1.720 -8.898 319 HD23 LEU 49 3HD2 LEU 49 2.800 -3.287 -8.106 320 H THR 50 H THR 50 7.005 -2.227 -8.138 321 HA THR 50 HA THR 50 9.225 -0.531 -7.273 322 HB THR 50 HB THR 50 9.030 -2.413 -9.632 323 HG1 THR 50 HG1 THR 50 10.351 -2.656 -7.115 324 HG21 THR 50 1HG2 THR 50 11.602 -1.354 -8.554 325 HG22 THR 50 2HG2 THR 50 10.648 -0.338 -9.634 326 HG23 THR 50 3HG2 THR 50 11.210 -1.918 -10.177 327 H TYR 51 H TYR 51 6.849 -0.843 -9.859 328 HA TYR 51 HA TYR 51 7.112 1.964 -10.474 329 HB2 TYR 51 1HB TYR 51 7.505 1.554 -12.910 330 HB3 TYR 51 2HB TYR 51 8.877 1.139 -11.888 331 HD1 TYR 51 HD2 TYR 51 5.867 -0.450 -13.430 332 HD2 TYR 51 HD1 TYR 51 9.921 -0.898 -12.217 333 HE1 TYR 51 HE2 TYR 51 5.904 -2.706 -14.407 334 HE2 TYR 51 HE1 TYR 51 9.969 -3.156 -13.192 335 HH TYR 51 HH TYR 51 8.531 -4.896 -13.878 336 H LYS 52 H LYS 52 5.419 2.746 -11.857 337 HA LYS 52 HA LYS 52 2.902 1.843 -11.309 338 HB2 LYS 52 1HB LYS 52 3.321 4.020 -12.314 339 HB3 LYS 52 2HB LYS 52 3.833 3.257 -13.814 340 HG2 LYS 52 1HG LYS 52 1.645 4.006 -14.199 341 HG3 LYS 52 2HG LYS 52 1.506 2.265 -13.942 342 HD2 LYS 52 1HD LYS 52 -0.251 3.304 -12.714 343 HD3 LYS 52 2HD LYS 52 0.954 2.762 -11.544 344 HE2 LYS 52 1HE LYS 52 1.583 4.887 -11.002 345 HE3 LYS 52 2HE LYS 52 1.206 5.523 -12.603 346 HZ1 LYS 52 1HZ LYS 52 -0.422 6.420 -11.237 347 HZ2 LYS 52 2HZ LYS 52 -0.631 4.994 -10.353 348 HZ3 LYS 52 3HZ LYS 52 -1.209 5.097 -11.940 349 HA PRO 53 HA PRO 53 2.854 -2.016 -13.577 350 HB2 PRO 53 1HB PRO 53 0.412 -2.796 -12.684 351 HB3 PRO 53 2HB PRO 53 1.881 -2.938 -11.711 352 HG2 PRO 53 1HG PRO 53 -0.252 -0.840 -11.625 353 HG3 PRO 53 2HG PRO 53 0.571 -1.654 -10.282 354 HD2 PRO 53 1HD PRO 53 1.246 0.835 -11.111 355 HD3 PRO 53 2HD PRO 53 2.432 -0.302 -10.438 356 H LYS 54 H LYS 54 2.114 -2.500 -15.564 357 HA LYS 54 HA LYS 54 0.343 -0.633 -16.876 358 HB2 LYS 54 1HB LYS 54 2.481 -1.905 -17.794 359 HB3 LYS 54 2HB LYS 54 1.289 -3.131 -18.208 360 HG2 LYS 54 1HG LYS 54 0.286 -1.824 -19.789 361 HG3 LYS 54 2HG LYS 54 0.754 -0.316 -18.999 362 HD2 LYS 54 1HD LYS 54 2.999 -0.518 -19.774 363 HD3 LYS 54 2HD LYS 54 2.719 -2.168 -20.338 364 HE2 LYS 54 1HE LYS 54 1.244 0.219 -21.428 365 HE3 LYS 54 2HE LYS 54 2.753 -0.375 -22.119 366 HZ1 LYS 54 1HZ LYS 54 0.766 -1.240 -23.250 367 HZ2 LYS 54 2HZ LYS 54 0.285 -1.999 -21.817 368 HZ3 LYS 54 3HZ LYS 54 1.716 -2.473 -22.586 369 H GLY 55 H GLY 55 -0.888 -2.141 -14.796 370 HA2 GLY 55 1HA GLY 55 -3.096 -3.250 -16.322 371 HA3 GLY 55 2HA GLY 55 -2.261 -4.392 -15.279 372 H LYS 56 H LYS 56 -4.985 -3.697 -15.029 373 HA LYS 56 HA LYS 56 -5.691 -1.732 -13.265 374 HB2 LYS 56 1HB LYS 56 -7.491 -3.288 -12.482 375 HB3 LYS 56 2HB LYS 56 -7.375 -3.135 -14.230 376 HG2 LYS 56 1HG LYS 56 -6.047 -5.251 -14.247 377 HG3 LYS 56 2HG LYS 56 -6.412 -5.421 -12.529 378 HD2 LYS 56 1HD LYS 56 -8.813 -5.410 -13.052 379 HD3 LYS 56 2HD LYS 56 -8.430 -5.273 -14.769 380 HE2 LYS 56 1HE LYS 56 -7.107 -7.419 -14.497 381 HE3 LYS 56 2HE LYS 56 -7.865 -7.573 -12.913 382 HZ1 LYS 56 1HZ LYS 56 -8.896 -8.361 -15.361 383 HZ2 LYS 56 2HZ LYS 56 -9.828 -7.038 -14.869 384 HZ3 LYS 56 3HZ LYS 56 -9.677 -8.387 -13.860 385 H TRP 57 H TRP 57 -5.176 -1.219 -11.245 386 HA TRP 57 HA TRP 57 -3.981 -3.305 -9.539 387 HB2 TRP 57 1HB TRP 57 -2.385 -1.531 -10.254 388 HB3 TRP 57 2HB TRP 57 -3.407 -0.336 -9.459 389 HD1 TRP 57 HD1 TRP 57 -0.935 -3.150 -8.693 390 HE1 TRP 57 HE1 TRP 57 -0.219 -2.970 -6.228 391 HE3 TRP 57 HE3 TRP 57 -4.188 0.487 -7.166 392 HZ2 TRP 57 HZ2 TRP 57 -0.938 -1.484 -3.938 393 HZ3 TRP 57 HZ3 TRP 57 -4.110 1.231 -4.822 394 HH2 TRP 57 HH2 TRP 57 -2.518 0.264 -3.243 395 H TYR 58 H TYR 58 -5.269 -3.870 -7.924 396 HA TYR 58 HA TYR 58 -7.134 -1.868 -6.837 397 HB2 TYR 58 1HB TYR 58 -7.299 -4.863 -7.070 398 HB3 TYR 58 2HB TYR 58 -8.305 -3.983 -5.925 399 HD1 TYR 58 HD2 TYR 58 -9.862 -2.190 -6.824 400 HD2 TYR 58 HD1 TYR 58 -7.898 -5.004 -9.339 401 HE1 TYR 58 HE2 TYR 58 -11.494 -1.728 -8.605 402 HE2 TYR 58 HE1 TYR 58 -9.524 -4.549 -11.128 403 HH TYR 58 HH TYR 58 -11.419 -3.504 -11.672 404 H CYS 59 H CYS 59 -6.605 -1.061 -4.929 405 HA CYS 59 HA CYS 59 -4.484 -1.655 -3.355 406 HB2 CYS 59 1HB CYS 59 -5.470 -0.387 -1.641 407 HB3 CYS 59 2HB CYS 59 -6.213 0.233 -3.112 408 HA PRO 60 HA PRO 60 -5.090 -5.514 -1.353 409 HB2 PRO 60 1HB PRO 60 -3.858 -5.069 1.024 410 HB3 PRO 60 2HB PRO 60 -2.974 -5.264 -0.494 411 HG2 PRO 60 1HG PRO 60 -3.718 -2.753 0.956 412 HG3 PRO 60 2HG PRO 60 -2.188 -3.178 0.168 413 HD2 PRO 60 1HD PRO 60 -4.029 -1.571 -0.997 414 HD3 PRO 60 2HD PRO 60 -2.979 -2.655 -1.932 415 H LYS 61 H LYS 61 -6.718 -2.781 -0.440 416 HA LYS 61 HA LYS 61 -7.989 -4.001 1.900 417 HB2 LYS 61 1HB LYS 61 -7.711 -1.239 0.859 418 HB3 LYS 61 2HB LYS 61 -9.218 -1.613 1.684 419 HG2 LYS 61 1HG LYS 61 -7.547 -2.614 3.482 420 HG3 LYS 61 2HG LYS 61 -6.460 -1.431 2.751 421 HD2 LYS 61 1HD LYS 61 -7.685 0.353 3.489 422 HD3 LYS 61 2HD LYS 61 -9.206 -0.543 3.465 423 HE2 LYS 61 1HE LYS 61 -8.877 -0.388 5.721 424 HE3 LYS 61 2HE LYS 61 -8.036 -1.903 5.397 425 HZ1 LYS 61 1HZ LYS 61 -6.792 -0.306 6.816 426 HZ2 LYS 61 2HZ LYS 61 -6.685 0.736 5.488 427 HZ3 LYS 61 3HZ LYS 61 -5.954 -0.789 5.427 428 H CYS 62 H CYS 62 -8.528 -3.300 -1.436 429 HA CYS 62 HA CYS 62 -11.404 -3.743 -1.218 430 HB2 CYS 62 1HB CYS 62 -9.612 -2.957 -3.516 431 HB3 CYS 62 2HB CYS 62 -11.318 -3.338 -3.728 432 H ARG 63 H ARG 63 -8.612 -5.134 -2.934 433 HA ARG 63 HA ARG 63 -9.926 -7.292 -4.109 434 HB2 ARG 63 1HB ARG 63 -7.781 -8.241 -4.481 435 HB3 ARG 63 2HB ARG 63 -7.567 -6.497 -4.556 436 HG2 ARG 63 1HG ARG 63 -6.463 -6.420 -2.511 437 HG3 ARG 63 2HG ARG 63 -7.076 -7.999 -2.015 438 HD2 ARG 63 1HD ARG 63 -5.349 -7.813 -4.437 439 HD3 ARG 63 2HD ARG 63 -4.598 -7.701 -2.845 440 HE ARG 63 HE ARG 63 -6.094 -9.909 -2.595 441 HH11 ARG 63 1HH1 ARG 63 -3.879 -8.878 -5.076 442 HH12 ARG 63 2HH1 ARG 63 -3.410 -10.489 -5.509 443 HH21 ARG 63 1HH2 ARG 63 -5.485 -12.034 -3.156 444 HH22 ARG 63 2HH2 ARG 63 -4.325 -12.283 -4.417 445 H GLY 64 H GLY 64 -8.968 -6.767 -0.827 446 HA2 GLY 64 1HA GLY 64 -9.644 -9.571 -0.186 447 HA3 GLY 64 2HA GLY 64 -8.563 -8.572 0.775 448 H ASP 65 H ASP 65 -11.917 -9.044 -0.191 449 HA ASP 65 HA ASP 65 -12.736 -7.579 2.232 450 HB2 ASP 65 1HB ASP 65 -13.463 -6.372 0.258 451 HB3 ASP 65 2HB ASP 65 -14.185 -7.834 -0.410 452 H SER 66 H SER 66 -13.614 -10.223 0.028 453 HA SER 66 HA SER 66 -15.696 -11.372 1.375 454 HB2 SER 66 1HB SER 66 -13.424 -12.748 -0.073 455 HB3 SER 66 2HB SER 66 -14.908 -13.558 0.429 456 HG SER 66 HG SER 66 -15.827 -11.567 -0.826 457 H GLY 67 H GLY 67 -15.993 -12.344 3.277 458 HA2 GLY 67 1HA GLY 67 -15.160 -14.013 4.885 459 HA3 GLY 67 2HA GLY 67 -13.594 -13.225 4.762 460 HA PRO 68 HA PRO 68 -16.587 -10.359 7.313 461 HB2 PRO 68 1HB PRO 68 -18.693 -11.652 8.437 462 HB3 PRO 68 2HB PRO 68 -18.780 -10.868 6.855 463 HG2 PRO 68 1HG PRO 68 -18.384 -13.761 7.515 464 HG3 PRO 68 2HG PRO 68 -19.414 -13.028 6.272 465 HD2 PRO 68 1HD PRO 68 -16.996 -14.109 5.709 466 HD3 PRO 68 2HD PRO 68 -17.655 -12.724 4.815 467 H SER 69 H SER 69 -16.402 -9.993 9.528 468 HA SER 69 HA SER 69 -14.518 -11.398 10.953 469 HB2 SER 69 1HB SER 69 -15.147 -9.171 11.629 470 HB3 SER 69 2HB SER 69 -16.794 -9.692 11.983 471 HG SER 69 HG SER 69 -16.063 -10.025 13.919 472 H SER 70 H SER 70 -18.033 -11.522 11.560 473 HA SER 70 HA SER 70 -17.678 -14.001 13.051 474 HB2 SER 70 1HB SER 70 -19.992 -12.108 12.675 475 HB3 SER 70 2HB SER 70 -20.212 -13.698 13.406 476 HG SER 70 HG SER 70 -19.269 -11.454 14.522 477 H GLY 71 H GLY 71 -19.001 -15.879 12.614 478 HA2 GLY 71 1HA GLY 71 -19.419 -16.225 9.722 479 HA3 GLY 71 2HA GLY 71 -19.118 -17.520 10.871 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -6.285 18.151 40.007 2 HA2 GLY 1 1HA GLY 1 -4.172 18.661 38.895 3 HA3 GLY 1 2HA GLY 1 -4.007 16.942 38.568 4 H SER 2 H SER 2 -3.624 18.090 36.386 5 HA SER 2 HA SER 2 -5.969 17.631 34.789 6 HB2 SER 2 1HB SER 2 -5.973 20.114 35.684 7 HB3 SER 2 2HB SER 2 -4.790 20.354 34.398 8 HG SER 2 HG SER 2 -7.490 19.992 34.239 9 H SER 3 H SER 3 -5.458 17.063 32.728 10 HA SER 3 HA SER 3 -2.604 16.908 32.106 11 HB2 SER 3 1HB SER 3 -4.944 15.561 30.736 12 HB3 SER 3 2HB SER 3 -3.236 15.238 30.440 13 HG SER 3 HG SER 3 -3.081 14.518 32.607 14 H GLY 4 H GLY 4 -5.665 17.982 30.666 15 HA2 GLY 4 1HA GLY 4 -6.099 19.557 29.053 16 HA3 GLY 4 2HA GLY 4 -4.496 20.201 29.376 17 H SER 5 H SER 5 -4.083 20.626 27.203 18 HA SER 5 HA SER 5 -4.345 18.654 25.168 19 HB2 SER 5 1HB SER 5 -2.923 21.309 25.309 20 HB3 SER 5 2HB SER 5 -2.838 20.283 23.877 21 HG SER 5 HG SER 5 -4.802 20.841 23.379 22 H SER 6 H SER 6 -3.182 16.849 25.159 23 HA SER 6 HA SER 6 -0.894 16.265 26.536 24 HB2 SER 6 1HB SER 6 -2.445 14.788 24.994 25 HB3 SER 6 2HB SER 6 -1.196 15.110 23.792 26 HG SER 6 HG SER 6 -0.002 14.439 26.067 27 H GLY 7 H GLY 7 1.330 16.153 26.017 28 HA2 GLY 7 1HA GLY 7 2.409 18.440 24.830 29 HA3 GLY 7 2HA GLY 7 3.308 16.975 25.195 30 H GLU 8 H GLU 8 3.796 18.634 22.963 31 HA GLU 8 HA GLU 8 2.611 17.942 20.577 32 HB2 GLU 8 1HB GLU 8 5.512 18.552 21.157 33 HB3 GLU 8 2HB GLU 8 4.846 18.434 19.534 34 HG2 GLU 8 1HG GLU 8 3.762 20.336 21.585 35 HG3 GLU 8 2HG GLU 8 5.090 20.755 20.504 36 H PHE 9 H PHE 9 2.220 15.999 19.766 37 HA PHE 9 HA PHE 9 3.962 13.759 20.419 38 HB2 PHE 9 1HB PHE 9 2.228 12.346 19.561 39 HB3 PHE 9 2HB PHE 9 1.454 13.586 20.543 40 HD1 PHE 9 HD1 PHE 9 0.359 15.532 19.395 41 HD2 PHE 9 HD2 PHE 9 1.684 12.073 17.299 42 HE1 PHE 9 HE1 PHE 9 -1.092 16.129 17.500 43 HE2 PHE 9 HE2 PHE 9 0.235 12.665 15.400 44 HZ PHE 9 HZ PHE 9 -1.155 14.696 15.499 45 H ALA 10 H ALA 10 2.756 15.472 17.560 46 HA ALA 10 HA ALA 10 5.169 14.911 16.116 47 HB1 ALA 10 1HB ALA 10 4.342 13.532 14.403 48 HB2 ALA 10 2HB ALA 10 3.767 12.800 15.902 49 HB3 ALA 10 3HB ALA 10 2.669 13.762 14.911 50 H ILE 11 H ILE 11 5.508 16.923 15.413 51 HA ILE 11 HA ILE 11 3.467 18.786 14.816 52 HB ILE 11 HB ILE 11 6.373 18.827 13.995 53 HG12 ILE 11 1HG1 ILE 11 6.279 20.609 15.951 54 HG13 ILE 11 2HG1 ILE 11 4.897 19.645 16.462 55 HG21 ILE 11 1HG2 ILE 11 5.292 20.364 12.596 56 HG22 ILE 11 2HG2 ILE 11 4.207 20.900 13.878 57 HG23 ILE 11 3HG2 ILE 11 5.915 21.338 13.927 58 HD11 ILE 11 1HD1 ILE 11 7.079 17.915 15.834 59 HD12 ILE 11 2HD1 ILE 11 7.614 19.169 16.953 60 HD13 ILE 11 3HD1 ILE 11 6.239 18.146 17.368 61 H ASP 12 H ASP 12 2.275 19.033 13.049 62 HA ASP 12 HA ASP 12 3.324 18.200 10.454 63 HB2 ASP 12 1HB ASP 12 0.565 17.351 11.334 64 HB3 ASP 12 2HB ASP 12 1.439 16.858 9.887 65 HA PRO 13 HA PRO 13 1.408 21.887 9.040 66 HB2 PRO 13 1HB PRO 13 0.916 21.239 6.450 67 HB3 PRO 13 2HB PRO 13 2.540 21.566 7.067 68 HG2 PRO 13 1HG PRO 13 1.196 18.938 6.571 69 HG3 PRO 13 2HG PRO 13 2.858 19.432 6.200 70 HD2 PRO 13 1HD PRO 13 2.234 17.930 8.365 71 HD3 PRO 13 2HD PRO 13 3.576 19.093 8.363 72 H ASN 14 H ASN 14 -0.299 19.267 9.806 73 HA ASN 14 HA ASN 14 -2.524 18.919 10.172 74 HB2 ASN 14 1HB ASN 14 -3.086 21.543 8.792 75 HB3 ASN 14 2HB ASN 14 -4.085 20.707 9.977 76 HD21 ASN 14 1HD2 ASN 14 -3.433 20.697 12.159 77 HD22 ASN 14 2HD2 ASN 14 -2.352 21.897 12.773 78 H GLU 15 H GLU 15 -1.254 17.852 7.920 79 HA GLU 15 HA GLU 15 -3.252 18.066 5.783 80 HB2 GLU 15 1HB GLU 15 -0.780 18.322 5.287 81 HB3 GLU 15 2HB GLU 15 -0.610 16.614 5.669 82 HG2 GLU 15 1HG GLU 15 -2.196 16.070 3.877 83 HG3 GLU 15 2HG GLU 15 -2.309 17.783 3.477 84 HA PRO 16 HA PRO 16 -5.051 14.209 6.932 85 HB2 PRO 16 1HB PRO 16 -6.284 13.633 4.583 86 HB3 PRO 16 2HB PRO 16 -6.872 14.872 5.698 87 HG2 PRO 16 1HG PRO 16 -5.237 15.184 3.210 88 HG3 PRO 16 2HG PRO 16 -6.615 16.149 3.771 89 HD2 PRO 16 1HD PRO 16 -4.050 16.964 4.067 90 HD3 PRO 16 2HD PRO 16 -5.323 17.374 5.234 91 H THR 17 H THR 17 -5.151 11.926 6.185 92 HA THR 17 HA THR 17 -2.757 11.206 4.621 93 HB THR 17 HB THR 17 -2.445 9.253 6.006 94 HG1 THR 17 HG1 THR 17 -4.957 9.998 6.983 95 HG21 THR 17 1HG2 THR 17 -2.918 11.468 7.975 96 HG22 THR 17 2HG2 THR 17 -1.651 11.594 6.754 97 HG23 THR 17 3HG2 THR 17 -1.614 10.281 7.931 98 H TYR 18 H TYR 18 -2.878 9.344 3.314 99 HA TYR 18 HA TYR 18 -5.626 8.445 2.738 100 HB2 TYR 18 1HB TYR 18 -3.322 8.794 0.808 101 HB3 TYR 18 2HB TYR 18 -4.902 8.140 0.391 102 HD1 TYR 18 HD2 TYR 18 -3.431 11.179 2.001 103 HD2 TYR 18 HD1 TYR 18 -6.438 9.580 -0.550 104 HE1 TYR 18 HE2 TYR 18 -4.245 13.454 1.543 105 HE2 TYR 18 HE1 TYR 18 -7.259 11.851 -1.016 106 HH TYR 18 HH TYR 18 -7.211 14.088 0.087 107 H CYS 19 H CYS 19 -2.234 7.454 2.233 108 HA CYS 19 HA CYS 19 -2.669 4.753 1.825 109 HB2 CYS 19 1HB CYS 19 -0.486 6.101 1.645 110 HB3 CYS 19 2HB CYS 19 -0.295 5.783 3.366 111 H LEU 20 H LEU 20 -2.157 2.933 3.288 112 HA LEU 20 HA LEU 20 -3.798 2.984 5.579 113 HB2 LEU 20 1HB LEU 20 -1.640 0.968 5.018 114 HB3 LEU 20 2HB LEU 20 -3.119 0.738 5.948 115 HG LEU 20 HG LEU 20 -3.322 1.409 3.048 116 HD11 LEU 20 1HD1 LEU 20 -3.227 -0.991 2.507 117 HD12 LEU 20 2HD1 LEU 20 -2.685 -1.323 4.152 118 HD13 LEU 20 3HD1 LEU 20 -1.678 -0.362 3.069 119 HD21 LEU 20 1HD2 LEU 20 -5.404 0.400 3.195 120 HD22 LEU 20 2HD2 LEU 20 -5.242 1.187 4.766 121 HD23 LEU 20 3HD2 LEU 20 -4.958 -0.548 4.614 122 H CYS 21 H CYS 21 -0.308 3.238 5.146 123 HA CYS 21 HA CYS 21 0.437 3.048 7.847 124 HB2 CYS 21 1HB CYS 21 2.531 4.130 7.155 125 HB3 CYS 21 2HB CYS 21 2.056 2.873 6.017 126 H ASN 22 H ASN 22 -1.415 5.371 6.332 127 HA ASN 22 HA ASN 22 -2.254 7.381 6.987 128 HB2 ASN 22 1HB ASN 22 -1.194 6.250 9.530 129 HB3 ASN 22 2HB ASN 22 -1.609 7.961 9.514 130 HD21 ASN 22 1HD2 ASN 22 -3.401 7.936 10.738 131 HD22 ASN 22 2HD2 ASN 22 -4.845 7.074 10.342 132 H GLN 23 H GLN 23 -0.131 7.664 5.449 133 HA GLN 23 HA GLN 23 1.416 9.819 6.727 134 HB2 GLN 23 1HB GLN 23 2.342 7.622 4.902 135 HB3 GLN 23 2HB GLN 23 3.213 9.147 4.977 136 HG2 GLN 23 1HG GLN 23 2.613 7.541 7.436 137 HG3 GLN 23 2HG GLN 23 4.039 7.243 6.444 138 HE21 GLN 23 1HE2 GLN 23 4.826 7.800 8.755 139 HE22 GLN 23 2HE2 GLN 23 5.277 9.450 8.995 140 H VAL 24 H VAL 24 2.153 11.505 5.278 141 HA VAL 24 HA VAL 24 0.118 12.393 3.529 142 HB VAL 24 HB VAL 24 1.674 14.217 2.937 143 HG11 VAL 24 1HG1 VAL 24 1.359 15.305 4.905 144 HG12 VAL 24 2HG1 VAL 24 0.360 13.888 5.234 145 HG13 VAL 24 3HG1 VAL 24 2.003 13.977 5.870 146 HG21 VAL 24 1HG2 VAL 24 3.818 13.431 2.858 147 HG22 VAL 24 2HG2 VAL 24 3.829 14.150 4.468 148 HG23 VAL 24 3HG2 VAL 24 3.615 12.409 4.281 149 H SER 25 H SER 25 0.144 12.689 1.277 150 HA SER 25 HA SER 25 1.080 10.542 -0.237 151 HB2 SER 25 1HB SER 25 0.265 11.697 -2.150 152 HB3 SER 25 2HB SER 25 -0.792 12.169 -0.819 153 HG SER 25 HG SER 25 0.352 14.108 -0.659 154 H TYR 26 H TYR 26 3.053 10.039 -0.894 155 HA TYR 26 HA TYR 26 4.880 12.122 -1.779 156 HB2 TYR 26 1HB TYR 26 6.715 11.377 -0.370 157 HB3 TYR 26 2HB TYR 26 5.353 11.856 0.637 158 HD1 TYR 26 HD1 TYR 26 6.781 8.800 -0.973 159 HD2 TYR 26 HD2 TYR 26 4.724 10.454 2.363 160 HE1 TYR 26 HE1 TYR 26 6.851 6.611 0.147 161 HE2 TYR 26 HE2 TYR 26 4.789 8.271 3.493 162 HH TYR 26 HH TYR 26 6.774 5.829 2.665 163 H GLY 27 H GLY 27 7.013 11.009 -2.546 164 HA2 GLY 27 1HA GLY 27 7.834 9.733 -4.290 165 HA3 GLY 27 2HA GLY 27 7.342 8.412 -3.241 166 H GLU 28 H GLU 28 6.937 7.139 -5.115 167 HA GLU 28 HA GLU 28 4.936 7.970 -7.009 168 HB2 GLU 28 1HB GLU 28 6.422 5.385 -6.570 169 HB3 GLU 28 2HB GLU 28 5.169 5.553 -7.791 170 HG2 GLU 28 1HG GLU 28 7.009 5.988 -9.051 171 HG3 GLU 28 2HG GLU 28 6.613 7.622 -8.521 172 H MET 29 H MET 29 2.824 7.366 -7.128 173 HA MET 29 HA MET 29 1.785 5.468 -5.160 174 HB2 MET 29 1HB MET 29 1.080 8.365 -5.364 175 HB3 MET 29 2HB MET 29 -0.178 7.217 -4.926 176 HG2 MET 29 1HG MET 29 1.182 6.454 -3.041 177 HG3 MET 29 2HG MET 29 2.427 7.622 -3.477 178 HE1 MET 29 1HE MET 29 -1.417 7.332 -2.252 179 HE2 MET 29 2HE MET 29 -0.126 6.815 -1.167 180 HE3 MET 29 3HE MET 29 -1.072 8.255 -0.789 181 H ILE 30 H ILE 30 -0.285 4.598 -5.696 182 HA ILE 30 HA ILE 30 -1.028 4.987 -8.522 183 HB ILE 30 HB ILE 30 -1.583 2.682 -8.726 184 HG12 ILE 30 1HG1 ILE 30 -2.528 2.418 -6.440 185 HG13 ILE 30 2HG1 ILE 30 -1.469 1.090 -6.901 186 HG21 ILE 30 1HG2 ILE 30 0.828 1.962 -7.388 187 HG22 ILE 30 2HG2 ILE 30 0.548 2.203 -9.112 188 HG23 ILE 30 3HG2 ILE 30 1.026 3.564 -8.097 189 HD11 ILE 30 1HD1 ILE 30 -1.220 3.031 -4.739 190 HD12 ILE 30 2HD1 ILE 30 -0.543 1.410 -4.901 191 HD13 ILE 30 3HD1 ILE 30 0.264 2.783 -5.659 192 H GLY 31 H GLY 31 -3.265 4.687 -9.059 193 HA2 GLY 31 1HA GLY 31 -5.025 5.413 -6.816 194 HA3 GLY 31 2HA GLY 31 -5.343 5.744 -8.512 195 H CYS 32 H CYS 32 -6.173 3.825 -5.951 196 HA CYS 32 HA CYS 32 -6.504 1.272 -6.948 197 HB2 CYS 32 1HB CYS 32 -6.961 1.744 -4.633 198 HB3 CYS 32 2HB CYS 32 -8.264 2.847 -5.063 199 H ASP 33 H ASP 33 -7.319 0.787 -8.883 200 HA ASP 33 HA ASP 33 -8.870 2.120 -10.594 201 HB2 ASP 33 1HB ASP 33 -7.985 -0.237 -10.862 202 HB3 ASP 33 2HB ASP 33 -9.423 -0.791 -10.009 203 H ASN 34 H ASN 34 -10.052 0.485 -7.710 204 HA ASN 34 HA ASN 34 -12.810 0.771 -8.237 205 HB2 ASN 34 1HB ASN 34 -11.742 -0.736 -6.503 206 HB3 ASN 34 2HB ASN 34 -11.531 0.697 -5.501 207 HD21 ASN 34 1HD2 ASN 34 -12.955 0.581 -3.922 208 HD22 ASN 34 2HD2 ASN 34 -14.637 0.229 -4.098 209 H GLU 35 H GLU 35 -13.400 2.805 -8.868 210 HA GLU 35 HA GLU 35 -12.537 5.236 -7.931 211 HB2 GLU 35 1HB GLU 35 -15.233 4.373 -8.958 212 HB3 GLU 35 2HB GLU 35 -14.893 6.046 -8.538 213 HG2 GLU 35 1HG GLU 35 -13.619 4.384 -10.687 214 HG3 GLU 35 2HG GLU 35 -14.581 5.850 -10.867 215 H GLN 36 H GLN 36 -15.355 3.413 -6.730 216 HA GLN 36 HA GLN 36 -16.329 5.001 -4.792 217 HB2 GLN 36 1HB GLN 36 -15.808 2.034 -4.661 218 HB3 GLN 36 2HB GLN 36 -16.722 2.893 -3.429 219 HG2 GLN 36 1HG GLN 36 -18.427 2.174 -4.742 220 HG3 GLN 36 2HG GLN 36 -18.098 3.727 -5.510 221 HE21 GLN 36 1HE2 GLN 36 -16.668 0.479 -5.668 222 HE22 GLN 36 2HE2 GLN 36 -16.716 0.357 -7.391 223 H CYS 37 H CYS 37 -13.431 2.981 -4.461 224 HA CYS 37 HA CYS 37 -12.739 3.220 -1.878 225 HB2 CYS 37 1HB CYS 37 -11.392 2.376 -4.000 226 HB3 CYS 37 2HB CYS 37 -10.603 3.941 -3.836 227 HA PRO 38 HA PRO 38 -12.864 7.637 -1.186 228 HB2 PRO 38 1HB PRO 38 -12.403 7.484 1.485 229 HB3 PRO 38 2HB PRO 38 -13.982 7.155 0.762 230 HG2 PRO 38 1HG PRO 38 -11.868 5.232 1.653 231 HG3 PRO 38 2HG PRO 38 -13.624 5.150 1.886 232 HD2 PRO 38 1HD PRO 38 -12.342 3.738 -0.036 233 HD3 PRO 38 2HD PRO 38 -13.996 4.350 -0.244 234 H ILE 39 H ILE 39 -10.276 5.491 -1.015 235 HA ILE 39 HA ILE 39 -8.389 7.591 -0.198 236 HB ILE 39 HB ILE 39 -7.988 4.607 -0.432 237 HG12 ILE 39 1HG1 ILE 39 -7.934 6.378 2.017 238 HG13 ILE 39 2HG1 ILE 39 -9.341 5.449 1.512 239 HG21 ILE 39 1HG2 ILE 39 -5.875 5.778 0.990 240 HG22 ILE 39 2HG2 ILE 39 -5.814 5.020 -0.601 241 HG23 ILE 39 3HG2 ILE 39 -6.089 6.756 -0.462 242 HD11 ILE 39 1HD1 ILE 39 -6.660 4.286 2.227 243 HD12 ILE 39 2HD1 ILE 39 -8.072 4.340 3.284 244 HD13 ILE 39 3HD1 ILE 39 -8.115 3.386 1.802 245 H GLU 40 H GLU 40 -8.648 4.966 -2.603 246 HA GLU 40 HA GLU 40 -7.586 4.706 -4.626 247 HB2 GLU 40 1HB GLU 40 -8.977 7.354 -4.688 248 HB3 GLU 40 2HB GLU 40 -8.023 6.854 -6.077 249 HG2 GLU 40 1HG GLU 40 -9.412 4.660 -5.893 250 HG3 GLU 40 2HG GLU 40 -10.527 5.673 -4.977 251 H TRP 41 H TRP 41 -5.780 5.539 -2.588 252 HA TRP 41 HA TRP 41 -3.635 6.482 -4.238 253 HB2 TRP 41 1HB TRP 41 -4.718 8.255 -2.046 254 HB3 TRP 41 2HB TRP 41 -3.096 8.428 -2.709 255 HD1 TRP 41 HD1 TRP 41 -6.439 9.791 -3.134 256 HE1 TRP 41 HE1 TRP 41 -6.694 10.967 -5.409 257 HE3 TRP 41 HE3 TRP 41 -2.269 7.968 -5.463 258 HZ2 TRP 41 HZ2 TRP 41 -5.311 11.103 -7.866 259 HZ3 TRP 41 HZ3 TRP 41 -1.808 8.670 -7.776 260 HH2 TRP 41 HH2 TRP 41 -3.299 10.205 -8.951 261 H PHE 42 H PHE 42 -2.078 5.122 -3.678 262 HA PHE 42 HA PHE 42 -1.394 4.821 -0.858 263 HB2 PHE 42 1HB PHE 42 -1.900 2.466 -2.689 264 HB3 PHE 42 2HB PHE 42 -1.226 2.364 -1.066 265 HD1 PHE 42 HD2 PHE 42 -2.623 2.810 0.890 266 HD2 PHE 42 HD1 PHE 42 -4.236 2.822 -3.048 267 HE1 PHE 42 HE2 PHE 42 -4.893 2.654 1.824 268 HE2 PHE 42 HE1 PHE 42 -6.510 2.667 -2.121 269 HZ PHE 42 HZ PHE 42 -6.841 2.581 0.318 270 H HIS 43 H HIS 43 0.761 4.176 -0.486 271 HA HIS 43 HA HIS 43 2.587 5.002 -2.532 272 HB2 HIS 43 1HB HIS 43 3.225 3.703 0.123 273 HB3 HIS 43 2HB HIS 43 4.319 4.650 -0.881 274 HD2 HIS 43 HD2 HIS 43 2.638 7.347 -1.318 275 HE1 HIS 43 HE1 HIS 43 2.166 7.373 2.898 276 HE2 HIS 43 HE2 HIS 43 1.961 8.710 0.773 277 H PHE 44 H PHE 44 4.500 3.673 -3.134 278 HA PHE 44 HA PHE 44 3.614 1.130 -4.136 279 HB2 PHE 44 1HB PHE 44 6.133 2.744 -4.408 280 HB3 PHE 44 2HB PHE 44 6.076 1.076 -4.968 281 HD1 PHE 44 HD2 PHE 44 3.547 3.805 -5.129 282 HD2 PHE 44 HD1 PHE 44 6.062 1.120 -7.269 283 HE1 PHE 44 HE2 PHE 44 2.539 4.553 -7.244 284 HE2 PHE 44 HE1 PHE 44 5.059 1.865 -9.389 285 HZ PHE 44 HZ PHE 44 3.294 3.583 -9.378 286 H SER 45 H SER 45 6.529 2.023 -2.280 287 HA SER 45 HA SER 45 7.417 -0.427 -1.536 288 HB2 SER 45 1HB SER 45 8.442 1.798 -0.932 289 HB3 SER 45 2HB SER 45 7.285 1.897 0.396 290 HG SER 45 HG SER 45 9.547 0.333 0.125 291 H CYS 46 H CYS 46 4.632 1.260 -0.252 292 HA CYS 46 HA CYS 46 4.212 -0.504 1.955 293 HB2 CYS 46 1HB CYS 46 2.572 1.622 0.610 294 HB3 CYS 46 2HB CYS 46 1.844 0.571 1.820 295 H VAL 47 H VAL 47 2.631 -0.132 -1.214 296 HA VAL 47 HA VAL 47 1.091 -2.548 -0.840 297 HB VAL 47 HB VAL 47 0.256 -2.130 -3.117 298 HG11 VAL 47 1HG1 VAL 47 -1.009 -1.085 -1.443 299 HG12 VAL 47 2HG1 VAL 47 0.232 0.132 -1.142 300 HG13 VAL 47 3HG1 VAL 47 -0.712 0.183 -2.632 301 HG21 VAL 47 1HG2 VAL 47 0.980 0.235 -4.008 302 HG22 VAL 47 2HG2 VAL 47 2.450 -0.113 -3.098 303 HG23 VAL 47 3HG2 VAL 47 1.930 -1.203 -4.384 304 H SER 48 H SER 48 4.136 -2.496 -1.034 305 HA SER 48 HA SER 48 5.820 -3.733 -1.944 306 HB2 SER 48 1HB SER 48 4.435 -5.547 -1.001 307 HB3 SER 48 2HB SER 48 3.553 -5.657 -2.524 308 HG SER 48 HG SER 48 6.320 -5.832 -2.675 309 H LEU 49 H LEU 49 5.300 -1.807 -3.636 310 HA LEU 49 HA LEU 49 5.162 -3.100 -6.281 311 HB2 LEU 49 1HB LEU 49 3.958 -0.603 -5.245 312 HB3 LEU 49 2HB LEU 49 4.594 -0.557 -6.888 313 HG LEU 49 HG LEU 49 2.462 -2.431 -5.861 314 HD11 LEU 49 1HD1 LEU 49 2.415 0.204 -7.172 315 HD12 LEU 49 2HD1 LEU 49 1.217 -0.578 -6.142 316 HD13 LEU 49 3HD1 LEU 49 1.327 -1.009 -7.848 317 HD21 LEU 49 1HD2 LEU 49 2.573 -2.337 -8.681 318 HD22 LEU 49 2HD2 LEU 49 2.899 -3.708 -7.620 319 HD23 LEU 49 3HD2 LEU 49 4.213 -2.633 -8.103 320 H THR 50 H THR 50 6.753 -2.666 -7.730 321 HA THR 50 HA THR 50 9.007 -1.060 -6.745 322 HB THR 50 HB THR 50 8.971 -3.169 -8.914 323 HG1 THR 50 HG1 THR 50 10.354 -3.426 -6.479 324 HG21 THR 50 1HG2 THR 50 10.796 -1.954 -9.543 325 HG22 THR 50 2HG2 THR 50 11.552 -2.927 -8.281 326 HG23 THR 50 3HG2 THR 50 11.036 -1.277 -7.933 327 H TYR 51 H TYR 51 6.848 -1.509 -9.481 328 HA TYR 51 HA TYR 51 7.594 1.141 -10.453 329 HB2 TYR 51 1HB TYR 51 7.553 0.178 -12.831 330 HB3 TYR 51 2HB TYR 51 8.987 -0.132 -11.860 331 HD1 TYR 51 HD2 TYR 51 5.654 -1.723 -12.471 332 HD2 TYR 51 HD1 TYR 51 9.846 -2.262 -11.977 333 HE1 TYR 51 HE2 TYR 51 5.383 -4.138 -12.852 334 HE2 TYR 51 HE1 TYR 51 9.586 -4.678 -12.358 335 HH TYR 51 HH TYR 51 7.620 -6.124 -13.727 336 H LYS 52 H LYS 52 6.011 2.101 -11.844 337 HA LYS 52 HA LYS 52 3.358 1.614 -11.051 338 HB2 LYS 52 1HB LYS 52 4.513 3.741 -12.082 339 HB3 LYS 52 2HB LYS 52 3.971 3.048 -13.605 340 HG2 LYS 52 1HG LYS 52 2.066 3.440 -11.331 341 HG3 LYS 52 2HG LYS 52 2.470 4.765 -12.426 342 HD2 LYS 52 1HD LYS 52 1.433 3.778 -14.220 343 HD3 LYS 52 2HD LYS 52 1.665 2.144 -13.593 344 HE2 LYS 52 1HE LYS 52 -0.155 2.301 -12.163 345 HE3 LYS 52 2HE LYS 52 -0.136 4.064 -12.171 346 HZ1 LYS 52 1HZ LYS 52 -1.542 4.093 -13.867 347 HZ2 LYS 52 2HZ LYS 52 -1.726 2.420 -13.702 348 HZ3 LYS 52 3HZ LYS 52 -0.582 3.042 -14.782 349 HA PRO 53 HA PRO 53 2.605 -1.858 -13.774 350 HB2 PRO 53 1HB PRO 53 0.095 -2.346 -12.863 351 HB3 PRO 53 2HB PRO 53 1.547 -2.846 -11.989 352 HG2 PRO 53 1HG PRO 53 -0.206 -0.461 -11.541 353 HG3 PRO 53 2HG PRO 53 0.509 -1.564 -10.350 354 HD2 PRO 53 1HD PRO 53 1.561 0.870 -10.899 355 HD3 PRO 53 2HD PRO 53 2.562 -0.519 -10.430 356 H LYS 54 H LYS 54 1.945 -1.754 -15.820 357 HA LYS 54 HA LYS 54 0.284 0.436 -16.708 358 HB2 LYS 54 1HB LYS 54 1.742 -1.788 -18.121 359 HB3 LYS 54 2HB LYS 54 0.648 -0.710 -18.979 360 HG2 LYS 54 1HG LYS 54 2.135 1.137 -17.801 361 HG3 LYS 54 2HG LYS 54 3.319 -0.173 -17.809 362 HD2 LYS 54 1HD LYS 54 2.505 -0.388 -20.324 363 HD3 LYS 54 2HD LYS 54 2.104 1.314 -20.079 364 HE2 LYS 54 1HE LYS 54 4.805 0.059 -19.598 365 HE3 LYS 54 2HE LYS 54 4.358 1.017 -21.009 366 HZ1 LYS 54 1HZ LYS 54 4.664 1.912 -18.208 367 HZ2 LYS 54 2HZ LYS 54 3.806 2.829 -19.341 368 HZ3 LYS 54 3HZ LYS 54 5.445 2.495 -19.591 369 H GLY 55 H GLY 55 -1.053 -1.380 -14.981 370 HA2 GLY 55 1HA GLY 55 -3.304 -2.031 -16.693 371 HA3 GLY 55 2HA GLY 55 -2.541 -3.410 -15.915 372 H LYS 56 H LYS 56 -5.204 -2.742 -15.478 373 HA LYS 56 HA LYS 56 -5.980 -1.130 -13.467 374 HB2 LYS 56 1HB LYS 56 -7.569 -2.954 -12.756 375 HB3 LYS 56 2HB LYS 56 -7.588 -2.572 -14.472 376 HG2 LYS 56 1HG LYS 56 -7.561 -4.835 -14.602 377 HG3 LYS 56 2HG LYS 56 -5.821 -4.540 -14.557 378 HD2 LYS 56 1HD LYS 56 -5.624 -5.250 -12.369 379 HD3 LYS 56 2HD LYS 56 -7.317 -4.917 -11.999 380 HE2 LYS 56 1HE LYS 56 -8.052 -6.859 -13.076 381 HE3 LYS 56 2HE LYS 56 -6.537 -7.051 -13.957 382 HZ1 LYS 56 1HZ LYS 56 -5.497 -7.399 -11.689 383 HZ2 LYS 56 2HZ LYS 56 -6.476 -8.648 -12.273 384 HZ3 LYS 56 3HZ LYS 56 -7.071 -7.586 -11.098 385 H TRP 57 H TRP 57 -5.937 -1.058 -11.242 386 HA TRP 57 HA TRP 57 -4.483 -3.121 -9.785 387 HB2 TRP 57 1HB TRP 57 -2.740 -1.529 -10.468 388 HB3 TRP 57 2HB TRP 57 -3.653 -0.211 -9.738 389 HD1 TRP 57 HD1 TRP 57 -1.359 -3.112 -8.855 390 HE1 TRP 57 HE1 TRP 57 -0.684 -2.920 -6.378 391 HE3 TRP 57 HE3 TRP 57 -4.507 0.661 -7.445 392 HZ2 TRP 57 HZ2 TRP 57 -1.393 -1.375 -4.125 393 HZ3 TRP 57 HZ3 TRP 57 -4.446 1.438 -5.111 394 HH2 TRP 57 HH2 TRP 57 -2.921 0.439 -3.487 395 H TYR 58 H TYR 58 -5.602 -3.593 -8.021 396 HA TYR 58 HA TYR 58 -7.328 -1.511 -6.852 397 HB2 TYR 58 1HB TYR 58 -7.660 -4.502 -7.022 398 HB3 TYR 58 2HB TYR 58 -8.594 -3.521 -5.898 399 HD1 TYR 58 HD1 TYR 58 -7.744 -3.738 -9.527 400 HD2 TYR 58 HD2 TYR 58 -10.622 -2.639 -6.592 401 HE1 TYR 58 HE1 TYR 58 -9.370 -3.258 -11.310 402 HE2 TYR 58 HE2 TYR 58 -12.256 -2.157 -8.366 403 HH TYR 58 HH TYR 58 -12.487 -3.102 -10.962 404 H CYS 59 H CYS 59 -6.974 -0.901 -4.815 405 HA CYS 59 HA CYS 59 -4.697 -1.507 -3.396 406 HB2 CYS 59 1HB CYS 59 -5.614 -0.304 -1.592 407 HB3 CYS 59 2HB CYS 59 -6.388 0.385 -3.016 408 HA PRO 60 HA PRO 60 -5.248 -5.432 -1.509 409 HB2 PRO 60 1HB PRO 60 -3.906 -5.080 0.824 410 HB3 PRO 60 2HB PRO 60 -3.093 -5.227 -0.738 411 HG2 PRO 60 1HG PRO 60 -3.749 -2.763 0.830 412 HG3 PRO 60 2HG PRO 60 -2.259 -3.172 -0.040 413 HD2 PRO 60 1HD PRO 60 -4.137 -1.512 -1.065 414 HD3 PRO 60 2HD PRO 60 -3.139 -2.569 -2.084 415 H LYS 61 H LYS 61 -6.818 -2.727 -0.439 416 HA LYS 61 HA LYS 61 -7.984 -4.007 1.922 417 HB2 LYS 61 1HB LYS 61 -7.756 -1.219 0.936 418 HB3 LYS 61 2HB LYS 61 -9.221 -1.617 1.825 419 HG2 LYS 61 1HG LYS 61 -7.460 -2.659 3.512 420 HG3 LYS 61 2HG LYS 61 -6.415 -1.451 2.760 421 HD2 LYS 61 1HD LYS 61 -7.705 0.321 3.515 422 HD3 LYS 61 2HD LYS 61 -9.141 -0.684 3.728 423 HE2 LYS 61 1HE LYS 61 -6.694 -1.176 5.378 424 HE3 LYS 61 2HE LYS 61 -7.810 0.118 5.811 425 HZ1 LYS 61 1HZ LYS 61 -9.493 -1.920 5.432 426 HZ2 LYS 61 2HZ LYS 61 -8.833 -1.512 6.935 427 HZ3 LYS 61 3HZ LYS 61 -8.139 -2.751 6.015 428 H CYS 62 H CYS 62 -8.689 -3.181 -1.363 429 HA CYS 62 HA CYS 62 -11.543 -3.703 -1.011 430 HB2 CYS 62 1HB CYS 62 -9.963 -2.800 -3.428 431 HB3 CYS 62 2HB CYS 62 -11.707 -3.041 -3.406 432 H ARG 63 H ARG 63 -8.757 -4.934 -2.832 433 HA ARG 63 HA ARG 63 -10.149 -7.068 -4.068 434 HB2 ARG 63 1HB ARG 63 -8.037 -7.831 -4.810 435 HB3 ARG 63 2HB ARG 63 -7.915 -6.077 -4.765 436 HG2 ARG 63 1HG ARG 63 -6.629 -6.129 -2.774 437 HG3 ARG 63 2HG ARG 63 -6.955 -7.846 -2.534 438 HD2 ARG 63 1HD ARG 63 -5.601 -6.928 -5.033 439 HD3 ARG 63 2HD ARG 63 -4.675 -7.064 -3.539 440 HE ARG 63 HE ARG 63 -6.126 -9.436 -3.946 441 HH11 ARG 63 1HH1 ARG 63 -3.433 -7.671 -5.269 442 HH12 ARG 63 2HH1 ARG 63 -2.625 -9.087 -5.856 443 HH21 ARG 63 1HH2 ARG 63 -5.072 -11.308 -4.713 444 HH22 ARG 63 2HH2 ARG 63 -3.558 -11.155 -5.540 445 H GLY 64 H GLY 64 -8.487 -6.725 -0.999 446 HA2 GLY 64 1HA GLY 64 -8.181 -9.403 -0.293 447 HA3 GLY 64 2HA GLY 64 -8.411 -8.085 0.847 448 H ASP 65 H ASP 65 -9.454 -10.156 1.845 449 HA ASP 65 HA ASP 65 -12.202 -10.527 0.927 450 HB2 ASP 65 1HB ASP 65 -10.714 -12.477 1.556 451 HB3 ASP 65 2HB ASP 65 -10.828 -11.925 3.225 452 H SER 66 H SER 66 -12.928 -8.410 1.530 453 HA SER 66 HA SER 66 -13.175 -7.990 4.432 454 HB2 SER 66 1HB SER 66 -13.175 -6.083 2.102 455 HB3 SER 66 2HB SER 66 -13.830 -5.611 3.670 456 HG SER 66 HG SER 66 -11.821 -5.958 4.586 457 H GLY 67 H GLY 67 -15.010 -7.655 1.395 458 HA2 GLY 67 1HA GLY 67 -17.287 -8.980 2.145 459 HA3 GLY 67 2HA GLY 67 -17.516 -7.348 2.755 460 HA PRO 68 HA PRO 68 -17.173 -6.784 -2.016 461 HB2 PRO 68 1HB PRO 68 -16.814 -9.012 -3.525 462 HB3 PRO 68 2HB PRO 68 -15.470 -8.069 -2.870 463 HG2 PRO 68 1HG PRO 68 -16.687 -10.602 -1.838 464 HG3 PRO 68 2HG PRO 68 -14.976 -10.156 -1.972 465 HD2 PRO 68 1HD PRO 68 -16.339 -10.016 0.363 466 HD3 PRO 68 2HD PRO 68 -15.023 -8.896 -0.043 467 H SER 69 H SER 69 -19.323 -6.305 -2.073 468 HA SER 69 HA SER 69 -21.087 -8.326 -3.184 469 HB2 SER 69 1HB SER 69 -21.453 -7.119 -0.463 470 HB3 SER 69 2HB SER 69 -22.868 -7.539 -1.428 471 HG SER 69 HG SER 69 -22.355 -9.633 -1.308 472 H SER 70 H SER 70 -23.223 -7.361 -3.805 473 HA SER 70 HA SER 70 -23.484 -4.526 -3.975 474 HB2 SER 70 1HB SER 70 -23.276 -4.322 -6.423 475 HB3 SER 70 2HB SER 70 -21.751 -4.814 -5.686 476 HG SER 70 HG SER 70 -22.463 -6.006 -7.621 477 H GLY 71 H GLY 71 -25.337 -3.949 -5.535 478 HA2 GLY 71 1HA GLY 71 -27.394 -6.044 -5.255 479 HA3 GLY 71 2HA GLY 71 -27.715 -4.316 -5.239 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 34.788 20.843 5.506 2 HA2 GLY 1 1HA GLY 1 34.034 19.101 3.408 3 HA3 GLY 1 2HA GLY 1 34.868 18.190 4.658 4 H SER 2 H SER 2 31.913 18.882 3.589 5 HA SER 2 HA SER 2 30.727 18.470 6.231 6 HB2 SER 2 1HB SER 2 30.230 20.791 4.424 7 HB3 SER 2 2HB SER 2 28.854 20.115 5.295 8 HG SER 2 HG SER 2 30.983 21.577 6.228 9 H SER 3 H SER 3 28.764 17.361 6.217 10 HA SER 3 HA SER 3 27.669 16.522 3.645 11 HB2 SER 3 1HB SER 3 28.566 14.540 5.751 12 HB3 SER 3 2HB SER 3 27.739 14.146 4.244 13 HG SER 3 HG SER 3 30.079 13.922 4.210 14 H GLY 4 H GLY 4 25.687 15.043 4.070 15 HA2 GLY 4 1HA GLY 4 23.746 14.567 5.290 16 HA3 GLY 4 2HA GLY 4 24.331 15.604 6.582 17 H SER 5 H SER 5 21.747 15.380 4.951 18 HA SER 5 HA SER 5 21.504 18.267 4.448 19 HB2 SER 5 1HB SER 5 20.310 16.084 2.722 20 HB3 SER 5 2HB SER 5 20.073 17.818 2.503 21 HG SER 5 HG SER 5 22.449 17.893 2.314 22 H SER 6 H SER 6 19.918 19.162 5.580 23 HA SER 6 HA SER 6 18.227 17.641 7.264 24 HB2 SER 6 1HB SER 6 17.205 19.789 7.855 25 HB3 SER 6 2HB SER 6 18.962 19.932 7.817 26 HG SER 6 HG SER 6 17.766 21.649 6.735 27 H GLY 7 H GLY 7 17.580 19.520 4.311 28 HA2 GLY 7 1HA GLY 7 16.014 19.070 2.653 29 HA3 GLY 7 2HA GLY 7 15.428 17.718 3.613 30 H GLU 8 H GLU 8 13.319 18.565 2.868 31 HA GLU 8 HA GLU 8 12.348 20.608 4.747 32 HB2 GLU 8 1HB GLU 8 10.805 21.421 2.973 33 HB3 GLU 8 2HB GLU 8 12.501 21.708 2.611 34 HG2 GLU 8 1HG GLU 8 11.094 19.288 1.559 35 HG3 GLU 8 2HG GLU 8 10.962 20.847 0.745 36 H PHE 9 H PHE 9 11.712 17.741 2.842 37 HA PHE 9 HA PHE 9 9.071 17.245 3.200 38 HB2 PHE 9 1HB PHE 9 11.318 15.249 3.545 39 HB3 PHE 9 2HB PHE 9 9.630 14.831 3.270 40 HD1 PHE 9 HD1 PHE 9 8.545 15.580 1.113 41 HD2 PHE 9 HD2 PHE 9 12.750 15.708 1.759 42 HE1 PHE 9 HE1 PHE 9 8.912 15.690 -1.318 43 HE2 PHE 9 HE2 PHE 9 13.123 15.819 -0.670 44 HZ PHE 9 HZ PHE 9 11.203 15.811 -2.212 45 H ALA 10 H ALA 10 7.945 17.718 4.987 46 HA ALA 10 HA ALA 10 8.777 16.431 7.499 47 HB1 ALA 10 1HB ALA 10 8.372 18.325 8.779 48 HB2 ALA 10 2HB ALA 10 9.166 18.978 7.345 49 HB3 ALA 10 3HB ALA 10 7.414 19.097 7.514 50 H ILE 11 H ILE 11 7.064 15.880 8.940 51 HA ILE 11 HA ILE 11 4.469 15.591 7.576 52 HB ILE 11 HB ILE 11 5.653 13.881 9.766 53 HG12 ILE 11 1HG1 ILE 11 5.001 13.016 6.959 54 HG13 ILE 11 2HG1 ILE 11 6.562 13.729 7.351 55 HG21 ILE 11 1HG2 ILE 11 3.700 12.424 9.364 56 HG22 ILE 11 2HG2 ILE 11 3.255 14.008 9.998 57 HG23 ILE 11 3HG2 ILE 11 3.039 13.651 8.284 58 HD11 ILE 11 1HD1 ILE 11 5.460 11.330 8.780 59 HD12 ILE 11 2HD1 ILE 11 6.462 11.220 7.333 60 HD13 ILE 11 3HD1 ILE 11 7.110 11.951 8.801 61 H ASP 12 H ASP 12 3.194 17.205 8.256 62 HA ASP 12 HA ASP 12 3.172 17.886 11.113 63 HB2 ASP 12 1HB ASP 12 1.696 19.456 9.029 64 HB3 ASP 12 2HB ASP 12 2.392 20.004 10.551 65 HA PRO 13 HA PRO 13 -0.735 15.995 11.772 66 HB2 PRO 13 1HB PRO 13 -1.743 17.602 13.714 67 HB3 PRO 13 2HB PRO 13 -0.432 16.452 14.003 68 HG2 PRO 13 1HG PRO 13 -0.290 19.402 13.514 69 HG3 PRO 13 2HG PRO 13 0.595 18.420 14.696 70 HD2 PRO 13 1HD PRO 13 1.700 19.238 12.363 71 HD3 PRO 13 2HD PRO 13 2.130 17.699 13.135 72 H ASN 14 H ASN 14 -0.399 18.897 10.227 73 HA ASN 14 HA ASN 14 -3.289 19.381 10.028 74 HB2 ASN 14 1HB ASN 14 -0.866 21.081 9.600 75 HB3 ASN 14 2HB ASN 14 -2.338 21.469 8.714 76 HD21 ASN 14 1HD2 ASN 14 -4.351 21.292 10.257 77 HD22 ASN 14 2HD2 ASN 14 -4.189 22.184 11.728 78 H GLU 15 H GLU 15 -2.261 17.111 8.745 79 HA GLU 15 HA GLU 15 -2.914 17.774 5.981 80 HB2 GLU 15 1HB GLU 15 -0.312 16.673 6.917 81 HB3 GLU 15 2HB GLU 15 -0.985 16.016 5.432 82 HG2 GLU 15 1HG GLU 15 0.265 17.703 4.572 83 HG3 GLU 15 2HG GLU 15 -1.252 18.564 4.826 84 HA PRO 16 HA PRO 16 -5.346 14.123 6.381 85 HB2 PRO 16 1HB PRO 16 -5.792 13.637 3.748 86 HB3 PRO 16 2HB PRO 16 -6.587 14.946 4.631 87 HG2 PRO 16 1HG PRO 16 -4.204 15.056 2.822 88 HG3 PRO 16 2HG PRO 16 -5.587 16.161 2.919 89 HD2 PRO 16 1HD PRO 16 -3.193 16.720 4.054 90 HD3 PRO 16 2HD PRO 16 -4.731 17.273 4.747 91 H THR 17 H THR 17 -5.485 11.885 5.207 92 HA THR 17 HA THR 17 -2.812 10.898 4.515 93 HB THR 17 HB THR 17 -3.046 8.957 5.980 94 HG1 THR 17 HG1 THR 17 -4.808 8.662 7.231 95 HG21 THR 17 1HG2 THR 17 -3.254 10.436 8.223 96 HG22 THR 17 2HG2 THR 17 -2.995 11.715 7.037 97 HG23 THR 17 3HG2 THR 17 -1.816 10.415 7.203 98 H TYR 18 H TYR 18 -2.781 9.062 3.205 99 HA TYR 18 HA TYR 18 -5.401 8.194 2.175 100 HB2 TYR 18 1HB TYR 18 -2.871 8.652 0.580 101 HB3 TYR 18 2HB TYR 18 -4.374 7.998 -0.062 102 HD1 TYR 18 HD1 TYR 18 -6.334 9.439 -0.351 103 HD2 TYR 18 HD2 TYR 18 -2.634 11.007 1.045 104 HE1 TYR 18 HE1 TYR 18 -7.125 11.717 -0.835 105 HE2 TYR 18 HE2 TYR 18 -3.415 13.290 0.566 106 HH TYR 18 HH TYR 18 -6.088 13.958 -1.333 107 H CYS 19 H CYS 19 -2.030 7.207 1.601 108 HA CYS 19 HA CYS 19 -2.291 4.575 1.190 109 HB2 CYS 19 1HB CYS 19 -0.130 5.849 1.334 110 HB3 CYS 19 2HB CYS 19 -0.209 5.675 3.084 111 H LEU 20 H LEU 20 -2.183 2.650 2.482 112 HA LEU 20 HA LEU 20 -4.079 2.517 4.512 113 HB2 LEU 20 1HB LEU 20 -1.793 0.592 4.171 114 HB3 LEU 20 2HB LEU 20 -3.382 0.264 4.858 115 HG LEU 20 HG LEU 20 -3.231 1.141 2.017 116 HD11 LEU 20 1HD1 LEU 20 -2.926 -1.233 1.341 117 HD12 LEU 20 2HD1 LEU 20 -2.478 -1.603 3.005 118 HD13 LEU 20 3HD1 LEU 20 -1.488 -0.499 2.051 119 HD21 LEU 20 1HD2 LEU 20 -5.291 0.228 1.874 120 HD22 LEU 20 2HD2 LEU 20 -5.277 0.469 3.622 121 HD23 LEU 20 3HD2 LEU 20 -4.892 -1.115 2.947 122 H CYS 21 H CYS 21 -0.581 2.896 4.688 123 HA CYS 21 HA CYS 21 -0.283 2.522 7.456 124 HB2 CYS 21 1HB CYS 21 1.857 3.684 7.203 125 HB3 CYS 21 2HB CYS 21 1.614 2.532 5.894 126 H ASN 22 H ASN 22 -1.796 5.004 5.725 127 HA ASN 22 HA ASN 22 -2.913 6.861 6.446 128 HB2 ASN 22 1HB ASN 22 -3.106 5.473 8.614 129 HB3 ASN 22 2HB ASN 22 -1.787 6.476 9.211 130 HD21 ASN 22 1HD2 ASN 22 -2.153 8.617 9.678 131 HD22 ASN 22 2HD2 ASN 22 -3.738 9.300 9.761 132 H GLN 23 H GLN 23 -0.516 7.159 5.194 133 HA GLN 23 HA GLN 23 0.728 9.399 6.649 134 HB2 GLN 23 1HB GLN 23 1.949 7.330 4.838 135 HB3 GLN 23 2HB GLN 23 2.741 8.872 5.132 136 HG2 GLN 23 1HG GLN 23 1.912 7.024 7.348 137 HG3 GLN 23 2HG GLN 23 3.485 6.930 6.558 138 HE21 GLN 23 1HE2 GLN 23 3.105 7.437 9.292 139 HE22 GLN 23 2HE2 GLN 23 3.677 9.031 9.631 140 H VAL 24 H VAL 24 1.985 10.832 4.953 141 HA VAL 24 HA VAL 24 -0.021 11.627 2.973 142 HB VAL 24 HB VAL 24 1.122 13.765 2.873 143 HG11 VAL 24 1HG1 VAL 24 -0.385 12.898 4.925 144 HG12 VAL 24 2HG1 VAL 24 1.072 13.379 5.797 145 HG13 VAL 24 3HG1 VAL 24 0.219 14.549 4.790 146 HG21 VAL 24 1HG2 VAL 24 3.407 12.663 3.298 147 HG22 VAL 24 2HG2 VAL 24 3.123 14.274 3.958 148 HG23 VAL 24 3HG2 VAL 24 3.023 12.860 5.008 149 H SER 25 H SER 25 0.457 11.927 0.808 150 HA SER 25 HA SER 25 2.141 10.148 -0.446 151 HB2 SER 25 1HB SER 25 0.318 11.342 -1.594 152 HB3 SER 25 2HB SER 25 1.243 12.840 -1.504 153 HG SER 25 HG SER 25 2.921 11.466 -2.653 154 H TYR 26 H TYR 26 4.252 10.046 -0.886 155 HA TYR 26 HA TYR 26 5.873 12.482 -0.596 156 HB2 TYR 26 1HB TYR 26 7.635 11.122 0.507 157 HB3 TYR 26 2HB TYR 26 6.157 11.228 1.457 158 HD1 TYR 26 HD1 TYR 26 7.968 9.011 -0.922 159 HD2 TYR 26 HD2 TYR 26 5.106 9.284 2.214 160 HE1 TYR 26 HE1 TYR 26 7.885 6.557 -0.793 161 HE2 TYR 26 HE2 TYR 26 5.015 6.830 2.353 162 HH TYR 26 HH TYR 26 7.151 4.851 1.361 163 H GLY 27 H GLY 27 5.494 9.278 -1.989 164 HA2 GLY 27 1HA GLY 27 7.332 10.095 -4.146 165 HA3 GLY 27 2HA GLY 27 7.468 8.501 -3.417 166 H GLU 28 H GLU 28 7.044 7.393 -5.318 167 HA GLU 28 HA GLU 28 4.937 7.916 -7.082 168 HB2 GLU 28 1HB GLU 28 6.680 5.575 -6.507 169 HB3 GLU 28 2HB GLU 28 5.222 5.288 -7.446 170 HG2 GLU 28 1HG GLU 28 6.988 7.533 -8.251 171 HG3 GLU 28 2HG GLU 28 7.517 5.886 -8.589 172 H MET 29 H MET 29 2.812 7.531 -7.024 173 HA MET 29 HA MET 29 1.768 5.660 -5.016 174 HB2 MET 29 1HB MET 29 0.982 8.525 -5.447 175 HB3 MET 29 2HB MET 29 -0.173 7.370 -4.796 176 HG2 MET 29 1HG MET 29 1.574 6.841 -3.036 177 HG3 MET 29 2HG MET 29 2.423 8.277 -3.602 178 HE1 MET 29 1HE MET 29 0.027 6.645 -1.611 179 HE2 MET 29 2HE MET 29 0.480 7.773 -0.334 180 HE3 MET 29 3HE MET 29 -1.155 7.801 -0.996 181 H ILE 30 H ILE 30 -0.245 4.703 -5.527 182 HA ILE 30 HA ILE 30 -0.992 4.944 -8.369 183 HB ILE 30 HB ILE 30 -1.565 2.633 -8.423 184 HG12 ILE 30 1HG1 ILE 30 -2.517 2.532 -6.124 185 HG13 ILE 30 2HG1 ILE 30 -1.475 1.165 -6.500 186 HG21 ILE 30 1HG2 ILE 30 0.566 2.129 -8.774 187 HG22 ILE 30 2HG2 ILE 30 1.048 3.539 -7.833 188 HG23 ILE 30 3HG2 ILE 30 0.834 1.980 -7.038 189 HD11 ILE 30 1HD1 ILE 30 -0.562 1.603 -4.513 190 HD12 ILE 30 2HD1 ILE 30 0.286 2.893 -5.366 191 HD13 ILE 30 3HD1 ILE 30 -1.193 3.249 -4.474 192 H GLY 31 H GLY 31 -3.229 4.607 -8.901 193 HA2 GLY 31 1HA GLY 31 -5.006 5.446 -6.705 194 HA3 GLY 31 2HA GLY 31 -5.290 5.757 -8.411 195 H CYS 32 H CYS 32 -5.986 3.746 -5.800 196 HA CYS 32 HA CYS 32 -6.397 1.237 -6.733 197 HB2 CYS 32 1HB CYS 32 -6.971 1.830 -4.463 198 HB3 CYS 32 2HB CYS 32 -8.268 2.882 -5.021 199 H ASP 33 H ASP 33 -7.199 0.566 -8.604 200 HA ASP 33 HA ASP 33 -8.647 1.885 -10.465 201 HB2 ASP 33 1HB ASP 33 -7.852 -0.247 -11.069 202 HB3 ASP 33 2HB ASP 33 -8.669 -1.030 -9.719 203 H ASN 34 H ASN 34 -9.963 0.178 -7.663 204 HA ASN 34 HA ASN 34 -12.685 0.456 -8.316 205 HB2 ASN 34 1HB ASN 34 -11.810 -1.084 -6.575 206 HB3 ASN 34 2HB ASN 34 -11.446 0.308 -5.559 207 HD21 ASN 34 1HD2 ASN 34 -12.842 0.316 -3.953 208 HD22 ASN 34 2HD2 ASN 34 -14.552 0.117 -4.094 209 H GLU 35 H GLU 35 -13.349 2.458 -8.922 210 HA GLU 35 HA GLU 35 -12.560 4.916 -8.018 211 HB2 GLU 35 1HB GLU 35 -15.139 3.887 -9.119 212 HB3 GLU 35 2HB GLU 35 -15.088 5.527 -8.489 213 HG2 GLU 35 1HG GLU 35 -13.011 5.780 -10.018 214 HG3 GLU 35 2HG GLU 35 -13.660 4.359 -10.835 215 H GLN 36 H GLN 36 -15.279 3.010 -6.724 216 HA GLN 36 HA GLN 36 -16.272 4.584 -4.786 217 HB2 GLN 36 1HB GLN 36 -16.809 2.130 -5.301 218 HB3 GLN 36 2HB GLN 36 -15.545 1.734 -4.144 219 HG2 GLN 36 1HG GLN 36 -17.651 1.637 -3.032 220 HG3 GLN 36 2HG GLN 36 -16.769 3.040 -2.433 221 HE21 GLN 36 1HE2 GLN 36 -19.591 1.910 -3.969 222 HE22 GLN 36 2HE2 GLN 36 -20.354 3.441 -4.213 223 H CYS 37 H CYS 37 -13.232 2.788 -4.566 224 HA CYS 37 HA CYS 37 -12.500 3.087 -1.977 225 HB2 CYS 37 1HB CYS 37 -11.181 2.245 -4.122 226 HB3 CYS 37 2HB CYS 37 -10.448 3.842 -4.007 227 HA PRO 38 HA PRO 38 -12.823 7.529 -1.459 228 HB2 PRO 38 1HB PRO 38 -12.432 7.482 1.227 229 HB3 PRO 38 2HB PRO 38 -13.981 7.083 0.475 230 HG2 PRO 38 1HG PRO 38 -11.840 5.253 1.490 231 HG3 PRO 38 2HG PRO 38 -13.598 5.130 1.679 232 HD2 PRO 38 1HD PRO 38 -12.226 3.688 -0.157 233 HD3 PRO 38 2HD PRO 38 -13.889 4.246 -0.430 234 H ILE 39 H ILE 39 -10.184 5.503 -1.283 235 HA ILE 39 HA ILE 39 -8.375 7.662 -0.430 236 HB ILE 39 HB ILE 39 -7.858 4.693 -0.616 237 HG12 ILE 39 1HG1 ILE 39 -8.066 6.518 1.789 238 HG13 ILE 39 2HG1 ILE 39 -9.301 5.375 1.273 239 HG21 ILE 39 1HG2 ILE 39 -5.730 5.345 -0.883 240 HG22 ILE 39 2HG2 ILE 39 -6.072 6.999 -0.380 241 HG23 ILE 39 3HG2 ILE 39 -5.806 5.746 0.832 242 HD11 ILE 39 1HD1 ILE 39 -8.223 4.239 2.961 243 HD12 ILE 39 2HD1 ILE 39 -7.422 3.617 1.518 244 HD13 ILE 39 3HD1 ILE 39 -6.634 4.851 2.502 245 H GLU 40 H GLU 40 -8.496 4.979 -2.781 246 HA GLU 40 HA GLU 40 -7.397 4.715 -4.783 247 HB2 GLU 40 1HB GLU 40 -8.926 7.270 -4.897 248 HB3 GLU 40 2HB GLU 40 -7.860 6.891 -6.242 249 HG2 GLU 40 1HG GLU 40 -9.087 4.582 -6.170 250 HG3 GLU 40 2HG GLU 40 -10.333 5.508 -5.336 251 H TRP 41 H TRP 41 -5.629 5.585 -2.762 252 HA TRP 41 HA TRP 41 -3.497 6.586 -4.384 253 HB2 TRP 41 1HB TRP 41 -4.634 8.351 -2.211 254 HB3 TRP 41 2HB TRP 41 -3.028 8.570 -2.901 255 HD1 TRP 41 HD1 TRP 41 -6.416 9.823 -3.289 256 HE1 TRP 41 HE1 TRP 41 -6.746 10.956 -5.577 257 HE3 TRP 41 HE3 TRP 41 -2.235 8.088 -5.666 258 HZ2 TRP 41 HZ2 TRP 41 -5.412 11.095 -8.060 259 HZ3 TRP 41 HZ3 TRP 41 -1.836 8.768 -7.997 260 HH2 TRP 41 HH2 TRP 41 -3.393 10.240 -9.168 261 H PHE 42 H PHE 42 -1.956 5.215 -3.792 262 HA PHE 42 HA PHE 42 -1.239 5.021 -0.974 263 HB2 PHE 42 1HB PHE 42 -1.646 2.538 -2.648 264 HB3 PHE 42 2HB PHE 42 -1.204 2.610 -0.945 265 HD1 PHE 42 HD1 PHE 42 -3.922 3.458 -3.324 266 HD2 PHE 42 HD2 PHE 42 -2.845 2.604 0.704 267 HE1 PHE 42 HE1 PHE 42 -6.303 3.371 -2.709 268 HE2 PHE 42 HE2 PHE 42 -5.224 2.514 1.325 269 HZ PHE 42 HZ PHE 42 -6.957 2.897 -0.382 270 H HIS 43 H HIS 43 0.900 4.149 -0.627 271 HA HIS 43 HA HIS 43 2.722 4.959 -2.701 272 HB2 HIS 43 1HB HIS 43 3.407 3.621 -0.081 273 HB3 HIS 43 2HB HIS 43 4.460 4.614 -1.084 274 HD2 HIS 43 HD2 HIS 43 3.050 7.371 -1.342 275 HE1 HIS 43 HE1 HIS 43 2.142 7.136 2.796 276 HE2 HIS 43 HE2 HIS 43 2.244 8.629 0.770 277 H PHE 44 H PHE 44 4.627 3.536 -3.243 278 HA PHE 44 HA PHE 44 3.620 1.015 -4.227 279 HB2 PHE 44 1HB PHE 44 6.204 2.519 -4.587 280 HB3 PHE 44 2HB PHE 44 6.004 0.876 -5.187 281 HD1 PHE 44 HD2 PHE 44 3.634 3.746 -5.148 282 HD2 PHE 44 HD1 PHE 44 5.921 1.023 -7.488 283 HE1 PHE 44 HE2 PHE 44 2.585 4.626 -7.192 284 HE2 PHE 44 HE1 PHE 44 4.875 1.899 -9.535 285 HZ PHE 44 HZ PHE 44 3.204 3.702 -9.389 286 H SER 45 H SER 45 6.570 1.905 -2.425 287 HA SER 45 HA SER 45 7.448 -0.564 -1.690 288 HB2 SER 45 1HB SER 45 8.707 1.426 -1.129 289 HB3 SER 45 2HB SER 45 7.444 1.961 -0.020 290 HG SER 45 HG SER 45 8.533 -0.563 0.416 291 H CYS 46 H CYS 46 4.886 1.313 -0.140 292 HA CYS 46 HA CYS 46 4.456 -0.416 2.043 293 HB2 CYS 46 1HB CYS 46 2.901 1.752 0.709 294 HB3 CYS 46 2HB CYS 46 2.044 0.682 1.814 295 H VAL 47 H VAL 47 2.810 -0.170 -1.102 296 HA VAL 47 HA VAL 47 1.261 -2.560 -0.573 297 HB VAL 47 HB VAL 47 0.298 -2.208 -2.793 298 HG11 VAL 47 1HG1 VAL 47 -0.257 -0.796 -0.633 299 HG12 VAL 47 2HG1 VAL 47 0.332 0.531 -1.636 300 HG13 VAL 47 3HG1 VAL 47 -1.029 -0.450 -2.181 301 HG21 VAL 47 1HG2 VAL 47 1.975 -1.418 -4.173 302 HG22 VAL 47 2HG2 VAL 47 1.005 0.031 -3.912 303 HG23 VAL 47 3HG2 VAL 47 2.503 -0.201 -3.011 304 H SER 48 H SER 48 4.260 -2.605 -0.818 305 HA SER 48 HA SER 48 5.913 -3.851 -1.778 306 HB2 SER 48 1HB SER 48 4.522 -5.621 -0.740 307 HB3 SER 48 2HB SER 48 3.623 -5.776 -2.250 308 HG SER 48 HG SER 48 6.425 -6.156 -1.998 309 H LEU 49 H LEU 49 5.152 -1.938 -3.505 310 HA LEU 49 HA LEU 49 5.005 -3.314 -6.107 311 HB2 LEU 49 1HB LEU 49 3.802 -0.801 -5.098 312 HB3 LEU 49 2HB LEU 49 4.359 -0.809 -6.770 313 HG LEU 49 HG LEU 49 2.390 -2.793 -5.639 314 HD11 LEU 49 1HD1 LEU 49 1.226 -1.011 -7.522 315 HD12 LEU 49 2HD1 LEU 49 1.993 -0.059 -6.251 316 HD13 LEU 49 3HD1 LEU 49 0.788 -1.278 -5.835 317 HD21 LEU 49 1HD2 LEU 49 3.051 -2.102 -8.497 318 HD22 LEU 49 2HD2 LEU 49 1.981 -3.383 -7.925 319 HD23 LEU 49 3HD2 LEU 49 3.717 -3.486 -7.629 320 H THR 50 H THR 50 6.418 -2.706 -7.734 321 HA THR 50 HA THR 50 8.722 -1.105 -6.839 322 HB THR 50 HB THR 50 9.975 -2.308 -8.669 323 HG1 THR 50 HG1 THR 50 7.822 -3.022 -9.615 324 HG21 THR 50 1HG2 THR 50 10.564 -4.049 -7.272 325 HG22 THR 50 2HG2 THR 50 8.901 -4.346 -6.767 326 HG23 THR 50 3HG2 THR 50 9.778 -2.953 -6.136 327 H TYR 51 H TYR 51 6.394 -1.589 -9.413 328 HA TYR 51 HA TYR 51 6.940 1.074 -10.414 329 HB2 TYR 51 1HB TYR 51 7.140 0.255 -12.777 330 HB3 TYR 51 2HB TYR 51 8.513 -0.148 -11.752 331 HD1 TYR 51 HD2 TYR 51 5.270 -1.610 -12.899 332 HD2 TYR 51 HD1 TYR 51 9.319 -2.314 -11.796 333 HE1 TYR 51 HE2 TYR 51 5.016 -3.981 -13.500 334 HE2 TYR 51 HE1 TYR 51 9.076 -4.687 -12.395 335 HH TYR 51 HH TYR 51 7.599 -6.058 -13.918 336 H LYS 52 H LYS 52 5.292 1.856 -11.857 337 HA LYS 52 HA LYS 52 2.707 1.324 -11.092 338 HB2 LYS 52 1HB LYS 52 3.782 3.202 -12.629 339 HB3 LYS 52 2HB LYS 52 3.169 2.171 -13.915 340 HG2 LYS 52 1HG LYS 52 1.514 3.312 -11.673 341 HG3 LYS 52 2HG LYS 52 1.608 3.965 -13.310 342 HD2 LYS 52 1HD LYS 52 0.627 1.985 -14.228 343 HD3 LYS 52 2HD LYS 52 0.726 1.153 -12.675 344 HE2 LYS 52 1HE LYS 52 -1.546 1.908 -13.103 345 HE3 LYS 52 2HE LYS 52 -0.858 2.759 -11.721 346 HZ1 LYS 52 1HZ LYS 52 -1.415 4.629 -12.744 347 HZ2 LYS 52 2HZ LYS 52 -1.849 3.816 -14.162 348 HZ3 LYS 52 3HZ LYS 52 -0.245 4.297 -13.920 349 HA PRO 53 HA PRO 53 2.164 -2.707 -12.977 350 HB2 PRO 53 1HB PRO 53 -0.274 -3.162 -11.870 351 HB3 PRO 53 2HB PRO 53 1.239 -3.366 -10.979 352 HG2 PRO 53 1HG PRO 53 -0.677 -1.066 -10.957 353 HG3 PRO 53 2HG PRO 53 0.157 -1.841 -9.597 354 HD2 PRO 53 1HD PRO 53 1.003 0.488 -10.688 355 HD3 PRO 53 2HD PRO 53 2.121 -0.699 -9.987 356 H LYS 54 H LYS 54 1.489 -3.014 -14.996 357 HA LYS 54 HA LYS 54 -0.058 -1.204 -16.449 358 HB2 LYS 54 1HB LYS 54 0.711 -4.072 -16.914 359 HB3 LYS 54 2HB LYS 54 -0.325 -3.219 -18.050 360 HG2 LYS 54 1HG LYS 54 1.683 -2.803 -19.013 361 HG3 LYS 54 2HG LYS 54 1.622 -1.429 -17.908 362 HD2 LYS 54 1HD LYS 54 2.895 -2.798 -16.253 363 HD3 LYS 54 2HD LYS 54 3.069 -4.043 -17.492 364 HE2 LYS 54 1HE LYS 54 5.030 -2.904 -17.789 365 HE3 LYS 54 2HE LYS 54 3.992 -2.027 -18.912 366 HZ1 LYS 54 1HZ LYS 54 4.236 -1.114 -16.124 367 HZ2 LYS 54 2HZ LYS 54 3.853 -0.224 -17.510 368 HZ3 LYS 54 3HZ LYS 54 5.446 -0.726 -17.242 369 H GLY 55 H GLY 55 -2.132 -1.800 -17.617 370 HA2 GLY 55 1HA GLY 55 -4.374 -2.292 -17.547 371 HA3 GLY 55 2HA GLY 55 -3.956 -3.643 -16.504 372 H LYS 56 H LYS 56 -5.276 -3.562 -14.808 373 HA LYS 56 HA LYS 56 -5.719 -0.955 -13.510 374 HB2 LYS 56 1HB LYS 56 -7.420 -3.449 -13.331 375 HB3 LYS 56 2HB LYS 56 -7.783 -1.889 -12.603 376 HG2 LYS 56 1HG LYS 56 -9.080 -1.751 -14.462 377 HG3 LYS 56 2HG LYS 56 -7.583 -1.072 -15.106 378 HD2 LYS 56 1HD LYS 56 -7.007 -3.127 -16.156 379 HD3 LYS 56 2HD LYS 56 -8.289 -3.994 -15.307 380 HE2 LYS 56 1HE LYS 56 -9.979 -2.820 -16.541 381 HE3 LYS 56 2HE LYS 56 -8.775 -1.757 -17.269 382 HZ1 LYS 56 1HZ LYS 56 -9.407 -3.443 -18.832 383 HZ2 LYS 56 2HZ LYS 56 -9.061 -4.676 -17.728 384 HZ3 LYS 56 3HZ LYS 56 -7.809 -3.726 -18.353 385 H TRP 57 H TRP 57 -5.611 -0.813 -11.245 386 HA TRP 57 HA TRP 57 -4.360 -3.102 -9.884 387 HB2 TRP 57 1HB TRP 57 -2.605 -1.486 -10.440 388 HB3 TRP 57 2HB TRP 57 -3.518 -0.205 -9.648 389 HD1 TRP 57 HD1 TRP 57 -1.337 -3.244 -8.877 390 HE1 TRP 57 HE1 TRP 57 -0.652 -3.162 -6.397 391 HE3 TRP 57 HE3 TRP 57 -4.269 0.657 -7.355 392 HZ2 TRP 57 HZ2 TRP 57 -1.274 -1.644 -4.100 393 HZ3 TRP 57 HZ3 TRP 57 -4.166 1.361 -5.000 394 HH2 TRP 57 HH2 TRP 57 -2.699 0.233 -3.407 395 H TYR 58 H TYR 58 -5.827 -3.742 -8.442 396 HA TYR 58 HA TYR 58 -7.492 -1.759 -7.086 397 HB2 TYR 58 1HB TYR 58 -7.633 -4.775 -7.209 398 HB3 TYR 58 2HB TYR 58 -8.714 -3.786 -6.234 399 HD1 TYR 58 HD1 TYR 58 -7.604 -4.379 -9.732 400 HD2 TYR 58 HD2 TYR 58 -10.644 -2.850 -7.178 401 HE1 TYR 58 HE1 TYR 58 -9.087 -4.099 -11.674 402 HE2 TYR 58 HE2 TYR 58 -12.135 -2.567 -9.113 403 HH TYR 58 HH TYR 58 -11.343 -2.320 -12.024 404 H CYS 59 H CYS 59 -7.008 -1.053 -5.125 405 HA CYS 59 HA CYS 59 -4.764 -1.688 -3.678 406 HB2 CYS 59 1HB CYS 59 -5.575 -0.303 -2.021 407 HB3 CYS 59 2HB CYS 59 -6.570 0.206 -3.382 408 HA PRO 60 HA PRO 60 -5.407 -5.517 -1.635 409 HB2 PRO 60 1HB PRO 60 -4.175 -5.083 0.745 410 HB3 PRO 60 2HB PRO 60 -3.291 -5.286 -0.772 411 HG2 PRO 60 1HG PRO 60 -4.015 -2.768 0.677 412 HG3 PRO 60 2HG PRO 60 -2.486 -3.207 -0.108 413 HD2 PRO 60 1HD PRO 60 -4.311 -1.584 -1.278 414 HD3 PRO 60 2HD PRO 60 -3.269 -2.677 -2.211 415 H LYS 61 H LYS 61 -6.650 -2.603 -0.291 416 HA LYS 61 HA LYS 61 -8.002 -3.806 1.937 417 HB2 LYS 61 1HB LYS 61 -7.292 -1.272 1.401 418 HB3 LYS 61 2HB LYS 61 -8.955 -1.220 0.831 419 HG2 LYS 61 1HG LYS 61 -9.377 -2.382 3.188 420 HG3 LYS 61 2HG LYS 61 -7.895 -1.505 3.577 421 HD2 LYS 61 1HD LYS 61 -10.040 -0.037 2.138 422 HD3 LYS 61 2HD LYS 61 -10.296 -0.405 3.845 423 HE2 LYS 61 1HE LYS 61 -7.861 0.546 4.085 424 HE3 LYS 61 2HE LYS 61 -8.245 1.338 2.557 425 HZ1 LYS 61 1HZ LYS 61 -9.049 2.050 5.163 426 HZ2 LYS 61 2HZ LYS 61 -10.423 1.715 4.236 427 HZ3 LYS 61 3HZ LYS 61 -9.311 2.878 3.712 428 H CYS 62 H CYS 62 -8.704 -3.246 -1.413 429 HA CYS 62 HA CYS 62 -11.535 -3.867 -1.039 430 HB2 CYS 62 1HB CYS 62 -9.971 -3.027 -3.487 431 HB3 CYS 62 2HB CYS 62 -11.696 -3.381 -3.486 432 H ARG 63 H ARG 63 -8.779 -5.024 -2.978 433 HA ARG 63 HA ARG 63 -9.992 -7.269 -4.076 434 HB2 ARG 63 1HB ARG 63 -7.818 -8.045 -4.607 435 HB3 ARG 63 2HB ARG 63 -7.722 -6.290 -4.643 436 HG2 ARG 63 1HG ARG 63 -5.839 -6.725 -3.463 437 HG3 ARG 63 2HG ARG 63 -6.985 -6.654 -2.123 438 HD2 ARG 63 1HD ARG 63 -5.537 -8.601 -1.924 439 HD3 ARG 63 2HD ARG 63 -7.210 -9.088 -2.188 440 HE ARG 63 HE ARG 63 -5.752 -8.927 -4.631 441 HH11 ARG 63 1HH1 ARG 63 -6.321 -10.926 -1.838 442 HH12 ARG 63 2HH1 ARG 63 -5.931 -12.403 -2.654 443 HH21 ARG 63 1HH2 ARG 63 -5.235 -10.865 -5.716 444 HH22 ARG 63 2HH2 ARG 63 -5.312 -12.367 -4.860 445 H GLY 64 H GLY 64 -8.593 -6.780 -0.900 446 HA2 GLY 64 1HA GLY 64 -8.251 -9.374 -0.018 447 HA3 GLY 64 2HA GLY 64 -8.743 -8.040 1.015 448 H ASP 65 H ASP 65 -9.609 -10.559 1.586 449 HA ASP 65 HA ASP 65 -12.434 -10.514 0.745 450 HB2 ASP 65 1HB ASP 65 -12.306 -12.997 1.547 451 HB3 ASP 65 2HB ASP 65 -11.676 -12.563 -0.040 452 H SER 66 H SER 66 -11.539 -8.885 2.827 453 HA SER 66 HA SER 66 -11.832 -10.084 5.377 454 HB2 SER 66 1HB SER 66 -10.686 -8.010 5.316 455 HB3 SER 66 2HB SER 66 -11.985 -7.229 4.414 456 HG SER 66 HG SER 66 -13.294 -7.442 6.281 457 H GLY 67 H GLY 67 -14.068 -8.167 3.375 458 HA2 GLY 67 1HA GLY 67 -16.357 -9.581 3.770 459 HA3 GLY 67 2HA GLY 67 -16.256 -8.570 5.204 460 HA PRO 68 HA PRO 68 -16.624 -5.479 1.513 461 HB2 PRO 68 1HB PRO 68 -16.994 -6.540 -0.958 462 HB3 PRO 68 2HB PRO 68 -15.394 -6.202 -0.287 463 HG2 PRO 68 1HG PRO 68 -16.879 -8.797 -0.427 464 HG3 PRO 68 2HG PRO 68 -15.168 -8.469 -0.753 465 HD2 PRO 68 1HD PRO 68 -16.027 -9.533 1.583 466 HD3 PRO 68 2HD PRO 68 -14.612 -8.466 1.484 467 H SER 69 H SER 69 -18.523 -8.084 2.311 468 HA SER 69 HA SER 69 -20.910 -6.931 1.028 469 HB2 SER 69 1HB SER 69 -21.959 -9.175 1.490 470 HB3 SER 69 2HB SER 69 -20.622 -9.215 0.340 471 HG SER 69 HG SER 69 -20.737 -10.801 2.223 472 H SER 70 H SER 70 -19.929 -5.665 3.270 473 HA SER 70 HA SER 70 -21.761 -6.521 5.412 474 HB2 SER 70 1HB SER 70 -19.285 -4.788 5.611 475 HB3 SER 70 2HB SER 70 -20.314 -5.272 6.959 476 HG SER 70 HG SER 70 -19.214 -7.247 5.301 477 H GLY 71 H GLY 71 -20.482 -3.657 3.740 478 HA2 GLY 71 1HA GLY 71 -22.994 -2.269 4.440 479 HA3 GLY 71 2HA GLY 71 -21.439 -1.452 4.487 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 29.102 27.909 22.337 2 HA2 GLY 1 1HA GLY 1 27.798 29.033 20.047 3 HA3 GLY 1 2HA GLY 1 29.489 29.504 20.139 4 H SER 2 H SER 2 27.393 26.634 20.234 5 HA SER 2 HA SER 2 29.249 25.268 18.453 6 HB2 SER 2 1HB SER 2 28.646 24.405 21.262 7 HB3 SER 2 2HB SER 2 28.969 23.191 20.024 8 HG SER 2 HG SER 2 30.838 24.982 19.734 9 H SER 3 H SER 3 28.336 23.269 17.563 10 HA SER 3 HA SER 3 25.407 23.130 17.743 11 HB2 SER 3 1HB SER 3 25.214 22.933 15.326 12 HB3 SER 3 2HB SER 3 26.046 24.435 15.725 13 HG SER 3 HG SER 3 27.509 22.089 15.197 14 H GLY 4 H GLY 4 24.693 21.101 16.329 15 HA2 GLY 4 1HA GLY 4 26.470 18.898 16.184 16 HA3 GLY 4 2HA GLY 4 25.550 18.826 17.679 17 H SER 5 H SER 5 25.487 16.966 15.467 18 HA SER 5 HA SER 5 23.108 17.391 13.948 19 HB2 SER 5 1HB SER 5 24.971 15.930 13.187 20 HB3 SER 5 2HB SER 5 24.576 14.795 14.478 21 HG SER 5 HG SER 5 23.515 14.936 12.064 22 H SER 6 H SER 6 21.120 17.326 14.734 23 HA SER 6 HA SER 6 20.299 15.156 16.467 24 HB2 SER 6 1HB SER 6 21.131 16.912 18.036 25 HB3 SER 6 2HB SER 6 19.928 18.020 17.377 26 HG SER 6 HG SER 6 18.712 17.186 18.881 27 H GLY 7 H GLY 7 18.522 14.419 15.525 28 HA2 GLY 7 1HA GLY 7 16.870 16.213 13.925 29 HA3 GLY 7 2HA GLY 7 16.754 14.460 13.978 30 H GLU 8 H GLU 8 15.174 17.219 14.754 31 HA GLU 8 HA GLU 8 13.881 16.083 17.133 32 HB2 GLU 8 1HB GLU 8 14.220 18.851 16.078 33 HB3 GLU 8 2HB GLU 8 12.783 18.498 17.028 34 HG2 GLU 8 1HG GLU 8 14.662 19.428 18.344 35 HG3 GLU 8 2HG GLU 8 14.095 17.859 18.913 36 H PHE 9 H PHE 9 11.455 16.705 17.250 37 HA PHE 9 HA PHE 9 10.213 15.586 14.873 38 HB2 PHE 9 1HB PHE 9 9.117 16.227 17.617 39 HB3 PHE 9 2HB PHE 9 8.161 15.529 16.313 40 HD1 PHE 9 HD2 PHE 9 11.220 14.933 18.338 41 HD2 PHE 9 HD1 PHE 9 8.060 13.232 16.050 42 HE1 PHE 9 HE2 PHE 9 11.943 12.682 19.021 43 HE2 PHE 9 HE1 PHE 9 8.777 10.978 16.730 44 HZ PHE 9 HZ PHE 9 10.721 10.701 18.216 45 H ALA 10 H ALA 10 9.758 16.984 13.298 46 HA ALA 10 HA ALA 10 9.075 19.736 13.872 47 HB1 ALA 10 1HB ALA 10 10.422 19.566 11.991 48 HB2 ALA 10 2HB ALA 10 9.545 18.168 11.366 49 HB3 ALA 10 3HB ALA 10 8.810 19.771 11.303 50 H ILE 11 H ILE 11 7.079 20.324 14.379 51 HA ILE 11 HA ILE 11 4.810 18.873 14.485 52 HB ILE 11 HB ILE 11 4.978 21.782 13.689 53 HG12 ILE 11 1HG1 ILE 11 4.230 21.832 16.253 54 HG13 ILE 11 2HG1 ILE 11 5.098 20.301 16.271 55 HG21 ILE 11 1HG2 ILE 11 2.633 21.531 15.019 56 HG22 ILE 11 2HG2 ILE 11 2.788 21.508 13.263 57 HG23 ILE 11 3HG2 ILE 11 2.696 19.992 14.161 58 HD11 ILE 11 1HD1 ILE 11 6.637 22.314 14.920 59 HD12 ILE 11 2HD1 ILE 11 6.165 22.857 16.530 60 HD13 ILE 11 3HD1 ILE 11 7.046 21.342 16.334 61 H ASP 12 H ASP 12 3.446 17.917 13.123 62 HA ASP 12 HA ASP 12 3.864 17.456 10.485 63 HB2 ASP 12 1HB ASP 12 1.515 16.847 10.285 64 HB3 ASP 12 2HB ASP 12 2.139 16.320 11.846 65 HA PRO 13 HA PRO 13 3.207 21.229 8.312 66 HB2 PRO 13 1HB PRO 13 2.749 20.206 5.839 67 HB3 PRO 13 2HB PRO 13 4.354 20.250 6.579 68 HG2 PRO 13 1HG PRO 13 2.411 17.979 6.402 69 HG3 PRO 13 2HG PRO 13 4.167 17.972 6.152 70 HD2 PRO 13 1HD PRO 13 3.020 17.137 8.459 71 HD3 PRO 13 2HD PRO 13 4.615 17.916 8.412 72 H ASN 14 H ASN 14 0.817 19.140 9.160 73 HA ASN 14 HA ASN 14 -1.448 19.370 9.296 74 HB2 ASN 14 1HB ASN 14 -1.207 21.929 7.713 75 HB3 ASN 14 2HB ASN 14 -2.488 21.461 8.826 76 HD21 ASN 14 1HD2 ASN 14 -2.315 21.991 10.911 77 HD22 ASN 14 2HD2 ASN 14 -0.933 22.740 11.629 78 H GLU 15 H GLU 15 -0.216 17.898 7.212 79 HA GLU 15 HA GLU 15 -1.965 18.375 4.904 80 HB2 GLU 15 1HB GLU 15 0.669 17.041 5.280 81 HB3 GLU 15 2HB GLU 15 -0.387 16.415 4.021 82 HG2 GLU 15 1HG GLU 15 -0.555 18.905 3.296 83 HG3 GLU 15 2HG GLU 15 0.926 19.084 4.236 84 HA PRO 16 HA PRO 16 -4.548 14.942 5.806 85 HB2 PRO 16 1HB PRO 16 -5.199 14.121 3.302 86 HB3 PRO 16 2HB PRO 16 -5.836 15.604 4.022 87 HG2 PRO 16 1HG PRO 16 -3.575 15.255 2.091 88 HG3 PRO 16 2HG PRO 16 -4.864 16.474 2.097 89 HD2 PRO 16 1HD PRO 16 -2.366 16.991 3.006 90 HD3 PRO 16 2HD PRO 16 -3.810 17.763 3.691 91 H THR 17 H THR 17 -4.907 12.579 5.116 92 HA THR 17 HA THR 17 -2.386 11.278 4.362 93 HB THR 17 HB THR 17 -2.629 9.619 6.149 94 HG1 THR 17 HG1 THR 17 -4.356 9.576 7.394 95 HG21 THR 17 1HG2 THR 17 -2.220 12.490 6.685 96 HG22 THR 17 2HG2 THR 17 -1.166 11.113 7.009 97 HG23 THR 17 3HG2 THR 17 -2.497 11.483 8.106 98 H TYR 18 H TYR 18 -2.657 9.694 2.924 99 HA TYR 18 HA TYR 18 -5.385 8.663 2.505 100 HB2 TYR 18 1HB TYR 18 -3.135 8.863 0.493 101 HB3 TYR 18 2HB TYR 18 -4.769 8.295 0.170 102 HD1 TYR 18 HD2 TYR 18 -2.974 11.296 1.479 103 HD2 TYR 18 HD1 TYR 18 -6.322 9.791 -0.671 104 HE1 TYR 18 HE2 TYR 18 -3.663 13.598 0.953 105 HE2 TYR 18 HE1 TYR 18 -7.020 12.088 -1.204 106 HH TYR 18 HH TYR 18 -5.055 14.722 -0.906 107 H CYS 19 H CYS 19 -2.048 7.641 1.758 108 HA CYS 19 HA CYS 19 -2.336 4.977 1.502 109 HB2 CYS 19 1HB CYS 19 -0.184 6.451 1.581 110 HB3 CYS 19 2HB CYS 19 -0.123 5.964 3.272 111 H LEU 20 H LEU 20 -1.972 3.152 2.969 112 HA LEU 20 HA LEU 20 -3.766 3.191 5.145 113 HB2 LEU 20 1HB LEU 20 -1.606 1.163 4.607 114 HB3 LEU 20 2HB LEU 20 -3.071 0.927 5.558 115 HG LEU 20 HG LEU 20 -3.349 1.647 2.681 116 HD11 LEU 20 1HD1 LEU 20 -3.307 -0.851 2.213 117 HD12 LEU 20 2HD1 LEU 20 -2.428 -1.011 3.733 118 HD13 LEU 20 3HD1 LEU 20 -1.749 -0.050 2.419 119 HD21 LEU 20 1HD2 LEU 20 -5.255 1.402 4.320 120 HD22 LEU 20 2HD2 LEU 20 -4.876 -0.320 4.370 121 HD23 LEU 20 3HD2 LEU 20 -5.370 0.432 2.852 122 H CYS 21 H CYS 21 -0.344 3.748 4.896 123 HA CYS 21 HA CYS 21 0.183 3.451 7.706 124 HB2 CYS 21 1HB CYS 21 2.407 4.363 7.150 125 HB3 CYS 21 2HB CYS 21 1.956 3.037 6.083 126 H ASN 22 H ASN 22 -1.734 5.551 6.344 127 HA ASN 22 HA ASN 22 -2.370 7.723 6.669 128 HB2 ASN 22 1HB ASN 22 -2.223 8.451 9.079 129 HB3 ASN 22 2HB ASN 22 -2.990 6.887 8.824 130 HD21 ASN 22 1HD2 ASN 22 -2.253 5.206 9.926 131 HD22 ASN 22 2HD2 ASN 22 -0.779 5.165 10.827 132 H GLN 23 H GLN 23 -0.175 7.873 5.249 133 HA GLN 23 HA GLN 23 1.429 9.973 6.551 134 HB2 GLN 23 1HB GLN 23 2.288 7.694 4.802 135 HB3 GLN 23 2HB GLN 23 3.229 9.179 4.838 136 HG2 GLN 23 1HG GLN 23 2.520 7.666 7.329 137 HG3 GLN 23 2HG GLN 23 3.963 7.313 6.380 138 HE21 GLN 23 1HE2 GLN 23 5.740 8.419 6.817 139 HE22 GLN 23 2HE2 GLN 23 5.823 9.864 7.761 140 H VAL 24 H VAL 24 2.360 11.561 5.065 141 HA VAL 24 HA VAL 24 0.412 12.557 3.260 142 HB VAL 24 HB VAL 24 2.076 14.286 2.703 143 HG11 VAL 24 1HG1 VAL 24 1.055 15.123 4.517 144 HG12 VAL 24 2HG1 VAL 24 1.217 13.617 5.424 145 HG13 VAL 24 3HG1 VAL 24 2.568 14.749 5.341 146 HG21 VAL 24 1HG2 VAL 24 4.238 13.782 2.795 147 HG22 VAL 24 2HG2 VAL 24 4.122 13.799 4.554 148 HG23 VAL 24 3HG2 VAL 24 3.902 12.289 3.671 149 H SER 25 H SER 25 0.538 12.835 1.005 150 HA SER 25 HA SER 25 1.408 10.608 -0.448 151 HB2 SER 25 1HB SER 25 0.684 11.761 -2.398 152 HB3 SER 25 2HB SER 25 -0.382 12.302 -1.102 153 HG SER 25 HG SER 25 0.318 14.251 -1.409 154 H TYR 26 H TYR 26 3.355 10.024 -1.121 155 HA TYR 26 HA TYR 26 5.298 12.032 -1.930 156 HB2 TYR 26 1HB TYR 26 6.953 11.518 -0.400 157 HB3 TYR 26 2HB TYR 26 5.514 11.377 0.604 158 HD1 TYR 26 HD2 TYR 26 4.733 9.199 1.361 159 HD2 TYR 26 HD1 TYR 26 8.224 9.553 -1.046 160 HE1 TYR 26 HE2 TYR 26 5.360 6.894 1.942 161 HE2 TYR 26 HE1 TYR 26 8.860 7.248 -0.472 162 HH TYR 26 HH TYR 26 8.330 5.648 1.577 163 H GLY 27 H GLY 27 7.398 10.811 -2.662 164 HA2 GLY 27 1HA GLY 27 8.159 9.556 -4.456 165 HA3 GLY 27 2HA GLY 27 7.636 8.238 -3.418 166 H GLU 28 H GLU 28 7.020 6.890 -5.092 167 HA GLU 28 HA GLU 28 5.135 7.811 -7.082 168 HB2 GLU 28 1HB GLU 28 6.685 5.322 -6.588 169 HB3 GLU 28 2HB GLU 28 5.194 5.170 -7.507 170 HG2 GLU 28 1HG GLU 28 6.192 7.163 -8.877 171 HG3 GLU 28 2HG GLU 28 7.716 6.585 -8.205 172 H MET 29 H MET 29 2.982 7.443 -7.140 173 HA MET 29 HA MET 29 1.793 5.663 -5.143 174 HB2 MET 29 1HB MET 29 1.362 8.604 -5.392 175 HB3 MET 29 2HB MET 29 -0.017 7.595 -4.975 176 HG2 MET 29 1HG MET 29 1.271 6.691 -3.071 177 HG3 MET 29 2HG MET 29 2.576 7.806 -3.466 178 HE1 MET 29 1HE MET 29 -0.499 6.990 -1.865 179 HE2 MET 29 2HE MET 29 0.268 7.776 -0.485 180 HE3 MET 29 3HE MET 29 -1.204 8.456 -1.183 181 H ILE 30 H ILE 30 -0.131 4.715 -5.759 182 HA ILE 30 HA ILE 30 -0.968 5.243 -8.536 183 HB ILE 30 HB ILE 30 -1.570 2.952 -8.787 184 HG12 ILE 30 1HG1 ILE 30 -2.200 2.908 -6.191 185 HG13 ILE 30 2HG1 ILE 30 -1.882 1.435 -7.101 186 HG21 ILE 30 1HG2 ILE 30 0.561 1.844 -8.567 187 HG22 ILE 30 2HG2 ILE 30 0.821 3.522 -9.043 188 HG23 ILE 30 3HG2 ILE 30 1.090 3.027 -7.371 189 HD11 ILE 30 1HD1 ILE 30 0.443 1.479 -6.289 190 HD12 ILE 30 2HD1 ILE 30 0.048 2.896 -5.316 191 HD13 ILE 30 3HD1 ILE 30 -0.742 1.354 -4.989 192 H GLY 31 H GLY 31 -3.211 5.040 -9.037 193 HA2 GLY 31 1HA GLY 31 -4.916 5.738 -6.750 194 HA3 GLY 31 2HA GLY 31 -5.269 6.081 -8.437 195 H CYS 32 H CYS 32 -5.707 3.918 -5.841 196 HA CYS 32 HA CYS 32 -6.177 1.460 -6.729 197 HB2 CYS 32 1HB CYS 32 -6.810 2.190 -4.480 198 HB3 CYS 32 2HB CYS 32 -8.183 3.074 -5.139 199 H ASP 33 H ASP 33 -7.535 0.331 -8.040 200 HA ASP 33 HA ASP 33 -8.831 1.747 -10.144 201 HB2 ASP 33 1HB ASP 33 -8.483 -1.129 -9.409 202 HB3 ASP 33 2HB ASP 33 -9.709 -0.704 -10.601 203 H ASN 34 H ASN 34 -9.896 0.249 -7.172 204 HA ASN 34 HA ASN 34 -12.668 0.190 -7.781 205 HB2 ASN 34 1HB ASN 34 -11.606 -1.163 -5.982 206 HB3 ASN 34 2HB ASN 34 -11.350 0.316 -5.061 207 HD21 ASN 34 1HD2 ASN 34 -12.747 0.484 -3.478 208 HD22 ASN 34 2HD2 ASN 34 -14.418 0.049 -3.538 209 H GLU 35 H GLU 35 -13.575 2.063 -8.435 210 HA GLU 35 HA GLU 35 -12.964 4.639 -7.795 211 HB2 GLU 35 1HB GLU 35 -15.562 3.316 -8.481 212 HB3 GLU 35 2HB GLU 35 -15.540 5.024 -8.066 213 HG2 GLU 35 1HG GLU 35 -15.351 5.102 -10.346 214 HG3 GLU 35 2HG GLU 35 -13.660 5.160 -9.854 215 H GLN 36 H GLN 36 -15.582 2.826 -6.180 216 HA GLN 36 HA GLN 36 -16.379 4.459 -4.238 217 HB2 GLN 36 1HB GLN 36 -17.172 2.168 -4.387 218 HB3 GLN 36 2HB GLN 36 -15.616 1.562 -3.836 219 HG2 GLN 36 1HG GLN 36 -15.991 2.165 -1.662 220 HG3 GLN 36 2HG GLN 36 -17.107 3.458 -2.098 221 HE21 GLN 36 1HE2 GLN 36 -17.122 0.883 -0.368 222 HE22 GLN 36 2HE2 GLN 36 -18.656 0.182 -0.744 223 H CYS 37 H CYS 37 -13.343 2.628 -4.096 224 HA CYS 37 HA CYS 37 -12.388 3.111 -1.632 225 HB2 CYS 37 1HB CYS 37 -11.236 2.164 -3.825 226 HB3 CYS 37 2HB CYS 37 -10.524 3.774 -3.868 227 HA PRO 38 HA PRO 38 -12.803 7.600 -1.455 228 HB2 PRO 38 1HB PRO 38 -12.530 7.735 1.243 229 HB3 PRO 38 2HB PRO 38 -14.050 7.301 0.452 230 HG2 PRO 38 1HG PRO 38 -11.980 5.523 1.683 231 HG3 PRO 38 2HG PRO 38 -13.747 5.431 1.801 232 HD2 PRO 38 1HD PRO 38 -12.315 3.853 0.131 233 HD3 PRO 38 2HD PRO 38 -13.957 4.408 -0.253 234 H ILE 39 H ILE 39 -10.200 5.579 -1.081 235 HA ILE 39 HA ILE 39 -8.398 7.713 -0.173 236 HB ILE 39 HB ILE 39 -7.762 4.787 -0.557 237 HG12 ILE 39 1HG1 ILE 39 -8.234 6.220 2.058 238 HG13 ILE 39 2HG1 ILE 39 -9.495 5.320 1.223 239 HG21 ILE 39 1HG2 ILE 39 -5.817 5.374 0.914 240 HG22 ILE 39 2HG2 ILE 39 -5.780 6.096 -0.693 241 HG23 ILE 39 3HG2 ILE 39 -6.254 7.069 0.699 242 HD11 ILE 39 1HD1 ILE 39 -8.365 4.069 3.044 243 HD12 ILE 39 2HD1 ILE 39 -8.288 3.277 1.469 244 HD13 ILE 39 3HD1 ILE 39 -6.878 4.129 2.098 245 H GLU 40 H GLU 40 -8.676 5.238 -2.718 246 HA GLU 40 HA GLU 40 -7.507 5.029 -4.700 247 HB2 GLU 40 1HB GLU 40 -8.722 7.789 -4.779 248 HB3 GLU 40 2HB GLU 40 -7.981 7.034 -6.184 249 HG2 GLU 40 1HG GLU 40 -10.066 5.508 -4.731 250 HG3 GLU 40 2HG GLU 40 -10.574 6.885 -5.708 251 H TRP 41 H TRP 41 -5.728 5.721 -2.627 252 HA TRP 41 HA TRP 41 -3.571 6.792 -4.180 253 HB2 TRP 41 1HB TRP 41 -4.623 8.379 -1.831 254 HB3 TRP 41 2HB TRP 41 -3.044 8.637 -2.567 255 HD1 TRP 41 HD1 TRP 41 -6.393 10.004 -2.679 256 HE1 TRP 41 HE1 TRP 41 -6.812 11.321 -4.851 257 HE3 TRP 41 HE3 TRP 41 -2.416 8.332 -5.423 258 HZ2 TRP 41 HZ2 TRP 41 -5.615 11.612 -7.391 259 HZ3 TRP 41 HZ3 TRP 41 -2.125 9.178 -7.715 260 HH2 TRP 41 HH2 TRP 41 -3.693 10.784 -8.677 261 H PHE 42 H PHE 42 -2.021 5.388 -3.711 262 HA PHE 42 HA PHE 42 -1.338 4.895 -0.922 263 HB2 PHE 42 1HB PHE 42 -1.831 2.638 -2.876 264 HB3 PHE 42 2HB PHE 42 -1.244 2.466 -1.226 265 HD1 PHE 42 HD2 PHE 42 -2.739 2.899 0.673 266 HD2 PHE 42 HD1 PHE 42 -4.139 2.995 -3.345 267 HE1 PHE 42 HE2 PHE 42 -5.057 2.737 1.481 268 HE2 PHE 42 HE1 PHE 42 -6.460 2.833 -2.544 269 HZ PHE 42 HZ PHE 42 -6.921 2.703 -0.128 270 H HIS 43 H HIS 43 0.799 4.036 -0.633 271 HA HIS 43 HA HIS 43 2.635 5.011 -2.625 272 HB2 HIS 43 1HB HIS 43 3.244 3.536 -0.056 273 HB3 HIS 43 2HB HIS 43 4.371 4.492 -1.013 274 HD2 HIS 43 HD2 HIS 43 2.258 7.115 -1.296 275 HE1 HIS 43 HE1 HIS 43 2.740 7.206 2.918 276 HE2 HIS 43 HE2 HIS 43 1.933 8.461 0.889 277 H PHE 44 H PHE 44 4.597 3.615 -3.165 278 HA PHE 44 HA PHE 44 3.617 1.182 -4.378 279 HB2 PHE 44 1HB PHE 44 6.116 2.812 -4.593 280 HB3 PHE 44 2HB PHE 44 6.137 1.142 -5.148 281 HD1 PHE 44 HD2 PHE 44 3.512 3.776 -5.368 282 HD2 PHE 44 HD1 PHE 44 6.161 1.175 -7.450 283 HE1 PHE 44 HE2 PHE 44 2.518 4.480 -7.506 284 HE2 PHE 44 HE1 PHE 44 5.173 1.876 -9.591 285 HZ PHE 44 HZ PHE 44 3.348 3.530 -9.621 286 H SER 45 H SER 45 6.539 1.905 -2.461 287 HA SER 45 HA SER 45 7.333 -0.636 -1.863 288 HB2 SER 45 1HB SER 45 8.346 1.670 -1.177 289 HB3 SER 45 2HB SER 45 7.404 1.450 0.298 290 HG SER 45 HG SER 45 8.497 -0.750 0.248 291 H CYS 46 H CYS 46 4.908 1.283 -0.128 292 HA CYS 46 HA CYS 46 4.384 -0.501 1.950 293 HB2 CYS 46 1HB CYS 46 2.867 1.699 0.630 294 HB3 CYS 46 2HB CYS 46 1.978 0.613 1.693 295 H VAL 47 H VAL 47 2.966 -0.292 -1.289 296 HA VAL 47 HA VAL 47 1.362 -2.677 -0.791 297 HB VAL 47 HB VAL 47 0.335 -2.266 -2.941 298 HG11 VAL 47 1HG1 VAL 47 -0.140 -0.829 -0.801 299 HG12 VAL 47 2HG1 VAL 47 0.509 0.479 -1.792 300 HG13 VAL 47 3HG1 VAL 47 -0.901 -0.428 -2.340 301 HG21 VAL 47 1HG2 VAL 47 2.428 -0.119 -3.243 302 HG22 VAL 47 2HG2 VAL 47 2.217 -1.557 -4.242 303 HG23 VAL 47 3HG2 VAL 47 1.011 -0.271 -4.282 304 H SER 48 H SER 48 4.367 -2.640 -1.058 305 HA SER 48 HA SER 48 6.044 -3.803 -2.086 306 HB2 SER 48 1HB SER 48 4.677 -5.613 -1.023 307 HB3 SER 48 2HB SER 48 3.847 -5.830 -2.564 308 HG SER 48 HG SER 48 6.215 -6.013 -3.325 309 H LEU 49 H LEU 49 5.112 -1.908 -3.779 310 HA LEU 49 HA LEU 49 4.880 -3.265 -6.381 311 HB2 LEU 49 1HB LEU 49 3.803 -0.736 -5.292 312 HB3 LEU 49 2HB LEU 49 4.319 -0.710 -6.978 313 HG LEU 49 HG LEU 49 2.330 -2.688 -5.874 314 HD11 LEU 49 1HD1 LEU 49 1.898 0.010 -6.070 315 HD12 LEU 49 2HD1 LEU 49 0.653 -1.237 -6.130 316 HD13 LEU 49 3HD1 LEU 49 1.323 -0.587 -7.627 317 HD21 LEU 49 1HD2 LEU 49 3.769 -2.834 -8.156 318 HD22 LEU 49 2HD2 LEU 49 2.367 -1.921 -8.716 319 HD23 LEU 49 3HD2 LEU 49 2.148 -3.502 -7.965 320 H THR 50 H THR 50 6.451 -3.047 -7.855 321 HA THR 50 HA THR 50 8.815 -1.511 -7.109 322 HB THR 50 HB THR 50 8.431 -3.441 -9.407 323 HG1 THR 50 HG1 THR 50 9.252 -3.750 -6.732 324 HG21 THR 50 1HG2 THR 50 10.452 -2.830 -10.118 325 HG22 THR 50 2HG2 THR 50 11.137 -3.133 -8.521 326 HG23 THR 50 3HG2 THR 50 10.464 -1.549 -8.906 327 H TYR 51 H TYR 51 6.387 -1.683 -9.656 328 HA TYR 51 HA TYR 51 6.998 1.037 -10.433 329 HB2 TYR 51 1HB TYR 51 7.094 0.315 -12.894 330 HB3 TYR 51 2HB TYR 51 8.531 0.044 -11.916 331 HD1 TYR 51 HD2 TYR 51 5.358 -1.827 -12.592 332 HD2 TYR 51 HD1 TYR 51 9.607 -1.930 -12.397 333 HE1 TYR 51 HE2 TYR 51 5.323 -4.207 -13.210 334 HE2 TYR 51 HE1 TYR 51 9.584 -4.310 -13.016 335 HH TYR 51 HH TYR 51 6.866 -5.858 -14.261 336 H LYS 52 H LYS 52 5.422 1.858 -12.054 337 HA LYS 52 HA LYS 52 2.805 1.433 -11.270 338 HB2 LYS 52 1HB LYS 52 3.939 3.290 -12.772 339 HB3 LYS 52 2HB LYS 52 3.348 2.279 -14.084 340 HG2 LYS 52 1HG LYS 52 1.608 3.354 -11.877 341 HG3 LYS 52 2HG LYS 52 1.828 4.142 -13.441 342 HD2 LYS 52 1HD LYS 52 0.876 2.262 -14.588 343 HD3 LYS 52 2HD LYS 52 0.828 1.317 -13.098 344 HE2 LYS 52 1HE LYS 52 -1.368 2.063 -13.366 345 HE3 LYS 52 2HE LYS 52 -0.678 3.184 -12.193 346 HZ1 LYS 52 1HZ LYS 52 -1.688 4.616 -13.637 347 HZ2 LYS 52 2HZ LYS 52 -1.410 3.648 -14.996 348 HZ3 LYS 52 3HZ LYS 52 -0.145 4.551 -14.329 349 HA PRO 53 HA PRO 53 2.113 -2.563 -13.168 350 HB2 PRO 53 1HB PRO 53 -0.371 -2.901 -12.127 351 HB3 PRO 53 2HB PRO 53 1.106 -3.170 -11.194 352 HG2 PRO 53 1HG PRO 53 -0.702 -0.784 -11.231 353 HG3 PRO 53 2HG PRO 53 0.058 -1.591 -9.847 354 HD2 PRO 53 1HD PRO 53 1.040 0.693 -10.922 355 HD3 PRO 53 2HD PRO 53 2.082 -0.542 -10.187 356 H LYS 54 H LYS 54 1.629 -2.652 -15.265 357 HA LYS 54 HA LYS 54 -0.231 -0.840 -16.488 358 HB2 LYS 54 1HB LYS 54 1.433 -3.131 -17.511 359 HB3 LYS 54 2HB LYS 54 0.268 -2.307 -18.540 360 HG2 LYS 54 1HG LYS 54 2.263 -1.237 -19.023 361 HG3 LYS 54 2HG LYS 54 1.501 -0.157 -17.853 362 HD2 LYS 54 1HD LYS 54 2.841 -1.271 -16.065 363 HD3 LYS 54 2HD LYS 54 3.688 -2.167 -17.327 364 HE2 LYS 54 1HE LYS 54 3.568 0.841 -17.149 365 HE3 LYS 54 2HE LYS 54 4.900 -0.143 -16.542 366 HZ1 LYS 54 1HZ LYS 54 4.515 0.810 -19.132 367 HZ2 LYS 54 2HZ LYS 54 4.365 -0.873 -19.200 368 HZ3 LYS 54 3HZ LYS 54 5.767 -0.174 -18.562 369 H GLY 55 H GLY 55 -2.341 -1.129 -16.800 370 HA2 GLY 55 1HA GLY 55 -4.050 -2.713 -17.676 371 HA3 GLY 55 2HA GLY 55 -3.410 -3.871 -16.519 372 H LYS 56 H LYS 56 -4.084 -3.816 -14.420 373 HA LYS 56 HA LYS 56 -5.717 -1.585 -13.501 374 HB2 LYS 56 1HB LYS 56 -6.758 -4.422 -13.458 375 HB3 LYS 56 2HB LYS 56 -7.587 -2.992 -12.857 376 HG2 LYS 56 1HG LYS 56 -6.782 -3.264 -15.733 377 HG3 LYS 56 2HG LYS 56 -8.307 -3.905 -15.118 378 HD2 LYS 56 1HD LYS 56 -7.578 -1.073 -14.527 379 HD3 LYS 56 2HD LYS 56 -8.177 -1.487 -16.135 380 HE2 LYS 56 1HE LYS 56 -10.106 -2.642 -14.927 381 HE3 LYS 56 2HE LYS 56 -9.561 -1.788 -13.484 382 HZ1 LYS 56 1HZ LYS 56 -10.242 0.201 -14.289 383 HZ2 LYS 56 2HZ LYS 56 -11.345 -0.775 -15.122 384 HZ3 LYS 56 3HZ LYS 56 -9.957 -0.207 -15.906 385 H TRP 57 H TRP 57 -5.494 -1.206 -11.368 386 HA TRP 57 HA TRP 57 -4.221 -3.290 -9.724 387 HB2 TRP 57 1HB TRP 57 -2.565 -1.565 -10.380 388 HB3 TRP 57 2HB TRP 57 -3.581 -0.334 -9.636 389 HD1 TRP 57 HD1 TRP 57 -1.165 -3.152 -8.763 390 HE1 TRP 57 HE1 TRP 57 -0.539 -2.968 -6.273 391 HE3 TRP 57 HE3 TRP 57 -4.472 0.486 -7.363 392 HZ2 TRP 57 HZ2 TRP 57 -1.342 -1.477 -4.014 393 HZ3 TRP 57 HZ3 TRP 57 -4.479 1.235 -5.019 394 HH2 TRP 57 HH2 TRP 57 -2.946 0.272 -3.381 395 H TYR 58 H TYR 58 -5.066 -3.595 -7.735 396 HA TYR 58 HA TYR 58 -7.043 -1.645 -6.762 397 HB2 TYR 58 1HB TYR 58 -7.332 -4.648 -6.906 398 HB3 TYR 58 2HB TYR 58 -8.368 -3.628 -5.913 399 HD1 TYR 58 HD1 TYR 58 -7.355 -4.365 -9.394 400 HD2 TYR 58 HD2 TYR 58 -10.170 -2.419 -6.867 401 HE1 TYR 58 HE1 TYR 58 -8.817 -3.975 -11.333 402 HE2 TYR 58 HE2 TYR 58 -11.641 -2.025 -8.798 403 HH TYR 58 HH TYR 58 -10.611 -2.739 -12.068 404 H CYS 59 H CYS 59 -6.730 -1.025 -4.727 405 HA CYS 59 HA CYS 59 -4.519 -1.657 -3.219 406 HB2 CYS 59 1HB CYS 59 -5.470 -0.415 -1.478 407 HB3 CYS 59 2HB CYS 59 -6.250 0.237 -2.915 408 HA PRO 60 HA PRO 60 -5.177 -5.568 -1.338 409 HB2 PRO 60 1HB PRO 60 -3.966 -5.211 1.065 410 HB3 PRO 60 2HB PRO 60 -3.068 -5.363 -0.450 411 HG2 PRO 60 1HG PRO 60 -3.808 -2.895 1.074 412 HG3 PRO 60 2HG PRO 60 -2.272 -3.306 0.288 413 HD2 PRO 60 1HD PRO 60 -4.089 -1.648 -0.843 414 HD3 PRO 60 2HD PRO 60 -3.037 -2.708 -1.802 415 H LYS 61 H LYS 61 -6.699 -2.796 -0.237 416 HA LYS 61 HA LYS 61 -8.034 -4.102 2.007 417 HB2 LYS 61 1HB LYS 61 -7.732 -1.307 1.056 418 HB3 LYS 61 2HB LYS 61 -9.230 -1.700 1.889 419 HG2 LYS 61 1HG LYS 61 -7.486 -2.789 3.601 420 HG3 LYS 61 2HG LYS 61 -6.473 -1.511 2.924 421 HD2 LYS 61 1HD LYS 61 -9.215 -1.112 4.121 422 HD3 LYS 61 2HD LYS 61 -7.688 -0.784 4.943 423 HE2 LYS 61 1HE LYS 61 -7.171 0.994 3.504 424 HE3 LYS 61 2HE LYS 61 -8.367 0.491 2.311 425 HZ1 LYS 61 1HZ LYS 61 -10.067 1.408 3.491 426 HZ2 LYS 61 2HZ LYS 61 -8.829 2.467 3.944 427 HZ3 LYS 61 3HZ LYS 61 -9.302 1.224 4.989 428 H CYS 62 H CYS 62 -8.531 -3.341 -1.310 429 HA CYS 62 HA CYS 62 -11.421 -3.735 -1.117 430 HB2 CYS 62 1HB CYS 62 -9.627 -2.925 -3.410 431 HB3 CYS 62 2HB CYS 62 -11.355 -3.213 -3.585 432 H ARG 63 H ARG 63 -8.676 -5.057 -2.969 433 HA ARG 63 HA ARG 63 -10.019 -7.180 -4.163 434 HB2 ARG 63 1HB ARG 63 -7.868 -8.142 -4.589 435 HB3 ARG 63 2HB ARG 63 -7.705 -6.395 -4.710 436 HG2 ARG 63 1HG ARG 63 -6.534 -6.244 -2.699 437 HG3 ARG 63 2HG ARG 63 -7.061 -7.843 -2.169 438 HD2 ARG 63 1HD ARG 63 -5.379 -7.508 -4.627 439 HD3 ARG 63 2HD ARG 63 -4.643 -7.544 -3.025 440 HE ARG 63 HE ARG 63 -6.138 -9.760 -2.982 441 HH11 ARG 63 1HH1 ARG 63 -3.931 -8.515 -5.369 442 HH12 ARG 63 2HH1 ARG 63 -3.470 -10.081 -5.949 443 HH21 ARG 63 1HH2 ARG 63 -5.540 -11.827 -3.737 444 HH22 ARG 63 2HH2 ARG 63 -4.387 -11.964 -5.021 445 H GLY 64 H GLY 64 -8.795 -6.822 -0.918 446 HA2 GLY 64 1HA GLY 64 -9.338 -9.651 -0.345 447 HA3 GLY 64 2HA GLY 64 -8.449 -8.545 0.692 448 H ASP 65 H ASP 65 -10.848 -10.334 1.109 449 HA ASP 65 HA ASP 65 -12.940 -8.421 1.758 450 HB2 ASP 65 1HB ASP 65 -12.844 -11.418 2.169 451 HB3 ASP 65 2HB ASP 65 -14.258 -10.391 2.391 452 H SER 66 H SER 66 -12.388 -7.219 3.496 453 HA SER 66 HA SER 66 -11.757 -8.678 5.977 454 HB2 SER 66 1HB SER 66 -9.823 -7.350 4.993 455 HB3 SER 66 2HB SER 66 -10.759 -5.897 5.345 456 HG SER 66 HG SER 66 -9.529 -7.699 7.093 457 H GLY 67 H GLY 67 -12.691 -7.918 7.881 458 HA2 GLY 67 1HA GLY 67 -14.456 -5.604 7.761 459 HA3 GLY 67 2HA GLY 67 -15.239 -7.158 8.009 460 HA PRO 68 HA PRO 68 -14.448 -7.068 12.316 461 HB2 PRO 68 1HB PRO 68 -13.466 -9.533 12.892 462 HB3 PRO 68 2HB PRO 68 -15.155 -9.250 12.453 463 HG2 PRO 68 1HG PRO 68 -12.894 -10.227 10.752 464 HG3 PRO 68 2HG PRO 68 -14.569 -10.805 10.827 465 HD2 PRO 68 1HD PRO 68 -13.684 -9.154 8.872 466 HD3 PRO 68 2HD PRO 68 -15.350 -9.103 9.484 467 H SER 69 H SER 69 -12.765 -5.472 12.262 468 HA SER 69 HA SER 69 -10.021 -6.497 12.374 469 HB2 SER 69 1HB SER 69 -11.244 -3.854 11.750 470 HB3 SER 69 2HB SER 69 -9.650 -3.852 12.503 471 HG SER 69 HG SER 69 -9.920 -5.644 10.438 472 H SER 70 H SER 70 -9.116 -6.861 14.276 473 HA SER 70 HA SER 70 -10.333 -6.382 16.736 474 HB2 SER 70 1HB SER 70 -7.528 -7.065 15.916 475 HB3 SER 70 2HB SER 70 -7.887 -6.707 17.605 476 HG SER 70 HG SER 70 -8.170 -8.874 17.379 477 H GLY 71 H GLY 71 -7.832 -4.529 15.037 478 HA2 GLY 71 1HA GLY 71 -7.758 -2.533 17.147 479 HA3 GLY 71 2HA GLY 71 -6.798 -2.534 15.675 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 27.177 21.102 -3.732 2 HA2 GLY 1 1HA GLY 1 24.922 21.436 -3.200 3 HA3 GLY 1 2HA GLY 1 25.409 22.094 -1.645 4 H SER 2 H SER 2 23.630 23.006 -3.984 5 HA SER 2 HA SER 2 24.901 25.506 -4.738 6 HB2 SER 2 1HB SER 2 23.665 24.518 -6.501 7 HB3 SER 2 2HB SER 2 22.277 24.204 -5.459 8 HG SER 2 HG SER 2 21.820 25.997 -6.700 9 H SER 3 H SER 3 21.952 24.494 -3.018 10 HA SER 3 HA SER 3 22.183 26.790 -1.261 11 HB2 SER 3 1HB SER 3 19.867 27.552 -1.691 12 HB3 SER 3 2HB SER 3 20.892 27.724 -3.115 13 HG SER 3 HG SER 3 19.674 26.351 -4.135 14 H GLY 4 H GLY 4 21.329 26.423 0.732 15 HA2 GLY 4 1HA GLY 4 19.251 24.628 1.331 16 HA3 GLY 4 2HA GLY 4 20.782 23.785 1.523 17 H SER 5 H SER 5 18.942 24.268 3.613 18 HA SER 5 HA SER 5 20.686 25.733 5.425 19 HB2 SER 5 1HB SER 5 18.722 27.197 4.409 20 HB3 SER 5 2HB SER 5 17.772 26.361 5.638 21 HG SER 5 HG SER 5 19.103 27.195 7.213 22 H SER 6 H SER 6 19.896 25.490 7.735 23 HA SER 6 HA SER 6 19.833 22.890 8.525 24 HB2 SER 6 1HB SER 6 18.631 25.313 9.870 25 HB3 SER 6 2HB SER 6 18.722 23.736 10.654 26 HG SER 6 HG SER 6 20.904 23.853 10.665 27 H GLY 7 H GLY 7 18.499 21.319 7.917 28 HA2 GLY 7 1HA GLY 7 15.614 21.930 7.744 29 HA3 GLY 7 2HA GLY 7 16.424 20.710 6.772 30 H GLU 8 H GLU 8 14.164 20.744 8.861 31 HA GLU 8 HA GLU 8 15.238 18.575 10.542 32 HB2 GLU 8 1HB GLU 8 13.394 19.136 12.128 33 HB3 GLU 8 2HB GLU 8 14.579 20.419 11.931 34 HG2 GLU 8 1HG GLU 8 13.015 21.479 10.285 35 HG3 GLU 8 2HG GLU 8 11.814 20.281 10.764 36 H PHE 9 H PHE 9 13.674 16.882 11.131 37 HA PHE 9 HA PHE 9 11.661 16.452 9.023 38 HB2 PHE 9 1HB PHE 9 13.655 15.025 8.680 39 HB3 PHE 9 2HB PHE 9 13.423 14.342 10.286 40 HD1 PHE 9 HD1 PHE 9 11.018 13.335 10.703 41 HD2 PHE 9 HD2 PHE 9 12.803 13.890 6.879 42 HE1 PHE 9 HE1 PHE 9 9.522 11.624 9.760 43 HE2 PHE 9 HE2 PHE 9 11.310 12.180 5.930 44 HZ PHE 9 HZ PHE 9 9.666 11.045 7.371 45 H ALA 10 H ALA 10 9.713 16.548 9.914 46 HA ALA 10 HA ALA 10 9.166 14.972 12.307 47 HB1 ALA 10 1HB ALA 10 8.782 17.940 12.111 48 HB2 ALA 10 2HB ALA 10 7.803 16.954 13.198 49 HB3 ALA 10 3HB ALA 10 9.555 17.002 13.390 50 H ILE 11 H ILE 11 7.050 14.254 12.466 51 HA ILE 11 HA ILE 11 5.538 14.360 9.995 52 HB ILE 11 HB ILE 11 5.059 12.821 12.549 53 HG12 ILE 11 1HG1 ILE 11 5.510 10.962 10.654 54 HG13 ILE 11 2HG1 ILE 11 6.481 12.276 10.001 55 HG21 ILE 11 1HG2 ILE 11 3.271 11.697 11.480 56 HG22 ILE 11 2HG2 ILE 11 2.991 13.419 11.233 57 HG23 ILE 11 3HG2 ILE 11 3.643 12.436 9.923 58 HD11 ILE 11 1HD1 ILE 11 7.929 10.977 11.317 59 HD12 ILE 11 2HD1 ILE 11 7.573 12.417 12.273 60 HD13 ILE 11 3HD1 ILE 11 6.771 10.891 12.645 61 H ASP 12 H ASP 12 4.035 15.839 9.637 62 HA ASP 12 HA ASP 12 2.743 17.141 11.933 63 HB2 ASP 12 1HB ASP 12 2.722 18.100 9.070 64 HB3 ASP 12 2HB ASP 12 2.309 19.015 10.518 65 HA PRO 13 HA PRO 13 -0.894 14.800 10.879 66 HB2 PRO 13 1HB PRO 13 -2.500 15.914 12.763 67 HB3 PRO 13 2HB PRO 13 -1.284 14.687 13.140 68 HG2 PRO 13 1HG PRO 13 -1.133 17.661 13.448 69 HG3 PRO 13 2HG PRO 13 -0.595 16.392 14.563 70 HD2 PRO 13 1HD PRO 13 1.113 17.722 12.936 71 HD3 PRO 13 2HD PRO 13 1.363 16.027 13.403 72 H ASN 14 H ASN 14 -0.544 18.247 10.868 73 HA ASN 14 HA ASN 14 -2.949 19.286 10.231 74 HB2 ASN 14 1HB ASN 14 -0.306 19.843 8.872 75 HB3 ASN 14 2HB ASN 14 -1.742 20.841 8.661 76 HD21 ASN 14 1HD2 ASN 14 -2.788 21.301 10.955 77 HD22 ASN 14 2HD2 ASN 14 -1.676 21.966 12.097 78 H GLU 15 H GLU 15 -0.781 17.769 7.840 79 HA GLU 15 HA GLU 15 -2.757 17.850 5.771 80 HB2 GLU 15 1HB GLU 15 -0.011 16.699 6.050 81 HB3 GLU 15 2HB GLU 15 -1.029 16.161 4.722 82 HG2 GLU 15 1HG GLU 15 -0.671 19.080 5.192 83 HG3 GLU 15 2HG GLU 15 0.617 18.160 4.416 84 HA PRO 16 HA PRO 16 -4.974 14.160 6.674 85 HB2 PRO 16 1HB PRO 16 -5.863 13.552 4.182 86 HB3 PRO 16 2HB PRO 16 -6.519 14.888 5.137 87 HG2 PRO 16 1HG PRO 16 -4.492 14.950 2.935 88 HG3 PRO 16 2HG PRO 16 -5.860 16.040 3.227 89 HD2 PRO 16 1HD PRO 16 -3.317 16.681 3.900 90 HD3 PRO 16 2HD PRO 16 -4.722 17.243 4.829 91 H THR 17 H THR 17 -5.269 11.872 5.631 92 HA THR 17 HA THR 17 -2.723 10.893 4.548 93 HB THR 17 HB THR 17 -2.594 9.070 6.096 94 HG1 THR 17 HG1 THR 17 -4.172 8.773 7.705 95 HG21 THR 17 1HG2 THR 17 -3.233 11.235 8.023 96 HG22 THR 17 2HG2 THR 17 -2.018 11.580 6.793 97 HG23 THR 17 3HG2 THR 17 -1.796 10.222 7.895 98 H TYR 18 H TYR 18 -2.864 8.829 3.495 99 HA TYR 18 HA TYR 18 -5.595 7.962 2.841 100 HB2 TYR 18 1HB TYR 18 -3.366 8.372 0.837 101 HB3 TYR 18 2HB TYR 18 -4.959 7.716 0.480 102 HD1 TYR 18 HD2 TYR 18 -3.270 10.764 1.794 103 HD2 TYR 18 HD1 TYR 18 -6.699 9.143 -0.135 104 HE1 TYR 18 HE2 TYR 18 -4.108 13.039 1.382 105 HE2 TYR 18 HE1 TYR 18 -7.546 11.414 -0.552 106 HH TYR 18 HH TYR 18 -7.152 13.589 -0.365 107 H CYS 19 H CYS 19 -2.221 7.088 2.066 108 HA CYS 19 HA CYS 19 -2.466 4.419 1.666 109 HB2 CYS 19 1HB CYS 19 -0.350 5.914 1.694 110 HB3 CYS 19 2HB CYS 19 -0.221 5.442 3.385 111 H LEU 20 H LEU 20 -1.823 2.581 3.117 112 HA LEU 20 HA LEU 20 -3.614 2.429 5.305 113 HB2 LEU 20 1HB LEU 20 -1.314 0.565 4.783 114 HB3 LEU 20 2HB LEU 20 -2.829 0.212 5.611 115 HG LEU 20 HG LEU 20 -2.938 1.013 2.745 116 HD11 LEU 20 1HD1 LEU 20 -1.232 -0.569 2.522 117 HD12 LEU 20 2HD1 LEU 20 -2.713 -1.478 2.226 118 HD13 LEU 20 3HD1 LEU 20 -1.900 -1.602 3.786 119 HD21 LEU 20 1HD2 LEU 20 -4.892 0.495 4.379 120 HD22 LEU 20 2HD2 LEU 20 -4.454 -1.188 4.085 121 HD23 LEU 20 3HD2 LEU 20 -4.932 -0.153 2.739 122 H CYS 21 H CYS 21 -0.180 3.072 5.035 123 HA CYS 21 HA CYS 21 0.384 2.811 7.823 124 HB2 CYS 21 1HB CYS 21 2.535 3.880 7.259 125 HB3 CYS 21 2HB CYS 21 2.154 2.553 6.167 126 H ASN 22 H ASN 22 -1.567 4.920 6.356 127 HA ASN 22 HA ASN 22 -2.357 7.013 6.788 128 HB2 ASN 22 1HB ASN 22 -1.261 6.320 9.522 129 HB3 ASN 22 2HB ASN 22 -2.330 7.681 9.194 130 HD21 ASN 22 1HD2 ASN 22 -2.071 4.255 9.526 131 HD22 ASN 22 2HD2 ASN 22 -3.764 3.911 9.495 132 H GLN 23 H GLN 23 -0.131 7.281 5.405 133 HA GLN 23 HA GLN 23 1.338 9.441 6.766 134 HB2 GLN 23 1HB GLN 23 2.339 7.249 4.978 135 HB3 GLN 23 2HB GLN 23 3.206 8.776 5.080 136 HG2 GLN 23 1HG GLN 23 2.515 7.158 7.510 137 HG3 GLN 23 2HG GLN 23 3.991 6.895 6.583 138 HE21 GLN 23 1HE2 GLN 23 4.016 7.617 9.255 139 HE22 GLN 23 2HE2 GLN 23 4.672 9.209 9.402 140 H VAL 24 H VAL 24 2.101 11.163 5.401 141 HA VAL 24 HA VAL 24 0.164 12.036 3.534 142 HB VAL 24 HB VAL 24 1.828 13.864 3.035 143 HG11 VAL 24 1HG1 VAL 24 1.754 14.001 5.922 144 HG12 VAL 24 2HG1 VAL 24 0.889 14.967 4.725 145 HG13 VAL 24 3HG1 VAL 24 0.225 13.423 5.262 146 HG21 VAL 24 1HG2 VAL 24 3.675 12.085 3.983 147 HG22 VAL 24 2HG2 VAL 24 3.942 13.817 3.779 148 HG23 VAL 24 3HG2 VAL 24 3.472 13.177 5.353 149 H SER 25 H SER 25 0.118 12.025 1.344 150 HA SER 25 HA SER 25 1.268 10.050 -0.140 151 HB2 SER 25 1HB SER 25 -0.454 11.153 -1.240 152 HB3 SER 25 2HB SER 25 0.196 12.751 -0.874 153 HG SER 25 HG SER 25 0.537 11.307 -3.073 154 H TYR 26 H TYR 26 3.134 9.703 -1.235 155 HA TYR 26 HA TYR 26 5.038 11.789 -1.741 156 HB2 TYR 26 1HB TYR 26 6.752 11.184 -0.263 157 HB3 TYR 26 2HB TYR 26 5.306 11.126 0.739 158 HD1 TYR 26 HD1 TYR 26 7.753 9.051 -1.100 159 HD2 TYR 26 HD2 TYR 26 4.602 9.101 1.758 160 HE1 TYR 26 HE1 TYR 26 8.281 6.728 -0.487 161 HE2 TYR 26 HE2 TYR 26 5.122 6.779 2.381 162 HH TYR 26 HH TYR 26 7.623 5.309 2.081 163 H GLY 27 H GLY 27 7.159 10.771 -2.586 164 HA2 GLY 27 1HA GLY 27 8.018 9.617 -4.393 165 HA3 GLY 27 2HA GLY 27 7.531 8.222 -3.442 166 H GLU 28 H GLU 28 6.744 6.844 -4.923 167 HA GLU 28 HA GLU 28 4.929 7.835 -6.985 168 HB2 GLU 28 1HB GLU 28 6.574 5.386 -6.616 169 HB3 GLU 28 2HB GLU 28 5.091 5.226 -7.546 170 HG2 GLU 28 1HG GLU 28 6.024 7.334 -8.798 171 HG3 GLU 28 2HG GLU 28 7.564 6.753 -8.167 172 H MET 29 H MET 29 2.790 7.557 -6.926 173 HA MET 29 HA MET 29 1.670 5.572 -5.074 174 HB2 MET 29 1HB MET 29 1.205 8.506 -5.123 175 HB3 MET 29 2HB MET 29 -0.194 7.480 -4.838 176 HG2 MET 29 1HG MET 29 1.057 6.404 -2.977 177 HG3 MET 29 2HG MET 29 2.334 7.594 -3.215 178 HE1 MET 29 1HE MET 29 0.148 7.239 -0.286 179 HE2 MET 29 2HE MET 29 -1.400 7.882 -0.836 180 HE3 MET 29 3HE MET 29 -0.666 6.514 -1.673 181 H ILE 30 H ILE 30 -0.154 4.536 -5.773 182 HA ILE 30 HA ILE 30 -0.989 5.140 -8.528 183 HB ILE 30 HB ILE 30 -1.508 2.898 -8.859 184 HG12 ILE 30 1HG1 ILE 30 -2.891 2.572 -6.871 185 HG13 ILE 30 2HG1 ILE 30 -1.745 1.246 -7.041 186 HG21 ILE 30 1HG2 ILE 30 0.883 3.181 -8.733 187 HG22 ILE 30 2HG2 ILE 30 0.852 2.950 -6.986 188 HG23 ILE 30 3HG2 ILE 30 0.447 1.611 -8.058 189 HD11 ILE 30 1HD1 ILE 30 -0.285 2.436 -5.386 190 HD12 ILE 30 2HD1 ILE 30 -1.631 3.542 -5.111 191 HD13 ILE 30 3HD1 ILE 30 -1.813 1.825 -4.753 192 H GLY 31 H GLY 31 -3.269 4.783 -9.068 193 HA2 GLY 31 1HA GLY 31 -5.005 5.565 -6.811 194 HA3 GLY 31 2HA GLY 31 -5.269 6.044 -8.481 195 H CYS 32 H CYS 32 -5.901 3.713 -6.072 196 HA CYS 32 HA CYS 32 -6.459 1.371 -7.270 197 HB2 CYS 32 1HB CYS 32 -6.952 1.910 -4.895 198 HB3 CYS 32 2HB CYS 32 -8.387 2.786 -5.417 199 H ASP 33 H ASP 33 -7.994 0.468 -8.588 200 HA ASP 33 HA ASP 33 -9.472 2.331 -10.259 201 HB2 ASP 33 1HB ASP 33 -8.082 0.380 -11.146 202 HB3 ASP 33 2HB ASP 33 -9.372 -0.668 -10.563 203 H ASN 34 H ASN 34 -10.284 1.726 -7.459 204 HA ASN 34 HA ASN 34 -12.993 0.713 -8.027 205 HB2 ASN 34 1HB ASN 34 -11.747 -0.812 -6.561 206 HB3 ASN 34 2HB ASN 34 -11.437 0.510 -5.439 207 HD21 ASN 34 1HD2 ASN 34 -12.691 0.485 -3.735 208 HD22 ASN 34 2HD2 ASN 34 -14.323 -0.080 -3.672 209 H GLU 35 H GLU 35 -14.128 2.559 -8.315 210 HA GLU 35 HA GLU 35 -13.783 5.048 -7.308 211 HB2 GLU 35 1HB GLU 35 -16.323 3.535 -7.863 212 HB3 GLU 35 2HB GLU 35 -16.353 5.213 -7.339 213 HG2 GLU 35 1HG GLU 35 -14.782 5.665 -9.301 214 HG3 GLU 35 2HG GLU 35 -15.247 4.064 -9.874 215 H GLN 36 H GLN 36 -16.069 2.768 -5.787 216 HA GLN 36 HA GLN 36 -16.764 4.001 -3.535 217 HB2 GLN 36 1HB GLN 36 -15.911 1.141 -3.899 218 HB3 GLN 36 2HB GLN 36 -16.499 1.723 -2.347 219 HG2 GLN 36 1HG GLN 36 -18.503 2.597 -3.798 220 HG3 GLN 36 2HG GLN 36 -17.956 1.342 -4.909 221 HE21 GLN 36 1HE2 GLN 36 -19.571 -0.098 -4.690 222 HE22 GLN 36 2HE2 GLN 36 -19.979 -0.893 -3.212 223 H CYS 37 H CYS 37 -13.597 2.515 -4.050 224 HA CYS 37 HA CYS 37 -12.443 2.642 -1.596 225 HB2 CYS 37 1HB CYS 37 -11.449 2.054 -3.953 226 HB3 CYS 37 2HB CYS 37 -10.894 3.725 -3.921 227 HA PRO 38 HA PRO 38 -13.094 7.028 -0.733 228 HB2 PRO 38 1HB PRO 38 -12.624 6.792 1.930 229 HB3 PRO 38 2HB PRO 38 -14.176 6.384 1.188 230 HG2 PRO 38 1HG PRO 38 -11.932 4.577 2.002 231 HG3 PRO 38 2HG PRO 38 -13.678 4.363 2.225 232 HD2 PRO 38 1HD PRO 38 -12.300 3.129 0.248 233 HD3 PRO 38 2HD PRO 38 -13.992 3.632 0.061 234 H ILE 39 H ILE 39 -10.368 5.110 -0.774 235 HA ILE 39 HA ILE 39 -8.632 7.295 0.165 236 HB ILE 39 HB ILE 39 -7.946 4.375 -0.192 237 HG12 ILE 39 1HG1 ILE 39 -8.168 5.921 2.391 238 HG13 ILE 39 2HG1 ILE 39 -9.510 5.001 1.719 239 HG21 ILE 39 1HG2 ILE 39 -6.227 6.233 1.347 240 HG22 ILE 39 2HG2 ILE 39 -5.793 4.834 0.365 241 HG23 ILE 39 3HG2 ILE 39 -6.194 6.366 -0.411 242 HD11 ILE 39 1HD1 ILE 39 -7.698 3.080 1.687 243 HD12 ILE 39 2HD1 ILE 39 -7.002 4.060 2.978 244 HD13 ILE 39 3HD1 ILE 39 -8.649 3.448 3.126 245 H GLU 40 H GLU 40 -8.873 4.796 -2.361 246 HA GLU 40 HA GLU 40 -7.808 4.639 -4.398 247 HB2 GLU 40 1HB GLU 40 -9.293 7.216 -4.284 248 HB3 GLU 40 2HB GLU 40 -8.257 6.937 -5.676 249 HG2 GLU 40 1HG GLU 40 -9.510 4.646 -5.773 250 HG3 GLU 40 2HG GLU 40 -10.728 5.508 -4.835 251 H TRP 41 H TRP 41 -5.954 5.297 -2.392 252 HA TRP 41 HA TRP 41 -3.855 6.389 -3.998 253 HB2 TRP 41 1HB TRP 41 -4.881 7.985 -1.646 254 HB3 TRP 41 2HB TRP 41 -3.288 8.224 -2.359 255 HD1 TRP 41 HD1 TRP 41 -6.649 9.588 -2.543 256 HE1 TRP 41 HE1 TRP 41 -7.009 10.923 -4.714 257 HE3 TRP 41 HE3 TRP 41 -2.580 7.964 -5.178 258 HZ2 TRP 41 HZ2 TRP 41 -5.736 11.245 -7.213 259 HZ3 TRP 41 HZ3 TRP 41 -2.224 8.834 -7.452 260 HH2 TRP 41 HH2 TRP 41 -3.771 10.440 -8.446 261 H PHE 42 H PHE 42 -2.255 5.033 -3.566 262 HA PHE 42 HA PHE 42 -1.526 4.511 -0.792 263 HB2 PHE 42 1HB PHE 42 -1.864 2.239 -2.755 264 HB3 PHE 42 2HB PHE 42 -1.457 2.122 -1.046 265 HD1 PHE 42 HD1 PHE 42 -4.145 3.081 -3.401 266 HD2 PHE 42 HD2 PHE 42 -3.130 1.991 0.586 267 HE1 PHE 42 HE1 PHE 42 -6.535 2.872 -2.853 268 HE2 PHE 42 HE2 PHE 42 -5.518 1.780 1.140 269 HZ PHE 42 HZ PHE 42 -7.224 2.220 -0.581 270 H HIS 43 H HIS 43 0.632 3.662 -0.551 271 HA HIS 43 HA HIS 43 2.432 4.752 -2.511 272 HB2 HIS 43 1HB HIS 43 3.046 3.180 0.000 273 HB3 HIS 43 2HB HIS 43 4.199 4.118 -0.944 274 HD2 HIS 43 HD2 HIS 43 2.168 6.812 -1.167 275 HE1 HIS 43 HE1 HIS 43 2.671 6.807 3.045 276 HE2 HIS 43 HE2 HIS 43 1.895 8.125 1.045 277 H PHE 44 H PHE 44 4.470 3.349 -3.002 278 HA PHE 44 HA PHE 44 3.489 0.975 -4.363 279 HB2 PHE 44 1HB PHE 44 5.995 2.620 -4.539 280 HB3 PHE 44 2HB PHE 44 5.939 1.008 -5.245 281 HD1 PHE 44 HD2 PHE 44 3.259 3.572 -5.109 282 HD2 PHE 44 HD1 PHE 44 6.005 1.404 -7.533 283 HE1 PHE 44 HE2 PHE 44 2.202 4.498 -7.129 284 HE2 PHE 44 HE1 PHE 44 4.953 2.328 -9.557 285 HZ PHE 44 HZ PHE 44 3.049 3.876 -9.356 286 H SER 45 H SER 45 6.373 1.730 -2.400 287 HA SER 45 HA SER 45 7.257 -0.829 -1.942 288 HB2 SER 45 1HB SER 45 8.630 0.971 -1.219 289 HB3 SER 45 2HB SER 45 7.361 1.620 -0.180 290 HG SER 45 HG SER 45 8.609 0.543 1.213 291 H CYS 46 H CYS 46 4.784 0.965 -0.159 292 HA CYS 46 HA CYS 46 4.354 -0.887 1.895 293 HB2 CYS 46 1HB CYS 46 2.746 1.306 0.663 294 HB3 CYS 46 2HB CYS 46 1.930 0.179 1.741 295 H VAL 47 H VAL 47 2.868 -0.602 -1.308 296 HA VAL 47 HA VAL 47 1.352 -3.059 -0.859 297 HB VAL 47 HB VAL 47 0.286 -2.585 -3.016 298 HG11 VAL 47 1HG1 VAL 47 -0.203 -1.361 -0.685 299 HG12 VAL 47 2HG1 VAL 47 0.132 0.052 -1.689 300 HG13 VAL 47 3HG1 VAL 47 -1.152 -1.070 -2.143 301 HG21 VAL 47 1HG2 VAL 47 1.830 -1.553 -4.380 302 HG22 VAL 47 2HG2 VAL 47 0.810 -0.190 -3.919 303 HG23 VAL 47 3HG2 VAL 47 2.361 -0.441 -3.118 304 H SER 48 H SER 48 4.329 -2.935 -1.212 305 HA SER 48 HA SER 48 6.003 -4.005 -2.336 306 HB2 SER 48 1HB SER 48 3.840 -6.020 -2.980 307 HB3 SER 48 2HB SER 48 5.574 -6.318 -2.860 308 HG SER 48 HG SER 48 4.197 -6.866 -0.973 309 H LEU 49 H LEU 49 5.268 -2.007 -3.868 310 HA LEU 49 HA LEU 49 4.999 -3.150 -6.571 311 HB2 LEU 49 1HB LEU 49 3.774 -0.776 -5.300 312 HB3 LEU 49 2HB LEU 49 4.296 -0.596 -6.974 313 HG LEU 49 HG LEU 49 2.336 -2.655 -5.960 314 HD11 LEU 49 1HD1 LEU 49 2.032 0.104 -6.798 315 HD12 LEU 49 2HD1 LEU 49 0.871 -0.982 -6.035 316 HD13 LEU 49 3HD1 LEU 49 1.081 -1.005 -7.786 317 HD21 LEU 49 1HD2 LEU 49 3.747 -2.267 -8.513 318 HD22 LEU 49 2HD2 LEU 49 2.008 -2.537 -8.640 319 HD23 LEU 49 3HD2 LEU 49 3.027 -3.720 -7.819 320 H THR 50 H THR 50 6.408 -2.482 -8.142 321 HA THR 50 HA THR 50 8.711 -0.920 -7.199 322 HB THR 50 HB THR 50 8.622 -2.624 -9.686 323 HG1 THR 50 HG1 THR 50 8.348 -4.143 -8.165 324 HG21 THR 50 1HG2 THR 50 10.444 -0.799 -9.053 325 HG22 THR 50 2HG2 THR 50 10.886 -2.326 -9.816 326 HG23 THR 50 3HG2 THR 50 11.069 -2.125 -8.074 327 H TYR 51 H TYR 51 6.287 -1.121 -9.728 328 HA TYR 51 HA TYR 51 6.688 1.657 -10.381 329 HB2 TYR 51 1HB TYR 51 6.870 1.031 -12.890 330 HB3 TYR 51 2HB TYR 51 8.320 0.953 -11.894 331 HD1 TYR 51 HD2 TYR 51 5.631 -1.114 -13.396 332 HD2 TYR 51 HD1 TYR 51 9.511 -1.065 -11.651 333 HE1 TYR 51 HE2 TYR 51 5.953 -3.459 -14.061 334 HE2 TYR 51 HE1 TYR 51 9.845 -3.410 -12.312 335 HH TYR 51 HH TYR 51 7.341 -5.188 -14.101 336 H LYS 52 H LYS 52 5.016 2.505 -11.768 337 HA LYS 52 HA LYS 52 2.464 1.714 -11.150 338 HB2 LYS 52 1HB LYS 52 3.068 3.886 -12.174 339 HB3 LYS 52 2HB LYS 52 3.323 3.072 -13.712 340 HG2 LYS 52 1HG LYS 52 1.194 4.013 -13.878 341 HG3 LYS 52 2HG LYS 52 0.901 2.308 -13.524 342 HD2 LYS 52 1HD LYS 52 -0.571 3.469 -12.113 343 HD3 LYS 52 2HD LYS 52 0.782 3.019 -11.072 344 HE2 LYS 52 1HE LYS 52 0.424 5.240 -10.513 345 HE3 LYS 52 2HE LYS 52 1.725 5.345 -11.698 346 HZ1 LYS 52 1HZ LYS 52 0.299 6.146 -13.314 347 HZ2 LYS 52 2HZ LYS 52 -0.269 6.917 -11.920 348 HZ3 LYS 52 3HZ LYS 52 -1.092 5.575 -12.539 349 HA PRO 53 HA PRO 53 2.243 -2.108 -13.485 350 HB2 PRO 53 1HB PRO 53 -0.169 -2.856 -12.489 351 HB3 PRO 53 2HB PRO 53 1.342 -3.054 -11.594 352 HG2 PRO 53 1HG PRO 53 -0.735 -0.911 -11.354 353 HG3 PRO 53 2HG PRO 53 0.135 -1.776 -10.073 354 HD2 PRO 53 1HD PRO 53 0.824 0.717 -10.876 355 HD3 PRO 53 2HD PRO 53 2.016 -0.461 -10.290 356 H LYS 54 H LYS 54 1.717 -2.064 -15.570 357 HA LYS 54 HA LYS 54 -0.265 -0.306 -16.631 358 HB2 LYS 54 1HB LYS 54 1.597 -2.352 -17.747 359 HB3 LYS 54 2HB LYS 54 0.235 -1.840 -18.735 360 HG2 LYS 54 1HG LYS 54 1.174 0.559 -17.986 361 HG3 LYS 54 2HG LYS 54 2.670 -0.377 -17.956 362 HD2 LYS 54 1HD LYS 54 2.697 0.240 -20.146 363 HD3 LYS 54 2HD LYS 54 1.718 -1.222 -20.296 364 HE2 LYS 54 1HE LYS 54 0.479 1.474 -19.834 365 HE3 LYS 54 2HE LYS 54 0.882 0.906 -21.453 366 HZ1 LYS 54 1HZ LYS 54 -1.339 0.309 -21.118 367 HZ2 LYS 54 2HZ LYS 54 -1.062 -0.245 -19.544 368 HZ3 LYS 54 3HZ LYS 54 -0.481 -1.127 -20.865 369 H GLY 55 H GLY 55 -2.380 -0.652 -16.502 370 HA2 GLY 55 1HA GLY 55 -4.067 -2.250 -17.563 371 HA3 GLY 55 2HA GLY 55 -3.347 -3.438 -16.487 372 H LYS 56 H LYS 56 -4.323 -3.746 -14.604 373 HA LYS 56 HA LYS 56 -5.859 -1.534 -13.426 374 HB2 LYS 56 1HB LYS 56 -6.784 -4.378 -13.835 375 HB3 LYS 56 2HB LYS 56 -7.566 -3.267 -12.718 376 HG2 LYS 56 1HG LYS 56 -8.233 -1.828 -14.481 377 HG3 LYS 56 2HG LYS 56 -7.217 -2.680 -15.646 378 HD2 LYS 56 1HD LYS 56 -9.234 -3.625 -16.148 379 HD3 LYS 56 2HD LYS 56 -8.705 -4.736 -14.882 380 HE2 LYS 56 1HE LYS 56 -10.137 -3.814 -13.303 381 HE3 LYS 56 2HE LYS 56 -10.302 -2.301 -14.192 382 HZ1 LYS 56 1HZ LYS 56 -11.281 -4.773 -15.428 383 HZ2 LYS 56 2HZ LYS 56 -11.845 -3.188 -15.601 384 HZ3 LYS 56 3HZ LYS 56 -12.204 -4.065 -14.199 385 H TRP 57 H TRP 57 -5.484 -1.224 -11.321 386 HA TRP 57 HA TRP 57 -4.210 -3.399 -9.798 387 HB2 TRP 57 1HB TRP 57 -2.547 -1.677 -10.413 388 HB3 TRP 57 2HB TRP 57 -3.535 -0.454 -9.618 389 HD1 TRP 57 HD1 TRP 57 -1.175 -3.359 -8.853 390 HE1 TRP 57 HE1 TRP 57 -0.493 -3.238 -6.374 391 HE3 TRP 57 HE3 TRP 57 -4.332 0.360 -7.324 392 HZ2 TRP 57 HZ2 TRP 57 -1.201 -1.762 -4.074 393 HZ3 TRP 57 HZ3 TRP 57 -4.267 1.067 -4.968 394 HH2 TRP 57 HH2 TRP 57 -2.734 0.027 -3.379 395 H TYR 58 H TYR 58 -5.484 -4.013 -8.192 396 HA TYR 58 HA TYR 58 -7.343 -2.060 -7.024 397 HB2 TYR 58 1HB TYR 58 -7.386 -5.065 -7.200 398 HB3 TYR 58 2HB TYR 58 -8.416 -4.196 -6.068 399 HD1 TYR 58 HD2 TYR 58 -9.760 -2.176 -7.209 400 HD2 TYR 58 HD1 TYR 58 -8.290 -5.610 -9.247 401 HE1 TYR 58 HE2 TYR 58 -11.425 -1.827 -8.986 402 HE2 TYR 58 HE1 TYR 58 -9.950 -5.270 -11.030 403 HH TYR 58 HH TYR 58 -12.561 -3.095 -10.720 404 H CYS 59 H CYS 59 -6.661 -1.154 -5.209 405 HA CYS 59 HA CYS 59 -4.512 -1.737 -3.670 406 HB2 CYS 59 1HB CYS 59 -5.395 -0.345 -2.009 407 HB3 CYS 59 2HB CYS 59 -6.216 0.198 -3.469 408 HA PRO 60 HA PRO 60 -5.157 -5.477 -1.465 409 HB2 PRO 60 1HB PRO 60 -3.869 -4.947 0.865 410 HB3 PRO 60 2HB PRO 60 -3.020 -5.231 -0.659 411 HG2 PRO 60 1HG PRO 60 -3.684 -2.640 0.685 412 HG3 PRO 60 2HG PRO 60 -2.178 -3.134 -0.111 413 HD2 PRO 60 1HD PRO 60 -4.009 -1.545 -1.317 414 HD3 PRO 60 2HD PRO 60 -3.000 -2.693 -2.219 415 H LYS 61 H LYS 61 -6.598 -2.597 -0.528 416 HA LYS 61 HA LYS 61 -7.868 -3.683 1.860 417 HB2 LYS 61 1HB LYS 61 -7.603 -1.000 0.624 418 HB3 LYS 61 2HB LYS 61 -9.083 -1.304 1.524 419 HG2 LYS 61 1HG LYS 61 -6.504 -2.017 2.808 420 HG3 LYS 61 2HG LYS 61 -6.928 -0.309 2.673 421 HD2 LYS 61 1HD LYS 61 -7.914 -0.773 4.677 422 HD3 LYS 61 2HD LYS 61 -9.248 -1.199 3.603 423 HE2 LYS 61 1HE LYS 61 -7.237 -3.275 4.349 424 HE3 LYS 61 2HE LYS 61 -8.494 -2.834 5.503 425 HZ1 LYS 61 1HZ LYS 61 -8.727 -4.633 3.456 426 HZ2 LYS 61 2HZ LYS 61 -9.555 -3.271 2.893 427 HZ3 LYS 61 3HZ LYS 61 -9.996 -3.981 4.363 428 H CYS 62 H CYS 62 -8.509 -3.186 -1.498 429 HA CYS 62 HA CYS 62 -11.375 -3.638 -1.147 430 HB2 CYS 62 1HB CYS 62 -9.729 -2.964 -3.592 431 HB3 CYS 62 2HB CYS 62 -11.468 -3.240 -3.618 432 H ARG 63 H ARG 63 -8.710 -4.985 -3.099 433 HA ARG 63 HA ARG 63 -10.048 -7.222 -4.059 434 HB2 ARG 63 1HB ARG 63 -7.880 -8.156 -4.541 435 HB3 ARG 63 2HB ARG 63 -7.825 -6.424 -4.842 436 HG2 ARG 63 1HG ARG 63 -5.876 -6.653 -3.711 437 HG3 ARG 63 2HG ARG 63 -6.956 -6.394 -2.340 438 HD2 ARG 63 1HD ARG 63 -5.521 -8.258 -1.854 439 HD3 ARG 63 2HD ARG 63 -7.162 -8.853 -2.101 440 HE ARG 63 HE ARG 63 -6.453 -9.964 -3.989 441 HH11 ARG 63 1HH1 ARG 63 -3.961 -7.800 -2.881 442 HH12 ARG 63 2HH1 ARG 63 -2.750 -8.444 -3.938 443 HH21 ARG 63 1HH2 ARG 63 -4.866 -10.821 -5.386 444 HH22 ARG 63 2HH2 ARG 63 -3.266 -10.162 -5.363 445 H GLY 64 H GLY 64 -8.524 -6.657 -0.957 446 HA2 GLY 64 1HA GLY 64 -8.203 -9.205 0.032 447 HA3 GLY 64 2HA GLY 64 -8.677 -7.829 1.016 448 H ASP 65 H ASP 65 -11.196 -7.307 -0.071 449 HA ASP 65 HA ASP 65 -12.675 -9.796 0.457 450 HB2 ASP 65 1HB ASP 65 -12.603 -8.215 2.443 451 HB3 ASP 65 2HB ASP 65 -13.547 -7.089 1.471 452 H SER 66 H SER 66 -13.643 -10.279 -1.402 453 HA SER 66 HA SER 66 -14.826 -8.096 -2.983 454 HB2 SER 66 1HB SER 66 -14.688 -9.589 -4.912 455 HB3 SER 66 2HB SER 66 -13.105 -9.442 -4.149 456 HG SER 66 HG SER 66 -14.703 -11.506 -3.228 457 H GLY 67 H GLY 67 -16.959 -7.903 -2.908 458 HA2 GLY 67 1HA GLY 67 -18.731 -10.108 -3.174 459 HA3 GLY 67 2HA GLY 67 -18.680 -9.565 -1.504 460 HA PRO 68 HA PRO 68 -21.388 -6.204 -2.281 461 HB2 PRO 68 1HB PRO 68 -20.124 -3.979 -1.373 462 HB3 PRO 68 2HB PRO 68 -20.758 -5.231 -0.297 463 HG2 PRO 68 1HG PRO 68 -17.954 -4.795 -1.250 464 HG3 PRO 68 2HG PRO 68 -18.532 -5.208 0.375 465 HD2 PRO 68 1HD PRO 68 -17.496 -7.052 -1.316 466 HD3 PRO 68 2HD PRO 68 -18.769 -7.442 -0.142 467 H SER 69 H SER 69 -18.508 -6.366 -3.974 468 HA SER 69 HA SER 69 -18.805 -3.907 -5.463 469 HB2 SER 69 1HB SER 69 -16.564 -4.823 -5.024 470 HB3 SER 69 2HB SER 69 -16.976 -6.275 -5.936 471 HG SER 69 HG SER 69 -17.240 -3.757 -7.148 472 H SER 70 H SER 70 -21.111 -5.499 -5.562 473 HA SER 70 HA SER 70 -21.243 -7.095 -7.900 474 HB2 SER 70 1HB SER 70 -23.510 -5.659 -6.500 475 HB3 SER 70 2HB SER 70 -23.653 -7.038 -7.591 476 HG SER 70 HG SER 70 -23.490 -8.167 -5.828 477 H GLY 71 H GLY 71 -22.847 -6.528 -9.704 478 HA2 GLY 71 1HA GLY 71 -23.751 -4.262 -10.668 479 HA3 GLY 71 2HA GLY 71 -22.029 -3.926 -10.775 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 32.391 18.209 5.536 2 HA2 GLY 1 1HA GLY 1 31.152 20.080 3.709 3 HA3 GLY 1 2HA GLY 1 30.544 18.436 3.580 4 H SER 2 H SER 2 29.626 21.223 4.714 5 HA SER 2 HA SER 2 28.618 20.191 7.280 6 HB2 SER 2 1HB SER 2 29.105 23.005 6.306 7 HB3 SER 2 2HB SER 2 28.131 22.659 7.735 8 HG SER 2 HG SER 2 29.886 21.909 8.772 9 H SER 3 H SER 3 26.427 20.430 7.802 10 HA SER 3 HA SER 3 24.658 21.086 5.539 11 HB2 SER 3 1HB SER 3 24.433 18.780 7.483 12 HB3 SER 3 2HB SER 3 23.125 19.283 6.412 13 HG SER 3 HG SER 3 24.950 17.597 5.810 14 H GLY 4 H GLY 4 22.551 21.865 6.101 15 HA2 GLY 4 1HA GLY 4 22.514 23.148 8.759 16 HA3 GLY 4 2HA GLY 4 21.762 23.817 7.319 17 H SER 5 H SER 5 19.807 24.011 8.536 18 HA SER 5 HA SER 5 18.363 21.453 8.758 19 HB2 SER 5 1HB SER 5 17.079 22.493 10.653 20 HB3 SER 5 2HB SER 5 18.782 22.203 11.009 21 HG SER 5 HG SER 5 18.828 24.565 10.071 22 H SER 6 H SER 6 18.374 22.967 6.439 23 HA SER 6 HA SER 6 15.906 24.525 6.439 24 HB2 SER 6 1HB SER 6 17.949 25.360 5.253 25 HB3 SER 6 2HB SER 6 17.804 24.000 4.140 26 HG SER 6 HG SER 6 16.201 24.967 3.166 27 H GLY 7 H GLY 7 15.501 21.835 6.979 28 HA2 GLY 7 1HA GLY 7 15.004 20.152 4.826 29 HA3 GLY 7 2HA GLY 7 14.127 20.108 6.348 30 H GLU 8 H GLU 8 13.897 20.662 3.048 31 HA GLU 8 HA GLU 8 11.532 22.354 3.241 32 HB2 GLU 8 1HB GLU 8 13.194 22.808 1.479 33 HB3 GLU 8 2HB GLU 8 12.918 21.205 0.812 34 HG2 GLU 8 1HG GLU 8 11.648 22.567 -0.552 35 HG3 GLU 8 2HG GLU 8 10.466 21.948 0.600 36 H PHE 9 H PHE 9 9.473 21.724 2.677 37 HA PHE 9 HA PHE 9 7.688 20.326 2.506 38 HB2 PHE 9 1HB PHE 9 8.618 19.901 0.276 39 HB3 PHE 9 2HB PHE 9 9.642 18.631 0.937 40 HD1 PHE 9 HD2 PHE 9 6.045 19.594 0.756 41 HD2 PHE 9 HD1 PHE 9 8.921 16.457 0.787 42 HE1 PHE 9 HE2 PHE 9 4.254 17.953 0.365 43 HE2 PHE 9 HE1 PHE 9 7.135 14.810 0.396 44 HZ PHE 9 HZ PHE 9 4.798 15.557 0.185 45 H ALA 10 H ALA 10 9.084 20.137 4.883 46 HA ALA 10 HA ALA 10 9.634 17.405 5.554 47 HB1 ALA 10 1HB ALA 10 9.927 18.219 7.821 48 HB2 ALA 10 2HB ALA 10 10.760 19.275 6.679 49 HB3 ALA 10 3HB ALA 10 9.217 19.771 7.377 50 H ILE 11 H ILE 11 8.381 15.960 6.672 51 HA ILE 11 HA ILE 11 5.714 15.756 6.277 52 HB ILE 11 HB ILE 11 7.185 14.830 8.748 53 HG12 ILE 11 1HG1 ILE 11 6.895 12.614 7.296 54 HG13 ILE 11 2HG1 ILE 11 6.882 13.777 5.975 55 HG21 ILE 11 1HG2 ILE 11 4.617 13.738 7.619 56 HG22 ILE 11 2HG2 ILE 11 5.403 13.302 9.135 57 HG23 ILE 11 3HG2 ILE 11 4.685 14.901 8.943 58 HD11 ILE 11 1HD1 ILE 11 9.098 12.691 7.331 59 HD12 ILE 11 2HD1 ILE 11 9.085 13.891 6.039 60 HD13 ILE 11 3HD1 ILE 11 9.034 14.409 7.724 61 H ASP 12 H ASP 12 3.943 16.795 6.902 62 HA ASP 12 HA ASP 12 4.021 18.344 9.404 63 HB2 ASP 12 1HB ASP 12 2.531 19.266 6.951 64 HB3 ASP 12 2HB ASP 12 2.916 20.186 8.403 65 HA PRO 13 HA PRO 13 0.364 16.101 10.412 66 HB2 PRO 13 1HB PRO 13 -0.578 17.728 12.370 67 HB3 PRO 13 2HB PRO 13 0.812 16.660 12.595 68 HG2 PRO 13 1HG PRO 13 0.754 19.592 11.993 69 HG3 PRO 13 2HG PRO 13 1.780 18.704 13.135 70 HD2 PRO 13 1HD PRO 13 2.655 19.487 10.695 71 HD3 PRO 13 2HD PRO 13 3.228 18.004 11.484 72 H ASN 14 H ASN 14 0.406 19.131 8.940 73 HA ASN 14 HA ASN 14 -2.408 19.686 9.035 74 HB2 ASN 14 1HB ASN 14 -0.423 20.803 7.054 75 HB3 ASN 14 2HB ASN 14 -1.936 21.526 7.593 76 HD21 ASN 14 1HD2 ASN 14 -1.886 22.899 9.240 77 HD22 ASN 14 2HD2 ASN 14 -0.524 23.181 10.266 78 H GLU 15 H GLU 15 -0.217 18.727 6.385 79 HA GLU 15 HA GLU 15 -2.076 18.296 4.410 80 HB2 GLU 15 1HB GLU 15 0.567 17.030 5.021 81 HB3 GLU 15 2HB GLU 15 -0.406 16.401 3.698 82 HG2 GLU 15 1HG GLU 15 -0.370 18.521 2.584 83 HG3 GLU 15 2HG GLU 15 0.433 19.278 3.958 84 HA PRO 16 HA PRO 16 -4.566 14.914 5.731 85 HB2 PRO 16 1HB PRO 16 -5.458 14.074 3.308 86 HB3 PRO 16 2HB PRO 16 -6.036 15.553 4.085 87 HG2 PRO 16 1HG PRO 16 -3.978 15.222 1.936 88 HG3 PRO 16 2HG PRO 16 -5.274 16.425 2.069 89 HD2 PRO 16 1HD PRO 16 -2.704 16.976 2.717 90 HD3 PRO 16 2HD PRO 16 -4.080 17.734 3.543 91 H THR 17 H THR 17 -5.006 12.542 4.925 92 HA THR 17 HA THR 17 -2.499 11.283 4.059 93 HB THR 17 HB THR 17 -2.670 9.566 5.780 94 HG1 THR 17 HG1 THR 17 -5.112 10.156 5.978 95 HG21 THR 17 1HG2 THR 17 -1.337 10.901 6.966 96 HG22 THR 17 2HG2 THR 17 -2.764 11.593 7.737 97 HG23 THR 17 3HG2 THR 17 -2.105 12.331 6.278 98 H TYR 18 H TYR 18 -2.727 9.309 2.996 99 HA TYR 18 HA TYR 18 -5.474 8.407 2.473 100 HB2 TYR 18 1HB TYR 18 -3.338 8.763 0.361 101 HB3 TYR 18 2HB TYR 18 -4.960 8.134 0.097 102 HD1 TYR 18 HD2 TYR 18 -3.079 11.165 1.113 103 HD2 TYR 18 HD1 TYR 18 -6.767 9.589 -0.307 104 HE1 TYR 18 HE2 TYR 18 -3.889 13.450 0.700 105 HE2 TYR 18 HE1 TYR 18 -7.587 11.870 -0.726 106 HH TYR 18 HH TYR 18 -6.934 14.289 0.360 107 H CYS 19 H CYS 19 -2.100 7.566 1.663 108 HA CYS 19 HA CYS 19 -2.284 4.902 1.259 109 HB2 CYS 19 1HB CYS 19 -0.181 6.285 1.233 110 HB3 CYS 19 2HB CYS 19 -0.126 6.125 2.986 111 H LEU 20 H LEU 20 -1.750 3.040 2.669 112 HA LEU 20 HA LEU 20 -3.582 2.805 4.778 113 HB2 LEU 20 1HB LEU 20 -1.147 1.107 4.261 114 HB3 LEU 20 2HB LEU 20 -2.554 0.654 5.221 115 HG LEU 20 HG LEU 20 -2.851 1.317 2.315 116 HD11 LEU 20 1HD1 LEU 20 -1.047 -0.529 2.969 117 HD12 LEU 20 2HD1 LEU 20 -2.124 -0.702 1.583 118 HD13 LEU 20 3HD1 LEU 20 -2.503 -1.516 3.101 119 HD21 LEU 20 1HD2 LEU 20 -4.817 1.066 3.844 120 HD22 LEU 20 2HD2 LEU 20 -4.342 -0.616 4.080 121 HD23 LEU 20 3HD2 LEU 20 -4.800 -0.046 2.474 122 H CYS 21 H CYS 21 -0.130 3.509 4.750 123 HA CYS 21 HA CYS 21 0.207 3.356 7.576 124 HB2 CYS 21 1HB CYS 21 2.386 4.393 7.170 125 HB3 CYS 21 2HB CYS 21 2.092 3.092 6.020 126 H ASN 22 H ASN 22 -1.575 5.441 5.811 127 HA ASN 22 HA ASN 22 -2.458 7.510 6.149 128 HB2 ASN 22 1HB ASN 22 -1.579 6.873 8.970 129 HB3 ASN 22 2HB ASN 22 -2.561 8.273 8.550 130 HD21 ASN 22 1HD2 ASN 22 -3.527 6.508 10.333 131 HD22 ASN 22 2HD2 ASN 22 -4.819 5.591 9.644 132 H GLN 23 H GLN 23 -0.164 7.787 4.912 133 HA GLN 23 HA GLN 23 1.207 9.983 6.319 134 HB2 GLN 23 1HB GLN 23 2.316 7.809 4.567 135 HB3 GLN 23 2HB GLN 23 3.168 9.336 4.756 136 HG2 GLN 23 1HG GLN 23 2.316 7.802 7.168 137 HG3 GLN 23 2HG GLN 23 3.757 7.319 6.276 138 HE21 GLN 23 1HE2 GLN 23 5.514 8.046 7.214 139 HE22 GLN 23 2HE2 GLN 23 5.713 9.592 7.958 140 H VAL 24 H VAL 24 2.200 11.597 4.854 141 HA VAL 24 HA VAL 24 0.285 12.477 2.924 142 HB VAL 24 HB VAL 24 1.740 14.390 2.584 143 HG11 VAL 24 1HG1 VAL 24 0.432 14.749 4.454 144 HG12 VAL 24 2HG1 VAL 24 1.227 13.477 5.384 145 HG13 VAL 24 3HG1 VAL 24 2.056 15.006 5.091 146 HG21 VAL 24 1HG2 VAL 24 3.767 12.553 3.474 147 HG22 VAL 24 2HG2 VAL 24 3.945 14.114 2.672 148 HG23 VAL 24 3HG2 VAL 24 3.814 14.035 4.429 149 H SER 25 H SER 25 0.275 12.242 0.774 150 HA SER 25 HA SER 25 1.597 10.318 -0.599 151 HB2 SER 25 1HB SER 25 -0.079 11.227 -1.878 152 HB3 SER 25 2HB SER 25 0.326 12.882 -1.425 153 HG SER 25 HG SER 25 1.081 11.491 -3.596 154 H TYR 26 H TYR 26 3.502 10.048 -1.666 155 HA TYR 26 HA TYR 26 5.317 12.204 -2.169 156 HB2 TYR 26 1HB TYR 26 6.997 11.770 -0.606 157 HB3 TYR 26 2HB TYR 26 5.524 11.630 0.348 158 HD1 TYR 26 HD1 TYR 26 8.150 9.677 -1.387 159 HD2 TYR 26 HD2 TYR 26 4.964 9.604 1.432 160 HE1 TYR 26 HE1 TYR 26 8.823 7.415 -0.694 161 HE2 TYR 26 HE2 TYR 26 5.629 7.343 2.134 162 HH TYR 26 HH TYR 26 6.857 5.466 1.372 163 H GLY 27 H GLY 27 6.948 11.636 -3.587 164 HA2 GLY 27 1HA GLY 27 8.074 10.365 -5.136 165 HA3 GLY 27 2HA GLY 27 7.745 8.970 -4.119 166 H GLU 28 H GLU 28 6.626 7.425 -5.082 167 HA GLU 28 HA GLU 28 4.806 8.176 -7.272 168 HB2 GLU 28 1HB GLU 28 5.132 5.860 -8.102 169 HB3 GLU 28 2HB GLU 28 6.621 6.794 -8.063 170 HG2 GLU 28 1HG GLU 28 6.816 5.656 -5.673 171 HG3 GLU 28 2HG GLU 28 5.811 4.441 -6.462 172 H MET 29 H MET 29 2.716 7.503 -7.250 173 HA MET 29 HA MET 29 1.849 5.619 -5.191 174 HB2 MET 29 1HB MET 29 1.093 8.497 -5.362 175 HB3 MET 29 2HB MET 29 -0.154 7.345 -4.902 176 HG2 MET 29 1HG MET 29 1.230 6.573 -3.051 177 HG3 MET 29 2HG MET 29 2.492 7.711 -3.516 178 HE1 MET 29 1HE MET 29 -0.237 7.244 -0.931 179 HE2 MET 29 2HE MET 29 -1.377 8.547 -1.266 180 HE3 MET 29 3HE MET 29 -1.150 7.251 -2.441 181 H ILE 30 H ILE 30 -0.149 4.609 -5.626 182 HA ILE 30 HA ILE 30 -1.034 4.896 -8.422 183 HB ILE 30 HB ILE 30 -1.526 2.619 -8.525 184 HG12 ILE 30 1HG1 ILE 30 -2.777 2.470 -6.415 185 HG13 ILE 30 2HG1 ILE 30 -1.643 1.133 -6.576 186 HG21 ILE 30 1HG2 ILE 30 0.960 3.021 -6.883 187 HG22 ILE 30 2HG2 ILE 30 0.517 1.464 -7.580 188 HG23 ILE 30 3HG2 ILE 30 0.822 2.846 -8.632 189 HD11 ILE 30 1HD1 ILE 30 -0.084 2.743 -5.197 190 HD12 ILE 30 2HD1 ILE 30 -1.632 3.417 -4.687 191 HD13 ILE 30 3HD1 ILE 30 -1.278 1.712 -4.410 192 H GLY 31 H GLY 31 -3.323 4.422 -8.844 193 HA2 GLY 31 1HA GLY 31 -5.010 5.301 -6.583 194 HA3 GLY 31 2HA GLY 31 -5.313 5.740 -8.257 195 H CYS 32 H CYS 32 -6.189 3.691 -5.795 196 HA CYS 32 HA CYS 32 -6.656 1.229 -6.933 197 HB2 CYS 32 1HB CYS 32 -7.084 1.643 -4.584 198 HB3 CYS 32 2HB CYS 32 -8.385 2.760 -4.981 199 H ASP 33 H ASP 33 -7.517 0.856 -8.869 200 HA ASP 33 HA ASP 33 -9.013 2.374 -10.495 201 HB2 ASP 33 1HB ASP 33 -8.196 -0.066 -10.799 202 HB3 ASP 33 2HB ASP 33 -9.781 -0.516 -10.175 203 H ASN 34 H ASN 34 -10.168 0.753 -7.627 204 HA ASN 34 HA ASN 34 -12.947 1.097 -8.149 205 HB2 ASN 34 1HB ASN 34 -11.932 -0.562 -6.532 206 HB3 ASN 34 2HB ASN 34 -11.642 0.790 -5.441 207 HD21 ASN 34 1HD2 ASN 34 -13.054 0.676 -3.856 208 HD22 ASN 34 2HD2 ASN 34 -14.751 0.395 -4.025 209 H GLU 35 H GLU 35 -13.652 3.120 -8.523 210 HA GLU 35 HA GLU 35 -12.638 5.483 -7.472 211 HB2 GLU 35 1HB GLU 35 -15.217 4.685 -8.728 212 HB3 GLU 35 2HB GLU 35 -15.158 6.236 -7.903 213 HG2 GLU 35 1HG GLU 35 -13.426 5.340 -10.192 214 HG3 GLU 35 2HG GLU 35 -14.702 6.556 -10.233 215 H GLN 36 H GLN 36 -15.424 3.577 -6.343 216 HA GLN 36 HA GLN 36 -16.378 5.061 -4.299 217 HB2 GLN 36 1HB GLN 36 -17.364 2.938 -4.771 218 HB3 GLN 36 2HB GLN 36 -15.879 2.087 -4.366 219 HG2 GLN 36 1HG GLN 36 -17.111 1.710 -2.485 220 HG3 GLN 36 2HG GLN 36 -16.248 3.175 -2.019 221 HE21 GLN 36 1HE2 GLN 36 -19.305 1.854 -3.057 222 HE22 GLN 36 2HE2 GLN 36 -20.277 3.191 -2.555 223 H CYS 37 H CYS 37 -13.341 3.312 -4.338 224 HA CYS 37 HA CYS 37 -12.631 3.245 -1.696 225 HB2 CYS 37 1HB CYS 37 -11.328 2.612 -3.917 226 HB3 CYS 37 2HB CYS 37 -10.570 4.178 -3.644 227 HA PRO 38 HA PRO 38 -12.821 7.574 -0.612 228 HB2 PRO 38 1HB PRO 38 -12.201 7.210 2.006 229 HB3 PRO 38 2HB PRO 38 -13.808 6.888 1.345 230 HG2 PRO 38 1HG PRO 38 -11.588 4.972 1.947 231 HG3 PRO 38 2HG PRO 38 -13.325 4.809 2.269 232 HD2 PRO 38 1HD PRO 38 -12.114 3.612 0.163 233 HD3 PRO 38 2HD PRO 38 -13.795 4.181 0.101 234 H ILE 39 H ILE 39 -10.166 5.527 -0.806 235 HA ILE 39 HA ILE 39 -8.309 7.661 0.016 236 HB ILE 39 HB ILE 39 -7.749 4.707 -0.278 237 HG12 ILE 39 1HG1 ILE 39 -7.878 6.364 2.246 238 HG13 ILE 39 2HG1 ILE 39 -9.210 5.373 1.663 239 HG21 ILE 39 1HG2 ILE 39 -5.559 5.101 0.307 240 HG22 ILE 39 2HG2 ILE 39 -5.910 6.519 -0.680 241 HG23 ILE 39 3HG2 ILE 39 -5.930 6.642 1.079 242 HD11 ILE 39 1HD1 ILE 39 -6.564 4.083 2.017 243 HD12 ILE 39 2HD1 ILE 39 -7.503 4.487 3.455 244 HD13 ILE 39 3HD1 ILE 39 -8.185 3.423 2.225 245 H GLU 40 H GLU 40 -8.548 5.003 -2.356 246 HA GLU 40 HA GLU 40 -7.616 4.772 -4.436 247 HB2 GLU 40 1HB GLU 40 -9.057 7.373 -4.384 248 HB3 GLU 40 2HB GLU 40 -8.056 7.034 -5.790 249 HG2 GLU 40 1HG GLU 40 -9.366 4.733 -5.694 250 HG3 GLU 40 2HG GLU 40 -10.561 5.742 -4.883 251 H TRP 41 H TRP 41 -5.755 5.646 -2.414 252 HA TRP 41 HA TRP 41 -3.645 6.543 -4.148 253 HB2 TRP 41 1HB TRP 41 -4.603 8.316 -1.894 254 HB3 TRP 41 2HB TRP 41 -3.035 8.491 -2.678 255 HD1 TRP 41 HD1 TRP 41 -6.352 9.919 -2.821 256 HE1 TRP 41 HE1 TRP 41 -6.799 11.072 -5.078 257 HE3 TRP 41 HE3 TRP 41 -2.487 7.942 -5.522 258 HZ2 TRP 41 HZ2 TRP 41 -5.664 11.135 -7.662 259 HZ3 TRP 41 HZ3 TRP 41 -2.239 8.600 -7.880 260 HH2 TRP 41 HH2 TRP 41 -3.796 10.163 -8.926 261 H PHE 42 H PHE 42 -2.062 5.194 -3.637 262 HA PHE 42 HA PHE 42 -1.292 4.878 -0.845 263 HB2 PHE 42 1HB PHE 42 -1.743 2.472 -2.620 264 HB3 PHE 42 2HB PHE 42 -1.251 2.464 -0.930 265 HD1 PHE 42 HD1 PHE 42 -4.036 3.056 -3.247 266 HD2 PHE 42 HD2 PHE 42 -2.843 2.750 0.827 267 HE1 PHE 42 HE1 PHE 42 -6.398 2.940 -2.567 268 HE2 PHE 42 HE2 PHE 42 -5.202 2.633 1.514 269 HZ PHE 42 HZ PHE 42 -6.984 2.728 -0.184 270 H HIS 43 H HIS 43 0.857 4.045 -0.569 271 HA HIS 43 HA HIS 43 2.635 4.922 -2.649 272 HB2 HIS 43 1HB HIS 43 3.246 3.576 -0.009 273 HB3 HIS 43 2HB HIS 43 4.423 4.357 -1.061 274 HD2 HIS 43 HD2 HIS 43 2.821 7.175 -1.571 275 HE1 HIS 43 HE1 HIS 43 2.849 7.461 2.662 276 HE2 HIS 43 HE2 HIS 43 2.474 8.691 0.496 277 H PHE 44 H PHE 44 4.613 3.471 -3.119 278 HA PHE 44 HA PHE 44 3.577 1.002 -4.237 279 HB2 PHE 44 1HB PHE 44 6.140 2.542 -4.571 280 HB3 PHE 44 2HB PHE 44 5.975 0.904 -5.194 281 HD1 PHE 44 HD2 PHE 44 3.454 3.629 -5.109 282 HD2 PHE 44 HD1 PHE 44 5.978 1.173 -7.500 283 HE1 PHE 44 HE2 PHE 44 2.385 4.514 -7.140 284 HE2 PHE 44 HE1 PHE 44 4.914 2.055 -9.535 285 HZ PHE 44 HZ PHE 44 3.114 3.727 -9.357 286 H SER 45 H SER 45 6.546 1.833 -2.438 287 HA SER 45 HA SER 45 7.375 -0.692 -1.775 288 HB2 SER 45 1HB SER 45 7.623 1.945 -0.365 289 HB3 SER 45 2HB SER 45 8.244 0.481 0.398 290 HG SER 45 HG SER 45 8.916 1.116 -2.263 291 H CYS 46 H CYS 46 4.942 1.277 -0.141 292 HA CYS 46 HA CYS 46 4.535 -0.376 2.089 293 HB2 CYS 46 1HB CYS 46 2.937 1.727 0.698 294 HB3 CYS 46 2HB CYS 46 2.125 0.713 1.886 295 H VAL 47 H VAL 47 2.920 -0.305 -1.072 296 HA VAL 47 HA VAL 47 1.363 -2.668 -0.399 297 HB VAL 47 HB VAL 47 0.342 -2.398 -2.611 298 HG11 VAL 47 1HG1 VAL 47 0.462 0.259 -1.196 299 HG12 VAL 47 2HG1 VAL 47 -0.864 -0.386 -2.165 300 HG13 VAL 47 3HG1 VAL 47 -0.464 -1.124 -0.614 301 HG21 VAL 47 1HG2 VAL 47 2.430 -0.262 -2.907 302 HG22 VAL 47 2HG2 VAL 47 2.061 -1.602 -3.991 303 HG23 VAL 47 3HG2 VAL 47 0.944 -0.244 -3.857 304 H SER 48 H SER 48 4.389 -2.587 -0.832 305 HA SER 48 HA SER 48 6.010 -3.903 -1.738 306 HB2 SER 48 1HB SER 48 4.627 -5.674 -0.698 307 HB3 SER 48 2HB SER 48 3.711 -5.820 -2.198 308 HG SER 48 HG SER 48 5.222 -7.323 -2.462 309 H LEU 49 H LEU 49 5.270 -1.986 -3.456 310 HA LEU 49 HA LEU 49 5.076 -3.350 -6.061 311 HB2 LEU 49 1HB LEU 49 3.953 -0.803 -5.039 312 HB3 LEU 49 2HB LEU 49 4.481 -0.839 -6.721 313 HG LEU 49 HG LEU 49 2.516 -2.816 -5.581 314 HD11 LEU 49 1HD1 LEU 49 0.785 -1.422 -5.898 315 HD12 LEU 49 2HD1 LEU 49 1.517 -0.663 -7.311 316 HD13 LEU 49 3HD1 LEU 49 2.001 -0.161 -5.691 317 HD21 LEU 49 1HD2 LEU 49 2.447 -2.072 -8.412 318 HD22 LEU 49 2HD2 LEU 49 2.379 -3.662 -7.652 319 HD23 LEU 49 3HD2 LEU 49 3.936 -2.872 -7.909 320 H THR 50 H THR 50 6.337 -2.484 -7.805 321 HA THR 50 HA THR 50 8.726 -1.012 -6.897 322 HB THR 50 HB THR 50 8.623 -3.164 -9.020 323 HG1 THR 50 HG1 THR 50 9.824 -4.361 -7.475 324 HG21 THR 50 1HG2 THR 50 10.599 -1.130 -8.318 325 HG22 THR 50 2HG2 THR 50 10.475 -2.135 -9.762 326 HG23 THR 50 3HG2 THR 50 11.250 -2.769 -8.310 327 H TYR 51 H TYR 51 6.418 -1.569 -9.487 328 HA TYR 51 HA TYR 51 7.019 1.076 -10.551 329 HB2 TYR 51 1HB TYR 51 7.007 0.131 -12.900 330 HB3 TYR 51 2HB TYR 51 8.441 -0.229 -11.945 331 HD1 TYR 51 HD1 TYR 51 8.741 -2.509 -10.987 332 HD2 TYR 51 HD2 TYR 51 5.589 -1.605 -13.698 333 HE1 TYR 51 HE1 TYR 51 8.430 -4.910 -11.417 334 HE2 TYR 51 HE2 TYR 51 5.268 -4.004 -14.134 335 HH TYR 51 HH TYR 51 5.937 -6.065 -13.672 336 H LYS 52 H LYS 52 5.345 1.924 -11.913 337 HA LYS 52 HA LYS 52 2.759 1.436 -11.007 338 HB2 LYS 52 1HB LYS 52 3.833 3.423 -12.394 339 HB3 LYS 52 2HB LYS 52 3.155 2.537 -13.753 340 HG2 LYS 52 1HG LYS 52 1.501 3.290 -11.367 341 HG3 LYS 52 2HG LYS 52 1.738 4.384 -12.733 342 HD2 LYS 52 1HD LYS 52 0.713 2.846 -14.240 343 HD3 LYS 52 2HD LYS 52 0.698 1.570 -13.020 344 HE2 LYS 52 1HE LYS 52 -1.502 2.373 -13.065 345 HE3 LYS 52 2HE LYS 52 -0.779 3.136 -11.650 346 HZ1 LYS 52 1HZ LYS 52 -1.276 4.369 -14.301 347 HZ2 LYS 52 2HZ LYS 52 -0.346 5.103 -13.094 348 HZ3 LYS 52 3HZ LYS 52 -1.985 4.786 -12.823 349 HA PRO 53 HA PRO 53 2.042 -2.385 -13.249 350 HB2 PRO 53 1HB PRO 53 -0.337 -2.915 -12.053 351 HB3 PRO 53 2HB PRO 53 1.220 -3.233 -11.279 352 HG2 PRO 53 1HG PRO 53 -0.642 -0.919 -10.908 353 HG3 PRO 53 2HG PRO 53 0.251 -1.843 -9.686 354 HD2 PRO 53 1HD PRO 53 1.082 0.574 -10.581 355 HD3 PRO 53 2HD PRO 53 2.213 -0.696 -10.072 356 H LYS 54 H LYS 54 1.235 -2.488 -15.240 357 HA LYS 54 HA LYS 54 -0.555 -0.503 -16.247 358 HB2 LYS 54 1HB LYS 54 0.658 -2.997 -17.418 359 HB3 LYS 54 2HB LYS 54 -0.510 -2.032 -18.311 360 HG2 LYS 54 1HG LYS 54 2.000 -0.852 -17.164 361 HG3 LYS 54 2HG LYS 54 1.941 -1.587 -18.768 362 HD2 LYS 54 1HD LYS 54 0.395 0.016 -19.553 363 HD3 LYS 54 2HD LYS 54 0.042 0.587 -17.921 364 HE2 LYS 54 1HE LYS 54 1.442 2.243 -18.704 365 HE3 LYS 54 2HE LYS 54 2.578 1.178 -17.876 366 HZ1 LYS 54 1HZ LYS 54 2.607 1.973 -20.549 367 HZ2 LYS 54 2HZ LYS 54 2.296 0.311 -20.529 368 HZ3 LYS 54 3HZ LYS 54 3.675 0.922 -19.764 369 H GLY 55 H GLY 55 -2.589 -1.017 -17.381 370 HA2 GLY 55 1HA GLY 55 -4.589 -2.200 -17.638 371 HA3 GLY 55 2HA GLY 55 -3.979 -3.426 -16.537 372 H LYS 56 H LYS 56 -4.784 -3.473 -14.541 373 HA LYS 56 HA LYS 56 -5.920 -1.029 -13.396 374 HB2 LYS 56 1HB LYS 56 -7.904 -2.333 -12.614 375 HB3 LYS 56 2HB LYS 56 -7.838 -2.104 -14.357 376 HG2 LYS 56 1HG LYS 56 -6.737 -4.418 -14.421 377 HG3 LYS 56 2HG LYS 56 -7.336 -4.593 -12.770 378 HD2 LYS 56 1HD LYS 56 -9.620 -4.018 -13.647 379 HD3 LYS 56 2HD LYS 56 -8.947 -4.127 -15.275 380 HE2 LYS 56 1HE LYS 56 -8.200 -6.461 -14.680 381 HE3 LYS 56 2HE LYS 56 -9.166 -6.311 -13.213 382 HZ1 LYS 56 1HZ LYS 56 -11.048 -6.632 -14.341 383 HZ2 LYS 56 2HZ LYS 56 -10.071 -7.223 -15.588 384 HZ3 LYS 56 3HZ LYS 56 -10.592 -5.614 -15.613 385 H TRP 57 H TRP 57 -5.384 -0.759 -11.323 386 HA TRP 57 HA TRP 57 -4.375 -3.099 -9.841 387 HB2 TRP 57 1HB TRP 57 -2.565 -1.537 -10.459 388 HB3 TRP 57 2HB TRP 57 -3.416 -0.236 -9.630 389 HD1 TRP 57 HD1 TRP 57 -1.123 -3.171 -9.006 390 HE1 TRP 57 HE1 TRP 57 -0.470 -3.229 -6.517 391 HE3 TRP 57 HE3 TRP 57 -4.380 0.347 -7.230 392 HZ2 TRP 57 HZ2 TRP 57 -1.234 -1.952 -4.118 393 HZ3 TRP 57 HZ3 TRP 57 -4.355 0.870 -4.826 394 HH2 TRP 57 HH2 TRP 57 -2.815 -0.258 -3.304 395 H TYR 58 H TYR 58 -5.558 -3.603 -8.130 396 HA TYR 58 HA TYR 58 -7.242 -1.519 -6.916 397 HB2 TYR 58 1HB TYR 58 -7.542 -4.518 -7.047 398 HB3 TYR 58 2HB TYR 58 -8.507 -3.516 -5.969 399 HD1 TYR 58 HD1 TYR 58 -7.732 -4.186 -9.525 400 HD2 TYR 58 HD2 TYR 58 -10.377 -2.304 -6.774 401 HE1 TYR 58 HE1 TYR 58 -9.325 -3.768 -11.352 402 HE2 TYR 58 HE2 TYR 58 -11.978 -1.882 -8.593 403 HH TYR 58 HH TYR 58 -11.403 -1.751 -11.554 404 H CYS 59 H CYS 59 -7.036 -1.003 -4.811 405 HA CYS 59 HA CYS 59 -4.699 -1.569 -3.409 406 HB2 CYS 59 1HB CYS 59 -5.679 -0.424 -1.555 407 HB3 CYS 59 2HB CYS 59 -6.272 0.362 -3.015 408 HA PRO 60 HA PRO 60 -5.290 -5.472 -1.489 409 HB2 PRO 60 1HB PRO 60 -3.999 -5.101 0.871 410 HB3 PRO 60 2HB PRO 60 -3.152 -5.260 -0.672 411 HG2 PRO 60 1HG PRO 60 -3.843 -2.785 0.863 412 HG3 PRO 60 2HG PRO 60 -2.334 -3.199 0.029 413 HD2 PRO 60 1HD PRO 60 -4.190 -1.548 -1.050 414 HD3 PRO 60 2HD PRO 60 -3.169 -2.613 -2.038 415 H LYS 61 H LYS 61 -6.896 -2.768 -0.488 416 HA LYS 61 HA LYS 61 -8.088 -3.995 1.883 417 HB2 LYS 61 1HB LYS 61 -7.943 -1.242 0.777 418 HB3 LYS 61 2HB LYS 61 -9.386 -1.656 1.693 419 HG2 LYS 61 1HG LYS 61 -7.704 -2.510 3.472 420 HG3 LYS 61 2HG LYS 61 -6.548 -1.495 2.606 421 HD2 LYS 61 1HD LYS 61 -8.103 0.421 2.886 422 HD3 LYS 61 2HD LYS 61 -9.148 -0.614 3.861 423 HE2 LYS 61 1HE LYS 61 -6.280 -0.416 4.613 424 HE3 LYS 61 2HE LYS 61 -7.319 0.967 4.950 425 HZ1 LYS 61 1HZ LYS 61 -7.383 -1.729 6.094 426 HZ2 LYS 61 2HZ LYS 61 -8.847 -0.896 5.940 427 HZ3 LYS 61 3HZ LYS 61 -7.588 -0.230 6.852 428 H CYS 62 H CYS 62 -8.858 -3.051 -1.403 429 HA CYS 62 HA CYS 62 -11.653 -3.807 -1.072 430 HB2 CYS 62 1HB CYS 62 -10.179 -2.784 -3.508 431 HB3 CYS 62 2HB CYS 62 -11.918 -3.028 -3.389 432 H ARG 63 H ARG 63 -8.704 -4.952 -2.583 433 HA ARG 63 HA ARG 63 -9.979 -7.069 -4.038 434 HB2 ARG 63 1HB ARG 63 -8.025 -6.685 -5.106 435 HB3 ARG 63 2HB ARG 63 -7.244 -6.060 -3.659 436 HG2 ARG 63 1HG ARG 63 -6.663 -8.219 -2.918 437 HG3 ARG 63 2HG ARG 63 -7.740 -8.990 -4.084 438 HD2 ARG 63 1HD ARG 63 -6.266 -7.828 -5.859 439 HD3 ARG 63 2HD ARG 63 -5.103 -7.645 -4.547 440 HE ARG 63 HE ARG 63 -5.845 -10.094 -5.894 441 HH11 ARG 63 1HH1 ARG 63 -4.349 -8.643 -3.105 442 HH12 ARG 63 2HH1 ARG 63 -3.415 -10.048 -2.712 443 HH21 ARG 63 1HH2 ARG 63 -4.620 -11.951 -5.387 444 HH22 ARG 63 2HH2 ARG 63 -3.569 -11.929 -4.012 445 H GLY 64 H GLY 64 -8.578 -6.681 -0.871 446 HA2 GLY 64 1HA GLY 64 -8.638 -9.563 -0.377 447 HA3 GLY 64 2HA GLY 64 -7.986 -8.338 0.702 448 H ASP 65 H ASP 65 -9.087 -8.252 2.531 449 HA ASP 65 HA ASP 65 -11.983 -8.025 2.455 450 HB2 ASP 65 1HB ASP 65 -10.520 -10.345 3.640 451 HB3 ASP 65 2HB ASP 65 -11.961 -9.750 4.461 452 H SER 66 H SER 66 -12.453 -6.316 3.653 453 HA SER 66 HA SER 66 -10.592 -5.368 5.660 454 HB2 SER 66 1HB SER 66 -12.154 -3.432 5.821 455 HB3 SER 66 2HB SER 66 -11.586 -3.724 4.177 456 HG SER 66 HG SER 66 -13.939 -4.994 4.943 457 H GLY 67 H GLY 67 -10.684 -5.986 7.709 458 HA2 GLY 67 1HA GLY 67 -12.404 -5.789 9.633 459 HA3 GLY 67 2HA GLY 67 -13.215 -7.070 8.744 460 HA PRO 68 HA PRO 68 -9.049 -8.932 10.377 461 HB2 PRO 68 1HB PRO 68 -7.714 -7.442 12.212 462 HB3 PRO 68 2HB PRO 68 -7.413 -7.322 10.475 463 HG2 PRO 68 1HG PRO 68 -9.070 -5.558 12.237 464 HG3 PRO 68 2HG PRO 68 -7.936 -5.107 10.950 465 HD2 PRO 68 1HD PRO 68 -10.618 -5.151 10.580 466 HD3 PRO 68 2HD PRO 68 -9.469 -5.527 9.280 467 H SER 69 H SER 69 -11.385 -7.221 12.221 468 HA SER 69 HA SER 69 -10.913 -8.507 14.730 469 HB2 SER 69 1HB SER 69 -13.429 -7.141 13.744 470 HB3 SER 69 2HB SER 69 -13.028 -7.511 15.421 471 HG SER 69 HG SER 69 -11.567 -5.929 15.444 472 H SER 70 H SER 70 -10.867 -10.717 14.409 473 HA SER 70 HA SER 70 -13.227 -12.001 13.256 474 HB2 SER 70 1HB SER 70 -10.797 -12.652 12.684 475 HB3 SER 70 2HB SER 70 -10.776 -13.434 14.265 476 HG SER 70 HG SER 70 -11.551 -15.031 13.097 477 H GLY 71 H GLY 71 -13.647 -10.706 15.704 478 HA2 GLY 71 1HA GLY 71 -14.447 -11.046 17.834 479 HA3 GLY 71 2HA GLY 71 -15.059 -12.553 17.169 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 28.203 -2.554 -9.608 2 HA2 GLY 1 1HA GLY 1 29.772 -1.879 -7.198 3 HA3 GLY 1 2HA GLY 1 29.440 -0.682 -8.441 4 H SER 2 H SER 2 28.649 0.257 -6.234 5 HA SER 2 HA SER 2 25.760 0.114 -6.315 6 HB2 SER 2 1HB SER 2 27.287 -0.593 -3.798 7 HB3 SER 2 2HB SER 2 25.554 -0.275 -3.864 8 HG SER 2 HG SER 2 25.242 -2.199 -4.656 9 H SER 3 H SER 3 24.735 1.858 -5.175 10 HA SER 3 HA SER 3 26.357 3.912 -3.969 11 HB2 SER 3 1HB SER 3 25.371 4.141 -6.769 12 HB3 SER 3 2HB SER 3 25.243 5.573 -5.747 13 HG SER 3 HG SER 3 27.371 5.734 -5.672 14 H GLY 4 H GLY 4 25.131 5.504 -2.892 15 HA2 GLY 4 1HA GLY 4 22.418 5.978 -3.073 16 HA3 GLY 4 2HA GLY 4 22.578 4.600 -1.995 17 H SER 5 H SER 5 21.865 7.611 -1.757 18 HA SER 5 HA SER 5 23.520 8.067 0.636 19 HB2 SER 5 1HB SER 5 22.521 10.201 -1.266 20 HB3 SER 5 2HB SER 5 23.488 10.468 0.185 21 HG SER 5 HG SER 5 24.308 9.854 -2.289 22 H SER 6 H SER 6 22.499 9.033 2.405 23 HA SER 6 HA SER 6 19.629 8.604 2.485 24 HB2 SER 6 1HB SER 6 21.526 9.438 4.693 25 HB3 SER 6 2HB SER 6 19.850 8.929 4.901 26 HG SER 6 HG SER 6 21.664 7.320 5.182 27 H GLY 7 H GLY 7 18.354 10.269 3.843 28 HA2 GLY 7 1HA GLY 7 19.208 13.017 3.544 29 HA3 GLY 7 2HA GLY 7 17.899 12.549 2.469 30 H GLU 8 H GLU 8 16.096 13.435 3.242 31 HA GLU 8 HA GLU 8 15.115 12.627 5.819 32 HB2 GLU 8 1HB GLU 8 16.482 14.512 6.514 33 HB3 GLU 8 2HB GLU 8 15.730 15.540 5.302 34 HG2 GLU 8 1HG GLU 8 13.551 15.187 6.472 35 HG3 GLU 8 2HG GLU 8 14.443 14.364 7.751 36 H PHE 9 H PHE 9 12.884 13.036 6.095 37 HA PHE 9 HA PHE 9 11.513 13.984 3.665 38 HB2 PHE 9 1HB PHE 9 10.375 11.872 5.482 39 HB3 PHE 9 2HB PHE 9 9.913 12.262 3.828 40 HD1 PHE 9 HD2 PHE 9 12.335 10.527 5.947 41 HD2 PHE 9 HD1 PHE 9 11.172 11.424 1.953 42 HE1 PHE 9 HE2 PHE 9 13.828 8.756 5.119 43 HE2 PHE 9 HE1 PHE 9 12.662 9.653 1.117 44 HZ PHE 9 HZ PHE 9 13.994 8.317 2.701 45 H ALA 10 H ALA 10 10.546 15.849 4.096 46 HA ALA 10 HA ALA 10 9.981 16.837 6.658 47 HB1 ALA 10 1HB ALA 10 8.859 18.645 5.566 48 HB2 ALA 10 2HB ALA 10 10.265 18.208 4.594 49 HB3 ALA 10 3HB ALA 10 8.654 17.696 4.093 50 H ILE 11 H ILE 11 8.770 15.412 7.876 51 HA ILE 11 HA ILE 11 6.322 14.272 6.942 52 HB ILE 11 HB ILE 11 7.373 14.514 9.763 53 HG12 ILE 11 1HG1 ILE 11 7.423 12.080 7.983 54 HG13 ILE 11 2HG1 ILE 11 8.756 13.228 8.036 55 HG21 ILE 11 1HG2 ILE 11 5.083 12.961 8.587 56 HG22 ILE 11 2HG2 ILE 11 5.818 12.552 10.136 57 HG23 ILE 11 3HG2 ILE 11 5.050 14.123 9.913 58 HD11 ILE 11 1HD1 ILE 11 8.261 12.640 10.694 59 HD12 ILE 11 2HD1 ILE 11 8.079 11.097 9.857 60 HD13 ILE 11 3HD1 ILE 11 9.576 12.017 9.697 61 H ASP 12 H ASP 12 4.541 15.416 6.613 62 HA ASP 12 HA ASP 12 4.042 17.812 8.219 63 HB2 ASP 12 1HB ASP 12 2.648 16.810 5.727 64 HB3 ASP 12 2HB ASP 12 2.329 18.343 6.534 65 HA PRO 13 HA PRO 13 1.247 15.275 10.634 66 HB2 PRO 13 1HB PRO 13 0.674 17.210 12.449 67 HB3 PRO 13 2HB PRO 13 2.168 16.267 12.490 68 HG2 PRO 13 1HG PRO 13 1.696 19.020 11.415 69 HG3 PRO 13 2HG PRO 13 3.049 18.417 12.388 70 HD2 PRO 13 1HD PRO 13 3.217 18.747 9.706 71 HD3 PRO 13 2HD PRO 13 4.101 17.471 10.568 72 H ASN 14 H ASN 14 0.478 18.696 9.957 73 HA ASN 14 HA ASN 14 -2.262 18.588 10.241 74 HB2 ASN 14 1HB ASN 14 -0.496 20.252 8.461 75 HB3 ASN 14 2HB ASN 14 -2.246 20.452 8.451 76 HD21 ASN 14 1HD2 ASN 14 -3.069 20.391 10.907 77 HD22 ASN 14 2HD2 ASN 14 -2.285 21.564 11.905 78 H GLU 15 H GLU 15 -0.495 18.298 7.152 79 HA GLU 15 HA GLU 15 -2.527 17.734 5.444 80 HB2 GLU 15 1HB GLU 15 0.304 16.825 5.591 81 HB3 GLU 15 2HB GLU 15 -0.749 16.025 4.433 82 HG2 GLU 15 1HG GLU 15 -0.714 18.994 4.492 83 HG3 GLU 15 2HG GLU 15 0.660 18.146 3.783 84 HA PRO 16 HA PRO 16 -4.466 14.025 6.815 85 HB2 PRO 16 1HB PRO 16 -5.654 13.295 4.485 86 HB3 PRO 16 2HB PRO 16 -6.232 14.638 5.479 87 HG2 PRO 16 1HG PRO 16 -4.522 14.698 3.022 88 HG3 PRO 16 2HG PRO 16 -5.883 15.745 3.464 89 HD2 PRO 16 1HD PRO 16 -3.302 16.505 3.767 90 HD3 PRO 16 2HD PRO 16 -4.591 17.047 4.860 91 H THR 17 H THR 17 -4.778 11.687 5.949 92 HA THR 17 HA THR 17 -2.374 10.766 4.535 93 HB THR 17 HB THR 17 -2.022 8.960 6.120 94 HG1 THR 17 HG1 THR 17 -4.141 10.141 7.623 95 HG21 THR 17 1HG2 THR 17 -0.646 10.444 7.067 96 HG22 THR 17 2HG2 THR 17 -1.921 10.746 8.248 97 HG23 THR 17 3HG2 THR 17 -1.787 11.764 6.814 98 H TYR 18 H TYR 18 -2.744 9.198 3.079 99 HA TYR 18 HA TYR 18 -5.465 8.097 2.947 100 HB2 TYR 18 1HB TYR 18 -3.379 8.236 0.762 101 HB3 TYR 18 2HB TYR 18 -5.053 7.725 0.578 102 HD1 TYR 18 HD2 TYR 18 -3.097 10.670 1.795 103 HD2 TYR 18 HD1 TYR 18 -6.570 9.269 -0.223 104 HE1 TYR 18 HE2 TYR 18 -3.745 12.992 1.311 105 HE2 TYR 18 HE1 TYR 18 -7.228 11.587 -0.714 106 HH TYR 18 HH TYR 18 -5.120 14.223 -0.292 107 H CYS 19 H CYS 19 -2.188 7.052 1.993 108 HA CYS 19 HA CYS 19 -2.523 4.382 1.773 109 HB2 CYS 19 1HB CYS 19 -0.362 5.826 1.650 110 HB3 CYS 19 2HB CYS 19 -0.170 5.391 3.345 111 H LEU 20 H LEU 20 -2.075 2.569 3.221 112 HA LEU 20 HA LEU 20 -3.702 2.610 5.508 113 HB2 LEU 20 1HB LEU 20 -1.504 0.627 4.973 114 HB3 LEU 20 2HB LEU 20 -2.983 0.377 5.898 115 HG LEU 20 HG LEU 20 -3.169 1.021 2.988 116 HD11 LEU 20 1HD1 LEU 20 -3.207 -1.544 2.703 117 HD12 LEU 20 2HD1 LEU 20 -2.265 -1.564 4.193 118 HD13 LEU 20 3HD1 LEU 20 -1.651 -0.717 2.773 119 HD21 LEU 20 1HD2 LEU 20 -5.117 -0.583 3.272 120 HD22 LEU 20 2HD2 LEU 20 -5.244 0.971 4.098 121 HD23 LEU 20 3HD2 LEU 20 -4.815 -0.479 5.006 122 H CYS 21 H CYS 21 -0.231 2.999 5.092 123 HA CYS 21 HA CYS 21 0.489 2.817 7.815 124 HB2 CYS 21 1HB CYS 21 2.574 3.949 7.123 125 HB3 CYS 21 2HB CYS 21 2.151 2.621 6.047 126 H ASN 22 H ASN 22 -1.423 5.055 6.294 127 HA ASN 22 HA ASN 22 -2.233 7.108 6.844 128 HB2 ASN 22 1HB ASN 22 -1.106 6.396 9.561 129 HB3 ASN 22 2HB ASN 22 -2.251 7.696 9.243 130 HD21 ASN 22 1HD2 ASN 22 -4.379 7.191 8.711 131 HD22 ASN 22 2HD2 ASN 22 -5.050 5.628 9.014 132 H GLN 23 H GLN 23 -0.010 7.386 5.456 133 HA GLN 23 HA GLN 23 1.480 9.504 6.861 134 HB2 GLN 23 1HB GLN 23 2.467 7.338 5.034 135 HB3 GLN 23 2HB GLN 23 3.348 8.854 5.172 136 HG2 GLN 23 1HG GLN 23 2.628 7.216 7.577 137 HG3 GLN 23 2HG GLN 23 4.092 6.917 6.641 138 HE21 GLN 23 1HE2 GLN 23 5.844 8.062 7.105 139 HE22 GLN 23 2HE2 GLN 23 5.891 9.459 8.120 140 H VAL 24 H VAL 24 2.296 11.224 5.504 141 HA VAL 24 HA VAL 24 0.359 12.139 3.641 142 HB VAL 24 HB VAL 24 1.837 14.050 3.287 143 HG11 VAL 24 1HG1 VAL 24 0.412 13.800 5.362 144 HG12 VAL 24 2HG1 VAL 24 1.893 13.354 6.213 145 HG13 VAL 24 3HG1 VAL 24 1.746 14.948 5.471 146 HG21 VAL 24 1HG2 VAL 24 3.979 14.060 4.726 147 HG22 VAL 24 2HG2 VAL 24 3.827 12.303 4.692 148 HG23 VAL 24 3HG2 VAL 24 4.003 13.202 3.185 149 H SER 25 H SER 25 0.284 12.026 1.476 150 HA SER 25 HA SER 25 1.459 10.137 -0.037 151 HB2 SER 25 1HB SER 25 -0.246 11.358 -1.090 152 HB3 SER 25 2HB SER 25 0.545 12.904 -0.784 153 HG SER 25 HG SER 25 1.658 10.923 -2.472 154 H TYR 26 H TYR 26 3.278 9.876 -1.310 155 HA TYR 26 HA TYR 26 5.242 11.855 -1.738 156 HB2 TYR 26 1HB TYR 26 6.918 11.341 -0.184 157 HB3 TYR 26 2HB TYR 26 5.448 11.342 0.783 158 HD1 TYR 26 HD1 TYR 26 8.056 9.237 -0.722 159 HD2 TYR 26 HD2 TYR 26 4.599 9.307 1.758 160 HE1 TYR 26 HE1 TYR 26 8.566 6.956 0.044 161 HE2 TYR 26 HE2 TYR 26 5.101 7.027 2.531 162 HH TYR 26 HH TYR 26 6.758 4.942 1.158 163 H GLY 27 H GLY 27 7.106 11.042 -2.879 164 HA2 GLY 27 1HA GLY 27 8.116 9.687 -4.433 165 HA3 GLY 27 2HA GLY 27 7.568 8.336 -3.452 166 H GLU 28 H GLU 28 6.557 6.907 -4.686 167 HA GLU 28 HA GLU 28 4.871 7.886 -6.887 168 HB2 GLU 28 1HB GLU 28 6.490 5.422 -6.469 169 HB3 GLU 28 2HB GLU 28 5.026 5.283 -7.431 170 HG2 GLU 28 1HG GLU 28 6.962 7.455 -8.053 171 HG3 GLU 28 2HG GLU 28 7.327 5.804 -8.551 172 H MET 29 H MET 29 2.736 7.412 -6.988 173 HA MET 29 HA MET 29 1.609 5.533 -5.047 174 HB2 MET 29 1HB MET 29 1.073 8.459 -5.204 175 HB3 MET 29 2HB MET 29 -0.282 7.394 -4.854 176 HG2 MET 29 1HG MET 29 1.082 6.435 -2.983 177 HG3 MET 29 2HG MET 29 2.250 7.721 -3.272 178 HE1 MET 29 1HE MET 29 -1.485 7.004 -1.779 179 HE2 MET 29 2HE MET 29 0.046 6.561 -1.023 180 HE3 MET 29 3HE MET 29 -0.925 7.870 -0.348 181 H ILE 30 H ILE 30 -0.349 4.598 -5.665 182 HA ILE 30 HA ILE 30 -1.125 5.106 -8.463 183 HB ILE 30 HB ILE 30 -1.679 2.825 -8.741 184 HG12 ILE 30 1HG1 ILE 30 -2.751 2.508 -6.530 185 HG13 ILE 30 2HG1 ILE 30 -1.669 1.183 -6.944 186 HG21 ILE 30 1HG2 ILE 30 0.633 1.977 -7.333 187 HG22 ILE 30 2HG2 ILE 30 0.462 2.340 -9.050 188 HG23 ILE 30 3HG2 ILE 30 0.921 3.615 -7.921 189 HD11 ILE 30 1HD1 ILE 30 -1.013 1.502 -4.809 190 HD12 ILE 30 2HD1 ILE 30 0.037 2.697 -5.571 191 HD13 ILE 30 3HD1 ILE 30 -1.468 3.206 -4.805 192 H GLY 31 H GLY 31 -3.354 4.918 -9.011 193 HA2 GLY 31 1HA GLY 31 -5.115 5.556 -6.741 194 HA3 GLY 31 2HA GLY 31 -5.402 6.017 -8.412 195 H CYS 32 H CYS 32 -5.906 3.652 -5.989 196 HA CYS 32 HA CYS 32 -6.420 1.299 -7.153 197 HB2 CYS 32 1HB CYS 32 -6.941 1.610 -4.834 198 HB3 CYS 32 2HB CYS 32 -8.198 2.783 -5.215 199 H ASP 33 H ASP 33 -7.501 0.579 -8.858 200 HA ASP 33 HA ASP 33 -8.892 2.118 -10.653 201 HB2 ASP 33 1HB ASP 33 -8.052 -0.324 -10.846 202 HB3 ASP 33 2HB ASP 33 -9.637 -0.762 -10.215 203 H ASN 34 H ASN 34 -10.142 0.399 -7.843 204 HA ASN 34 HA ASN 34 -12.886 0.802 -8.390 205 HB2 ASN 34 1HB ASN 34 -11.901 -0.850 -6.744 206 HB3 ASN 34 2HB ASN 34 -11.643 0.508 -5.653 207 HD21 ASN 34 1HD2 ASN 34 -13.065 0.180 -4.078 208 HD22 ASN 34 2HD2 ASN 34 -14.766 -0.026 -4.296 209 H GLU 35 H GLU 35 -13.629 2.807 -8.753 210 HA GLU 35 HA GLU 35 -12.629 5.187 -7.732 211 HB2 GLU 35 1HB GLU 35 -14.191 5.022 -9.644 212 HB3 GLU 35 2HB GLU 35 -15.486 4.606 -8.531 213 HG2 GLU 35 1HG GLU 35 -13.993 7.125 -8.055 214 HG3 GLU 35 2HG GLU 35 -15.130 7.068 -9.401 215 H GLN 36 H GLN 36 -15.544 3.445 -6.633 216 HA GLN 36 HA GLN 36 -16.415 4.897 -4.571 217 HB2 GLN 36 1HB GLN 36 -15.997 1.919 -4.689 218 HB3 GLN 36 2HB GLN 36 -16.794 2.688 -3.323 219 HG2 GLN 36 1HG GLN 36 -18.504 3.580 -4.800 220 HG3 GLN 36 2HG GLN 36 -17.694 2.859 -6.190 221 HE21 GLN 36 1HE2 GLN 36 -19.026 1.969 -3.028 222 HE22 GLN 36 2HE2 GLN 36 -19.686 0.456 -3.539 223 H CYS 37 H CYS 37 -13.511 2.882 -4.479 224 HA CYS 37 HA CYS 37 -12.747 2.832 -1.916 225 HB2 CYS 37 1HB CYS 37 -11.421 2.284 -4.115 226 HB3 CYS 37 2HB CYS 37 -10.729 3.884 -3.864 227 HA PRO 38 HA PRO 38 -13.022 7.105 -0.633 228 HB2 PRO 38 1HB PRO 38 -12.442 6.623 1.975 229 HB3 PRO 38 2HB PRO 38 -14.034 6.314 1.273 230 HG2 PRO 38 1HG PRO 38 -11.801 4.397 1.821 231 HG3 PRO 38 2HG PRO 38 -13.540 4.199 2.104 232 HD2 PRO 38 1HD PRO 38 -12.280 3.118 -0.035 233 HD3 PRO 38 2HD PRO 38 -13.967 3.670 -0.099 234 H ILE 39 H ILE 39 -10.327 5.017 -0.659 235 HA ILE 39 HA ILE 39 -8.517 7.156 0.226 236 HB ILE 39 HB ILE 39 -7.988 4.207 -0.154 237 HG12 ILE 39 1HG1 ILE 39 -7.954 5.825 2.395 238 HG13 ILE 39 2HG1 ILE 39 -9.373 4.945 1.839 239 HG21 ILE 39 1HG2 ILE 39 -6.174 6.320 -0.296 240 HG22 ILE 39 2HG2 ILE 39 -5.978 5.648 1.322 241 HG23 ILE 39 3HG2 ILE 39 -5.803 4.609 -0.092 242 HD11 ILE 39 1HD1 ILE 39 -7.705 3.889 3.556 243 HD12 ILE 39 2HD1 ILE 39 -8.453 2.906 2.296 244 HD13 ILE 39 3HD1 ILE 39 -6.799 3.484 2.098 245 H GLU 40 H GLU 40 -8.773 4.667 -2.316 246 HA GLU 40 HA GLU 40 -7.729 4.531 -4.363 247 HB2 GLU 40 1HB GLU 40 -9.761 6.236 -4.438 248 HB3 GLU 40 2HB GLU 40 -8.481 7.382 -4.812 249 HG2 GLU 40 1HG GLU 40 -7.778 5.752 -6.636 250 HG3 GLU 40 2HG GLU 40 -9.332 4.965 -6.366 251 H TRP 41 H TRP 41 -5.888 5.247 -2.335 252 HA TRP 41 HA TRP 41 -3.799 6.343 -3.960 253 HB2 TRP 41 1HB TRP 41 -4.774 7.926 -1.574 254 HB3 TRP 41 2HB TRP 41 -3.248 8.215 -2.403 255 HD1 TRP 41 HD1 TRP 41 -6.638 9.490 -2.332 256 HE1 TRP 41 HE1 TRP 41 -7.210 10.787 -4.481 257 HE3 TRP 41 HE3 TRP 41 -2.768 7.920 -5.282 258 HZ2 TRP 41 HZ2 TRP 41 -6.160 11.102 -7.082 259 HZ3 TRP 41 HZ3 TRP 41 -2.625 8.766 -7.588 260 HH2 TRP 41 HH2 TRP 41 -4.287 10.323 -8.468 261 H PHE 42 H PHE 42 -2.180 5.011 -3.525 262 HA PHE 42 HA PHE 42 -1.437 4.512 -0.752 263 HB2 PHE 42 1HB PHE 42 -1.875 2.261 -2.725 264 HB3 PHE 42 2HB PHE 42 -1.267 2.094 -1.081 265 HD1 PHE 42 HD2 PHE 42 -2.755 2.430 0.834 266 HD2 PHE 42 HD1 PHE 42 -4.200 2.565 -3.167 267 HE1 PHE 42 HE2 PHE 42 -5.058 2.179 1.661 268 HE2 PHE 42 HE1 PHE 42 -6.506 2.315 -2.346 269 HZ PHE 42 HZ PHE 42 -6.938 2.121 0.071 270 H HIS 43 H HIS 43 0.730 3.666 -0.519 271 HA HIS 43 HA HIS 43 2.494 4.715 -2.559 272 HB2 HIS 43 1HB HIS 43 3.209 3.358 0.047 273 HB3 HIS 43 2HB HIS 43 4.275 4.334 -0.959 274 HD2 HIS 43 HD2 HIS 43 2.397 6.977 -1.315 275 HE1 HIS 43 HE1 HIS 43 2.310 6.999 2.927 276 HE2 HIS 43 HE2 HIS 43 1.846 8.314 0.830 277 H PHE 44 H PHE 44 4.439 3.431 -3.209 278 HA PHE 44 HA PHE 44 3.570 0.901 -4.271 279 HB2 PHE 44 1HB PHE 44 6.087 2.531 -4.552 280 HB3 PHE 44 2HB PHE 44 5.959 0.909 -5.224 281 HD1 PHE 44 HD2 PHE 44 3.499 3.701 -5.075 282 HD2 PHE 44 HD1 PHE 44 5.847 1.122 -7.514 283 HE1 PHE 44 HE2 PHE 44 2.419 4.624 -7.084 284 HE2 PHE 44 HE1 PHE 44 4.772 2.041 -9.528 285 HZ PHE 44 HZ PHE 44 3.055 3.793 -9.314 286 H SER 45 H SER 45 6.501 1.826 -2.457 287 HA SER 45 HA SER 45 7.474 -0.622 -1.809 288 HB2 SER 45 1HB SER 45 8.263 1.790 -1.128 289 HB3 SER 45 2HB SER 45 7.383 1.444 0.361 290 HG SER 45 HG SER 45 8.694 -0.622 0.255 291 H CYS 46 H CYS 46 4.832 1.071 -0.184 292 HA CYS 46 HA CYS 46 4.475 -0.775 1.917 293 HB2 CYS 46 1HB CYS 46 2.730 1.312 0.647 294 HB3 CYS 46 2HB CYS 46 2.067 0.224 1.861 295 H VAL 47 H VAL 47 2.758 -0.425 -1.184 296 HA VAL 47 HA VAL 47 1.356 -2.926 -0.778 297 HB VAL 47 HB VAL 47 0.350 -2.485 -2.984 298 HG11 VAL 47 1HG1 VAL 47 -0.525 -0.072 -2.268 299 HG12 VAL 47 2HG1 VAL 47 -1.011 -1.544 -1.426 300 HG13 VAL 47 3HG1 VAL 47 0.268 -0.528 -0.761 301 HG21 VAL 47 1HG2 VAL 47 2.484 -0.444 -3.065 302 HG22 VAL 47 2HG2 VAL 47 1.757 -1.378 -4.372 303 HG23 VAL 47 3HG2 VAL 47 0.917 0.030 -3.723 304 H SER 48 H SER 48 4.301 -2.914 -1.007 305 HA SER 48 HA SER 48 6.011 -3.934 -2.146 306 HB2 SER 48 1HB SER 48 4.723 -5.815 -1.109 307 HB3 SER 48 2HB SER 48 3.867 -6.013 -2.638 308 HG SER 48 HG SER 48 6.233 -6.094 -3.443 309 H LEU 49 H LEU 49 5.210 -2.034 -3.774 310 HA LEU 49 HA LEU 49 4.881 -3.317 -6.406 311 HB2 LEU 49 1HB LEU 49 3.778 -0.838 -5.234 312 HB3 LEU 49 2HB LEU 49 4.273 -0.754 -6.923 313 HG LEU 49 HG LEU 49 2.264 -2.699 -5.787 314 HD11 LEU 49 1HD1 LEU 49 1.973 0.024 -6.420 315 HD12 LEU 49 2HD1 LEU 49 0.705 -1.151 -6.074 316 HD13 LEU 49 3HD1 LEU 49 1.227 -0.882 -7.737 317 HD21 LEU 49 1HD2 LEU 49 2.330 -2.231 -8.665 318 HD22 LEU 49 2HD2 LEU 49 2.235 -3.744 -7.762 319 HD23 LEU 49 3HD2 LEU 49 3.800 -2.979 -8.041 320 H THR 50 H THR 50 6.217 -2.701 -8.089 321 HA THR 50 HA THR 50 8.650 -1.273 -7.269 322 HB THR 50 HB THR 50 8.232 -3.097 -9.646 323 HG1 THR 50 HG1 THR 50 9.875 -3.707 -7.442 324 HG21 THR 50 1HG2 THR 50 10.357 -2.676 -10.297 325 HG22 THR 50 2HG2 THR 50 10.940 -2.497 -8.643 326 HG23 THR 50 3HG2 THR 50 10.106 -1.160 -9.434 327 H TYR 51 H TYR 51 6.156 -1.386 -9.757 328 HA TYR 51 HA TYR 51 6.604 1.393 -10.378 329 HB2 TYR 51 1HB TYR 51 6.871 0.941 -12.840 330 HB3 TYR 51 2HB TYR 51 8.261 0.500 -11.854 331 HD1 TYR 51 HD1 TYR 51 8.777 -1.870 -11.427 332 HD2 TYR 51 HD2 TYR 51 5.603 -0.722 -14.017 333 HE1 TYR 51 HE1 TYR 51 8.719 -4.147 -12.355 334 HE2 TYR 51 HE2 TYR 51 5.535 -2.996 -14.951 335 HH TYR 51 HH TYR 51 7.546 -5.583 -13.639 336 H LYS 52 H LYS 52 4.951 2.274 -11.788 337 HA LYS 52 HA LYS 52 2.385 1.583 -11.148 338 HB2 LYS 52 1HB LYS 52 3.063 3.691 -12.269 339 HB3 LYS 52 2HB LYS 52 3.260 2.802 -13.774 340 HG2 LYS 52 1HG LYS 52 1.167 3.788 -13.973 341 HG3 LYS 52 2HG LYS 52 0.805 2.133 -13.478 342 HD2 LYS 52 1HD LYS 52 0.721 2.996 -11.104 343 HD3 LYS 52 2HD LYS 52 0.777 4.624 -11.784 344 HE2 LYS 52 1HE LYS 52 -1.511 4.105 -11.405 345 HE3 LYS 52 2HE LYS 52 -1.243 4.016 -13.146 346 HZ1 LYS 52 1HZ LYS 52 -1.402 1.731 -13.142 347 HZ2 LYS 52 2HZ LYS 52 -2.555 2.151 -11.978 348 HZ3 LYS 52 3HZ LYS 52 -1.035 1.585 -11.496 349 HA PRO 53 HA PRO 53 2.015 -2.320 -13.322 350 HB2 PRO 53 1HB PRO 53 -0.427 -2.930 -12.305 351 HB3 PRO 53 2HB PRO 53 1.074 -3.147 -11.396 352 HG2 PRO 53 1HG PRO 53 -0.920 -0.918 -11.257 353 HG3 PRO 53 2HG PRO 53 -0.087 -1.758 -9.936 354 HD2 PRO 53 1HD PRO 53 0.700 0.668 -10.844 355 HD3 PRO 53 2HD PRO 53 1.844 -0.528 -10.202 356 H LYS 54 H LYS 54 1.479 -2.374 -15.404 357 HA LYS 54 HA LYS 54 -0.336 -0.561 -16.607 358 HB2 LYS 54 1HB LYS 54 1.679 -1.843 -17.637 359 HB3 LYS 54 2HB LYS 54 0.515 -3.135 -17.898 360 HG2 LYS 54 1HG LYS 54 0.209 -2.108 -19.868 361 HG3 LYS 54 2HG LYS 54 -0.846 -1.050 -18.929 362 HD2 LYS 54 1HD LYS 54 2.068 -0.424 -19.126 363 HD3 LYS 54 2HD LYS 54 1.002 -0.037 -20.480 364 HE2 LYS 54 1HE LYS 54 0.713 1.897 -19.361 365 HE3 LYS 54 2HE LYS 54 -0.443 0.949 -18.426 366 HZ1 LYS 54 1HZ LYS 54 1.280 2.294 -17.155 367 HZ2 LYS 54 2HZ LYS 54 2.400 1.122 -17.639 368 HZ3 LYS 54 3HZ LYS 54 1.069 0.680 -16.693 369 H GLY 55 H GLY 55 -2.477 -0.660 -16.794 370 HA2 GLY 55 1HA GLY 55 -4.397 -2.027 -17.511 371 HA3 GLY 55 2HA GLY 55 -3.775 -3.296 -16.466 372 H LYS 56 H LYS 56 -5.016 -3.550 -14.745 373 HA LYS 56 HA LYS 56 -6.101 -1.141 -13.437 374 HB2 LYS 56 1HB LYS 56 -7.365 -3.880 -13.649 375 HB3 LYS 56 2HB LYS 56 -8.014 -2.540 -12.712 376 HG2 LYS 56 1HG LYS 56 -8.336 -1.243 -14.729 377 HG3 LYS 56 2HG LYS 56 -7.599 -2.523 -15.695 378 HD2 LYS 56 1HD LYS 56 -9.453 -4.017 -14.648 379 HD3 LYS 56 2HD LYS 56 -10.253 -2.479 -14.313 380 HE2 LYS 56 1HE LYS 56 -11.046 -3.343 -16.417 381 HE3 LYS 56 2HE LYS 56 -10.066 -1.908 -16.713 382 HZ1 LYS 56 1HZ LYS 56 -8.785 -4.547 -16.809 383 HZ2 LYS 56 2HZ LYS 56 -8.390 -3.131 -17.644 384 HZ3 LYS 56 3HZ LYS 56 -9.726 -4.051 -18.125 385 H TRP 57 H TRP 57 -5.569 -0.855 -11.368 386 HA TRP 57 HA TRP 57 -4.405 -3.138 -9.911 387 HB2 TRP 57 1HB TRP 57 -2.732 -1.413 -10.481 388 HB3 TRP 57 2HB TRP 57 -3.696 -0.209 -9.628 389 HD1 TRP 57 HD1 TRP 57 -1.398 -3.204 -8.991 390 HE1 TRP 57 HE1 TRP 57 -0.668 -3.168 -6.523 391 HE3 TRP 57 HE3 TRP 57 -4.398 0.579 -7.312 392 HZ2 TRP 57 HZ2 TRP 57 -1.283 -1.727 -4.175 393 HZ3 TRP 57 HZ3 TRP 57 -4.267 1.225 -4.941 394 HH2 TRP 57 HH2 TRP 57 -2.742 0.094 -3.407 395 H TYR 58 H TYR 58 -5.599 -3.787 -8.257 396 HA TYR 58 HA TYR 58 -7.469 -1.885 -7.026 397 HB2 TYR 58 1HB TYR 58 -7.451 -4.905 -7.106 398 HB3 TYR 58 2HB TYR 58 -8.572 -3.967 -6.125 399 HD1 TYR 58 HD1 TYR 58 -7.532 -4.689 -9.603 400 HD2 TYR 58 HD2 TYR 58 -10.504 -2.984 -7.080 401 HE1 TYR 58 HE1 TYR 58 -9.052 -4.505 -11.528 402 HE2 TYR 58 HE2 TYR 58 -12.033 -2.797 -8.998 403 HH TYR 58 HH TYR 58 -10.975 -3.440 -12.260 404 H CYS 59 H CYS 59 -6.795 -1.002 -5.197 405 HA CYS 59 HA CYS 59 -4.594 -1.551 -3.716 406 HB2 CYS 59 1HB CYS 59 -5.510 -0.255 -1.971 407 HB3 CYS 59 2HB CYS 59 -6.283 0.352 -3.432 408 HA PRO 60 HA PRO 60 -5.090 -5.346 -1.568 409 HB2 PRO 60 1HB PRO 60 -3.769 -4.822 0.745 410 HB3 PRO 60 2HB PRO 60 -2.944 -5.055 -0.801 411 HG2 PRO 60 1HG PRO 60 -3.651 -2.508 0.603 412 HG3 PRO 60 2HG PRO 60 -2.149 -2.946 -0.232 413 HD2 PRO 60 1HD PRO 60 -4.048 -1.387 -1.371 414 HD3 PRO 60 2HD PRO 60 -3.026 -2.490 -2.314 415 H LYS 61 H LYS 61 -6.720 -2.611 -0.690 416 HA LYS 61 HA LYS 61 -7.871 -3.746 1.750 417 HB2 LYS 61 1HB LYS 61 -7.705 -1.032 0.566 418 HB3 LYS 61 2HB LYS 61 -9.164 -1.401 1.477 419 HG2 LYS 61 1HG LYS 61 -6.577 -2.089 2.739 420 HG3 LYS 61 2HG LYS 61 -6.984 -0.377 2.600 421 HD2 LYS 61 1HD LYS 61 -8.027 -0.759 4.570 422 HD3 LYS 61 2HD LYS 61 -9.324 -1.334 3.520 423 HE2 LYS 61 1HE LYS 61 -7.980 -3.603 3.708 424 HE3 LYS 61 2HE LYS 61 -7.410 -2.868 5.206 425 HZ1 LYS 61 1HZ LYS 61 -9.301 -3.464 6.157 426 HZ2 LYS 61 2HZ LYS 61 -9.867 -4.126 4.708 427 HZ3 LYS 61 3HZ LYS 61 -10.173 -2.502 5.073 428 H CYS 62 H CYS 62 -8.602 -3.102 -1.583 429 HA CYS 62 HA CYS 62 -11.437 -3.666 -1.215 430 HB2 CYS 62 1HB CYS 62 -9.800 -2.887 -3.631 431 HB3 CYS 62 2HB CYS 62 -11.512 -3.290 -3.718 432 H ARG 63 H ARG 63 -8.647 -5.017 -2.952 433 HA ARG 63 HA ARG 63 -9.987 -7.259 -4.005 434 HB2 ARG 63 1HB ARG 63 -7.812 -8.134 -4.516 435 HB3 ARG 63 2HB ARG 63 -7.773 -6.395 -4.779 436 HG2 ARG 63 1HG ARG 63 -6.398 -6.014 -2.981 437 HG3 ARG 63 2HG ARG 63 -6.903 -7.485 -2.147 438 HD2 ARG 63 1HD ARG 63 -5.447 -7.692 -4.744 439 HD3 ARG 63 2HD ARG 63 -4.544 -7.335 -3.273 440 HE ARG 63 HE ARG 63 -6.135 -9.517 -2.695 441 HH11 ARG 63 1HH1 ARG 63 -3.582 -8.738 -4.930 442 HH12 ARG 63 2HH1 ARG 63 -2.985 -10.362 -5.017 443 HH21 ARG 63 1HH2 ARG 63 -5.358 -11.659 -2.801 444 HH22 ARG 63 2HH2 ARG 63 -3.996 -12.023 -3.807 445 H GLY 64 H GLY 64 -8.649 -6.591 -0.872 446 HA2 GLY 64 1HA GLY 64 -9.460 -7.852 1.021 447 HA3 GLY 64 2HA GLY 64 -9.498 -9.277 -0.006 448 H ASP 65 H ASP 65 -8.314 -9.560 2.369 449 HA ASP 65 HA ASP 65 -5.432 -9.498 1.753 450 HB2 ASP 65 1HB ASP 65 -5.044 -9.460 4.203 451 HB3 ASP 65 2HB ASP 65 -5.919 -8.041 3.633 452 H SER 66 H SER 66 -8.036 -11.322 3.305 453 HA SER 66 HA SER 66 -6.339 -13.692 3.456 454 HB2 SER 66 1HB SER 66 -8.172 -14.691 4.732 455 HB3 SER 66 2HB SER 66 -7.752 -13.113 5.399 456 HG SER 66 HG SER 66 -9.535 -12.254 4.218 457 H GLY 67 H GLY 67 -6.120 -14.470 1.402 458 HA2 GLY 67 1HA GLY 67 -8.456 -15.767 0.274 459 HA3 GLY 67 2HA GLY 67 -7.759 -14.502 -0.728 460 HA PRO 68 HA PRO 68 -4.693 -17.197 -2.319 461 HB2 PRO 68 1HB PRO 68 -2.363 -15.822 -2.097 462 HB3 PRO 68 2HB PRO 68 -3.629 -15.386 -3.251 463 HG2 PRO 68 1HG PRO 68 -3.018 -14.200 -0.571 464 HG3 PRO 68 2HG PRO 68 -3.432 -13.381 -2.088 465 HD2 PRO 68 1HD PRO 68 -5.238 -13.786 -0.112 466 HD3 PRO 68 2HD PRO 68 -5.689 -13.770 -1.829 467 H SER 69 H SER 69 -4.866 -18.838 -0.695 468 HA SER 69 HA SER 69 -3.110 -18.747 1.599 469 HB2 SER 69 1HB SER 69 -5.152 -20.681 0.561 470 HB3 SER 69 2HB SER 69 -3.991 -21.212 1.777 471 HG SER 69 HG SER 69 -5.295 -18.798 2.237 472 H SER 70 H SER 70 -1.609 -18.488 -0.675 473 HA SER 70 HA SER 70 -0.504 -21.098 -1.337 474 HB2 SER 70 1HB SER 70 0.191 -18.320 -2.320 475 HB3 SER 70 2HB SER 70 0.944 -19.805 -2.901 476 HG SER 70 HG SER 70 -1.243 -20.481 -3.466 477 H GLY 71 H GLY 71 0.309 -21.589 0.784 478 HA2 GLY 71 1HA GLY 71 3.045 -21.014 1.100 479 HA3 GLY 71 2HA GLY 71 2.130 -19.999 2.204 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 28.769 26.392 5.517 2 HA2 GLY 1 1HA GLY 1 29.677 25.871 3.452 3 HA3 GLY 1 2HA GLY 1 30.023 24.256 4.050 4 H SER 2 H SER 2 29.304 23.338 2.094 5 HA SER 2 HA SER 2 26.588 23.767 1.219 6 HB2 SER 2 1HB SER 2 27.109 22.190 -0.554 7 HB3 SER 2 2HB SER 2 28.445 23.328 -0.382 8 HG SER 2 HG SER 2 28.558 20.962 1.091 9 H SER 3 H SER 3 24.938 22.874 2.251 10 HA SER 3 HA SER 3 25.294 20.197 3.430 11 HB2 SER 3 1HB SER 3 24.809 21.990 5.073 12 HB3 SER 3 2HB SER 3 23.302 22.336 4.224 13 HG SER 3 HG SER 3 22.417 20.686 5.172 14 H GLY 4 H GLY 4 24.075 18.570 2.696 15 HA2 GLY 4 1HA GLY 4 22.696 18.570 0.349 16 HA3 GLY 4 2HA GLY 4 22.352 17.443 1.653 17 H SER 5 H SER 5 21.239 19.036 3.562 18 HA SER 5 HA SER 5 19.225 20.766 2.509 19 HB2 SER 5 1HB SER 5 18.509 18.284 2.005 20 HB3 SER 5 2HB SER 5 18.069 18.278 3.713 21 HG SER 5 HG SER 5 17.120 20.047 1.706 22 H SER 6 H SER 6 17.497 21.167 4.302 23 HA SER 6 HA SER 6 18.980 21.464 6.817 24 HB2 SER 6 1HB SER 6 16.461 22.899 5.950 25 HB3 SER 6 2HB SER 6 17.478 23.290 7.336 26 HG SER 6 HG SER 6 17.704 24.411 5.100 27 H GLY 7 H GLY 7 17.407 21.583 8.792 28 HA2 GLY 7 1HA GLY 7 15.587 19.260 8.617 29 HA3 GLY 7 2HA GLY 7 16.631 19.552 10.001 30 H GLU 8 H GLU 8 14.524 21.735 8.142 31 HA GLU 8 HA GLU 8 13.276 22.530 10.679 32 HB2 GLU 8 1HB GLU 8 13.711 23.931 8.066 33 HB3 GLU 8 2HB GLU 8 12.418 24.458 9.135 34 HG2 GLU 8 1HG GLU 8 15.338 24.301 9.848 35 HG3 GLU 8 2HG GLU 8 14.443 25.768 9.457 36 H PHE 9 H PHE 9 11.784 20.832 10.823 37 HA PHE 9 HA PHE 9 9.398 21.234 9.227 38 HB2 PHE 9 1HB PHE 9 10.767 19.548 7.971 39 HB3 PHE 9 2HB PHE 9 10.654 18.488 9.372 40 HD1 PHE 9 HD2 PHE 9 8.818 20.008 6.593 41 HD2 PHE 9 HD1 PHE 9 8.611 17.344 9.906 42 HE1 PHE 9 HE2 PHE 9 6.682 19.127 5.747 43 HE2 PHE 9 HE1 PHE 9 6.476 16.458 9.065 44 HZ PHE 9 HZ PHE 9 5.508 17.350 6.983 45 H ALA 10 H ALA 10 7.521 20.157 10.117 46 HA ALA 10 HA ALA 10 7.720 18.814 12.651 47 HB1 ALA 10 1HB ALA 10 6.957 21.691 12.506 48 HB2 ALA 10 2HB ALA 10 6.158 20.648 13.684 49 HB3 ALA 10 3HB ALA 10 7.911 20.836 13.718 50 H ILE 11 H ILE 11 5.680 18.011 13.404 51 HA ILE 11 HA ILE 11 3.991 17.074 11.400 52 HB ILE 11 HB ILE 11 3.371 17.376 14.341 53 HG12 ILE 11 1HG1 ILE 11 4.348 14.928 12.867 54 HG13 ILE 11 2HG1 ILE 11 5.429 16.041 13.699 55 HG21 ILE 11 1HG2 ILE 11 1.964 16.010 12.093 56 HG22 ILE 11 2HG2 ILE 11 1.891 15.318 13.713 57 HG23 ILE 11 3HG2 ILE 11 1.301 16.955 13.427 58 HD11 ILE 11 1HD1 ILE 11 3.204 14.468 14.975 59 HD12 ILE 11 2HD1 ILE 11 4.925 14.095 15.063 60 HD13 ILE 11 3HD1 ILE 11 4.304 15.569 15.804 61 H ASP 12 H ASP 12 2.888 18.400 10.093 62 HA ASP 12 HA ASP 12 1.855 20.920 10.822 63 HB2 ASP 12 1HB ASP 12 1.571 19.099 8.482 64 HB3 ASP 12 2HB ASP 12 0.380 20.384 8.666 65 HA PRO 13 HA PRO 13 -1.911 19.950 12.865 66 HB2 PRO 13 1HB PRO 13 -3.374 22.148 12.233 67 HB3 PRO 13 2HB PRO 13 -2.039 22.183 13.391 68 HG2 PRO 13 1HG PRO 13 -2.068 22.995 10.510 69 HG3 PRO 13 2HG PRO 13 -1.320 23.811 11.895 70 HD2 PRO 13 1HD PRO 13 0.097 22.287 10.163 71 HD3 PRO 13 2HD PRO 13 0.518 22.420 11.882 72 H ASN 14 H ASN 14 -2.130 21.010 9.491 73 HA ASN 14 HA ASN 14 -4.564 19.383 9.188 74 HB2 ASN 14 1HB ASN 14 -5.027 20.730 7.176 75 HB3 ASN 14 2HB ASN 14 -4.886 21.738 8.614 76 HD21 ASN 14 1HD2 ASN 14 -3.145 23.119 8.829 77 HD22 ASN 14 2HD2 ASN 14 -2.100 23.507 7.509 78 H GLU 15 H GLU 15 -2.796 17.628 9.202 79 HA GLU 15 HA GLU 15 -1.669 17.291 6.507 80 HB2 GLU 15 1HB GLU 15 -0.300 17.143 8.770 81 HB3 GLU 15 2HB GLU 15 -0.925 15.500 8.776 82 HG2 GLU 15 1HG GLU 15 -0.012 15.387 6.366 83 HG3 GLU 15 2HG GLU 15 0.932 16.801 6.831 84 HA PRO 16 HA PRO 16 -5.107 14.384 6.147 85 HB2 PRO 16 1HB PRO 16 -4.912 14.159 3.449 86 HB3 PRO 16 2HB PRO 16 -5.725 15.513 4.244 87 HG2 PRO 16 1HG PRO 16 -2.961 15.369 3.103 88 HG3 PRO 16 2HG PRO 16 -4.159 16.670 2.973 89 HD2 PRO 16 1HD PRO 16 -2.090 16.763 4.718 90 HD3 PRO 16 2HD PRO 16 -3.666 17.503 5.065 91 H THR 17 H THR 17 -5.284 12.210 5.150 92 HA THR 17 HA THR 17 -2.762 10.882 4.547 93 HB THR 17 HB THR 17 -3.100 9.109 6.195 94 HG1 THR 17 HG1 THR 17 -4.744 9.287 7.730 95 HG21 THR 17 1HG2 THR 17 -3.010 11.913 7.298 96 HG22 THR 17 2HG2 THR 17 -1.652 10.854 6.918 97 HG23 THR 17 3HG2 THR 17 -2.709 10.479 8.279 98 H TYR 18 H TYR 18 -2.985 9.180 3.182 99 HA TYR 18 HA TYR 18 -5.729 8.312 2.549 100 HB2 TYR 18 1HB TYR 18 -3.451 8.703 0.597 101 HB3 TYR 18 2HB TYR 18 -5.058 8.108 0.195 102 HD1 TYR 18 HD2 TYR 18 -3.412 11.056 1.794 103 HD2 TYR 18 HD1 TYR 18 -6.624 9.614 -0.593 104 HE1 TYR 18 HE2 TYR 18 -4.168 13.368 1.427 105 HE2 TYR 18 HE1 TYR 18 -7.389 11.922 -0.969 106 HH TYR 18 HH TYR 18 -6.452 14.486 0.843 107 H CYS 19 H CYS 19 -2.347 7.374 1.897 108 HA CYS 19 HA CYS 19 -2.630 4.729 1.377 109 HB2 CYS 19 1HB CYS 19 -0.480 6.105 1.531 110 HB3 CYS 19 2HB CYS 19 -0.477 5.710 3.247 111 H LEU 20 H LEU 20 -2.132 2.818 2.783 112 HA LEU 20 HA LEU 20 -4.056 2.628 4.850 113 HB2 LEU 20 1HB LEU 20 -1.774 0.771 4.191 114 HB3 LEU 20 2HB LEU 20 -3.156 0.383 5.213 115 HG LEU 20 HG LEU 20 -3.565 1.179 2.355 116 HD11 LEU 20 1HD1 LEU 20 -2.504 -0.617 1.604 117 HD12 LEU 20 2HD1 LEU 20 -3.638 -1.620 2.508 118 HD13 LEU 20 3HD1 LEU 20 -2.115 -1.127 3.247 119 HD21 LEU 20 1HD2 LEU 20 -5.096 -0.206 4.502 120 HD22 LEU 20 2HD2 LEU 20 -5.425 -0.616 2.818 121 HD23 LEU 20 3HD2 LEU 20 -5.614 1.048 3.375 122 H CYS 21 H CYS 21 -0.589 3.166 4.823 123 HA CYS 21 HA CYS 21 -0.190 2.774 7.614 124 HB2 CYS 21 1HB CYS 21 1.995 3.822 7.241 125 HB3 CYS 21 2HB CYS 21 1.655 2.616 6.005 126 H ASN 22 H ASN 22 -1.958 5.050 6.067 127 HA ASN 22 HA ASN 22 -2.815 7.080 6.627 128 HB2 ASN 22 1HB ASN 22 -1.750 6.635 9.411 129 HB3 ASN 22 2HB ASN 22 -3.192 7.520 8.922 130 HD21 ASN 22 1HD2 ASN 22 -4.606 5.944 7.415 131 HD22 ASN 22 2HD2 ASN 22 -4.996 4.452 8.195 132 H GLN 23 H GLN 23 -0.544 7.402 5.329 133 HA GLN 23 HA GLN 23 0.849 9.532 6.810 134 HB2 GLN 23 1HB GLN 23 1.994 7.422 4.993 135 HB3 GLN 23 2HB GLN 23 2.851 8.921 5.328 136 HG2 GLN 23 1HG GLN 23 1.883 7.155 7.544 137 HG3 GLN 23 2HG GLN 23 3.415 6.852 6.725 138 HE21 GLN 23 1HE2 GLN 23 2.709 7.704 9.503 139 HE22 GLN 23 2HE2 GLN 23 3.658 9.121 9.781 140 H VAL 24 H VAL 24 1.894 11.150 5.369 141 HA VAL 24 HA VAL 24 0.021 12.209 3.547 142 HB VAL 24 HB VAL 24 1.732 13.879 3.003 143 HG11 VAL 24 1HG1 VAL 24 0.394 13.737 5.253 144 HG12 VAL 24 2HG1 VAL 24 1.998 13.487 5.946 145 HG13 VAL 24 3HG1 VAL 24 1.651 14.954 5.030 146 HG21 VAL 24 1HG2 VAL 24 3.921 13.697 4.309 147 HG22 VAL 24 2HG2 VAL 24 3.528 11.987 4.493 148 HG23 VAL 24 3HG2 VAL 24 3.742 12.674 2.883 149 H SER 25 H SER 25 -0.193 12.050 1.391 150 HA SER 25 HA SER 25 0.898 9.924 -0.031 151 HB2 SER 25 1HB SER 25 -0.585 12.403 -0.784 152 HB3 SER 25 2HB SER 25 0.181 11.470 -2.069 153 HG SER 25 HG SER 25 -2.113 10.978 -0.843 154 H TYR 26 H TYR 26 3.002 9.642 -0.389 155 HA TYR 26 HA TYR 26 4.492 11.835 -1.653 156 HB2 TYR 26 1HB TYR 26 6.486 11.257 -0.332 157 HB3 TYR 26 2HB TYR 26 5.160 11.783 0.699 158 HD1 TYR 26 HD1 TYR 26 6.533 8.610 -0.731 159 HD2 TYR 26 HD2 TYR 26 4.756 10.558 2.608 160 HE1 TYR 26 HE1 TYR 26 6.739 6.539 0.579 161 HE2 TYR 26 HE2 TYR 26 4.959 8.493 3.928 162 HH TYR 26 HH TYR 26 5.231 6.163 3.671 163 H GLY 27 H GLY 27 6.683 10.914 -2.500 164 HA2 GLY 27 1HA GLY 27 7.564 9.643 -4.213 165 HA3 GLY 27 2HA GLY 27 7.210 8.317 -3.115 166 H GLU 28 H GLU 28 7.020 7.183 -5.241 167 HA GLU 28 HA GLU 28 4.968 7.707 -7.067 168 HB2 GLU 28 1HB GLU 28 6.638 5.347 -6.379 169 HB3 GLU 28 2HB GLU 28 5.180 5.050 -7.316 170 HG2 GLU 28 1HG GLU 28 5.938 6.257 -9.130 171 HG3 GLU 28 2HG GLU 28 7.090 7.180 -8.166 172 H MET 29 H MET 29 2.837 7.278 -7.117 173 HA MET 29 HA MET 29 1.681 5.493 -5.113 174 HB2 MET 29 1HB MET 29 1.173 8.424 -5.354 175 HB3 MET 29 2HB MET 29 -0.172 7.374 -4.926 176 HG2 MET 29 1HG MET 29 1.150 6.513 -3.030 177 HG3 MET 29 2HG MET 29 2.428 7.654 -3.439 178 HE1 MET 29 1HE MET 29 -1.327 8.258 -1.090 179 HE2 MET 29 2HE MET 29 -0.676 6.803 -1.845 180 HE3 MET 29 3HE MET 29 0.154 7.530 -0.469 181 H ILE 30 H ILE 30 -0.339 4.627 -5.680 182 HA ILE 30 HA ILE 30 -1.145 5.116 -8.474 183 HB ILE 30 HB ILE 30 -1.768 2.798 -8.695 184 HG12 ILE 30 1HG1 ILE 30 -2.403 2.534 -6.259 185 HG13 ILE 30 2HG1 ILE 30 -1.539 1.172 -6.964 186 HG21 ILE 30 1HG2 ILE 30 0.760 2.030 -7.700 187 HG22 ILE 30 2HG2 ILE 30 0.321 2.452 -9.354 188 HG23 ILE 30 3HG2 ILE 30 0.900 3.699 -8.251 189 HD11 ILE 30 1HD1 ILE 30 -0.873 2.747 -4.683 190 HD12 ILE 30 2HD1 ILE 30 -0.091 1.292 -5.303 191 HD13 ILE 30 3HD1 ILE 30 0.411 2.879 -5.885 192 H GLY 31 H GLY 31 -3.398 4.796 -8.967 193 HA2 GLY 31 1HA GLY 31 -5.106 5.420 -6.650 194 HA3 GLY 31 2HA GLY 31 -5.458 5.854 -8.316 195 H CYS 32 H CYS 32 -6.007 3.626 -5.842 196 HA CYS 32 HA CYS 32 -6.421 1.192 -6.937 197 HB2 CYS 32 1HB CYS 32 -6.941 1.677 -4.606 198 HB3 CYS 32 2HB CYS 32 -8.320 2.657 -5.093 199 H ASP 33 H ASP 33 -7.206 0.714 -8.880 200 HA ASP 33 HA ASP 33 -8.748 2.116 -10.579 201 HB2 ASP 33 1HB ASP 33 -8.596 -0.836 -10.074 202 HB3 ASP 33 2HB ASP 33 -9.718 -0.212 -11.280 203 H ASN 34 H ASN 34 -9.891 0.366 -7.766 204 HA ASN 34 HA ASN 34 -12.653 0.478 -8.342 205 HB2 ASN 34 1HB ASN 34 -11.582 -0.995 -6.617 206 HB3 ASN 34 2HB ASN 34 -11.365 0.431 -5.606 207 HD21 ASN 34 1HD2 ASN 34 -12.810 0.525 -4.062 208 HD22 ASN 34 2HD2 ASN 34 -14.471 0.066 -4.184 209 H GLU 35 H GLU 35 -13.478 2.424 -8.896 210 HA GLU 35 HA GLU 35 -12.766 4.927 -8.022 211 HB2 GLU 35 1HB GLU 35 -14.554 4.099 -9.782 212 HB3 GLU 35 2HB GLU 35 -15.668 4.359 -8.447 213 HG2 GLU 35 1HG GLU 35 -15.773 6.392 -9.459 214 HG3 GLU 35 2HG GLU 35 -14.465 6.687 -8.315 215 H GLN 36 H GLN 36 -15.431 2.958 -6.699 216 HA GLN 36 HA GLN 36 -16.401 4.472 -4.715 217 HB2 GLN 36 1HB GLN 36 -15.672 1.549 -4.602 218 HB3 GLN 36 2HB GLN 36 -16.573 2.350 -3.321 219 HG2 GLN 36 1HG GLN 36 -17.529 2.509 -6.144 220 HG3 GLN 36 2HG GLN 36 -17.835 1.064 -5.181 221 HE21 GLN 36 1HE2 GLN 36 -19.278 3.708 -6.212 222 HE22 GLN 36 2HE2 GLN 36 -20.326 4.062 -4.885 223 H CYS 37 H CYS 37 -13.311 2.757 -4.586 224 HA CYS 37 HA CYS 37 -12.542 3.062 -1.999 225 HB2 CYS 37 1HB CYS 37 -11.252 2.201 -4.138 226 HB3 CYS 37 2HB CYS 37 -10.552 3.816 -4.098 227 HA PRO 38 HA PRO 38 -12.931 7.519 -1.557 228 HB2 PRO 38 1HB PRO 38 -12.630 7.505 1.141 229 HB3 PRO 38 2HB PRO 38 -14.153 7.098 0.343 230 HG2 PRO 38 1HG PRO 38 -12.049 5.279 1.451 231 HG3 PRO 38 2HG PRO 38 -13.814 5.160 1.582 232 HD2 PRO 38 1HD PRO 38 -12.383 3.694 -0.189 233 HD3 PRO 38 2HD PRO 38 -14.035 4.250 -0.524 234 H ILE 39 H ILE 39 -10.302 5.485 -1.238 235 HA ILE 39 HA ILE 39 -8.519 7.640 -0.332 236 HB ILE 39 HB ILE 39 -7.946 4.686 -0.591 237 HG12 ILE 39 1HG1 ILE 39 -8.266 6.340 1.918 238 HG13 ILE 39 2HG1 ILE 39 -9.552 5.355 1.230 239 HG21 ILE 39 1HG2 ILE 39 -6.109 6.624 -0.763 240 HG22 ILE 39 2HG2 ILE 39 -6.204 6.473 0.991 241 HG23 ILE 39 3HG2 ILE 39 -5.796 5.069 0.006 242 HD11 ILE 39 1HD1 ILE 39 -6.943 4.434 2.391 243 HD12 ILE 39 2HD1 ILE 39 -8.576 4.095 2.965 244 HD13 ILE 39 3HD1 ILE 39 -8.007 3.387 1.454 245 H GLU 40 H GLU 40 -8.654 5.042 -2.772 246 HA GLU 40 HA GLU 40 -7.486 4.806 -4.743 247 HB2 GLU 40 1HB GLU 40 -8.997 7.368 -4.820 248 HB3 GLU 40 2HB GLU 40 -7.884 7.044 -6.142 249 HG2 GLU 40 1HG GLU 40 -9.074 4.776 -6.316 250 HG3 GLU 40 2HG GLU 40 -10.329 5.524 -5.330 251 H TRP 41 H TRP 41 -5.763 5.610 -2.650 252 HA TRP 41 HA TRP 41 -3.589 6.653 -4.205 253 HB2 TRP 41 1HB TRP 41 -4.696 8.296 -1.920 254 HB3 TRP 41 2HB TRP 41 -3.114 8.557 -2.650 255 HD1 TRP 41 HD1 TRP 41 -6.481 9.868 -2.833 256 HE1 TRP 41 HE1 TRP 41 -6.902 11.109 -5.049 257 HE3 TRP 41 HE3 TRP 41 -2.459 8.168 -5.491 258 HZ2 TRP 41 HZ2 TRP 41 -5.689 11.336 -7.588 259 HZ3 TRP 41 HZ3 TRP 41 -2.162 8.945 -7.807 260 HH2 TRP 41 HH2 TRP 41 -3.745 10.495 -8.832 261 H PHE 42 H PHE 42 -2.156 5.128 -3.690 262 HA PHE 42 HA PHE 42 -1.466 4.782 -0.867 263 HB2 PHE 42 1HB PHE 42 -1.898 2.460 -2.758 264 HB3 PHE 42 2HB PHE 42 -1.374 2.353 -1.081 265 HD1 PHE 42 HD1 PHE 42 -4.196 3.426 -3.233 266 HD2 PHE 42 HD2 PHE 42 -2.933 2.209 0.645 267 HE1 PHE 42 HE1 PHE 42 -6.546 3.284 -2.516 268 HE2 PHE 42 HE2 PHE 42 -5.281 2.065 1.368 269 HZ PHE 42 HZ PHE 42 -7.090 2.602 -0.213 270 H HIS 43 H HIS 43 0.672 3.998 -0.507 271 HA HIS 43 HA HIS 43 2.535 4.901 -2.500 272 HB2 HIS 43 1HB HIS 43 3.098 3.517 0.129 273 HB3 HIS 43 2HB HIS 43 4.247 4.432 -0.842 274 HD2 HIS 43 HD2 HIS 43 2.434 7.140 -1.281 275 HE1 HIS 43 HE1 HIS 43 2.343 7.234 2.959 276 HE2 HIS 43 HE2 HIS 43 1.920 8.528 0.840 277 H PHE 44 H PHE 44 4.425 3.563 -3.141 278 HA PHE 44 HA PHE 44 3.503 1.055 -4.208 279 HB2 PHE 44 1HB PHE 44 6.020 2.671 -4.478 280 HB3 PHE 44 2HB PHE 44 5.961 1.012 -5.066 281 HD1 PHE 44 HD2 PHE 44 3.441 3.755 -5.154 282 HD2 PHE 44 HD1 PHE 44 5.904 1.078 -7.364 283 HE1 PHE 44 HE2 PHE 44 2.409 4.537 -7.246 284 HE2 PHE 44 HE1 PHE 44 4.875 1.856 -9.460 285 HZ PHE 44 HZ PHE 44 3.125 3.587 -9.402 286 H SER 45 H SER 45 6.448 1.885 -2.372 287 HA SER 45 HA SER 45 7.298 -0.612 -1.697 288 HB2 SER 45 1HB SER 45 8.355 1.645 -1.113 289 HB3 SER 45 2HB SER 45 7.323 1.636 0.316 290 HG SER 45 HG SER 45 9.557 0.109 -0.275 291 H CYS 46 H CYS 46 4.600 1.142 -0.339 292 HA CYS 46 HA CYS 46 4.202 -0.536 1.922 293 HB2 CYS 46 1HB CYS 46 2.657 1.595 0.533 294 HB3 CYS 46 2HB CYS 46 1.758 0.496 1.575 295 H VAL 47 H VAL 47 2.552 -0.339 -1.231 296 HA VAL 47 HA VAL 47 1.123 -2.806 -0.717 297 HB VAL 47 HB VAL 47 0.129 -2.470 -2.934 298 HG11 VAL 47 1HG1 VAL 47 0.009 0.232 -1.696 299 HG12 VAL 47 2HG1 VAL 47 -1.296 -0.807 -2.272 300 HG13 VAL 47 3HG1 VAL 47 -0.501 -1.156 -0.736 301 HG21 VAL 47 1HG2 VAL 47 1.154 -1.290 -4.510 302 HG22 VAL 47 2HG2 VAL 47 1.050 0.164 -3.518 303 HG23 VAL 47 3HG2 VAL 47 2.444 -0.906 -3.371 304 H SER 48 H SER 48 4.156 -2.577 -1.115 305 HA SER 48 HA SER 48 5.840 -3.774 -2.073 306 HB2 SER 48 1HB SER 48 3.670 -5.815 -2.608 307 HB3 SER 48 2HB SER 48 5.404 -6.121 -2.502 308 HG SER 48 HG SER 48 4.991 -6.467 -0.472 309 H LEU 49 H LEU 49 5.155 -1.878 -3.745 310 HA LEU 49 HA LEU 49 4.837 -3.167 -6.374 311 HB2 LEU 49 1HB LEU 49 3.877 -0.608 -5.250 312 HB3 LEU 49 2HB LEU 49 4.420 -0.574 -6.926 313 HG LEU 49 HG LEU 49 2.245 -2.350 -5.819 314 HD11 LEU 49 1HD1 LEU 49 0.693 -0.939 -6.930 315 HD12 LEU 49 2HD1 LEU 49 1.984 -0.010 -7.693 316 HD13 LEU 49 3HD1 LEU 49 1.728 0.102 -5.951 317 HD21 LEU 49 1HD2 LEU 49 1.913 -2.406 -8.474 318 HD22 LEU 49 2HD2 LEU 49 2.890 -3.587 -7.602 319 HD23 LEU 49 3HD2 LEU 49 3.666 -2.223 -8.408 320 H THR 50 H THR 50 6.302 -2.756 -7.982 321 HA THR 50 HA THR 50 8.761 -1.386 -7.139 322 HB THR 50 HB THR 50 8.421 -3.322 -9.435 323 HG1 THR 50 HG1 THR 50 9.283 -3.721 -6.750 324 HG21 THR 50 1HG2 THR 50 10.329 -1.922 -9.780 325 HG22 THR 50 2HG2 THR 50 10.917 -3.481 -9.201 326 HG23 THR 50 3HG2 THR 50 10.837 -2.104 -8.102 327 H TYR 51 H TYR 51 6.177 -1.312 -9.434 328 HA TYR 51 HA TYR 51 6.827 1.290 -10.320 329 HB2 TYR 51 1HB TYR 51 7.233 0.701 -12.734 330 HB3 TYR 51 2HB TYR 51 8.550 0.287 -11.642 331 HD1 TYR 51 HD2 TYR 51 5.502 -1.239 -13.172 332 HD2 TYR 51 HD1 TYR 51 9.482 -1.825 -11.786 333 HE1 TYR 51 HE2 TYR 51 5.438 -3.559 -13.986 334 HE2 TYR 51 HE1 TYR 51 9.429 -4.146 -12.598 335 HH TYR 51 HH TYR 51 8.139 -5.441 -14.389 336 H LYS 52 H LYS 52 5.316 2.074 -11.986 337 HA LYS 52 HA LYS 52 2.689 1.526 -11.438 338 HB2 LYS 52 1HB LYS 52 3.749 3.431 -12.836 339 HB3 LYS 52 2HB LYS 52 3.527 2.350 -14.205 340 HG2 LYS 52 1HG LYS 52 1.663 3.812 -14.144 341 HG3 LYS 52 2HG LYS 52 1.102 2.228 -13.607 342 HD2 LYS 52 1HD LYS 52 1.071 2.915 -11.333 343 HD3 LYS 52 2HD LYS 52 1.946 4.403 -11.703 344 HE2 LYS 52 1HE LYS 52 -0.805 3.738 -12.742 345 HE3 LYS 52 2HE LYS 52 -0.492 4.727 -11.317 346 HZ1 LYS 52 1HZ LYS 52 -0.580 6.380 -12.818 347 HZ2 LYS 52 2HZ LYS 52 -0.195 5.382 -14.128 348 HZ3 LYS 52 3HZ LYS 52 1.031 5.956 -13.114 349 HA PRO 53 HA PRO 53 2.390 -2.570 -13.263 350 HB2 PRO 53 1HB PRO 53 -0.067 -3.098 -12.236 351 HB3 PRO 53 2HB PRO 53 1.420 -3.240 -11.291 352 HG2 PRO 53 1HG PRO 53 -0.574 -1.009 -11.362 353 HG3 PRO 53 2HG PRO 53 0.238 -1.739 -9.965 354 HD2 PRO 53 1HD PRO 53 1.040 0.607 -11.053 355 HD3 PRO 53 2HD PRO 53 2.173 -0.533 -10.300 356 H LYS 54 H LYS 54 1.864 -2.826 -15.332 357 HA LYS 54 HA LYS 54 0.116 -1.103 -16.734 358 HB2 LYS 54 1HB LYS 54 2.090 -2.674 -17.541 359 HB3 LYS 54 2HB LYS 54 0.775 -3.812 -17.804 360 HG2 LYS 54 1HG LYS 54 0.743 -2.849 -19.838 361 HG3 LYS 54 2HG LYS 54 -0.262 -1.657 -19.011 362 HD2 LYS 54 1HD LYS 54 2.662 -1.237 -18.881 363 HD3 LYS 54 2HD LYS 54 1.903 -1.010 -20.459 364 HE2 LYS 54 1HE LYS 54 0.625 0.765 -19.736 365 HE3 LYS 54 2HE LYS 54 0.666 0.245 -18.052 366 HZ1 LYS 54 1HZ LYS 54 2.636 1.265 -17.688 367 HZ2 LYS 54 2HZ LYS 54 2.105 2.259 -18.949 368 HZ3 LYS 54 3HZ LYS 54 3.206 1.013 -19.261 369 H GLY 55 H GLY 55 -1.977 -1.333 -17.401 370 HA2 GLY 55 1HA GLY 55 -3.966 -2.576 -17.813 371 HA3 GLY 55 2HA GLY 55 -3.393 -3.807 -16.697 372 H LYS 56 H LYS 56 -4.188 -3.809 -14.693 373 HA LYS 56 HA LYS 56 -5.425 -1.343 -13.675 374 HB2 LYS 56 1HB LYS 56 -6.595 -4.127 -13.512 375 HB3 LYS 56 2HB LYS 56 -7.252 -2.708 -12.709 376 HG2 LYS 56 1HG LYS 56 -7.739 -1.675 -14.828 377 HG3 LYS 56 2HG LYS 56 -6.953 -2.999 -15.691 378 HD2 LYS 56 1HD LYS 56 -8.683 -4.451 -15.315 379 HD3 LYS 56 2HD LYS 56 -9.163 -3.660 -13.812 380 HE2 LYS 56 1HE LYS 56 -9.458 -2.176 -16.379 381 HE3 LYS 56 2HE LYS 56 -10.619 -3.446 -15.995 382 HZ1 LYS 56 1HZ LYS 56 -10.238 -0.843 -14.757 383 HZ2 LYS 56 2HZ LYS 56 -10.594 -2.117 -13.703 384 HZ3 LYS 56 3HZ LYS 56 -11.654 -1.747 -14.968 385 H TRP 57 H TRP 57 -5.911 -1.575 -11.258 386 HA TRP 57 HA TRP 57 -4.299 -3.407 -9.759 387 HB2 TRP 57 1HB TRP 57 -2.568 -1.813 -10.500 388 HB3 TRP 57 2HB TRP 57 -3.487 -0.492 -9.783 389 HD1 TRP 57 HD1 TRP 57 -1.119 -3.316 -8.890 390 HE1 TRP 57 HE1 TRP 57 -0.452 -3.104 -6.413 391 HE3 TRP 57 HE3 TRP 57 -4.402 0.339 -7.474 392 HZ2 TRP 57 HZ2 TRP 57 -1.216 -1.589 -4.157 393 HZ3 TRP 57 HZ3 TRP 57 -4.369 1.113 -5.139 394 HH2 TRP 57 HH2 TRP 57 -2.809 0.167 -3.516 395 H TYR 58 H TYR 58 -5.512 -3.848 -8.052 396 HA TYR 58 HA TYR 58 -7.195 -1.706 -6.928 397 HB2 TYR 58 1HB TYR 58 -7.616 -4.686 -7.092 398 HB3 TYR 58 2HB TYR 58 -8.543 -3.672 -5.993 399 HD1 TYR 58 HD1 TYR 58 -7.635 -3.963 -9.601 400 HD2 TYR 58 HD2 TYR 58 -10.516 -2.701 -6.735 401 HE1 TYR 58 HE1 TYR 58 -9.207 -3.443 -11.419 402 HE2 TYR 58 HE2 TYR 58 -12.096 -2.178 -8.546 403 HH TYR 58 HH TYR 58 -11.139 -2.210 -11.886 404 H CYS 59 H CYS 59 -6.551 -0.956 -5.033 405 HA CYS 59 HA CYS 59 -4.431 -1.678 -3.533 406 HB2 CYS 59 1HB CYS 59 -5.320 -0.425 -1.743 407 HB3 CYS 59 2HB CYS 59 -6.041 0.281 -3.186 408 HA PRO 60 HA PRO 60 -5.127 -5.545 -1.577 409 HB2 PRO 60 1HB PRO 60 -3.814 -5.192 0.772 410 HB3 PRO 60 2HB PRO 60 -2.980 -5.390 -0.774 411 HG2 PRO 60 1HG PRO 60 -3.589 -2.882 0.742 412 HG3 PRO 60 2HG PRO 60 -2.098 -3.348 -0.096 413 HD2 PRO 60 1HD PRO 60 -3.909 -1.652 -1.181 414 HD3 PRO 60 2HD PRO 60 -2.926 -2.756 -2.164 415 H LYS 61 H LYS 61 -6.555 -2.730 -0.491 416 HA LYS 61 HA LYS 61 -7.810 -3.936 1.851 417 HB2 LYS 61 1HB LYS 61 -6.979 -1.408 1.431 418 HB3 LYS 61 2HB LYS 61 -8.651 -1.254 0.909 419 HG2 LYS 61 1HG LYS 61 -9.327 -2.254 3.107 420 HG3 LYS 61 2HG LYS 61 -7.641 -2.112 3.608 421 HD2 LYS 61 1HD LYS 61 -8.783 -0.189 4.425 422 HD3 LYS 61 2HD LYS 61 -7.788 0.336 3.065 423 HE2 LYS 61 1HE LYS 61 -9.666 0.460 1.625 424 HE3 LYS 61 2HE LYS 61 -10.692 -0.398 2.774 425 HZ1 LYS 61 1HZ LYS 61 -11.128 1.470 3.888 426 HZ2 LYS 61 2HZ LYS 61 -10.564 2.282 2.515 427 HZ3 LYS 61 3HZ LYS 61 -9.528 2.017 3.826 428 H CYS 62 H CYS 62 -8.486 -3.150 -1.459 429 HA CYS 62 HA CYS 62 -11.344 -3.661 -1.108 430 HB2 CYS 62 1HB CYS 62 -9.701 -2.626 -3.415 431 HB3 CYS 62 2HB CYS 62 -11.389 -3.089 -3.601 432 H ARG 63 H ARG 63 -8.483 -4.998 -2.663 433 HA ARG 63 HA ARG 63 -9.952 -7.146 -3.910 434 HB2 ARG 63 1HB ARG 63 -7.861 -7.864 -4.790 435 HB3 ARG 63 2HB ARG 63 -7.859 -6.107 -4.861 436 HG2 ARG 63 1HG ARG 63 -6.227 -5.904 -3.288 437 HG3 ARG 63 2HG ARG 63 -6.689 -7.392 -2.458 438 HD2 ARG 63 1HD ARG 63 -4.699 -8.012 -3.437 439 HD3 ARG 63 2HD ARG 63 -5.865 -8.536 -4.652 440 HE ARG 63 HE ARG 63 -4.865 -5.870 -5.064 441 HH11 ARG 63 1HH1 ARG 63 -4.339 -9.260 -5.658 442 HH12 ARG 63 2HH1 ARG 63 -3.370 -8.995 -7.070 443 HH21 ARG 63 1HH2 ARG 63 -3.591 -5.509 -6.921 444 HH22 ARG 63 2HH2 ARG 63 -2.944 -6.861 -7.787 445 H GLY 64 H GLY 64 -9.739 -6.695 -0.869 446 HA2 GLY 64 1HA GLY 64 -8.275 -8.694 0.366 447 HA3 GLY 64 2HA GLY 64 -9.798 -8.063 0.975 448 H ASP 65 H ASP 65 -8.540 -10.828 0.801 449 HA ASP 65 HA ASP 65 -10.260 -12.320 -0.943 450 HB2 ASP 65 1HB ASP 65 -7.874 -12.900 0.046 451 HB3 ASP 65 2HB ASP 65 -8.833 -13.612 1.340 452 H SER 66 H SER 66 -10.053 -11.865 2.577 453 HA SER 66 HA SER 66 -12.729 -13.056 2.830 454 HB2 SER 66 1HB SER 66 -10.658 -12.538 4.978 455 HB3 SER 66 2HB SER 66 -12.203 -13.357 5.205 456 HG SER 66 HG SER 66 -10.367 -14.775 4.908 457 H GLY 67 H GLY 67 -14.019 -11.309 2.313 458 HA2 GLY 67 1HA GLY 67 -15.406 -9.680 3.443 459 HA3 GLY 67 2HA GLY 67 -13.970 -9.119 4.287 460 HA PRO 68 HA PRO 68 -13.741 -7.490 -0.284 461 HB2 PRO 68 1HB PRO 68 -16.090 -7.533 -1.645 462 HB3 PRO 68 2HB PRO 68 -14.923 -8.860 -1.699 463 HG2 PRO 68 1HG PRO 68 -17.424 -8.601 -0.074 464 HG3 PRO 68 2HG PRO 68 -16.808 -10.006 -0.963 465 HD2 PRO 68 1HD PRO 68 -16.523 -9.738 1.717 466 HD3 PRO 68 2HD PRO 68 -15.323 -10.570 0.707 467 H SER 69 H SER 69 -16.919 -7.116 1.276 468 HA SER 69 HA SER 69 -16.591 -4.195 1.050 469 HB2 SER 69 1HB SER 69 -19.119 -5.856 1.072 470 HB3 SER 69 2HB SER 69 -19.099 -4.098 1.198 471 HG SER 69 HG SER 69 -18.279 -3.961 -0.846 472 H SER 70 H SER 70 -16.736 -2.977 2.857 473 HA SER 70 HA SER 70 -17.698 -4.195 5.335 474 HB2 SER 70 1HB SER 70 -15.324 -4.646 5.413 475 HB3 SER 70 2HB SER 70 -14.950 -2.976 4.989 476 HG SER 70 HG SER 70 -15.594 -4.067 7.416 477 H GLY 71 H GLY 71 -17.998 -2.595 7.076 478 HA2 GLY 71 1HA GLY 71 -18.301 -0.378 7.840 479 HA3 GLY 71 2HA GLY 71 -18.135 0.189 6.185 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 29.363 13.875 -7.551 2 HA2 GLY 1 1HA GLY 1 28.042 13.006 -9.968 3 HA3 GLY 1 2HA GLY 1 27.625 12.054 -8.551 4 H SER 2 H SER 2 25.622 13.330 -9.801 5 HA SER 2 HA SER 2 25.086 15.682 -8.108 6 HB2 SER 2 1HB SER 2 23.432 16.329 -9.893 7 HB3 SER 2 2HB SER 2 25.116 16.354 -10.416 8 HG SER 2 HG SER 2 23.194 15.114 -11.597 9 H SER 3 H SER 3 24.376 14.207 -6.437 10 HA SER 3 HA SER 3 21.550 13.615 -6.688 11 HB2 SER 3 1HB SER 3 23.590 11.458 -6.107 12 HB3 SER 3 2HB SER 3 21.862 11.281 -5.805 13 HG SER 3 HG SER 3 21.467 11.323 -7.946 14 H GLY 4 H GLY 4 20.777 12.613 -4.492 15 HA2 GLY 4 1HA GLY 4 21.724 12.590 -2.078 16 HA3 GLY 4 2HA GLY 4 21.958 14.303 -2.397 17 H SER 5 H SER 5 19.834 11.962 -1.244 18 HA SER 5 HA SER 5 17.408 13.460 -1.751 19 HB2 SER 5 1HB SER 5 16.287 11.671 -0.515 20 HB3 SER 5 2HB SER 5 17.379 10.987 -1.719 21 HG SER 5 HG SER 5 18.408 11.429 0.829 22 H SER 6 H SER 6 19.075 15.136 -0.485 23 HA SER 6 HA SER 6 18.338 15.105 2.354 24 HB2 SER 6 1HB SER 6 20.489 16.497 0.785 25 HB3 SER 6 2HB SER 6 20.008 17.105 2.369 26 HG SER 6 HG SER 6 21.782 15.409 2.131 27 H GLY 7 H GLY 7 16.526 16.142 2.851 28 HA2 GLY 7 1HA GLY 7 16.091 18.818 1.741 29 HA3 GLY 7 2HA GLY 7 14.817 17.627 1.527 30 H GLU 8 H GLU 8 13.506 19.185 2.720 31 HA GLU 8 HA GLU 8 13.650 18.641 5.585 32 HB2 GLU 8 1HB GLU 8 13.639 21.388 4.350 33 HB3 GLU 8 2HB GLU 8 13.071 21.104 5.989 34 HG2 GLU 8 1HG GLU 8 15.228 20.313 6.666 35 HG3 GLU 8 2HG GLU 8 15.819 20.377 5.006 36 H PHE 9 H PHE 9 11.685 18.473 6.564 37 HA PHE 9 HA PHE 9 9.294 19.379 5.171 38 HB2 PHE 9 1HB PHE 9 9.675 16.483 5.959 39 HB3 PHE 9 2HB PHE 9 8.215 17.185 5.272 40 HD1 PHE 9 HD1 PHE 9 8.111 17.797 2.926 41 HD2 PHE 9 HD2 PHE 9 11.603 16.024 4.594 42 HE1 PHE 9 HE1 PHE 9 8.941 17.310 0.662 43 HE2 PHE 9 HE2 PHE 9 12.439 15.535 2.332 44 HZ PHE 9 HZ PHE 9 11.108 16.178 0.362 45 H ALA 10 H ALA 10 7.341 19.176 6.515 46 HA ALA 10 HA ALA 10 7.974 19.117 9.393 47 HB1 ALA 10 1HB ALA 10 6.876 21.268 7.800 48 HB2 ALA 10 2HB ALA 10 5.805 20.826 9.131 49 HB3 ALA 10 3HB ALA 10 7.477 21.285 9.458 50 H ILE 11 H ILE 11 7.042 17.340 10.178 51 HA ILE 11 HA ILE 11 4.697 16.174 9.018 52 HB ILE 11 HB ILE 11 6.104 15.519 11.610 53 HG12 ILE 11 1HG1 ILE 11 6.226 13.835 9.142 54 HG13 ILE 11 2HG1 ILE 11 7.242 15.269 9.240 55 HG21 ILE 11 1HG2 ILE 11 4.293 13.663 10.118 56 HG22 ILE 11 2HG2 ILE 11 4.796 13.615 11.807 57 HG23 ILE 11 3HG2 ILE 11 3.635 14.828 11.267 58 HD11 ILE 11 1HD1 ILE 11 7.227 13.179 11.389 59 HD12 ILE 11 2HD1 ILE 11 8.264 13.069 9.966 60 HD13 ILE 11 3HD1 ILE 11 8.430 14.430 11.075 61 H ASP 12 H ASP 12 2.703 16.877 9.343 62 HA ASP 12 HA ASP 12 1.862 17.641 12.027 63 HB2 ASP 12 1HB ASP 12 1.247 19.429 9.673 64 HB3 ASP 12 2HB ASP 12 0.907 19.734 11.374 65 HA PRO 13 HA PRO 13 -1.750 15.394 10.929 66 HB2 PRO 13 1HB PRO 13 -3.550 16.529 12.615 67 HB3 PRO 13 2HB PRO 13 -2.282 15.426 13.164 68 HG2 PRO 13 1HG PRO 13 -2.352 18.418 13.239 69 HG3 PRO 13 2HG PRO 13 -1.806 17.280 14.484 70 HD2 PRO 13 1HD PRO 13 -0.086 18.602 12.863 71 HD3 PRO 13 2HD PRO 13 0.246 16.971 13.479 72 H ASN 14 H ASN 14 -1.651 18.854 10.684 73 HA ASN 14 HA ASN 14 -4.072 19.653 9.809 74 HB2 ASN 14 1HB ASN 14 -1.416 20.322 8.522 75 HB3 ASN 14 2HB ASN 14 -2.909 21.223 8.268 76 HD21 ASN 14 1HD2 ASN 14 -0.109 21.130 9.977 77 HD22 ASN 14 2HD2 ASN 14 -0.561 22.111 11.326 78 H GLU 15 H GLU 15 -1.625 18.191 7.664 79 HA GLU 15 HA GLU 15 -3.525 17.905 5.521 80 HB2 GLU 15 1HB GLU 15 -1.044 18.324 5.231 81 HB3 GLU 15 2HB GLU 15 -0.787 16.652 5.711 82 HG2 GLU 15 1HG GLU 15 -1.883 15.826 3.801 83 HG3 GLU 15 2HG GLU 15 -2.561 17.406 3.412 84 HA PRO 16 HA PRO 16 -5.140 14.003 6.845 85 HB2 PRO 16 1HB PRO 16 -6.432 13.374 4.541 86 HB3 PRO 16 2HB PRO 16 -7.037 14.581 5.683 87 HG2 PRO 16 1HG PRO 16 -5.514 14.979 3.137 88 HG3 PRO 16 2HG PRO 16 -6.915 15.874 3.754 89 HD2 PRO 16 1HD PRO 16 -4.383 16.811 3.957 90 HD3 PRO 16 2HD PRO 16 -5.629 17.156 5.173 91 H THR 17 H THR 17 -5.123 11.723 6.140 92 HA THR 17 HA THR 17 -2.762 11.124 4.478 93 HB THR 17 HB THR 17 -2.367 9.142 5.836 94 HG1 THR 17 HG1 THR 17 -4.835 9.315 6.501 95 HG21 THR 17 1HG2 THR 17 -1.886 11.735 6.608 96 HG22 THR 17 2HG2 THR 17 -1.193 10.298 7.360 97 HG23 THR 17 3HG2 THR 17 -2.640 11.040 8.042 98 H TYR 18 H TYR 18 -2.800 9.014 3.399 99 HA TYR 18 HA TYR 18 -5.529 8.081 2.807 100 HB2 TYR 18 1HB TYR 18 -3.298 8.500 0.807 101 HB3 TYR 18 2HB TYR 18 -4.870 7.796 0.447 102 HD1 TYR 18 HD2 TYR 18 -3.268 10.906 1.719 103 HD2 TYR 18 HD1 TYR 18 -6.649 9.167 -0.191 104 HE1 TYR 18 HE2 TYR 18 -4.163 13.152 1.270 105 HE2 TYR 18 HE1 TYR 18 -7.553 11.408 -0.646 106 HH TYR 18 HH TYR 18 -6.151 14.269 0.735 107 H CYS 19 H CYS 19 -2.167 7.198 1.997 108 HA CYS 19 HA CYS 19 -2.443 4.511 1.675 109 HB2 CYS 19 1HB CYS 19 -0.327 5.911 1.469 110 HB3 CYS 19 2HB CYS 19 -0.126 5.695 3.205 111 H LEU 20 H LEU 20 -1.723 2.722 3.155 112 HA LEU 20 HA LEU 20 -3.401 2.660 5.441 113 HB2 LEU 20 1HB LEU 20 -1.159 0.749 4.835 114 HB3 LEU 20 2HB LEU 20 -2.619 0.442 5.774 115 HG LEU 20 HG LEU 20 -2.899 1.149 2.893 116 HD11 LEU 20 1HD1 LEU 20 -1.263 -0.481 2.601 117 HD12 LEU 20 2HD1 LEU 20 -2.774 -1.380 2.479 118 HD13 LEU 20 3HD1 LEU 20 -1.833 -1.436 3.969 119 HD21 LEU 20 1HD2 LEU 20 -4.516 -1.004 3.694 120 HD22 LEU 20 2HD2 LEU 20 -5.003 0.666 3.404 121 HD23 LEU 20 3HD2 LEU 20 -4.532 0.152 5.025 122 H CYS 21 H CYS 21 0.041 3.178 4.963 123 HA CYS 21 HA CYS 21 0.834 2.954 7.662 124 HB2 CYS 21 1HB CYS 21 2.868 4.129 6.967 125 HB3 CYS 21 2HB CYS 21 2.432 2.886 5.798 126 H ASN 22 H ASN 22 -1.198 5.157 6.245 127 HA ASN 22 HA ASN 22 -2.126 7.117 6.929 128 HB2 ASN 22 1HB ASN 22 -0.697 6.479 9.520 129 HB3 ASN 22 2HB ASN 22 -1.937 7.714 9.324 130 HD21 ASN 22 1HD2 ASN 22 -4.076 7.092 8.987 131 HD22 ASN 22 2HD2 ASN 22 -4.628 5.495 9.350 132 H GLN 23 H GLN 23 -0.066 7.533 5.333 133 HA GLN 23 HA GLN 23 1.388 9.768 6.585 134 HB2 GLN 23 1HB GLN 23 2.384 7.673 4.671 135 HB3 GLN 23 2HB GLN 23 3.180 9.235 4.809 136 HG2 GLN 23 1HG GLN 23 2.687 7.519 7.213 137 HG3 GLN 23 2HG GLN 23 4.093 7.277 6.178 138 HE21 GLN 23 1HE2 GLN 23 5.686 7.938 7.495 139 HE22 GLN 23 2HE2 GLN 23 5.818 9.529 8.155 140 H VAL 24 H VAL 24 2.025 11.482 5.091 141 HA VAL 24 HA VAL 24 -0.132 12.251 3.408 142 HB VAL 24 HB VAL 24 1.247 14.208 2.841 143 HG11 VAL 24 1HG1 VAL 24 0.588 13.358 5.556 144 HG12 VAL 24 2HG1 VAL 24 1.811 14.628 5.488 145 HG13 VAL 24 3HG1 VAL 24 0.240 14.874 4.726 146 HG21 VAL 24 1HG2 VAL 24 3.397 12.700 3.025 147 HG22 VAL 24 2HG2 VAL 24 3.472 14.433 3.340 148 HG23 VAL 24 3HG2 VAL 24 3.399 13.295 4.685 149 H SER 25 H SER 25 -0.116 12.638 1.154 150 HA SER 25 HA SER 25 1.042 10.576 -0.384 151 HB2 SER 25 1HB SER 25 -0.057 11.529 -2.236 152 HB3 SER 25 2HB SER 25 -1.080 11.961 -0.866 153 HG SER 25 HG SER 25 0.584 13.569 -2.433 154 H TYR 26 H TYR 26 2.919 10.430 -1.444 155 HA TYR 26 HA TYR 26 4.385 12.714 -2.348 156 HB2 TYR 26 1HB TYR 26 6.197 12.727 -0.893 157 HB3 TYR 26 2HB TYR 26 4.849 12.450 0.204 158 HD1 TYR 26 HD2 TYR 26 4.373 10.061 0.937 159 HD2 TYR 26 HD1 TYR 26 7.975 11.199 -1.020 160 HE1 TYR 26 HE2 TYR 26 5.463 8.018 1.768 161 HE2 TYR 26 HE1 TYR 26 9.075 9.159 -0.196 162 HH TYR 26 HH TYR 26 8.389 6.880 0.571 163 H GLY 27 H GLY 27 6.628 11.978 -3.170 164 HA2 GLY 27 1HA GLY 27 7.721 10.696 -4.734 165 HA3 GLY 27 2HA GLY 27 7.326 9.357 -3.667 166 H GLU 28 H GLU 28 6.606 7.751 -4.906 167 HA GLU 28 HA GLU 28 4.767 8.384 -7.107 168 HB2 GLU 28 1HB GLU 28 5.364 6.276 -8.081 169 HB3 GLU 28 2HB GLU 28 6.848 7.101 -7.627 170 HG2 GLU 28 1HG GLU 28 5.547 5.040 -5.877 171 HG3 GLU 28 2HG GLU 28 6.720 4.629 -7.127 172 H MET 29 H MET 29 2.714 7.653 -7.131 173 HA MET 29 HA MET 29 1.886 5.629 -5.194 174 HB2 MET 29 1HB MET 29 0.930 8.464 -5.279 175 HB3 MET 29 2HB MET 29 -0.182 7.192 -4.793 176 HG2 MET 29 1HG MET 29 1.270 6.558 -2.977 177 HG3 MET 29 2HG MET 29 2.481 7.725 -3.501 178 HE1 MET 29 1HE MET 29 -0.089 7.154 -0.853 179 HE2 MET 29 2HE MET 29 -1.252 8.470 -1.019 180 HE3 MET 29 3HE MET 29 -1.146 7.224 -2.264 181 H ILE 30 H ILE 30 -0.433 4.968 -5.582 182 HA ILE 30 HA ILE 30 -1.178 5.269 -8.412 183 HB ILE 30 HB ILE 30 -1.629 2.965 -8.677 184 HG12 ILE 30 1HG1 ILE 30 -2.647 2.469 -6.542 185 HG13 ILE 30 2HG1 ILE 30 -1.329 1.333 -6.812 186 HG21 ILE 30 1HG2 ILE 30 0.712 3.511 -8.925 187 HG22 ILE 30 2HG2 ILE 30 0.979 3.275 -7.198 188 HG23 ILE 30 3HG2 ILE 30 0.551 1.903 -8.219 189 HD11 ILE 30 1HD1 ILE 30 0.035 3.110 -5.438 190 HD12 ILE 30 2HD1 ILE 30 -1.569 3.529 -4.833 191 HD13 ILE 30 3HD1 ILE 30 -0.954 1.887 -4.640 192 H GLY 31 H GLY 31 -3.427 4.859 -8.879 193 HA2 GLY 31 1HA GLY 31 -5.134 5.439 -6.545 194 HA3 GLY 31 2HA GLY 31 -5.499 5.904 -8.200 195 H CYS 32 H CYS 32 -6.050 3.643 -5.776 196 HA CYS 32 HA CYS 32 -6.411 1.219 -6.956 197 HB2 CYS 32 1HB CYS 32 -6.880 1.448 -4.630 198 HB3 CYS 32 2HB CYS 32 -8.147 2.632 -4.933 199 H ASP 33 H ASP 33 -7.355 0.649 -8.789 200 HA ASP 33 HA ASP 33 -8.832 2.027 -10.528 201 HB2 ASP 33 1HB ASP 33 -8.110 -0.394 -10.723 202 HB3 ASP 33 2HB ASP 33 -9.578 -0.819 -9.847 203 H ASN 34 H ASN 34 -10.083 0.591 -7.573 204 HA ASN 34 HA ASN 34 -12.824 1.029 -8.086 205 HB2 ASN 34 1HB ASN 34 -11.707 -0.428 -6.264 206 HB3 ASN 34 2HB ASN 34 -11.630 1.060 -5.325 207 HD21 ASN 34 1HD2 ASN 34 -13.030 0.271 -3.768 208 HD22 ASN 34 2HD2 ASN 34 -14.724 0.087 -4.056 209 H GLU 35 H GLU 35 -13.787 2.920 -8.378 210 HA GLU 35 HA GLU 35 -12.612 5.405 -7.709 211 HB2 GLU 35 1HB GLU 35 -15.296 4.546 -8.720 212 HB3 GLU 35 2HB GLU 35 -15.067 6.203 -8.178 213 HG2 GLU 35 1HG GLU 35 -13.192 4.989 -10.161 214 HG3 GLU 35 2HG GLU 35 -14.753 5.626 -10.674 215 H GLN 36 H GLN 36 -15.427 3.700 -6.342 216 HA GLN 36 HA GLN 36 -16.148 5.463 -4.371 217 HB2 GLN 36 1HB GLN 36 -17.015 3.517 -3.123 218 HB3 GLN 36 2HB GLN 36 -17.426 3.453 -4.832 219 HG2 GLN 36 1HG GLN 36 -15.925 1.729 -5.257 220 HG3 GLN 36 2HG GLN 36 -15.018 2.028 -3.775 221 HE21 GLN 36 1HE2 GLN 36 -17.095 -0.035 -5.207 222 HE22 GLN 36 2HE2 GLN 36 -17.838 -0.734 -3.813 223 H CYS 37 H CYS 37 -13.347 3.414 -4.498 224 HA CYS 37 HA CYS 37 -12.536 3.061 -1.950 225 HB2 CYS 37 1HB CYS 37 -11.287 2.708 -4.239 226 HB3 CYS 37 2HB CYS 37 -10.543 4.253 -3.839 227 HA PRO 38 HA PRO 38 -12.675 7.195 -0.260 228 HB2 PRO 38 1HB PRO 38 -12.010 6.460 2.267 229 HB3 PRO 38 2HB PRO 38 -13.632 6.244 1.599 230 HG2 PRO 38 1HG PRO 38 -11.418 4.249 1.880 231 HG3 PRO 38 2HG PRO 38 -13.149 4.052 2.209 232 HD2 PRO 38 1HD PRO 38 -11.988 3.159 -0.069 233 HD3 PRO 38 2HD PRO 38 -13.665 3.741 -0.016 234 H ILE 39 H ILE 39 -10.040 5.170 -0.774 235 HA ILE 39 HA ILE 39 -8.163 7.218 0.214 236 HB ILE 39 HB ILE 39 -7.519 4.310 -0.268 237 HG12 ILE 39 1HG1 ILE 39 -7.872 5.621 2.424 238 HG13 ILE 39 2HG1 ILE 39 -9.196 4.799 1.606 239 HG21 ILE 39 1HG2 ILE 39 -5.960 6.256 1.394 240 HG22 ILE 39 2HG2 ILE 39 -5.430 4.738 0.672 241 HG23 ILE 39 3HG2 ILE 39 -5.722 6.146 -0.349 242 HD11 ILE 39 1HD1 ILE 39 -6.692 3.661 2.759 243 HD12 ILE 39 2HD1 ILE 39 -8.368 3.171 3.009 244 HD13 ILE 39 3HD1 ILE 39 -7.560 2.805 1.485 245 H GLU 40 H GLU 40 -8.528 4.720 -2.305 246 HA GLU 40 HA GLU 40 -7.501 4.548 -4.364 247 HB2 GLU 40 1HB GLU 40 -9.561 6.205 -4.435 248 HB3 GLU 40 2HB GLU 40 -8.316 7.383 -4.827 249 HG2 GLU 40 1HG GLU 40 -7.605 5.938 -6.706 250 HG3 GLU 40 2HG GLU 40 -8.957 4.866 -6.345 251 H TRP 41 H TRP 41 -5.660 5.406 -2.340 252 HA TRP 41 HA TRP 41 -3.612 6.481 -4.048 253 HB2 TRP 41 1HB TRP 41 -4.536 8.073 -1.646 254 HB3 TRP 41 2HB TRP 41 -3.061 8.391 -2.557 255 HD1 TRP 41 HD1 TRP 41 -6.462 9.599 -2.320 256 HE1 TRP 41 HE1 TRP 41 -7.184 10.841 -4.456 257 HE3 TRP 41 HE3 TRP 41 -2.743 8.039 -5.463 258 HZ2 TRP 41 HZ2 TRP 41 -6.295 11.122 -7.120 259 HZ3 TRP 41 HZ3 TRP 41 -2.752 8.840 -7.789 260 HH2 TRP 41 HH2 TRP 41 -4.492 10.349 -8.599 261 H PHE 42 H PHE 42 -2.016 5.107 -3.644 262 HA PHE 42 HA PHE 42 -1.175 4.687 -0.880 263 HB2 PHE 42 1HB PHE 42 -1.513 2.357 -2.774 264 HB3 PHE 42 2HB PHE 42 -1.080 2.298 -1.068 265 HD1 PHE 42 HD1 PHE 42 -3.825 3.428 -3.317 266 HD2 PHE 42 HD2 PHE 42 -2.723 1.891 0.496 267 HE1 PHE 42 HE1 PHE 42 -6.202 3.190 -2.729 268 HE2 PHE 42 HE2 PHE 42 -5.098 1.650 1.090 269 HZ PHE 42 HZ PHE 42 -6.842 2.299 -0.524 270 H HIS 43 H HIS 43 1.012 4.152 -0.642 271 HA HIS 43 HA HIS 43 2.698 5.081 -2.768 272 HB2 HIS 43 1HB HIS 43 3.519 3.805 -0.153 273 HB3 HIS 43 2HB HIS 43 4.522 4.800 -1.204 274 HD2 HIS 43 HD2 HIS 43 3.082 7.518 -1.495 275 HE1 HIS 43 HE1 HIS 43 2.160 7.349 2.643 276 HE2 HIS 43 HE2 HIS 43 2.249 8.804 0.589 277 H PHE 44 H PHE 44 4.556 3.870 -3.585 278 HA PHE 44 HA PHE 44 3.762 1.297 -4.532 279 HB2 PHE 44 1HB PHE 44 6.201 3.013 -4.878 280 HB3 PHE 44 2HB PHE 44 6.205 1.345 -5.442 281 HD1 PHE 44 HD2 PHE 44 3.514 3.917 -5.505 282 HD2 PHE 44 HD1 PHE 44 6.143 1.430 -7.746 283 HE1 PHE 44 HE2 PHE 44 2.403 4.622 -7.583 284 HE2 PHE 44 HE1 PHE 44 5.036 2.132 -9.829 285 HZ PHE 44 HZ PHE 44 3.163 3.729 -9.749 286 H SER 45 H SER 45 6.719 2.257 -2.781 287 HA SER 45 HA SER 45 7.715 -0.169 -2.107 288 HB2 SER 45 1HB SER 45 7.681 2.445 -0.649 289 HB3 SER 45 2HB SER 45 8.353 1.028 0.157 290 HG SER 45 HG SER 45 9.451 2.567 -1.753 291 H CYS 46 H CYS 46 5.135 1.547 -0.385 292 HA CYS 46 HA CYS 46 4.797 -0.266 1.717 293 HB2 CYS 46 1HB CYS 46 3.033 1.766 0.405 294 HB3 CYS 46 2HB CYS 46 2.340 0.661 1.587 295 H VAL 47 H VAL 47 3.051 -0.057 -1.381 296 HA VAL 47 HA VAL 47 1.714 -2.575 -0.894 297 HB VAL 47 HB VAL 47 0.655 -2.240 -3.058 298 HG11 VAL 47 1HG1 VAL 47 -0.648 -0.353 -2.519 299 HG12 VAL 47 2HG1 VAL 47 -0.092 -0.997 -0.973 300 HG13 VAL 47 3HG1 VAL 47 0.687 0.425 -1.668 301 HG21 VAL 47 1HG2 VAL 47 2.688 -0.051 -3.329 302 HG22 VAL 47 2HG2 VAL 47 2.317 -1.362 -4.448 303 HG23 VAL 47 3HG2 VAL 47 1.183 -0.027 -4.247 304 H SER 48 H SER 48 4.697 -2.402 -1.188 305 HA SER 48 HA SER 48 6.419 -3.493 -2.215 306 HB2 SER 48 1HB SER 48 5.007 -5.363 -1.221 307 HB3 SER 48 2HB SER 48 4.361 -5.614 -2.843 308 HG SER 48 HG SER 48 6.505 -5.994 -3.548 309 H LEU 49 H LEU 49 5.635 -1.602 -3.874 310 HA LEU 49 HA LEU 49 5.444 -2.906 -6.511 311 HB2 LEU 49 1HB LEU 49 4.167 -0.489 -5.391 312 HB3 LEU 49 2HB LEU 49 4.737 -0.369 -7.054 313 HG LEU 49 HG LEU 49 2.806 -2.456 -6.045 314 HD11 LEU 49 1HD1 LEU 49 1.481 -0.846 -7.837 315 HD12 LEU 49 2HD1 LEU 49 2.421 0.302 -6.885 316 HD13 LEU 49 3HD1 LEU 49 1.309 -0.805 -6.082 317 HD21 LEU 49 1HD2 LEU 49 2.714 -1.996 -8.853 318 HD22 LEU 49 2HD2 LEU 49 3.126 -3.476 -7.988 319 HD23 LEU 49 3HD2 LEU 49 4.386 -2.308 -8.388 320 H THR 50 H THR 50 6.744 -2.118 -8.190 321 HA THR 50 HA THR 50 9.036 -0.497 -7.290 322 HB THR 50 HB THR 50 10.289 -1.632 -9.177 323 HG1 THR 50 HG1 THR 50 8.239 -2.435 -10.137 324 HG21 THR 50 1HG2 THR 50 10.774 -3.625 -7.883 325 HG22 THR 50 2HG2 THR 50 9.266 -3.443 -6.987 326 HG23 THR 50 3HG2 THR 50 10.554 -2.254 -6.797 327 H TYR 51 H TYR 51 6.669 -1.023 -9.813 328 HA TYR 51 HA TYR 51 7.013 1.672 -10.760 329 HB2 TYR 51 1HB TYR 51 7.274 0.786 -13.185 330 HB3 TYR 51 2HB TYR 51 8.700 0.873 -12.157 331 HD1 TYR 51 HD2 TYR 51 5.986 -1.543 -13.043 332 HD2 TYR 51 HD1 TYR 51 10.096 -0.963 -12.105 333 HE1 TYR 51 HE2 TYR 51 6.408 -3.934 -13.439 334 HE2 TYR 51 HE1 TYR 51 10.529 -3.352 -12.499 335 HH TYR 51 HH TYR 51 8.582 -5.615 -12.403 336 H LYS 52 H LYS 52 5.301 2.375 -12.100 337 HA LYS 52 HA LYS 52 2.784 1.673 -11.520 338 HB2 LYS 52 1HB LYS 52 3.635 3.516 -13.104 339 HB3 LYS 52 2HB LYS 52 3.473 2.315 -14.379 340 HG2 LYS 52 1HG LYS 52 1.504 3.646 -14.371 341 HG3 LYS 52 2HG LYS 52 1.080 2.056 -13.734 342 HD2 LYS 52 1HD LYS 52 1.224 2.936 -11.452 343 HD3 LYS 52 2HD LYS 52 1.646 4.526 -12.093 344 HE2 LYS 52 1HE LYS 52 -0.702 4.474 -11.525 345 HE3 LYS 52 2HE LYS 52 -0.518 4.590 -13.275 346 HZ1 LYS 52 1HZ LYS 52 -0.622 1.930 -12.883 347 HZ2 LYS 52 2HZ LYS 52 -1.948 2.892 -13.303 348 HZ3 LYS 52 3HZ LYS 52 -1.679 2.484 -11.684 349 HA PRO 53 HA PRO 53 2.546 -2.560 -12.962 350 HB2 PRO 53 1HB PRO 53 0.085 -3.034 -11.919 351 HB3 PRO 53 2HB PRO 53 1.559 -3.045 -10.945 352 HG2 PRO 53 1HG PRO 53 -0.479 -0.877 -11.271 353 HG3 PRO 53 2HG PRO 53 0.327 -1.442 -9.796 354 HD2 PRO 53 1HD PRO 53 1.096 0.796 -11.110 355 HD3 PRO 53 2HD PRO 53 2.242 -0.235 -10.229 356 H LYS 54 H LYS 54 2.282 -2.586 -15.134 357 HA LYS 54 HA LYS 54 0.457 -1.200 -16.666 358 HB2 LYS 54 1HB LYS 54 2.397 -2.473 -17.549 359 HB3 LYS 54 2HB LYS 54 1.526 -3.970 -17.242 360 HG2 LYS 54 1HG LYS 54 1.028 -3.712 -19.436 361 HG3 LYS 54 2HG LYS 54 -0.301 -2.779 -18.745 362 HD2 LYS 54 1HD LYS 54 2.219 -1.316 -19.255 363 HD3 LYS 54 2HD LYS 54 1.309 -1.839 -20.675 364 HE2 LYS 54 1HE LYS 54 0.067 -0.328 -18.387 365 HE3 LYS 54 2HE LYS 54 0.768 0.467 -19.796 366 HZ1 LYS 54 1HZ LYS 54 -1.505 -1.443 -19.791 367 HZ2 LYS 54 2HZ LYS 54 -0.785 -0.819 -21.188 368 HZ3 LYS 54 3HZ LYS 54 -1.580 0.216 -20.111 369 H GLY 55 H GLY 55 -1.686 -1.176 -16.545 370 HA2 GLY 55 1HA GLY 55 -3.689 -2.496 -17.141 371 HA3 GLY 55 2HA GLY 55 -3.074 -3.741 -16.064 372 H LYS 56 H LYS 56 -4.964 -3.739 -14.823 373 HA LYS 56 HA LYS 56 -5.661 -1.271 -13.422 374 HB2 LYS 56 1HB LYS 56 -7.051 -3.935 -13.183 375 HB3 LYS 56 2HB LYS 56 -7.688 -2.343 -12.789 376 HG2 LYS 56 1HG LYS 56 -6.854 -2.822 -15.591 377 HG3 LYS 56 2HG LYS 56 -8.322 -3.621 -15.024 378 HD2 LYS 56 1HD LYS 56 -9.199 -1.643 -15.781 379 HD3 LYS 56 2HD LYS 56 -8.874 -1.218 -14.099 380 HE2 LYS 56 1HE LYS 56 -7.956 0.579 -15.207 381 HE3 LYS 56 2HE LYS 56 -6.553 -0.476 -15.034 382 HZ1 LYS 56 1HZ LYS 56 -6.771 0.456 -17.277 383 HZ2 LYS 56 2HZ LYS 56 -8.264 -0.318 -17.457 384 HZ3 LYS 56 3HZ LYS 56 -6.853 -1.234 -17.284 385 H TRP 57 H TRP 57 -5.570 -1.032 -11.209 386 HA TRP 57 HA TRP 57 -4.305 -3.207 -9.686 387 HB2 TRP 57 1HB TRP 57 -2.592 -1.531 -10.288 388 HB3 TRP 57 2HB TRP 57 -3.556 -0.280 -9.509 389 HD1 TRP 57 HD1 TRP 57 -1.215 -3.179 -8.727 390 HE1 TRP 57 HE1 TRP 57 -0.583 -3.091 -6.234 391 HE3 TRP 57 HE3 TRP 57 -4.447 0.476 -7.199 392 HZ2 TRP 57 HZ2 TRP 57 -1.353 -1.662 -3.925 393 HZ3 TRP 57 HZ3 TRP 57 -4.436 1.145 -4.831 394 HH2 TRP 57 HH2 TRP 57 -2.921 0.096 -3.230 395 H TYR 58 H TYR 58 -5.405 -3.715 -7.915 396 HA TYR 58 HA TYR 58 -7.280 -1.724 -6.818 397 HB2 TYR 58 1HB TYR 58 -7.450 -4.721 -7.027 398 HB3 TYR 58 2HB TYR 58 -8.432 -3.829 -5.871 399 HD1 TYR 58 HD2 TYR 58 -10.210 -2.339 -6.638 400 HD2 TYR 58 HD1 TYR 58 -7.889 -4.592 -9.401 401 HE1 TYR 58 HE2 TYR 58 -11.877 -1.894 -8.391 402 HE2 TYR 58 HE1 TYR 58 -9.549 -4.153 -11.162 403 HH TYR 58 HH TYR 58 -11.787 -1.805 -11.034 404 H CYS 59 H CYS 59 -6.844 -0.978 -4.859 405 HA CYS 59 HA CYS 59 -4.636 -1.516 -3.353 406 HB2 CYS 59 1HB CYS 59 -5.633 -0.311 -1.588 407 HB3 CYS 59 2HB CYS 59 -6.379 0.334 -3.046 408 HA PRO 60 HA PRO 60 -5.103 -5.399 -1.361 409 HB2 PRO 60 1HB PRO 60 -3.886 -4.929 1.020 410 HB3 PRO 60 2HB PRO 60 -2.997 -5.079 -0.500 411 HG2 PRO 60 1HG PRO 60 -3.830 -2.608 0.970 412 HG3 PRO 60 2HG PRO 60 -2.285 -2.972 0.178 413 HD2 PRO 60 1HD PRO 60 -4.184 -1.423 -0.974 414 HD3 PRO 60 2HD PRO 60 -3.095 -2.461 -1.918 415 H LYS 61 H LYS 61 -6.834 -2.739 -0.434 416 HA LYS 61 HA LYS 61 -8.059 -4.023 1.897 417 HB2 LYS 61 1HB LYS 61 -7.914 -1.238 0.867 418 HB3 LYS 61 2HB LYS 61 -9.367 -1.692 1.748 419 HG2 LYS 61 1HG LYS 61 -7.896 -2.460 3.616 420 HG3 LYS 61 2HG LYS 61 -6.529 -1.764 2.742 421 HD2 LYS 61 1HD LYS 61 -7.453 0.430 2.894 422 HD3 LYS 61 2HD LYS 61 -8.985 -0.195 3.510 423 HE2 LYS 61 1HE LYS 61 -6.411 -0.655 4.979 424 HE3 LYS 61 2HE LYS 61 -7.318 0.843 5.177 425 HZ1 LYS 61 1HZ LYS 61 -7.772 -1.637 6.399 426 HZ2 LYS 61 2HZ LYS 61 -9.107 -1.288 5.421 427 HZ3 LYS 61 3HZ LYS 61 -8.623 -0.190 6.614 428 H CYS 62 H CYS 62 -8.645 -3.234 -1.425 429 HA CYS 62 HA CYS 62 -11.488 -3.878 -1.195 430 HB2 CYS 62 1HB CYS 62 -9.838 -2.861 -3.516 431 HB3 CYS 62 2HB CYS 62 -11.557 -3.227 -3.612 432 H ARG 63 H ARG 63 -8.497 -5.103 -2.564 433 HA ARG 63 HA ARG 63 -9.801 -7.288 -3.928 434 HB2 ARG 63 1HB ARG 63 -7.597 -7.961 -4.606 435 HB3 ARG 63 2HB ARG 63 -7.711 -6.214 -4.771 436 HG2 ARG 63 1HG ARG 63 -6.550 -5.984 -2.592 437 HG3 ARG 63 2HG ARG 63 -6.337 -7.736 -2.569 438 HD2 ARG 63 1HD ARG 63 -5.341 -5.932 -4.769 439 HD3 ARG 63 2HD ARG 63 -4.358 -6.469 -3.407 440 HE ARG 63 HE ARG 63 -5.599 -8.583 -4.942 441 HH11 ARG 63 1HH1 ARG 63 -2.792 -6.576 -4.487 442 HH12 ARG 63 2HH1 ARG 63 -1.717 -7.670 -5.293 443 HH21 ARG 63 1HH2 ARG 63 -4.195 -10.032 -6.006 444 HH22 ARG 63 2HH2 ARG 63 -2.517 -9.635 -6.158 445 H GLY 64 H GLY 64 -10.034 -6.951 -0.957 446 HA2 GLY 64 1HA GLY 64 -8.543 -9.111 0.213 447 HA3 GLY 64 2HA GLY 64 -9.839 -8.202 0.977 448 H ASP 65 H ASP 65 -8.986 -11.197 0.081 449 HA ASP 65 HA ASP 65 -11.719 -12.138 0.170 450 HB2 ASP 65 1HB ASP 65 -11.302 -11.713 -2.255 451 HB3 ASP 65 2HB ASP 65 -9.977 -12.872 -2.190 452 H SER 66 H SER 66 -11.863 -14.459 0.481 453 HA SER 66 HA SER 66 -9.545 -15.454 1.945 454 HB2 SER 66 1HB SER 66 -11.788 -15.504 3.012 455 HB3 SER 66 2HB SER 66 -12.337 -16.611 1.753 456 HG SER 66 HG SER 66 -10.267 -17.794 2.582 457 H GLY 67 H GLY 67 -8.232 -16.995 1.205 458 HA2 GLY 67 1HA GLY 67 -9.013 -19.171 -0.398 459 HA3 GLY 67 2HA GLY 67 -8.345 -17.922 -1.439 460 HA PRO 68 HA PRO 68 -4.203 -18.974 -0.441 461 HB2 PRO 68 1HB PRO 68 -3.021 -16.718 0.499 462 HB3 PRO 68 2HB PRO 68 -3.478 -16.929 -1.195 463 HG2 PRO 68 1HG PRO 68 -4.915 -15.467 0.987 464 HG3 PRO 68 2HG PRO 68 -4.649 -14.982 -0.698 465 HD2 PRO 68 1HD PRO 68 -6.992 -16.032 0.164 466 HD3 PRO 68 2HD PRO 68 -6.375 -16.295 -1.480 467 H SER 69 H SER 69 -6.110 -17.691 2.133 468 HA SER 69 HA SER 69 -4.191 -18.352 4.201 469 HB2 SER 69 1HB SER 69 -5.719 -17.398 5.735 470 HB3 SER 69 2HB SER 69 -5.854 -16.403 4.285 471 HG SER 69 HG SER 69 -7.871 -17.195 5.351 472 H SER 70 H SER 70 -4.060 -20.227 5.248 473 HA SER 70 HA SER 70 -5.990 -22.318 4.601 474 HB2 SER 70 1HB SER 70 -3.439 -22.615 4.474 475 HB3 SER 70 2HB SER 70 -3.483 -22.677 6.236 476 HG SER 70 HG SER 70 -3.630 -24.751 5.121 477 H GLY 71 H GLY 71 -6.568 -23.859 6.405 478 HA2 GLY 71 1HA GLY 71 -7.458 -22.263 8.702 479 HA3 GLY 71 2HA GLY 71 -8.149 -23.793 8.182 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 11.176 16.391 -22.908 2 HA2 GLY 1 1HA GLY 1 10.983 13.777 -21.742 3 HA3 GLY 1 2HA GLY 1 12.628 14.394 -21.722 4 H SER 2 H SER 2 11.591 13.862 -19.342 5 HA SER 2 HA SER 2 10.996 16.526 -18.241 6 HB2 SER 2 1HB SER 2 9.529 15.471 -16.562 7 HB3 SER 2 2HB SER 2 8.939 15.193 -18.200 8 HG SER 2 HG SER 2 10.403 13.165 -17.852 9 H SER 3 H SER 3 11.609 16.779 -15.970 10 HA SER 3 HA SER 3 13.382 14.860 -14.774 11 HB2 SER 3 1HB SER 3 14.506 17.462 -15.836 12 HB3 SER 3 2HB SER 3 15.354 16.386 -14.726 13 HG SER 3 HG SER 3 16.041 15.590 -16.572 14 H GLY 4 H GLY 4 13.700 15.227 -12.599 15 HA2 GLY 4 1HA GLY 4 12.461 17.679 -11.510 16 HA3 GLY 4 2HA GLY 4 12.157 16.095 -10.811 17 H SER 5 H SER 5 12.974 17.728 -9.006 18 HA SER 5 HA SER 5 15.892 17.400 -8.774 19 HB2 SER 5 1HB SER 5 14.018 19.483 -7.664 20 HB3 SER 5 2HB SER 5 15.628 19.234 -6.987 21 HG SER 5 HG SER 5 15.644 20.842 -8.601 22 H SER 6 H SER 6 15.624 15.234 -8.007 23 HA SER 6 HA SER 6 14.078 14.562 -5.744 24 HB2 SER 6 1HB SER 6 16.371 13.257 -7.177 25 HB3 SER 6 2HB SER 6 15.787 12.589 -5.653 26 HG SER 6 HG SER 6 13.856 13.200 -7.547 27 H GLY 7 H GLY 7 14.641 14.274 -3.586 28 HA2 GLY 7 1HA GLY 7 17.155 14.533 -2.442 29 HA3 GLY 7 2HA GLY 7 16.491 16.157 -2.534 30 H GLU 8 H GLU 8 14.682 16.703 -1.282 31 HA GLU 8 HA GLU 8 13.481 14.756 0.468 32 HB2 GLU 8 1HB GLU 8 15.333 16.876 1.559 33 HB3 GLU 8 2HB GLU 8 14.136 16.046 2.544 34 HG2 GLU 8 1HG GLU 8 15.316 13.902 1.588 35 HG3 GLU 8 2HG GLU 8 16.658 15.021 1.355 36 H PHE 9 H PHE 9 11.833 15.770 1.903 37 HA PHE 9 HA PHE 9 10.971 18.442 1.197 38 HB2 PHE 9 1HB PHE 9 9.081 16.142 0.695 39 HB3 PHE 9 2HB PHE 9 8.837 17.842 0.306 40 HD1 PHE 9 HD2 PHE 9 10.680 14.791 -0.610 41 HD2 PHE 9 HD1 PHE 9 9.694 18.786 -1.695 42 HE1 PHE 9 HE2 PHE 9 11.593 14.401 -2.860 43 HE2 PHE 9 HE1 PHE 9 10.605 18.403 -3.948 44 HZ PHE 9 HZ PHE 9 11.558 16.208 -4.533 45 H ALA 10 H ALA 10 10.471 19.336 3.076 46 HA ALA 10 HA ALA 10 10.140 18.034 5.491 47 HB1 ALA 10 1HB ALA 10 8.682 20.591 5.103 48 HB2 ALA 10 2HB ALA 10 9.764 20.088 6.402 49 HB3 ALA 10 3HB ALA 10 10.427 20.587 4.845 50 H ILE 11 H ILE 11 8.429 17.276 6.666 51 HA ILE 11 HA ILE 11 6.129 16.411 5.224 52 HB ILE 11 HB ILE 11 6.755 16.319 8.175 53 HG12 ILE 11 1HG1 ILE 11 6.779 13.760 7.352 54 HG13 ILE 11 2HG1 ILE 11 7.261 14.541 5.850 55 HG21 ILE 11 1HG2 ILE 11 4.924 14.554 8.171 56 HG22 ILE 11 2HG2 ILE 11 4.410 16.237 8.061 57 HG23 ILE 11 3HG2 ILE 11 4.432 15.226 6.616 58 HD11 ILE 11 1HD1 ILE 11 8.846 15.752 7.754 59 HD12 ILE 11 2HD1 ILE 11 8.778 14.064 8.264 60 HD13 ILE 11 3HD1 ILE 11 9.330 14.474 6.639 61 H ASP 12 H ASP 12 4.559 17.762 4.653 62 HA ASP 12 HA ASP 12 3.967 20.138 6.177 63 HB2 ASP 12 1HB ASP 12 2.459 19.016 3.809 64 HB3 ASP 12 2HB ASP 12 2.403 20.667 4.419 65 HA PRO 13 HA PRO 13 0.935 18.239 8.780 66 HB2 PRO 13 1HB PRO 13 -0.144 20.527 9.768 67 HB3 PRO 13 2HB PRO 13 1.426 19.902 10.287 68 HG2 PRO 13 1HG PRO 13 0.807 22.061 8.307 69 HG3 PRO 13 2HG PRO 13 2.051 22.025 9.571 70 HD2 PRO 13 1HD PRO 13 2.602 21.516 6.969 71 HD3 PRO 13 2HD PRO 13 3.482 20.740 8.301 72 H ASN 14 H ASN 14 -0.134 21.115 6.950 73 HA ASN 14 HA ASN 14 -2.838 20.704 6.939 74 HB2 ASN 14 1HB ASN 14 -1.207 21.672 4.580 75 HB3 ASN 14 2HB ASN 14 -2.920 21.975 4.853 76 HD21 ASN 14 1HD2 ASN 14 -1.749 24.176 4.478 77 HD22 ASN 14 2HD2 ASN 14 -1.341 25.026 5.925 78 H GLU 15 H GLU 15 -0.582 19.504 4.447 79 HA GLU 15 HA GLU 15 -2.235 18.125 2.811 80 HB2 GLU 15 1HB GLU 15 0.391 18.268 2.929 81 HB3 GLU 15 2HB GLU 15 0.235 16.714 3.736 82 HG2 GLU 15 1HG GLU 15 0.638 16.390 1.384 83 HG3 GLU 15 2HG GLU 15 -0.984 15.839 1.800 84 HA PRO 16 HA PRO 16 -4.310 15.281 5.540 85 HB2 PRO 16 1HB PRO 16 -5.817 14.102 3.614 86 HB3 PRO 16 2HB PRO 16 -6.191 15.694 4.285 87 HG2 PRO 16 1HG PRO 16 -4.798 14.996 1.729 88 HG3 PRO 16 2HG PRO 16 -6.032 16.233 2.028 89 HD2 PRO 16 1HD PRO 16 -3.395 16.819 1.853 90 HD3 PRO 16 2HD PRO 16 -4.506 17.724 2.900 91 H THR 17 H THR 17 -5.018 12.797 5.019 92 HA THR 17 HA THR 17 -2.612 11.431 4.006 93 HB THR 17 HB THR 17 -2.771 9.781 5.779 94 HG1 THR 17 HG1 THR 17 -4.691 11.291 7.164 95 HG21 THR 17 1HG2 THR 17 -2.350 12.626 6.317 96 HG22 THR 17 2HG2 THR 17 -1.350 11.235 6.734 97 HG23 THR 17 3HG2 THR 17 -2.714 11.679 7.759 98 H TYR 18 H TYR 18 -2.930 9.600 2.819 99 HA TYR 18 HA TYR 18 -5.728 8.783 2.378 100 HB2 TYR 18 1HB TYR 18 -3.484 8.846 0.349 101 HB3 TYR 18 2HB TYR 18 -5.125 8.284 0.047 102 HD1 TYR 18 HD2 TYR 18 -3.265 11.306 1.201 103 HD2 TYR 18 HD1 TYR 18 -6.694 9.771 -0.796 104 HE1 TYR 18 HE2 TYR 18 -3.929 13.595 0.595 105 HE2 TYR 18 HE1 TYR 18 -7.367 12.056 -1.409 106 HH TYR 18 HH TYR 18 -5.391 14.862 -0.488 107 H CYS 19 H CYS 19 -2.451 7.570 1.648 108 HA CYS 19 HA CYS 19 -2.917 4.907 1.496 109 HB2 CYS 19 1HB CYS 19 -0.689 6.170 1.326 110 HB3 CYS 19 2HB CYS 19 -0.567 5.948 3.069 111 H LEU 20 H LEU 20 -2.460 3.147 3.075 112 HA LEU 20 HA LEU 20 -4.198 3.337 5.290 113 HB2 LEU 20 1HB LEU 20 -2.059 1.265 4.846 114 HB3 LEU 20 2HB LEU 20 -3.517 1.101 5.823 115 HG LEU 20 HG LEU 20 -3.823 1.639 2.911 116 HD11 LEU 20 1HD1 LEU 20 -2.302 -0.073 2.621 117 HD12 LEU 20 2HD1 LEU 20 -3.831 -0.948 2.705 118 HD13 LEU 20 3HD1 LEU 20 -2.772 -0.886 4.114 119 HD21 LEU 20 1HD2 LEU 20 -5.904 1.467 3.768 120 HD22 LEU 20 2HD2 LEU 20 -5.375 0.507 5.150 121 HD23 LEU 20 3HD2 LEU 20 -5.605 -0.260 3.578 122 H CYS 21 H CYS 21 -0.701 3.564 4.969 123 HA CYS 21 HA CYS 21 -0.051 3.472 7.704 124 HB2 CYS 21 1HB CYS 21 2.070 4.553 7.027 125 HB3 CYS 21 2HB CYS 21 1.650 3.195 5.989 126 H ASN 22 H ASN 22 -1.685 5.824 5.904 127 HA ASN 22 HA ASN 22 -2.545 7.859 6.452 128 HB2 ASN 22 1HB ASN 22 -2.669 6.586 8.765 129 HB3 ASN 22 2HB ASN 22 -1.411 7.733 9.216 130 HD21 ASN 22 1HD2 ASN 22 -4.727 7.357 8.221 131 HD22 ASN 22 2HD2 ASN 22 -5.257 8.929 8.705 132 H GLN 23 H GLN 23 -0.205 7.912 5.116 133 HA GLN 23 HA GLN 23 1.310 10.076 6.422 134 HB2 GLN 23 1HB GLN 23 2.196 7.780 4.727 135 HB3 GLN 23 2HB GLN 23 3.105 9.284 4.660 136 HG2 GLN 23 1HG GLN 23 2.493 7.900 7.249 137 HG3 GLN 23 2HG GLN 23 3.912 7.509 6.279 138 HE21 GLN 23 1HE2 GLN 23 3.428 8.831 8.973 139 HE22 GLN 23 2HE2 GLN 23 4.394 10.262 8.910 140 H VAL 24 H VAL 24 2.077 11.784 5.079 141 HA VAL 24 HA VAL 24 0.188 12.689 3.185 142 HB VAL 24 HB VAL 24 1.767 14.529 2.746 143 HG11 VAL 24 1HG1 VAL 24 0.256 14.567 4.706 144 HG12 VAL 24 2HG1 VAL 24 1.559 13.893 5.687 145 HG13 VAL 24 3HG1 VAL 24 1.738 15.489 4.958 146 HG21 VAL 24 1HG2 VAL 24 3.774 14.232 4.607 147 HG22 VAL 24 2HG2 VAL 24 3.651 12.625 3.890 148 HG23 VAL 24 3HG2 VAL 24 3.943 14.029 2.863 149 H SER 25 H SER 25 0.160 12.673 0.994 150 HA SER 25 HA SER 25 1.188 10.677 -0.502 151 HB2 SER 25 1HB SER 25 0.610 11.891 -2.434 152 HB3 SER 25 2HB SER 25 -0.439 12.562 -1.185 153 HG SER 25 HG SER 25 2.016 13.674 -2.082 154 H TYR 26 H TYR 26 3.114 10.042 -1.217 155 HA TYR 26 HA TYR 26 5.201 11.887 -1.892 156 HB2 TYR 26 1HB TYR 26 6.708 11.548 -0.181 157 HB3 TYR 26 2HB TYR 26 5.194 11.498 0.716 158 HD1 TYR 26 HD1 TYR 26 7.854 9.399 -0.771 159 HD2 TYR 26 HD2 TYR 26 4.517 9.538 1.865 160 HE1 TYR 26 HE1 TYR 26 8.438 7.165 0.076 161 HE2 TYR 26 HE2 TYR 26 5.093 7.305 2.720 162 HH TYR 26 HH TYR 26 6.383 5.496 2.423 163 H GLY 27 H GLY 27 7.107 10.800 -2.767 164 HA2 GLY 27 1HA GLY 27 8.050 9.253 -4.177 165 HA3 GLY 27 2HA GLY 27 7.401 8.051 -3.071 166 H GLU 28 H GLU 28 6.929 6.600 -4.733 167 HA GLU 28 HA GLU 28 5.172 7.403 -6.885 168 HB2 GLU 28 1HB GLU 28 6.504 4.819 -6.116 169 HB3 GLU 28 2HB GLU 28 5.267 4.866 -7.365 170 HG2 GLU 28 1HG GLU 28 7.550 4.958 -8.267 171 HG3 GLU 28 2HG GLU 28 6.586 6.372 -8.691 172 H MET 29 H MET 29 3.028 7.025 -7.053 173 HA MET 29 HA MET 29 1.721 5.355 -5.032 174 HB2 MET 29 1HB MET 29 1.282 8.269 -5.507 175 HB3 MET 29 2HB MET 29 -0.107 7.271 -5.098 176 HG2 MET 29 1HG MET 29 1.092 6.515 -3.069 177 HG3 MET 29 2HG MET 29 2.392 7.637 -3.465 178 HE1 MET 29 1HE MET 29 -1.436 8.225 -1.351 179 HE2 MET 29 2HE MET 29 -0.462 6.803 -1.725 180 HE3 MET 29 3HE MET 29 0.082 7.947 -0.497 181 H ILE 30 H ILE 30 -0.582 4.908 -5.600 182 HA ILE 30 HA ILE 30 -1.142 5.117 -8.468 183 HB ILE 30 HB ILE 30 -1.668 2.810 -8.721 184 HG12 ILE 30 1HG1 ILE 30 -2.534 2.635 -6.305 185 HG13 ILE 30 2HG1 ILE 30 -1.760 1.214 -6.996 186 HG21 ILE 30 1HG2 ILE 30 0.942 2.983 -7.222 187 HG22 ILE 30 2HG2 ILE 30 0.486 1.756 -8.403 188 HG23 ILE 30 3HG2 ILE 30 0.711 3.429 -8.913 189 HD11 ILE 30 1HD1 ILE 30 -1.190 2.116 -4.572 190 HD12 ILE 30 2HD1 ILE 30 0.015 1.336 -5.596 191 HD13 ILE 30 3HD1 ILE 30 -0.045 3.095 -5.489 192 H GLY 31 H GLY 31 -3.343 4.985 -9.025 193 HA2 GLY 31 1HA GLY 31 -5.132 5.601 -6.788 194 HA3 GLY 31 2HA GLY 31 -5.447 5.931 -8.486 195 H CYS 32 H CYS 32 -6.275 4.006 -5.930 196 HA CYS 32 HA CYS 32 -6.578 1.449 -6.924 197 HB2 CYS 32 1HB CYS 32 -7.058 2.017 -4.601 198 HB3 CYS 32 2HB CYS 32 -8.447 2.977 -5.100 199 H ASP 33 H ASP 33 -7.421 0.878 -8.814 200 HA ASP 33 HA ASP 33 -8.986 2.247 -10.536 201 HB2 ASP 33 1HB ASP 33 -7.983 -0.152 -10.703 202 HB3 ASP 33 2HB ASP 33 -9.565 -0.670 -10.128 203 H ASN 34 H ASN 34 -10.113 0.421 -7.738 204 HA ASN 34 HA ASN 34 -12.874 0.612 -8.266 205 HB2 ASN 34 1HB ASN 34 -11.861 -0.947 -6.614 206 HB3 ASN 34 2HB ASN 34 -11.511 0.428 -5.570 207 HD21 ASN 34 1HD2 ASN 34 -12.862 0.474 -3.938 208 HD22 ASN 34 2HD2 ASN 34 -14.558 0.153 -4.006 209 H GLU 35 H GLU 35 -13.680 2.585 -8.746 210 HA GLU 35 HA GLU 35 -12.912 5.046 -7.782 211 HB2 GLU 35 1HB GLU 35 -15.638 4.087 -8.655 212 HB3 GLU 35 2HB GLU 35 -15.274 5.773 -8.318 213 HG2 GLU 35 1HG GLU 35 -13.908 4.083 -10.400 214 HG3 GLU 35 2HG GLU 35 -15.191 5.252 -10.709 215 H GLN 36 H GLN 36 -15.515 2.976 -6.506 216 HA GLN 36 HA GLN 36 -16.541 4.436 -4.495 217 HB2 GLN 36 1HB GLN 36 -15.820 1.529 -4.608 218 HB3 GLN 36 2HB GLN 36 -16.512 2.205 -3.140 219 HG2 GLN 36 1HG GLN 36 -17.891 2.742 -5.712 220 HG3 GLN 36 2HG GLN 36 -18.009 1.125 -5.019 221 HE21 GLN 36 1HE2 GLN 36 -19.088 4.348 -4.884 222 HE22 GLN 36 2HE2 GLN 36 -20.136 4.189 -3.520 223 H CYS 37 H CYS 37 -13.397 2.830 -4.435 224 HA CYS 37 HA CYS 37 -12.656 3.101 -1.817 225 HB2 CYS 37 1HB CYS 37 -11.356 2.260 -3.972 226 HB3 CYS 37 2HB CYS 37 -10.646 3.869 -3.885 227 HA PRO 38 HA PRO 38 -13.047 7.548 -1.351 228 HB2 PRO 38 1HB PRO 38 -12.683 7.531 1.340 229 HB3 PRO 38 2HB PRO 38 -14.221 7.112 0.576 230 HG2 PRO 38 1HG PRO 38 -12.076 5.310 1.630 231 HG3 PRO 38 2HG PRO 38 -13.835 5.174 1.802 232 HD2 PRO 38 1HD PRO 38 -12.432 3.726 -0.005 233 HD3 PRO 38 2HD PRO 38 -14.097 4.267 -0.301 234 H ILE 39 H ILE 39 -10.393 5.549 -1.133 235 HA ILE 39 HA ILE 39 -8.610 7.715 -0.251 236 HB ILE 39 HB ILE 39 -7.934 4.791 -0.580 237 HG12 ILE 39 1HG1 ILE 39 -8.412 6.281 2.004 238 HG13 ILE 39 2HG1 ILE 39 -9.652 5.317 1.208 239 HG21 ILE 39 1HG2 ILE 39 -5.900 5.293 0.554 240 HG22 ILE 39 2HG2 ILE 39 -6.074 6.457 -0.759 241 HG23 ILE 39 3HG2 ILE 39 -6.430 6.939 0.899 242 HD11 ILE 39 1HD1 ILE 39 -8.478 3.320 1.573 243 HD12 ILE 39 2HD1 ILE 39 -6.992 4.176 1.990 244 HD13 ILE 39 3HD1 ILE 39 -8.372 4.217 3.088 245 H GLU 40 H GLU 40 -8.709 5.089 -2.667 246 HA GLU 40 HA GLU 40 -7.636 4.882 -4.684 247 HB2 GLU 40 1HB GLU 40 -9.097 7.478 -4.706 248 HB3 GLU 40 2HB GLU 40 -8.036 7.123 -6.062 249 HG2 GLU 40 1HG GLU 40 -9.252 5.026 -6.446 250 HG3 GLU 40 2HG GLU 40 -10.337 5.430 -5.117 251 H TRP 41 H TRP 41 -5.859 5.647 -2.617 252 HA TRP 41 HA TRP 41 -3.694 6.646 -4.202 253 HB2 TRP 41 1HB TRP 41 -4.759 8.348 -1.941 254 HB3 TRP 41 2HB TRP 41 -3.175 8.568 -2.679 255 HD1 TRP 41 HD1 TRP 41 -6.543 9.900 -2.893 256 HE1 TRP 41 HE1 TRP 41 -6.937 11.121 -5.125 257 HE3 TRP 41 HE3 TRP 41 -2.498 8.164 -5.494 258 HZ2 TRP 41 HZ2 TRP 41 -5.698 11.321 -7.653 259 HZ3 TRP 41 HZ3 TRP 41 -2.175 8.919 -7.814 260 HH2 TRP 41 HH2 TRP 41 -3.743 10.464 -8.869 261 H PHE 42 H PHE 42 -2.192 5.211 -3.662 262 HA PHE 42 HA PHE 42 -1.505 4.877 -0.847 263 HB2 PHE 42 1HB PHE 42 -1.952 2.501 -2.664 264 HB3 PHE 42 2HB PHE 42 -1.476 2.456 -0.970 265 HD1 PHE 42 HD1 PHE 42 -4.230 3.104 -3.304 266 HD2 PHE 42 HD2 PHE 42 -3.080 2.763 0.780 267 HE1 PHE 42 HE1 PHE 42 -6.599 3.013 -2.647 268 HE2 PHE 42 HE2 PHE 42 -5.447 2.671 1.443 269 HZ PHE 42 HZ PHE 42 -7.211 2.796 -0.272 270 H HIS 43 H HIS 43 0.624 4.020 -0.507 271 HA HIS 43 HA HIS 43 2.467 4.852 -2.563 272 HB2 HIS 43 1HB HIS 43 3.048 3.590 0.125 273 HB3 HIS 43 2HB HIS 43 4.202 4.427 -0.909 274 HD2 HIS 43 HD2 HIS 43 2.494 7.161 -1.469 275 HE1 HIS 43 HE1 HIS 43 2.369 7.457 2.761 276 HE2 HIS 43 HE2 HIS 43 2.008 8.663 0.580 277 H PHE 44 H PHE 44 4.229 3.509 -3.332 278 HA PHE 44 HA PHE 44 3.310 0.993 -4.277 279 HB2 PHE 44 1HB PHE 44 5.870 2.531 -4.495 280 HB3 PHE 44 2HB PHE 44 5.835 0.842 -4.989 281 HD1 PHE 44 HD2 PHE 44 3.400 3.641 -5.374 282 HD2 PHE 44 HD1 PHE 44 5.835 0.716 -7.280 283 HE1 PHE 44 HE2 PHE 44 2.482 4.305 -7.559 284 HE2 PHE 44 HE1 PHE 44 4.922 1.376 -9.467 285 HZ PHE 44 HZ PHE 44 3.243 3.171 -9.609 286 H SER 45 H SER 45 6.131 1.780 -2.237 287 HA SER 45 HA SER 45 6.874 -0.759 -1.518 288 HB2 SER 45 1HB SER 45 7.981 1.477 -0.917 289 HB3 SER 45 2HB SER 45 6.894 1.507 0.472 290 HG SER 45 HG SER 45 8.536 0.431 1.303 291 H CYS 46 H CYS 46 4.291 1.210 -0.159 292 HA CYS 46 HA CYS 46 3.689 -0.493 2.024 293 HB2 CYS 46 1HB CYS 46 2.282 1.744 0.623 294 HB3 CYS 46 2HB CYS 46 1.368 0.733 1.738 295 H VAL 47 H VAL 47 2.181 -0.117 -1.179 296 HA VAL 47 HA VAL 47 0.479 -2.413 -0.756 297 HB VAL 47 HB VAL 47 -0.297 -2.011 -3.057 298 HG11 VAL 47 1HG1 VAL 47 -1.348 -0.816 -1.212 299 HG12 VAL 47 2HG1 VAL 47 -0.164 0.483 -1.364 300 HG13 VAL 47 3HG1 VAL 47 -1.316 0.181 -2.666 301 HG21 VAL 47 1HG2 VAL 47 0.638 0.344 -3.918 302 HG22 VAL 47 2HG2 VAL 47 2.079 -0.250 -3.093 303 HG23 VAL 47 3HG2 VAL 47 1.350 -1.200 -4.388 304 H SER 48 H SER 48 3.505 -2.600 -0.873 305 HA SER 48 HA SER 48 5.129 -3.939 -1.758 306 HB2 SER 48 1HB SER 48 3.666 -5.624 -0.708 307 HB3 SER 48 2HB SER 48 2.755 -5.764 -2.211 308 HG SER 48 HG SER 48 4.609 -7.300 -1.701 309 H LEU 49 H LEU 49 4.695 -2.082 -3.550 310 HA LEU 49 HA LEU 49 4.411 -3.495 -6.121 311 HB2 LEU 49 1HB LEU 49 3.494 -0.840 -5.194 312 HB3 LEU 49 2HB LEU 49 4.107 -0.933 -6.843 313 HG LEU 49 HG LEU 49 1.845 -2.600 -5.742 314 HD11 LEU 49 1HD1 LEU 49 1.869 0.109 -6.545 315 HD12 LEU 49 2HD1 LEU 49 0.481 -0.906 -6.155 316 HD13 LEU 49 3HD1 LEU 49 1.065 -0.813 -7.816 317 HD21 LEU 49 1HD2 LEU 49 3.474 -3.129 -7.883 318 HD22 LEU 49 2HD2 LEU 49 2.124 -2.274 -8.629 319 HD23 LEU 49 3HD2 LEU 49 1.828 -3.726 -7.673 320 H THR 50 H THR 50 5.966 -3.219 -7.672 321 HA THR 50 HA THR 50 8.445 -1.936 -6.763 322 HB THR 50 HB THR 50 8.117 -3.841 -9.085 323 HG1 THR 50 HG1 THR 50 8.258 -5.440 -7.693 324 HG21 THR 50 1HG2 THR 50 10.673 -3.740 -7.696 325 HG22 THR 50 2HG2 THR 50 10.221 -2.187 -8.400 326 HG23 THR 50 3HG2 THR 50 10.320 -3.623 -9.419 327 H TYR 51 H TYR 51 6.156 -2.021 -9.439 328 HA TYR 51 HA TYR 51 6.927 0.635 -10.237 329 HB2 TYR 51 1HB TYR 51 7.352 -0.063 -12.627 330 HB3 TYR 51 2HB TYR 51 8.614 -0.502 -11.481 331 HD1 TYR 51 HD2 TYR 51 5.909 -1.774 -13.612 332 HD2 TYR 51 HD1 TYR 51 9.055 -2.815 -10.943 333 HE1 TYR 51 HE2 TYR 51 5.742 -4.118 -14.338 334 HE2 TYR 51 HE1 TYR 51 8.898 -5.162 -11.664 335 HH TYR 51 HH TYR 51 7.401 -6.672 -12.706 336 H LYS 52 H LYS 52 5.452 1.589 -11.729 337 HA LYS 52 HA LYS 52 2.814 1.209 -11.330 338 HB2 LYS 52 1HB LYS 52 4.166 2.921 -12.846 339 HB3 LYS 52 2HB LYS 52 3.604 1.860 -14.131 340 HG2 LYS 52 1HG LYS 52 1.799 3.177 -12.116 341 HG3 LYS 52 2HG LYS 52 2.145 3.823 -13.721 342 HD2 LYS 52 1HD LYS 52 1.113 1.970 -14.785 343 HD3 LYS 52 2HD LYS 52 1.027 1.063 -13.273 344 HE2 LYS 52 1HE LYS 52 -0.718 2.352 -12.452 345 HE3 LYS 52 2HE LYS 52 -0.357 3.703 -13.526 346 HZ1 LYS 52 1HZ LYS 52 -2.266 1.784 -13.916 347 HZ2 LYS 52 2HZ LYS 52 -1.026 1.340 -14.977 348 HZ3 LYS 52 3HZ LYS 52 -1.706 2.886 -15.070 349 HA PRO 53 HA PRO 53 2.278 -2.908 -13.071 350 HB2 PRO 53 1HB PRO 53 -0.196 -3.275 -12.014 351 HB3 PRO 53 2HB PRO 53 1.290 -3.492 -11.081 352 HG2 PRO 53 1HG PRO 53 -0.570 -1.147 -11.165 353 HG3 PRO 53 2HG PRO 53 0.212 -1.905 -9.766 354 HD2 PRO 53 1HD PRO 53 1.140 0.374 -10.895 355 HD3 PRO 53 2HD PRO 53 2.212 -0.821 -10.137 356 H LYS 54 H LYS 54 1.737 -3.133 -15.140 357 HA LYS 54 HA LYS 54 0.327 -1.393 -16.716 358 HB2 LYS 54 1HB LYS 54 0.792 -4.352 -16.940 359 HB3 LYS 54 2HB LYS 54 -0.150 -3.499 -18.155 360 HG2 LYS 54 1HG LYS 54 2.630 -2.670 -17.378 361 HG3 LYS 54 2HG LYS 54 2.295 -3.831 -18.664 362 HD2 LYS 54 1HD LYS 54 1.041 -1.099 -18.609 363 HD3 LYS 54 2HD LYS 54 2.618 -1.393 -19.347 364 HE2 LYS 54 1HE LYS 54 1.456 -3.228 -20.685 365 HE3 LYS 54 2HE LYS 54 -0.058 -2.513 -20.135 366 HZ1 LYS 54 1HZ LYS 54 0.209 -1.351 -22.039 367 HZ2 LYS 54 2HZ LYS 54 1.894 -1.490 -22.042 368 HZ3 LYS 54 3HZ LYS 54 1.142 -0.351 -21.043 369 H GLY 55 H GLY 55 -1.794 -1.520 -17.707 370 HA2 GLY 55 1HA GLY 55 -4.082 -1.724 -17.651 371 HA3 GLY 55 2HA GLY 55 -3.852 -3.183 -16.700 372 H LYS 56 H LYS 56 -5.402 -2.883 -15.174 373 HA LYS 56 HA LYS 56 -5.458 -0.359 -13.698 374 HB2 LYS 56 1HB LYS 56 -7.315 -2.744 -13.658 375 HB3 LYS 56 2HB LYS 56 -7.522 -1.310 -12.661 376 HG2 LYS 56 1HG LYS 56 -8.910 -0.782 -14.379 377 HG3 LYS 56 2HG LYS 56 -7.408 -0.096 -15.002 378 HD2 LYS 56 1HD LYS 56 -7.170 -1.715 -16.595 379 HD3 LYS 56 2HD LYS 56 -7.992 -2.941 -15.626 380 HE2 LYS 56 1HE LYS 56 -9.540 -0.607 -16.658 381 HE3 LYS 56 2HE LYS 56 -9.136 -1.926 -17.756 382 HZ1 LYS 56 1HZ LYS 56 -10.444 -2.404 -15.145 383 HZ2 LYS 56 2HZ LYS 56 -10.341 -3.447 -16.472 384 HZ3 LYS 56 3HZ LYS 56 -11.334 -2.080 -16.547 385 H TRP 57 H TRP 57 -5.988 -0.714 -11.252 386 HA TRP 57 HA TRP 57 -4.589 -2.949 -10.057 387 HB2 TRP 57 1HB TRP 57 -2.696 -1.535 -10.429 388 HB3 TRP 57 2HB TRP 57 -3.562 -0.117 -9.843 389 HD1 TRP 57 HD1 TRP 57 -1.577 -3.119 -8.639 390 HE1 TRP 57 HE1 TRP 57 -1.152 -2.888 -6.111 391 HE3 TRP 57 HE3 TRP 57 -4.618 0.873 -7.666 392 HZ2 TRP 57 HZ2 TRP 57 -1.995 -1.233 -3.986 393 HZ3 TRP 57 HZ3 TRP 57 -4.753 1.719 -5.360 394 HH2 TRP 57 HH2 TRP 57 -3.468 0.686 -3.559 395 H TYR 58 H TYR 58 -5.474 -3.481 -8.151 396 HA TYR 58 HA TYR 58 -7.316 -1.539 -6.918 397 HB2 TYR 58 1HB TYR 58 -7.448 -4.542 -7.128 398 HB3 TYR 58 2HB TYR 58 -8.411 -3.648 -5.957 399 HD1 TYR 58 HD1 TYR 58 -7.660 -3.728 -9.615 400 HD2 TYR 58 HD2 TYR 58 -10.520 -2.911 -6.572 401 HE1 TYR 58 HE1 TYR 58 -9.371 -3.331 -11.337 402 HE2 TYR 58 HE2 TYR 58 -12.239 -2.513 -8.285 403 HH TYR 58 HH TYR 58 -12.719 -2.979 -10.554 404 H CYS 59 H CYS 59 -6.948 -0.928 -4.885 405 HA CYS 59 HA CYS 59 -4.589 -1.456 -3.535 406 HB2 CYS 59 1HB CYS 59 -5.475 -0.236 -1.729 407 HB3 CYS 59 2HB CYS 59 -6.301 0.416 -3.140 408 HA PRO 60 HA PRO 60 -5.032 -5.351 -1.562 409 HB2 PRO 60 1HB PRO 60 -3.675 -4.929 0.751 410 HB3 PRO 60 2HB PRO 60 -2.875 -5.085 -0.817 411 HG2 PRO 60 1HG PRO 60 -3.570 -2.610 0.717 412 HG3 PRO 60 2HG PRO 60 -2.081 -3.000 -0.162 413 HD2 PRO 60 1HD PRO 60 -4.005 -1.400 -1.195 414 HD3 PRO 60 2HD PRO 60 -2.994 -2.452 -2.206 415 H LYS 61 H LYS 61 -6.658 -2.668 -0.527 416 HA LYS 61 HA LYS 61 -7.765 -3.926 1.873 417 HB2 LYS 61 1HB LYS 61 -7.060 -1.361 1.473 418 HB3 LYS 61 2HB LYS 61 -8.742 -1.275 0.968 419 HG2 LYS 61 1HG LYS 61 -9.103 -2.569 3.252 420 HG3 LYS 61 2HG LYS 61 -7.585 -1.762 3.651 421 HD2 LYS 61 1HD LYS 61 -8.513 0.342 3.514 422 HD3 LYS 61 2HD LYS 61 -9.796 -0.180 2.420 423 HE2 LYS 61 1HE LYS 61 -9.672 -1.173 5.246 424 HE3 LYS 61 2HE LYS 61 -10.400 0.387 4.864 425 HZ1 LYS 61 1HZ LYS 61 -11.389 -1.574 3.099 426 HZ2 LYS 61 2HZ LYS 61 -12.238 -0.636 4.221 427 HZ3 LYS 61 3HZ LYS 61 -11.576 -2.122 4.688 428 H CYS 62 H CYS 62 -8.548 -3.134 -1.414 429 HA CYS 62 HA CYS 62 -11.377 -3.724 -1.027 430 HB2 CYS 62 1HB CYS 62 -9.785 -2.813 -3.427 431 HB3 CYS 62 2HB CYS 62 -11.496 -3.219 -3.505 432 H ARG 63 H ARG 63 -8.651 -4.936 -2.970 433 HA ARG 63 HA ARG 63 -9.935 -7.102 -4.147 434 HB2 ARG 63 1HB ARG 63 -7.791 -7.941 -4.677 435 HB3 ARG 63 2HB ARG 63 -7.611 -6.192 -4.639 436 HG2 ARG 63 1HG ARG 63 -6.474 -6.244 -2.586 437 HG3 ARG 63 2HG ARG 63 -6.961 -7.910 -2.267 438 HD2 ARG 63 1HD ARG 63 -5.239 -7.157 -4.612 439 HD3 ARG 63 2HD ARG 63 -4.561 -7.527 -3.027 440 HE ARG 63 HE ARG 63 -5.491 -9.393 -4.945 441 HH11 ARG 63 1HH1 ARG 63 -5.368 -8.801 -1.516 442 HH12 ARG 63 2HH1 ARG 63 -5.419 -10.480 -1.092 443 HH21 ARG 63 1HH2 ARG 63 -5.559 -11.607 -4.399 444 HH22 ARG 63 2HH2 ARG 63 -5.527 -12.075 -2.733 445 H GLY 64 H GLY 64 -8.792 -6.675 -0.900 446 HA2 GLY 64 1HA GLY 64 -8.286 -9.097 0.133 447 HA3 GLY 64 2HA GLY 64 -9.330 -7.954 0.964 448 H ASP 65 H ASP 65 -9.126 -10.988 -0.505 449 HA ASP 65 HA ASP 65 -11.847 -11.338 -1.253 450 HB2 ASP 65 1HB ASP 65 -9.777 -12.726 -1.948 451 HB3 ASP 65 2HB ASP 65 -10.028 -13.588 -0.432 452 H SER 66 H SER 66 -13.424 -11.098 0.199 453 HA SER 66 HA SER 66 -13.101 -11.648 2.978 454 HB2 SER 66 1HB SER 66 -14.656 -9.921 2.171 455 HB3 SER 66 2HB SER 66 -15.629 -11.162 1.381 456 HG SER 66 HG SER 66 -16.629 -11.245 3.225 457 H GLY 67 H GLY 67 -14.804 -13.064 4.117 458 HA2 GLY 67 1HA GLY 67 -15.780 -15.365 2.736 459 HA3 GLY 67 2HA GLY 67 -14.303 -15.727 3.618 460 HA PRO 68 HA PRO 68 -16.425 -16.117 7.434 461 HB2 PRO 68 1HB PRO 68 -15.123 -14.501 9.184 462 HB3 PRO 68 2HB PRO 68 -14.423 -15.997 8.555 463 HG2 PRO 68 1HG PRO 68 -13.953 -13.173 7.681 464 HG3 PRO 68 2HG PRO 68 -12.780 -14.482 7.916 465 HD2 PRO 68 1HD PRO 68 -13.699 -13.771 5.470 466 HD3 PRO 68 2HD PRO 68 -13.251 -15.441 5.874 467 H SER 69 H SER 69 -15.903 -12.746 6.517 468 HA SER 69 HA SER 69 -18.048 -11.789 8.196 469 HB2 SER 69 1HB SER 69 -16.593 -10.284 6.015 470 HB3 SER 69 2HB SER 69 -17.506 -9.601 7.360 471 HG SER 69 HG SER 69 -15.672 -9.614 8.373 472 H SER 70 H SER 70 -19.854 -10.523 7.287 473 HA SER 70 HA SER 70 -21.495 -11.991 5.651 474 HB2 SER 70 1HB SER 70 -21.428 -9.054 6.296 475 HB3 SER 70 2HB SER 70 -22.651 -9.710 5.209 476 HG SER 70 HG SER 70 -23.080 -11.247 6.984 477 H GLY 71 H GLY 71 -19.571 -9.150 4.668 478 HA2 GLY 71 1HA GLY 71 -18.573 -8.672 2.644 479 HA3 GLY 71 2HA GLY 71 -18.964 -10.304 2.122 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 1.267 31.140 36.613 2 HA2 GLY 1 1HA GLY 1 2.066 31.122 34.194 3 HA3 GLY 1 2HA GLY 1 3.604 30.629 34.886 4 H SER 2 H SER 2 0.189 29.666 35.268 5 HA SER 2 HA SER 2 0.609 27.037 35.976 6 HB2 SER 2 1HB SER 2 -1.600 28.008 36.094 7 HB3 SER 2 2HB SER 2 -1.645 28.228 34.345 8 HG SER 2 HG SER 2 -1.479 25.893 34.206 9 H SER 3 H SER 3 2.005 25.741 34.946 10 HA SER 3 HA SER 3 1.618 25.351 32.050 11 HB2 SER 3 1HB SER 3 3.960 25.073 31.731 12 HB3 SER 3 2HB SER 3 3.778 26.523 32.717 13 HG SER 3 HG SER 3 4.780 25.560 34.296 14 H GLY 4 H GLY 4 2.077 23.213 31.248 15 HA2 GLY 4 1HA GLY 4 2.008 21.121 33.330 16 HA3 GLY 4 2HA GLY 4 0.882 21.089 31.980 17 H SER 5 H SER 5 1.443 19.927 30.264 18 HA SER 5 HA SER 5 4.278 19.174 29.979 19 HB2 SER 5 1HB SER 5 2.428 17.396 30.489 20 HB3 SER 5 2HB SER 5 2.039 17.575 28.778 21 HG SER 5 HG SER 5 4.714 17.195 29.491 22 H SER 6 H SER 6 4.837 20.906 28.647 23 HA SER 6 HA SER 6 3.755 20.727 25.917 24 HB2 SER 6 1HB SER 6 4.358 23.251 27.472 25 HB3 SER 6 2HB SER 6 4.043 23.213 25.738 26 HG SER 6 HG SER 6 2.041 21.974 26.572 27 H GLY 7 H GLY 7 5.616 19.368 25.533 28 HA2 GLY 7 1HA GLY 7 8.260 20.486 25.818 29 HA3 GLY 7 2HA GLY 7 7.849 18.951 25.068 30 H GLU 8 H GLU 8 9.389 19.474 23.414 31 HA GLU 8 HA GLU 8 9.410 21.716 21.808 32 HB2 GLU 8 1HB GLU 8 10.479 20.341 20.107 33 HB3 GLU 8 2HB GLU 8 11.099 19.931 21.699 34 HG2 GLU 8 1HG GLU 8 8.905 18.372 20.374 35 HG3 GLU 8 2HG GLU 8 10.613 18.009 20.132 36 H PHE 9 H PHE 9 8.216 22.488 20.158 37 HA PHE 9 HA PHE 9 5.626 21.307 19.699 38 HB2 PHE 9 1HB PHE 9 6.976 23.833 18.778 39 HB3 PHE 9 2HB PHE 9 5.440 23.319 18.087 40 HD1 PHE 9 HD1 PHE 9 3.498 22.918 19.696 41 HD2 PHE 9 HD2 PHE 9 7.036 25.029 20.767 42 HE1 PHE 9 HE1 PHE 9 2.301 23.964 21.574 43 HE2 PHE 9 HE2 PHE 9 5.845 26.077 22.647 44 HZ PHE 9 HZ PHE 9 3.475 25.545 23.054 45 H ALA 10 H ALA 10 4.793 21.186 17.398 46 HA ALA 10 HA ALA 10 6.852 20.258 15.523 47 HB1 ALA 10 1HB ALA 10 6.201 18.139 15.586 48 HB2 ALA 10 2HB ALA 10 5.143 18.542 16.939 49 HB3 ALA 10 3HB ALA 10 4.525 18.601 15.288 50 H ILE 11 H ILE 11 6.618 21.210 13.616 51 HA ILE 11 HA ILE 11 4.047 22.453 12.959 52 HB ILE 11 HB ILE 11 6.777 22.866 11.734 53 HG12 ILE 11 1HG1 ILE 11 5.196 24.907 13.269 54 HG13 ILE 11 2HG1 ILE 11 6.193 23.733 14.121 55 HG21 ILE 11 1HG2 ILE 11 4.786 23.152 10.200 56 HG22 ILE 11 2HG2 ILE 11 4.301 24.496 11.232 57 HG23 ILE 11 3HG2 ILE 11 5.840 24.554 10.373 58 HD11 ILE 11 1HD1 ILE 11 7.067 25.849 12.184 59 HD12 ILE 11 2HD1 ILE 11 7.506 25.665 13.882 60 HD13 ILE 11 3HD1 ILE 11 8.113 24.521 12.686 61 H ASP 12 H ASP 12 2.775 21.685 11.403 62 HA ASP 12 HA ASP 12 3.925 19.916 9.361 63 HB2 ASP 12 1HB ASP 12 1.821 18.508 9.564 64 HB3 ASP 12 2HB ASP 12 2.974 18.364 10.887 65 HA PRO 13 HA PRO 13 1.621 22.368 6.535 66 HB2 PRO 13 1HB PRO 13 1.344 20.595 4.498 67 HB3 PRO 13 2HB PRO 13 2.877 21.388 4.880 68 HG2 PRO 13 1HG PRO 13 1.932 18.642 5.607 69 HG3 PRO 13 2HG PRO 13 3.525 19.159 5.027 70 HD2 PRO 13 1HD PRO 13 3.014 18.676 7.641 71 HD3 PRO 13 2HD PRO 13 4.182 19.902 7.107 72 H ASN 14 H ASN 14 0.295 19.936 8.294 73 HA ASN 14 HA ASN 14 -1.832 19.267 8.741 74 HB2 ASN 14 1HB ASN 14 -2.360 21.640 8.807 75 HB3 ASN 14 2HB ASN 14 -2.528 21.680 7.054 76 HD21 ASN 14 1HD2 ASN 14 -3.815 20.023 9.907 77 HD22 ASN 14 2HD2 ASN 14 -5.441 19.931 9.333 78 H GLU 15 H GLU 15 -0.409 18.186 6.456 79 HA GLU 15 HA GLU 15 -2.335 17.806 4.349 80 HB2 GLU 15 1HB GLU 15 0.186 17.821 4.055 81 HB3 GLU 15 2HB GLU 15 0.196 16.230 4.803 82 HG2 GLU 15 1HG GLU 15 0.197 15.726 2.559 83 HG3 GLU 15 2HG GLU 15 -1.513 15.613 2.970 84 HA PRO 16 HA PRO 16 -4.467 14.468 6.340 85 HB2 PRO 16 1HB PRO 16 -5.946 13.710 4.193 86 HB3 PRO 16 2HB PRO 16 -6.309 15.152 5.150 87 HG2 PRO 16 1HG PRO 16 -4.867 14.926 2.536 88 HG3 PRO 16 2HG PRO 16 -6.088 16.109 3.042 89 HD2 PRO 16 1HD PRO 16 -3.438 16.663 3.036 90 HD3 PRO 16 2HD PRO 16 -4.559 17.374 4.214 91 H THR 17 H THR 17 -4.864 12.128 5.944 92 HA THR 17 HA THR 17 -2.620 10.938 4.449 93 HB THR 17 HB THR 17 -2.633 9.088 6.009 94 HG1 THR 17 HG1 THR 17 -5.021 10.282 6.827 95 HG21 THR 17 1HG2 THR 17 -2.266 11.854 6.893 96 HG22 THR 17 2HG2 THR 17 -1.200 10.459 7.064 97 HG23 THR 17 3HG2 THR 17 -2.513 10.712 8.213 98 H TYR 18 H TYR 18 -2.978 8.923 3.387 99 HA TYR 18 HA TYR 18 -5.800 8.268 2.885 100 HB2 TYR 18 1HB TYR 18 -3.625 8.566 0.806 101 HB3 TYR 18 2HB TYR 18 -5.221 7.895 0.489 102 HD1 TYR 18 HD2 TYR 18 -3.673 10.964 1.963 103 HD2 TYR 18 HD1 TYR 18 -6.833 9.312 -0.359 104 HE1 TYR 18 HE2 TYR 18 -4.532 13.228 1.531 105 HE2 TYR 18 HE1 TYR 18 -7.699 11.571 -0.799 106 HH TYR 18 HH TYR 18 -7.605 13.768 0.003 107 H CYS 19 H CYS 19 -2.535 7.117 2.013 108 HA CYS 19 HA CYS 19 -2.998 4.479 1.619 109 HB2 CYS 19 1HB CYS 19 -0.770 5.766 1.589 110 HB3 CYS 19 2HB CYS 19 -0.656 5.354 3.297 111 H LEU 20 H LEU 20 -2.512 2.587 3.047 112 HA LEU 20 HA LEU 20 -4.288 2.536 5.231 113 HB2 LEU 20 1HB LEU 20 -2.061 0.600 4.618 114 HB3 LEU 20 2HB LEU 20 -3.468 0.294 5.634 115 HG LEU 20 HG LEU 20 -3.895 1.019 2.773 116 HD11 LEU 20 1HD1 LEU 20 -2.699 -1.516 3.784 117 HD12 LEU 20 2HD1 LEU 20 -2.374 -0.630 2.294 118 HD13 LEU 20 3HD1 LEU 20 -3.854 -1.577 2.452 119 HD21 LEU 20 1HD2 LEU 20 -5.956 0.698 3.592 120 HD22 LEU 20 2HD2 LEU 20 -5.369 -0.197 4.993 121 HD23 LEU 20 3HD2 LEU 20 -5.575 -1.017 3.445 122 H CYS 21 H CYS 21 -0.873 3.177 4.991 123 HA CYS 21 HA CYS 21 -0.329 2.866 7.789 124 HB2 CYS 21 1HB CYS 21 1.851 3.885 7.246 125 HB3 CYS 21 2HB CYS 21 1.452 2.568 6.148 126 H ASN 22 H ASN 22 -2.285 4.962 6.391 127 HA ASN 22 HA ASN 22 -2.989 7.105 6.760 128 HB2 ASN 22 1HB ASN 22 -2.935 7.748 9.219 129 HB3 ASN 22 2HB ASN 22 -3.725 6.220 8.840 130 HD21 ASN 22 1HD2 ASN 22 -0.732 7.656 9.999 131 HD22 ASN 22 2HD2 ASN 22 -0.220 6.288 10.922 132 H GLN 23 H GLN 23 -0.728 7.357 5.464 133 HA GLN 23 HA GLN 23 0.741 9.457 6.915 134 HB2 GLN 23 1HB GLN 23 1.785 7.267 5.143 135 HB3 GLN 23 2HB GLN 23 2.686 8.763 5.353 136 HG2 GLN 23 1HG GLN 23 1.786 7.113 7.688 137 HG3 GLN 23 2HG GLN 23 3.300 6.798 6.842 138 HE21 GLN 23 1HE2 GLN 23 1.764 8.599 9.234 139 HE22 GLN 23 2HE2 GLN 23 3.041 9.714 9.570 140 H VAL 24 H VAL 24 1.643 11.148 5.578 141 HA VAL 24 HA VAL 24 -0.177 12.157 3.693 142 HB VAL 24 HB VAL 24 1.523 13.871 3.206 143 HG11 VAL 24 1HG1 VAL 24 1.721 14.768 5.495 144 HG12 VAL 24 2HG1 VAL 24 0.100 14.168 5.140 145 HG13 VAL 24 3HG1 VAL 24 1.199 13.208 6.130 146 HG21 VAL 24 1HG2 VAL 24 3.710 13.809 4.025 147 HG22 VAL 24 2HG2 VAL 24 3.347 12.511 5.163 148 HG23 VAL 24 3HG2 VAL 24 3.434 12.170 3.435 149 H SER 25 H SER 25 0.030 12.491 1.444 150 HA SER 25 HA SER 25 0.961 10.260 -0.004 151 HB2 SER 25 1HB SER 25 0.117 11.323 -1.919 152 HB3 SER 25 2HB SER 25 -0.888 11.964 -0.620 153 HG SER 25 HG SER 25 0.061 13.880 -0.801 154 H TYR 26 H TYR 26 2.876 9.803 -0.879 155 HA TYR 26 HA TYR 26 4.726 11.848 -1.690 156 HB2 TYR 26 1HB TYR 26 6.417 11.557 -0.129 157 HB3 TYR 26 2HB TYR 26 4.979 11.457 0.881 158 HD1 TYR 26 HD2 TYR 26 4.076 9.096 1.394 159 HD2 TYR 26 HD1 TYR 26 7.990 9.836 -0.100 160 HE1 TYR 26 HE2 TYR 26 4.799 6.892 2.213 161 HE2 TYR 26 HE1 TYR 26 8.724 7.634 0.714 162 HH TYR 26 HH TYR 26 7.261 5.284 1.232 163 H GLY 27 H GLY 27 6.877 10.763 -2.383 164 HA2 GLY 27 1HA GLY 27 7.842 9.350 -3.920 165 HA3 GLY 27 2HA GLY 27 7.170 8.076 -2.913 166 H GLU 28 H GLU 28 6.539 6.655 -4.461 167 HA GLU 28 HA GLU 28 4.900 7.604 -6.682 168 HB2 GLU 28 1HB GLU 28 6.141 4.923 -6.063 169 HB3 GLU 28 2HB GLU 28 5.068 5.194 -7.429 170 HG2 GLU 28 1HG GLU 28 7.435 5.263 -8.057 171 HG3 GLU 28 2HG GLU 28 6.604 6.783 -8.383 172 H MET 29 H MET 29 2.761 7.251 -6.874 173 HA MET 29 HA MET 29 1.444 5.360 -5.081 174 HB2 MET 29 1HB MET 29 0.987 8.321 -5.133 175 HB3 MET 29 2HB MET 29 -0.342 7.238 -4.743 176 HG2 MET 29 1HG MET 29 0.973 6.301 -2.902 177 HG3 MET 29 2HG MET 29 2.285 7.414 -3.286 178 HE1 MET 29 1HE MET 29 -1.375 7.021 -2.051 179 HE2 MET 29 2HE MET 29 -0.220 6.825 -0.733 180 HE3 MET 29 3HE MET 29 -1.342 8.186 -0.727 181 H ILE 30 H ILE 30 -0.417 4.472 -5.902 182 HA ILE 30 HA ILE 30 -1.157 5.324 -8.625 183 HB ILE 30 HB ILE 30 -1.562 3.114 -9.264 184 HG12 ILE 30 1HG1 ILE 30 -2.849 2.477 -7.246 185 HG13 ILE 30 2HG1 ILE 30 -1.714 1.225 -7.738 186 HG21 ILE 30 1HG2 ILE 30 0.864 3.226 -7.493 187 HG22 ILE 30 2HG2 ILE 30 0.504 1.845 -8.527 188 HG23 ILE 30 3HG2 ILE 30 0.775 3.434 -9.242 189 HD11 ILE 30 1HD1 ILE 30 -1.204 1.206 -5.558 190 HD12 ILE 30 2HD1 ILE 30 -0.203 2.597 -5.977 191 HD13 ILE 30 3HD1 ILE 30 -1.809 2.841 -5.293 192 H GLY 31 H GLY 31 -3.365 5.202 -9.224 193 HA2 GLY 31 1HA GLY 31 -5.161 5.681 -6.981 194 HA3 GLY 31 2HA GLY 31 -5.508 5.980 -8.678 195 H CYS 32 H CYS 32 -6.034 3.935 -6.060 196 HA CYS 32 HA CYS 32 -6.322 1.407 -7.047 197 HB2 CYS 32 1HB CYS 32 -6.764 1.864 -4.728 198 HB3 CYS 32 2HB CYS 32 -8.127 2.900 -5.138 199 H ASP 33 H ASP 33 -7.138 0.872 -8.969 200 HA ASP 33 HA ASP 33 -8.789 2.105 -10.658 201 HB2 ASP 33 1HB ASP 33 -7.781 -0.317 -10.717 202 HB3 ASP 33 2HB ASP 33 -9.384 -0.788 -10.159 203 H ASN 34 H ASN 34 -9.853 0.363 -7.780 204 HA ASN 34 HA ASN 34 -12.624 0.531 -8.257 205 HB2 ASN 34 1HB ASN 34 -11.477 -0.944 -6.559 206 HB3 ASN 34 2HB ASN 34 -11.285 0.485 -5.548 207 HD21 ASN 34 1HD2 ASN 34 -12.662 0.309 -3.934 208 HD22 ASN 34 2HD2 ASN 34 -14.336 -0.096 -4.069 209 H GLU 35 H GLU 35 -13.636 2.399 -8.624 210 HA GLU 35 HA GLU 35 -12.795 4.926 -7.777 211 HB2 GLU 35 1HB GLU 35 -14.515 4.245 -9.599 212 HB3 GLU 35 2HB GLU 35 -15.685 4.296 -8.289 213 HG2 GLU 35 1HG GLU 35 -15.289 6.606 -7.911 214 HG3 GLU 35 2HG GLU 35 -13.891 6.603 -8.985 215 H GLN 36 H GLN 36 -15.544 3.015 -6.540 216 HA GLN 36 HA GLN 36 -16.474 4.492 -4.518 217 HB2 GLN 36 1HB GLN 36 -15.801 1.551 -4.344 218 HB3 GLN 36 2HB GLN 36 -16.860 2.401 -3.225 219 HG2 GLN 36 1HG GLN 36 -18.501 2.742 -4.859 220 HG3 GLN 36 2HG GLN 36 -17.392 2.356 -6.174 221 HE21 GLN 36 1HE2 GLN 36 -18.686 0.865 -3.223 222 HE22 GLN 36 2HE2 GLN 36 -18.948 -0.693 -3.921 223 H CYS 37 H CYS 37 -13.399 2.775 -4.481 224 HA CYS 37 HA CYS 37 -12.654 2.938 -1.856 225 HB2 CYS 37 1HB CYS 37 -11.370 2.099 -3.996 226 HB3 CYS 37 2HB CYS 37 -10.648 3.704 -3.941 227 HA PRO 38 HA PRO 38 -12.929 7.381 -1.253 228 HB2 PRO 38 1HB PRO 38 -12.604 7.267 1.440 229 HB3 PRO 38 2HB PRO 38 -14.142 6.919 0.643 230 HG2 PRO 38 1HG PRO 38 -12.068 5.019 1.666 231 HG3 PRO 38 2HG PRO 38 -13.833 4.932 1.811 232 HD2 PRO 38 1HD PRO 38 -12.449 3.500 -0.024 233 HD3 PRO 38 2HD PRO 38 -14.092 4.102 -0.324 234 H ILE 39 H ILE 39 -10.341 5.281 -1.026 235 HA ILE 39 HA ILE 39 -8.503 7.341 -0.025 236 HB ILE 39 HB ILE 39 -7.991 4.406 -0.528 237 HG12 ILE 39 1HG1 ILE 39 -8.256 5.880 2.100 238 HG13 ILE 39 2HG1 ILE 39 -9.543 4.927 1.370 239 HG21 ILE 39 1HG2 ILE 39 -5.819 4.729 -0.072 240 HG22 ILE 39 2HG2 ILE 39 -6.145 6.407 -0.505 241 HG23 ILE 39 3HG2 ILE 39 -6.159 5.915 1.188 242 HD11 ILE 39 1HD1 ILE 39 -7.986 3.910 3.203 243 HD12 ILE 39 2HD1 ILE 39 -8.515 2.939 1.828 244 HD13 ILE 39 3HD1 ILE 39 -6.901 3.649 1.838 245 H GLU 40 H GLU 40 -8.681 4.923 -2.644 246 HA GLU 40 HA GLU 40 -7.609 4.839 -4.670 247 HB2 GLU 40 1HB GLU 40 -8.958 7.488 -4.476 248 HB3 GLU 40 2HB GLU 40 -7.900 7.208 -5.852 249 HG2 GLU 40 1HG GLU 40 -9.924 5.138 -5.207 250 HG3 GLU 40 2HG GLU 40 -10.474 6.648 -5.931 251 H TRP 41 H TRP 41 -5.870 5.492 -2.450 252 HA TRP 41 HA TRP 41 -3.631 6.486 -3.970 253 HB2 TRP 41 1HB TRP 41 -4.662 8.015 -1.575 254 HB3 TRP 41 2HB TRP 41 -3.055 8.235 -2.262 255 HD1 TRP 41 HD1 TRP 41 -6.311 9.783 -2.376 256 HE1 TRP 41 HE1 TRP 41 -6.630 11.193 -4.505 257 HE3 TRP 41 HE3 TRP 41 -2.409 7.973 -5.139 258 HZ2 TRP 41 HZ2 TRP 41 -5.392 11.497 -7.024 259 HZ3 TRP 41 HZ3 TRP 41 -2.046 8.876 -7.399 260 HH2 TRP 41 HH2 TRP 41 -3.507 10.601 -8.320 261 H PHE 42 H PHE 42 -2.113 5.039 -3.537 262 HA PHE 42 HA PHE 42 -1.532 4.364 -0.758 263 HB2 PHE 42 1HB PHE 42 -1.900 2.227 -2.866 264 HB3 PHE 42 2HB PHE 42 -1.491 1.976 -1.172 265 HD1 PHE 42 HD1 PHE 42 -4.150 3.358 -3.370 266 HD2 PHE 42 HD2 PHE 42 -3.167 1.619 0.388 267 HE1 PHE 42 HE1 PHE 42 -6.544 3.192 -2.824 268 HE2 PHE 42 HE2 PHE 42 -5.558 1.450 0.940 269 HZ PHE 42 HZ PHE 42 -7.250 2.236 -0.667 270 H HIS 43 H HIS 43 0.596 3.626 -0.405 271 HA HIS 43 HA HIS 43 2.491 4.606 -2.341 272 HB2 HIS 43 1HB HIS 43 3.015 3.208 0.289 273 HB3 HIS 43 2HB HIS 43 4.172 4.147 -0.648 274 HD2 HIS 43 HD2 HIS 43 2.300 6.824 -1.107 275 HE1 HIS 43 HE1 HIS 43 2.165 6.896 3.133 276 HE2 HIS 43 HE2 HIS 43 1.734 8.190 1.016 277 H PHE 44 H PHE 44 4.260 3.372 -3.191 278 HA PHE 44 HA PHE 44 3.450 0.861 -4.242 279 HB2 PHE 44 1HB PHE 44 5.904 2.553 -4.418 280 HB3 PHE 44 2HB PHE 44 6.013 0.869 -4.917 281 HD1 PHE 44 HD2 PHE 44 3.501 3.600 -5.345 282 HD2 PHE 44 HD1 PHE 44 5.909 0.612 -7.186 283 HE1 PHE 44 HE2 PHE 44 2.557 4.195 -7.537 284 HE2 PHE 44 HE1 PHE 44 4.969 1.202 -9.382 285 HZ PHE 44 HZ PHE 44 3.290 2.995 -9.559 286 H SER 45 H SER 45 6.203 1.698 -2.130 287 HA SER 45 HA SER 45 7.083 -0.833 -1.534 288 HB2 SER 45 1HB SER 45 7.938 1.540 -0.777 289 HB3 SER 45 2HB SER 45 6.985 1.197 0.667 290 HG SER 45 HG SER 45 8.956 0.369 1.100 291 H CYS 46 H CYS 46 4.399 0.935 -0.086 292 HA CYS 46 HA CYS 46 3.863 -0.868 2.013 293 HB2 CYS 46 1HB CYS 46 2.370 1.317 0.647 294 HB3 CYS 46 2HB CYS 46 1.442 0.184 1.623 295 H VAL 47 H VAL 47 2.540 -0.610 -1.271 296 HA VAL 47 HA VAL 47 1.044 -3.087 -0.899 297 HB VAL 47 HB VAL 47 0.056 -2.644 -3.068 298 HG11 VAL 47 1HG1 VAL 47 0.159 -0.275 -1.214 299 HG12 VAL 47 2HG1 VAL 47 -0.951 -0.386 -2.582 300 HG13 VAL 47 3HG1 VAL 47 -1.047 -1.560 -1.269 301 HG21 VAL 47 1HG2 VAL 47 1.027 -0.043 -3.657 302 HG22 VAL 47 2HG2 VAL 47 2.416 -1.114 -3.471 303 HG23 VAL 47 3HG2 VAL 47 1.149 -1.508 -4.632 304 H SER 48 H SER 48 3.983 -3.075 -0.974 305 HA SER 48 HA SER 48 5.758 -4.058 -2.052 306 HB2 SER 48 1HB SER 48 4.355 -5.941 -1.083 307 HB3 SER 48 2HB SER 48 3.716 -6.186 -2.708 308 HG SER 48 HG SER 48 5.529 -7.530 -2.241 309 H LEU 49 H LEU 49 5.041 -2.170 -3.713 310 HA LEU 49 HA LEU 49 4.773 -3.445 -6.355 311 HB2 LEU 49 1HB LEU 49 3.700 -0.953 -5.205 312 HB3 LEU 49 2HB LEU 49 4.301 -0.833 -6.857 313 HG LEU 49 HG LEU 49 2.137 -2.697 -5.881 314 HD11 LEU 49 1HD1 LEU 49 1.676 -0.607 -7.928 315 HD12 LEU 49 2HD1 LEU 49 1.829 -0.083 -6.251 316 HD13 LEU 49 3HD1 LEU 49 0.589 -1.255 -6.699 317 HD21 LEU 49 1HD2 LEU 49 2.499 -3.898 -7.709 318 HD22 LEU 49 2HD2 LEU 49 3.837 -2.843 -8.165 319 HD23 LEU 49 3HD2 LEU 49 2.198 -2.468 -8.696 320 H THR 50 H THR 50 6.520 -3.438 -7.594 321 HA THR 50 HA THR 50 8.799 -1.782 -6.853 322 HB THR 50 HB THR 50 8.600 -3.936 -8.967 323 HG1 THR 50 HG1 THR 50 9.329 -5.303 -7.434 324 HG21 THR 50 1HG2 THR 50 10.404 -2.262 -9.324 325 HG22 THR 50 2HG2 THR 50 11.013 -3.886 -9.003 326 HG23 THR 50 3HG2 THR 50 11.044 -2.665 -7.731 327 H TYR 51 H TYR 51 6.369 -2.020 -9.319 328 HA TYR 51 HA TYR 51 7.075 0.540 -10.380 329 HB2 TYR 51 1HB TYR 51 7.320 -0.383 -12.759 330 HB3 TYR 51 2HB TYR 51 8.700 -0.561 -11.681 331 HD1 TYR 51 HD2 TYR 51 5.665 -2.434 -12.794 332 HD2 TYR 51 HD1 TYR 51 9.721 -2.630 -11.524 333 HE1 TYR 51 HE2 TYR 51 5.675 -4.857 -13.217 334 HE2 TYR 51 HE1 TYR 51 9.742 -5.053 -11.945 335 HH TYR 51 HH TYR 51 7.935 -6.922 -12.032 336 H LYS 52 H LYS 52 5.433 1.448 -11.611 337 HA LYS 52 HA LYS 52 2.857 0.982 -11.103 338 HB2 LYS 52 1HB LYS 52 4.199 2.020 -13.558 339 HB3 LYS 52 2HB LYS 52 2.464 1.741 -13.613 340 HG2 LYS 52 1HG LYS 52 3.732 3.379 -11.445 341 HG3 LYS 52 2HG LYS 52 3.264 4.076 -12.998 342 HD2 LYS 52 1HD LYS 52 1.276 2.444 -11.488 343 HD3 LYS 52 2HD LYS 52 1.610 4.093 -10.953 344 HE2 LYS 52 1HE LYS 52 -0.257 4.144 -12.455 345 HE3 LYS 52 2HE LYS 52 1.129 4.875 -13.263 346 HZ1 LYS 52 1HZ LYS 52 0.480 2.020 -13.641 347 HZ2 LYS 52 2HZ LYS 52 1.398 3.037 -14.633 348 HZ3 LYS 52 3HZ LYS 52 -0.283 3.215 -14.564 349 HA PRO 53 HA PRO 53 1.994 -3.093 -12.646 350 HB2 PRO 53 1HB PRO 53 -0.662 -3.071 -12.083 351 HB3 PRO 53 2HB PRO 53 0.581 -3.301 -10.847 352 HG2 PRO 53 1HG PRO 53 -0.928 -0.820 -11.578 353 HG3 PRO 53 2HG PRO 53 -0.526 -1.452 -9.971 354 HD2 PRO 53 1HD PRO 53 0.872 0.550 -11.140 355 HD3 PRO 53 2HD PRO 53 1.625 -0.628 -10.046 356 H LYS 54 H LYS 54 0.775 -4.079 -14.340 357 HA LYS 54 HA LYS 54 0.131 -2.219 -16.486 358 HB2 LYS 54 1HB LYS 54 0.190 -4.149 -17.946 359 HB3 LYS 54 2HB LYS 54 1.619 -4.151 -16.920 360 HG2 LYS 54 1HG LYS 54 1.027 -6.340 -16.765 361 HG3 LYS 54 2HG LYS 54 0.107 -5.690 -15.405 362 HD2 LYS 54 1HD LYS 54 -1.906 -5.675 -16.663 363 HD3 LYS 54 2HD LYS 54 -1.044 -5.980 -18.173 364 HE2 LYS 54 1HE LYS 54 -0.936 -7.934 -15.901 365 HE3 LYS 54 2HE LYS 54 -2.284 -7.935 -17.037 366 HZ1 LYS 54 1HZ LYS 54 0.054 -9.254 -17.377 367 HZ2 LYS 54 2HZ LYS 54 0.288 -7.868 -18.317 368 HZ3 LYS 54 3HZ LYS 54 -1.039 -8.875 -18.611 369 H GLY 55 H GLY 55 -1.808 -2.484 -17.780 370 HA2 GLY 55 1HA GLY 55 -4.079 -2.697 -18.049 371 HA3 GLY 55 2HA GLY 55 -3.989 -4.087 -16.977 372 H LYS 56 H LYS 56 -4.712 -3.911 -14.924 373 HA LYS 56 HA LYS 56 -5.423 -1.226 -13.952 374 HB2 LYS 56 1HB LYS 56 -7.128 -3.719 -13.852 375 HB3 LYS 56 2HB LYS 56 -7.481 -2.252 -12.949 376 HG2 LYS 56 1HG LYS 56 -7.790 -1.007 -14.975 377 HG3 LYS 56 2HG LYS 56 -7.256 -2.380 -15.948 378 HD2 LYS 56 1HD LYS 56 -9.184 -3.660 -15.303 379 HD3 LYS 56 2HD LYS 56 -9.675 -2.420 -14.146 380 HE2 LYS 56 1HE LYS 56 -10.224 -0.897 -15.868 381 HE3 LYS 56 2HE LYS 56 -9.404 -1.868 -17.090 382 HZ1 LYS 56 1HZ LYS 56 -12.084 -1.980 -16.312 383 HZ2 LYS 56 2HZ LYS 56 -11.369 -3.447 -15.866 384 HZ3 LYS 56 3HZ LYS 56 -11.294 -2.925 -17.473 385 H TRP 57 H TRP 57 -5.691 -1.099 -11.606 386 HA TRP 57 HA TRP 57 -4.383 -3.243 -10.101 387 HB2 TRP 57 1HB TRP 57 -2.607 -1.647 -10.672 388 HB3 TRP 57 2HB TRP 57 -3.551 -0.337 -9.970 389 HD1 TRP 57 HD1 TRP 57 -1.361 -3.304 -9.000 390 HE1 TRP 57 HE1 TRP 57 -0.787 -3.129 -6.497 391 HE3 TRP 57 HE3 TRP 57 -4.441 0.574 -7.730 392 HZ2 TRP 57 HZ2 TRP 57 -1.540 -1.555 -4.278 393 HZ3 TRP 57 HZ3 TRP 57 -4.455 1.354 -5.397 394 HH2 TRP 57 HH2 TRP 57 -3.034 0.310 -3.708 395 H TYR 58 H TYR 58 -5.332 -3.635 -8.195 396 HA TYR 58 HA TYR 58 -7.204 -1.613 -7.149 397 HB2 TYR 58 1HB TYR 58 -7.502 -4.602 -7.362 398 HB3 TYR 58 2HB TYR 58 -8.455 -3.661 -6.220 399 HD1 TYR 58 HD1 TYR 58 -7.571 -3.746 -9.848 400 HD2 TYR 58 HD2 TYR 58 -10.499 -2.817 -6.904 401 HE1 TYR 58 HE1 TYR 58 -9.192 -3.241 -11.628 402 HE2 TYR 58 HE2 TYR 58 -12.128 -2.311 -8.676 403 HH TYR 58 HH TYR 58 -12.522 -2.833 -11.019 404 H CYS 59 H CYS 59 -6.672 -0.873 -5.214 405 HA CYS 59 HA CYS 59 -4.504 -1.559 -3.711 406 HB2 CYS 59 1HB CYS 59 -5.304 -0.133 -2.096 407 HB3 CYS 59 2HB CYS 59 -6.318 0.351 -3.451 408 HA PRO 60 HA PRO 60 -5.232 -5.362 -1.650 409 HB2 PRO 60 1HB PRO 60 -4.057 -4.923 0.758 410 HB3 PRO 60 2HB PRO 60 -3.136 -5.143 -0.734 411 HG2 PRO 60 1HG PRO 60 -3.875 -2.610 0.679 412 HG3 PRO 60 2HG PRO 60 -2.331 -3.067 -0.064 413 HD2 PRO 60 1HD PRO 60 -4.111 -1.436 -1.289 414 HD3 PRO 60 2HD PRO 60 -3.055 -2.544 -2.188 415 H LYS 61 H LYS 61 -6.414 -2.417 -0.268 416 HA LYS 61 HA LYS 61 -7.851 -3.596 1.903 417 HB2 LYS 61 1HB LYS 61 -7.109 -1.073 1.361 418 HB3 LYS 61 2HB LYS 61 -8.761 -1.012 0.760 419 HG2 LYS 61 1HG LYS 61 -9.504 -1.892 2.985 420 HG3 LYS 61 2HG LYS 61 -7.846 -1.670 3.548 421 HD2 LYS 61 1HD LYS 61 -8.845 0.309 4.205 422 HD3 LYS 61 2HD LYS 61 -8.152 0.753 2.643 423 HE2 LYS 61 1HE LYS 61 -10.332 1.616 2.601 424 HE3 LYS 61 2HE LYS 61 -10.416 0.133 1.651 425 HZ1 LYS 61 1HZ LYS 61 -10.938 -0.401 4.385 426 HZ2 LYS 61 2HZ LYS 61 -11.917 -0.689 3.037 427 HZ3 LYS 61 3HZ LYS 61 -11.977 0.809 3.821 428 H CYS 62 H CYS 62 -8.478 -3.064 -1.464 429 HA CYS 62 HA CYS 62 -11.323 -3.657 -1.142 430 HB2 CYS 62 1HB CYS 62 -9.677 -2.786 -3.521 431 HB3 CYS 62 2HB CYS 62 -11.377 -3.232 -3.637 432 H ARG 63 H ARG 63 -8.510 -4.868 -2.958 433 HA ARG 63 HA ARG 63 -9.707 -7.097 -4.106 434 HB2 ARG 63 1HB ARG 63 -7.536 -7.893 -4.555 435 HB3 ARG 63 2HB ARG 63 -7.378 -6.142 -4.527 436 HG2 ARG 63 1HG ARG 63 -5.578 -6.680 -3.263 437 HG3 ARG 63 2HG ARG 63 -6.793 -6.612 -1.985 438 HD2 ARG 63 1HD ARG 63 -5.540 -8.613 -1.672 439 HD3 ARG 63 2HD ARG 63 -7.125 -9.074 -2.292 440 HE ARG 63 HE ARG 63 -5.086 -8.758 -4.310 441 HH11 ARG 63 1HH1 ARG 63 -6.656 -10.938 -2.096 442 HH12 ARG 63 2HH1 ARG 63 -6.214 -12.361 -2.978 443 HH21 ARG 63 1HH2 ARG 63 -4.497 -10.625 -5.481 444 HH22 ARG 63 2HH2 ARG 63 -4.985 -12.182 -4.904 445 H GLY 64 H GLY 64 -8.460 -6.615 -0.865 446 HA2 GLY 64 1HA GLY 64 -8.143 -9.145 0.105 447 HA3 GLY 64 2HA GLY 64 -8.840 -7.839 1.051 448 H ASP 65 H ASP 65 -11.248 -7.420 -0.124 449 HA ASP 65 HA ASP 65 -12.590 -10.039 0.004 450 HB2 ASP 65 1HB ASP 65 -13.748 -7.501 1.156 451 HB3 ASP 65 2HB ASP 65 -14.337 -9.148 1.361 452 H SER 66 H SER 66 -14.496 -10.259 -1.215 453 HA SER 66 HA SER 66 -15.259 -8.064 -2.976 454 HB2 SER 66 1HB SER 66 -13.459 -9.356 -4.152 455 HB3 SER 66 2HB SER 66 -14.506 -10.774 -4.093 456 HG SER 66 HG SER 66 -14.490 -8.904 -5.919 457 H GLY 67 H GLY 67 -17.374 -8.134 -3.633 458 HA2 GLY 67 1HA GLY 67 -19.128 -10.131 -3.981 459 HA3 GLY 67 2HA GLY 67 -19.061 -10.033 -2.228 460 HA PRO 68 HA PRO 68 -20.878 -5.825 -3.809 461 HB2 PRO 68 1HB PRO 68 -21.650 -5.769 -6.411 462 HB3 PRO 68 2HB PRO 68 -20.033 -5.292 -5.878 463 HG2 PRO 68 1HG PRO 68 -20.949 -7.884 -7.064 464 HG3 PRO 68 2HG PRO 68 -19.482 -6.951 -7.411 465 HD2 PRO 68 1HD PRO 68 -19.478 -9.124 -5.796 466 HD3 PRO 68 2HD PRO 68 -18.382 -7.750 -5.550 467 H SER 69 H SER 69 -23.130 -5.161 -4.485 468 HA SER 69 HA SER 69 -24.956 -7.433 -4.088 469 HB2 SER 69 1HB SER 69 -26.573 -5.668 -3.291 470 HB3 SER 69 2HB SER 69 -25.136 -5.857 -2.286 471 HG SER 69 HG SER 69 -24.847 -3.809 -2.608 472 H SER 70 H SER 70 -23.999 -6.955 -6.660 473 HA SER 70 HA SER 70 -25.245 -5.320 -8.394 474 HB2 SER 70 1HB SER 70 -23.659 -7.090 -9.068 475 HB3 SER 70 2HB SER 70 -24.919 -8.300 -8.825 476 HG SER 70 HG SER 70 -25.891 -6.399 -10.404 477 H GLY 71 H GLY 71 -26.654 -8.397 -7.267 478 HA2 GLY 71 1HA GLY 71 -28.831 -9.117 -7.171 479 HA3 GLY 71 2HA GLY 71 -29.248 -7.425 -6.940 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 22.583 23.753 11.734 2 HA2 GLY 1 1HA GLY 1 24.314 21.813 10.425 3 HA3 GLY 1 2HA GLY 1 25.000 22.634 11.819 4 H SER 2 H SER 2 23.753 19.822 10.995 5 HA SER 2 HA SER 2 22.905 19.222 13.695 6 HB2 SER 2 1HB SER 2 20.748 18.262 13.053 7 HB3 SER 2 2HB SER 2 20.805 19.972 12.626 8 HG SER 2 HG SER 2 21.509 17.978 10.761 9 H SER 3 H SER 3 23.849 17.377 14.228 10 HA SER 3 HA SER 3 25.104 15.709 12.289 11 HB2 SER 3 1HB SER 3 25.638 14.263 14.271 12 HB3 SER 3 2HB SER 3 26.130 15.946 14.459 13 HG SER 3 HG SER 3 24.916 14.832 16.249 14 H GLY 4 H GLY 4 23.538 14.871 10.921 15 HA2 GLY 4 1HA GLY 4 22.227 13.079 10.248 16 HA3 GLY 4 2HA GLY 4 22.189 12.522 11.914 17 H SER 5 H SER 5 20.235 13.408 9.534 18 HA SER 5 HA SER 5 18.495 15.269 10.831 19 HB2 SER 5 1HB SER 5 17.027 14.948 8.950 20 HB3 SER 5 2HB SER 5 18.681 14.976 8.338 21 HG SER 5 HG SER 5 17.997 12.465 8.984 22 H SER 6 H SER 6 16.748 14.916 12.081 23 HA SER 6 HA SER 6 16.298 12.184 12.999 24 HB2 SER 6 1HB SER 6 14.939 13.276 14.783 25 HB3 SER 6 2HB SER 6 16.603 13.859 14.728 26 HG SER 6 HG SER 6 14.704 15.235 13.222 27 H GLY 7 H GLY 7 15.407 12.678 10.395 28 HA2 GLY 7 1HA GLY 7 13.538 12.631 9.042 29 HA3 GLY 7 2HA GLY 7 12.932 11.554 10.293 30 H GLU 8 H GLU 8 10.885 12.114 10.657 31 HA GLU 8 HA GLU 8 10.176 14.955 10.741 32 HB2 GLU 8 1HB GLU 8 8.369 12.532 10.735 33 HB3 GLU 8 2HB GLU 8 7.858 14.209 10.595 34 HG2 GLU 8 1HG GLU 8 8.685 14.416 8.439 35 HG3 GLU 8 2HG GLU 8 9.757 13.027 8.611 36 H PHE 9 H PHE 9 8.851 15.775 12.463 37 HA PHE 9 HA PHE 9 8.668 14.212 14.901 38 HB2 PHE 9 1HB PHE 9 10.921 15.156 15.058 39 HB3 PHE 9 2HB PHE 9 10.277 16.772 14.782 40 HD1 PHE 9 HD2 PHE 9 9.440 13.916 17.041 41 HD2 PHE 9 HD1 PHE 9 10.268 18.074 16.659 42 HE1 PHE 9 HE2 PHE 9 9.124 14.199 19.465 43 HE2 PHE 9 HE1 PHE 9 9.954 18.363 19.082 44 HZ PHE 9 HZ PHE 9 9.379 16.425 20.488 45 H ALA 10 H ALA 10 6.812 14.651 15.895 46 HA ALA 10 HA ALA 10 4.871 15.669 16.506 47 HB1 ALA 10 1HB ALA 10 6.045 18.332 15.801 48 HB2 ALA 10 2HB ALA 10 4.930 17.913 17.102 49 HB3 ALA 10 3HB ALA 10 6.623 17.431 17.203 50 H ILE 11 H ILE 11 4.918 14.661 13.955 51 HA ILE 11 HA ILE 11 4.278 16.330 11.848 52 HB ILE 11 HB ILE 11 3.273 13.559 12.480 53 HG12 ILE 11 1HG1 ILE 11 4.841 13.228 10.363 54 HG13 ILE 11 2HG1 ILE 11 5.554 14.728 10.947 55 HG21 ILE 11 1HG2 ILE 11 1.699 13.881 10.935 56 HG22 ILE 11 2HG2 ILE 11 2.393 15.422 10.436 57 HG23 ILE 11 3HG2 ILE 11 3.009 13.917 9.755 58 HD11 ILE 11 1HD1 ILE 11 5.161 12.669 12.995 59 HD12 ILE 11 2HD1 ILE 11 6.317 12.262 11.727 60 HD13 ILE 11 3HD1 ILE 11 6.539 13.724 12.687 61 H ASP 12 H ASP 12 2.683 17.715 11.497 62 HA ASP 12 HA ASP 12 0.572 18.131 13.312 63 HB2 ASP 12 1HB ASP 12 0.639 19.057 10.437 64 HB3 ASP 12 2HB ASP 12 -0.220 19.800 11.783 65 HA PRO 13 HA PRO 13 -2.225 14.959 11.990 66 HB2 PRO 13 1HB PRO 13 -4.364 15.793 13.440 67 HB3 PRO 13 2HB PRO 13 -2.985 14.953 14.159 68 HG2 PRO 13 1HG PRO 13 -3.593 17.884 14.092 69 HG3 PRO 13 2HG PRO 13 -2.985 16.897 15.435 70 HD2 PRO 13 1HD PRO 13 -1.369 18.466 13.931 71 HD3 PRO 13 2HD PRO 13 -0.819 16.939 14.650 72 H ASN 14 H ASN 14 -2.514 18.308 11.395 73 HA ASN 14 HA ASN 14 -5.041 18.517 10.239 74 HB2 ASN 14 1HB ASN 14 -4.313 20.547 9.301 75 HB3 ASN 14 2HB ASN 14 -3.324 20.366 10.748 76 HD21 ASN 14 1HD2 ASN 14 -3.373 20.455 7.307 77 HD22 ASN 14 2HD2 ASN 14 -1.663 20.423 7.066 78 H GLU 15 H GLU 15 -1.947 17.569 8.790 79 HA GLU 15 HA GLU 15 -2.838 17.342 6.141 80 HB2 GLU 15 1HB GLU 15 -0.593 16.010 7.645 81 HB3 GLU 15 2HB GLU 15 -0.881 15.707 5.938 82 HG2 GLU 15 1HG GLU 15 -0.295 17.854 5.321 83 HG3 GLU 15 2HG GLU 15 -0.585 18.506 6.933 84 HA PRO 16 HA PRO 16 -5.483 13.803 6.442 85 HB2 PRO 16 1HB PRO 16 -5.789 13.393 3.776 86 HB3 PRO 16 2HB PRO 16 -6.607 14.695 4.648 87 HG2 PRO 16 1HG PRO 16 -4.124 14.802 2.979 88 HG3 PRO 16 2HG PRO 16 -5.489 15.933 3.027 89 HD2 PRO 16 1HD PRO 16 -3.152 16.413 4.308 90 HD3 PRO 16 2HD PRO 16 -4.716 16.980 4.930 91 H THR 17 H THR 17 -5.592 11.578 5.335 92 HA THR 17 HA THR 17 -2.920 10.558 4.679 93 HB THR 17 HB THR 17 -3.203 8.626 6.144 94 HG1 THR 17 HG1 THR 17 -5.000 8.330 7.327 95 HG21 THR 17 1HG2 THR 17 -3.514 11.293 7.523 96 HG22 THR 17 2HG2 THR 17 -2.009 10.476 7.099 97 HG23 THR 17 3HG2 THR 17 -3.058 9.802 8.346 98 H TYR 18 H TYR 18 -2.881 8.839 3.270 99 HA TYR 18 HA TYR 18 -5.486 7.862 2.304 100 HB2 TYR 18 1HB TYR 18 -3.088 8.542 0.589 101 HB3 TYR 18 2HB TYR 18 -4.616 7.886 0.013 102 HD1 TYR 18 HD2 TYR 18 -2.924 10.866 1.322 103 HD2 TYR 18 HD1 TYR 18 -6.579 9.286 -0.178 104 HE1 TYR 18 HE2 TYR 18 -3.793 13.151 1.050 105 HE2 TYR 18 HE1 TYR 18 -7.457 11.566 -0.455 106 HH TYR 18 HH TYR 18 -5.700 14.368 0.719 107 H CYS 19 H CYS 19 -2.019 7.205 1.764 108 HA CYS 19 HA CYS 19 -2.066 4.590 1.104 109 HB2 CYS 19 1HB CYS 19 -0.017 6.003 1.379 110 HB3 CYS 19 2HB CYS 19 -0.117 5.730 3.116 111 H LEU 20 H LEU 20 -1.634 2.608 2.349 112 HA LEU 20 HA LEU 20 -3.614 2.144 4.281 113 HB2 LEU 20 1HB LEU 20 -1.134 0.493 3.847 114 HB3 LEU 20 2HB LEU 20 -2.672 -0.045 4.518 115 HG LEU 20 HG LEU 20 -2.460 0.954 1.694 116 HD11 LEU 20 1HD1 LEU 20 -2.423 -1.958 2.214 117 HD12 LEU 20 2HD1 LEU 20 -0.913 -1.080 2.452 118 HD13 LEU 20 3HD1 LEU 20 -1.724 -1.030 0.887 119 HD21 LEU 20 1HD2 LEU 20 -4.630 0.501 1.654 120 HD22 LEU 20 2HD2 LEU 20 -4.564 0.082 3.366 121 HD23 LEU 20 3HD2 LEU 20 -4.315 -1.165 2.143 122 H CYS 21 H CYS 21 -0.176 2.856 4.574 123 HA CYS 21 HA CYS 21 0.008 2.375 7.365 124 HB2 CYS 21 1HB CYS 21 2.157 3.480 7.239 125 HB3 CYS 21 2HB CYS 21 1.963 2.446 5.827 126 H ASN 22 H ASN 22 -1.742 4.639 5.757 127 HA ASN 22 HA ASN 22 -2.826 6.539 6.378 128 HB2 ASN 22 1HB ASN 22 -1.969 5.417 9.015 129 HB3 ASN 22 2HB ASN 22 -2.644 7.043 8.963 130 HD21 ASN 22 1HD2 ASN 22 -4.310 6.076 10.309 131 HD22 ASN 22 2HD2 ASN 22 -5.628 5.257 9.550 132 H GLN 23 H GLN 23 -0.589 7.108 5.140 133 HA GLN 23 HA GLN 23 0.591 9.300 6.712 134 HB2 GLN 23 1HB GLN 23 1.962 7.326 4.899 135 HB3 GLN 23 2HB GLN 23 2.678 8.889 5.270 136 HG2 GLN 23 1HG GLN 23 1.828 6.970 7.413 137 HG3 GLN 23 2HG GLN 23 3.423 6.908 6.665 138 HE21 GLN 23 1HE2 GLN 23 1.393 8.496 8.913 139 HE22 GLN 23 2HE2 GLN 23 2.543 9.653 9.481 140 H VAL 24 H VAL 24 1.649 10.965 5.253 141 HA VAL 24 HA VAL 24 -0.277 11.713 3.221 142 HB VAL 24 HB VAL 24 0.946 13.834 3.108 143 HG11 VAL 24 1HG1 VAL 24 0.225 12.807 5.841 144 HG12 VAL 24 2HG1 VAL 24 0.652 14.493 5.541 145 HG13 VAL 24 3HG1 VAL 24 -0.752 13.782 4.744 146 HG21 VAL 24 1HG2 VAL 24 2.930 14.277 4.229 147 HG22 VAL 24 2HG2 VAL 24 2.739 12.904 5.319 148 HG23 VAL 24 3HG2 VAL 24 3.180 12.636 3.633 149 H SER 25 H SER 25 0.160 12.064 1.052 150 HA SER 25 HA SER 25 1.829 10.284 -0.254 151 HB2 SER 25 1HB SER 25 0.037 11.275 -1.478 152 HB3 SER 25 2HB SER 25 0.641 12.904 -1.175 153 HG SER 25 HG SER 25 1.094 11.641 -3.297 154 H TYR 26 H TYR 26 3.928 10.230 -0.751 155 HA TYR 26 HA TYR 26 5.497 12.707 -0.538 156 HB2 TYR 26 1HB TYR 26 7.305 11.460 0.575 157 HB3 TYR 26 2HB TYR 26 5.828 11.453 1.533 158 HD1 TYR 26 HD1 TYR 26 7.746 9.388 -0.903 159 HD2 TYR 26 HD2 TYR 26 4.949 9.437 2.303 160 HE1 TYR 26 HE1 TYR 26 7.834 6.932 -0.796 161 HE2 TYR 26 HE2 TYR 26 5.031 6.981 2.419 162 HH TYR 26 HH TYR 26 6.479 5.074 -0.009 163 H GLY 27 H GLY 27 5.104 9.504 -1.902 164 HA2 GLY 27 1HA GLY 27 6.965 10.283 -4.057 165 HA3 GLY 27 2HA GLY 27 7.005 8.669 -3.363 166 H GLU 28 H GLU 28 6.643 7.895 -5.533 167 HA GLU 28 HA GLU 28 4.352 8.535 -7.041 168 HB2 GLU 28 1HB GLU 28 4.837 6.464 -8.289 169 HB3 GLU 28 2HB GLU 28 6.273 7.451 -8.057 170 HG2 GLU 28 1HG GLU 28 5.654 5.244 -6.146 171 HG3 GLU 28 2HG GLU 28 6.394 4.889 -7.706 172 H MET 29 H MET 29 2.298 7.845 -6.968 173 HA MET 29 HA MET 29 1.641 5.539 -5.274 174 HB2 MET 29 1HB MET 29 0.212 8.203 -5.215 175 HB3 MET 29 2HB MET 29 -0.299 6.756 -4.357 176 HG2 MET 29 1HG MET 29 1.591 6.824 -2.933 177 HG3 MET 29 2HG MET 29 2.369 8.061 -3.918 178 HE1 MET 29 1HE MET 29 -0.188 6.943 -1.645 179 HE2 MET 29 2HE MET 29 0.072 8.146 -0.382 180 HE3 MET 29 3HE MET 29 -1.330 8.272 -1.446 181 H ILE 30 H ILE 30 -0.268 4.433 -5.842 182 HA ILE 30 HA ILE 30 -1.150 4.968 -8.595 183 HB ILE 30 HB ILE 30 -1.645 2.694 -8.855 184 HG12 ILE 30 1HG1 ILE 30 -2.814 2.550 -6.598 185 HG13 ILE 30 2HG1 ILE 30 -1.948 1.108 -7.116 186 HG21 ILE 30 1HG2 ILE 30 0.422 1.509 -7.936 187 HG22 ILE 30 2HG2 ILE 30 0.683 2.904 -8.981 188 HG23 ILE 30 3HG2 ILE 30 0.852 3.068 -7.234 189 HD11 ILE 30 1HD1 ILE 30 -1.226 3.074 -4.984 190 HD12 ILE 30 2HD1 ILE 30 -1.385 1.321 -4.880 191 HD13 ILE 30 3HD1 ILE 30 -0.005 2.033 -5.716 192 H GLY 31 H GLY 31 -3.370 4.821 -9.140 193 HA2 GLY 31 1HA GLY 31 -5.125 5.572 -6.913 194 HA3 GLY 31 2HA GLY 31 -5.441 5.861 -8.618 195 H CYS 32 H CYS 32 -5.753 3.656 -5.980 196 HA CYS 32 HA CYS 32 -6.292 1.228 -6.923 197 HB2 CYS 32 1HB CYS 32 -6.744 1.671 -4.628 198 HB3 CYS 32 2HB CYS 32 -7.988 2.851 -5.028 199 H ASP 33 H ASP 33 -7.371 0.390 -8.569 200 HA ASP 33 HA ASP 33 -8.862 1.728 -10.421 201 HB2 ASP 33 1HB ASP 33 -8.001 -0.668 -10.520 202 HB3 ASP 33 2HB ASP 33 -9.466 -1.127 -9.656 203 H ASN 34 H ASN 34 -10.031 0.182 -7.467 204 HA ASN 34 HA ASN 34 -12.779 0.489 -7.927 205 HB2 ASN 34 1HB ASN 34 -11.703 -0.906 -6.122 206 HB3 ASN 34 2HB ASN 34 -11.418 0.586 -5.230 207 HD21 ASN 34 1HD2 ASN 34 -12.758 0.459 -3.559 208 HD22 ASN 34 2HD2 ASN 34 -14.464 0.203 -3.663 209 H GLU 35 H GLU 35 -13.472 2.447 -8.625 210 HA GLU 35 HA GLU 35 -12.544 4.943 -7.779 211 HB2 GLU 35 1HB GLU 35 -14.675 5.827 -8.718 212 HB3 GLU 35 2HB GLU 35 -13.818 4.748 -9.810 213 HG2 GLU 35 1HG GLU 35 -15.922 3.613 -8.043 214 HG3 GLU 35 2HG GLU 35 -16.408 4.555 -9.451 215 H GLN 36 H GLN 36 -14.895 2.780 -6.386 216 HA GLN 36 HA GLN 36 -16.145 4.647 -4.658 217 HB2 GLN 36 1HB GLN 36 -16.034 1.681 -4.880 218 HB3 GLN 36 2HB GLN 36 -16.562 2.362 -3.347 219 HG2 GLN 36 1HG GLN 36 -17.784 3.022 -6.015 220 HG3 GLN 36 2HG GLN 36 -18.410 1.814 -4.895 221 HE21 GLN 36 1HE2 GLN 36 -19.166 2.528 -2.831 222 HE22 GLN 36 2HE2 GLN 36 -19.764 4.137 -2.634 223 H CYS 37 H CYS 37 -13.028 3.515 -4.697 224 HA CYS 37 HA CYS 37 -12.562 3.205 -1.895 225 HB2 CYS 37 1HB CYS 37 -11.164 2.407 -4.000 226 HB3 CYS 37 2HB CYS 37 -10.362 3.958 -3.770 227 HA PRO 38 HA PRO 38 -12.630 7.584 -1.028 228 HB2 PRO 38 1HB PRO 38 -12.137 7.330 1.630 229 HB3 PRO 38 2HB PRO 38 -13.725 7.029 0.914 230 HG2 PRO 38 1HG PRO 38 -11.604 5.071 1.707 231 HG3 PRO 38 2HG PRO 38 -13.357 4.984 1.957 232 HD2 PRO 38 1HD PRO 38 -12.101 3.643 -0.032 233 HD3 PRO 38 2HD PRO 38 -13.755 4.265 -0.196 234 H ILE 39 H ILE 39 -10.048 5.476 -1.097 235 HA ILE 39 HA ILE 39 -8.145 7.526 -0.181 236 HB ILE 39 HB ILE 39 -7.633 4.581 -0.617 237 HG12 ILE 39 1HG1 ILE 39 -7.880 6.065 2.004 238 HG13 ILE 39 2HG1 ILE 39 -9.193 5.140 1.284 239 HG21 ILE 39 1HG2 ILE 39 -5.890 6.481 0.909 240 HG22 ILE 39 2HG2 ILE 39 -5.484 4.914 0.210 241 HG23 ILE 39 3HG2 ILE 39 -5.736 6.308 -0.839 242 HD11 ILE 39 1HD1 ILE 39 -7.170 3.323 1.276 243 HD12 ILE 39 2HD1 ILE 39 -6.837 4.237 2.748 244 HD13 ILE 39 3HD1 ILE 39 -8.407 3.465 2.526 245 H GLU 40 H GLU 40 -8.193 4.892 -2.592 246 HA GLU 40 HA GLU 40 -7.222 4.741 -4.657 247 HB2 GLU 40 1HB GLU 40 -8.630 7.391 -4.671 248 HB3 GLU 40 2HB GLU 40 -7.738 6.853 -6.088 249 HG2 GLU 40 1HG GLU 40 -9.134 4.703 -5.885 250 HG3 GLU 40 2HG GLU 40 -10.179 5.661 -4.837 251 H TRP 41 H TRP 41 -5.442 5.606 -2.590 252 HA TRP 41 HA TRP 41 -3.314 6.605 -4.225 253 HB2 TRP 41 1HB TRP 41 -4.405 8.355 -2.013 254 HB3 TRP 41 2HB TRP 41 -2.832 8.589 -2.769 255 HD1 TRP 41 HD1 TRP 41 -6.231 9.833 -3.002 256 HE1 TRP 41 HE1 TRP 41 -6.670 10.968 -5.270 257 HE3 TRP 41 HE3 TRP 41 -2.166 8.104 -5.575 258 HZ2 TRP 41 HZ2 TRP 41 -5.454 11.111 -7.814 259 HZ3 TRP 41 HZ3 TRP 41 -1.877 8.787 -7.922 260 HH2 TRP 41 HH2 TRP 41 -3.489 10.259 -9.016 261 H PHE 42 H PHE 42 -1.737 5.274 -3.646 262 HA PHE 42 HA PHE 42 -1.057 5.018 -0.821 263 HB2 PHE 42 1HB PHE 42 -1.319 2.576 -2.579 264 HB3 PHE 42 2HB PHE 42 -0.965 2.619 -0.855 265 HD1 PHE 42 HD1 PHE 42 -3.583 3.227 -3.384 266 HD2 PHE 42 HD2 PHE 42 -2.692 2.716 0.747 267 HE1 PHE 42 HE1 PHE 42 -5.986 3.038 -2.892 268 HE2 PHE 42 HE2 PHE 42 -5.094 2.525 1.245 269 HZ PHE 42 HZ PHE 42 -6.744 2.686 -0.575 270 H HIS 43 H HIS 43 1.107 4.274 -0.451 271 HA HIS 43 HA HIS 43 2.938 5.199 -2.455 272 HB2 HIS 43 1HB HIS 43 3.518 3.826 0.178 273 HB3 HIS 43 2HB HIS 43 4.674 4.718 -0.806 274 HD2 HIS 43 HD2 HIS 43 3.299 7.528 -1.235 275 HE1 HIS 43 HE1 HIS 43 2.492 7.518 2.930 276 HE2 HIS 43 HE2 HIS 43 2.579 8.907 0.831 277 H PHE 44 H PHE 44 4.419 4.028 -3.638 278 HA PHE 44 HA PHE 44 3.660 1.472 -4.507 279 HB2 PHE 44 1HB PHE 44 6.034 3.228 -4.922 280 HB3 PHE 44 2HB PHE 44 6.167 1.536 -5.390 281 HD1 PHE 44 HD2 PHE 44 3.342 3.955 -5.622 282 HD2 PHE 44 HD1 PHE 44 6.070 1.422 -7.685 283 HE1 PHE 44 HE2 PHE 44 2.199 4.457 -7.742 284 HE2 PHE 44 HE1 PHE 44 4.932 1.920 -9.809 285 HZ PHE 44 HZ PHE 44 2.993 3.438 -9.839 286 H SER 45 H SER 45 6.540 2.406 -2.619 287 HA SER 45 HA SER 45 7.568 -0.078 -2.093 288 HB2 SER 45 1HB SER 45 7.481 2.358 -0.304 289 HB3 SER 45 2HB SER 45 8.454 0.929 0.045 290 HG SER 45 HG SER 45 9.087 2.970 -1.494 291 H CYS 46 H CYS 46 5.054 1.624 -0.252 292 HA CYS 46 HA CYS 46 4.702 -0.268 1.769 293 HB2 CYS 46 1HB CYS 46 2.948 1.839 0.561 294 HB3 CYS 46 2HB CYS 46 2.265 0.708 1.725 295 H VAL 47 H VAL 47 3.061 0.041 -1.366 296 HA VAL 47 HA VAL 47 1.608 -2.433 -0.941 297 HB VAL 47 HB VAL 47 0.599 -2.017 -3.120 298 HG11 VAL 47 1HG1 VAL 47 -0.294 0.351 -2.603 299 HG12 VAL 47 2HG1 VAL 47 -0.588 -0.940 -1.437 300 HG13 VAL 47 3HG1 VAL 47 0.695 0.235 -1.148 301 HG21 VAL 47 1HG2 VAL 47 2.656 0.166 -3.274 302 HG22 VAL 47 2HG2 VAL 47 2.335 -1.127 -4.428 303 HG23 VAL 47 3HG2 VAL 47 1.186 0.198 -4.247 304 H SER 48 H SER 48 4.637 -2.216 -1.290 305 HA SER 48 HA SER 48 6.336 -3.312 -2.351 306 HB2 SER 48 1HB SER 48 4.114 -5.356 -2.468 307 HB3 SER 48 2HB SER 48 5.772 -5.716 -2.946 308 HG SER 48 HG SER 48 5.812 -6.226 -0.864 309 H LEU 49 H LEU 49 5.492 -1.481 -4.033 310 HA LEU 49 HA LEU 49 5.216 -2.860 -6.623 311 HB2 LEU 49 1HB LEU 49 3.987 -0.382 -5.551 312 HB3 LEU 49 2HB LEU 49 4.426 -0.398 -7.257 313 HG LEU 49 HG LEU 49 2.624 -2.446 -5.975 314 HD11 LEU 49 1HD1 LEU 49 2.068 0.270 -6.536 315 HD12 LEU 49 2HD1 LEU 49 0.951 -0.998 -6.034 316 HD13 LEU 49 3HD1 LEU 49 1.242 -0.708 -7.749 317 HD21 LEU 49 1HD2 LEU 49 2.076 -3.075 -8.206 318 HD22 LEU 49 2HD2 LEU 49 3.835 -3.050 -8.083 319 HD23 LEU 49 3HD2 LEU 49 2.987 -1.721 -8.876 320 H THR 50 H THR 50 6.494 -2.175 -8.338 321 HA THR 50 HA THR 50 8.807 -0.530 -7.560 322 HB THR 50 HB THR 50 8.663 -2.481 -9.862 323 HG1 THR 50 HG1 THR 50 9.939 -3.813 -8.396 324 HG21 THR 50 1HG2 THR 50 10.816 -1.968 -10.305 325 HG22 THR 50 2HG2 THR 50 11.230 -1.789 -8.600 326 HG23 THR 50 3HG2 THR 50 10.438 -0.468 -9.459 327 H TYR 51 H TYR 51 6.440 -1.088 -10.122 328 HA TYR 51 HA TYR 51 6.651 1.675 -10.943 329 HB2 TYR 51 1HB TYR 51 7.067 1.112 -13.329 330 HB3 TYR 51 2HB TYR 51 8.431 0.730 -12.284 331 HD1 TYR 51 HD1 TYR 51 9.060 -1.579 -11.850 332 HD2 TYR 51 HD2 TYR 51 5.776 -0.649 -14.389 333 HE1 TYR 51 HE1 TYR 51 9.069 -3.888 -12.697 334 HE2 TYR 51 HE2 TYR 51 5.775 -2.956 -15.243 335 HH TYR 51 HH TYR 51 8.068 -4.930 -15.207 336 H LYS 52 H LYS 52 4.884 2.381 -12.176 337 HA LYS 52 HA LYS 52 2.408 1.563 -11.618 338 HB2 LYS 52 1HB LYS 52 3.159 3.501 -13.127 339 HB3 LYS 52 2HB LYS 52 3.051 2.351 -14.453 340 HG2 LYS 52 1HG LYS 52 1.011 3.502 -14.456 341 HG3 LYS 52 2HG LYS 52 0.661 1.941 -13.711 342 HD2 LYS 52 1HD LYS 52 1.206 3.259 -11.494 343 HD3 LYS 52 2HD LYS 52 0.774 4.654 -12.485 344 HE2 LYS 52 1HE LYS 52 -1.310 3.201 -13.098 345 HE3 LYS 52 2HE LYS 52 -0.911 2.348 -11.608 346 HZ1 LYS 52 1HZ LYS 52 -0.987 4.513 -10.455 347 HZ2 LYS 52 2HZ LYS 52 -2.475 4.073 -11.127 348 HZ3 LYS 52 3HZ LYS 52 -1.516 5.241 -11.888 349 HA PRO 53 HA PRO 53 2.450 -2.631 -13.271 350 HB2 PRO 53 1HB PRO 53 0.207 -3.407 -11.952 351 HB3 PRO 53 2HB PRO 53 1.798 -3.339 -11.185 352 HG2 PRO 53 1HG PRO 53 -0.447 -1.361 -11.071 353 HG3 PRO 53 2HG PRO 53 0.601 -1.941 -9.763 354 HD2 PRO 53 1HD PRO 53 0.985 0.443 -10.990 355 HD3 PRO 53 2HD PRO 53 2.326 -0.528 -10.349 356 H LYS 54 H LYS 54 1.908 -2.461 -15.396 357 HA LYS 54 HA LYS 54 -0.177 -1.181 -16.596 358 HB2 LYS 54 1HB LYS 54 0.178 -2.531 -18.499 359 HB3 LYS 54 2HB LYS 54 1.736 -2.466 -17.685 360 HG2 LYS 54 1HG LYS 54 -0.128 -4.721 -17.109 361 HG3 LYS 54 2HG LYS 54 0.820 -4.724 -18.597 362 HD2 LYS 54 1HD LYS 54 2.084 -4.274 -15.908 363 HD3 LYS 54 2HD LYS 54 1.820 -5.895 -16.554 364 HE2 LYS 54 1HE LYS 54 3.103 -5.226 -18.579 365 HE3 LYS 54 2HE LYS 54 3.461 -3.689 -17.794 366 HZ1 LYS 54 1HZ LYS 54 4.221 -5.447 -15.922 367 HZ2 LYS 54 2HZ LYS 54 5.264 -4.774 -17.070 368 HZ3 LYS 54 3HZ LYS 54 4.596 -6.307 -17.330 369 H GLY 55 H GLY 55 -2.174 -2.034 -17.587 370 HA2 GLY 55 1HA GLY 55 -4.116 -3.316 -17.574 371 HA3 GLY 55 2HA GLY 55 -3.388 -4.358 -16.361 372 H LYS 56 H LYS 56 -4.568 -4.379 -14.578 373 HA LYS 56 HA LYS 56 -5.660 -1.825 -13.597 374 HB2 LYS 56 1HB LYS 56 -7.535 -3.207 -12.614 375 HB3 LYS 56 2HB LYS 56 -7.543 -3.051 -14.366 376 HG2 LYS 56 1HG LYS 56 -6.871 -5.255 -14.690 377 HG3 LYS 56 2HG LYS 56 -6.275 -5.414 -13.036 378 HD2 LYS 56 1HD LYS 56 -8.251 -6.577 -12.894 379 HD3 LYS 56 2HD LYS 56 -8.786 -4.962 -12.421 380 HE2 LYS 56 1HE LYS 56 -10.389 -5.571 -13.970 381 HE3 LYS 56 2HE LYS 56 -9.250 -4.656 -14.957 382 HZ1 LYS 56 1HZ LYS 56 -8.401 -7.304 -14.955 383 HZ2 LYS 56 2HZ LYS 56 -9.047 -6.425 -16.247 384 HZ3 LYS 56 3HZ LYS 56 -10.067 -7.332 -15.248 385 H TRP 57 H TRP 57 -5.574 -1.455 -11.395 386 HA TRP 57 HA TRP 57 -4.223 -3.493 -9.761 387 HB2 TRP 57 1HB TRP 57 -2.601 -1.751 -10.520 388 HB3 TRP 57 2HB TRP 57 -3.577 -0.539 -9.693 389 HD1 TRP 57 HD1 TRP 57 -1.013 -3.258 -9.054 390 HE1 TRP 57 HE1 TRP 57 -0.288 -3.171 -6.586 391 HE3 TRP 57 HE3 TRP 57 -4.478 0.071 -7.308 392 HZ2 TRP 57 HZ2 TRP 57 -1.081 -1.864 -4.213 393 HZ3 TRP 57 HZ3 TRP 57 -4.426 0.686 -4.926 394 HH2 TRP 57 HH2 TRP 57 -2.763 -0.263 -3.412 395 H TYR 58 H TYR 58 -5.358 -3.962 -8.006 396 HA TYR 58 HA TYR 58 -7.217 -1.931 -6.954 397 HB2 TYR 58 1HB TYR 58 -7.455 -4.890 -7.283 398 HB3 TYR 58 2HB TYR 58 -8.288 -4.126 -5.933 399 HD1 TYR 58 HD1 TYR 58 -8.000 -4.171 -9.624 400 HD2 TYR 58 HD2 TYR 58 -10.289 -2.905 -6.268 401 HE1 TYR 58 HE1 TYR 58 -9.847 -3.549 -11.125 402 HE2 TYR 58 HE2 TYR 58 -12.142 -2.281 -7.760 403 HH TYR 58 HH TYR 58 -12.204 -1.572 -10.419 404 H CYS 59 H CYS 59 -6.756 -1.153 -5.014 405 HA CYS 59 HA CYS 59 -4.563 -1.717 -3.494 406 HB2 CYS 59 1HB CYS 59 -5.517 -0.432 -1.771 407 HB3 CYS 59 2HB CYS 59 -6.277 0.180 -3.237 408 HA PRO 60 HA PRO 60 -5.144 -5.556 -1.446 409 HB2 PRO 60 1HB PRO 60 -3.856 -5.095 0.899 410 HB3 PRO 60 2HB PRO 60 -3.007 -5.308 -0.637 411 HG2 PRO 60 1HG PRO 60 -3.707 -2.780 0.806 412 HG3 PRO 60 2HG PRO 60 -2.196 -3.220 -0.012 413 HD2 PRO 60 1HD PRO 60 -4.056 -1.615 -1.152 414 HD3 PRO 60 2HD PRO 60 -3.032 -2.713 -2.100 415 H LYS 61 H LYS 61 -6.704 -2.783 -0.485 416 HA LYS 61 HA LYS 61 -7.935 -3.977 1.885 417 HB2 LYS 61 1HB LYS 61 -7.715 -1.227 0.778 418 HB3 LYS 61 2HB LYS 61 -9.162 -1.604 1.703 419 HG2 LYS 61 1HG LYS 61 -7.445 -2.526 3.447 420 HG3 LYS 61 2HG LYS 61 -6.325 -1.462 2.594 421 HD2 LYS 61 1HD LYS 61 -7.824 0.432 2.984 422 HD3 LYS 61 2HD LYS 61 -8.952 -0.632 3.829 423 HE2 LYS 61 1HE LYS 61 -6.781 -1.178 5.250 424 HE3 LYS 61 2HE LYS 61 -6.314 0.429 4.696 425 HZ1 LYS 61 1HZ LYS 61 -7.599 1.288 6.258 426 HZ2 LYS 61 2HZ LYS 61 -8.081 -0.252 6.763 427 HZ3 LYS 61 3HZ LYS 61 -8.962 0.560 5.569 428 H CYS 62 H CYS 62 -8.559 -3.320 -1.447 429 HA CYS 62 HA CYS 62 -11.426 -3.797 -1.136 430 HB2 CYS 62 1HB CYS 62 -9.738 -2.941 -3.489 431 HB3 CYS 62 2HB CYS 62 -11.450 -3.330 -3.629 432 H ARG 63 H ARG 63 -8.668 -5.092 -2.977 433 HA ARG 63 HA ARG 63 -9.959 -7.245 -4.166 434 HB2 ARG 63 1HB ARG 63 -7.755 -8.237 -4.439 435 HB3 ARG 63 2HB ARG 63 -7.682 -6.508 -4.750 436 HG2 ARG 63 1HG ARG 63 -5.787 -6.897 -3.485 437 HG3 ARG 63 2HG ARG 63 -6.948 -6.317 -2.289 438 HD2 ARG 63 1HD ARG 63 -7.161 -8.366 -1.300 439 HD3 ARG 63 2HD ARG 63 -6.807 -9.241 -2.788 440 HE ARG 63 HE ARG 63 -4.923 -8.356 -0.807 441 HH11 ARG 63 1HH1 ARG 63 -5.365 -9.244 -4.144 442 HH12 ARG 63 2HH1 ARG 63 -3.706 -9.683 -4.382 443 HH21 ARG 63 1HH2 ARG 63 -2.737 -8.931 -1.108 444 HH22 ARG 63 2HH2 ARG 63 -2.212 -9.506 -2.654 445 H GLY 64 H GLY 64 -9.070 -6.757 -0.880 446 HA2 GLY 64 1HA GLY 64 -8.860 -9.461 -0.057 447 HA3 GLY 64 2HA GLY 64 -9.198 -8.089 0.988 448 H ASP 65 H ASP 65 -10.386 -10.959 -0.060 449 HA ASP 65 HA ASP 65 -13.176 -10.115 0.378 450 HB2 ASP 65 1HB ASP 65 -13.667 -12.351 -0.859 451 HB3 ASP 65 2HB ASP 65 -13.197 -10.938 -1.799 452 H SER 66 H SER 66 -12.915 -10.356 2.650 453 HA SER 66 HA SER 66 -12.538 -13.120 3.580 454 HB2 SER 66 1HB SER 66 -12.165 -12.106 5.816 455 HB3 SER 66 2HB SER 66 -11.017 -11.521 4.612 456 HG SER 66 HG SER 66 -11.693 -9.688 5.510 457 H GLY 67 H GLY 67 -14.637 -10.282 3.957 458 HA2 GLY 67 1HA GLY 67 -16.995 -11.843 4.099 459 HA3 GLY 67 2HA GLY 67 -16.505 -11.364 5.717 460 HA PRO 68 HA PRO 68 -17.342 -7.200 3.439 461 HB2 PRO 68 1HB PRO 68 -18.194 -7.327 0.865 462 HB3 PRO 68 2HB PRO 68 -16.485 -7.247 1.308 463 HG2 PRO 68 1HG PRO 68 -18.137 -9.627 0.555 464 HG3 PRO 68 2HG PRO 68 -16.488 -9.207 0.057 465 HD2 PRO 68 1HD PRO 68 -17.005 -11.022 1.998 466 HD3 PRO 68 2HD PRO 68 -15.561 -9.989 2.017 467 H SER 69 H SER 69 -19.121 -7.049 4.772 468 HA SER 69 HA SER 69 -21.582 -8.375 4.306 469 HB2 SER 69 1HB SER 69 -20.794 -6.036 6.038 470 HB3 SER 69 2HB SER 69 -22.459 -6.611 5.953 471 HG SER 69 HG SER 69 -21.714 -7.837 7.532 472 H SER 70 H SER 70 -20.781 -4.907 4.027 473 HA SER 70 HA SER 70 -23.165 -4.293 2.603 474 HB2 SER 70 1HB SER 70 -22.020 -2.594 3.936 475 HB3 SER 70 2HB SER 70 -20.599 -2.712 2.898 476 HG SER 70 HG SER 70 -22.137 -2.116 1.151 477 H GLY 71 H GLY 71 -23.314 -3.510 0.411 478 HA2 GLY 71 1HA GLY 71 -21.156 -4.360 -1.386 479 HA3 GLY 71 2HA GLY 71 -22.754 -5.054 -1.620 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 19.993 -6.049 26.568 2 HA2 GLY 1 1HA GLY 1 18.582 -5.249 24.893 3 HA3 GLY 1 2HA GLY 1 18.088 -6.935 24.932 4 H SER 2 H SER 2 16.827 -4.026 24.720 5 HA SER 2 HA SER 2 14.611 -4.519 26.588 6 HB2 SER 2 1HB SER 2 15.950 -2.273 26.490 7 HB3 SER 2 2HB SER 2 14.954 -1.952 25.070 8 HG SER 2 HG SER 2 14.042 -2.517 27.698 9 H SER 3 H SER 3 12.439 -4.267 25.855 10 HA SER 3 HA SER 3 12.116 -4.642 22.949 11 HB2 SER 3 1HB SER 3 10.185 -6.125 23.480 12 HB3 SER 3 2HB SER 3 11.721 -6.761 24.068 13 HG SER 3 HG SER 3 9.544 -5.750 25.490 14 H GLY 4 H GLY 4 10.536 -3.499 21.940 15 HA2 GLY 4 1HA GLY 4 8.208 -2.500 22.470 16 HA3 GLY 4 2HA GLY 4 9.132 -1.514 23.594 17 H SER 5 H SER 5 7.534 -0.602 21.378 18 HA SER 5 HA SER 5 9.493 0.305 19.413 19 HB2 SER 5 1HB SER 5 7.352 -0.513 18.559 20 HB3 SER 5 2HB SER 5 6.489 0.678 19.531 21 HG SER 5 HG SER 5 7.656 2.298 18.316 22 H SER 6 H SER 6 9.727 2.544 18.881 23 HA SER 6 HA SER 6 8.668 4.544 20.671 24 HB2 SER 6 1HB SER 6 10.864 5.348 21.442 25 HB3 SER 6 2HB SER 6 10.562 3.699 21.987 26 HG SER 6 HG SER 6 11.740 3.375 19.726 27 H GLY 7 H GLY 7 8.337 6.357 19.556 28 HA2 GLY 7 1HA GLY 7 10.086 7.648 17.853 29 HA3 GLY 7 2HA GLY 7 9.154 6.564 16.833 30 H GLU 8 H GLU 8 8.911 9.249 19.110 31 HA GLU 8 HA GLU 8 6.272 9.839 19.140 32 HB2 GLU 8 1HB GLU 8 8.367 11.164 20.021 33 HB3 GLU 8 2HB GLU 8 8.156 12.082 18.537 34 HG2 GLU 8 1HG GLU 8 5.891 12.658 19.187 35 HG3 GLU 8 2HG GLU 8 6.052 11.692 20.653 36 H PHE 9 H PHE 9 4.722 10.396 17.745 37 HA PHE 9 HA PHE 9 5.526 11.019 14.980 38 HB2 PHE 9 1HB PHE 9 3.368 10.059 14.279 39 HB3 PHE 9 2HB PHE 9 4.344 8.887 15.159 40 HD1 PHE 9 HD1 PHE 9 3.775 8.333 17.511 41 HD2 PHE 9 HD2 PHE 9 1.253 10.744 15.073 42 HE1 PHE 9 HE1 PHE 9 1.904 7.937 19.060 43 HE2 PHE 9 HE2 PHE 9 -0.621 10.353 16.618 44 HZ PHE 9 HZ PHE 9 -0.297 8.948 18.615 45 H ALA 10 H ALA 10 5.104 13.004 14.301 46 HA ALA 10 HA ALA 10 2.970 14.529 15.649 47 HB1 ALA 10 1HB ALA 10 5.423 15.262 15.915 48 HB2 ALA 10 2HB ALA 10 5.282 15.820 14.247 49 HB3 ALA 10 3HB ALA 10 4.223 16.483 15.491 50 H ILE 11 H ILE 11 2.593 12.793 13.375 51 HA ILE 11 HA ILE 11 2.603 13.793 10.875 52 HB ILE 11 HB ILE 11 0.220 12.473 12.179 53 HG12 ILE 11 1HG1 ILE 11 2.290 11.148 10.443 54 HG13 ILE 11 2HG1 ILE 11 2.534 11.318 12.178 55 HG21 ILE 11 1HG2 ILE 11 0.014 11.699 9.655 56 HG22 ILE 11 2HG2 ILE 11 -0.719 13.194 10.234 57 HG23 ILE 11 3HG2 ILE 11 0.822 13.243 9.377 58 HD11 ILE 11 1HD1 ILE 11 0.457 10.075 12.571 59 HD12 ILE 11 2HD1 ILE 11 0.268 9.871 10.829 60 HD13 ILE 11 3HD1 ILE 11 1.641 9.139 11.659 61 H ASP 12 H ASP 12 2.342 15.882 10.363 62 HA ASP 12 HA ASP 12 0.916 17.853 11.537 63 HB2 ASP 12 1HB ASP 12 1.397 17.352 8.603 64 HB3 ASP 12 2HB ASP 12 0.616 18.820 9.185 65 HA PRO 13 HA PRO 13 -3.318 16.555 11.338 66 HB2 PRO 13 1HB PRO 13 -4.404 18.870 12.250 67 HB3 PRO 13 2HB PRO 13 -3.593 17.708 13.307 68 HG2 PRO 13 1HG PRO 13 -2.538 20.246 12.120 69 HG3 PRO 13 2HG PRO 13 -2.342 19.614 13.765 70 HD2 PRO 13 1HD PRO 13 -0.411 19.393 11.880 71 HD3 PRO 13 2HD PRO 13 -0.654 18.172 13.145 72 H ASN 14 H ASN 14 -2.543 19.855 10.217 73 HA ASN 14 HA ASN 14 -4.683 20.438 8.664 74 HB2 ASN 14 1HB ASN 14 -1.797 20.909 7.880 75 HB3 ASN 14 2HB ASN 14 -3.191 21.776 7.243 76 HD21 ASN 14 1HD2 ASN 14 -1.194 21.231 10.051 77 HD22 ASN 14 2HD2 ASN 14 -1.671 22.653 10.908 78 H GLU 15 H GLU 15 -1.769 18.880 7.310 79 HA GLU 15 HA GLU 15 -3.074 18.120 4.907 80 HB2 GLU 15 1HB GLU 15 -0.611 18.455 5.148 81 HB3 GLU 15 2HB GLU 15 -0.540 16.971 6.088 82 HG2 GLU 15 1HG GLU 15 0.088 16.292 3.971 83 HG3 GLU 15 2HG GLU 15 -1.620 15.862 4.041 84 HA PRO 16 HA PRO 16 -5.229 14.596 6.573 85 HB2 PRO 16 1HB PRO 16 -6.318 13.801 4.216 86 HB3 PRO 16 2HB PRO 16 -6.940 15.167 5.150 87 HG2 PRO 16 1HG PRO 16 -5.132 15.170 2.765 88 HG3 PRO 16 2HG PRO 16 -6.513 16.223 3.123 89 HD2 PRO 16 1HD PRO 16 -3.949 17.001 3.511 90 HD3 PRO 16 2HD PRO 16 -5.284 17.566 4.536 91 H THR 17 H THR 17 -5.567 12.245 5.553 92 HA THR 17 HA THR 17 -2.983 11.313 4.498 93 HB THR 17 HB THR 17 -3.041 9.370 5.970 94 HG1 THR 17 HG1 THR 17 -5.374 10.604 7.052 95 HG21 THR 17 1HG2 THR 17 -2.219 11.813 6.677 96 HG22 THR 17 2HG2 THR 17 -2.114 10.427 7.762 97 HG23 THR 17 3HG2 THR 17 -3.448 11.569 7.918 98 H TYR 18 H TYR 18 -3.058 9.297 3.359 99 HA TYR 18 HA TYR 18 -5.752 8.493 2.487 100 HB2 TYR 18 1HB TYR 18 -3.331 8.837 0.705 101 HB3 TYR 18 2HB TYR 18 -4.903 8.232 0.193 102 HD1 TYR 18 HD2 TYR 18 -3.454 11.210 1.934 103 HD2 TYR 18 HD1 TYR 18 -6.332 9.726 -0.826 104 HE1 TYR 18 HE2 TYR 18 -4.179 13.512 1.462 105 HE2 TYR 18 HE1 TYR 18 -7.065 12.024 -1.307 106 HH TYR 18 HH TYR 18 -7.025 14.208 -0.344 107 H CYS 19 H CYS 19 -2.374 7.483 1.936 108 HA CYS 19 HA CYS 19 -2.760 4.804 1.579 109 HB2 CYS 19 1HB CYS 19 -0.577 6.189 1.535 110 HB3 CYS 19 2HB CYS 19 -0.459 5.791 3.246 111 H LEU 20 H LEU 20 -2.173 2.993 3.097 112 HA LEU 20 HA LEU 20 -3.969 2.978 5.281 113 HB2 LEU 20 1HB LEU 20 -1.715 1.046 4.780 114 HB3 LEU 20 2HB LEU 20 -3.180 0.758 5.716 115 HG LEU 20 HG LEU 20 -3.373 1.387 2.797 116 HD11 LEU 20 1HD1 LEU 20 -2.874 -1.360 3.932 117 HD12 LEU 20 2HD1 LEU 20 -1.697 -0.410 3.026 118 HD13 LEU 20 3HD1 LEU 20 -3.182 -0.952 2.244 119 HD21 LEU 20 1HD2 LEU 20 -5.467 0.440 2.943 120 HD22 LEU 20 2HD2 LEU 20 -5.307 1.177 4.538 121 HD23 LEU 20 3HD2 LEU 20 -5.039 -0.555 4.335 122 H CYS 21 H CYS 21 -0.483 3.401 5.031 123 HA CYS 21 HA CYS 21 0.125 3.216 7.773 124 HB2 CYS 21 1HB CYS 21 2.205 4.415 7.184 125 HB3 CYS 21 2HB CYS 21 1.863 3.093 6.073 126 H ASN 22 H ASN 22 -1.764 5.444 6.191 127 HA ASN 22 HA ASN 22 -2.681 7.443 6.769 128 HB2 ASN 22 1HB ASN 22 -3.179 6.348 8.886 129 HB3 ASN 22 2HB ASN 22 -1.564 6.715 9.485 130 HD21 ASN 22 1HD2 ASN 22 -1.366 8.456 10.689 131 HD22 ASN 22 2HD2 ASN 22 -2.466 9.788 10.738 132 H GLN 23 H GLN 23 -0.400 7.752 5.425 133 HA GLN 23 HA GLN 23 0.966 9.950 6.832 134 HB2 GLN 23 1HB GLN 23 2.084 7.829 5.018 135 HB3 GLN 23 2HB GLN 23 2.913 9.364 5.242 136 HG2 GLN 23 1HG GLN 23 2.116 7.709 7.600 137 HG3 GLN 23 2HG GLN 23 3.582 7.342 6.693 138 HE21 GLN 23 1HE2 GLN 23 4.612 7.805 8.763 139 HE22 GLN 23 2HE2 GLN 23 4.994 9.443 9.157 140 H VAL 24 H VAL 24 1.843 11.633 5.409 141 HA VAL 24 HA VAL 24 -0.096 12.601 3.616 142 HB VAL 24 HB VAL 24 1.565 14.329 3.019 143 HG11 VAL 24 1HG1 VAL 24 0.165 14.308 5.168 144 HG12 VAL 24 2HG1 VAL 24 1.677 13.913 5.988 145 HG13 VAL 24 3HG1 VAL 24 1.531 15.421 5.084 146 HG21 VAL 24 1HG2 VAL 24 3.403 12.579 4.634 147 HG22 VAL 24 2HG2 VAL 24 3.609 13.139 2.974 148 HG23 VAL 24 3HG2 VAL 24 3.741 14.280 4.312 149 H SER 25 H SER 25 -0.447 12.213 1.532 150 HA SER 25 HA SER 25 0.808 10.223 0.081 151 HB2 SER 25 1HB SER 25 -0.755 12.631 -0.868 152 HB3 SER 25 2HB SER 25 -0.241 11.329 -1.941 153 HG SER 25 HG SER 25 -1.380 10.151 0.088 154 H TYR 26 H TYR 26 2.688 10.065 -0.942 155 HA TYR 26 HA TYR 26 3.925 12.339 -2.211 156 HB2 TYR 26 1HB TYR 26 5.828 12.560 -0.896 157 HB3 TYR 26 2HB TYR 26 4.576 12.305 0.315 158 HD1 TYR 26 HD2 TYR 26 4.258 9.912 1.194 159 HD2 TYR 26 HD1 TYR 26 7.702 11.167 -0.968 160 HE1 TYR 26 HE2 TYR 26 5.514 8.000 2.096 161 HE2 TYR 26 HE1 TYR 26 8.967 9.257 -0.072 162 HH TYR 26 HH TYR 26 8.957 7.565 1.392 163 H GLY 27 H GLY 27 6.226 11.601 -3.021 164 HA2 GLY 27 1HA GLY 27 7.269 10.256 -4.571 165 HA3 GLY 27 2HA GLY 27 6.970 8.985 -3.394 166 H GLU 28 H GLU 28 6.832 7.584 -5.280 167 HA GLU 28 HA GLU 28 4.781 7.899 -7.215 168 HB2 GLU 28 1HB GLU 28 6.421 5.514 -6.364 169 HB3 GLU 28 2HB GLU 28 5.246 5.448 -7.670 170 HG2 GLU 28 1HG GLU 28 7.425 5.758 -8.600 171 HG3 GLU 28 2HG GLU 28 6.492 7.235 -8.832 172 H MET 29 H MET 29 2.676 7.490 -7.081 173 HA MET 29 HA MET 29 1.710 5.558 -5.102 174 HB2 MET 29 1HB MET 29 1.006 8.454 -5.277 175 HB3 MET 29 2HB MET 29 -0.249 7.312 -4.815 176 HG2 MET 29 1HG MET 29 1.136 6.534 -2.962 177 HG3 MET 29 2HG MET 29 2.395 7.677 -3.426 178 HE1 MET 29 1HE MET 29 -0.536 7.606 -0.629 179 HE2 MET 29 2HE MET 29 -1.695 8.419 -1.680 180 HE3 MET 29 3HE MET 29 -0.934 6.916 -2.203 181 H ILE 30 H ILE 30 0.058 4.311 -5.800 182 HA ILE 30 HA ILE 30 -0.949 4.849 -8.509 183 HB ILE 30 HB ILE 30 -1.313 2.547 -8.801 184 HG12 ILE 30 1HG1 ILE 30 -2.397 2.143 -6.614 185 HG13 ILE 30 2HG1 ILE 30 -1.224 0.893 -7.015 186 HG21 ILE 30 1HG2 ILE 30 0.876 1.498 -8.091 187 HG22 ILE 30 2HG2 ILE 30 0.996 2.990 -9.022 188 HG23 ILE 30 3HG2 ILE 30 1.234 3.020 -7.275 189 HD11 ILE 30 1HD1 ILE 30 0.400 2.335 -5.597 190 HD12 ILE 30 2HD1 ILE 30 -1.084 3.024 -4.937 191 HD13 ILE 30 3HD1 ILE 30 -0.777 1.293 -4.799 192 H GLY 31 H GLY 31 -3.204 4.152 -8.953 193 HA2 GLY 31 1HA GLY 31 -4.927 4.953 -6.705 194 HA3 GLY 31 2HA GLY 31 -5.347 5.086 -8.406 195 H CYS 32 H CYS 32 -6.711 3.779 -6.089 196 HA CYS 32 HA CYS 32 -6.570 0.958 -6.513 197 HB2 CYS 32 1HB CYS 32 -7.285 1.831 -4.362 198 HB3 CYS 32 2HB CYS 32 -8.642 2.662 -5.116 199 H ASP 33 H ASP 33 -7.479 3.142 -8.628 200 HA ASP 33 HA ASP 33 -9.084 3.347 -10.271 201 HB2 ASP 33 1HB ASP 33 -8.607 0.363 -10.400 202 HB3 ASP 33 2HB ASP 33 -9.133 1.406 -11.719 203 H ASN 34 H ASN 34 -10.169 2.794 -7.571 204 HA ASN 34 HA ASN 34 -12.689 1.489 -8.367 205 HB2 ASN 34 1HB ASN 34 -11.512 0.230 -6.624 206 HB3 ASN 34 2HB ASN 34 -11.451 1.669 -5.611 207 HD21 ASN 34 1HD2 ASN 34 -12.585 0.692 -3.953 208 HD22 ASN 34 2HD2 ASN 34 -14.278 0.361 -4.057 209 H GLU 35 H GLU 35 -14.649 2.356 -7.451 210 HA GLU 35 HA GLU 35 -14.522 5.258 -7.219 211 HB2 GLU 35 1HB GLU 35 -16.128 4.243 -8.790 212 HB3 GLU 35 2HB GLU 35 -16.913 3.422 -7.448 213 HG2 GLU 35 1HG GLU 35 -18.255 5.278 -7.896 214 HG3 GLU 35 2HG GLU 35 -17.322 5.724 -6.469 215 H GLN 36 H GLN 36 -15.705 2.458 -5.404 216 HA GLN 36 HA GLN 36 -16.808 3.891 -3.246 217 HB2 GLN 36 1HB GLN 36 -17.001 1.367 -3.918 218 HB3 GLN 36 2HB GLN 36 -15.596 1.177 -2.878 219 HG2 GLN 36 1HG GLN 36 -16.779 1.925 -0.978 220 HG3 GLN 36 2HG GLN 36 -18.125 2.506 -1.957 221 HE21 GLN 36 1HE2 GLN 36 -19.553 1.258 -0.702 222 HE22 GLN 36 2HE2 GLN 36 -19.687 -0.449 -0.925 223 H CYS 37 H CYS 37 -13.571 2.611 -3.835 224 HA CYS 37 HA CYS 37 -12.393 2.886 -1.377 225 HB2 CYS 37 1HB CYS 37 -11.413 2.155 -3.693 226 HB3 CYS 37 2HB CYS 37 -10.924 3.842 -3.809 227 HA PRO 38 HA PRO 38 -13.135 7.290 -0.768 228 HB2 PRO 38 1HB PRO 38 -12.507 7.252 1.873 229 HB3 PRO 38 2HB PRO 38 -14.079 6.736 1.252 230 HG2 PRO 38 1HG PRO 38 -11.720 5.075 2.049 231 HG3 PRO 38 2HG PRO 38 -13.440 4.810 2.388 232 HD2 PRO 38 1HD PRO 38 -12.124 3.499 0.417 233 HD3 PRO 38 2HD PRO 38 -13.844 3.923 0.298 234 H ILE 39 H ILE 39 -10.336 5.475 -0.833 235 HA ILE 39 HA ILE 39 -8.652 7.806 -0.190 236 HB ILE 39 HB ILE 39 -7.894 4.882 -0.220 237 HG12 ILE 39 1HG1 ILE 39 -7.921 6.747 2.147 238 HG13 ILE 39 2HG1 ILE 39 -9.334 5.799 1.697 239 HG21 ILE 39 1HG2 ILE 39 -6.033 6.726 1.030 240 HG22 ILE 39 2HG2 ILE 39 -5.742 5.456 -0.158 241 HG23 ILE 39 3HG2 ILE 39 -6.259 7.056 -0.687 242 HD11 ILE 39 1HD1 ILE 39 -6.922 5.002 3.092 243 HD12 ILE 39 2HD1 ILE 39 -8.501 4.220 3.015 244 HD13 ILE 39 3HD1 ILE 39 -7.313 3.936 1.743 245 H GLU 40 H GLU 40 -8.854 5.012 -2.394 246 HA GLU 40 HA GLU 40 -7.961 4.672 -4.475 247 HB2 GLU 40 1HB GLU 40 -9.912 6.467 -4.638 248 HB3 GLU 40 2HB GLU 40 -8.594 7.503 -5.165 249 HG2 GLU 40 1HG GLU 40 -8.066 5.945 -6.957 250 HG3 GLU 40 2HG GLU 40 -9.360 4.876 -6.419 251 H TRP 41 H TRP 41 -6.036 5.537 -2.551 252 HA TRP 41 HA TRP 41 -3.939 6.324 -4.336 253 HB2 TRP 41 1HB TRP 41 -4.811 8.240 -2.165 254 HB3 TRP 41 2HB TRP 41 -3.271 8.344 -3.014 255 HD1 TRP 41 HD1 TRP 41 -6.639 9.725 -3.147 256 HE1 TRP 41 HE1 TRP 41 -7.124 10.791 -5.439 257 HE3 TRP 41 HE3 TRP 41 -2.740 7.754 -5.802 258 HZ2 TRP 41 HZ2 TRP 41 -6.003 10.796 -8.029 259 HZ3 TRP 41 HZ3 TRP 41 -2.518 8.339 -8.182 260 HH2 TRP 41 HH2 TRP 41 -4.118 9.828 -9.270 261 H PHE 42 H PHE 42 -2.279 5.106 -3.752 262 HA PHE 42 HA PHE 42 -1.604 4.831 -0.927 263 HB2 PHE 42 1HB PHE 42 -2.028 2.464 -2.762 264 HB3 PHE 42 2HB PHE 42 -1.335 2.377 -1.146 265 HD1 PHE 42 HD1 PHE 42 -4.393 2.934 -3.083 266 HD2 PHE 42 HD2 PHE 42 -2.713 2.569 0.810 267 HE1 PHE 42 HE1 PHE 42 -6.651 2.696 -2.135 268 HE2 PHE 42 HE2 PHE 42 -4.968 2.329 1.764 269 HZ PHE 42 HZ PHE 42 -6.940 2.391 0.291 270 H HIS 43 H HIS 43 0.564 3.940 -0.593 271 HA HIS 43 HA HIS 43 2.390 4.955 -2.590 272 HB2 HIS 43 1HB HIS 43 2.989 3.623 0.059 273 HB3 HIS 43 2HB HIS 43 4.128 4.527 -0.934 274 HD2 HIS 43 HD2 HIS 43 2.629 7.292 -1.402 275 HE1 HIS 43 HE1 HIS 43 1.946 7.330 2.785 276 HE2 HIS 43 HE2 HIS 43 1.920 8.683 0.660 277 H PHE 44 H PHE 44 4.495 3.537 -2.832 278 HA PHE 44 HA PHE 44 3.604 1.058 -4.059 279 HB2 PHE 44 1HB PHE 44 6.134 2.676 -4.189 280 HB3 PHE 44 2HB PHE 44 6.089 1.026 -4.800 281 HD1 PHE 44 HD2 PHE 44 3.566 3.758 -4.975 282 HD2 PHE 44 HD1 PHE 44 6.181 1.158 -7.100 283 HE1 PHE 44 HE2 PHE 44 2.644 4.576 -7.104 284 HE2 PHE 44 HE1 PHE 44 5.264 1.972 -9.232 285 HZ PHE 44 HZ PHE 44 3.492 3.683 -9.237 286 H SER 45 H SER 45 6.486 1.888 -2.130 287 HA SER 45 HA SER 45 7.297 -0.587 -1.378 288 HB2 SER 45 1HB SER 45 7.295 1.996 0.175 289 HB3 SER 45 2HB SER 45 8.023 0.528 0.828 290 HG SER 45 HG SER 45 9.125 2.241 -0.815 291 H CYS 46 H CYS 46 4.705 1.296 0.123 292 HA CYS 46 HA CYS 46 4.162 -0.430 2.263 293 HB2 CYS 46 1HB CYS 46 2.562 1.632 0.787 294 HB3 CYS 46 2HB CYS 46 1.777 0.617 1.992 295 H VAL 47 H VAL 47 2.704 -0.262 -0.977 296 HA VAL 47 HA VAL 47 1.194 -2.695 -0.492 297 HB VAL 47 HB VAL 47 0.264 -2.361 -2.720 298 HG11 VAL 47 1HG1 VAL 47 -0.565 0.082 -2.324 299 HG12 VAL 47 2HG1 VAL 47 -0.999 -1.194 -1.184 300 HG13 VAL 47 3HG1 VAL 47 0.309 -0.074 -0.800 301 HG21 VAL 47 1HG2 VAL 47 2.357 -0.215 -2.898 302 HG22 VAL 47 2HG2 VAL 47 2.051 -1.550 -4.008 303 HG23 VAL 47 3HG2 VAL 47 0.918 -0.202 -3.918 304 H SER 48 H SER 48 4.156 -2.728 -0.573 305 HA SER 48 HA SER 48 5.893 -3.882 -1.513 306 HB2 SER 48 1HB SER 48 4.453 -5.687 -0.548 307 HB3 SER 48 2HB SER 48 3.711 -5.885 -2.135 308 HG SER 48 HG SER 48 5.463 -6.848 -2.848 309 H LEU 49 H LEU 49 5.188 -1.977 -3.246 310 HA LEU 49 HA LEU 49 5.141 -3.327 -5.865 311 HB2 LEU 49 1HB LEU 49 3.880 -0.835 -4.876 312 HB3 LEU 49 2HB LEU 49 4.491 -0.826 -6.529 313 HG LEU 49 HG LEU 49 2.502 -2.831 -5.472 314 HD11 LEU 49 1HD1 LEU 49 0.812 -1.449 -5.930 315 HD12 LEU 49 2HD1 LEU 49 1.567 -0.871 -7.415 316 HD13 LEU 49 3HD1 LEU 49 2.015 -0.161 -5.865 317 HD21 LEU 49 1HD2 LEU 49 2.854 -2.183 -8.347 318 HD22 LEU 49 2HD2 LEU 49 2.398 -3.701 -7.574 319 HD23 LEU 49 3HD2 LEU 49 4.084 -3.180 -7.570 320 H THR 50 H THR 50 6.612 -2.705 -7.429 321 HA THR 50 HA THR 50 8.850 -1.059 -6.449 322 HB THR 50 HB THR 50 10.198 -2.266 -8.219 323 HG1 THR 50 HG1 THR 50 7.975 -3.090 -9.093 324 HG21 THR 50 1HG2 THR 50 10.781 -3.112 -6.195 325 HG22 THR 50 2HG2 THR 50 9.948 -4.541 -6.809 326 HG23 THR 50 3HG2 THR 50 9.111 -3.428 -5.727 327 H TYR 51 H TYR 51 6.597 -1.574 -9.065 328 HA TYR 51 HA TYR 51 7.216 1.056 -10.119 329 HB2 TYR 51 1HB TYR 51 7.311 0.075 -12.484 330 HB3 TYR 51 2HB TYR 51 8.742 -0.119 -11.476 331 HD1 TYR 51 HD2 TYR 51 5.567 -1.954 -12.221 332 HD2 TYR 51 HD1 TYR 51 9.751 -2.188 -11.488 333 HE1 TYR 51 HE2 TYR 51 5.489 -4.385 -12.587 334 HE2 TYR 51 HE1 TYR 51 9.685 -4.620 -11.854 335 HH TYR 51 HH TYR 51 6.631 -6.287 -12.568 336 H LYS 52 H LYS 52 5.581 1.889 -11.509 337 HA LYS 52 HA LYS 52 2.975 1.323 -10.767 338 HB2 LYS 52 1HB LYS 52 4.080 3.315 -12.140 339 HB3 LYS 52 2HB LYS 52 3.456 2.399 -13.505 340 HG2 LYS 52 1HG LYS 52 1.758 3.243 -11.173 341 HG3 LYS 52 2HG LYS 52 1.957 4.211 -12.636 342 HD2 LYS 52 1HD LYS 52 0.796 2.712 -13.946 343 HD3 LYS 52 2HD LYS 52 1.144 1.349 -12.879 344 HE2 LYS 52 1HE LYS 52 -0.510 3.577 -11.813 345 HE3 LYS 52 2HE LYS 52 -1.251 2.483 -12.980 346 HZ1 LYS 52 1HZ LYS 52 -0.135 1.835 -10.319 347 HZ2 LYS 52 2HZ LYS 52 -0.411 0.640 -11.483 348 HZ3 LYS 52 3HZ LYS 52 -1.702 1.562 -10.896 349 HA PRO 53 HA PRO 53 2.497 -2.544 -13.004 350 HB2 PRO 53 1HB PRO 53 0.104 -3.164 -11.882 351 HB3 PRO 53 2HB PRO 53 1.647 -3.418 -11.057 352 HG2 PRO 53 1HG PRO 53 -0.316 -1.178 -10.754 353 HG3 PRO 53 2HG PRO 53 0.574 -2.062 -9.501 354 HD2 PRO 53 1HD PRO 53 1.337 0.383 -10.380 355 HD3 PRO 53 2HD PRO 53 2.501 -0.841 -9.831 356 H LYS 54 H LYS 54 1.878 -2.498 -15.064 357 HA LYS 54 HA LYS 54 0.045 -0.645 -16.139 358 HB2 LYS 54 1HB LYS 54 1.842 -1.676 -17.462 359 HB3 LYS 54 2HB LYS 54 1.053 -3.241 -17.319 360 HG2 LYS 54 1HG LYS 54 -0.504 -0.993 -18.475 361 HG3 LYS 54 2HG LYS 54 0.766 -1.727 -19.457 362 HD2 LYS 54 1HD LYS 54 -0.258 -3.897 -19.248 363 HD3 LYS 54 2HD LYS 54 -1.452 -3.268 -18.111 364 HE2 LYS 54 1HE LYS 54 -2.470 -3.485 -20.280 365 HE3 LYS 54 2HE LYS 54 -2.297 -1.773 -19.895 366 HZ1 LYS 54 1HZ LYS 54 -0.006 -2.730 -21.263 367 HZ2 LYS 54 2HZ LYS 54 -1.057 -1.477 -21.691 368 HZ3 LYS 54 3HZ LYS 54 -1.401 -3.066 -22.159 369 H GLY 55 H GLY 55 -2.103 -0.653 -16.169 370 HA2 GLY 55 1HA GLY 55 -4.117 -1.932 -16.798 371 HA3 GLY 55 2HA GLY 55 -3.484 -3.243 -15.813 372 H LYS 56 H LYS 56 -5.692 -3.054 -14.873 373 HA LYS 56 HA LYS 56 -6.252 -0.770 -13.214 374 HB2 LYS 56 1HB LYS 56 -8.160 -2.231 -12.406 375 HB3 LYS 56 2HB LYS 56 -8.151 -1.857 -14.125 376 HG2 LYS 56 1HG LYS 56 -7.273 -4.040 -14.643 377 HG3 LYS 56 2HG LYS 56 -7.122 -4.420 -12.925 378 HD2 LYS 56 1HD LYS 56 -9.702 -3.826 -12.940 379 HD3 LYS 56 2HD LYS 56 -9.549 -4.277 -14.640 380 HE2 LYS 56 1HE LYS 56 -8.993 -6.465 -14.143 381 HE3 LYS 56 2HE LYS 56 -8.417 -6.060 -12.527 382 HZ1 LYS 56 1HZ LYS 56 -10.617 -5.834 -11.749 383 HZ2 LYS 56 2HZ LYS 56 -10.589 -7.275 -12.633 384 HZ3 LYS 56 3HZ LYS 56 -11.270 -5.882 -13.309 385 H TRP 57 H TRP 57 -5.653 -0.460 -11.171 386 HA TRP 57 HA TRP 57 -4.626 -2.770 -9.656 387 HB2 TRP 57 1HB TRP 57 -2.849 -1.168 -10.346 388 HB3 TRP 57 2HB TRP 57 -3.682 0.097 -9.447 389 HD1 TRP 57 HD1 TRP 57 -1.447 -2.940 -8.968 390 HE1 TRP 57 HE1 TRP 57 -0.661 -3.024 -6.518 391 HE3 TRP 57 HE3 TRP 57 -4.416 0.747 -7.037 392 HZ2 TRP 57 HZ2 TRP 57 -1.227 -1.702 -4.089 393 HZ3 TRP 57 HZ3 TRP 57 -4.233 1.275 -4.641 394 HH2 TRP 57 HH2 TRP 57 -2.671 0.074 -3.199 395 H TYR 58 H TYR 58 -5.616 -3.193 -7.794 396 HA TYR 58 HA TYR 58 -7.281 -1.079 -6.591 397 HB2 TYR 58 1HB TYR 58 -7.789 -4.052 -6.772 398 HB3 TYR 58 2HB TYR 58 -8.714 -2.971 -5.736 399 HD1 TYR 58 HD2 TYR 58 -10.048 -1.115 -6.802 400 HD2 TYR 58 HD1 TYR 58 -8.284 -4.253 -9.071 401 HE1 TYR 58 HE2 TYR 58 -11.550 -0.595 -8.679 402 HE2 TYR 58 HE1 TYR 58 -9.781 -3.741 -10.954 403 HH TYR 58 HH TYR 58 -11.729 -2.637 -11.511 404 H CYS 59 H CYS 59 -6.728 -0.492 -4.606 405 HA CYS 59 HA CYS 59 -4.543 -1.226 -3.205 406 HB2 CYS 59 1HB CYS 59 -5.442 -0.149 -1.323 407 HB3 CYS 59 2HB CYS 59 -6.280 0.601 -2.678 408 HA PRO 60 HA PRO 60 -5.010 -5.282 -1.594 409 HB2 PRO 60 1HB PRO 60 -3.635 -5.075 0.738 410 HB3 PRO 60 2HB PRO 60 -2.846 -5.100 -0.844 411 HG2 PRO 60 1HG PRO 60 -3.510 -2.763 0.905 412 HG3 PRO 60 2HG PRO 60 -2.029 -3.087 -0.015 413 HD2 PRO 60 1HD PRO 60 -3.946 -1.387 -0.892 414 HD3 PRO 60 2HD PRO 60 -2.950 -2.356 -1.997 415 H LYS 61 H LYS 61 -6.590 -2.677 -0.301 416 HA LYS 61 HA LYS 61 -7.706 -4.143 1.974 417 HB2 LYS 61 1HB LYS 61 -7.534 -1.284 1.192 418 HB3 LYS 61 2HB LYS 61 -8.964 -1.773 2.092 419 HG2 LYS 61 1HG LYS 61 -7.146 -2.905 3.648 420 HG3 LYS 61 2HG LYS 61 -6.129 -1.642 2.950 421 HD2 LYS 61 1HD LYS 61 -6.984 -0.579 4.812 422 HD3 LYS 61 2HD LYS 61 -8.128 -0.083 3.563 423 HE2 LYS 61 1HE LYS 61 -9.788 -1.503 4.340 424 HE3 LYS 61 2HE LYS 61 -8.640 -2.550 5.175 425 HZ1 LYS 61 1HZ LYS 61 -8.853 0.217 6.089 426 HZ2 LYS 61 2HZ LYS 61 -8.571 -1.196 6.976 427 HZ3 LYS 61 3HZ LYS 61 -10.138 -0.822 6.457 428 H CYS 62 H CYS 62 -8.452 -3.136 -1.239 429 HA CYS 62 HA CYS 62 -11.306 -3.654 -0.887 430 HB2 CYS 62 1HB CYS 62 -9.664 -2.510 -3.138 431 HB3 CYS 62 2HB CYS 62 -11.339 -2.998 -3.376 432 H ARG 63 H ARG 63 -8.541 -4.839 -2.767 433 HA ARG 63 HA ARG 63 -9.836 -6.821 -4.225 434 HB2 ARG 63 1HB ARG 63 -7.667 -7.827 -4.538 435 HB3 ARG 63 2HB ARG 63 -7.489 -6.078 -4.576 436 HG2 ARG 63 1HG ARG 63 -6.703 -6.118 -2.254 437 HG3 ARG 63 2HG ARG 63 -6.850 -7.877 -2.248 438 HD2 ARG 63 1HD ARG 63 -4.580 -7.449 -2.680 439 HD3 ARG 63 2HD ARG 63 -5.280 -7.861 -4.245 440 HE ARG 63 HE ARG 63 -5.445 -5.135 -4.102 441 HH11 ARG 63 1HH1 ARG 63 -2.882 -7.479 -3.862 442 HH12 ARG 63 2HH1 ARG 63 -1.672 -6.415 -4.500 443 HH21 ARG 63 1HH2 ARG 63 -3.861 -3.725 -4.943 444 HH22 ARG 63 2HH2 ARG 63 -2.230 -4.280 -5.113 445 H GLY 64 H GLY 64 -8.757 -6.796 -0.895 446 HA2 GLY 64 1HA GLY 64 -9.164 -9.635 -0.532 447 HA3 GLY 64 2HA GLY 64 -8.759 -8.468 0.718 448 H ASP 65 H ASP 65 -10.872 -10.661 0.361 449 HA ASP 65 HA ASP 65 -13.225 -9.004 0.987 450 HB2 ASP 65 1HB ASP 65 -13.720 -10.349 -0.913 451 HB3 ASP 65 2HB ASP 65 -13.004 -11.779 -0.174 452 H SER 66 H SER 66 -13.989 -9.045 2.995 453 HA SER 66 HA SER 66 -13.041 -11.177 4.795 454 HB2 SER 66 1HB SER 66 -13.295 -9.563 6.633 455 HB3 SER 66 2HB SER 66 -12.199 -8.945 5.397 456 HG SER 66 HG SER 66 -14.658 -8.011 6.204 457 H GLY 67 H GLY 67 -14.561 -11.463 6.742 458 HA2 GLY 67 1HA GLY 67 -17.372 -11.029 6.139 459 HA3 GLY 67 2HA GLY 67 -16.846 -12.706 6.126 460 HA PRO 68 HA PRO 68 -17.197 -13.038 10.480 461 HB2 PRO 68 1HB PRO 68 -14.885 -14.214 11.279 462 HB3 PRO 68 2HB PRO 68 -16.137 -15.074 10.375 463 HG2 PRO 68 1HG PRO 68 -13.593 -13.846 9.385 464 HG3 PRO 68 2HG PRO 68 -14.319 -15.408 8.965 465 HD2 PRO 68 1HD PRO 68 -14.531 -13.228 7.373 466 HD3 PRO 68 2HD PRO 68 -15.804 -14.461 7.479 467 H SER 69 H SER 69 -14.243 -11.500 9.360 468 HA SER 69 HA SER 69 -13.426 -10.435 11.852 469 HB2 SER 69 1HB SER 69 -12.114 -10.656 9.606 470 HB3 SER 69 2HB SER 69 -12.817 -9.080 9.242 471 HG SER 69 HG SER 69 -10.765 -8.927 10.274 472 H SER 70 H SER 70 -13.486 -8.212 12.534 473 HA SER 70 HA SER 70 -16.094 -7.046 12.147 474 HB2 SER 70 1HB SER 70 -15.383 -5.437 13.874 475 HB3 SER 70 2HB SER 70 -15.086 -7.098 14.385 476 HG SER 70 HG SER 70 -12.894 -6.499 13.256 477 H GLY 71 H GLY 71 -16.602 -5.163 11.119 478 HA2 GLY 71 1HA GLY 71 -14.520 -4.080 9.355 479 HA3 GLY 71 2HA GLY 71 -16.254 -3.902 9.131 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 31.958 23.428 -12.240 2 HA2 GLY 1 1HA GLY 1 33.772 21.806 -10.922 3 HA3 GLY 1 2HA GLY 1 32.692 22.421 -9.680 4 H SER 2 H SER 2 32.852 19.727 -10.157 5 HA SER 2 HA SER 2 30.436 19.097 -11.708 6 HB2 SER 2 1HB SER 2 32.660 17.285 -10.738 7 HB3 SER 2 2HB SER 2 31.248 16.754 -11.652 8 HG SER 2 HG SER 2 32.745 17.090 -13.183 9 H SER 3 H SER 3 28.981 19.784 -10.075 10 HA SER 3 HA SER 3 28.695 17.828 -7.903 11 HB2 SER 3 1HB SER 3 28.687 20.827 -7.682 12 HB3 SER 3 2HB SER 3 27.797 19.837 -6.525 13 HG SER 3 HG SER 3 29.958 18.669 -6.406 14 H GLY 4 H GLY 4 27.002 20.646 -9.304 15 HA2 GLY 4 1HA GLY 4 24.987 20.099 -10.668 16 HA3 GLY 4 2HA GLY 4 24.562 18.979 -9.383 17 H SER 5 H SER 5 22.673 20.720 -10.050 18 HA SER 5 HA SER 5 22.831 22.891 -8.070 19 HB2 SER 5 1HB SER 5 21.026 23.976 -9.343 20 HB3 SER 5 2HB SER 5 22.417 23.642 -10.373 21 HG SER 5 HG SER 5 20.535 23.011 -11.428 22 H SER 6 H SER 6 22.206 21.790 -6.237 23 HA SER 6 HA SER 6 20.171 19.918 -6.001 24 HB2 SER 6 1HB SER 6 20.268 20.281 -3.648 25 HB3 SER 6 2HB SER 6 21.899 20.574 -4.252 26 HG SER 6 HG SER 6 21.152 22.870 -4.349 27 H GLY 7 H GLY 7 18.143 20.346 -4.585 28 HA2 GLY 7 1HA GLY 7 16.834 22.852 -5.406 29 HA3 GLY 7 2HA GLY 7 16.062 21.314 -5.761 30 H GLU 8 H GLU 8 14.305 22.331 -4.485 31 HA GLU 8 HA GLU 8 14.643 21.652 -1.650 32 HB2 GLU 8 1HB GLU 8 13.751 24.246 -2.809 33 HB3 GLU 8 2HB GLU 8 12.939 23.677 -1.358 34 HG2 GLU 8 1HG GLU 8 15.891 24.161 -1.679 35 HG3 GLU 8 2HG GLU 8 14.752 25.165 -0.785 36 H PHE 9 H PHE 9 12.859 20.761 -0.657 37 HA PHE 9 HA PHE 9 10.755 19.863 -2.475 38 HB2 PHE 9 1HB PHE 9 11.125 18.953 0.371 39 HB3 PHE 9 2HB PHE 9 10.333 18.107 -0.955 40 HD1 PHE 9 HD2 PHE 9 13.555 19.030 0.528 41 HD2 PHE 9 HD1 PHE 9 11.595 16.849 -2.558 42 HE1 PHE 9 HE2 PHE 9 15.649 17.832 0.049 43 HE2 PHE 9 HE1 PHE 9 13.687 15.647 -3.041 44 HZ PHE 9 HZ PHE 9 15.718 16.139 -1.738 45 H ALA 10 H ALA 10 8.528 19.963 -1.885 46 HA ALA 10 HA ALA 10 7.872 22.411 -0.464 47 HB1 ALA 10 1HB ALA 10 6.592 20.739 -2.494 48 HB2 ALA 10 2HB ALA 10 5.482 21.382 -1.283 49 HB3 ALA 10 3HB ALA 10 6.491 22.479 -2.226 50 H ILE 11 H ILE 11 8.011 22.055 1.705 51 HA ILE 11 HA ILE 11 6.821 19.692 2.893 52 HB ILE 11 HB ILE 11 8.140 22.072 4.203 53 HG12 ILE 11 1HG1 ILE 11 9.316 19.321 4.045 54 HG13 ILE 11 2HG1 ILE 11 9.462 20.405 2.666 55 HG21 ILE 11 1HG2 ILE 11 8.112 19.648 5.756 56 HG22 ILE 11 2HG2 ILE 11 7.537 21.260 6.181 57 HG23 ILE 11 3HG2 ILE 11 6.472 20.139 5.332 58 HD11 ILE 11 1HD1 ILE 11 11.434 20.625 3.948 59 HD12 ILE 11 2HD1 ILE 11 10.480 22.082 4.227 60 HD13 ILE 11 3HD1 ILE 11 10.522 20.808 5.445 61 H ASP 12 H ASP 12 4.632 19.785 2.744 62 HA ASP 12 HA ASP 12 3.306 22.149 3.900 63 HB2 ASP 12 1HB ASP 12 2.183 20.136 1.939 64 HB3 ASP 12 2HB ASP 12 1.332 21.541 2.576 65 HA PRO 13 HA PRO 13 2.358 19.247 7.178 66 HB2 PRO 13 1HB PRO 13 1.202 21.089 8.803 67 HB3 PRO 13 2HB PRO 13 2.953 20.916 8.640 68 HG2 PRO 13 1HG PRO 13 1.115 22.890 7.341 69 HG3 PRO 13 2HG PRO 13 2.711 23.157 8.066 70 HD2 PRO 13 1HD PRO 13 2.344 22.936 5.392 71 HD3 PRO 13 2HD PRO 13 3.826 22.387 6.201 72 H ASN 14 H ASN 14 0.147 21.463 5.588 73 HA ASN 14 HA ASN 14 -2.211 20.179 6.645 74 HB2 ASN 14 1HB ASN 14 -3.284 21.683 4.780 75 HB3 ASN 14 2HB ASN 14 -2.635 22.420 6.242 76 HD21 ASN 14 1HD2 ASN 14 -0.627 23.487 6.141 77 HD22 ASN 14 2HD2 ASN 14 0.000 24.070 4.641 78 H GLU 15 H GLU 15 -0.626 18.282 5.449 79 HA GLU 15 HA GLU 15 -1.886 17.746 2.853 80 HB2 GLU 15 1HB GLU 15 0.658 16.866 4.146 81 HB3 GLU 15 2HB GLU 15 -0.087 15.814 2.952 82 HG2 GLU 15 1HG GLU 15 -0.152 17.979 1.501 83 HG3 GLU 15 2HG GLU 15 1.108 18.521 2.609 84 HA PRO 16 HA PRO 16 -4.537 14.847 4.932 85 HB2 PRO 16 1HB PRO 16 -5.711 13.864 2.691 86 HB3 PRO 16 2HB PRO 16 -6.128 15.436 3.383 87 HG2 PRO 16 1HG PRO 16 -4.316 14.796 1.087 88 HG3 PRO 16 2HG PRO 16 -5.525 16.085 1.233 89 HD2 PRO 16 1HD PRO 16 -2.876 16.526 1.582 90 HD3 PRO 16 2HD PRO 16 -4.120 17.436 2.463 91 H THR 17 H THR 17 -5.033 12.487 4.745 92 HA THR 17 HA THR 17 -2.653 11.016 3.817 93 HB THR 17 HB THR 17 -3.092 9.365 5.562 94 HG1 THR 17 HG1 THR 17 -5.188 11.110 6.397 95 HG21 THR 17 1HG2 THR 17 -3.120 12.131 6.768 96 HG22 THR 17 2HG2 THR 17 -1.696 11.387 6.041 97 HG23 THR 17 3HG2 THR 17 -2.438 10.664 7.468 98 H TYR 18 H TYR 18 -2.906 9.218 2.577 99 HA TYR 18 HA TYR 18 -5.666 8.444 1.893 100 HB2 TYR 18 1HB TYR 18 -3.279 8.562 0.037 101 HB3 TYR 18 2HB TYR 18 -4.887 7.994 -0.401 102 HD1 TYR 18 HD1 TYR 18 -6.729 9.565 -0.681 103 HD2 TYR 18 HD2 TYR 18 -2.824 10.925 0.317 104 HE1 TYR 18 HE1 TYR 18 -7.380 11.858 -1.288 105 HE2 TYR 18 HE2 TYR 18 -3.463 13.222 -0.286 106 HH TYR 18 HH TYR 18 -6.744 14.105 -0.940 107 H CYS 19 H CYS 19 -2.340 7.244 1.400 108 HA CYS 19 HA CYS 19 -2.767 4.593 1.116 109 HB2 CYS 19 1HB CYS 19 -0.537 5.723 1.145 110 HB3 CYS 19 2HB CYS 19 -0.610 5.730 2.904 111 H LEU 20 H LEU 20 -2.767 2.758 2.532 112 HA LEU 20 HA LEU 20 -4.638 2.892 4.593 113 HB2 LEU 20 1HB LEU 20 -2.512 0.779 4.324 114 HB3 LEU 20 2HB LEU 20 -4.104 0.616 5.062 115 HG LEU 20 HG LEU 20 -3.920 1.292 2.163 116 HD11 LEU 20 1HD1 LEU 20 -3.436 -1.426 3.361 117 HD12 LEU 20 2HD1 LEU 20 -2.385 -0.522 2.271 118 HD13 LEU 20 3HD1 LEU 20 -3.919 -1.164 1.685 119 HD21 LEU 20 1HD2 LEU 20 -5.959 0.714 3.993 120 HD22 LEU 20 2HD2 LEU 20 -5.832 -0.703 2.951 121 HD23 LEU 20 3HD2 LEU 20 -6.102 0.890 2.244 122 H CYS 21 H CYS 21 -1.123 3.044 4.676 123 HA CYS 21 HA CYS 21 -0.796 2.804 7.463 124 HB2 CYS 21 1HB CYS 21 1.427 3.738 7.107 125 HB3 CYS 21 2HB CYS 21 1.055 2.565 5.849 126 H ASN 22 H ASN 22 -2.346 5.173 5.733 127 HA ASN 22 HA ASN 22 -3.197 7.212 6.274 128 HB2 ASN 22 1HB ASN 22 -2.160 6.841 9.078 129 HB3 ASN 22 2HB ASN 22 -3.586 7.726 8.545 130 HD21 ASN 22 1HD2 ASN 22 -2.297 4.697 9.480 131 HD22 ASN 22 2HD2 ASN 22 -3.765 3.791 9.389 132 H GLN 23 H GLN 23 -0.945 7.454 4.963 133 HA GLN 23 HA GLN 23 0.550 9.541 6.407 134 HB2 GLN 23 1HB GLN 23 1.553 7.326 4.650 135 HB3 GLN 23 2HB GLN 23 2.460 8.827 4.783 136 HG2 GLN 23 1HG GLN 23 1.635 7.247 7.194 137 HG3 GLN 23 2HG GLN 23 3.126 6.916 6.315 138 HE21 GLN 23 1HE2 GLN 23 3.101 7.659 8.980 139 HE22 GLN 23 2HE2 GLN 23 3.817 9.223 9.136 140 H VAL 24 H VAL 24 1.918 10.816 4.633 141 HA VAL 24 HA VAL 24 -0.056 11.720 2.653 142 HB VAL 24 HB VAL 24 1.159 13.824 2.580 143 HG11 VAL 24 1HG1 VAL 24 0.941 13.329 5.504 144 HG12 VAL 24 2HG1 VAL 24 0.323 14.667 4.533 145 HG13 VAL 24 3HG1 VAL 24 -0.496 13.105 4.507 146 HG21 VAL 24 1HG2 VAL 24 3.140 14.270 3.717 147 HG22 VAL 24 2HG2 VAL 24 2.954 12.880 4.787 148 HG23 VAL 24 3HG2 VAL 24 3.391 12.638 3.096 149 H SER 25 H SER 25 0.491 12.014 0.502 150 HA SER 25 HA SER 25 2.139 10.181 -0.716 151 HB2 SER 25 1HB SER 25 0.488 11.312 -2.027 152 HB3 SER 25 2HB SER 25 1.204 12.887 -1.687 153 HG SER 25 HG SER 25 2.633 10.851 -3.028 154 H TYR 26 H TYR 26 4.258 9.978 -1.042 155 HA TYR 26 HA TYR 26 5.972 12.345 -0.702 156 HB2 TYR 26 1HB TYR 26 7.636 10.900 0.448 157 HB3 TYR 26 2HB TYR 26 6.135 11.071 1.351 158 HD1 TYR 26 HD1 TYR 26 7.949 8.780 -0.948 159 HD2 TYR 26 HD2 TYR 26 4.939 9.177 2.032 160 HE1 TYR 26 HE1 TYR 26 7.748 6.331 -0.834 161 HE2 TYR 26 HE2 TYR 26 4.730 6.729 2.156 162 HH TYR 26 HH TYR 26 6.165 4.644 -0.150 163 H GLY 27 H GLY 27 5.420 9.231 -2.197 164 HA2 GLY 27 1HA GLY 27 7.311 9.981 -4.312 165 HA3 GLY 27 2HA GLY 27 7.504 8.416 -3.537 166 H GLU 28 H GLU 28 7.052 7.128 -5.270 167 HA GLU 28 HA GLU 28 4.997 7.539 -7.130 168 HB2 GLU 28 1HB GLU 28 6.635 5.180 -6.301 169 HB3 GLU 28 2HB GLU 28 5.248 4.924 -7.350 170 HG2 GLU 28 1HG GLU 28 7.189 7.043 -8.089 171 HG3 GLU 28 2HG GLU 28 7.660 5.360 -8.311 172 H MET 29 H MET 29 2.866 7.332 -6.990 173 HA MET 29 HA MET 29 1.742 5.542 -4.948 174 HB2 MET 29 1HB MET 29 1.161 8.443 -5.395 175 HB3 MET 29 2HB MET 29 -0.127 7.387 -4.831 176 HG2 MET 29 1HG MET 29 1.474 6.682 -2.987 177 HG3 MET 29 2HG MET 29 2.457 8.062 -3.473 178 HE1 MET 29 1HE MET 29 -1.206 7.691 -1.063 179 HE2 MET 29 2HE MET 29 0.118 6.597 -1.463 180 HE3 MET 29 3HE MET 29 0.344 7.844 -0.236 181 H ILE 30 H ILE 30 -0.216 4.563 -5.473 182 HA ILE 30 HA ILE 30 -1.018 4.844 -8.295 183 HB ILE 30 HB ILE 30 -1.664 2.536 -8.318 184 HG12 ILE 30 1HG1 ILE 30 -2.456 2.500 -5.931 185 HG13 ILE 30 2HG1 ILE 30 -1.544 1.076 -6.418 186 HG21 ILE 30 1HG2 ILE 30 0.786 1.816 -7.100 187 HG22 ILE 30 2HG2 ILE 30 0.443 2.053 -8.813 188 HG23 ILE 30 3HG2 ILE 30 1.000 3.407 -7.830 189 HD11 ILE 30 1HD1 ILE 30 -0.996 3.014 -4.341 190 HD12 ILE 30 2HD1 ILE 30 -0.343 1.393 -4.582 191 HD13 ILE 30 3HD1 ILE 30 0.384 2.769 -5.411 192 H GLY 31 H GLY 31 -3.256 4.610 -8.805 193 HA2 GLY 31 1HA GLY 31 -5.000 5.391 -6.559 194 HA3 GLY 31 2HA GLY 31 -5.275 5.814 -8.243 195 H CYS 32 H CYS 32 -6.000 3.647 -5.756 196 HA CYS 32 HA CYS 32 -6.494 1.218 -6.812 197 HB2 CYS 32 1HB CYS 32 -7.094 1.811 -4.516 198 HB3 CYS 32 2HB CYS 32 -8.422 2.806 -5.104 199 H ASP 33 H ASP 33 -7.910 0.237 -8.183 200 HA ASP 33 HA ASP 33 -9.323 1.970 -10.031 201 HB2 ASP 33 1HB ASP 33 -7.883 -0.165 -10.562 202 HB3 ASP 33 2HB ASP 33 -9.384 -1.018 -10.212 203 H ASN 34 H ASN 34 -10.305 1.648 -7.275 204 HA ASN 34 HA ASN 34 -12.968 0.546 -7.888 205 HB2 ASN 34 1HB ASN 34 -11.796 -0.829 -6.221 206 HB3 ASN 34 2HB ASN 34 -11.561 0.593 -5.209 207 HD21 ASN 34 1HD2 ASN 34 -12.848 0.512 -3.527 208 HD22 ASN 34 2HD2 ASN 34 -14.501 0.012 -3.528 209 H GLU 35 H GLU 35 -14.150 2.309 -8.358 210 HA GLU 35 HA GLU 35 -13.884 4.896 -7.652 211 HB2 GLU 35 1HB GLU 35 -16.457 3.327 -7.856 212 HB3 GLU 35 2HB GLU 35 -16.389 5.081 -7.773 213 HG2 GLU 35 1HG GLU 35 -15.261 5.223 -9.854 214 HG3 GLU 35 2HG GLU 35 -14.991 3.482 -9.897 215 H GLN 36 H GLN 36 -15.994 2.687 -5.805 216 HA GLN 36 HA GLN 36 -16.714 4.210 -3.711 217 HB2 GLN 36 1HB GLN 36 -16.952 1.613 -4.180 218 HB3 GLN 36 2HB GLN 36 -15.637 1.516 -3.017 219 HG2 GLN 36 1HG GLN 36 -17.675 1.234 -1.835 220 HG3 GLN 36 2HG GLN 36 -17.037 2.826 -1.430 221 HE21 GLN 36 1HE2 GLN 36 -19.160 3.401 -0.771 222 HE22 GLN 36 2HE2 GLN 36 -20.356 3.840 -1.939 223 H CYS 37 H CYS 37 -13.621 2.454 -3.884 224 HA CYS 37 HA CYS 37 -12.451 3.005 -1.528 225 HB2 CYS 37 1HB CYS 37 -11.496 2.017 -3.800 226 HB3 CYS 37 2HB CYS 37 -10.798 3.628 -3.933 227 HA PRO 38 HA PRO 38 -12.919 7.504 -1.477 228 HB2 PRO 38 1HB PRO 38 -12.542 7.723 1.203 229 HB3 PRO 38 2HB PRO 38 -14.090 7.264 0.485 230 HG2 PRO 38 1HG PRO 38 -11.972 5.526 1.690 231 HG3 PRO 38 2HG PRO 38 -13.733 5.438 1.880 232 HD2 PRO 38 1HD PRO 38 -12.365 3.808 0.205 233 HD3 PRO 38 2HD PRO 38 -14.021 4.350 -0.132 234 H ILE 39 H ILE 39 -10.301 5.502 -1.163 235 HA ILE 39 HA ILE 39 -8.471 7.679 -0.420 236 HB ILE 39 HB ILE 39 -7.905 4.717 -0.589 237 HG12 ILE 39 1HG1 ILE 39 -8.162 6.448 1.876 238 HG13 ILE 39 2HG1 ILE 39 -9.464 5.441 1.255 239 HG21 ILE 39 1HG2 ILE 39 -5.989 6.289 -1.022 240 HG22 ILE 39 2HG2 ILE 39 -6.197 6.875 0.628 241 HG23 ILE 39 3HG2 ILE 39 -5.771 5.188 0.339 242 HD11 ILE 39 1HD1 ILE 39 -8.237 4.400 3.111 243 HD12 ILE 39 2HD1 ILE 39 -8.154 3.454 1.624 244 HD13 ILE 39 3HD1 ILE 39 -6.771 4.425 2.130 245 H GLU 40 H GLU 40 -8.856 5.053 -2.790 246 HA GLU 40 HA GLU 40 -7.740 4.703 -4.787 247 HB2 GLU 40 1HB GLU 40 -9.144 7.342 -4.915 248 HB3 GLU 40 2HB GLU 40 -8.199 6.806 -6.297 249 HG2 GLU 40 1HG GLU 40 -9.536 4.801 -6.479 250 HG3 GLU 40 2HG GLU 40 -10.441 5.247 -5.034 251 H TRP 41 H TRP 41 -5.908 5.567 -2.809 252 HA TRP 41 HA TRP 41 -3.774 6.450 -4.483 253 HB2 TRP 41 1HB TRP 41 -4.925 8.363 -2.457 254 HB3 TRP 41 2HB TRP 41 -3.257 8.479 -3.011 255 HD1 TRP 41 HD1 TRP 41 -6.603 9.743 -3.806 256 HE1 TRP 41 HE1 TRP 41 -6.653 10.814 -6.145 257 HE3 TRP 41 HE3 TRP 41 -2.155 7.976 -5.603 258 HZ2 TRP 41 HZ2 TRP 41 -5.023 10.898 -8.449 259 HZ3 TRP 41 HZ3 TRP 41 -1.474 8.598 -7.885 260 HH2 TRP 41 HH2 TRP 41 -2.881 10.028 -9.276 261 H PHE 42 H PHE 42 -2.189 5.168 -3.827 262 HA PHE 42 HA PHE 42 -1.526 5.040 -0.992 263 HB2 PHE 42 1HB PHE 42 -1.804 2.498 -2.597 264 HB3 PHE 42 2HB PHE 42 -1.506 2.654 -0.869 265 HD1 PHE 42 HD1 PHE 42 -4.037 3.397 -3.485 266 HD2 PHE 42 HD2 PHE 42 -3.275 2.611 0.628 267 HE1 PHE 42 HE1 PHE 42 -6.458 3.276 -3.063 268 HE2 PHE 42 HE2 PHE 42 -5.694 2.487 1.056 269 HZ PHE 42 HZ PHE 42 -7.290 2.819 -0.790 270 H HIS 43 H HIS 43 0.582 3.846 -0.664 271 HA HIS 43 HA HIS 43 2.463 4.781 -2.667 272 HB2 HIS 43 1HB HIS 43 3.027 3.432 -0.020 273 HB3 HIS 43 2HB HIS 43 4.178 4.315 -1.019 274 HD2 HIS 43 HD2 HIS 43 3.103 7.170 -1.362 275 HE1 HIS 43 HE1 HIS 43 1.851 7.106 2.691 276 HE2 HIS 43 HE2 HIS 43 2.268 8.543 0.665 277 H PHE 44 H PHE 44 4.477 3.237 -2.901 278 HA PHE 44 HA PHE 44 3.422 0.773 -4.043 279 HB2 PHE 44 1HB PHE 44 6.032 2.248 -4.324 280 HB3 PHE 44 2HB PHE 44 5.832 0.608 -4.932 281 HD1 PHE 44 HD2 PHE 44 3.500 3.510 -4.960 282 HD2 PHE 44 HD1 PHE 44 5.811 0.751 -7.233 283 HE1 PHE 44 HE2 PHE 44 2.520 4.402 -7.032 284 HE2 PHE 44 HE1 PHE 44 4.835 1.641 -9.310 285 HZ PHE 44 HZ PHE 44 3.187 3.468 -9.211 286 H SER 45 H SER 45 6.285 1.654 -2.103 287 HA SER 45 HA SER 45 7.132 -0.835 -1.363 288 HB2 SER 45 1HB SER 45 7.186 1.807 0.057 289 HB3 SER 45 2HB SER 45 7.789 0.364 0.872 290 HG SER 45 HG SER 45 9.089 0.076 -1.120 291 H CYS 46 H CYS 46 4.514 1.046 0.075 292 HA CYS 46 HA CYS 46 3.998 -0.671 2.251 293 HB2 CYS 46 1HB CYS 46 2.380 1.405 0.803 294 HB3 CYS 46 2HB CYS 46 1.646 0.421 2.065 295 H VAL 47 H VAL 47 2.448 -0.425 -0.945 296 HA VAL 47 HA VAL 47 0.924 -2.846 -0.466 297 HB VAL 47 HB VAL 47 0.002 -2.473 -2.718 298 HG11 VAL 47 1HG1 VAL 47 -0.255 0.236 -1.655 299 HG12 VAL 47 2HG1 VAL 47 -1.482 -1.009 -1.902 300 HG13 VAL 47 3HG1 VAL 47 -0.487 -1.027 -0.445 301 HG21 VAL 47 1HG2 VAL 47 0.680 -0.042 -3.586 302 HG22 VAL 47 2HG2 VAL 47 2.204 -0.494 -2.823 303 HG23 VAL 47 3HG2 VAL 47 1.524 -1.503 -4.099 304 H SER 48 H SER 48 3.838 -3.021 -0.540 305 HA SER 48 HA SER 48 5.555 -4.148 -1.568 306 HB2 SER 48 1HB SER 48 4.241 -5.955 -0.540 307 HB3 SER 48 2HB SER 48 3.273 -6.092 -2.008 308 HG SER 48 HG SER 48 5.771 -6.262 -2.772 309 H LEU 49 H LEU 49 4.841 -2.249 -3.291 310 HA LEU 49 HA LEU 49 4.656 -3.610 -5.898 311 HB2 LEU 49 1HB LEU 49 3.510 -1.084 -4.869 312 HB3 LEU 49 2HB LEU 49 4.088 -1.070 -6.534 313 HG LEU 49 HG LEU 49 2.000 -2.939 -5.413 314 HD11 LEU 49 1HD1 LEU 49 1.814 -0.249 -6.298 315 HD12 LEU 49 2HD1 LEU 49 0.519 -1.343 -5.815 316 HD13 LEU 49 3HD1 LEU 49 1.038 -1.280 -7.500 317 HD21 LEU 49 1HD2 LEU 49 2.171 -2.671 -8.294 318 HD22 LEU 49 2HD2 LEU 49 2.127 -4.124 -7.295 319 HD23 LEU 49 3HD2 LEU 49 3.661 -3.307 -7.598 320 H THR 50 H THR 50 6.114 -3.094 -7.497 321 HA THR 50 HA THR 50 8.477 -1.595 -6.597 322 HB THR 50 HB THR 50 8.307 -3.510 -8.928 323 HG1 THR 50 HG1 THR 50 8.778 -3.922 -6.187 324 HG21 THR 50 1HG2 THR 50 10.463 -1.913 -7.656 325 HG22 THR 50 2HG2 THR 50 10.235 -2.364 -9.346 326 HG23 THR 50 3HG2 THR 50 10.871 -3.541 -8.197 327 H TYR 51 H TYR 51 6.202 -1.935 -9.275 328 HA TYR 51 HA TYR 51 6.774 0.796 -10.086 329 HB2 TYR 51 1HB TYR 51 7.182 0.242 -12.412 330 HB3 TYR 51 2HB TYR 51 8.357 -0.590 -11.400 331 HD1 TYR 51 HD1 TYR 51 7.915 -3.047 -10.844 332 HD2 TYR 51 HD2 TYR 51 5.852 -0.955 -13.922 333 HE1 TYR 51 HE1 TYR 51 7.290 -5.191 -11.873 334 HE2 TYR 51 HE2 TYR 51 5.220 -3.094 -14.959 335 HH TYR 51 HH TYR 51 6.569 -6.109 -13.921 336 H LYS 52 H LYS 52 5.207 1.589 -11.700 337 HA LYS 52 HA LYS 52 2.580 1.094 -10.962 338 HB2 LYS 52 1HB LYS 52 3.651 3.050 -12.327 339 HB3 LYS 52 2HB LYS 52 3.231 2.066 -13.723 340 HG2 LYS 52 1HG LYS 52 1.478 3.634 -13.370 341 HG3 LYS 52 2HG LYS 52 0.877 2.039 -12.911 342 HD2 LYS 52 1HD LYS 52 1.273 2.555 -10.560 343 HD3 LYS 52 2HD LYS 52 1.917 4.137 -11.005 344 HE2 LYS 52 1HE LYS 52 -0.856 3.273 -11.772 345 HE3 LYS 52 2HE LYS 52 -0.512 4.023 -10.214 346 HZ1 LYS 52 1HZ LYS 52 -1.088 5.353 -12.496 347 HZ2 LYS 52 2HZ LYS 52 0.600 5.452 -12.447 348 HZ3 LYS 52 3HZ LYS 52 -0.319 6.024 -11.147 349 HA PRO 53 HA PRO 53 2.082 -2.863 -13.025 350 HB2 PRO 53 1HB PRO 53 -0.352 -3.385 -11.941 351 HB3 PRO 53 2HB PRO 53 1.163 -3.625 -11.062 352 HG2 PRO 53 1HG PRO 53 -0.766 -1.339 -10.925 353 HG3 PRO 53 2HG PRO 53 0.074 -2.175 -9.605 354 HD2 PRO 53 1HD PRO 53 0.906 0.210 -10.581 355 HD3 PRO 53 2HD PRO 53 2.031 -1.005 -9.940 356 H LYS 54 H LYS 54 1.565 -2.834 -15.117 357 HA LYS 54 HA LYS 54 -0.054 -1.038 -16.437 358 HB2 LYS 54 1HB LYS 54 1.565 -2.759 -17.412 359 HB3 LYS 54 2HB LYS 54 0.238 -3.908 -17.311 360 HG2 LYS 54 1HG LYS 54 -0.997 -2.825 -18.941 361 HG3 LYS 54 2HG LYS 54 -0.131 -1.302 -18.727 362 HD2 LYS 54 1HD LYS 54 0.635 -2.198 -20.774 363 HD3 LYS 54 2HD LYS 54 1.920 -2.508 -19.604 364 HE2 LYS 54 1HE LYS 54 1.312 -4.790 -19.408 365 HE3 LYS 54 2HE LYS 54 -0.206 -4.531 -20.266 366 HZ1 LYS 54 1HZ LYS 54 0.830 -4.483 -22.280 367 HZ2 LYS 54 2HZ LYS 54 1.865 -5.547 -21.468 368 HZ3 LYS 54 3HZ LYS 54 2.300 -3.923 -21.656 369 H GLY 55 H GLY 55 -2.164 -1.217 -17.378 370 HA2 GLY 55 1HA GLY 55 -4.386 -1.848 -17.452 371 HA3 GLY 55 2HA GLY 55 -3.966 -3.287 -16.536 372 H LYS 56 H LYS 56 -5.765 -3.114 -15.191 373 HA LYS 56 HA LYS 56 -6.033 -0.713 -13.555 374 HB2 LYS 56 1HB LYS 56 -8.138 -1.609 -12.839 375 HB3 LYS 56 2HB LYS 56 -8.033 -1.815 -14.582 376 HG2 LYS 56 1HG LYS 56 -7.227 -4.033 -12.748 377 HG3 LYS 56 2HG LYS 56 -8.927 -3.751 -13.129 378 HD2 LYS 56 1HD LYS 56 -7.950 -3.690 -15.605 379 HD3 LYS 56 2HD LYS 56 -6.718 -4.714 -14.863 380 HE2 LYS 56 1HE LYS 56 -8.387 -6.287 -14.141 381 HE3 LYS 56 2HE LYS 56 -9.685 -5.223 -14.681 382 HZ1 LYS 56 1HZ LYS 56 -9.576 -6.145 -16.674 383 HZ2 LYS 56 2HZ LYS 56 -8.354 -7.189 -16.145 384 HZ3 LYS 56 3HZ LYS 56 -7.952 -5.698 -16.835 385 H TRP 57 H TRP 57 -5.732 -0.647 -11.360 386 HA TRP 57 HA TRP 57 -4.653 -3.079 -10.098 387 HB2 TRP 57 1HB TRP 57 -2.806 -1.559 -10.587 388 HB3 TRP 57 2HB TRP 57 -3.644 -0.246 -9.765 389 HD1 TRP 57 HD1 TRP 57 -1.659 -3.436 -9.066 390 HE1 TRP 57 HE1 TRP 57 -0.973 -3.454 -6.585 391 HE3 TRP 57 HE3 TRP 57 -4.335 0.611 -7.455 392 HZ2 TRP 57 HZ2 TRP 57 -1.499 -1.952 -4.253 393 HZ3 TRP 57 HZ3 TRP 57 -4.189 1.254 -5.084 394 HH2 TRP 57 HH2 TRP 57 -2.800 -0.003 -3.518 395 H TYR 58 H TYR 58 -5.867 -3.699 -8.447 396 HA TYR 58 HA TYR 58 -7.548 -1.712 -7.093 397 HB2 TYR 58 1HB TYR 58 -7.722 -4.717 -7.296 398 HB3 TYR 58 2HB TYR 58 -8.715 -3.782 -6.185 399 HD1 TYR 58 HD2 TYR 58 -10.422 -2.228 -7.056 400 HD2 TYR 58 HD1 TYR 58 -8.179 -4.746 -9.650 401 HE1 TYR 58 HE2 TYR 58 -12.061 -1.833 -8.847 402 HE2 TYR 58 HE1 TYR 58 -9.811 -4.358 -11.448 403 HH TYR 58 HH TYR 58 -11.555 -2.297 -11.936 404 H CYS 59 H CYS 59 -6.882 -0.962 -5.205 405 HA CYS 59 HA CYS 59 -4.639 -1.646 -3.817 406 HB2 CYS 59 1HB CYS 59 -5.387 -0.275 -2.105 407 HB3 CYS 59 2HB CYS 59 -6.374 0.281 -3.452 408 HA PRO 60 HA PRO 60 -5.254 -5.470 -1.755 409 HB2 PRO 60 1HB PRO 60 -3.919 -5.056 0.572 410 HB3 PRO 60 2HB PRO 60 -3.101 -5.270 -0.980 411 HG2 PRO 60 1HG PRO 60 -3.728 -2.743 0.498 412 HG3 PRO 60 2HG PRO 60 -2.240 -3.204 -0.350 413 HD2 PRO 60 1HD PRO 60 -4.087 -1.553 -1.442 414 HD3 PRO 60 2HD PRO 60 -3.100 -2.661 -2.418 415 H LYS 61 H LYS 61 -6.474 -2.557 -0.444 416 HA LYS 61 HA LYS 61 -7.733 -3.742 1.863 417 HB2 LYS 61 1HB LYS 61 -6.999 -1.214 1.305 418 HB3 LYS 61 2HB LYS 61 -8.687 -1.135 0.816 419 HG2 LYS 61 1HG LYS 61 -9.255 -2.085 3.088 420 HG3 LYS 61 2HG LYS 61 -7.572 -1.787 3.528 421 HD2 LYS 61 1HD LYS 61 -8.600 0.150 4.253 422 HD3 LYS 61 2HD LYS 61 -8.056 0.616 2.640 423 HE2 LYS 61 1HE LYS 61 -10.437 -0.297 1.957 424 HE3 LYS 61 2HE LYS 61 -10.806 0.070 3.642 425 HZ1 LYS 61 1HZ LYS 61 -11.265 2.076 2.746 426 HZ2 LYS 61 2HZ LYS 61 -10.217 1.876 1.434 427 HZ3 LYS 61 3HZ LYS 61 -9.603 2.314 2.948 428 H CYS 62 H CYS 62 -8.541 -3.145 -1.456 429 HA CYS 62 HA CYS 62 -11.368 -3.723 -0.986 430 HB2 CYS 62 1HB CYS 62 -9.847 -2.807 -3.428 431 HB3 CYS 62 2HB CYS 62 -11.548 -3.259 -3.473 432 H ARG 63 H ARG 63 -8.636 -4.942 -2.906 433 HA ARG 63 HA ARG 63 -9.896 -7.120 -4.083 434 HB2 ARG 63 1HB ARG 63 -7.722 -8.002 -4.507 435 HB3 ARG 63 2HB ARG 63 -7.590 -6.250 -4.591 436 HG2 ARG 63 1HG ARG 63 -5.756 -6.682 -3.337 437 HG3 ARG 63 2HG ARG 63 -6.944 -6.556 -2.038 438 HD2 ARG 63 1HD ARG 63 -5.629 -8.515 -1.651 439 HD3 ARG 63 2HD ARG 63 -7.237 -9.028 -2.162 440 HE ARG 63 HE ARG 63 -5.264 -8.834 -4.271 441 HH11 ARG 63 1HH1 ARG 63 -6.841 -10.865 -1.925 442 HH12 ARG 63 2HH1 ARG 63 -6.459 -12.339 -2.752 443 HH21 ARG 63 1HH2 ARG 63 -4.755 -10.767 -5.369 444 HH22 ARG 63 2HH2 ARG 63 -5.272 -12.282 -4.710 445 H GLY 64 H GLY 64 -8.587 -6.739 -0.853 446 HA2 GLY 64 1HA GLY 64 -9.757 -9.350 -0.157 447 HA3 GLY 64 2HA GLY 64 -8.120 -8.964 0.350 448 H ASP 65 H ASP 65 -10.897 -9.388 1.684 449 HA ASP 65 HA ASP 65 -10.852 -6.955 3.342 450 HB2 ASP 65 1HB ASP 65 -13.009 -7.323 2.294 451 HB3 ASP 65 2HB ASP 65 -13.059 -8.976 2.901 452 H SER 66 H SER 66 -9.192 -7.575 4.728 453 HA SER 66 HA SER 66 -9.971 -9.144 6.961 454 HB2 SER 66 1HB SER 66 -9.177 -10.797 5.037 455 HB3 SER 66 2HB SER 66 -7.581 -10.353 5.642 456 HG SER 66 HG SER 66 -8.446 -10.935 7.771 457 H GLY 67 H GLY 67 -8.341 -9.164 8.658 458 HA2 GLY 67 1HA GLY 67 -5.880 -7.742 8.326 459 HA3 GLY 67 2HA GLY 67 -7.110 -6.744 9.087 460 HA PRO 68 HA PRO 68 -6.437 -10.415 12.144 461 HB2 PRO 68 1HB PRO 68 -4.512 -12.223 11.513 462 HB3 PRO 68 2HB PRO 68 -6.196 -12.396 11.006 463 HG2 PRO 68 1HG PRO 68 -3.847 -11.374 9.458 464 HG3 PRO 68 2HG PRO 68 -5.140 -12.470 8.936 465 HD2 PRO 68 1HD PRO 68 -5.120 -9.837 8.306 466 HD3 PRO 68 2HD PRO 68 -6.623 -10.746 8.563 467 H SER 69 H SER 69 -5.366 -9.752 13.892 468 HA SER 69 HA SER 69 -2.571 -8.871 13.579 469 HB2 SER 69 1HB SER 69 -3.057 -7.295 15.493 470 HB3 SER 69 2HB SER 69 -3.896 -6.916 13.989 471 HG SER 69 HG SER 69 -5.743 -7.308 14.925 472 H SER 70 H SER 70 -1.093 -9.566 15.051 473 HA SER 70 HA SER 70 -1.955 -10.946 17.457 474 HB2 SER 70 1HB SER 70 -0.861 -13.026 16.961 475 HB3 SER 70 2HB SER 70 -1.936 -12.664 15.611 476 HG SER 70 HG SER 70 -0.257 -12.340 14.338 477 H GLY 71 H GLY 71 -0.455 -10.891 19.076 478 HA2 GLY 71 1HA GLY 71 2.150 -10.867 19.288 479 HA3 GLY 71 2HA GLY 71 1.946 -9.302 18.516 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 25.350 1.728 9.828 2 HA2 GLY 1 1HA GLY 1 25.877 2.070 6.941 3 HA3 GLY 1 2HA GLY 1 24.348 2.457 7.716 4 H SER 2 H SER 2 24.000 4.516 8.211 5 HA SER 2 HA SER 2 26.274 6.258 8.810 6 HB2 SER 2 1HB SER 2 24.150 6.952 6.766 7 HB3 SER 2 2HB SER 2 25.476 7.994 7.282 8 HG SER 2 HG SER 2 25.480 6.152 5.368 9 H SER 3 H SER 3 25.356 8.536 9.413 10 HA SER 3 HA SER 3 23.835 8.249 11.734 11 HB2 SER 3 1HB SER 3 23.882 10.621 11.908 12 HB3 SER 3 2HB SER 3 25.388 10.170 11.108 13 HG SER 3 HG SER 3 24.681 11.686 9.781 14 H GLY 4 H GLY 4 21.702 8.444 12.217 15 HA2 GLY 4 1HA GLY 4 19.872 8.832 9.927 16 HA3 GLY 4 2HA GLY 4 19.561 7.696 11.231 17 H SER 5 H SER 5 20.278 11.163 10.801 18 HA SER 5 HA SER 5 19.044 11.965 13.209 19 HB2 SER 5 1HB SER 5 20.688 13.369 12.046 20 HB3 SER 5 2HB SER 5 19.570 13.574 10.698 21 HG SER 5 HG SER 5 18.102 14.503 12.302 22 H SER 6 H SER 6 17.919 12.587 9.880 23 HA SER 6 HA SER 6 15.285 13.245 10.703 24 HB2 SER 6 1HB SER 6 16.561 13.854 8.507 25 HB3 SER 6 2HB SER 6 15.927 12.317 7.919 26 HG SER 6 HG SER 6 14.579 14.674 8.573 27 H GLY 7 H GLY 7 13.472 12.038 10.880 28 HA2 GLY 7 1HA GLY 7 12.928 9.600 9.665 29 HA3 GLY 7 2HA GLY 7 13.715 9.229 11.192 30 H GLU 8 H GLU 8 12.644 11.393 12.696 31 HA GLU 8 HA GLU 8 10.436 10.341 13.854 32 HB2 GLU 8 1HB GLU 8 9.827 12.701 14.529 33 HB3 GLU 8 2HB GLU 8 11.474 12.205 14.891 34 HG2 GLU 8 1HG GLU 8 10.882 13.653 12.351 35 HG3 GLU 8 2HG GLU 8 11.016 14.542 13.867 36 H PHE 9 H PHE 9 8.273 10.252 13.525 37 HA PHE 9 HA PHE 9 7.253 10.477 10.925 38 HB2 PHE 9 1HB PHE 9 5.954 10.179 13.622 39 HB3 PHE 9 2HB PHE 9 4.987 10.330 12.159 40 HD1 PHE 9 HD2 PHE 9 7.445 8.241 13.928 41 HD2 PHE 9 HD1 PHE 9 4.770 8.527 10.630 42 HE1 PHE 9 HE2 PHE 9 7.692 5.827 13.523 43 HE2 PHE 9 HE1 PHE 9 5.012 6.113 10.220 44 HZ PHE 9 HZ PHE 9 6.475 4.760 11.666 45 H ALA 10 H ALA 10 6.862 12.259 9.807 46 HA ALA 10 HA ALA 10 6.780 14.848 10.898 47 HB1 ALA 10 1HB ALA 10 5.703 15.343 8.557 48 HB2 ALA 10 2HB ALA 10 7.397 14.867 8.690 49 HB3 ALA 10 3HB ALA 10 6.180 13.678 8.226 50 H ILE 11 H ILE 11 5.251 15.245 12.418 51 HA ILE 11 HA ILE 11 2.499 14.438 12.010 52 HB ILE 11 HB ILE 11 3.768 16.043 14.232 53 HG12 ILE 11 1HG1 ILE 11 2.722 13.218 14.355 54 HG13 ILE 11 2HG1 ILE 11 4.390 13.576 13.921 55 HG21 ILE 11 1HG2 ILE 11 1.640 16.694 14.573 56 HG22 ILE 11 2HG2 ILE 11 0.972 15.380 13.606 57 HG23 ILE 11 3HG2 ILE 11 1.467 15.085 15.273 58 HD11 ILE 11 1HD1 ILE 11 3.847 15.011 16.275 59 HD12 ILE 11 2HD1 ILE 11 3.203 13.384 16.502 60 HD13 ILE 11 3HD1 ILE 11 4.897 13.610 16.068 61 H ASP 12 H ASP 12 1.837 15.627 10.213 62 HA ASP 12 HA ASP 12 1.392 18.483 10.757 63 HB2 ASP 12 1HB ASP 12 1.764 18.966 8.357 64 HB3 ASP 12 2HB ASP 12 3.212 18.351 9.150 65 HA PRO 13 HA PRO 13 -2.748 16.909 10.005 66 HB2 PRO 13 1HB PRO 13 -4.006 19.154 10.869 67 HB3 PRO 13 2HB PRO 13 -3.357 17.932 11.969 68 HG2 PRO 13 1HG PRO 13 -2.168 20.548 11.128 69 HG3 PRO 13 2HG PRO 13 -2.229 19.814 12.741 70 HD2 PRO 13 1HD PRO 13 -0.016 19.727 11.184 71 HD3 PRO 13 2HD PRO 13 -0.439 18.426 12.316 72 H ASN 14 H ASN 14 -1.237 19.810 8.805 73 HA ASN 14 HA ASN 14 -3.137 20.946 7.203 74 HB2 ASN 14 1HB ASN 14 -0.257 20.485 6.398 75 HB3 ASN 14 2HB ASN 14 -1.330 21.737 5.778 76 HD21 ASN 14 1HD2 ASN 14 -0.489 23.579 6.472 77 HD22 ASN 14 2HD2 ASN 14 -0.092 23.946 8.113 78 H GLU 15 H GLU 15 -1.035 18.207 6.341 79 HA GLU 15 HA GLU 15 -2.731 17.705 3.998 80 HB2 GLU 15 1HB GLU 15 -0.144 17.904 3.892 81 HB3 GLU 15 2HB GLU 15 -0.149 16.283 4.570 82 HG2 GLU 15 1HG GLU 15 -1.114 15.353 2.684 83 HG3 GLU 15 2HG GLU 15 -1.748 16.900 2.124 84 HA PRO 16 HA PRO 16 -4.617 14.367 6.228 85 HB2 PRO 16 1HB PRO 16 -6.000 13.335 4.132 86 HB3 PRO 16 2HB PRO 16 -6.493 14.808 4.976 87 HG2 PRO 16 1HG PRO 16 -5.001 14.511 2.397 88 HG3 PRO 16 2HG PRO 16 -6.322 15.622 2.805 89 HD2 PRO 16 1HD PRO 16 -3.726 16.392 2.777 90 HD3 PRO 16 2HD PRO 16 -4.917 17.092 3.892 91 H THR 17 H THR 17 -5.033 11.930 5.655 92 HA THR 17 HA THR 17 -2.523 10.852 4.546 93 HB THR 17 HB THR 17 -2.853 8.901 6.032 94 HG1 THR 17 HG1 THR 17 -4.455 9.043 7.653 95 HG21 THR 17 1HG2 THR 17 -2.828 11.552 7.481 96 HG22 THR 17 2HG2 THR 17 -1.428 10.760 6.756 97 HG23 THR 17 3HG2 THR 17 -2.251 10.016 8.126 98 H TYR 18 H TYR 18 -2.610 8.945 3.314 99 HA TYR 18 HA TYR 18 -5.285 8.101 2.434 100 HB2 TYR 18 1HB TYR 18 -2.930 8.682 0.625 101 HB3 TYR 18 2HB TYR 18 -4.460 7.983 0.107 102 HD1 TYR 18 HD2 TYR 18 -2.895 11.032 1.506 103 HD2 TYR 18 HD1 TYR 18 -6.334 9.354 -0.355 104 HE1 TYR 18 HE2 TYR 18 -3.800 13.291 1.155 105 HE2 TYR 18 HE1 TYR 18 -7.248 11.609 -0.712 106 HH TYR 18 HH TYR 18 -6.592 14.117 0.773 107 H CYS 19 H CYS 19 -1.862 7.291 1.824 108 HA CYS 19 HA CYS 19 -2.025 4.665 1.230 109 HB2 CYS 19 1HB CYS 19 0.072 6.078 1.494 110 HB3 CYS 19 2HB CYS 19 0.014 5.682 3.209 111 H LEU 20 H LEU 20 -1.630 2.701 2.523 112 HA LEU 20 HA LEU 20 -3.590 2.367 4.508 113 HB2 LEU 20 1HB LEU 20 -1.201 0.639 3.880 114 HB3 LEU 20 2HB LEU 20 -2.584 0.152 4.857 115 HG LEU 20 HG LEU 20 -3.077 1.048 2.061 116 HD11 LEU 20 1HD1 LEU 20 -1.094 -0.561 2.108 117 HD12 LEU 20 2HD1 LEU 20 -2.465 -0.987 1.085 118 HD13 LEU 20 3HD1 LEU 20 -2.252 -1.776 2.647 119 HD21 LEU 20 1HD2 LEU 20 -5.098 0.332 2.628 120 HD22 LEU 20 2HD2 LEU 20 -4.496 -0.252 4.180 121 HD23 LEU 20 3HD2 LEU 20 -4.450 -1.304 2.763 122 H CYS 21 H CYS 21 -0.214 3.207 4.678 123 HA CYS 21 HA CYS 21 0.031 2.712 7.500 124 HB2 CYS 21 1HB CYS 21 2.238 3.700 7.290 125 HB3 CYS 21 2HB CYS 21 1.968 2.582 5.958 126 H ASN 22 H ASN 22 -1.879 4.786 6.090 127 HA ASN 22 HA ASN 22 -2.731 6.859 6.521 128 HB2 ASN 22 1HB ASN 22 -2.999 7.390 8.898 129 HB3 ASN 22 2HB ASN 22 -3.321 5.685 8.600 130 HD21 ASN 22 1HD2 ASN 22 -1.956 4.142 9.426 131 HD22 ASN 22 2HD2 ASN 22 -0.727 4.502 10.586 132 H GLN 23 H GLN 23 -0.461 7.284 5.293 133 HA GLN 23 HA GLN 23 0.880 9.387 6.861 134 HB2 GLN 23 1HB GLN 23 2.034 7.397 4.921 135 HB3 GLN 23 2HB GLN 23 2.861 8.904 5.290 136 HG2 GLN 23 1HG GLN 23 2.024 6.951 7.410 137 HG3 GLN 23 2HG GLN 23 3.584 6.873 6.594 138 HE21 GLN 23 1HE2 GLN 23 5.086 8.539 6.922 139 HE22 GLN 23 2HE2 GLN 23 4.981 9.594 8.286 140 H VAL 24 H VAL 24 1.914 11.077 5.456 141 HA VAL 24 HA VAL 24 -0.033 11.959 3.496 142 HB VAL 24 HB VAL 24 1.221 14.064 3.471 143 HG11 VAL 24 1HG1 VAL 24 0.643 14.797 5.644 144 HG12 VAL 24 2HG1 VAL 24 -0.490 13.502 5.250 145 HG13 VAL 24 3HG1 VAL 24 0.871 13.187 6.327 146 HG21 VAL 24 1HG2 VAL 24 3.063 12.772 5.478 147 HG22 VAL 24 2HG2 VAL 24 3.465 13.044 3.783 148 HG23 VAL 24 3HG2 VAL 24 3.162 14.416 4.848 149 H SER 25 H SER 25 0.268 12.115 1.337 150 HA SER 25 HA SER 25 1.896 10.471 -0.074 151 HB2 SER 25 1HB SER 25 0.148 11.617 -1.225 152 HB3 SER 25 2HB SER 25 0.841 13.194 -0.848 153 HG SER 25 HG SER 25 1.250 11.795 -3.002 154 H TYR 26 H TYR 26 3.988 10.325 -0.567 155 HA TYR 26 HA TYR 26 5.683 12.709 -0.299 156 HB2 TYR 26 1HB TYR 26 7.427 11.327 0.791 157 HB3 TYR 26 2HB TYR 26 5.965 11.459 1.763 158 HD1 TYR 26 HD1 TYR 26 7.632 9.205 -0.697 159 HD2 TYR 26 HD2 TYR 26 4.971 9.534 2.606 160 HE1 TYR 26 HE1 TYR 26 7.513 6.753 -0.557 161 HE2 TYR 26 HE2 TYR 26 4.845 7.083 2.756 162 HH TYR 26 HH TYR 26 6.935 5.055 1.524 163 H GLY 27 H GLY 27 5.211 9.489 -1.634 164 HA2 GLY 27 1HA GLY 27 7.096 10.206 -3.792 165 HA3 GLY 27 2HA GLY 27 7.052 8.589 -3.105 166 H GLU 28 H GLU 28 6.743 8.089 -5.454 167 HA GLU 28 HA GLU 28 4.433 8.768 -6.868 168 HB2 GLU 28 1HB GLU 28 4.912 6.847 -8.280 169 HB3 GLU 28 2HB GLU 28 6.401 7.695 -7.889 170 HG2 GLU 28 1HG GLU 28 5.603 5.429 -6.153 171 HG3 GLU 28 2HG GLU 28 6.204 5.065 -7.769 172 H MET 29 H MET 29 2.401 7.927 -6.999 173 HA MET 29 HA MET 29 1.735 5.639 -5.290 174 HB2 MET 29 1HB MET 29 0.173 8.227 -5.351 175 HB3 MET 29 2HB MET 29 -0.253 6.784 -4.441 176 HG2 MET 29 1HG MET 29 1.503 7.067 -2.936 177 HG3 MET 29 2HG MET 29 2.356 8.181 -4.003 178 HE1 MET 29 1HE MET 29 -1.294 8.625 -1.530 179 HE2 MET 29 2HE MET 29 -0.056 7.369 -1.537 180 HE3 MET 29 3HE MET 29 0.143 8.797 -0.521 181 H ILE 30 H ILE 30 -0.549 4.864 -5.745 182 HA ILE 30 HA ILE 30 -1.226 5.256 -8.585 183 HB ILE 30 HB ILE 30 -1.627 2.952 -8.914 184 HG12 ILE 30 1HG1 ILE 30 -2.736 2.371 -6.861 185 HG13 ILE 30 2HG1 ILE 30 -1.358 1.292 -7.050 186 HG21 ILE 30 1HG2 ILE 30 0.841 2.794 -7.240 187 HG22 ILE 30 2HG2 ILE 30 0.511 2.089 -8.821 188 HG23 ILE 30 3HG2 ILE 30 0.813 3.820 -8.674 189 HD11 ILE 30 1HD1 ILE 30 -1.233 1.864 -4.830 190 HD12 ILE 30 2HD1 ILE 30 -0.134 3.032 -5.565 191 HD13 ILE 30 3HD1 ILE 30 -1.768 3.520 -5.115 192 H GLY 31 H GLY 31 -3.456 4.753 -9.141 193 HA2 GLY 31 1HA GLY 31 -5.256 5.349 -6.885 194 HA3 GLY 31 2HA GLY 31 -5.582 5.734 -8.568 195 H CYS 32 H CYS 32 -5.769 3.343 -6.090 196 HA CYS 32 HA CYS 32 -6.134 0.953 -7.205 197 HB2 CYS 32 1HB CYS 32 -6.639 1.078 -4.922 198 HB3 CYS 32 2HB CYS 32 -7.827 2.356 -5.158 199 H ASP 33 H ASP 33 -7.095 0.228 -8.972 200 HA ASP 33 HA ASP 33 -8.586 1.464 -10.796 201 HB2 ASP 33 1HB ASP 33 -7.969 -0.791 -11.214 202 HB3 ASP 33 2HB ASP 33 -8.884 -1.376 -9.827 203 H ASN 34 H ASN 34 -9.883 0.101 -7.806 204 HA ASN 34 HA ASN 34 -12.606 0.620 -8.377 205 HB2 ASN 34 1HB ASN 34 -11.719 -0.958 -6.613 206 HB3 ASN 34 2HB ASN 34 -11.353 0.458 -5.633 207 HD21 ASN 34 1HD2 ASN 34 -12.768 0.258 -4.014 208 HD22 ASN 34 2HD2 ASN 34 -14.484 0.191 -4.204 209 H GLU 35 H GLU 35 -13.138 2.656 -8.956 210 HA GLU 35 HA GLU 35 -12.007 5.027 -8.080 211 HB2 GLU 35 1HB GLU 35 -14.679 4.320 -9.228 212 HB3 GLU 35 2HB GLU 35 -14.401 5.954 -8.640 213 HG2 GLU 35 1HG GLU 35 -12.480 6.156 -10.152 214 HG3 GLU 35 2HG GLU 35 -12.808 4.536 -10.764 215 H GLN 36 H GLN 36 -15.027 3.536 -6.902 216 HA GLN 36 HA GLN 36 -15.824 5.226 -4.973 217 HB2 GLN 36 1HB GLN 36 -15.778 2.249 -5.103 218 HB3 GLN 36 2HB GLN 36 -16.237 3.000 -3.581 219 HG2 GLN 36 1HG GLN 36 -18.182 3.837 -4.414 220 HG3 GLN 36 2HG GLN 36 -17.553 3.967 -6.056 221 HE21 GLN 36 1HE2 GLN 36 -19.785 3.027 -6.373 222 HE22 GLN 36 2HE2 GLN 36 -19.898 1.304 -6.422 223 H CYS 37 H CYS 37 -13.076 3.027 -4.729 224 HA CYS 37 HA CYS 37 -12.373 3.052 -2.137 225 HB2 CYS 37 1HB CYS 37 -11.063 2.266 -4.274 226 HB3 CYS 37 2HB CYS 37 -10.243 3.814 -4.101 227 HA PRO 38 HA PRO 38 -12.301 7.395 -1.099 228 HB2 PRO 38 1HB PRO 38 -11.752 7.022 1.533 229 HB3 PRO 38 2HB PRO 38 -13.365 6.795 0.847 230 HG2 PRO 38 1HG PRO 38 -11.283 4.749 1.508 231 HG3 PRO 38 2HG PRO 38 -13.031 4.700 1.799 232 HD2 PRO 38 1HD PRO 38 -11.862 3.405 -0.272 233 HD3 PRO 38 2HD PRO 38 -13.502 4.079 -0.370 234 H ILE 39 H ILE 39 -9.771 5.090 -0.913 235 HA ILE 39 HA ILE 39 -7.796 7.079 -0.081 236 HB ILE 39 HB ILE 39 -7.392 4.149 -0.691 237 HG12 ILE 39 1HG1 ILE 39 -7.530 5.472 2.021 238 HG13 ILE 39 2HG1 ILE 39 -8.912 4.686 1.265 239 HG21 ILE 39 1HG2 ILE 39 -5.268 4.930 -0.845 240 HG22 ILE 39 2HG2 ILE 39 -5.603 6.355 0.137 241 HG23 ILE 39 3HG2 ILE 39 -5.355 4.789 0.911 242 HD11 ILE 39 1HD1 ILE 39 -7.775 2.570 1.284 243 HD12 ILE 39 2HD1 ILE 39 -6.305 3.328 1.897 244 HD13 ILE 39 3HD1 ILE 39 -7.750 3.265 2.905 245 H GLU 40 H GLU 40 -8.237 4.731 -2.731 246 HA GLU 40 HA GLU 40 -7.155 4.623 -4.773 247 HB2 GLU 40 1HB GLU 40 -9.219 6.272 -4.814 248 HB3 GLU 40 2HB GLU 40 -7.975 7.472 -5.136 249 HG2 GLU 40 1HG GLU 40 -8.520 6.897 -7.263 250 HG3 GLU 40 2HG GLU 40 -7.234 5.730 -6.961 251 H TRP 41 H TRP 41 -5.376 5.480 -2.651 252 HA TRP 41 HA TRP 41 -3.256 6.507 -4.279 253 HB2 TRP 41 1HB TRP 41 -4.338 8.230 -2.041 254 HB3 TRP 41 2HB TRP 41 -2.791 8.493 -2.843 255 HD1 TRP 41 HD1 TRP 41 -6.222 9.673 -2.972 256 HE1 TRP 41 HE1 TRP 41 -6.745 10.814 -5.219 257 HE3 TRP 41 HE3 TRP 41 -2.194 8.044 -5.665 258 HZ2 TRP 41 HZ2 TRP 41 -5.601 10.999 -7.793 259 HZ3 TRP 41 HZ3 TRP 41 -1.982 8.748 -8.014 260 HH2 TRP 41 HH2 TRP 41 -3.652 10.194 -9.054 261 H PHE 42 H PHE 42 -1.603 5.279 -3.694 262 HA PHE 42 HA PHE 42 -0.964 4.968 -0.869 263 HB2 PHE 42 1HB PHE 42 -1.237 2.583 -2.710 264 HB3 PHE 42 2HB PHE 42 -0.722 2.545 -1.027 265 HD1 PHE 42 HD1 PHE 42 -3.574 3.143 -3.276 266 HD2 PHE 42 HD2 PHE 42 -2.296 2.597 0.747 267 HE1 PHE 42 HE1 PHE 42 -5.916 2.873 -2.573 268 HE2 PHE 42 HE2 PHE 42 -4.636 2.325 1.457 269 HZ PHE 42 HZ PHE 42 -6.450 2.462 -0.204 270 H HIS 43 H HIS 43 1.216 4.282 -0.485 271 HA HIS 43 HA HIS 43 3.040 5.284 -2.465 272 HB2 HIS 43 1HB HIS 43 3.660 3.924 0.164 273 HB3 HIS 43 2HB HIS 43 4.765 4.902 -0.798 274 HD2 HIS 43 HD2 HIS 43 3.281 7.641 -1.180 275 HE1 HIS 43 HE1 HIS 43 2.343 7.490 2.955 276 HE2 HIS 43 HE2 HIS 43 2.431 8.934 0.893 277 H PHE 44 H PHE 44 4.360 4.175 -3.802 278 HA PHE 44 HA PHE 44 3.764 1.587 -4.595 279 HB2 PHE 44 1HB PHE 44 6.101 3.402 -5.022 280 HB3 PHE 44 2HB PHE 44 6.229 1.722 -5.535 281 HD1 PHE 44 HD2 PHE 44 3.466 4.227 -5.661 282 HD2 PHE 44 HD1 PHE 44 6.007 1.573 -7.811 283 HE1 PHE 44 HE2 PHE 44 2.274 4.777 -7.742 284 HE2 PHE 44 HE1 PHE 44 4.819 2.120 -9.895 285 HZ PHE 44 HZ PHE 44 2.949 3.722 -9.863 286 H SER 45 H SER 45 6.646 2.622 -2.761 287 HA SER 45 HA SER 45 7.759 0.177 -2.235 288 HB2 SER 45 1HB SER 45 7.664 2.716 -0.629 289 HB3 SER 45 2HB SER 45 8.487 1.290 0.003 290 HG SER 45 HG SER 45 9.102 1.956 -2.607 291 H CYS 46 H CYS 46 5.208 1.799 -0.376 292 HA CYS 46 HA CYS 46 4.952 -0.103 1.658 293 HB2 CYS 46 1HB CYS 46 3.176 2.003 0.508 294 HB3 CYS 46 2HB CYS 46 2.463 0.815 1.593 295 H VAL 47 H VAL 47 3.162 0.201 -1.402 296 HA VAL 47 HA VAL 47 1.808 -2.318 -0.971 297 HB VAL 47 HB VAL 47 0.789 -1.924 -3.172 298 HG11 VAL 47 1HG1 VAL 47 -0.437 0.130 -2.594 299 HG12 VAL 47 2HG1 VAL 47 -0.262 -0.955 -1.214 300 HG13 VAL 47 3HG1 VAL 47 0.759 0.477 -1.347 301 HG21 VAL 47 1HG2 VAL 47 2.746 0.349 -3.243 302 HG22 VAL 47 2HG2 VAL 47 2.448 -0.893 -4.459 303 HG23 VAL 47 3HG2 VAL 47 1.261 0.383 -4.193 304 H SER 48 H SER 48 4.808 -2.105 -1.319 305 HA SER 48 HA SER 48 6.515 -3.167 -2.402 306 HB2 SER 48 1HB SER 48 5.279 -5.065 -1.337 307 HB3 SER 48 2HB SER 48 4.413 -5.297 -2.856 308 HG SER 48 HG SER 48 7.239 -5.349 -2.642 309 H LEU 49 H LEU 49 5.702 -1.307 -4.051 310 HA LEU 49 HA LEU 49 5.459 -2.636 -6.670 311 HB2 LEU 49 1HB LEU 49 4.174 -0.182 -5.582 312 HB3 LEU 49 2HB LEU 49 4.576 -0.229 -7.297 313 HG LEU 49 HG LEU 49 2.811 -2.233 -5.894 314 HD11 LEU 49 1HD1 LEU 49 1.485 -0.600 -7.839 315 HD12 LEU 49 2HD1 LEU 49 2.228 0.416 -6.604 316 HD13 LEU 49 3HD1 LEU 49 1.095 -0.852 -6.138 317 HD21 LEU 49 1HD2 LEU 49 3.883 -3.176 -7.832 318 HD22 LEU 49 2HD2 LEU 49 3.459 -1.766 -8.802 319 HD23 LEU 49 3HD2 LEU 49 2.193 -2.845 -8.213 320 H THR 50 H THR 50 6.811 -1.984 -8.300 321 HA THR 50 HA THR 50 9.004 -0.197 -7.492 322 HB THR 50 HB THR 50 8.979 -2.326 -9.640 323 HG1 THR 50 HG1 THR 50 10.060 -2.226 -7.012 324 HG21 THR 50 1HG2 THR 50 11.032 -1.659 -10.304 325 HG22 THR 50 2HG2 THR 50 11.527 -1.214 -8.671 326 HG23 THR 50 3HG2 THR 50 10.539 -0.108 -9.626 327 H TYR 51 H TYR 51 6.731 -0.917 -10.089 328 HA TYR 51 HA TYR 51 6.967 1.818 -11.036 329 HB2 TYR 51 1HB TYR 51 7.299 1.126 -13.386 330 HB3 TYR 51 2HB TYR 51 8.664 0.688 -12.365 331 HD1 TYR 51 HD1 TYR 51 8.820 -1.719 -11.546 332 HD2 TYR 51 HD2 TYR 51 6.180 -0.501 -14.652 333 HE1 TYR 51 HE1 TYR 51 8.641 -4.053 -12.301 334 HE2 TYR 51 HE2 TYR 51 5.993 -2.831 -15.415 335 HH TYR 51 HH TYR 51 7.116 -4.906 -15.285 336 H LYS 52 H LYS 52 5.173 2.532 -12.207 337 HA LYS 52 HA LYS 52 2.694 1.718 -11.512 338 HB2 LYS 52 1HB LYS 52 3.581 3.667 -13.104 339 HB3 LYS 52 2HB LYS 52 2.987 2.575 -14.348 340 HG2 LYS 52 1HG LYS 52 1.328 3.535 -12.029 341 HG3 LYS 52 2HG LYS 52 1.357 4.309 -13.615 342 HD2 LYS 52 1HD LYS 52 0.261 2.563 -14.636 343 HD3 LYS 52 2HD LYS 52 0.818 1.380 -13.449 344 HE2 LYS 52 1HE LYS 52 -0.788 2.013 -11.887 345 HE3 LYS 52 2HE LYS 52 -1.060 3.575 -12.658 346 HZ1 LYS 52 1HZ LYS 52 -2.651 2.710 -13.913 347 HZ2 LYS 52 2HZ LYS 52 -2.551 1.294 -12.994 348 HZ3 LYS 52 3HZ LYS 52 -1.665 1.435 -14.428 349 HA PRO 53 HA PRO 53 2.522 -2.361 -13.373 350 HB2 PRO 53 1HB PRO 53 0.188 -3.066 -12.178 351 HB3 PRO 53 2HB PRO 53 1.746 -3.109 -11.344 352 HG2 PRO 53 1HG PRO 53 -0.397 -1.022 -11.245 353 HG3 PRO 53 2HG PRO 53 0.563 -1.703 -9.919 354 HD2 PRO 53 1HD PRO 53 1.120 0.700 -11.036 355 HD3 PRO 53 2HD PRO 53 2.381 -0.363 -10.380 356 H LYS 54 H LYS 54 1.779 -2.789 -15.347 357 HA LYS 54 HA LYS 54 -0.084 -1.131 -16.678 358 HB2 LYS 54 1HB LYS 54 1.815 -2.698 -17.598 359 HB3 LYS 54 2HB LYS 54 0.530 -3.898 -17.642 360 HG2 LYS 54 1HG LYS 54 0.588 -2.955 -19.787 361 HG3 LYS 54 2HG LYS 54 -0.804 -2.219 -18.989 362 HD2 LYS 54 1HD LYS 54 0.749 -0.304 -18.377 363 HD3 LYS 54 2HD LYS 54 1.901 -1.008 -19.515 364 HE2 LYS 54 1HE LYS 54 -0.046 -0.939 -21.196 365 HE3 LYS 54 2HE LYS 54 -0.805 0.170 -20.055 366 HZ1 LYS 54 1HZ LYS 54 0.341 1.750 -21.092 367 HZ2 LYS 54 2HZ LYS 54 1.330 0.642 -21.901 368 HZ3 LYS 54 3HZ LYS 54 1.724 1.140 -20.333 369 H GLY 55 H GLY 55 -2.145 -1.736 -17.586 370 HA2 GLY 55 1HA GLY 55 -4.158 -2.919 -17.643 371 HA3 GLY 55 2HA GLY 55 -3.505 -4.041 -16.458 372 H LYS 56 H LYS 56 -4.075 -3.825 -14.372 373 HA LYS 56 HA LYS 56 -5.124 -1.304 -13.385 374 HB2 LYS 56 1HB LYS 56 -7.240 -2.198 -12.659 375 HB3 LYS 56 2HB LYS 56 -7.079 -2.473 -14.388 376 HG2 LYS 56 1HG LYS 56 -6.278 -4.611 -12.465 377 HG3 LYS 56 2HG LYS 56 -7.982 -4.358 -12.852 378 HD2 LYS 56 1HD LYS 56 -6.025 -4.547 -15.090 379 HD3 LYS 56 2HD LYS 56 -6.490 -6.027 -14.248 380 HE2 LYS 56 1HE LYS 56 -8.881 -5.394 -14.650 381 HE3 LYS 56 2HE LYS 56 -8.298 -4.076 -15.665 382 HZ1 LYS 56 1HZ LYS 56 -7.598 -5.503 -17.282 383 HZ2 LYS 56 2HZ LYS 56 -8.917 -6.381 -16.689 384 HZ3 LYS 56 3HZ LYS 56 -7.346 -6.793 -16.217 385 H TRP 57 H TRP 57 -5.182 -1.168 -11.110 386 HA TRP 57 HA TRP 57 -3.945 -3.425 -9.683 387 HB2 TRP 57 1HB TRP 57 -2.216 -1.753 -10.078 388 HB3 TRP 57 2HB TRP 57 -3.242 -0.496 -9.394 389 HD1 TRP 57 HD1 TRP 57 -1.054 -3.461 -8.371 390 HE1 TRP 57 HE1 TRP 57 -0.585 -3.306 -5.845 391 HE3 TRP 57 HE3 TRP 57 -4.189 0.404 -7.201 392 HZ2 TRP 57 HZ2 TRP 57 -1.433 -1.751 -3.647 393 HZ3 TRP 57 HZ3 TRP 57 -4.301 1.164 -4.863 394 HH2 TRP 57 HH2 TRP 57 -2.952 0.108 -3.125 395 H TYR 58 H TYR 58 -5.201 -4.104 -8.088 396 HA TYR 58 HA TYR 58 -7.164 -2.245 -6.941 397 HB2 TYR 58 1HB TYR 58 -7.087 -5.239 -7.201 398 HB3 TYR 58 2HB TYR 58 -8.154 -4.459 -6.040 399 HD1 TYR 58 HD2 TYR 58 -10.009 -3.042 -6.815 400 HD2 TYR 58 HD1 TYR 58 -7.534 -5.147 -9.561 401 HE1 TYR 58 HE2 TYR 58 -11.683 -2.693 -8.582 402 HE2 TYR 58 HE1 TYR 58 -9.201 -4.803 -11.337 403 HH TYR 58 HH TYR 58 -11.930 -4.360 -11.238 404 H CYS 59 H CYS 59 -6.625 -1.368 -5.065 405 HA CYS 59 HA CYS 59 -4.477 -1.928 -3.479 406 HB2 CYS 59 1HB CYS 59 -5.452 -0.581 -1.808 407 HB3 CYS 59 2HB CYS 59 -6.131 0.020 -3.317 408 HA PRO 60 HA PRO 60 -5.191 -5.684 -1.322 409 HB2 PRO 60 1HB PRO 60 -3.946 -5.175 1.036 410 HB3 PRO 60 2HB PRO 60 -3.068 -5.457 -0.472 411 HG2 PRO 60 1HG PRO 60 -3.741 -2.868 0.871 412 HG3 PRO 60 2HG PRO 60 -2.223 -3.369 0.103 413 HD2 PRO 60 1HD PRO 60 -4.020 -1.761 -1.130 414 HD3 PRO 60 2HD PRO 60 -3.000 -2.912 -2.018 415 H LYS 61 H LYS 61 -6.755 -2.881 -0.541 416 HA LYS 61 HA LYS 61 -8.044 -3.946 1.862 417 HB2 LYS 61 1HB LYS 61 -7.760 -1.250 0.645 418 HB3 LYS 61 2HB LYS 61 -9.237 -1.568 1.545 419 HG2 LYS 61 1HG LYS 61 -7.543 -2.452 3.356 420 HG3 LYS 61 2HG LYS 61 -6.431 -1.380 2.502 421 HD2 LYS 61 1HD LYS 61 -7.286 0.086 4.035 422 HD3 LYS 61 2HD LYS 61 -8.447 0.313 2.725 423 HE2 LYS 61 1HE LYS 61 -9.708 0.078 4.718 424 HE3 LYS 61 2HE LYS 61 -9.873 -1.439 3.835 425 HZ1 LYS 61 1HZ LYS 61 -8.515 -0.895 6.357 426 HZ2 LYS 61 2HZ LYS 61 -7.789 -2.030 5.334 427 HZ3 LYS 61 3HZ LYS 61 -9.378 -2.265 5.865 428 H CYS 62 H CYS 62 -8.603 -3.357 -1.507 429 HA CYS 62 HA CYS 62 -11.472 -3.839 -1.235 430 HB2 CYS 62 1HB CYS 62 -9.768 -3.072 -3.611 431 HB3 CYS 62 2HB CYS 62 -11.499 -3.379 -3.704 432 H ARG 63 H ARG 63 -8.630 -5.205 -2.865 433 HA ARG 63 HA ARG 63 -9.860 -7.348 -4.137 434 HB2 ARG 63 1HB ARG 63 -7.645 -8.418 -4.126 435 HB3 ARG 63 2HB ARG 63 -7.548 -6.721 -4.577 436 HG2 ARG 63 1HG ARG 63 -5.806 -6.820 -3.128 437 HG3 ARG 63 2HG ARG 63 -7.096 -6.432 -1.989 438 HD2 ARG 63 1HD ARG 63 -5.930 -8.198 -0.984 439 HD3 ARG 63 2HD ARG 63 -7.359 -8.951 -1.691 440 HE ARG 63 HE ARG 63 -5.068 -8.989 -3.422 441 HH11 ARG 63 1HH1 ARG 63 -6.711 -10.617 -0.819 442 HH12 ARG 63 2HH1 ARG 63 -6.010 -12.162 -1.170 443 HH21 ARG 63 1HH2 ARG 63 -4.139 -11.019 -3.893 444 HH22 ARG 63 2HH2 ARG 63 -4.547 -12.389 -2.917 445 H GLY 64 H GLY 64 -9.015 -6.905 -0.786 446 HA2 GLY 64 1HA GLY 64 -9.859 -9.679 -0.228 447 HA3 GLY 64 2HA GLY 64 -8.782 -8.744 0.799 448 H ASP 65 H ASP 65 -11.194 -10.085 1.595 449 HA ASP 65 HA ASP 65 -12.995 -7.843 2.188 450 HB2 ASP 65 1HB ASP 65 -13.473 -10.803 2.583 451 HB3 ASP 65 2HB ASP 65 -14.661 -9.516 2.764 452 H SER 66 H SER 66 -10.581 -7.846 3.546 453 HA SER 66 HA SER 66 -11.016 -9.031 6.161 454 HB2 SER 66 1HB SER 66 -8.763 -7.344 5.051 455 HB3 SER 66 2HB SER 66 -8.799 -7.983 6.694 456 HG SER 66 HG SER 66 -7.865 -9.196 4.616 457 H GLY 67 H GLY 67 -12.760 -7.955 7.046 458 HA2 GLY 67 1HA GLY 67 -12.167 -5.365 8.175 459 HA3 GLY 67 2HA GLY 67 -13.471 -5.340 6.997 460 HA PRO 68 HA PRO 68 -16.411 -6.732 9.933 461 HB2 PRO 68 1HB PRO 68 -17.709 -8.792 8.730 462 HB3 PRO 68 2HB PRO 68 -17.904 -7.108 8.227 463 HG2 PRO 68 1HG PRO 68 -16.196 -9.257 7.031 464 HG3 PRO 68 2HG PRO 68 -17.215 -8.055 6.217 465 HD2 PRO 68 1HD PRO 68 -14.531 -7.777 6.444 466 HD3 PRO 68 2HD PRO 68 -15.637 -6.388 6.432 467 H SER 69 H SER 69 -16.158 -7.801 11.784 468 HA SER 69 HA SER 69 -15.127 -10.555 11.706 469 HB2 SER 69 1HB SER 69 -13.246 -9.259 12.400 470 HB3 SER 69 2HB SER 69 -14.230 -8.298 13.503 471 HG SER 69 HG SER 69 -14.238 -11.036 13.932 472 H SER 70 H SER 70 -16.738 -11.798 12.389 473 HA SER 70 HA SER 70 -18.293 -10.906 14.730 474 HB2 SER 70 1HB SER 70 -19.218 -12.514 12.340 475 HB3 SER 70 2HB SER 70 -20.175 -12.284 13.803 476 HG SER 70 HG SER 70 -19.406 -9.896 13.089 477 H GLY 71 H GLY 71 -17.487 -12.007 16.410 478 HA2 GLY 71 1HA GLY 71 -16.967 -13.785 17.767 479 HA3 GLY 71 2HA GLY 71 -17.893 -14.785 16.658 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 8.701 19.332 -27.819 2 HA2 GLY 1 1HA GLY 1 8.983 16.672 -26.690 3 HA3 GLY 1 2HA GLY 1 10.284 17.167 -27.763 4 H SER 2 H SER 2 8.561 18.022 -24.799 5 HA SER 2 HA SER 2 10.945 18.656 -23.417 6 HB2 SER 2 1HB SER 2 10.712 20.679 -24.916 7 HB3 SER 2 2HB SER 2 9.226 21.062 -24.047 8 HG SER 2 HG SER 2 10.421 21.909 -22.557 9 H SER 3 H SER 3 10.610 18.900 -21.217 10 HA SER 3 HA SER 3 8.028 19.397 -20.098 11 HB2 SER 3 1HB SER 3 8.975 16.592 -20.442 12 HB3 SER 3 2HB SER 3 8.182 17.005 -18.923 13 HG SER 3 HG SER 3 7.070 17.607 -21.457 14 H GLY 4 H GLY 4 8.078 18.918 -17.651 15 HA2 GLY 4 1HA GLY 4 9.494 18.607 -15.700 16 HA3 GLY 4 2HA GLY 4 10.817 19.307 -16.622 17 H SER 5 H SER 5 9.108 19.952 -14.061 18 HA SER 5 HA SER 5 9.189 22.840 -14.516 19 HB2 SER 5 1HB SER 5 7.004 23.234 -13.647 20 HB3 SER 5 2HB SER 5 6.825 21.966 -14.859 21 HG SER 5 HG SER 5 5.949 20.853 -13.318 22 H SER 6 H SER 6 8.813 24.016 -12.359 23 HA SER 6 HA SER 6 10.821 23.382 -10.583 24 HB2 SER 6 1HB SER 6 9.756 24.961 -9.023 25 HB3 SER 6 2HB SER 6 9.745 25.590 -10.671 26 HG SER 6 HG SER 6 7.686 25.820 -10.311 27 H GLY 7 H GLY 7 10.352 23.056 -8.114 28 HA2 GLY 7 1HA GLY 7 8.292 21.666 -7.026 29 HA3 GLY 7 2HA GLY 7 9.190 20.425 -7.888 30 H GLU 8 H GLU 8 9.151 22.578 -5.168 31 HA GLU 8 HA GLU 8 11.608 21.296 -4.163 32 HB2 GLU 8 1HB GLU 8 12.150 23.280 -2.964 33 HB3 GLU 8 2HB GLU 8 11.760 23.771 -4.606 34 HG2 GLU 8 1HG GLU 8 9.746 24.730 -3.980 35 HG3 GLU 8 2HG GLU 8 9.670 23.821 -2.471 36 H PHE 9 H PHE 9 11.711 21.193 -1.746 37 HA PHE 9 HA PHE 9 9.829 19.596 -0.648 38 HB2 PHE 9 1HB PHE 9 11.679 21.594 0.608 39 HB3 PHE 9 2HB PHE 9 10.556 20.684 1.613 40 HD1 PHE 9 HD2 PHE 9 13.321 20.324 -0.822 41 HD2 PHE 9 HD1 PHE 9 11.023 18.484 2.252 42 HE1 PHE 9 HE2 PHE 9 14.898 18.436 -0.778 43 HE2 PHE 9 HE1 PHE 9 12.597 16.594 2.302 44 HZ PHE 9 HZ PHE 9 14.537 16.568 0.785 45 H ALA 10 H ALA 10 7.695 19.986 -0.883 46 HA ALA 10 HA ALA 10 6.645 22.472 0.306 47 HB1 ALA 10 1HB ALA 10 5.293 20.922 -1.890 48 HB2 ALA 10 2HB ALA 10 4.905 22.538 -1.298 49 HB3 ALA 10 3HB ALA 10 6.398 22.263 -2.196 50 H ILE 11 H ILE 11 7.164 19.998 1.691 51 HA ILE 11 HA ILE 11 4.744 18.529 2.013 52 HB ILE 11 HB ILE 11 7.131 18.714 3.855 53 HG12 ILE 11 1HG1 ILE 11 7.488 16.359 2.783 54 HG13 ILE 11 2HG1 ILE 11 6.459 16.981 1.498 55 HG21 ILE 11 1HG2 ILE 11 4.586 17.273 4.020 56 HG22 ILE 11 2HG2 ILE 11 6.013 16.268 4.271 57 HG23 ILE 11 3HG2 ILE 11 5.743 17.685 5.286 58 HD11 ILE 11 1HD1 ILE 11 9.174 17.241 1.643 59 HD12 ILE 11 2HD1 ILE 11 8.098 18.224 0.650 60 HD13 ILE 11 3HD1 ILE 11 8.607 18.801 2.237 61 H ASP 12 H ASP 12 3.010 19.744 2.588 62 HA ASP 12 HA ASP 12 3.237 21.585 4.846 63 HB2 ASP 12 1HB ASP 12 1.246 21.162 2.659 64 HB3 ASP 12 2HB ASP 12 0.701 21.904 4.160 65 HA PRO 13 HA PRO 13 1.537 18.744 7.744 66 HB2 PRO 13 1HB PRO 13 0.535 20.511 9.545 67 HB3 PRO 13 2HB PRO 13 2.265 20.197 9.367 68 HG2 PRO 13 1HG PRO 13 0.626 22.450 8.271 69 HG3 PRO 13 2HG PRO 13 2.232 22.497 9.021 70 HD2 PRO 13 1HD PRO 13 1.875 22.579 6.339 71 HD3 PRO 13 2HD PRO 13 3.293 21.820 7.090 72 H ASN 14 H ASN 14 -0.421 21.215 6.251 73 HA ASN 14 HA ASN 14 -2.917 20.164 7.242 74 HB2 ASN 14 1HB ASN 14 -2.099 22.401 5.445 75 HB3 ASN 14 2HB ASN 14 -3.746 21.792 5.312 76 HD21 ASN 14 1HD2 ASN 14 -4.942 21.620 7.397 77 HD22 ASN 14 2HD2 ASN 14 -4.712 22.886 8.550 78 H GLU 15 H GLU 15 -1.479 18.145 6.023 79 HA GLU 15 HA GLU 15 -2.981 17.697 3.527 80 HB2 GLU 15 1HB GLU 15 -0.183 17.059 4.310 81 HB3 GLU 15 2HB GLU 15 -1.022 15.893 3.296 82 HG2 GLU 15 1HG GLU 15 0.363 17.626 2.103 83 HG3 GLU 15 2HG GLU 15 -1.302 17.444 1.555 84 HA PRO 16 HA PRO 16 -5.025 14.473 5.775 85 HB2 PRO 16 1HB PRO 16 -6.299 13.356 3.654 86 HB3 PRO 16 2HB PRO 16 -6.819 14.874 4.396 87 HG2 PRO 16 1HG PRO 16 -5.185 14.436 1.926 88 HG3 PRO 16 2HG PRO 16 -6.511 15.581 2.203 89 HD2 PRO 16 1HD PRO 16 -3.907 16.318 2.290 90 HD3 PRO 16 2HD PRO 16 -5.151 17.085 3.299 91 H THR 17 H THR 17 -5.485 12.006 5.190 92 HA THR 17 HA THR 17 -2.949 10.843 4.238 93 HB THR 17 HB THR 17 -3.139 9.082 5.895 94 HG1 THR 17 HG1 THR 17 -5.011 10.018 7.527 95 HG21 THR 17 1HG2 THR 17 -2.454 10.291 7.762 96 HG22 THR 17 2HG2 THR 17 -3.594 11.602 7.453 97 HG23 THR 17 3HG2 THR 17 -2.162 11.420 6.440 98 H TYR 18 H TYR 18 -3.124 9.393 2.655 99 HA TYR 18 HA TYR 18 -5.803 8.357 2.019 100 HB2 TYR 18 1HB TYR 18 -3.382 8.737 0.248 101 HB3 TYR 18 2HB TYR 18 -4.890 7.994 -0.272 102 HD1 TYR 18 HD2 TYR 18 -3.255 11.135 0.680 103 HD2 TYR 18 HD1 TYR 18 -6.866 9.334 -0.667 104 HE1 TYR 18 HE2 TYR 18 -4.142 13.357 0.106 105 HE2 TYR 18 HE1 TYR 18 -7.763 11.550 -1.245 106 HH TYR 18 HH TYR 18 -6.456 13.956 -1.877 107 H CYS 19 H CYS 19 -2.411 7.335 1.578 108 HA CYS 19 HA CYS 19 -2.727 4.673 1.178 109 HB2 CYS 19 1HB CYS 19 -0.562 6.069 1.390 110 HB3 CYS 19 2HB CYS 19 -0.621 5.641 3.097 111 H LEU 20 H LEU 20 -2.440 2.807 2.630 112 HA LEU 20 HA LEU 20 -4.381 2.812 4.687 113 HB2 LEU 20 1HB LEU 20 -2.227 0.760 4.216 114 HB3 LEU 20 2HB LEU 20 -3.751 0.524 5.069 115 HG LEU 20 HG LEU 20 -3.847 1.337 2.206 116 HD11 LEU 20 1HD1 LEU 20 -2.165 -0.424 2.220 117 HD12 LEU 20 2HD1 LEU 20 -3.668 -0.992 1.494 118 HD13 LEU 20 3HD1 LEU 20 -3.249 -1.467 3.140 119 HD21 LEU 20 1HD2 LEU 20 -5.995 0.980 2.646 120 HD22 LEU 20 2HD2 LEU 20 -5.616 0.300 4.229 121 HD23 LEU 20 3HD2 LEU 20 -5.619 -0.737 2.801 122 H CYS 21 H CYS 21 -0.882 3.085 4.679 123 HA CYS 21 HA CYS 21 -0.474 2.708 7.449 124 HB2 CYS 21 1HB CYS 21 1.722 3.700 7.078 125 HB3 CYS 21 2HB CYS 21 1.340 2.572 5.782 126 H ASN 22 H ASN 22 -2.153 5.089 5.894 127 HA ASN 22 HA ASN 22 -3.053 7.066 6.570 128 HB2 ASN 22 1HB ASN 22 -1.790 6.766 9.276 129 HB3 ASN 22 2HB ASN 22 -3.352 7.460 8.851 130 HD21 ASN 22 1HD2 ASN 22 -4.962 5.919 7.972 131 HD22 ASN 22 2HD2 ASN 22 -5.016 4.335 8.658 132 H GLN 23 H GLN 23 -0.910 7.415 5.096 133 HA GLN 23 HA GLN 23 0.561 9.578 6.445 134 HB2 GLN 23 1HB GLN 23 1.622 7.396 4.673 135 HB3 GLN 23 2HB GLN 23 2.466 8.931 4.819 136 HG2 GLN 23 1HG GLN 23 1.732 7.291 7.218 137 HG3 GLN 23 2HG GLN 23 3.222 7.021 6.316 138 HE21 GLN 23 1HE2 GLN 23 3.260 7.714 8.973 139 HE22 GLN 23 2HE2 GLN 23 3.903 9.308 9.144 140 H VAL 24 H VAL 24 1.353 11.260 5.016 141 HA VAL 24 HA VAL 24 -0.606 12.055 3.117 142 HB VAL 24 HB VAL 24 0.872 13.975 2.672 143 HG11 VAL 24 1HG1 VAL 24 0.584 15.015 4.750 144 HG12 VAL 24 2HG1 VAL 24 -0.660 13.763 4.711 145 HG13 VAL 24 3HG1 VAL 24 0.820 13.509 5.636 146 HG21 VAL 24 1HG2 VAL 24 3.060 13.313 2.751 147 HG22 VAL 24 2HG2 VAL 24 2.906 14.030 4.356 148 HG23 VAL 24 3HG2 VAL 24 2.813 12.280 4.159 149 H SER 25 H SER 25 0.092 12.864 0.892 150 HA SER 25 HA SER 25 1.311 10.624 -0.500 151 HB2 SER 25 1HB SER 25 0.470 11.687 -2.536 152 HB3 SER 25 2HB SER 25 -0.812 11.586 -1.329 153 HG SER 25 HG SER 25 0.077 13.740 -2.565 154 H TYR 26 H TYR 26 3.413 10.591 -0.892 155 HA TYR 26 HA TYR 26 4.759 13.095 -1.626 156 HB2 TYR 26 1HB TYR 26 6.784 12.091 -0.335 157 HB3 TYR 26 2HB TYR 26 5.519 12.919 0.566 158 HD1 TYR 26 HD2 TYR 26 3.701 11.482 1.650 159 HD2 TYR 26 HD1 TYR 26 7.360 9.882 0.182 160 HE1 TYR 26 HE2 TYR 26 3.380 9.482 3.046 161 HE2 TYR 26 HE1 TYR 26 7.049 7.878 1.573 162 HH TYR 26 HH TYR 26 4.780 7.704 4.065 163 H GLY 27 H GLY 27 5.579 9.641 -1.224 164 HA2 GLY 27 1HA GLY 27 7.225 9.668 -3.581 165 HA3 GLY 27 2HA GLY 27 6.848 8.269 -2.587 166 H GLU 28 H GLU 28 6.803 7.352 -4.861 167 HA GLU 28 HA GLU 28 4.775 7.953 -6.684 168 HB2 GLU 28 1HB GLU 28 6.560 5.644 -6.180 169 HB3 GLU 28 2HB GLU 28 5.114 5.313 -7.123 170 HG2 GLU 28 1HG GLU 28 6.752 7.662 -7.887 171 HG3 GLU 28 2HG GLU 28 7.390 6.057 -8.240 172 H MET 29 H MET 29 2.662 7.479 -6.814 173 HA MET 29 HA MET 29 1.534 5.503 -4.965 174 HB2 MET 29 1HB MET 29 0.551 8.335 -5.334 175 HB3 MET 29 2HB MET 29 -0.375 7.074 -4.532 176 HG2 MET 29 1HG MET 29 1.307 6.870 -2.818 177 HG3 MET 29 2HG MET 29 2.337 8.032 -3.651 178 HE1 MET 29 1HE MET 29 -0.202 7.615 -0.829 179 HE2 MET 29 2HE MET 29 -1.382 8.891 -1.127 180 HE3 MET 29 3HE MET 29 -1.251 7.532 -2.245 181 H ILE 30 H ILE 30 -0.362 4.498 -5.672 182 HA ILE 30 HA ILE 30 -1.027 4.987 -8.502 183 HB ILE 30 HB ILE 30 -1.514 2.670 -8.787 184 HG12 ILE 30 1HG1 ILE 30 -2.325 2.570 -6.264 185 HG13 ILE 30 2HG1 ILE 30 -1.805 1.119 -7.113 186 HG21 ILE 30 1HG2 ILE 30 0.766 3.014 -9.125 187 HG22 ILE 30 2HG2 ILE 30 1.084 3.239 -7.406 188 HG23 ILE 30 3HG2 ILE 30 0.713 1.633 -8.031 189 HD11 ILE 30 1HD1 ILE 30 -0.934 1.624 -4.720 190 HD12 ILE 30 2HD1 ILE 30 0.163 0.980 -5.941 191 HD13 ILE 30 3HD1 ILE 30 0.183 2.701 -5.558 192 H GLY 31 H GLY 31 -3.221 4.681 -9.152 193 HA2 GLY 31 1HA GLY 31 -5.100 5.377 -7.019 194 HA3 GLY 31 2HA GLY 31 -5.377 5.561 -8.744 195 H CYS 32 H CYS 32 -6.137 3.768 -6.049 196 HA CYS 32 HA CYS 32 -6.338 1.148 -6.899 197 HB2 CYS 32 1HB CYS 32 -6.815 1.787 -4.607 198 HB3 CYS 32 2HB CYS 32 -8.222 2.710 -5.122 199 H ASP 33 H ASP 33 -7.226 0.377 -8.689 200 HA ASP 33 HA ASP 33 -8.807 1.562 -10.519 201 HB2 ASP 33 1HB ASP 33 -7.824 -0.830 -10.490 202 HB3 ASP 33 2HB ASP 33 -9.365 -1.299 -9.775 203 H ASN 34 H ASN 34 -9.960 -0.065 -7.594 204 HA ASN 34 HA ASN 34 -12.715 0.202 -8.125 205 HB2 ASN 34 1HB ASN 34 -11.671 -1.308 -6.400 206 HB3 ASN 34 2HB ASN 34 -11.417 0.117 -5.396 207 HD21 ASN 34 1HD2 ASN 34 -12.892 0.375 -3.900 208 HD22 ASN 34 2HD2 ASN 34 -14.554 -0.083 -4.009 209 H GLU 35 H GLU 35 -13.384 2.210 -8.719 210 HA GLU 35 HA GLU 35 -12.529 4.655 -7.756 211 HB2 GLU 35 1HB GLU 35 -14.723 5.538 -8.527 212 HB3 GLU 35 2HB GLU 35 -13.924 4.519 -9.716 213 HG2 GLU 35 1HG GLU 35 -15.362 2.626 -8.911 214 HG3 GLU 35 2HG GLU 35 -16.260 3.812 -7.964 215 H GLN 36 H GLN 36 -15.298 2.726 -6.622 216 HA GLN 36 HA GLN 36 -16.394 4.282 -4.716 217 HB2 GLN 36 1HB GLN 36 -17.230 2.064 -5.098 218 HB3 GLN 36 2HB GLN 36 -15.734 1.343 -4.518 219 HG2 GLN 36 1HG GLN 36 -16.212 2.295 -2.276 220 HG3 GLN 36 2HG GLN 36 -17.772 2.841 -2.891 221 HE21 GLN 36 1HE2 GLN 36 -17.086 0.925 -0.762 222 HE22 GLN 36 2HE2 GLN 36 -17.897 -0.542 -1.181 223 H CYS 37 H CYS 37 -13.233 2.822 -4.589 224 HA CYS 37 HA CYS 37 -12.682 3.011 -1.865 225 HB2 CYS 37 1HB CYS 37 -11.291 2.086 -3.941 226 HB3 CYS 37 2HB CYS 37 -10.514 3.660 -3.803 227 HA PRO 38 HA PRO 38 -12.894 7.460 -1.451 228 HB2 PRO 38 1HB PRO 38 -12.483 7.480 1.233 229 HB3 PRO 38 2HB PRO 38 -14.043 7.080 0.502 230 HG2 PRO 38 1HG PRO 38 -11.917 5.250 1.550 231 HG3 PRO 38 2HG PRO 38 -13.676 5.155 1.754 232 HD2 PRO 38 1HD PRO 38 -12.335 3.648 -0.053 233 HD3 PRO 38 2HD PRO 38 -13.994 4.220 -0.328 234 H ILE 39 H ILE 39 -10.283 5.447 -1.363 235 HA ILE 39 HA ILE 39 -8.438 7.581 -0.520 236 HB ILE 39 HB ILE 39 -7.894 4.618 -0.738 237 HG12 ILE 39 1HG1 ILE 39 -8.059 6.288 1.771 238 HG13 ILE 39 2HG1 ILE 39 -9.436 5.396 1.132 239 HG21 ILE 39 1HG2 ILE 39 -5.994 6.285 -1.139 240 HG22 ILE 39 2HG2 ILE 39 -6.141 6.667 0.575 241 HG23 ILE 39 3HG2 ILE 39 -5.738 5.026 0.069 242 HD11 ILE 39 1HD1 ILE 39 -7.841 4.389 2.976 243 HD12 ILE 39 2HD1 ILE 39 -8.580 3.381 1.731 244 HD13 ILE 39 3HD1 ILE 39 -6.907 3.912 1.558 245 H GLU 40 H GLU 40 -8.428 4.813 -2.777 246 HA GLU 40 HA GLU 40 -7.445 4.552 -4.823 247 HB2 GLU 40 1HB GLU 40 -8.696 7.286 -5.036 248 HB3 GLU 40 2HB GLU 40 -7.933 6.493 -6.407 249 HG2 GLU 40 1HG GLU 40 -9.498 4.662 -6.272 250 HG3 GLU 40 2HG GLU 40 -10.223 5.355 -4.822 251 H TRP 41 H TRP 41 -5.658 5.424 -2.796 252 HA TRP 41 HA TRP 41 -3.498 6.330 -4.436 253 HB2 TRP 41 1HB TRP 41 -4.602 8.181 -2.318 254 HB3 TRP 41 2HB TRP 41 -2.987 8.342 -3.002 255 HD1 TRP 41 HD1 TRP 41 -6.351 9.648 -3.456 256 HE1 TRP 41 HE1 TRP 41 -6.634 10.734 -5.772 257 HE3 TRP 41 HE3 TRP 41 -2.170 7.791 -5.738 258 HZ2 TRP 41 HZ2 TRP 41 -5.265 10.794 -8.241 259 HZ3 TRP 41 HZ3 TRP 41 -1.730 8.410 -8.078 260 HH2 TRP 41 HH2 TRP 41 -3.247 9.880 -9.302 261 H PHE 42 H PHE 42 -1.950 4.993 -3.797 262 HA PHE 42 HA PHE 42 -1.290 4.824 -0.964 263 HB2 PHE 42 1HB PHE 42 -1.705 2.340 -2.639 264 HB3 PHE 42 2HB PHE 42 -1.224 2.397 -0.946 265 HD1 PHE 42 HD1 PHE 42 -3.992 2.952 -3.301 266 HD2 PHE 42 HD2 PHE 42 -2.825 2.712 0.785 267 HE1 PHE 42 HE1 PHE 42 -6.359 2.872 -2.633 268 HE2 PHE 42 HE2 PHE 42 -5.189 2.631 1.459 269 HZ PHE 42 HZ PHE 42 -6.960 2.710 -0.250 270 H HIS 43 H HIS 43 0.861 4.321 -0.549 271 HA HIS 43 HA HIS 43 2.705 4.994 -2.600 272 HB2 HIS 43 1HB HIS 43 3.319 3.719 0.071 273 HB3 HIS 43 2HB HIS 43 4.422 4.650 -0.938 274 HD2 HIS 43 HD2 HIS 43 3.426 7.466 -1.228 275 HE1 HIS 43 HE1 HIS 43 1.784 7.337 2.682 276 HE2 HIS 43 HE2 HIS 43 2.403 8.807 0.733 277 H PHE 44 H PHE 44 4.505 3.666 -3.328 278 HA PHE 44 HA PHE 44 3.615 1.120 -4.253 279 HB2 PHE 44 1HB PHE 44 6.172 2.676 -4.513 280 HB3 PHE 44 2HB PHE 44 6.082 1.007 -5.066 281 HD1 PHE 44 HD2 PHE 44 3.579 3.755 -5.254 282 HD2 PHE 44 HD1 PHE 44 6.123 1.078 -7.372 283 HE1 PHE 44 HE2 PHE 44 2.605 4.517 -7.381 284 HE2 PHE 44 HE1 PHE 44 5.153 1.836 -9.502 285 HZ PHE 44 HZ PHE 44 3.391 3.557 -9.509 286 H SER 45 H SER 45 6.567 1.930 -2.421 287 HA SER 45 HA SER 45 7.390 -0.520 -1.648 288 HB2 SER 45 1HB SER 45 8.534 1.579 -1.024 289 HB3 SER 45 2HB SER 45 7.283 1.894 0.179 290 HG SER 45 HG SER 45 8.123 -0.520 0.679 291 H CYS 46 H CYS 46 4.695 1.274 -0.267 292 HA CYS 46 HA CYS 46 4.195 -0.423 1.926 293 HB2 CYS 46 1HB CYS 46 2.608 1.615 0.422 294 HB3 CYS 46 2HB CYS 46 1.768 0.553 1.547 295 H VAL 47 H VAL 47 2.674 -0.296 -1.294 296 HA VAL 47 HA VAL 47 1.328 -2.825 -0.800 297 HB VAL 47 HB VAL 47 0.327 -2.491 -3.032 298 HG11 VAL 47 1HG1 VAL 47 0.028 -0.737 -0.742 299 HG12 VAL 47 2HG1 VAL 47 -0.490 0.032 -2.243 300 HG13 VAL 47 3HG1 VAL 47 -1.203 -1.503 -1.746 301 HG21 VAL 47 1HG2 VAL 47 1.130 0.258 -3.389 302 HG22 VAL 47 2HG2 VAL 47 2.521 -0.823 -3.445 303 HG23 VAL 47 3HG2 VAL 47 1.161 -1.079 -4.538 304 H SER 48 H SER 48 4.253 -2.738 -0.978 305 HA SER 48 HA SER 48 6.018 -3.722 -2.061 306 HB2 SER 48 1HB SER 48 4.781 -5.636 -1.050 307 HB3 SER 48 2HB SER 48 3.925 -5.849 -2.577 308 HG SER 48 HG SER 48 5.666 -7.228 -2.585 309 H LEU 49 H LEU 49 5.172 -1.846 -3.719 310 HA LEU 49 HA LEU 49 4.902 -3.137 -6.351 311 HB2 LEU 49 1HB LEU 49 3.840 -0.644 -5.191 312 HB3 LEU 49 2HB LEU 49 4.403 -0.534 -6.858 313 HG LEU 49 HG LEU 49 2.276 -2.409 -5.824 314 HD11 LEU 49 1HD1 LEU 49 2.006 0.245 -6.277 315 HD12 LEU 49 2HD1 LEU 49 0.715 -0.937 -6.485 316 HD13 LEU 49 3HD1 LEU 49 1.655 -0.405 -7.879 317 HD21 LEU 49 1HD2 LEU 49 2.491 -3.575 -7.699 318 HD22 LEU 49 2HD2 LEU 49 3.934 -2.636 -8.085 319 HD23 LEU 49 3HD2 LEU 49 2.355 -2.108 -8.669 320 H THR 50 H THR 50 6.411 -2.807 -7.895 321 HA THR 50 HA THR 50 8.810 -1.325 -7.099 322 HB THR 50 HB THR 50 8.480 -3.240 -9.415 323 HG1 THR 50 HG1 THR 50 8.221 -4.166 -7.245 324 HG21 THR 50 1HG2 THR 50 10.379 -1.445 -9.297 325 HG22 THR 50 2HG2 THR 50 10.766 -3.108 -9.738 326 HG23 THR 50 3HG2 THR 50 11.070 -2.537 -8.098 327 H TYR 51 H TYR 51 6.314 -1.440 -9.551 328 HA TYR 51 HA TYR 51 6.864 1.248 -10.354 329 HB2 TYR 51 1HB TYR 51 7.169 0.571 -12.812 330 HB3 TYR 51 2HB TYR 51 8.556 0.390 -11.744 331 HD1 TYR 51 HD1 TYR 51 9.265 -1.853 -11.001 332 HD2 TYR 51 HD2 TYR 51 6.115 -1.334 -13.814 333 HE1 TYR 51 HE1 TYR 51 9.454 -4.221 -11.640 334 HE2 TYR 51 HE2 TYR 51 6.295 -3.701 -14.460 335 HH TYR 51 HH TYR 51 8.818 -5.570 -13.911 336 H LYS 52 H LYS 52 5.222 2.134 -11.673 337 HA LYS 52 HA LYS 52 2.661 1.557 -11.193 338 HB2 LYS 52 1HB LYS 52 4.030 2.801 -13.494 339 HB3 LYS 52 2HB LYS 52 2.377 2.282 -13.794 340 HG2 LYS 52 1HG LYS 52 3.057 3.949 -11.403 341 HG3 LYS 52 2HG LYS 52 2.788 4.683 -12.986 342 HD2 LYS 52 1HD LYS 52 0.564 3.746 -13.088 343 HD3 LYS 52 2HD LYS 52 0.830 2.866 -11.581 344 HE2 LYS 52 1HE LYS 52 0.958 4.913 -10.339 345 HE3 LYS 52 2HE LYS 52 0.926 5.869 -11.820 346 HZ1 LYS 52 1HZ LYS 52 -1.300 5.487 -12.128 347 HZ2 LYS 52 2HZ LYS 52 -1.228 5.542 -10.439 348 HZ3 LYS 52 3HZ LYS 52 -1.307 4.051 -11.234 349 HA PRO 53 HA PRO 53 2.085 -2.553 -12.825 350 HB2 PRO 53 1HB PRO 53 -0.513 -2.781 -12.069 351 HB3 PRO 53 2HB PRO 53 0.836 -2.961 -10.940 352 HG2 PRO 53 1HG PRO 53 -0.920 -0.587 -11.431 353 HG3 PRO 53 2HG PRO 53 -0.346 -1.255 -9.892 354 HD2 PRO 53 1HD PRO 53 0.791 0.910 -11.055 355 HD3 PRO 53 2HD PRO 53 1.719 -0.249 -10.081 356 H LYS 54 H LYS 54 1.565 -3.167 -14.828 357 HA LYS 54 HA LYS 54 0.235 -1.368 -16.611 358 HB2 LYS 54 1HB LYS 54 1.171 -4.217 -16.987 359 HB3 LYS 54 2HB LYS 54 0.548 -3.197 -18.277 360 HG2 LYS 54 1HG LYS 54 2.807 -2.154 -16.663 361 HG3 LYS 54 2HG LYS 54 3.137 -3.456 -17.809 362 HD2 LYS 54 1HD LYS 54 3.424 -1.713 -19.231 363 HD3 LYS 54 2HD LYS 54 1.670 -1.855 -19.379 364 HE2 LYS 54 1HE LYS 54 2.267 0.458 -19.034 365 HE3 LYS 54 2HE LYS 54 1.418 -0.148 -17.612 366 HZ1 LYS 54 1HZ LYS 54 3.343 -0.161 -16.364 367 HZ2 LYS 54 2HZ LYS 54 3.545 1.234 -17.297 368 HZ3 LYS 54 3HZ LYS 54 4.363 -0.187 -17.713 369 H GLY 55 H GLY 55 -1.858 -1.265 -17.118 370 HA2 GLY 55 1HA GLY 55 -3.948 -2.268 -17.698 371 HA3 GLY 55 2HA GLY 55 -3.550 -3.623 -16.651 372 H LYS 56 H LYS 56 -4.326 -3.643 -14.628 373 HA LYS 56 HA LYS 56 -5.357 -1.135 -13.498 374 HB2 LYS 56 1HB LYS 56 -6.833 -3.775 -13.521 375 HB3 LYS 56 2HB LYS 56 -7.364 -2.316 -12.694 376 HG2 LYS 56 1HG LYS 56 -6.925 -2.466 -15.665 377 HG3 LYS 56 2HG LYS 56 -8.479 -2.779 -14.888 378 HD2 LYS 56 1HD LYS 56 -8.262 -0.493 -13.827 379 HD3 LYS 56 2HD LYS 56 -6.901 -0.214 -14.915 380 HE2 LYS 56 1HE LYS 56 -8.345 -0.573 -16.840 381 HE3 LYS 56 2HE LYS 56 -9.705 -0.922 -15.774 382 HZ1 LYS 56 1HZ LYS 56 -10.106 1.233 -15.510 383 HZ2 LYS 56 2HZ LYS 56 -9.024 1.526 -16.776 384 HZ3 LYS 56 3HZ LYS 56 -8.487 1.590 -15.173 385 H TRP 57 H TRP 57 -5.566 -1.139 -11.182 386 HA TRP 57 HA TRP 57 -4.213 -3.322 -9.780 387 HB2 TRP 57 1HB TRP 57 -2.451 -1.702 -10.243 388 HB3 TRP 57 2HB TRP 57 -3.429 -0.408 -9.557 389 HD1 TRP 57 HD1 TRP 57 -1.213 -3.342 -8.557 390 HE1 TRP 57 HE1 TRP 57 -0.714 -3.186 -6.036 391 HE3 TRP 57 HE3 TRP 57 -4.413 0.451 -7.328 392 HZ2 TRP 57 HZ2 TRP 57 -1.565 -1.658 -3.821 393 HZ3 TRP 57 HZ3 TRP 57 -4.510 1.200 -4.986 394 HH2 TRP 57 HH2 TRP 57 -3.116 0.165 -3.270 395 H TYR 58 H TYR 58 -5.471 -3.945 -8.164 396 HA TYR 58 HA TYR 58 -7.314 -1.989 -6.970 397 HB2 TYR 58 1HB TYR 58 -7.436 -4.983 -7.260 398 HB3 TYR 58 2HB TYR 58 -8.453 -4.132 -6.102 399 HD1 TYR 58 HD1 TYR 58 -7.738 -4.623 -9.680 400 HD2 TYR 58 HD2 TYR 58 -10.333 -2.828 -6.826 401 HE1 TYR 58 HE1 TYR 58 -9.370 -4.165 -11.461 402 HE2 TYR 58 HE2 TYR 58 -11.973 -2.365 -8.599 403 HH TYR 58 HH TYR 58 -11.719 -2.034 -11.299 404 H CYS 59 H CYS 59 -6.622 -1.164 -5.119 405 HA CYS 59 HA CYS 59 -4.513 -1.880 -3.575 406 HB2 CYS 59 1HB CYS 59 -5.325 -0.457 -1.930 407 HB3 CYS 59 2HB CYS 59 -6.196 0.104 -3.354 408 HA PRO 60 HA PRO 60 -5.345 -5.633 -1.459 409 HB2 PRO 60 1HB PRO 60 -4.125 -5.195 0.927 410 HB3 PRO 60 2HB PRO 60 -3.231 -5.471 -0.573 411 HG2 PRO 60 1HG PRO 60 -3.865 -2.891 0.807 412 HG3 PRO 60 2HG PRO 60 -2.347 -3.413 0.053 413 HD2 PRO 60 1HD PRO 60 -4.087 -1.742 -1.179 414 HD3 PRO 60 2HD PRO 60 -3.080 -2.900 -2.072 415 H LYS 61 H LYS 61 -6.573 -2.663 -0.314 416 HA LYS 61 HA LYS 61 -7.979 -3.750 1.959 417 HB2 LYS 61 1HB LYS 61 -7.145 -1.261 1.393 418 HB3 LYS 61 2HB LYS 61 -8.793 -1.146 0.788 419 HG2 LYS 61 1HG LYS 61 -9.576 -1.968 3.017 420 HG3 LYS 61 2HG LYS 61 -7.912 -1.817 3.584 421 HD2 LYS 61 1HD LYS 61 -8.905 0.196 4.227 422 HD3 LYS 61 2HD LYS 61 -8.056 0.604 2.734 423 HE2 LYS 61 1HE LYS 61 -10.206 1.599 2.598 424 HE3 LYS 61 2HE LYS 61 -10.221 0.204 1.519 425 HZ1 LYS 61 1HZ LYS 61 -12.237 0.235 2.773 426 HZ2 LYS 61 2HZ LYS 61 -11.402 0.362 4.238 427 HZ3 LYS 61 3HZ LYS 61 -11.302 -1.061 3.328 428 H CYS 62 H CYS 62 -8.596 -3.193 -1.413 429 HA CYS 62 HA CYS 62 -11.454 -3.711 -1.081 430 HB2 CYS 62 1HB CYS 62 -9.782 -2.816 -3.426 431 HB3 CYS 62 2HB CYS 62 -11.467 -3.294 -3.601 432 H ARG 63 H ARG 63 -8.771 -4.925 -3.096 433 HA ARG 63 HA ARG 63 -10.079 -7.166 -4.108 434 HB2 ARG 63 1HB ARG 63 -7.943 -7.966 -4.771 435 HB3 ARG 63 2HB ARG 63 -7.860 -6.212 -4.856 436 HG2 ARG 63 1HG ARG 63 -6.420 -6.054 -3.085 437 HG3 ARG 63 2HG ARG 63 -6.977 -7.561 -2.357 438 HD2 ARG 63 1HD ARG 63 -5.924 -8.740 -4.340 439 HD3 ARG 63 2HD ARG 63 -5.159 -7.199 -4.726 440 HE ARG 63 HE ARG 63 -4.737 -8.145 -2.025 441 HH11 ARG 63 1HH1 ARG 63 -3.556 -8.051 -5.299 442 HH12 ARG 63 2HH1 ARG 63 -1.917 -8.398 -4.856 443 HH21 ARG 63 1HH2 ARG 63 -2.583 -8.603 -1.429 444 HH22 ARG 63 2HH2 ARG 63 -1.365 -8.713 -2.654 445 H GLY 64 H GLY 64 -8.618 -6.613 -1.000 446 HA2 GLY 64 1HA GLY 64 -8.391 -9.354 -0.234 447 HA3 GLY 64 2HA GLY 64 -8.336 -7.966 0.843 448 H ASP 65 H ASP 65 -9.592 -9.072 2.388 449 HA ASP 65 HA ASP 65 -11.499 -9.784 3.416 450 HB2 ASP 65 1HB ASP 65 -11.953 -7.318 2.820 451 HB3 ASP 65 2HB ASP 65 -12.999 -7.956 1.554 452 H SER 66 H SER 66 -10.676 -11.472 1.359 453 HA SER 66 HA SER 66 -12.834 -12.131 -0.389 454 HB2 SER 66 1HB SER 66 -11.504 -14.130 -0.928 455 HB3 SER 66 2HB SER 66 -10.505 -12.677 -0.955 456 HG SER 66 HG SER 66 -10.237 -14.886 0.552 457 H GLY 67 H GLY 67 -11.534 -13.626 2.570 458 HA2 GLY 67 1HA GLY 67 -13.680 -14.232 3.987 459 HA3 GLY 67 2HA GLY 67 -13.848 -15.407 2.691 460 HA PRO 68 HA PRO 68 -9.807 -16.530 5.131 461 HB2 PRO 68 1HB PRO 68 -9.521 -15.329 7.549 462 HB3 PRO 68 2HB PRO 68 -8.860 -14.652 6.056 463 HG2 PRO 68 1HG PRO 68 -11.378 -13.937 7.509 464 HG3 PRO 68 2HG PRO 68 -10.175 -12.869 6.763 465 HD2 PRO 68 1HD PRO 68 -12.520 -13.487 5.559 466 HD3 PRO 68 2HD PRO 68 -11.030 -13.177 4.645 467 H SER 69 H SER 69 -12.720 -15.723 6.962 468 HA SER 69 HA SER 69 -12.585 -17.517 9.039 469 HB2 SER 69 1HB SER 69 -15.049 -16.788 7.436 470 HB3 SER 69 2HB SER 69 -15.049 -17.492 9.053 471 HG SER 69 HG SER 69 -14.671 -14.907 8.283 472 H SER 70 H SER 70 -13.918 -18.120 5.794 473 HA SER 70 HA SER 70 -14.555 -20.827 6.230 474 HB2 SER 70 1HB SER 70 -14.939 -20.970 3.894 475 HB3 SER 70 2HB SER 70 -15.346 -19.310 4.329 476 HG SER 70 HG SER 70 -13.158 -20.294 2.886 477 H GLY 71 H GLY 71 -13.240 -22.482 6.578 478 HA2 GLY 71 1HA GLY 71 -10.519 -22.490 6.656 479 HA3 GLY 71 2HA GLY 71 -11.464 -23.931 6.309 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 6.826 -2.532 34.848 2 HA2 GLY 1 1HA GLY 1 4.601 -0.733 34.249 3 HA3 GLY 1 2HA GLY 1 5.617 -0.686 35.682 4 H SER 2 H SER 2 6.193 -0.490 32.166 5 HA SER 2 HA SER 2 8.203 1.548 32.592 6 HB2 SER 2 1HB SER 2 8.637 1.362 30.215 7 HB3 SER 2 2HB SER 2 8.482 -0.260 30.890 8 HG SER 2 HG SER 2 6.293 1.093 29.722 9 H SER 3 H SER 3 7.780 3.643 32.668 10 HA SER 3 HA SER 3 5.755 4.803 30.938 11 HB2 SER 3 1HB SER 3 4.508 4.210 32.990 12 HB3 SER 3 2HB SER 3 5.641 5.168 33.943 13 HG SER 3 HG SER 3 3.608 5.990 32.228 14 H GLY 4 H GLY 4 6.536 6.613 30.085 15 HA2 GLY 4 1HA GLY 4 7.564 8.820 31.226 16 HA3 GLY 4 2HA GLY 4 8.969 7.765 31.161 17 H SER 5 H SER 5 8.561 6.493 28.736 18 HA SER 5 HA SER 5 9.047 8.721 26.894 19 HB2 SER 5 1HB SER 5 10.744 6.836 27.233 20 HB3 SER 5 2HB SER 5 9.613 5.806 26.355 21 HG SER 5 HG SER 5 9.891 7.027 24.552 22 H SER 6 H SER 6 8.014 8.889 24.910 23 HA SER 6 HA SER 6 6.076 6.969 24.035 24 HB2 SER 6 1HB SER 6 4.080 8.249 24.337 25 HB3 SER 6 2HB SER 6 4.892 8.212 25.902 26 HG SER 6 HG SER 6 4.319 10.333 24.287 27 H GLY 7 H GLY 7 6.485 6.973 21.928 28 HA2 GLY 7 1HA GLY 7 7.839 8.676 20.369 29 HA3 GLY 7 2HA GLY 7 6.440 7.805 19.758 30 H GLU 8 H GLU 8 4.304 8.864 20.114 31 HA GLU 8 HA GLU 8 2.916 10.616 19.680 32 HB2 GLU 8 1HB GLU 8 4.830 11.659 21.704 33 HB3 GLU 8 2HB GLU 8 3.792 12.827 20.898 34 HG2 GLU 8 1HG GLU 8 1.889 11.177 21.543 35 HG3 GLU 8 2HG GLU 8 3.058 10.587 22.722 36 H PHE 9 H PHE 9 4.915 10.095 17.736 37 HA PHE 9 HA PHE 9 6.401 12.197 16.801 38 HB2 PHE 9 1HB PHE 9 5.933 9.767 15.845 39 HB3 PHE 9 2HB PHE 9 4.819 10.646 14.802 40 HD1 PHE 9 HD1 PHE 9 6.029 12.994 13.967 41 HD2 PHE 9 HD2 PHE 9 7.924 9.284 14.839 42 HE1 PHE 9 HE1 PHE 9 7.897 13.604 12.485 43 HE2 PHE 9 HE2 PHE 9 9.795 9.888 13.360 44 HZ PHE 9 HZ PHE 9 9.784 12.051 12.181 45 H ALA 10 H ALA 10 5.941 14.214 16.253 46 HA ALA 10 HA ALA 10 3.332 15.253 16.165 47 HB1 ALA 10 1HB ALA 10 6.048 16.281 15.638 48 HB2 ALA 10 2HB ALA 10 4.717 17.172 14.898 49 HB3 ALA 10 3HB ALA 10 4.758 16.938 16.646 50 H ILE 11 H ILE 11 1.845 15.157 14.626 51 HA ILE 11 HA ILE 11 2.718 14.651 11.857 52 HB ILE 11 HB ILE 11 0.075 13.924 13.125 53 HG12 ILE 11 1HG1 ILE 11 2.015 12.569 13.915 54 HG13 ILE 11 2HG1 ILE 11 0.824 11.627 13.023 55 HG21 ILE 11 1HG2 ILE 11 0.342 14.492 10.568 56 HG22 ILE 11 2HG2 ILE 11 0.998 12.857 10.507 57 HG23 ILE 11 3HG2 ILE 11 -0.640 13.128 11.103 58 HD11 ILE 11 1HD1 ILE 11 2.211 11.430 11.160 59 HD12 ILE 11 2HD1 ILE 11 3.260 12.745 11.690 60 HD13 ILE 11 3HD1 ILE 11 3.284 11.200 12.540 61 H ASP 12 H ASP 12 2.749 16.593 10.884 62 HA ASP 12 HA ASP 12 1.192 18.813 11.484 63 HB2 ASP 12 1HB ASP 12 1.696 19.431 9.009 64 HB3 ASP 12 2HB ASP 12 3.039 19.265 10.137 65 HA PRO 13 HA PRO 13 -2.750 17.227 10.047 66 HB2 PRO 13 1HB PRO 13 -4.199 19.328 10.971 67 HB3 PRO 13 2HB PRO 13 -3.634 18.018 12.014 68 HG2 PRO 13 1HG PRO 13 -2.468 20.743 11.595 69 HG3 PRO 13 2HG PRO 13 -2.691 19.841 13.106 70 HD2 PRO 13 1HD PRO 13 -0.304 19.988 11.835 71 HD3 PRO 13 2HD PRO 13 -0.804 18.562 12.767 72 H ASN 14 H ASN 14 -1.083 20.114 9.207 73 HA ASN 14 HA ASN 14 -2.807 21.493 7.585 74 HB2 ASN 14 1HB ASN 14 0.144 20.949 7.289 75 HB3 ASN 14 2HB ASN 14 -0.724 22.009 6.182 76 HD21 ASN 14 1HD2 ASN 14 0.618 23.721 6.876 77 HD22 ASN 14 2HD2 ASN 14 0.328 24.523 8.379 78 H GLU 15 H GLU 15 -0.988 18.564 6.801 79 HA GLU 15 HA GLU 15 -2.509 18.371 4.285 80 HB2 GLU 15 1HB GLU 15 -0.017 18.532 4.075 81 HB3 GLU 15 2HB GLU 15 0.106 17.011 4.947 82 HG2 GLU 15 1HG GLU 15 -0.960 15.819 3.202 83 HG3 GLU 15 2HG GLU 15 -1.442 17.308 2.391 84 HA PRO 16 HA PRO 16 -4.574 14.929 6.164 85 HB2 PRO 16 1HB PRO 16 -5.852 14.064 3.930 86 HB3 PRO 16 2HB PRO 16 -6.365 15.491 4.839 87 HG2 PRO 16 1HG PRO 16 -4.732 15.324 2.335 88 HG3 PRO 16 2HG PRO 16 -6.052 16.438 2.738 89 HD2 PRO 16 1HD PRO 16 -3.445 17.148 2.908 90 HD3 PRO 16 2HD PRO 16 -4.686 17.803 3.996 91 H THR 17 H THR 17 -4.959 12.545 5.506 92 HA THR 17 HA THR 17 -2.502 11.481 4.271 93 HB THR 17 HB THR 17 -2.447 9.678 5.843 94 HG1 THR 17 HG1 THR 17 -4.590 9.241 6.214 95 HG21 THR 17 1HG2 THR 17 -3.076 11.977 7.648 96 HG22 THR 17 2HG2 THR 17 -1.720 12.097 6.527 97 HG23 THR 17 3HG2 THR 17 -1.755 10.812 7.734 98 H TYR 18 H TYR 18 -2.691 9.425 3.223 99 HA TYR 18 HA TYR 18 -5.436 8.616 2.556 100 HB2 TYR 18 1HB TYR 18 -3.187 9.051 0.580 101 HB3 TYR 18 2HB TYR 18 -4.738 8.315 0.191 102 HD1 TYR 18 HD2 TYR 18 -3.385 11.434 1.749 103 HD2 TYR 18 HD1 TYR 18 -6.378 9.668 -0.707 104 HE1 TYR 18 HE2 TYR 18 -4.324 13.662 1.300 105 HE2 TYR 18 HE1 TYR 18 -7.324 11.892 -1.163 106 HH TYR 18 HH TYR 18 -7.267 14.062 -0.629 107 H CYS 19 H CYS 19 -2.013 7.732 2.085 108 HA CYS 19 HA CYS 19 -2.378 5.016 1.636 109 HB2 CYS 19 1HB CYS 19 -0.236 6.387 1.419 110 HB3 CYS 19 2HB CYS 19 -0.032 6.154 3.152 111 H LEU 20 H LEU 20 -1.658 3.235 3.141 112 HA LEU 20 HA LEU 20 -3.367 3.136 5.373 113 HB2 LEU 20 1HB LEU 20 -0.976 1.391 4.808 114 HB3 LEU 20 2HB LEU 20 -2.329 1.007 5.869 115 HG LEU 20 HG LEU 20 -2.892 1.539 2.993 116 HD11 LEU 20 1HD1 LEU 20 -0.886 -0.027 3.201 117 HD12 LEU 20 2HD1 LEU 20 -2.271 -0.597 2.272 118 HD13 LEU 20 3HD1 LEU 20 -2.015 -1.178 3.917 119 HD21 LEU 20 1HD2 LEU 20 -4.087 0.017 5.260 120 HD22 LEU 20 2HD2 LEU 20 -4.426 -0.498 3.607 121 HD23 LEU 20 3HD2 LEU 20 -4.846 1.135 4.126 122 H CYS 21 H CYS 21 0.125 3.654 5.101 123 HA CYS 21 HA CYS 21 0.707 3.673 7.848 124 HB2 CYS 21 1HB CYS 21 2.770 4.850 7.215 125 HB3 CYS 21 2HB CYS 21 2.447 3.497 6.135 126 H ASN 22 H ASN 22 -1.176 5.783 6.074 127 HA ASN 22 HA ASN 22 -2.163 7.779 6.537 128 HB2 ASN 22 1HB ASN 22 -1.177 6.964 9.253 129 HB3 ASN 22 2HB ASN 22 -1.918 8.545 9.020 130 HD21 ASN 22 1HD2 ASN 22 -4.060 8.502 7.897 131 HD22 ASN 22 2HD2 ASN 22 -5.152 7.236 8.334 132 H GLN 23 H GLN 23 0.078 8.096 5.173 133 HA GLN 23 HA GLN 23 1.409 10.384 6.465 134 HB2 GLN 23 1HB GLN 23 2.553 8.160 4.814 135 HB3 GLN 23 2HB GLN 23 3.335 9.735 4.825 136 HG2 GLN 23 1HG GLN 23 2.709 8.232 7.346 137 HG3 GLN 23 2HG GLN 23 4.210 8.006 6.450 138 HE21 GLN 23 1HE2 GLN 23 5.443 8.778 8.163 139 HE22 GLN 23 2HE2 GLN 23 5.501 10.455 8.572 140 H VAL 24 H VAL 24 2.153 12.062 5.014 141 HA VAL 24 HA VAL 24 0.207 12.855 3.155 142 HB VAL 24 HB VAL 24 1.776 14.641 2.511 143 HG11 VAL 24 1HG1 VAL 24 1.870 15.743 4.644 144 HG12 VAL 24 2HG1 VAL 24 0.385 14.792 4.567 145 HG13 VAL 24 3HG1 VAL 24 1.765 14.202 5.494 146 HG21 VAL 24 1HG2 VAL 24 3.730 12.794 3.244 147 HG22 VAL 24 2HG2 VAL 24 3.984 14.467 2.745 148 HG23 VAL 24 3HG2 VAL 24 3.831 14.071 4.457 149 H SER 25 H SER 25 0.165 12.901 0.924 150 HA SER 25 HA SER 25 1.196 10.720 -0.458 151 HB2 SER 25 1HB SER 25 0.205 11.618 -2.368 152 HB3 SER 25 2HB SER 25 -0.723 12.380 -1.076 153 HG SER 25 HG SER 25 1.134 14.047 -1.359 154 H TYR 26 H TYR 26 3.006 10.333 -1.617 155 HA TYR 26 HA TYR 26 4.774 12.379 -2.517 156 HB2 TYR 26 1HB TYR 26 6.718 11.689 -1.098 157 HB3 TYR 26 2HB TYR 26 5.442 12.516 -0.212 158 HD1 TYR 26 HD1 TYR 26 6.263 8.996 -1.193 159 HD2 TYR 26 HD2 TYR 26 4.978 11.656 1.869 160 HE1 TYR 26 HE1 TYR 26 6.148 7.114 0.386 161 HE2 TYR 26 HE2 TYR 26 4.861 9.782 3.457 162 HH TYR 26 HH TYR 26 4.627 7.351 3.421 163 H GLY 27 H GLY 27 6.974 11.286 -3.183 164 HA2 GLY 27 1HA GLY 27 7.851 9.877 -4.789 165 HA3 GLY 27 2HA GLY 27 7.380 8.639 -3.634 166 H GLU 28 H GLU 28 6.823 7.091 -5.130 167 HA GLU 28 HA GLU 28 4.924 7.724 -7.227 168 HB2 GLU 28 1HB GLU 28 6.388 5.211 -6.442 169 HB3 GLU 28 2HB GLU 28 5.140 5.216 -7.680 170 HG2 GLU 28 1HG GLU 28 7.529 5.389 -8.475 171 HG3 GLU 28 2HG GLU 28 6.400 6.588 -9.103 172 H MET 29 H MET 29 2.792 7.345 -7.185 173 HA MET 29 HA MET 29 1.687 5.571 -5.138 174 HB2 MET 29 1HB MET 29 1.131 8.498 -5.431 175 HB3 MET 29 2HB MET 29 -0.152 7.429 -4.881 176 HG2 MET 29 1HG MET 29 1.233 6.701 -3.019 177 HG3 MET 29 2HG MET 29 2.544 7.735 -3.581 178 HE1 MET 29 1HE MET 29 -1.073 8.741 -1.122 179 HE2 MET 29 2HE MET 29 -0.595 7.206 -1.849 180 HE3 MET 29 3HE MET 29 0.347 7.886 -0.521 181 H ILE 30 H ILE 30 -0.133 4.491 -5.757 182 HA ILE 30 HA ILE 30 -1.037 4.968 -8.516 183 HB ILE 30 HB ILE 30 -1.598 2.693 -8.709 184 HG12 ILE 30 1HG1 ILE 30 -2.484 2.768 -6.199 185 HG13 ILE 30 2HG1 ILE 30 -2.099 1.248 -7.001 186 HG21 ILE 30 1HG2 ILE 30 0.469 1.512 -8.161 187 HG22 ILE 30 2HG2 ILE 30 0.802 3.116 -8.815 188 HG23 ILE 30 3HG2 ILE 30 0.936 2.825 -7.080 189 HD11 ILE 30 1HD1 ILE 30 -1.195 1.274 -4.767 190 HD12 ILE 30 2HD1 ILE 30 0.116 1.281 -5.946 191 HD13 ILE 30 3HD1 ILE 30 -0.323 2.768 -5.108 192 H GLY 31 H GLY 31 -3.314 4.613 -8.992 193 HA2 GLY 31 1HA GLY 31 -5.002 5.473 -6.735 194 HA3 GLY 31 2HA GLY 31 -5.338 5.799 -8.429 195 H CYS 32 H CYS 32 -5.983 3.786 -5.808 196 HA CYS 32 HA CYS 32 -6.473 1.293 -6.805 197 HB2 CYS 32 1HB CYS 32 -6.846 1.763 -4.478 198 HB3 CYS 32 2HB CYS 32 -8.131 2.905 -4.860 199 H ASP 33 H ASP 33 -7.437 0.721 -8.632 200 HA ASP 33 HA ASP 33 -8.999 2.125 -10.318 201 HB2 ASP 33 1HB ASP 33 -8.829 -0.778 -9.690 202 HB3 ASP 33 2HB ASP 33 -10.173 -0.250 -10.699 203 H ASN 34 H ASN 34 -10.117 0.435 -7.430 204 HA ASN 34 HA ASN 34 -12.880 0.791 -7.848 205 HB2 ASN 34 1HB ASN 34 -11.819 -0.776 -6.188 206 HB3 ASN 34 2HB ASN 34 -11.478 0.624 -5.175 207 HD21 ASN 34 1HD2 ASN 34 -12.839 0.707 -3.553 208 HD22 ASN 34 2HD2 ASN 34 -14.534 0.380 -3.623 209 H GLU 35 H GLU 35 -13.750 2.734 -8.203 210 HA GLU 35 HA GLU 35 -12.735 5.190 -7.361 211 HB2 GLU 35 1HB GLU 35 -15.391 4.259 -8.360 212 HB3 GLU 35 2HB GLU 35 -15.264 5.879 -7.690 213 HG2 GLU 35 1HG GLU 35 -13.397 6.305 -9.299 214 HG3 GLU 35 2HG GLU 35 -13.773 4.752 -10.044 215 H GLN 36 H GLN 36 -15.517 3.401 -6.024 216 HA GLN 36 HA GLN 36 -16.346 4.913 -3.991 217 HB2 GLN 36 1HB GLN 36 -17.181 2.644 -4.403 218 HB3 GLN 36 2HB GLN 36 -15.697 1.971 -3.740 219 HG2 GLN 36 1HG GLN 36 -17.302 3.811 -2.047 220 HG3 GLN 36 2HG GLN 36 -17.881 2.166 -2.298 221 HE21 GLN 36 1HE2 GLN 36 -16.049 4.092 -0.359 222 HE22 GLN 36 2HE2 GLN 36 -15.068 2.888 0.398 223 H CYS 37 H CYS 37 -13.342 3.048 -3.960 224 HA CYS 37 HA CYS 37 -12.479 3.240 -1.407 225 HB2 CYS 37 1HB CYS 37 -11.275 2.486 -3.654 226 HB3 CYS 37 2HB CYS 37 -10.512 4.064 -3.490 227 HA PRO 38 HA PRO 38 -12.721 7.655 -0.678 228 HB2 PRO 38 1HB PRO 38 -12.177 7.490 1.976 229 HB3 PRO 38 2HB PRO 38 -13.770 7.134 1.298 230 HG2 PRO 38 1HG PRO 38 -11.591 5.247 2.108 231 HG3 PRO 38 2HG PRO 38 -13.337 5.128 2.392 232 HD2 PRO 38 1HD PRO 38 -12.086 3.758 0.420 233 HD3 PRO 38 2HD PRO 38 -13.757 4.338 0.268 234 H ILE 39 H ILE 39 -10.091 5.588 -0.687 235 HA ILE 39 HA ILE 39 -8.225 7.735 0.075 236 HB ILE 39 HB ILE 39 -7.662 4.774 -0.129 237 HG12 ILE 39 1HG1 ILE 39 -7.890 6.461 2.368 238 HG13 ILE 39 2HG1 ILE 39 -9.209 5.478 1.741 239 HG21 ILE 39 1HG2 ILE 39 -5.527 5.258 0.820 240 HG22 ILE 39 2HG2 ILE 39 -5.751 6.326 -0.564 241 HG23 ILE 39 3HG2 ILE 39 -5.960 6.949 1.072 242 HD11 ILE 39 1HD1 ILE 39 -8.252 4.143 3.372 243 HD12 ILE 39 2HD1 ILE 39 -7.535 3.534 1.880 244 HD13 ILE 39 3HD1 ILE 39 -6.610 4.607 2.929 245 H GLU 40 H GLU 40 -8.643 5.090 -2.275 246 HA GLU 40 HA GLU 40 -7.590 4.747 -4.303 247 HB2 GLU 40 1HB GLU 40 -9.086 7.316 -4.361 248 HB3 GLU 40 2HB GLU 40 -8.065 6.950 -5.745 249 HG2 GLU 40 1HG GLU 40 -9.303 4.637 -5.637 250 HG3 GLU 40 2HG GLU 40 -10.522 5.583 -4.785 251 H TRP 41 H TRP 41 -5.714 5.622 -2.365 252 HA TRP 41 HA TRP 41 -3.646 6.568 -4.116 253 HB2 TRP 41 1HB TRP 41 -4.617 8.324 -1.856 254 HB3 TRP 41 2HB TRP 41 -3.045 8.516 -2.628 255 HD1 TRP 41 HD1 TRP 41 -6.413 9.859 -2.814 256 HE1 TRP 41 HE1 TRP 41 -6.839 11.035 -5.064 257 HE3 TRP 41 HE3 TRP 41 -2.416 8.055 -5.441 258 HZ2 TRP 41 HZ2 TRP 41 -5.638 11.178 -7.615 259 HZ3 TRP 41 HZ3 TRP 41 -2.127 8.760 -7.781 260 HH2 TRP 41 HH2 TRP 41 -3.706 10.289 -8.843 261 H PHE 42 H PHE 42 -2.001 5.291 -3.623 262 HA PHE 42 HA PHE 42 -1.238 4.936 -0.832 263 HB2 PHE 42 1HB PHE 42 -1.663 2.595 -2.701 264 HB3 PHE 42 2HB PHE 42 -1.031 2.504 -1.060 265 HD1 PHE 42 HD2 PHE 42 -2.509 2.999 0.859 266 HD2 PHE 42 HD1 PHE 42 -3.987 2.757 -3.126 267 HE1 PHE 42 HE2 PHE 42 -4.799 2.755 1.726 268 HE2 PHE 42 HE1 PHE 42 -6.279 2.514 -2.264 269 HZ PHE 42 HZ PHE 42 -6.687 2.511 0.164 270 H HIS 43 H HIS 43 0.944 4.240 -0.547 271 HA HIS 43 HA HIS 43 2.684 5.181 -2.646 272 HB2 HIS 43 1HB HIS 43 3.458 3.945 0.001 273 HB3 HIS 43 2HB HIS 43 4.466 4.946 -1.040 274 HD2 HIS 43 HD2 HIS 43 2.638 7.547 -1.432 275 HE1 HIS 43 HE1 HIS 43 2.274 7.561 2.795 276 HE2 HIS 43 HE2 HIS 43 1.945 8.879 0.674 277 H PHE 44 H PHE 44 4.673 3.895 -3.204 278 HA PHE 44 HA PHE 44 3.843 1.301 -4.151 279 HB2 PHE 44 1HB PHE 44 6.114 3.145 -4.655 280 HB3 PHE 44 2HB PHE 44 6.417 1.430 -4.917 281 HD1 PHE 44 HD2 PHE 44 3.543 3.717 -5.597 282 HD2 PHE 44 HD1 PHE 44 6.315 0.875 -7.133 283 HE1 PHE 44 HE2 PHE 44 2.473 3.871 -7.807 284 HE2 PHE 44 HE1 PHE 44 5.249 1.026 -9.345 285 HZ PHE 44 HZ PHE 44 3.325 2.525 -9.685 286 H SER 45 H SER 45 6.649 2.450 -2.270 287 HA SER 45 HA SER 45 7.740 0.050 -1.543 288 HB2 SER 45 1HB SER 45 8.567 2.404 -0.990 289 HB3 SER 45 2HB SER 45 7.499 2.337 0.412 290 HG SER 45 HG SER 45 9.155 0.149 0.060 291 H CYS 46 H CYS 46 5.073 1.750 0.059 292 HA CYS 46 HA CYS 46 4.735 -0.010 2.209 293 HB2 CYS 46 1HB CYS 46 2.968 1.958 0.811 294 HB3 CYS 46 2HB CYS 46 2.256 0.861 1.989 295 H VAL 47 H VAL 47 3.087 0.064 -0.946 296 HA VAL 47 HA VAL 47 1.766 -2.454 -0.415 297 HB VAL 47 HB VAL 47 0.831 -2.214 -2.677 298 HG11 VAL 47 1HG1 VAL 47 0.666 0.131 -0.808 299 HG12 VAL 47 2HG1 VAL 47 -0.328 0.022 -2.262 300 HG13 VAL 47 3HG1 VAL 47 -0.467 -1.206 -1.003 301 HG21 VAL 47 1HG2 VAL 47 2.830 -0.008 -2.816 302 HG22 VAL 47 2HG2 VAL 47 2.389 -1.206 -4.033 303 HG23 VAL 47 3HG2 VAL 47 1.315 0.153 -3.704 304 H SER 48 H SER 48 4.738 -2.295 -0.572 305 HA SER 48 HA SER 48 6.522 -3.331 -1.574 306 HB2 SER 48 1HB SER 48 5.259 -5.167 -0.394 307 HB3 SER 48 2HB SER 48 4.520 -5.568 -1.945 308 HG SER 48 HG SER 48 7.296 -5.587 -1.346 309 H LEU 49 H LEU 49 5.637 -1.631 -3.387 310 HA LEU 49 HA LEU 49 5.429 -3.166 -5.893 311 HB2 LEU 49 1HB LEU 49 4.224 -0.625 -4.978 312 HB3 LEU 49 2HB LEU 49 4.742 -0.692 -6.662 313 HG LEU 49 HG LEU 49 2.803 -2.616 -5.380 314 HD11 LEU 49 1HD1 LEU 49 2.129 -0.130 -5.694 315 HD12 LEU 49 2HD1 LEU 49 1.045 -1.403 -6.255 316 HD13 LEU 49 3HD1 LEU 49 2.070 -0.547 -7.407 317 HD21 LEU 49 1HD2 LEU 49 4.342 -2.909 -7.660 318 HD22 LEU 49 2HD2 LEU 49 2.782 -2.353 -8.269 319 HD23 LEU 49 3HD2 LEU 49 2.872 -3.801 -7.264 320 H THR 50 H THR 50 7.290 -3.279 -6.944 321 HA THR 50 HA THR 50 9.394 -1.349 -6.478 322 HB THR 50 HB THR 50 9.379 -3.698 -8.382 323 HG1 THR 50 HG1 THR 50 9.477 -4.822 -6.595 324 HG21 THR 50 1HG2 THR 50 11.099 -1.819 -8.662 325 HG22 THR 50 2HG2 THR 50 11.714 -3.465 -8.512 326 HG23 THR 50 3HG2 THR 50 11.768 -2.373 -7.128 327 H TYR 51 H TYR 51 7.085 -2.134 -8.983 328 HA TYR 51 HA TYR 51 7.683 0.361 -10.326 329 HB2 TYR 51 1HB TYR 51 7.819 -0.833 -12.569 330 HB3 TYR 51 2HB TYR 51 9.230 -0.976 -11.526 331 HD1 TYR 51 HD2 TYR 51 6.267 -2.759 -12.818 332 HD2 TYR 51 HD1 TYR 51 9.939 -3.093 -10.695 333 HE1 TYR 51 HE2 TYR 51 6.132 -5.209 -12.983 334 HE2 TYR 51 HE1 TYR 51 9.815 -5.545 -10.855 335 HH TYR 51 HH TYR 51 8.481 -7.201 -12.717 336 H LYS 52 H LYS 52 6.022 1.056 -11.731 337 HA LYS 52 HA LYS 52 3.456 0.747 -10.987 338 HB2 LYS 52 1HB LYS 52 4.728 1.460 -13.570 339 HB3 LYS 52 2HB LYS 52 3.010 1.087 -13.617 340 HG2 LYS 52 1HG LYS 52 3.956 2.976 -11.536 341 HG3 LYS 52 2HG LYS 52 3.907 3.538 -13.208 342 HD2 LYS 52 1HD LYS 52 1.610 3.319 -13.352 343 HD3 LYS 52 2HD LYS 52 1.539 2.131 -12.048 344 HE2 LYS 52 1HE LYS 52 1.791 3.769 -10.392 345 HE3 LYS 52 2HE LYS 52 2.379 4.968 -11.543 346 HZ1 LYS 52 1HZ LYS 52 0.081 4.786 -12.578 347 HZ2 LYS 52 2HZ LYS 52 0.193 5.589 -11.093 348 HZ3 LYS 52 3HZ LYS 52 -0.387 4.001 -11.154 349 HA PRO 53 HA PRO 53 2.556 -3.526 -11.877 350 HB2 PRO 53 1HB PRO 53 -0.015 -3.452 -11.006 351 HB3 PRO 53 2HB PRO 53 1.369 -3.526 -9.909 352 HG2 PRO 53 1HG PRO 53 -0.264 -1.159 -10.742 353 HG3 PRO 53 2HG PRO 53 0.338 -1.593 -9.131 354 HD2 PRO 53 1HD PRO 53 1.547 0.264 -10.687 355 HD3 PRO 53 2HD PRO 53 2.448 -0.771 -9.560 356 H LYS 54 H LYS 54 0.460 -4.610 -12.866 357 HA LYS 54 HA LYS 54 0.298 -3.863 -15.537 358 HB2 LYS 54 1HB LYS 54 -1.480 -5.468 -15.748 359 HB3 LYS 54 2HB LYS 54 -0.296 -6.101 -14.612 360 HG2 LYS 54 1HG LYS 54 -2.089 -6.541 -13.349 361 HG3 LYS 54 2HG LYS 54 -1.991 -4.830 -12.926 362 HD2 LYS 54 1HD LYS 54 -4.252 -5.298 -13.537 363 HD3 LYS 54 2HD LYS 54 -3.530 -4.355 -14.843 364 HE2 LYS 54 1HE LYS 54 -4.537 -5.989 -16.074 365 HE3 LYS 54 2HE LYS 54 -2.980 -6.765 -15.786 366 HZ1 LYS 54 1HZ LYS 54 -5.600 -7.363 -14.611 367 HZ2 LYS 54 2HZ LYS 54 -4.215 -7.666 -13.689 368 HZ3 LYS 54 3HZ LYS 54 -4.413 -8.421 -15.189 369 H GLY 55 H GLY 55 -2.086 -3.581 -16.536 370 HA2 GLY 55 1HA GLY 55 -2.796 -0.954 -16.325 371 HA3 GLY 55 2HA GLY 55 -3.918 -2.212 -16.822 372 H LYS 56 H LYS 56 -5.549 -2.799 -15.484 373 HA LYS 56 HA LYS 56 -6.384 -1.074 -13.465 374 HB2 LYS 56 1HB LYS 56 -7.157 -3.975 -13.830 375 HB3 LYS 56 2HB LYS 56 -8.062 -2.771 -12.923 376 HG2 LYS 56 1HG LYS 56 -8.354 -1.487 -15.027 377 HG3 LYS 56 2HG LYS 56 -7.575 -2.813 -15.893 378 HD2 LYS 56 1HD LYS 56 -9.916 -3.144 -16.105 379 HD3 LYS 56 2HD LYS 56 -9.345 -4.329 -14.928 380 HE2 LYS 56 1HE LYS 56 -10.157 -3.004 -13.107 381 HE3 LYS 56 2HE LYS 56 -10.539 -1.664 -14.186 382 HZ1 LYS 56 1HZ LYS 56 -12.545 -2.811 -13.686 383 HZ2 LYS 56 2HZ LYS 56 -11.873 -4.312 -14.081 384 HZ3 LYS 56 3HZ LYS 56 -12.155 -3.166 -15.294 385 H TRP 57 H TRP 57 -5.947 -0.890 -11.358 386 HA TRP 57 HA TRP 57 -4.631 -3.125 -9.981 387 HB2 TRP 57 1HB TRP 57 -2.908 -1.483 -10.704 388 HB3 TRP 57 2HB TRP 57 -3.742 -0.240 -9.774 389 HD1 TRP 57 HD1 TRP 57 -1.316 -3.108 -9.410 390 HE1 TRP 57 HE1 TRP 57 -0.506 -3.237 -6.971 391 HE3 TRP 57 HE3 TRP 57 -4.581 0.209 -7.294 392 HZ2 TRP 57 HZ2 TRP 57 -1.164 -2.086 -4.479 393 HZ3 TRP 57 HZ3 TRP 57 -4.424 0.638 -4.876 394 HH2 TRP 57 HH2 TRP 57 -2.751 -0.487 -3.499 395 H TYR 58 H TYR 58 -5.639 -3.621 -8.154 396 HA TYR 58 HA TYR 58 -7.348 -1.576 -6.901 397 HB2 TYR 58 1HB TYR 58 -7.605 -4.580 -7.015 398 HB3 TYR 58 2HB TYR 58 -8.541 -3.590 -5.900 399 HD1 TYR 58 HD1 TYR 58 -7.819 -4.061 -9.520 400 HD2 TYR 58 HD2 TYR 58 -10.545 -2.609 -6.594 401 HE1 TYR 58 HE1 TYR 58 -9.493 -3.674 -11.281 402 HE2 TYR 58 HE2 TYR 58 -12.227 -2.219 -8.346 403 HH TYR 58 HH TYR 58 -11.670 -3.214 -11.682 404 H CYS 59 H CYS 59 -7.096 -1.086 -4.787 405 HA CYS 59 HA CYS 59 -4.677 -1.609 -3.493 406 HB2 CYS 59 1HB CYS 59 -5.542 -0.408 -1.656 407 HB3 CYS 59 2HB CYS 59 -6.346 0.283 -3.061 408 HA PRO 60 HA PRO 60 -5.138 -5.506 -1.529 409 HB2 PRO 60 1HB PRO 60 -3.793 -5.102 0.794 410 HB3 PRO 60 2HB PRO 60 -2.985 -5.250 -0.771 411 HG2 PRO 60 1HG PRO 60 -3.683 -2.783 0.774 412 HG3 PRO 60 2HG PRO 60 -2.189 -3.171 -0.099 413 HD2 PRO 60 1HD PRO 60 -4.104 -1.560 -1.133 414 HD3 PRO 60 2HD PRO 60 -3.090 -2.608 -2.145 415 H LYS 61 H LYS 61 -6.746 -2.814 -0.468 416 HA LYS 61 HA LYS 61 -7.891 -4.111 1.896 417 HB2 LYS 61 1HB LYS 61 -7.683 -1.314 0.928 418 HB3 LYS 61 2HB LYS 61 -9.138 -1.728 1.824 419 HG2 LYS 61 1HG LYS 61 -7.904 -2.312 3.750 420 HG3 LYS 61 2HG LYS 61 -6.378 -2.299 2.862 421 HD2 LYS 61 1HD LYS 61 -6.439 -0.290 4.118 422 HD3 LYS 61 2HD LYS 61 -6.782 0.159 2.445 423 HE2 LYS 61 1HE LYS 61 -8.445 1.320 3.482 424 HE3 LYS 61 2HE LYS 61 -9.279 -0.216 3.248 425 HZ1 LYS 61 1HZ LYS 61 -9.241 0.958 5.569 426 HZ2 LYS 61 2HZ LYS 61 -7.748 0.177 5.716 427 HZ3 LYS 61 3HZ LYS 61 -9.153 -0.728 5.452 428 H CYS 62 H CYS 62 -8.618 -3.239 -1.377 429 HA CYS 62 HA CYS 62 -11.461 -3.823 -1.013 430 HB2 CYS 62 1HB CYS 62 -9.932 -2.789 -3.410 431 HB3 CYS 62 2HB CYS 62 -11.670 -3.070 -3.376 432 H ARG 63 H ARG 63 -8.575 -5.057 -2.584 433 HA ARG 63 HA ARG 63 -9.986 -7.163 -3.956 434 HB2 ARG 63 1HB ARG 63 -7.860 -7.838 -4.790 435 HB3 ARG 63 2HB ARG 63 -7.873 -6.079 -4.799 436 HG2 ARG 63 1HG ARG 63 -6.380 -5.930 -3.035 437 HG3 ARG 63 2HG ARG 63 -6.722 -7.569 -2.478 438 HD2 ARG 63 1HD ARG 63 -5.562 -7.219 -5.193 439 HD3 ARG 63 2HD ARG 63 -4.507 -6.972 -3.802 440 HE ARG 63 HE ARG 63 -5.783 -9.362 -3.343 441 HH11 ARG 63 1HH1 ARG 63 -3.727 -8.042 -5.823 442 HH12 ARG 63 2HH1 ARG 63 -3.031 -9.572 -6.243 443 HH21 ARG 63 1HH2 ARG 63 -4.874 -11.383 -3.887 444 HH22 ARG 63 2HH2 ARG 63 -3.685 -11.472 -5.141 445 H GLY 64 H GLY 64 -9.905 -6.847 -0.902 446 HA2 GLY 64 1HA GLY 64 -8.912 -9.559 -0.281 447 HA3 GLY 64 2HA GLY 64 -9.009 -8.248 0.885 448 H ASP 65 H ASP 65 -11.597 -7.315 0.230 449 HA ASP 65 HA ASP 65 -13.227 -8.668 1.920 450 HB2 ASP 65 1HB ASP 65 -13.642 -6.479 0.592 451 HB3 ASP 65 2HB ASP 65 -14.381 -7.532 -0.612 452 H SER 66 H SER 66 -13.789 -10.732 2.003 453 HA SER 66 HA SER 66 -13.452 -12.714 0.220 454 HB2 SER 66 1HB SER 66 -15.894 -12.458 1.991 455 HB3 SER 66 2HB SER 66 -15.250 -13.956 1.320 456 HG SER 66 HG SER 66 -13.962 -14.027 2.964 457 H GLY 67 H GLY 67 -14.723 -13.806 -1.351 458 HA2 GLY 67 1HA GLY 67 -16.630 -13.974 -2.781 459 HA3 GLY 67 2HA GLY 67 -16.976 -12.281 -2.463 460 HA PRO 68 HA PRO 68 -13.257 -12.285 -5.552 461 HB2 PRO 68 1HB PRO 68 -12.510 -14.689 -6.568 462 HB3 PRO 68 2HB PRO 68 -11.811 -14.010 -5.094 463 HG2 PRO 68 1HG PRO 68 -13.963 -16.069 -5.396 464 HG3 PRO 68 2HG PRO 68 -12.589 -16.043 -4.275 465 HD2 PRO 68 1HD PRO 68 -15.094 -15.338 -3.526 466 HD3 PRO 68 2HD PRO 68 -13.643 -14.599 -2.820 467 H SER 69 H SER 69 -14.740 -11.335 -6.931 468 HA SER 69 HA SER 69 -16.457 -12.989 -8.584 469 HB2 SER 69 1HB SER 69 -16.128 -10.036 -8.165 470 HB3 SER 69 2HB SER 69 -16.993 -10.631 -9.582 471 HG SER 69 HG SER 69 -17.705 -10.699 -6.900 472 H SER 70 H SER 70 -15.807 -13.835 -10.437 473 HA SER 70 HA SER 70 -13.553 -12.580 -11.851 474 HB2 SER 70 1HB SER 70 -13.587 -15.087 -10.995 475 HB3 SER 70 2HB SER 70 -14.477 -15.349 -12.495 476 HG SER 70 HG SER 70 -11.895 -15.205 -12.231 477 H GLY 71 H GLY 71 -14.072 -11.440 -13.589 478 HA2 GLY 71 1HA GLY 71 -15.273 -12.198 -15.863 479 HA3 GLY 71 2HA GLY 71 -16.658 -11.795 -14.859 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 25.690 9.968 -14.544 2 HA2 GLY 1 1HA GLY 1 24.430 9.132 -12.048 3 HA3 GLY 1 2HA GLY 1 25.944 8.527 -12.702 4 H SER 2 H SER 2 24.667 11.706 -11.702 5 HA SER 2 HA SER 2 27.215 12.178 -10.311 6 HB2 SER 2 1HB SER 2 26.511 13.796 -12.108 7 HB3 SER 2 2HB SER 2 25.140 14.237 -11.089 8 HG SER 2 HG SER 2 27.196 14.408 -9.523 9 H SER 3 H SER 3 27.271 12.735 -8.173 10 HA SER 3 HA SER 3 24.725 12.481 -6.715 11 HB2 SER 3 1HB SER 3 27.541 11.692 -6.012 12 HB3 SER 3 2HB SER 3 26.335 11.947 -4.750 13 HG SER 3 HG SER 3 25.028 10.381 -5.852 14 H GLY 4 H GLY 4 24.124 14.641 -6.728 15 HA2 GLY 4 1HA GLY 4 25.927 16.452 -5.243 16 HA3 GLY 4 2HA GLY 4 24.878 16.995 -6.544 17 H SER 5 H SER 5 23.134 18.032 -5.876 18 HA SER 5 HA SER 5 21.905 17.211 -3.327 19 HB2 SER 5 1HB SER 5 22.203 20.022 -4.412 20 HB3 SER 5 2HB SER 5 21.287 19.590 -2.968 21 HG SER 5 HG SER 5 23.760 20.227 -2.997 22 H SER 6 H SER 6 20.456 15.877 -4.504 23 HA SER 6 HA SER 6 18.294 17.396 -5.793 24 HB2 SER 6 1HB SER 6 19.641 14.894 -6.797 25 HB3 SER 6 2HB SER 6 18.005 15.325 -7.294 26 HG SER 6 HG SER 6 19.954 17.304 -7.475 27 H GLY 7 H GLY 7 17.128 17.291 -3.840 28 HA2 GLY 7 1HA GLY 7 15.136 15.602 -3.475 29 HA3 GLY 7 2HA GLY 7 16.447 14.640 -2.810 30 H GLU 8 H GLU 8 14.253 17.222 -2.273 31 HA GLU 8 HA GLU 8 15.315 17.520 0.455 32 HB2 GLU 8 1HB GLU 8 15.638 19.499 -1.253 33 HB3 GLU 8 2HB GLU 8 13.949 19.819 -0.883 34 HG2 GLU 8 1HG GLU 8 16.298 19.853 0.983 35 HG3 GLU 8 2HG GLU 8 15.212 21.176 0.562 36 H PHE 9 H PHE 9 13.787 16.026 1.216 37 HA PHE 9 HA PHE 9 10.986 16.356 0.722 38 HB2 PHE 9 1HB PHE 9 10.838 14.668 2.671 39 HB3 PHE 9 2HB PHE 9 11.606 14.142 1.176 40 HD1 PHE 9 HD2 PHE 9 12.237 15.266 4.630 41 HD2 PHE 9 HD1 PHE 9 13.880 13.503 1.121 42 HE1 PHE 9 HE2 PHE 9 14.256 14.644 5.891 43 HE2 PHE 9 HE1 PHE 9 15.901 12.877 2.378 44 HZ PHE 9 HZ PHE 9 16.091 13.448 4.765 45 H ALA 10 H ALA 10 9.380 16.963 2.230 46 HA ALA 10 HA ALA 10 10.234 18.290 4.680 47 HB1 ALA 10 1HB ALA 10 9.631 19.735 2.294 48 HB2 ALA 10 2HB ALA 10 8.394 20.076 3.504 49 HB3 ALA 10 3HB ALA 10 10.094 20.353 3.880 50 H ILE 11 H ILE 11 9.032 17.162 6.084 51 HA ILE 11 HA ILE 11 6.419 16.177 5.472 52 HB ILE 11 HB ILE 11 7.824 16.360 8.140 53 HG12 ILE 11 1HG1 ILE 11 7.488 13.862 6.509 54 HG13 ILE 11 2HG1 ILE 11 8.817 14.965 6.168 55 HG21 ILE 11 1HG2 ILE 11 6.196 14.935 9.030 56 HG22 ILE 11 2HG2 ILE 11 5.280 16.118 8.098 57 HG23 ILE 11 3HG2 ILE 11 5.570 14.509 7.438 58 HD11 ILE 11 1HD1 ILE 11 9.970 14.302 7.958 59 HD12 ILE 11 2HD1 ILE 11 8.541 14.280 8.992 60 HD13 ILE 11 3HD1 ILE 11 8.891 12.907 7.943 61 H ASP 12 H ASP 12 4.748 17.516 5.271 62 HA ASP 12 HA ASP 12 4.517 19.779 7.138 63 HB2 ASP 12 1HB ASP 12 4.519 20.033 4.520 64 HB3 ASP 12 2HB ASP 12 2.836 19.535 4.672 65 HA PRO 13 HA PRO 13 1.202 17.577 9.083 66 HB2 PRO 13 1HB PRO 13 0.315 19.624 10.630 67 HB3 PRO 13 2HB PRO 13 1.786 18.713 10.992 68 HG2 PRO 13 1HG PRO 13 1.488 21.376 9.657 69 HG3 PRO 13 2HG PRO 13 2.658 20.866 10.888 70 HD2 PRO 13 1HD PRO 13 3.281 21.011 8.257 71 HD3 PRO 13 2HD PRO 13 4.011 19.815 9.346 72 H ASN 14 H ASN 14 0.937 19.884 6.731 73 HA ASN 14 HA ASN 14 -1.870 20.476 6.986 74 HB2 ASN 14 1HB ASN 14 -0.033 21.922 5.865 75 HB3 ASN 14 2HB ASN 14 -0.264 20.866 4.474 76 HD21 ASN 14 1HD2 ASN 14 -1.085 23.745 5.664 77 HD22 ASN 14 2HD2 ASN 14 -2.640 23.957 4.942 78 H GLU 15 H GLU 15 0.042 18.724 4.532 79 HA GLU 15 HA GLU 15 -2.110 17.624 3.151 80 HB2 GLU 15 1HB GLU 15 0.379 17.656 2.523 81 HB3 GLU 15 2HB GLU 15 0.519 16.200 3.498 82 HG2 GLU 15 1HG GLU 15 0.270 15.568 1.211 83 HG3 GLU 15 2HG GLU 15 -1.204 15.136 2.076 84 HA PRO 16 HA PRO 16 -3.698 14.728 6.108 85 HB2 PRO 16 1HB PRO 16 -5.424 13.473 4.430 86 HB3 PRO 16 2HB PRO 16 -5.737 15.076 5.108 87 HG2 PRO 16 1HG PRO 16 -4.685 14.335 2.405 88 HG3 PRO 16 2HG PRO 16 -5.894 15.558 2.838 89 HD2 PRO 16 1HD PRO 16 -3.316 16.186 2.296 90 HD3 PRO 16 2HD PRO 16 -4.296 17.098 3.462 91 H THR 17 H THR 17 -4.448 12.214 5.686 92 HA THR 17 HA THR 17 -2.115 10.878 4.478 93 HB THR 17 HB THR 17 -2.220 9.176 6.245 94 HG1 THR 17 HG1 THR 17 -4.509 10.581 6.894 95 HG21 THR 17 1HG2 THR 17 -0.634 10.546 7.052 96 HG22 THR 17 2HG2 THR 17 -1.870 11.078 8.192 97 HG23 THR 17 3HG2 THR 17 -1.584 11.991 6.711 98 H TYR 18 H TYR 18 -2.615 9.461 2.946 99 HA TYR 18 HA TYR 18 -5.385 8.495 2.780 100 HB2 TYR 18 1HB TYR 18 -3.246 8.631 0.645 101 HB3 TYR 18 2HB TYR 18 -4.886 8.039 0.404 102 HD1 TYR 18 HD2 TYR 18 -2.982 11.068 1.437 103 HD2 TYR 18 HD1 TYR 18 -6.583 9.516 -0.214 104 HE1 TYR 18 HE2 TYR 18 -3.725 13.355 0.922 105 HE2 TYR 18 HE1 TYR 18 -7.336 11.799 -0.735 106 HH TYR 18 HH TYR 18 -5.781 14.574 0.506 107 H CYS 19 H CYS 19 -2.084 7.339 2.066 108 HA CYS 19 HA CYS 19 -2.532 4.675 1.747 109 HB2 CYS 19 1HB CYS 19 -0.311 6.017 1.745 110 HB3 CYS 19 2HB CYS 19 -0.231 5.587 3.451 111 H LEU 20 H LEU 20 -1.927 2.879 3.327 112 HA LEU 20 HA LEU 20 -3.772 2.958 5.499 113 HB2 LEU 20 1HB LEU 20 -1.652 0.888 4.962 114 HB3 LEU 20 2HB LEU 20 -3.116 0.691 5.922 115 HG LEU 20 HG LEU 20 -3.405 1.381 3.042 116 HD11 LEU 20 1HD1 LEU 20 -3.200 -0.919 2.362 117 HD12 LEU 20 2HD1 LEU 20 -2.815 -1.411 4.011 118 HD13 LEU 20 3HD1 LEU 20 -1.689 -0.398 3.108 119 HD21 LEU 20 1HD2 LEU 20 -5.004 0.305 5.225 120 HD22 LEU 20 2HD2 LEU 20 -5.156 -0.624 3.733 121 HD23 LEU 20 3HD2 LEU 20 -5.508 1.105 3.736 122 H CYS 21 H CYS 21 -0.277 3.196 5.204 123 HA CYS 21 HA CYS 21 0.378 2.933 7.924 124 HB2 CYS 21 1HB CYS 21 2.478 4.127 7.305 125 HB3 CYS 21 2HB CYS 21 2.097 2.781 6.235 126 H ASN 22 H ASN 22 -1.358 5.339 6.350 127 HA ASN 22 HA ASN 22 -2.256 7.306 7.063 128 HB2 ASN 22 1HB ASN 22 -2.184 5.912 9.311 129 HB3 ASN 22 2HB ASN 22 -0.946 7.088 9.740 130 HD21 ASN 22 1HD2 ASN 22 -4.296 6.537 9.176 131 HD22 ASN 22 2HD2 ASN 22 -4.858 8.093 9.677 132 H GLN 23 H GLN 23 -0.023 7.522 5.583 133 HA GLN 23 HA GLN 23 1.469 9.702 6.889 134 HB2 GLN 23 1HB GLN 23 2.409 7.497 5.092 135 HB3 GLN 23 2HB GLN 23 3.265 9.033 5.107 136 HG2 GLN 23 1HG GLN 23 2.715 7.485 7.616 137 HG3 GLN 23 2HG GLN 23 4.142 7.199 6.620 138 HE21 GLN 23 1HE2 GLN 23 3.223 8.635 9.324 139 HE22 GLN 23 2HE2 GLN 23 4.295 9.989 9.363 140 H VAL 24 H VAL 24 2.197 11.419 5.489 141 HA VAL 24 HA VAL 24 0.186 12.254 3.659 142 HB VAL 24 HB VAL 24 1.604 14.209 3.257 143 HG11 VAL 24 1HG1 VAL 24 0.266 13.675 5.489 144 HG12 VAL 24 2HG1 VAL 24 1.882 13.811 6.184 145 HG13 VAL 24 3HG1 VAL 24 1.192 15.162 5.283 146 HG21 VAL 24 1HG2 VAL 24 3.640 12.755 4.943 147 HG22 VAL 24 2HG2 VAL 24 3.775 13.112 3.221 148 HG23 VAL 24 3HG2 VAL 24 3.769 14.427 4.396 149 H SER 25 H SER 25 0.152 12.286 1.466 150 HA SER 25 HA SER 25 1.321 10.375 -0.059 151 HB2 SER 25 1HB SER 25 0.591 11.534 -1.964 152 HB3 SER 25 2HB SER 25 -0.475 12.131 -0.692 153 HG SER 25 HG SER 25 1.476 13.762 -0.574 154 H TYR 26 H TYR 26 3.112 10.193 -1.417 155 HA TYR 26 HA TYR 26 5.070 12.207 -1.743 156 HB2 TYR 26 1HB TYR 26 6.795 11.519 -0.286 157 HB3 TYR 26 2HB TYR 26 5.347 11.554 0.714 158 HD1 TYR 26 HD1 TYR 26 7.753 9.356 -1.008 159 HD2 TYR 26 HD2 TYR 26 4.467 9.554 1.689 160 HE1 TYR 26 HE1 TYR 26 8.157 7.020 -0.353 161 HE2 TYR 26 HE2 TYR 26 4.864 7.219 2.352 162 HH TYR 26 HH TYR 26 7.526 5.334 0.940 163 H GLY 27 H GLY 27 6.991 11.419 -2.885 164 HA2 GLY 27 1HA GLY 27 7.915 10.225 -4.615 165 HA3 GLY 27 2HA GLY 27 7.445 8.805 -3.693 166 H GLU 28 H GLU 28 6.448 7.421 -4.992 167 HA GLU 28 HA GLU 28 4.548 8.485 -6.975 168 HB2 GLU 28 1HB GLU 28 4.906 6.366 -8.206 169 HB3 GLU 28 2HB GLU 28 6.379 7.310 -8.031 170 HG2 GLU 28 1HG GLU 28 6.608 5.755 -5.870 171 HG3 GLU 28 2HG GLU 28 5.661 4.682 -6.899 172 H MET 29 H MET 29 2.476 7.770 -7.007 173 HA MET 29 HA MET 29 1.725 5.578 -5.209 174 HB2 MET 29 1HB MET 29 0.765 8.404 -5.116 175 HB3 MET 29 2HB MET 29 -0.372 7.117 -4.737 176 HG2 MET 29 1HG MET 29 1.069 6.326 -2.961 177 HG3 MET 29 2HG MET 29 2.276 7.543 -3.372 178 HE1 MET 29 1HE MET 29 0.128 6.446 -1.063 179 HE2 MET 29 2HE MET 29 -0.445 7.823 -0.123 180 HE3 MET 29 3HE MET 29 -1.420 7.196 -1.452 181 H ILE 30 H ILE 30 -0.200 4.495 -5.768 182 HA ILE 30 HA ILE 30 -1.036 4.956 -8.551 183 HB ILE 30 HB ILE 30 -1.520 2.681 -8.774 184 HG12 ILE 30 1HG1 ILE 30 -2.812 2.446 -6.685 185 HG13 ILE 30 2HG1 ILE 30 -1.693 1.107 -6.914 186 HG21 ILE 30 1HG2 ILE 30 0.931 3.057 -7.081 187 HG22 ILE 30 2HG2 ILE 30 0.513 1.502 -7.798 188 HG23 ILE 30 3HG2 ILE 30 0.818 2.896 -8.833 189 HD11 ILE 30 1HD1 ILE 30 -1.679 3.270 -4.890 190 HD12 ILE 30 2HD1 ILE 30 -1.331 1.550 -4.718 191 HD13 ILE 30 3HD1 ILE 30 -0.130 2.625 -5.431 192 H GLY 31 H GLY 31 -3.264 4.736 -9.109 193 HA2 GLY 31 1HA GLY 31 -5.037 5.538 -6.906 194 HA3 GLY 31 2HA GLY 31 -5.326 5.838 -8.613 195 H CYS 32 H CYS 32 -6.001 3.835 -5.980 196 HA CYS 32 HA CYS 32 -6.449 1.332 -6.938 197 HB2 CYS 32 1HB CYS 32 -6.920 1.960 -4.628 198 HB3 CYS 32 2HB CYS 32 -8.292 2.931 -5.150 199 H ASP 33 H ASP 33 -7.563 0.478 -8.557 200 HA ASP 33 HA ASP 33 -9.011 1.905 -10.423 201 HB2 ASP 33 1HB ASP 33 -8.107 -0.397 -10.741 202 HB3 ASP 33 2HB ASP 33 -9.418 -1.012 -9.739 203 H ASN 34 H ASN 34 -10.165 0.234 -7.536 204 HA ASN 34 HA ASN 34 -12.920 0.489 -8.026 205 HB2 ASN 34 1HB ASN 34 -11.886 -0.984 -6.288 206 HB3 ASN 34 2HB ASN 34 -11.550 0.454 -5.329 207 HD21 ASN 34 1HD2 ASN 34 -12.887 0.429 -3.671 208 HD22 ASN 34 2HD2 ASN 34 -14.592 0.160 -3.748 209 H GLU 35 H GLU 35 -14.135 2.247 -8.153 210 HA GLU 35 HA GLU 35 -13.170 4.837 -7.563 211 HB2 GLU 35 1HB GLU 35 -14.985 4.161 -9.238 212 HB3 GLU 35 2HB GLU 35 -16.078 4.115 -7.863 213 HG2 GLU 35 1HG GLU 35 -14.452 6.562 -8.304 214 HG3 GLU 35 2HG GLU 35 -15.839 6.262 -9.349 215 H GLN 36 H GLN 36 -15.829 3.010 -6.037 216 HA GLN 36 HA GLN 36 -16.580 4.575 -4.009 217 HB2 GLN 36 1HB GLN 36 -17.264 2.169 -4.442 218 HB3 GLN 36 2HB GLN 36 -15.864 1.691 -3.492 219 HG2 GLN 36 1HG GLN 36 -17.917 3.564 -2.382 220 HG3 GLN 36 2HG GLN 36 -18.153 1.817 -2.342 221 HE21 GLN 36 1HE2 GLN 36 -16.721 0.540 -1.118 222 HE22 GLN 36 2HE2 GLN 36 -15.787 1.220 0.166 223 H CYS 37 H CYS 37 -13.557 2.747 -4.084 224 HA CYS 37 HA CYS 37 -12.587 3.004 -1.569 225 HB2 CYS 37 1HB CYS 37 -11.465 2.117 -3.761 226 HB3 CYS 37 2HB CYS 37 -10.780 3.737 -3.847 227 HA PRO 38 HA PRO 38 -12.872 7.471 -1.065 228 HB2 PRO 38 1HB PRO 38 -12.487 7.413 1.622 229 HB3 PRO 38 2HB PRO 38 -14.046 7.061 0.867 230 HG2 PRO 38 1HG PRO 38 -11.964 5.167 1.886 231 HG3 PRO 38 2HG PRO 38 -13.727 5.098 2.072 232 HD2 PRO 38 1HD PRO 38 -12.396 3.615 0.238 233 HD3 PRO 38 2HD PRO 38 -14.041 4.223 -0.037 234 H ILE 39 H ILE 39 -10.297 5.357 -0.853 235 HA ILE 39 HA ILE 39 -8.422 7.432 0.046 236 HB ILE 39 HB ILE 39 -7.961 4.471 -0.336 237 HG12 ILE 39 1HG1 ILE 39 -8.111 6.076 2.222 238 HG13 ILE 39 2HG1 ILE 39 -9.441 5.117 1.582 239 HG21 ILE 39 1HG2 ILE 39 -5.783 4.876 -0.229 240 HG22 ILE 39 2HG2 ILE 39 -6.121 6.606 -0.255 241 HG23 ILE 39 3HG2 ILE 39 -5.996 5.756 1.285 242 HD11 ILE 39 1HD1 ILE 39 -6.919 4.249 2.869 243 HD12 ILE 39 2HD1 ILE 39 -8.560 3.628 3.049 244 HD13 ILE 39 3HD1 ILE 39 -7.612 3.215 1.620 245 H GLU 40 H GLU 40 -8.763 4.962 -2.502 246 HA GLU 40 HA GLU 40 -7.687 4.768 -4.528 247 HB2 GLU 40 1HB GLU 40 -9.067 7.400 -4.416 248 HB3 GLU 40 2HB GLU 40 -8.017 7.099 -5.793 249 HG2 GLU 40 1HG GLU 40 -9.280 5.048 -6.282 250 HG3 GLU 40 2HG GLU 40 -10.359 5.414 -4.937 251 H TRP 41 H TRP 41 -5.901 5.526 -2.381 252 HA TRP 41 HA TRP 41 -3.716 6.497 -4.001 253 HB2 TRP 41 1HB TRP 41 -4.680 8.048 -1.591 254 HB3 TRP 41 2HB TRP 41 -3.099 8.273 -2.335 255 HD1 TRP 41 HD1 TRP 41 -6.339 9.829 -2.341 256 HE1 TRP 41 HE1 TRP 41 -6.754 11.194 -4.483 257 HE3 TRP 41 HE3 TRP 41 -2.591 7.929 -5.253 258 HZ2 TRP 41 HZ2 TRP 41 -5.640 11.434 -7.066 259 HZ3 TRP 41 HZ3 TRP 41 -2.334 8.780 -7.547 260 HH2 TRP 41 HH2 TRP 41 -3.828 10.495 -8.433 261 H PHE 42 H PHE 42 -2.108 5.150 -3.580 262 HA PHE 42 HA PHE 42 -1.480 4.467 -0.815 263 HB2 PHE 42 1HB PHE 42 -1.882 2.365 -2.954 264 HB3 PHE 42 2HB PHE 42 -1.304 2.069 -1.318 265 HD1 PHE 42 HD2 PHE 42 -2.817 2.216 0.583 266 HD2 PHE 42 HD1 PHE 42 -4.200 2.790 -3.401 267 HE1 PHE 42 HE2 PHE 42 -5.136 1.930 1.351 268 HE2 PHE 42 HE1 PHE 42 -6.523 2.506 -2.639 269 HZ PHE 42 HZ PHE 42 -6.993 2.074 -0.261 270 H HIS 43 H HIS 43 0.675 4.026 -0.452 271 HA HIS 43 HA HIS 43 2.512 5.031 -2.387 272 HB2 HIS 43 1HB HIS 43 3.099 3.563 0.192 273 HB3 HIS 43 2HB HIS 43 4.230 4.553 -0.727 274 HD2 HIS 43 HD2 HIS 43 2.367 7.223 -1.097 275 HE1 HIS 43 HE1 HIS 43 2.136 7.136 3.139 276 HE2 HIS 43 HE2 HIS 43 1.748 8.507 1.062 277 H PHE 44 H PHE 44 4.481 3.825 -3.056 278 HA PHE 44 HA PHE 44 3.700 1.302 -4.220 279 HB2 PHE 44 1HB PHE 44 6.013 3.169 -4.523 280 HB3 PHE 44 2HB PHE 44 6.204 1.501 -5.051 281 HD1 PHE 44 HD2 PHE 44 3.415 3.971 -5.271 282 HD2 PHE 44 HD1 PHE 44 6.057 1.346 -7.330 283 HE1 PHE 44 HE2 PHE 44 2.300 4.521 -7.394 284 HE2 PHE 44 HE1 PHE 44 4.946 1.892 -9.457 285 HZ PHE 44 HZ PHE 44 3.065 3.480 -9.491 286 H SER 45 H SER 45 6.436 2.371 -2.196 287 HA SER 45 HA SER 45 7.591 -0.070 -1.685 288 HB2 SER 45 1HB SER 45 7.332 2.360 0.092 289 HB3 SER 45 2HB SER 45 8.323 0.964 0.518 290 HG SER 45 HG SER 45 9.379 1.324 -1.572 291 H CYS 46 H CYS 46 4.834 1.420 -0.053 292 HA CYS 46 HA CYS 46 4.553 -0.535 1.968 293 HB2 CYS 46 1HB CYS 46 2.715 1.530 0.791 294 HB3 CYS 46 2HB CYS 46 2.119 0.372 1.975 295 H VAL 47 H VAL 47 2.918 -0.117 -1.162 296 HA VAL 47 HA VAL 47 1.538 -2.646 -0.884 297 HB VAL 47 HB VAL 47 0.639 -2.162 -3.134 298 HG11 VAL 47 1HG1 VAL 47 0.423 -0.203 -0.900 299 HG12 VAL 47 2HG1 VAL 47 -0.395 0.145 -2.425 300 HG13 VAL 47 3HG1 VAL 47 -0.778 -1.328 -1.534 301 HG21 VAL 47 1HG2 VAL 47 2.055 -0.969 -4.423 302 HG22 VAL 47 2HG2 VAL 47 1.202 0.409 -3.727 303 HG23 VAL 47 3HG2 VAL 47 2.748 -0.105 -3.051 304 H SER 48 H SER 48 4.508 -2.544 -1.007 305 HA SER 48 HA SER 48 6.280 -3.485 -2.128 306 HB2 SER 48 1HB SER 48 4.952 -5.391 -1.081 307 HB3 SER 48 2HB SER 48 4.299 -5.694 -2.691 308 HG SER 48 HG SER 48 6.046 -6.945 -2.684 309 H LEU 49 H LEU 49 5.447 -1.654 -3.799 310 HA LEU 49 HA LEU 49 5.191 -2.996 -6.410 311 HB2 LEU 49 1HB LEU 49 3.979 -0.532 -5.303 312 HB3 LEU 49 2HB LEU 49 4.466 -0.490 -6.997 313 HG LEU 49 HG LEU 49 2.492 -2.398 -5.745 314 HD11 LEU 49 1HD1 LEU 49 1.364 -0.961 -7.863 315 HD12 LEU 49 2HD1 LEU 49 2.242 0.222 -6.895 316 HD13 LEU 49 3HD1 LEU 49 1.013 -0.795 -6.143 317 HD21 LEU 49 1HD2 LEU 49 2.786 -3.738 -7.486 318 HD22 LEU 49 2HD2 LEU 49 4.097 -2.707 -8.060 319 HD23 LEU 49 3HD2 LEU 49 2.440 -2.405 -8.587 320 H THR 50 H THR 50 6.837 -2.788 -7.775 321 HA THR 50 HA THR 50 9.026 -0.991 -7.075 322 HB THR 50 HB THR 50 8.886 -3.153 -9.185 323 HG1 THR 50 HG1 THR 50 10.490 -4.038 -7.530 324 HG21 THR 50 1HG2 THR 50 11.008 -1.216 -8.381 325 HG22 THR 50 2HG2 THR 50 10.578 -1.813 -9.983 326 HG23 THR 50 3HG2 THR 50 11.481 -2.841 -8.872 327 H TYR 51 H TYR 51 6.694 -1.554 -9.645 328 HA TYR 51 HA TYR 51 7.302 1.095 -10.717 329 HB2 TYR 51 1HB TYR 51 7.052 0.038 -13.066 330 HB3 TYR 51 2HB TYR 51 8.592 -0.132 -12.231 331 HD1 TYR 51 HD2 TYR 51 5.461 -1.900 -13.107 332 HD2 TYR 51 HD1 TYR 51 9.449 -2.268 -11.671 333 HE1 TYR 51 HE2 TYR 51 5.318 -4.342 -13.356 334 HE2 TYR 51 HE1 TYR 51 9.318 -4.712 -11.917 335 HH TYR 51 HH TYR 51 6.325 -6.295 -12.968 336 H LYS 52 H LYS 52 5.591 2.029 -11.931 337 HA LYS 52 HA LYS 52 3.023 1.502 -10.940 338 HB2 LYS 52 1HB LYS 52 4.078 3.616 -12.134 339 HB3 LYS 52 2HB LYS 52 3.356 2.889 -13.563 340 HG2 LYS 52 1HG LYS 52 1.688 3.243 -11.122 341 HG3 LYS 52 2HG LYS 52 2.040 4.641 -12.141 342 HD2 LYS 52 1HD LYS 52 0.852 3.810 -13.923 343 HD3 LYS 52 2HD LYS 52 1.078 2.131 -13.429 344 HE2 LYS 52 1HE LYS 52 -1.215 2.678 -13.082 345 HE3 LYS 52 2HE LYS 52 -0.447 2.584 -11.498 346 HZ1 LYS 52 1HZ LYS 52 -1.910 4.509 -11.693 347 HZ2 LYS 52 2HZ LYS 52 -0.994 5.094 -12.990 348 HZ3 LYS 52 3HZ LYS 52 -0.305 4.985 -11.449 349 HA PRO 53 HA PRO 53 2.087 -2.026 -13.523 350 HB2 PRO 53 1HB PRO 53 -0.356 -2.494 -12.435 351 HB3 PRO 53 2HB PRO 53 1.153 -2.969 -11.647 352 HG2 PRO 53 1HG PRO 53 -0.575 -0.576 -11.145 353 HG3 PRO 53 2HG PRO 53 0.222 -1.645 -9.977 354 HD2 PRO 53 1HD PRO 53 1.227 0.775 -10.657 355 HD3 PRO 53 2HD PRO 53 2.262 -0.600 -10.220 356 H LYS 54 H LYS 54 0.751 -2.429 -15.283 357 HA LYS 54 HA LYS 54 -0.841 -0.126 -16.182 358 HB2 LYS 54 1HB LYS 54 -0.459 -0.866 -18.434 359 HB3 LYS 54 2HB LYS 54 1.088 -0.843 -17.598 360 HG2 LYS 54 1HG LYS 54 -0.399 -3.399 -17.585 361 HG3 LYS 54 2HG LYS 54 0.292 -2.875 -19.123 362 HD2 LYS 54 1HD LYS 54 1.966 -2.818 -16.647 363 HD3 LYS 54 2HD LYS 54 1.698 -4.347 -17.487 364 HE2 LYS 54 1HE LYS 54 3.574 -3.667 -18.580 365 HE3 LYS 54 2HE LYS 54 2.367 -2.871 -19.588 366 HZ1 LYS 54 1HZ LYS 54 4.443 -1.610 -18.513 367 HZ2 LYS 54 2HZ LYS 54 3.301 -1.357 -17.292 368 HZ3 LYS 54 3HZ LYS 54 2.978 -0.843 -18.871 369 H GLY 55 H GLY 55 -2.900 -0.431 -17.088 370 HA2 GLY 55 1HA GLY 55 -4.734 -1.810 -17.768 371 HA3 GLY 55 2HA GLY 55 -4.081 -3.106 -16.777 372 H LYS 56 H LYS 56 -4.607 -3.230 -14.625 373 HA LYS 56 HA LYS 56 -6.181 -1.086 -13.430 374 HB2 LYS 56 1HB LYS 56 -7.990 -2.587 -12.770 375 HB3 LYS 56 2HB LYS 56 -7.842 -2.527 -14.522 376 HG2 LYS 56 1HG LYS 56 -6.494 -4.651 -14.363 377 HG3 LYS 56 2HG LYS 56 -6.987 -4.734 -12.670 378 HD2 LYS 56 1HD LYS 56 -9.348 -4.700 -13.387 379 HD3 LYS 56 2HD LYS 56 -8.818 -4.694 -15.070 380 HE2 LYS 56 1HE LYS 56 -9.190 -6.934 -14.753 381 HE3 LYS 56 2HE LYS 56 -7.483 -6.827 -14.324 382 HZ1 LYS 56 1HZ LYS 56 -9.786 -7.374 -12.642 383 HZ2 LYS 56 2HZ LYS 56 -8.612 -6.363 -11.964 384 HZ3 LYS 56 3HZ LYS 56 -8.188 -7.911 -12.500 385 H TRP 57 H TRP 57 -5.861 -0.891 -11.279 386 HA TRP 57 HA TRP 57 -4.543 -3.102 -9.863 387 HB2 TRP 57 1HB TRP 57 -2.862 -1.391 -10.581 388 HB3 TRP 57 2HB TRP 57 -3.722 -0.203 -9.606 389 HD1 TRP 57 HD1 TRP 57 -1.364 -3.178 -9.311 390 HE1 TRP 57 HE1 TRP 57 -0.484 -3.308 -6.896 391 HE3 TRP 57 HE3 TRP 57 -4.364 0.360 -7.163 392 HZ2 TRP 57 HZ2 TRP 57 -0.995 -2.074 -4.409 393 HZ3 TRP 57 HZ3 TRP 57 -4.105 0.825 -4.760 394 HH2 TRP 57 HH2 TRP 57 -2.455 -0.368 -3.413 395 H TYR 58 H TYR 58 -5.802 -3.672 -8.226 396 HA TYR 58 HA TYR 58 -7.470 -1.624 -6.936 397 HB2 TYR 58 1HB TYR 58 -7.747 -4.627 -7.091 398 HB3 TYR 58 2HB TYR 58 -8.740 -3.622 -6.042 399 HD1 TYR 58 HD1 TYR 58 -7.836 -4.208 -9.595 400 HD2 TYR 58 HD2 TYR 58 -10.649 -2.534 -6.877 401 HE1 TYR 58 HE1 TYR 58 -9.392 -3.814 -11.458 402 HE2 TYR 58 HE2 TYR 58 -12.213 -2.136 -8.732 403 HH TYR 58 HH TYR 58 -11.324 -2.233 -11.939 404 H CYS 59 H CYS 59 -6.705 -0.852 -5.093 405 HA CYS 59 HA CYS 59 -4.540 -1.547 -3.664 406 HB2 CYS 59 1HB CYS 59 -5.364 -0.290 -1.873 407 HB3 CYS 59 2HB CYS 59 -6.252 0.349 -3.252 408 HA PRO 60 HA PRO 60 -5.070 -5.441 -1.711 409 HB2 PRO 60 1HB PRO 60 -3.729 -5.062 0.618 410 HB3 PRO 60 2HB PRO 60 -2.916 -5.220 -0.943 411 HG2 PRO 60 1HG PRO 60 -3.583 -2.745 0.604 412 HG3 PRO 60 2HG PRO 60 -2.091 -3.154 -0.264 413 HD2 PRO 60 1HD PRO 60 -3.977 -1.512 -1.303 414 HD3 PRO 60 2HD PRO 60 -2.975 -2.574 -2.312 415 H LYS 61 H LYS 61 -6.475 -2.637 -0.470 416 HA LYS 61 HA LYS 61 -7.696 -3.946 1.828 417 HB2 LYS 61 1HB LYS 61 -6.893 -1.396 1.479 418 HB3 LYS 61 2HB LYS 61 -8.579 -1.240 1.003 419 HG2 LYS 61 1HG LYS 61 -8.943 -2.585 3.261 420 HG3 LYS 61 2HG LYS 61 -7.398 -1.827 3.655 421 HD2 LYS 61 1HD LYS 61 -8.439 0.366 2.950 422 HD3 LYS 61 2HD LYS 61 -9.987 -0.481 2.905 423 HE2 LYS 61 1HE LYS 61 -8.216 -0.487 5.335 424 HE3 LYS 61 2HE LYS 61 -9.411 0.777 5.044 425 HZ1 LYS 61 1HZ LYS 61 -10.676 -1.676 4.674 426 HZ2 LYS 61 2HZ LYS 61 -10.937 -0.550 5.908 427 HZ3 LYS 61 3HZ LYS 61 -9.805 -1.789 6.120 428 H CYS 62 H CYS 62 -8.410 -3.156 -1.453 429 HA CYS 62 HA CYS 62 -11.273 -3.617 -1.072 430 HB2 CYS 62 1HB CYS 62 -9.632 -2.610 -3.391 431 HB3 CYS 62 2HB CYS 62 -11.321 -3.070 -3.577 432 H ARG 63 H ARG 63 -8.445 -5.006 -2.638 433 HA ARG 63 HA ARG 63 -9.951 -7.140 -3.864 434 HB2 ARG 63 1HB ARG 63 -7.837 -7.932 -4.690 435 HB3 ARG 63 2HB ARG 63 -7.881 -6.184 -4.876 436 HG2 ARG 63 1HG ARG 63 -6.325 -5.834 -3.199 437 HG3 ARG 63 2HG ARG 63 -6.622 -7.409 -2.460 438 HD2 ARG 63 1HD ARG 63 -4.511 -7.545 -3.532 439 HD3 ARG 63 2HD ARG 63 -5.649 -8.445 -4.534 440 HE ARG 63 HE ARG 63 -5.707 -6.051 -5.703 441 HH11 ARG 63 1HH1 ARG 63 -3.031 -7.999 -4.626 442 HH12 ARG 63 2HH1 ARG 63 -1.941 -7.403 -5.834 443 HH21 ARG 63 1HH2 ARG 63 -4.282 -5.259 -7.299 444 HH22 ARG 63 2HH2 ARG 63 -2.654 -5.844 -7.353 445 H GLY 64 H GLY 64 -9.956 -6.767 -0.892 446 HA2 GLY 64 1HA GLY 64 -10.088 -8.160 0.931 447 HA3 GLY 64 2HA GLY 64 -9.879 -9.508 -0.177 448 H ASP 65 H ASP 65 -8.128 -10.696 0.136 449 HA ASP 65 HA ASP 65 -6.295 -10.558 2.060 450 HB2 ASP 65 1HB ASP 65 -5.254 -11.230 -0.670 451 HB3 ASP 65 2HB ASP 65 -4.949 -12.035 0.867 452 H SER 66 H SER 66 -4.591 -9.368 2.680 453 HA SER 66 HA SER 66 -4.007 -6.951 1.198 454 HB2 SER 66 1HB SER 66 -4.227 -7.275 3.800 455 HB3 SER 66 2HB SER 66 -2.530 -7.741 3.683 456 HG SER 66 HG SER 66 -2.097 -5.700 3.589 457 H GLY 67 H GLY 67 -2.578 -10.060 1.745 458 HA2 GLY 67 1HA GLY 67 -0.339 -9.276 0.005 459 HA3 GLY 67 2HA GLY 67 -0.004 -10.105 1.518 460 HA PRO 68 HA PRO 68 -0.559 -14.033 -0.336 461 HB2 PRO 68 1HB PRO 68 -2.044 -15.413 1.469 462 HB3 PRO 68 2HB PRO 68 -0.352 -14.984 1.745 463 HG2 PRO 68 1HG PRO 68 -2.834 -13.644 2.749 464 HG3 PRO 68 2HG PRO 68 -1.329 -14.004 3.614 465 HD2 PRO 68 1HD PRO 68 -1.894 -11.544 2.634 466 HD3 PRO 68 2HD PRO 68 -0.237 -12.175 2.733 467 H SER 69 H SER 69 -2.458 -15.855 -0.514 468 HA SER 69 HA SER 69 -4.797 -14.436 -1.612 469 HB2 SER 69 1HB SER 69 -3.494 -16.971 -2.636 470 HB3 SER 69 2HB SER 69 -4.951 -16.233 -3.302 471 HG SER 69 HG SER 69 -3.478 -14.288 -3.488 472 H SER 70 H SER 70 -3.733 -17.602 -0.375 473 HA SER 70 HA SER 70 -6.152 -18.826 0.005 474 HB2 SER 70 1HB SER 70 -5.071 -20.060 1.887 475 HB3 SER 70 2HB SER 70 -4.070 -19.991 0.437 476 HG SER 70 HG SER 70 -2.622 -18.951 1.537 477 H GLY 71 H GLY 71 -7.803 -18.745 1.449 478 HA2 GLY 71 1HA GLY 71 -8.280 -18.084 3.879 479 HA3 GLY 71 2HA GLY 71 -7.739 -16.496 3.354 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -8.252 29.016 -18.266 2 HA2 GLY 1 1HA GLY 1 -8.359 26.233 -17.454 3 HA3 GLY 1 2HA GLY 1 -8.227 26.494 -19.186 4 H SER 2 H SER 2 -6.318 25.159 -17.536 5 HA SER 2 HA SER 2 -3.958 26.535 -18.378 6 HB2 SER 2 1HB SER 2 -4.684 27.613 -16.126 7 HB3 SER 2 2HB SER 2 -4.108 26.111 -15.404 8 HG SER 2 HG SER 2 -2.680 28.140 -16.689 9 H SER 3 H SER 3 -1.950 25.322 -17.489 10 HA SER 3 HA SER 3 -2.498 22.503 -16.964 11 HB2 SER 3 1HB SER 3 -0.953 23.514 -19.359 12 HB3 SER 3 2HB SER 3 -0.873 21.850 -18.782 13 HG SER 3 HG SER 3 -3.088 23.242 -19.851 14 H GLY 4 H GLY 4 -1.408 22.222 -15.123 15 HA2 GLY 4 1HA GLY 4 1.235 21.890 -14.818 16 HA3 GLY 4 2HA GLY 4 1.084 23.631 -14.637 17 H SER 5 H SER 5 0.983 20.669 -13.058 18 HA SER 5 HA SER 5 -0.088 21.964 -10.645 19 HB2 SER 5 1HB SER 5 -1.792 20.429 -11.586 20 HB3 SER 5 2HB SER 5 -0.635 19.103 -11.474 21 HG SER 5 HG SER 5 -1.798 18.984 -9.631 22 H SER 6 H SER 6 0.993 21.559 -8.771 23 HA SER 6 HA SER 6 2.774 19.388 -8.384 24 HB2 SER 6 1HB SER 6 4.900 20.603 -8.384 25 HB3 SER 6 2HB SER 6 4.151 20.681 -9.978 26 HG SER 6 HG SER 6 4.777 22.690 -8.262 27 H GLY 7 H GLY 7 4.309 19.972 -6.414 28 HA2 GLY 7 1HA GLY 7 3.049 21.861 -4.583 29 HA3 GLY 7 2HA GLY 7 2.971 20.165 -4.129 30 H GLU 8 H GLU 8 4.171 20.782 -2.226 31 HA GLU 8 HA GLU 8 7.059 20.896 -2.769 32 HB2 GLU 8 1HB GLU 8 7.427 22.470 -1.016 33 HB3 GLU 8 2HB GLU 8 6.153 23.125 -2.035 34 HG2 GLU 8 1HG GLU 8 5.374 21.515 0.336 35 HG3 GLU 8 2HG GLU 8 5.979 23.151 0.589 36 H PHE 9 H PHE 9 8.397 19.933 -1.160 37 HA PHE 9 HA PHE 9 7.068 17.735 0.209 38 HB2 PHE 9 1HB PHE 9 10.039 18.210 0.152 39 HB3 PHE 9 2HB PHE 9 9.173 16.687 0.324 40 HD1 PHE 9 HD1 PHE 9 7.814 15.878 -1.692 41 HD2 PHE 9 HD2 PHE 9 10.802 18.900 -1.925 42 HE1 PHE 9 HE1 PHE 9 8.010 15.493 -4.114 43 HE2 PHE 9 HE2 PHE 9 11.003 18.520 -4.347 44 HZ PHE 9 HZ PHE 9 9.605 16.816 -5.446 45 H ALA 10 H ALA 10 6.130 18.600 2.023 46 HA ALA 10 HA ALA 10 7.963 19.309 4.168 47 HB1 ALA 10 1HB ALA 10 5.719 21.132 3.310 48 HB2 ALA 10 2HB ALA 10 6.645 21.300 4.802 49 HB3 ALA 10 3HB ALA 10 7.447 21.477 3.242 50 H ILE 11 H ILE 11 7.308 18.549 6.104 51 HA ILE 11 HA ILE 11 5.002 16.850 6.195 52 HB ILE 11 HB ILE 11 6.885 17.669 8.410 53 HG12 ILE 11 1HG1 ILE 11 6.843 15.000 7.037 54 HG13 ILE 11 2HG1 ILE 11 7.725 16.346 6.325 55 HG21 ILE 11 1HG2 ILE 11 5.321 15.160 8.539 56 HG22 ILE 11 2HG2 ILE 11 5.832 16.248 9.829 57 HG23 ILE 11 3HG2 ILE 11 4.448 16.666 8.819 58 HD11 ILE 11 1HD1 ILE 11 9.190 14.939 7.645 59 HD12 ILE 11 2HD1 ILE 11 9.055 16.546 8.362 60 HD13 ILE 11 3HD1 ILE 11 8.175 15.189 9.065 61 H ASP 12 H ASP 12 3.027 17.677 6.378 62 HA ASP 12 HA ASP 12 2.597 19.825 8.349 63 HB2 ASP 12 1HB ASP 12 1.378 19.484 5.611 64 HB3 ASP 12 2HB ASP 12 0.652 20.513 6.843 65 HA PRO 13 HA PRO 13 -0.068 16.766 10.162 66 HB2 PRO 13 1HB PRO 13 -1.015 18.348 12.155 67 HB3 PRO 13 2HB PRO 13 0.596 17.620 12.189 68 HG2 PRO 13 1HG PRO 13 -0.211 20.401 11.429 69 HG3 PRO 13 2HG PRO 13 1.160 19.865 12.418 70 HD2 PRO 13 1HD PRO 13 1.426 20.567 9.816 71 HD3 PRO 13 2HD PRO 13 2.436 19.321 10.577 72 H ASN 14 H ASN 14 -0.916 19.221 8.212 73 HA ASN 14 HA ASN 14 -3.763 19.230 8.864 74 HB2 ASN 14 1HB ASN 14 -2.344 21.306 8.171 75 HB3 ASN 14 2HB ASN 14 -2.558 20.692 6.535 76 HD21 ASN 14 1HD2 ASN 14 -4.263 21.769 9.412 77 HD22 ASN 14 2HD2 ASN 14 -5.701 22.271 8.597 78 H GLU 15 H GLU 15 -1.591 18.384 6.190 79 HA GLU 15 HA GLU 15 -3.465 17.553 4.328 80 HB2 GLU 15 1HB GLU 15 -0.628 16.789 4.885 81 HB3 GLU 15 2HB GLU 15 -1.541 15.869 3.698 82 HG2 GLU 15 1HG GLU 15 -0.230 17.637 2.657 83 HG3 GLU 15 2HG GLU 15 -1.959 17.880 2.415 84 HA PRO 16 HA PRO 16 -5.334 14.028 6.232 85 HB2 PRO 16 1HB PRO 16 -6.559 13.041 4.020 86 HB3 PRO 16 2HB PRO 16 -7.144 14.466 4.887 87 HG2 PRO 16 1HG PRO 16 -5.495 14.311 2.394 88 HG3 PRO 16 2HG PRO 16 -6.869 15.369 2.762 89 HD2 PRO 16 1HD PRO 16 -4.299 16.209 2.920 90 HD3 PRO 16 2HD PRO 16 -5.575 16.833 3.986 91 H THR 17 H THR 17 -5.446 11.648 5.913 92 HA THR 17 HA THR 17 -2.947 10.667 4.704 93 HB THR 17 HB THR 17 -3.071 8.778 6.252 94 HG1 THR 17 HG1 THR 17 -5.583 9.870 6.747 95 HG21 THR 17 1HG2 THR 17 -1.796 10.494 7.171 96 HG22 THR 17 2HG2 THR 17 -2.978 10.170 8.439 97 HG23 THR 17 3HG2 THR 17 -3.188 11.556 7.370 98 H TYR 18 H TYR 18 -3.005 9.169 3.136 99 HA TYR 18 HA TYR 18 -5.638 8.065 2.412 100 HB2 TYR 18 1HB TYR 18 -3.243 8.590 0.640 101 HB3 TYR 18 2HB TYR 18 -4.773 7.899 0.110 102 HD1 TYR 18 HD2 TYR 18 -3.358 10.944 1.732 103 HD2 TYR 18 HD1 TYR 18 -6.451 9.299 -0.683 104 HE1 TYR 18 HE2 TYR 18 -4.226 13.206 1.314 105 HE2 TYR 18 HE1 TYR 18 -7.327 11.558 -1.109 106 HH TYR 18 HH TYR 18 -5.596 14.417 -0.117 107 H CYS 19 H CYS 19 -2.203 7.248 1.888 108 HA CYS 19 HA CYS 19 -2.405 4.583 1.400 109 HB2 CYS 19 1HB CYS 19 -0.294 5.962 1.461 110 HB3 CYS 19 2HB CYS 19 -0.287 5.754 3.210 111 H LEU 20 H LEU 20 -2.170 2.672 2.695 112 HA LEU 20 HA LEU 20 -3.978 2.453 4.784 113 HB2 LEU 20 1HB LEU 20 -1.578 0.681 4.378 114 HB3 LEU 20 2HB LEU 20 -3.096 0.258 5.167 115 HG LEU 20 HG LEU 20 -3.169 1.074 2.304 116 HD11 LEU 20 1HD1 LEU 20 -2.685 -1.790 2.886 117 HD12 LEU 20 2HD1 LEU 20 -1.292 -0.709 2.904 118 HD13 LEU 20 3HD1 LEU 20 -2.288 -0.838 1.455 119 HD21 LEU 20 1HD2 LEU 20 -5.291 0.570 2.834 120 HD22 LEU 20 2HD2 LEU 20 -4.822 -0.377 4.246 121 HD23 LEU 20 3HD2 LEU 20 -4.761 -1.101 2.639 122 H CYS 21 H CYS 21 -0.490 2.993 4.880 123 HA CYS 21 HA CYS 21 -0.117 2.709 7.643 124 HB2 CYS 21 1HB CYS 21 1.940 4.025 7.313 125 HB3 CYS 21 2HB CYS 21 1.755 2.785 6.076 126 H ASN 22 H ASN 22 -1.963 4.949 6.011 127 HA ASN 22 HA ASN 22 -3.074 6.828 6.650 128 HB2 ASN 22 1HB ASN 22 -2.185 5.712 9.279 129 HB3 ASN 22 2HB ASN 22 -2.878 7.331 9.235 130 HD21 ASN 22 1HD2 ASN 22 -3.463 3.945 8.612 131 HD22 ASN 22 2HD2 ASN 22 -5.189 4.041 8.628 132 H GLN 23 H GLN 23 -0.730 7.319 5.447 133 HA GLN 23 HA GLN 23 0.348 9.598 6.968 134 HB2 GLN 23 1HB GLN 23 1.809 7.550 5.322 135 HB3 GLN 23 2HB GLN 23 2.495 9.143 5.613 136 HG2 GLN 23 1HG GLN 23 1.583 7.387 7.863 137 HG3 GLN 23 2HG GLN 23 3.192 7.239 7.157 138 HE21 GLN 23 1HE2 GLN 23 4.308 7.909 8.936 139 HE22 GLN 23 2HE2 GLN 23 4.243 9.522 9.551 140 H VAL 24 H VAL 24 1.174 11.357 5.651 141 HA VAL 24 HA VAL 24 -0.601 12.068 3.571 142 HB VAL 24 HB VAL 24 0.766 14.054 3.275 143 HG11 VAL 24 1HG1 VAL 24 -0.673 13.500 5.438 144 HG12 VAL 24 2HG1 VAL 24 0.899 13.697 6.217 145 HG13 VAL 24 3HG1 VAL 24 0.215 15.014 5.263 146 HG21 VAL 24 1HG2 VAL 24 2.769 12.536 4.925 147 HG22 VAL 24 2HG2 VAL 24 2.980 13.239 3.322 148 HG23 VAL 24 3HG2 VAL 24 2.832 14.288 4.732 149 H SER 25 H SER 25 -0.053 12.596 1.358 150 HA SER 25 HA SER 25 1.512 10.505 0.136 151 HB2 SER 25 1HB SER 25 -0.502 10.992 -1.002 152 HB3 SER 25 2HB SER 25 -0.211 12.730 -0.946 153 HG SER 25 HG SER 25 1.232 12.560 -2.553 154 H TYR 26 H TYR 26 3.502 10.654 -0.703 155 HA TYR 26 HA TYR 26 4.695 13.313 -1.058 156 HB2 TYR 26 1HB TYR 26 6.852 12.280 -0.131 157 HB3 TYR 26 2HB TYR 26 5.597 12.702 1.029 158 HD1 TYR 26 HD2 TYR 26 4.207 10.910 2.046 159 HD2 TYR 26 HD1 TYR 26 7.547 10.021 -0.435 160 HE1 TYR 26 HE2 TYR 26 4.233 8.610 2.915 161 HE2 TYR 26 HE1 TYR 26 7.581 7.717 0.427 162 HH TYR 26 HH TYR 26 5.024 6.415 2.289 163 H GLY 27 H GLY 27 5.444 9.844 -1.467 164 HA2 GLY 27 1HA GLY 27 6.902 10.424 -3.913 165 HA3 GLY 27 2HA GLY 27 6.740 8.854 -3.140 166 H GLU 28 H GLU 28 6.423 8.187 -5.424 167 HA GLU 28 HA GLU 28 4.057 8.948 -6.813 168 HB2 GLU 28 1HB GLU 28 6.085 6.762 -7.152 169 HB3 GLU 28 2HB GLU 28 4.612 6.761 -8.111 170 HG2 GLU 28 1HG GLU 28 6.538 7.789 -9.258 171 HG3 GLU 28 2HG GLU 28 5.163 8.878 -9.079 172 H MET 29 H MET 29 2.044 8.168 -6.693 173 HA MET 29 HA MET 29 1.596 5.680 -5.186 174 HB2 MET 29 1HB MET 29 -0.094 8.181 -5.007 175 HB3 MET 29 2HB MET 29 -0.397 6.667 -4.167 176 HG2 MET 29 1HG MET 29 1.564 6.931 -2.834 177 HG3 MET 29 2HG MET 29 2.080 8.324 -3.782 178 HE1 MET 29 1HE MET 29 -0.128 7.663 -0.280 179 HE2 MET 29 2HE MET 29 -1.596 7.978 -1.206 180 HE3 MET 29 3HE MET 29 -0.479 6.714 -1.725 181 H ILE 30 H ILE 30 -0.253 4.471 -5.786 182 HA ILE 30 HA ILE 30 -1.159 5.040 -8.523 183 HB ILE 30 HB ILE 30 -1.581 2.730 -8.817 184 HG12 ILE 30 1HG1 ILE 30 -2.593 2.410 -6.534 185 HG13 ILE 30 2HG1 ILE 30 -1.566 1.086 -7.072 186 HG21 ILE 30 1HG2 ILE 30 0.694 3.047 -9.135 187 HG22 ILE 30 2HG2 ILE 30 0.996 3.327 -7.421 188 HG23 ILE 30 3HG2 ILE 30 0.645 1.699 -7.999 189 HD11 ILE 30 1HD1 ILE 30 0.227 2.594 -5.736 190 HD12 ILE 30 2HD1 ILE 30 -1.242 2.937 -4.823 191 HD13 ILE 30 3HD1 ILE 30 -0.695 1.273 -5.020 192 H GLY 31 H GLY 31 -3.366 4.757 -9.087 193 HA2 GLY 31 1HA GLY 31 -5.174 5.312 -6.840 194 HA3 GLY 31 2HA GLY 31 -5.493 5.675 -8.530 195 H CYS 32 H CYS 32 -5.811 3.383 -6.002 196 HA CYS 32 HA CYS 32 -6.161 0.951 -7.035 197 HB2 CYS 32 1HB CYS 32 -6.755 1.247 -4.767 198 HB3 CYS 32 2HB CYS 32 -7.981 2.447 -5.160 199 H ASP 33 H ASP 33 -7.089 0.128 -8.777 200 HA ASP 33 HA ASP 33 -8.506 1.373 -10.701 201 HB2 ASP 33 1HB ASP 33 -7.690 -0.980 -10.806 202 HB3 ASP 33 2HB ASP 33 -9.065 -1.466 -9.819 203 H ASN 34 H ASN 34 -9.892 -0.112 -7.801 204 HA ASN 34 HA ASN 34 -12.597 0.338 -8.469 205 HB2 ASN 34 1HB ASN 34 -11.746 -1.233 -6.691 206 HB3 ASN 34 2HB ASN 34 -11.437 0.177 -5.682 207 HD21 ASN 34 1HD2 ASN 34 -12.925 0.310 -4.176 208 HD22 ASN 34 2HD2 ASN 34 -14.621 0.066 -4.393 209 H GLU 35 H GLU 35 -13.094 2.384 -9.097 210 HA GLU 35 HA GLU 35 -12.115 4.773 -8.148 211 HB2 GLU 35 1HB GLU 35 -14.845 4.082 -9.227 212 HB3 GLU 35 2HB GLU 35 -14.359 5.732 -8.864 213 HG2 GLU 35 1HG GLU 35 -12.337 5.183 -10.408 214 HG3 GLU 35 2HG GLU 35 -13.388 3.901 -11.005 215 H GLN 36 H GLN 36 -15.138 3.204 -7.084 216 HA GLN 36 HA GLN 36 -16.084 4.811 -5.186 217 HB2 GLN 36 1HB GLN 36 -15.719 1.832 -5.114 218 HB3 GLN 36 2HB GLN 36 -16.476 2.671 -3.767 219 HG2 GLN 36 1HG GLN 36 -18.133 3.612 -5.358 220 HG3 GLN 36 2HG GLN 36 -17.419 2.611 -6.622 221 HE21 GLN 36 1HE2 GLN 36 -19.385 2.674 -3.781 222 HE22 GLN 36 2HE2 GLN 36 -19.943 1.041 -3.873 223 H CYS 37 H CYS 37 -13.202 2.801 -4.791 224 HA CYS 37 HA CYS 37 -12.617 3.051 -2.154 225 HB2 CYS 37 1HB CYS 37 -11.240 2.080 -4.200 226 HB3 CYS 37 2HB CYS 37 -10.395 3.619 -4.066 227 HA PRO 38 HA PRO 38 -12.605 7.504 -1.656 228 HB2 PRO 38 1HB PRO 38 -12.346 7.443 1.045 229 HB3 PRO 38 2HB PRO 38 -13.884 7.160 0.221 230 HG2 PRO 38 1HG PRO 38 -11.941 5.176 1.340 231 HG3 PRO 38 2HG PRO 38 -13.711 5.190 1.445 232 HD2 PRO 38 1HD PRO 38 -12.369 3.637 -0.321 233 HD3 PRO 38 2HD PRO 38 -13.969 4.320 -0.674 234 H ILE 39 H ILE 39 -10.136 5.330 -1.489 235 HA ILE 39 HA ILE 39 -8.209 7.294 -0.444 236 HB ILE 39 HB ILE 39 -7.861 4.320 -0.842 237 HG12 ILE 39 1HG1 ILE 39 -8.010 5.889 1.738 238 HG13 ILE 39 2HG1 ILE 39 -9.383 5.043 1.032 239 HG21 ILE 39 1HG2 ILE 39 -5.678 4.719 -0.781 240 HG22 ILE 39 2HG2 ILE 39 -5.956 6.442 -0.530 241 HG23 ILE 39 3HG2 ILE 39 -5.880 5.351 0.853 242 HD11 ILE 39 1HD1 ILE 39 -7.197 3.237 1.186 243 HD12 ILE 39 2HD1 ILE 39 -7.391 4.031 2.749 244 HD13 ILE 39 3HD1 ILE 39 -8.750 3.175 2.019 245 H GLU 40 H GLU 40 -8.342 4.738 -2.936 246 HA GLU 40 HA GLU 40 -7.152 4.542 -4.897 247 HB2 GLU 40 1HB GLU 40 -8.524 7.218 -5.055 248 HB3 GLU 40 2HB GLU 40 -7.637 6.552 -6.419 249 HG2 GLU 40 1HG GLU 40 -9.092 4.566 -6.360 250 HG3 GLU 40 2HG GLU 40 -10.011 5.307 -5.051 251 H TRP 41 H TRP 41 -5.450 5.339 -2.809 252 HA TRP 41 HA TRP 41 -3.295 6.454 -4.329 253 HB2 TRP 41 1HB TRP 41 -4.456 8.064 -2.046 254 HB3 TRP 41 2HB TRP 41 -2.878 8.365 -2.769 255 HD1 TRP 41 HD1 TRP 41 -6.272 9.598 -2.962 256 HE1 TRP 41 HE1 TRP 41 -6.714 10.833 -5.177 257 HE3 TRP 41 HE3 TRP 41 -2.204 7.995 -5.610 258 HZ2 TRP 41 HZ2 TRP 41 -5.499 11.093 -7.711 259 HZ3 TRP 41 HZ3 TRP 41 -1.918 8.782 -7.924 260 HH2 TRP 41 HH2 TRP 41 -3.532 10.299 -8.951 261 H PHE 42 H PHE 42 -1.686 5.154 -3.774 262 HA PHE 42 HA PHE 42 -1.088 4.738 -0.952 263 HB2 PHE 42 1HB PHE 42 -1.270 2.397 -2.854 264 HB3 PHE 42 2HB PHE 42 -0.942 2.343 -1.125 265 HD1 PHE 42 HD2 PHE 42 -2.721 2.631 0.490 266 HD2 PHE 42 HD1 PHE 42 -3.506 2.741 -3.692 267 HE1 PHE 42 HE2 PHE 42 -5.126 2.373 0.938 268 HE2 PHE 42 HE1 PHE 42 -5.913 2.484 -3.250 269 HZ PHE 42 HZ PHE 42 -6.726 2.298 -0.933 270 H HIS 43 H HIS 43 1.074 4.312 -0.525 271 HA HIS 43 HA HIS 43 2.919 5.222 -2.505 272 HB2 HIS 43 1HB HIS 43 3.560 3.924 0.148 273 HB3 HIS 43 2HB HIS 43 4.608 4.972 -0.804 274 HD2 HIS 43 HD2 HIS 43 3.213 7.674 -1.113 275 HE1 HIS 43 HE1 HIS 43 1.812 7.347 2.878 276 HE2 HIS 43 HE2 HIS 43 2.133 8.880 0.905 277 H PHE 44 H PHE 44 4.537 4.095 -3.567 278 HA PHE 44 HA PHE 44 3.926 1.469 -4.380 279 HB2 PHE 44 1HB PHE 44 6.331 3.239 -4.741 280 HB3 PHE 44 2HB PHE 44 6.324 1.584 -5.342 281 HD1 PHE 44 HD2 PHE 44 3.520 4.012 -5.283 282 HD2 PHE 44 HD1 PHE 44 6.329 1.866 -7.653 283 HE1 PHE 44 HE2 PHE 44 2.368 4.764 -7.322 284 HE2 PHE 44 HE1 PHE 44 5.182 2.615 -9.697 285 HZ PHE 44 HZ PHE 44 3.198 4.065 -9.533 286 H SER 45 H SER 45 6.559 2.698 -2.321 287 HA SER 45 HA SER 45 7.778 0.284 -1.723 288 HB2 SER 45 1HB SER 45 8.568 2.626 -1.117 289 HB3 SER 45 2HB SER 45 7.477 2.537 0.265 290 HG SER 45 HG SER 45 8.755 0.349 0.456 291 H CYS 46 H CYS 46 5.058 1.871 -0.099 292 HA CYS 46 HA CYS 46 4.776 0.007 1.992 293 HB2 CYS 46 1HB CYS 46 3.051 2.107 0.769 294 HB3 CYS 46 2HB CYS 46 2.280 0.914 1.809 295 H VAL 47 H VAL 47 3.085 0.273 -1.128 296 HA VAL 47 HA VAL 47 1.723 -2.242 -0.720 297 HB VAL 47 HB VAL 47 0.837 -1.878 -3.007 298 HG11 VAL 47 1HG1 VAL 47 -0.067 0.584 -2.290 299 HG12 VAL 47 2HG1 VAL 47 -0.700 -0.940 -1.664 300 HG13 VAL 47 3HG1 VAL 47 0.508 -0.041 -0.745 301 HG21 VAL 47 1HG2 VAL 47 3.056 -0.118 -3.187 302 HG22 VAL 47 2HG2 VAL 47 1.891 -0.548 -4.440 303 HG23 VAL 47 3HG2 VAL 47 1.585 0.835 -3.390 304 H SER 48 H SER 48 4.681 -2.182 -0.833 305 HA SER 48 HA SER 48 6.455 -3.110 -2.002 306 HB2 SER 48 1HB SER 48 4.432 -5.363 -1.933 307 HB3 SER 48 2HB SER 48 6.171 -5.558 -2.159 308 HG SER 48 HG SER 48 5.556 -5.870 0.020 309 H LEU 49 H LEU 49 5.434 -1.551 -3.838 310 HA LEU 49 HA LEU 49 4.878 -3.197 -6.207 311 HB2 LEU 49 1HB LEU 49 4.103 -0.499 -5.338 312 HB3 LEU 49 2HB LEU 49 4.543 -0.634 -7.039 313 HG LEU 49 HG LEU 49 2.385 -2.217 -5.644 314 HD11 LEU 49 1HD1 LEU 49 2.157 0.349 -6.219 315 HD12 LEU 49 2HD1 LEU 49 0.832 -0.781 -6.494 316 HD13 LEU 49 3HD1 LEU 49 1.860 -0.284 -7.838 317 HD21 LEU 49 1HD2 LEU 49 3.438 -3.481 -7.441 318 HD22 LEU 49 2HD2 LEU 49 3.205 -2.127 -8.546 319 HD23 LEU 49 3HD2 LEU 49 1.808 -2.984 -7.894 320 H THR 50 H THR 50 6.712 -0.263 -5.333 321 HA THR 50 HA THR 50 8.650 0.617 -6.148 322 HB THR 50 HB THR 50 9.454 -2.241 -6.699 323 HG1 THR 50 HG1 THR 50 8.811 -2.258 -4.589 324 HG21 THR 50 1HG2 THR 50 11.550 -0.734 -5.595 325 HG22 THR 50 2HG2 THR 50 10.802 0.299 -6.813 326 HG23 THR 50 3HG2 THR 50 11.397 -1.301 -7.257 327 H TYR 51 H TYR 51 6.415 0.014 -8.043 328 HA TYR 51 HA TYR 51 7.623 0.891 -10.408 329 HB2 TYR 51 1HB TYR 51 7.078 -1.270 -11.748 330 HB3 TYR 51 2HB TYR 51 8.591 -1.179 -10.853 331 HD1 TYR 51 HD2 TYR 51 5.048 -2.182 -10.177 332 HD2 TYR 51 HD1 TYR 51 9.179 -3.081 -9.704 333 HE1 TYR 51 HE2 TYR 51 4.455 -4.245 -8.977 334 HE2 TYR 51 HE1 TYR 51 8.598 -5.147 -8.503 335 HH TYR 51 HH TYR 51 5.336 -6.323 -8.341 336 H LYS 52 H LYS 52 6.112 1.220 -12.120 337 HA LYS 52 HA LYS 52 3.423 1.582 -11.172 338 HB2 LYS 52 1HB LYS 52 4.883 3.023 -12.853 339 HB3 LYS 52 2HB LYS 52 4.146 1.958 -14.043 340 HG2 LYS 52 1HG LYS 52 2.570 3.561 -12.045 341 HG3 LYS 52 2HG LYS 52 2.959 4.125 -13.672 342 HD2 LYS 52 1HD LYS 52 1.655 2.456 -14.681 343 HD3 LYS 52 2HD LYS 52 1.586 1.495 -13.202 344 HE2 LYS 52 1HE LYS 52 0.020 2.898 -12.215 345 HE3 LYS 52 2HE LYS 52 0.415 4.248 -13.278 346 HZ1 LYS 52 1HZ LYS 52 -0.689 1.819 -14.483 347 HZ2 LYS 52 2HZ LYS 52 -0.877 3.434 -14.948 348 HZ3 LYS 52 3HZ LYS 52 -1.743 2.828 -13.627 349 HA PRO 53 HA PRO 53 2.221 -2.501 -12.589 350 HB2 PRO 53 1HB PRO 53 -0.286 -2.381 -11.554 351 HB3 PRO 53 2HB PRO 53 1.141 -2.736 -10.574 352 HG2 PRO 53 1HG PRO 53 -0.329 -0.151 -10.911 353 HG3 PRO 53 2HG PRO 53 0.316 -0.886 -9.432 354 HD2 PRO 53 1HD PRO 53 1.595 1.106 -10.746 355 HD3 PRO 53 2HD PRO 53 2.463 -0.164 -9.859 356 H LYS 54 H LYS 54 1.873 -2.597 -14.728 357 HA LYS 54 HA LYS 54 0.167 -0.767 -16.117 358 HB2 LYS 54 1HB LYS 54 1.527 -3.316 -17.005 359 HB3 LYS 54 2HB LYS 54 0.634 -2.250 -18.081 360 HG2 LYS 54 1HG LYS 54 3.001 -1.361 -16.454 361 HG3 LYS 54 2HG LYS 54 3.117 -1.962 -18.109 362 HD2 LYS 54 1HD LYS 54 1.174 0.217 -17.547 363 HD3 LYS 54 2HD LYS 54 2.891 0.624 -17.567 364 HE2 LYS 54 1HE LYS 54 2.073 0.982 -19.766 365 HE3 LYS 54 2HE LYS 54 3.023 -0.502 -19.811 366 HZ1 LYS 54 1HZ LYS 54 0.587 -0.299 -20.838 367 HZ2 LYS 54 2HZ LYS 54 0.183 -0.816 -19.279 368 HZ3 LYS 54 3HZ LYS 54 1.215 -1.751 -20.239 369 H GLY 55 H GLY 55 -1.910 -0.994 -16.741 370 HA2 GLY 55 1HA GLY 55 -3.795 -2.325 -17.403 371 HA3 GLY 55 2HA GLY 55 -3.196 -3.616 -16.372 372 H LYS 56 H LYS 56 -4.377 -3.928 -14.621 373 HA LYS 56 HA LYS 56 -5.671 -1.595 -13.367 374 HB2 LYS 56 1HB LYS 56 -7.456 -3.194 -12.625 375 HB3 LYS 56 2HB LYS 56 -7.397 -2.920 -14.362 376 HG2 LYS 56 1HG LYS 56 -6.144 -5.033 -14.616 377 HG3 LYS 56 2HG LYS 56 -6.325 -5.315 -12.883 378 HD2 LYS 56 1HD LYS 56 -8.865 -4.979 -13.382 379 HD3 LYS 56 2HD LYS 56 -8.394 -5.357 -15.041 380 HE2 LYS 56 1HE LYS 56 -9.051 -7.401 -14.029 381 HE3 LYS 56 2HE LYS 56 -7.292 -7.430 -14.143 382 HZ1 LYS 56 1HZ LYS 56 -7.067 -7.058 -11.868 383 HZ2 LYS 56 2HZ LYS 56 -8.340 -8.166 -11.965 384 HZ3 LYS 56 3HZ LYS 56 -8.664 -6.530 -11.685 385 H TRP 57 H TRP 57 -5.350 -1.300 -11.238 386 HA TRP 57 HA TRP 57 -4.112 -3.483 -9.703 387 HB2 TRP 57 1HB TRP 57 -2.370 -1.871 -10.364 388 HB3 TRP 57 2HB TRP 57 -3.292 -0.572 -9.613 389 HD1 TRP 57 HD1 TRP 57 -0.991 -3.481 -8.775 390 HE1 TRP 57 HE1 TRP 57 -0.331 -3.337 -6.292 391 HE3 TRP 57 HE3 TRP 57 -4.162 0.251 -7.307 392 HZ2 TRP 57 HZ2 TRP 57 -1.058 -1.840 -4.012 393 HZ3 TRP 57 HZ3 TRP 57 -4.118 0.980 -4.958 394 HH2 TRP 57 HH2 TRP 57 -2.598 -0.045 -3.346 395 H TYR 58 H TYR 58 -5.500 -4.022 -8.159 396 HA TYR 58 HA TYR 58 -7.179 -1.935 -6.957 397 HB2 TYR 58 1HB TYR 58 -7.458 -4.941 -7.036 398 HB3 TYR 58 2HB TYR 58 -8.494 -3.899 -6.066 399 HD1 TYR 58 HD1 TYR 58 -7.452 -4.645 -9.546 400 HD2 TYR 58 HD2 TYR 58 -10.342 -2.798 -7.028 401 HE1 TYR 58 HE1 TYR 58 -8.923 -4.310 -11.489 402 HE2 TYR 58 HE2 TYR 58 -11.820 -2.458 -8.963 403 HH TYR 58 HH TYR 58 -12.170 -2.957 -11.124 404 H CYS 59 H CYS 59 -6.476 -1.117 -5.109 405 HA CYS 59 HA CYS 59 -4.366 -1.809 -3.584 406 HB2 CYS 59 1HB CYS 59 -5.269 -0.525 -1.813 407 HB3 CYS 59 2HB CYS 59 -5.947 0.169 -3.283 408 HA PRO 60 HA PRO 60 -5.076 -5.620 -1.526 409 HB2 PRO 60 1HB PRO 60 -3.779 -5.204 0.823 410 HB3 PRO 60 2HB PRO 60 -2.935 -5.443 -0.712 411 HG2 PRO 60 1HG PRO 60 -3.554 -2.895 0.733 412 HG3 PRO 60 2HG PRO 60 -2.057 -3.383 -0.082 413 HD2 PRO 60 1HD PRO 60 -3.861 -1.717 -1.224 414 HD3 PRO 60 2HD PRO 60 -2.871 -2.847 -2.171 415 H LYS 61 H LYS 61 -6.601 -2.835 -0.625 416 HA LYS 61 HA LYS 61 -7.846 -3.959 1.774 417 HB2 LYS 61 1HB LYS 61 -7.579 -1.234 0.619 418 HB3 LYS 61 2HB LYS 61 -9.038 -1.571 1.541 419 HG2 LYS 61 1HG LYS 61 -6.382 -2.264 2.703 420 HG3 LYS 61 2HG LYS 61 -6.930 -0.586 2.712 421 HD2 LYS 61 1HD LYS 61 -8.822 -1.107 4.022 422 HD3 LYS 61 2HD LYS 61 -8.636 -2.840 3.740 423 HE2 LYS 61 1HE LYS 61 -7.797 -2.637 5.873 424 HE3 LYS 61 2HE LYS 61 -6.328 -2.489 4.910 425 HZ1 LYS 61 1HZ LYS 61 -6.873 0.024 5.026 426 HZ2 LYS 61 2HZ LYS 61 -6.142 -0.730 6.352 427 HZ3 LYS 61 3HZ LYS 61 -7.803 -0.407 6.372 428 H CYS 62 H CYS 62 -8.509 -3.174 -1.555 429 HA CYS 62 HA CYS 62 -11.360 -3.702 -1.234 430 HB2 CYS 62 1HB CYS 62 -9.672 -2.742 -3.540 431 HB3 CYS 62 2HB CYS 62 -11.352 -3.222 -3.755 432 H ARG 63 H ARG 63 -8.467 -5.161 -2.555 433 HA ARG 63 HA ARG 63 -9.901 -7.302 -3.856 434 HB2 ARG 63 1HB ARG 63 -7.649 -8.207 -4.323 435 HB3 ARG 63 2HB ARG 63 -7.820 -6.533 -4.834 436 HG2 ARG 63 1HG ARG 63 -5.768 -6.466 -3.837 437 HG3 ARG 63 2HG ARG 63 -6.802 -6.031 -2.474 438 HD2 ARG 63 1HD ARG 63 -6.319 -8.915 -2.878 439 HD3 ARG 63 2HD ARG 63 -4.926 -7.958 -2.373 440 HE ARG 63 HE ARG 63 -7.320 -7.533 -0.815 441 HH11 ARG 63 1HH1 ARG 63 -4.375 -9.354 -1.171 442 HH12 ARG 63 2HH1 ARG 63 -4.299 -9.806 0.500 443 HH21 ARG 63 1HH2 ARG 63 -7.231 -8.121 1.387 444 HH22 ARG 63 2HH2 ARG 63 -5.924 -9.105 1.953 445 H GLY 64 H GLY 64 -10.174 -6.861 -0.918 446 HA2 GLY 64 1HA GLY 64 -8.799 -8.810 0.551 447 HA3 GLY 64 2HA GLY 64 -10.366 -8.139 0.978 448 H ASP 65 H ASP 65 -12.171 -9.023 -0.596 449 HA ASP 65 HA ASP 65 -12.311 -11.825 -0.094 450 HB2 ASP 65 1HB ASP 65 -14.239 -10.117 -0.174 451 HB3 ASP 65 2HB ASP 65 -14.171 -10.321 -1.922 452 H SER 66 H SER 66 -11.244 -13.285 -1.245 453 HA SER 66 HA SER 66 -10.126 -12.852 -3.780 454 HB2 SER 66 1HB SER 66 -10.767 -15.439 -2.347 455 HB3 SER 66 2HB SER 66 -9.791 -15.331 -3.812 456 HG SER 66 HG SER 66 -8.231 -15.100 -2.406 457 H GLY 67 H GLY 67 -10.991 -12.843 -5.745 458 HA2 GLY 67 1HA GLY 67 -13.239 -14.573 -6.380 459 HA3 GLY 67 2HA GLY 67 -13.569 -12.849 -6.460 460 HA PRO 68 HA PRO 68 -11.882 -12.530 -10.489 461 HB2 PRO 68 1HB PRO 68 -10.242 -10.369 -10.390 462 HB3 PRO 68 2HB PRO 68 -12.003 -10.242 -10.322 463 HG2 PRO 68 1HG PRO 68 -10.011 -10.168 -8.089 464 HG3 PRO 68 2HG PRO 68 -11.441 -9.152 -8.346 465 HD2 PRO 68 1HD PRO 68 -11.429 -11.243 -6.625 466 HD3 PRO 68 2HD PRO 68 -12.881 -10.752 -7.521 467 H SER 69 H SER 69 -9.810 -13.200 -7.897 468 HA SER 69 HA SER 69 -7.275 -13.168 -9.037 469 HB2 SER 69 1HB SER 69 -8.504 -14.920 -6.914 470 HB3 SER 69 2HB SER 69 -6.815 -15.085 -7.391 471 HG SER 69 HG SER 69 -7.443 -13.585 -5.566 472 H SER 70 H SER 70 -9.600 -15.864 -8.908 473 HA SER 70 HA SER 70 -8.189 -17.809 -10.214 474 HB2 SER 70 1HB SER 70 -10.363 -18.714 -10.966 475 HB3 SER 70 2HB SER 70 -10.420 -18.192 -9.283 476 HG SER 70 HG SER 70 -12.211 -17.335 -10.188 477 H GLY 71 H GLY 71 -8.031 -18.515 -12.387 478 HA2 GLY 71 1HA GLY 71 -8.962 -16.904 -14.562 479 HA3 GLY 71 2HA GLY 71 -7.251 -16.652 -14.250 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -7.797 33.159 18.757 2 HA2 GLY 1 1HA GLY 1 -7.246 30.757 19.262 3 HA3 GLY 1 2HA GLY 1 -8.984 30.499 19.255 4 H SER 2 H SER 2 -6.139 30.881 17.342 5 HA SER 2 HA SER 2 -7.691 30.754 14.859 6 HB2 SER 2 1HB SER 2 -5.770 31.505 13.718 7 HB3 SER 2 2HB SER 2 -5.757 32.417 15.227 8 HG SER 2 HG SER 2 -4.025 31.367 15.862 9 H SER 3 H SER 3 -7.165 29.194 13.234 10 HA SER 3 HA SER 3 -6.307 26.644 14.397 11 HB2 SER 3 1HB SER 3 -7.464 25.583 12.540 12 HB3 SER 3 2HB SER 3 -8.539 26.755 13.303 13 HG SER 3 HG SER 3 -7.242 26.876 10.817 14 H GLY 4 H GLY 4 -4.259 28.438 13.847 15 HA2 GLY 4 1HA GLY 4 -2.155 28.366 12.912 16 HA3 GLY 4 2HA GLY 4 -2.609 26.851 12.145 17 H SER 5 H SER 5 -1.070 28.289 10.628 18 HA SER 5 HA SER 5 -2.410 30.264 9.058 19 HB2 SER 5 1HB SER 5 -0.414 30.024 7.552 20 HB3 SER 5 2HB SER 5 -0.010 30.373 9.232 21 HG SER 5 HG SER 5 0.839 28.434 9.450 22 H SER 6 H SER 6 -2.470 29.982 6.597 23 HA SER 6 HA SER 6 -4.404 28.121 5.918 24 HB2 SER 6 1HB SER 6 -3.706 30.212 4.633 25 HB3 SER 6 2HB SER 6 -2.415 29.233 3.937 26 HG SER 6 HG SER 6 -5.165 29.127 3.513 27 H GLY 7 H GLY 7 -0.901 27.971 5.285 28 HA2 GLY 7 1HA GLY 7 -0.789 25.163 5.667 29 HA3 GLY 7 2HA GLY 7 -0.829 25.535 3.949 30 H GLU 8 H GLU 8 1.319 24.248 5.256 31 HA GLU 8 HA GLU 8 3.469 25.939 4.394 32 HB2 GLU 8 1HB GLU 8 2.985 26.708 6.755 33 HB3 GLU 8 2HB GLU 8 3.482 25.111 7.296 34 HG2 GLU 8 1HG GLU 8 5.673 25.549 6.095 35 HG3 GLU 8 2HG GLU 8 5.146 27.227 5.973 36 H PHE 9 H PHE 9 5.455 24.819 4.183 37 HA PHE 9 HA PHE 9 5.115 21.972 3.843 38 HB2 PHE 9 1HB PHE 9 7.321 23.913 3.190 39 HB3 PHE 9 2HB PHE 9 7.559 22.175 3.042 40 HD1 PHE 9 HD1 PHE 9 6.127 20.877 1.463 41 HD2 PHE 9 HD2 PHE 9 6.146 25.132 1.556 42 HE1 PHE 9 HE1 PHE 9 5.111 20.927 -0.777 43 HE2 PHE 9 HE2 PHE 9 5.129 25.189 -0.683 44 HZ PHE 9 HZ PHE 9 4.609 23.085 -1.853 45 H ALA 10 H ALA 10 4.900 21.280 6.013 46 HA ALA 10 HA ALA 10 7.369 20.554 7.241 47 HB1 ALA 10 1HB ALA 10 6.406 23.048 7.999 48 HB2 ALA 10 2HB ALA 10 5.927 21.967 9.308 49 HB3 ALA 10 3HB ALA 10 7.622 22.083 8.835 50 H ILE 11 H ILE 11 6.886 19.501 9.476 51 HA ILE 11 HA ILE 11 4.815 17.565 9.029 52 HB ILE 11 HB ILE 11 6.687 17.944 11.368 53 HG12 ILE 11 1HG1 ILE 11 7.404 15.617 10.176 54 HG13 ILE 11 2HG1 ILE 11 6.839 16.524 8.777 55 HG21 ILE 11 1HG2 ILE 11 5.718 16.245 12.457 56 HG22 ILE 11 2HG2 ILE 11 4.323 16.583 11.433 57 HG23 ILE 11 3HG2 ILE 11 5.465 15.317 10.979 58 HD11 ILE 11 1HD1 ILE 11 9.159 16.898 8.945 59 HD12 ILE 11 2HD1 ILE 11 8.376 18.376 9.506 60 HD13 ILE 11 3HD1 ILE 11 9.054 17.239 10.672 61 H ASP 12 H ASP 12 2.758 17.961 9.477 62 HA ASP 12 HA ASP 12 2.045 19.056 12.075 63 HB2 ASP 12 1HB ASP 12 0.879 20.263 9.563 64 HB3 ASP 12 2HB ASP 12 0.621 20.788 11.225 65 HA PRO 13 HA PRO 13 -1.183 16.091 11.835 66 HB2 PRO 13 1HB PRO 13 -3.062 17.252 13.414 67 HB3 PRO 13 2HB PRO 13 -1.581 16.531 14.055 68 HG2 PRO 13 1HG PRO 13 -2.204 19.407 13.509 69 HG3 PRO 13 2HG PRO 13 -1.383 18.686 14.905 70 HD2 PRO 13 1HD PRO 13 -0.038 19.885 12.884 71 HD3 PRO 13 2HD PRO 13 0.628 18.512 13.792 72 H ASN 14 H ASN 14 -1.817 19.405 10.948 73 HA ASN 14 HA ASN 14 -4.432 19.297 10.073 74 HB2 ASN 14 1HB ASN 14 -2.800 21.290 10.122 75 HB3 ASN 14 2HB ASN 14 -2.300 20.752 8.522 76 HD21 ASN 14 1HD2 ASN 14 -4.362 20.178 7.131 77 HD22 ASN 14 2HD2 ASN 14 -5.538 21.442 7.079 78 H GLU 15 H GLU 15 -1.495 18.534 8.212 79 HA GLU 15 HA GLU 15 -2.715 17.863 5.806 80 HB2 GLU 15 1HB GLU 15 -0.138 17.123 7.117 81 HB3 GLU 15 2HB GLU 15 -0.631 16.232 5.683 82 HG2 GLU 15 1HG GLU 15 0.595 17.880 4.715 83 HG3 GLU 15 2HG GLU 15 -0.992 18.649 4.712 84 HA PRO 16 HA PRO 16 -4.977 14.226 7.000 85 HB2 PRO 16 1HB PRO 16 -5.877 13.617 4.513 86 HB3 PRO 16 2HB PRO 16 -6.568 14.915 5.493 87 HG2 PRO 16 1HG PRO 16 -4.575 15.079 3.265 88 HG3 PRO 16 2HG PRO 16 -5.978 16.114 3.590 89 HD2 PRO 16 1HD PRO 16 -3.450 16.840 4.236 90 HD3 PRO 16 2HD PRO 16 -4.861 17.339 5.192 91 H THR 17 H THR 17 -5.239 11.961 5.784 92 HA THR 17 HA THR 17 -2.626 11.087 4.772 93 HB THR 17 HB THR 17 -2.592 9.140 6.209 94 HG1 THR 17 HG1 THR 17 -4.226 8.660 7.576 95 HG21 THR 17 1HG2 THR 17 -1.850 11.537 7.004 96 HG22 THR 17 2HG2 THR 17 -1.836 10.173 8.121 97 HG23 THR 17 3HG2 THR 17 -3.169 11.327 8.154 98 H TYR 18 H TYR 18 -2.671 9.200 3.492 99 HA TYR 18 HA TYR 18 -5.361 8.341 2.652 100 HB2 TYR 18 1HB TYR 18 -2.943 8.787 0.889 101 HB3 TYR 18 2HB TYR 18 -4.481 8.120 0.350 102 HD1 TYR 18 HD2 TYR 18 -3.107 11.142 2.066 103 HD2 TYR 18 HD1 TYR 18 -6.045 9.553 -0.570 104 HE1 TYR 18 HE2 TYR 18 -3.931 13.416 1.623 105 HE2 TYR 18 HE1 TYR 18 -6.876 11.823 -1.022 106 HH TYR 18 HH TYR 18 -5.561 14.339 -0.813 107 H CYS 19 H CYS 19 -1.950 7.397 2.184 108 HA CYS 19 HA CYS 19 -2.310 4.715 1.724 109 HB2 CYS 19 1HB CYS 19 -0.141 5.990 1.618 110 HB3 CYS 19 2HB CYS 19 -0.047 5.856 3.371 111 H LEU 20 H LEU 20 -1.807 2.860 3.168 112 HA LEU 20 HA LEU 20 -3.583 2.806 5.362 113 HB2 LEU 20 1HB LEU 20 -1.359 0.852 4.822 114 HB3 LEU 20 2HB LEU 20 -2.854 0.561 5.711 115 HG LEU 20 HG LEU 20 -2.971 1.299 2.816 116 HD11 LEU 20 1HD1 LEU 20 -2.476 -0.801 2.051 117 HD12 LEU 20 2HD1 LEU 20 -2.824 -1.570 3.600 118 HD13 LEU 20 3HD1 LEU 20 -1.325 -0.667 3.381 119 HD21 LEU 20 1HD2 LEU 20 -4.938 -0.310 3.019 120 HD22 LEU 20 2HD2 LEU 20 -5.078 1.242 3.845 121 HD23 LEU 20 3HD2 LEU 20 -4.687 -0.213 4.763 122 H CYS 21 H CYS 21 -0.097 3.205 5.112 123 HA CYS 21 HA CYS 21 0.488 2.937 7.865 124 HB2 CYS 21 1HB CYS 21 2.634 3.949 7.326 125 HB3 CYS 21 2HB CYS 21 2.195 2.783 6.082 126 H ASN 22 H ASN 22 -1.341 5.218 6.329 127 HA ASN 22 HA ASN 22 -2.212 7.226 6.945 128 HB2 ASN 22 1HB ASN 22 -1.000 6.414 9.591 129 HB3 ASN 22 2HB ASN 22 -1.980 7.862 9.384 130 HD21 ASN 22 1HD2 ASN 22 -2.281 5.188 10.822 131 HD22 ASN 22 2HD2 ASN 22 -3.869 4.670 10.384 132 H GLN 23 H GLN 23 -0.097 7.571 5.442 133 HA GLN 23 HA GLN 23 1.438 9.706 6.769 134 HB2 GLN 23 1HB GLN 23 2.353 7.573 4.867 135 HB3 GLN 23 2HB GLN 23 3.213 9.104 4.967 136 HG2 GLN 23 1HG GLN 23 2.668 7.419 7.388 137 HG3 GLN 23 2HG GLN 23 4.086 7.177 6.368 138 HE21 GLN 23 1HE2 GLN 23 4.905 9.638 5.759 139 HE22 GLN 23 2HE2 GLN 23 5.328 10.527 7.179 140 H VAL 24 H VAL 24 2.175 11.429 5.345 141 HA VAL 24 HA VAL 24 0.099 12.337 3.630 142 HB VAL 24 HB VAL 24 1.561 14.251 3.162 143 HG11 VAL 24 1HG1 VAL 24 0.275 14.435 5.142 144 HG12 VAL 24 2HG1 VAL 24 1.363 13.367 6.032 145 HG13 VAL 24 3HG1 VAL 24 1.901 14.978 5.554 146 HG21 VAL 24 1HG2 VAL 24 3.611 12.525 4.505 147 HG22 VAL 24 2HG2 VAL 24 3.719 13.391 2.973 148 HG23 VAL 24 3HG2 VAL 24 3.766 14.282 4.494 149 H SER 25 H SER 25 0.144 12.721 1.394 150 HA SER 25 HA SER 25 1.236 10.671 -0.176 151 HB2 SER 25 1HB SER 25 0.254 11.742 -2.024 152 HB3 SER 25 2HB SER 25 -0.765 12.232 -0.671 153 HG SER 25 HG SER 25 1.100 13.725 -2.136 154 H TYR 26 H TYR 26 3.040 10.502 -1.414 155 HA TYR 26 HA TYR 26 4.710 12.667 -2.139 156 HB2 TYR 26 1HB TYR 26 6.431 12.615 -0.613 157 HB3 TYR 26 2HB TYR 26 5.076 12.242 0.446 158 HD1 TYR 26 HD1 TYR 26 8.021 10.869 -1.267 159 HD2 TYR 26 HD2 TYR 26 4.832 10.053 1.428 160 HE1 TYR 26 HE1 TYR 26 9.137 8.786 -0.587 161 HE2 TYR 26 HE2 TYR 26 5.940 7.968 2.118 162 HH TYR 26 HH TYR 26 9.096 7.287 1.546 163 H GLY 27 H GLY 27 6.590 11.989 -3.337 164 HA2 GLY 27 1HA GLY 27 7.715 10.621 -4.798 165 HA3 GLY 27 2HA GLY 27 7.294 9.286 -3.735 166 H GLU 28 H GLU 28 6.670 7.762 -5.169 167 HA GLU 28 HA GLU 28 4.704 8.487 -7.218 168 HB2 GLU 28 1HB GLU 28 5.257 6.415 -8.304 169 HB3 GLU 28 2HB GLU 28 6.755 7.237 -7.888 170 HG2 GLU 28 1HG GLU 28 5.606 5.179 -6.055 171 HG3 GLU 28 2HG GLU 28 6.534 4.698 -7.474 172 H MET 29 H MET 29 2.662 7.696 -7.248 173 HA MET 29 HA MET 29 1.904 5.616 -5.343 174 HB2 MET 29 1HB MET 29 0.895 8.437 -5.338 175 HB3 MET 29 2HB MET 29 -0.171 7.130 -4.841 176 HG2 MET 29 1HG MET 29 1.386 6.486 -3.100 177 HG3 MET 29 2HG MET 29 2.513 7.735 -3.623 178 HE1 MET 29 1HE MET 29 -1.255 7.244 -2.304 179 HE2 MET 29 2HE MET 29 0.013 6.747 -1.183 180 HE3 MET 29 3HE MET 29 -0.994 8.148 -0.812 181 H ILE 30 H ILE 30 -0.450 4.981 -5.685 182 HA ILE 30 HA ILE 30 -1.221 5.302 -8.507 183 HB ILE 30 HB ILE 30 -1.762 2.992 -8.729 184 HG12 ILE 30 1HG1 ILE 30 -2.608 2.631 -6.440 185 HG13 ILE 30 2HG1 ILE 30 -1.482 1.368 -6.924 186 HG21 ILE 30 1HG2 ILE 30 0.515 3.383 -9.216 187 HG22 ILE 30 2HG2 ILE 30 0.947 3.443 -7.508 188 HG23 ILE 30 3HG2 ILE 30 0.474 1.912 -8.244 189 HD11 ILE 30 1HD1 ILE 30 0.157 3.186 -5.706 190 HD12 ILE 30 2HD1 ILE 30 -1.320 3.287 -4.747 191 HD13 ILE 30 3HD1 ILE 30 -0.510 1.735 -4.959 192 H GLY 31 H GLY 31 -3.491 4.854 -8.946 193 HA2 GLY 31 1HA GLY 31 -5.164 5.493 -6.600 194 HA3 GLY 31 2HA GLY 31 -5.537 5.963 -8.252 195 H CYS 32 H CYS 32 -6.047 3.678 -5.822 196 HA CYS 32 HA CYS 32 -6.468 1.270 -6.982 197 HB2 CYS 32 1HB CYS 32 -6.931 1.589 -4.644 198 HB3 CYS 32 2HB CYS 32 -8.247 2.701 -5.003 199 H ASP 33 H ASP 33 -7.433 0.676 -8.796 200 HA ASP 33 HA ASP 33 -8.938 2.127 -10.506 201 HB2 ASP 33 1HB ASP 33 -8.097 -0.375 -10.593 202 HB3 ASP 33 2HB ASP 33 -9.757 -0.722 -10.116 203 H ASN 34 H ASN 34 -10.108 0.448 -7.645 204 HA ASN 34 HA ASN 34 -12.868 0.765 -8.135 205 HB2 ASN 34 1HB ASN 34 -11.862 -0.794 -6.451 206 HB3 ASN 34 2HB ASN 34 -11.503 0.604 -5.441 207 HD21 ASN 34 1HD2 ASN 34 -12.849 0.570 -3.793 208 HD22 ASN 34 2HD2 ASN 34 -14.557 0.327 -3.883 209 H GLU 35 H GLU 35 -13.974 2.592 -8.278 210 HA GLU 35 HA GLU 35 -12.926 5.104 -7.468 211 HB2 GLU 35 1HB GLU 35 -15.182 5.968 -8.092 212 HB3 GLU 35 2HB GLU 35 -14.411 5.016 -9.352 213 HG2 GLU 35 1HG GLU 35 -15.769 3.075 -8.680 214 HG3 GLU 35 2HG GLU 35 -16.579 4.085 -7.484 215 H GLN 36 H GLN 36 -15.464 2.997 -6.168 216 HA GLN 36 HA GLN 36 -16.478 4.578 -4.166 217 HB2 GLN 36 1HB GLN 36 -16.029 1.617 -4.353 218 HB3 GLN 36 2HB GLN 36 -16.703 2.323 -2.890 219 HG2 GLN 36 1HG GLN 36 -18.615 3.098 -4.019 220 HG3 GLN 36 2HG GLN 36 -17.890 2.815 -5.600 221 HE21 GLN 36 1HE2 GLN 36 -19.836 1.631 -6.064 222 HE22 GLN 36 2HE2 GLN 36 -19.989 -0.009 -5.542 223 H CYS 37 H CYS 37 -13.329 3.223 -4.404 224 HA CYS 37 HA CYS 37 -12.622 3.139 -1.677 225 HB2 CYS 37 1HB CYS 37 -11.393 2.308 -3.890 226 HB3 CYS 37 2HB CYS 37 -10.564 3.851 -3.711 227 HA PRO 38 HA PRO 38 -12.712 7.577 -1.039 228 HB2 PRO 38 1HB PRO 38 -12.275 7.439 1.637 229 HB3 PRO 38 2HB PRO 38 -13.856 7.139 0.905 230 HG2 PRO 38 1HG PRO 38 -11.793 5.177 1.830 231 HG3 PRO 38 2HG PRO 38 -13.552 5.138 2.050 232 HD2 PRO 38 1HD PRO 38 -12.288 3.678 0.152 233 HD3 PRO 38 2HD PRO 38 -13.926 4.326 -0.075 234 H ILE 39 H ILE 39 -10.180 5.453 -1.063 235 HA ILE 39 HA ILE 39 -8.242 7.446 -0.100 236 HB ILE 39 HB ILE 39 -7.802 4.505 -0.624 237 HG12 ILE 39 1HG1 ILE 39 -7.958 5.935 2.034 238 HG13 ILE 39 2HG1 ILE 39 -9.310 5.064 1.318 239 HG21 ILE 39 1HG2 ILE 39 -5.661 5.146 -0.724 240 HG22 ILE 39 2HG2 ILE 39 -6.014 6.743 -0.066 241 HG23 ILE 39 3HG2 ILE 39 -5.794 5.371 1.020 242 HD11 ILE 39 1HD1 ILE 39 -8.363 3.574 2.840 243 HD12 ILE 39 2HD1 ILE 39 -7.759 3.047 1.269 244 HD13 ILE 39 3HD1 ILE 39 -6.718 3.976 2.348 245 H GLU 40 H GLU 40 -8.397 4.922 -2.622 246 HA GLU 40 HA GLU 40 -7.431 4.821 -4.693 247 HB2 GLU 40 1HB GLU 40 -8.679 7.557 -4.612 248 HB3 GLU 40 2HB GLU 40 -7.892 6.951 -6.062 249 HG2 GLU 40 1HG GLU 40 -9.434 5.122 -6.207 250 HG3 GLU 40 2HG GLU 40 -10.154 5.553 -4.657 251 H TRP 41 H TRP 41 -5.596 5.489 -2.623 252 HA TRP 41 HA TRP 41 -3.447 6.496 -4.218 253 HB2 TRP 41 1HB TRP 41 -4.483 8.176 -1.930 254 HB3 TRP 41 2HB TRP 41 -2.877 8.369 -2.628 255 HD1 TRP 41 HD1 TRP 41 -6.208 9.786 -2.894 256 HE1 TRP 41 HE1 TRP 41 -6.519 11.061 -5.108 257 HE3 TRP 41 HE3 TRP 41 -2.142 8.008 -5.432 258 HZ2 TRP 41 HZ2 TRP 41 -5.213 11.283 -7.601 259 HZ3 TRP 41 HZ3 TRP 41 -1.745 8.801 -7.727 260 HH2 TRP 41 HH2 TRP 41 -3.250 10.404 -8.788 261 H PHE 42 H PHE 42 -1.825 5.199 -3.700 262 HA PHE 42 HA PHE 42 -1.209 4.700 -0.896 263 HB2 PHE 42 1HB PHE 42 -1.570 2.448 -2.885 264 HB3 PHE 42 2HB PHE 42 -1.028 2.279 -1.218 265 HD1 PHE 42 HD1 PHE 42 -3.888 2.951 -3.400 266 HD2 PHE 42 HD2 PHE 42 -2.577 2.427 0.616 267 HE1 PHE 42 HE1 PHE 42 -6.226 2.707 -2.672 268 HE2 PHE 42 HE2 PHE 42 -4.912 2.182 1.350 269 HZ PHE 42 HZ PHE 42 -6.740 2.321 -0.294 270 H HIS 43 H HIS 43 0.949 4.214 -0.502 271 HA HIS 43 HA HIS 43 2.789 5.126 -2.495 272 HB2 HIS 43 1HB HIS 43 3.382 3.835 0.176 273 HB3 HIS 43 2HB HIS 43 4.501 4.781 -0.802 274 HD2 HIS 43 HD2 HIS 43 3.014 7.509 -1.282 275 HE1 HIS 43 HE1 HIS 43 2.065 7.487 2.853 276 HE2 HIS 43 HE2 HIS 43 2.157 8.866 0.747 277 H PHE 44 H PHE 44 4.490 3.964 -3.459 278 HA PHE 44 HA PHE 44 3.798 1.342 -4.301 279 HB2 PHE 44 1HB PHE 44 6.120 3.174 -4.761 280 HB3 PHE 44 2HB PHE 44 6.256 1.482 -5.231 281 HD1 PHE 44 HD2 PHE 44 3.685 4.180 -5.501 282 HD2 PHE 44 HD1 PHE 44 5.850 1.071 -7.441 283 HE1 PHE 44 HE2 PHE 44 2.506 4.674 -7.603 284 HE2 PHE 44 HE1 PHE 44 4.675 1.561 -9.546 285 HZ PHE 44 HZ PHE 44 2.999 3.364 -9.629 286 H SER 45 H SER 45 6.561 2.546 -2.394 287 HA SER 45 HA SER 45 7.755 0.147 -1.776 288 HB2 SER 45 1HB SER 45 8.787 2.258 -1.178 289 HB3 SER 45 2HB SER 45 7.488 2.612 -0.039 290 HG SER 45 HG SER 45 9.642 1.568 0.663 291 H CYS 46 H CYS 46 4.940 1.639 -0.287 292 HA CYS 46 HA CYS 46 4.743 -0.222 1.867 293 HB2 CYS 46 1HB CYS 46 2.886 1.828 0.687 294 HB3 CYS 46 2HB CYS 46 2.330 0.718 1.936 295 H VAL 47 H VAL 47 3.088 0.112 -1.257 296 HA VAL 47 HA VAL 47 1.657 -2.379 -0.862 297 HB VAL 47 HB VAL 47 0.765 -1.941 -3.154 298 HG11 VAL 47 1HG1 VAL 47 0.389 0.536 -1.523 299 HG12 VAL 47 2HG1 VAL 47 -0.802 -0.407 -2.421 300 HG13 VAL 47 3HG1 VAL 47 -0.151 -1.023 -0.902 301 HG21 VAL 47 1HG2 VAL 47 1.360 0.756 -3.507 302 HG22 VAL 47 2HG2 VAL 47 2.908 -0.003 -3.136 303 HG23 VAL 47 3HG2 VAL 47 1.937 -0.594 -4.485 304 H SER 48 H SER 48 4.666 -2.203 -1.147 305 HA SER 48 HA SER 48 6.384 -3.220 -2.273 306 HB2 SER 48 1HB SER 48 5.137 -5.085 -1.089 307 HB3 SER 48 2HB SER 48 4.373 -5.447 -2.637 308 HG SER 48 HG SER 48 6.501 -5.744 -3.490 309 H LEU 49 H LEU 49 5.420 -1.459 -3.980 310 HA LEU 49 HA LEU 49 5.019 -2.904 -6.515 311 HB2 LEU 49 1HB LEU 49 3.981 -0.357 -5.443 312 HB3 LEU 49 2HB LEU 49 4.424 -0.356 -7.149 313 HG LEU 49 HG LEU 49 2.384 -2.135 -5.816 314 HD11 LEU 49 1HD1 LEU 49 1.282 -0.708 -7.947 315 HD12 LEU 49 2HD1 LEU 49 2.255 0.459 -7.052 316 HD13 LEU 49 3HD1 LEU 49 0.994 -0.456 -6.225 317 HD21 LEU 49 1HD2 LEU 49 2.575 -3.539 -7.521 318 HD22 LEU 49 2HD2 LEU 49 3.925 -2.594 -8.150 319 HD23 LEU 49 3HD2 LEU 49 2.276 -2.221 -8.655 320 H THR 50 H THR 50 6.676 -2.946 -7.868 321 HA THR 50 HA THR 50 8.976 -1.238 -7.399 322 HB THR 50 HB THR 50 10.115 -2.596 -9.077 323 HG1 THR 50 HG1 THR 50 7.500 -3.583 -9.510 324 HG21 THR 50 1HG2 THR 50 10.442 -4.337 -7.674 325 HG22 THR 50 2HG2 THR 50 8.724 -4.732 -7.599 326 HG23 THR 50 3HG2 THR 50 9.373 -3.426 -6.608 327 H TYR 51 H TYR 51 6.412 -1.640 -9.748 328 HA TYR 51 HA TYR 51 6.972 0.954 -10.864 329 HB2 TYR 51 1HB TYR 51 6.960 -0.090 -13.246 330 HB3 TYR 51 2HB TYR 51 8.459 -0.084 -12.325 331 HD1 TYR 51 HD2 TYR 51 5.580 -2.214 -13.295 332 HD2 TYR 51 HD1 TYR 51 9.567 -2.097 -11.815 333 HE1 TYR 51 HE2 TYR 51 5.743 -4.653 -13.561 334 HE2 TYR 51 HE1 TYR 51 9.742 -4.536 -12.078 335 HH TYR 51 HH TYR 51 8.295 -6.481 -12.222 336 H LYS 52 H LYS 52 5.201 1.863 -11.844 337 HA LYS 52 HA LYS 52 2.691 1.343 -11.135 338 HB2 LYS 52 1HB LYS 52 3.811 2.480 -13.648 339 HB3 LYS 52 2HB LYS 52 2.088 2.131 -13.612 340 HG2 LYS 52 1HG LYS 52 3.452 3.789 -11.511 341 HG3 LYS 52 2HG LYS 52 2.772 4.476 -12.988 342 HD2 LYS 52 1HD LYS 52 1.183 2.772 -11.079 343 HD3 LYS 52 2HD LYS 52 1.273 4.531 -10.956 344 HE2 LYS 52 1HE LYS 52 0.323 3.010 -13.382 345 HE3 LYS 52 2HE LYS 52 -0.730 3.743 -12.173 346 HZ1 LYS 52 1HZ LYS 52 0.858 5.798 -12.853 347 HZ2 LYS 52 2HZ LYS 52 -0.661 5.499 -13.534 348 HZ3 LYS 52 3HZ LYS 52 0.739 4.979 -14.329 349 HA PRO 53 HA PRO 53 1.767 -2.718 -12.690 350 HB2 PRO 53 1HB PRO 53 -0.814 -2.774 -11.850 351 HB3 PRO 53 2HB PRO 53 0.556 -3.008 -10.759 352 HG2 PRO 53 1HG PRO 53 -1.071 -0.545 -11.254 353 HG3 PRO 53 2HG PRO 53 -0.489 -1.211 -9.717 354 HD2 PRO 53 1HD PRO 53 0.737 0.855 -10.967 355 HD3 PRO 53 2HD PRO 53 1.625 -0.334 -9.994 356 H LYS 54 H LYS 54 1.024 -3.432 -14.603 357 HA LYS 54 HA LYS 54 -0.190 -1.575 -16.425 358 HB2 LYS 54 1HB LYS 54 0.753 -4.417 -16.612 359 HB3 LYS 54 2HB LYS 54 -0.225 -3.725 -17.900 360 HG2 LYS 54 1HG LYS 54 1.542 -1.812 -17.836 361 HG3 LYS 54 2HG LYS 54 2.543 -3.029 -17.041 362 HD2 LYS 54 1HD LYS 54 2.205 -4.542 -18.937 363 HD3 LYS 54 2HD LYS 54 1.201 -3.325 -19.729 364 HE2 LYS 54 1HE LYS 54 4.079 -2.895 -18.944 365 HE3 LYS 54 2HE LYS 54 3.562 -3.421 -20.545 366 HZ1 LYS 54 1HZ LYS 54 2.052 -1.186 -19.927 367 HZ2 LYS 54 2HZ LYS 54 3.302 -1.298 -21.061 368 HZ3 LYS 54 3HZ LYS 54 3.639 -0.806 -19.478 369 H GLY 55 H GLY 55 -2.240 -1.619 -17.299 370 HA2 GLY 55 1HA GLY 55 -4.432 -2.355 -17.608 371 HA3 GLY 55 2HA GLY 55 -4.107 -3.702 -16.527 372 H LYS 56 H LYS 56 -4.681 -3.564 -14.418 373 HA LYS 56 HA LYS 56 -5.525 -0.971 -13.355 374 HB2 LYS 56 1HB LYS 56 -7.631 -1.879 -12.531 375 HB3 LYS 56 2HB LYS 56 -7.547 -2.021 -14.282 376 HG2 LYS 56 1HG LYS 56 -6.691 -4.323 -12.595 377 HG3 LYS 56 2HG LYS 56 -8.413 -4.004 -12.821 378 HD2 LYS 56 1HD LYS 56 -8.104 -4.089 -15.251 379 HD3 LYS 56 2HD LYS 56 -6.384 -4.414 -15.020 380 HE2 LYS 56 1HE LYS 56 -7.390 -6.510 -15.421 381 HE3 LYS 56 2HE LYS 56 -7.087 -6.447 -13.686 382 HZ1 LYS 56 1HZ LYS 56 -9.279 -6.389 -13.211 383 HZ2 LYS 56 2HZ LYS 56 -9.410 -7.169 -14.705 384 HZ3 LYS 56 3HZ LYS 56 -9.689 -5.505 -14.594 385 H TRP 57 H TRP 57 -5.620 -0.881 -11.053 386 HA TRP 57 HA TRP 57 -4.423 -3.165 -9.649 387 HB2 TRP 57 1HB TRP 57 -2.608 -1.591 -10.154 388 HB3 TRP 57 2HB TRP 57 -3.513 -0.291 -9.384 389 HD1 TRP 57 HD1 TRP 57 -1.468 -3.416 -8.553 390 HE1 TRP 57 HE1 TRP 57 -0.848 -3.353 -6.056 391 HE3 TRP 57 HE3 TRP 57 -4.268 0.615 -7.123 392 HZ2 TRP 57 HZ2 TRP 57 -1.465 -1.801 -3.781 393 HZ3 TRP 57 HZ3 TRP 57 -4.198 1.324 -4.768 394 HH2 TRP 57 HH2 TRP 57 -2.825 0.139 -3.133 395 H TYR 58 H TYR 58 -5.579 -3.705 -7.927 396 HA TYR 58 HA TYR 58 -7.362 -1.681 -6.747 397 HB2 TYR 58 1HB TYR 58 -7.612 -4.667 -7.024 398 HB3 TYR 58 2HB TYR 58 -8.570 -3.774 -5.848 399 HD1 TYR 58 HD1 TYR 58 -7.887 -4.180 -9.459 400 HD2 TYR 58 HD2 TYR 58 -10.470 -2.515 -6.516 401 HE1 TYR 58 HE1 TYR 58 -9.535 -3.658 -11.209 402 HE2 TYR 58 HE2 TYR 58 -12.125 -1.990 -8.258 403 HH TYR 58 HH TYR 58 -12.447 -3.245 -10.928 404 H CYS 59 H CYS 59 -6.699 -0.907 -4.867 405 HA CYS 59 HA CYS 59 -4.572 -1.561 -3.362 406 HB2 CYS 59 1HB CYS 59 -5.563 -0.429 -1.514 407 HB3 CYS 59 2HB CYS 59 -6.200 0.335 -2.967 408 HA PRO 60 HA PRO 60 -5.086 -5.472 -1.440 409 HB2 PRO 60 1HB PRO 60 -3.851 -5.070 0.944 410 HB3 PRO 60 2HB PRO 60 -2.971 -5.201 -0.584 411 HG2 PRO 60 1HG PRO 60 -3.761 -2.750 0.942 412 HG3 PRO 60 2HG PRO 60 -2.226 -3.119 0.136 413 HD2 PRO 60 1HD PRO 60 -4.107 -1.520 -0.975 414 HD3 PRO 60 2HD PRO 60 -3.038 -2.553 -1.946 415 H LYS 61 H LYS 61 -6.786 -2.816 -0.464 416 HA LYS 61 HA LYS 61 -8.006 -4.114 1.861 417 HB2 LYS 61 1HB LYS 61 -7.834 -1.326 0.858 418 HB3 LYS 61 2HB LYS 61 -9.310 -1.769 1.706 419 HG2 LYS 61 1HG LYS 61 -7.546 -2.740 3.445 420 HG3 LYS 61 2HG LYS 61 -6.547 -1.477 2.722 421 HD2 LYS 61 1HD LYS 61 -9.334 -0.872 3.636 422 HD3 LYS 61 2HD LYS 61 -8.003 -0.915 4.794 423 HE2 LYS 61 1HE LYS 61 -6.826 0.656 3.087 424 HE3 LYS 61 2HE LYS 61 -8.461 0.942 2.493 425 HZ1 LYS 61 1HZ LYS 61 -7.292 2.280 4.521 426 HZ2 LYS 61 2HZ LYS 61 -8.208 1.130 5.356 427 HZ3 LYS 61 3HZ LYS 61 -8.962 2.181 4.265 428 H CYS 62 H CYS 62 -8.663 -3.163 -1.431 429 HA CYS 62 HA CYS 62 -11.488 -3.823 -1.199 430 HB2 CYS 62 1HB CYS 62 -9.805 -2.826 -3.503 431 HB3 CYS 62 2HB CYS 62 -11.515 -3.221 -3.651 432 H ARG 63 H ARG 63 -8.530 -5.122 -2.574 433 HA ARG 63 HA ARG 63 -9.886 -7.294 -3.905 434 HB2 ARG 63 1HB ARG 63 -7.717 -8.003 -4.620 435 HB3 ARG 63 2HB ARG 63 -7.767 -6.250 -4.752 436 HG2 ARG 63 1HG ARG 63 -6.313 -5.939 -2.992 437 HG3 ARG 63 2HG ARG 63 -6.672 -7.514 -2.282 438 HD2 ARG 63 1HD ARG 63 -4.580 -7.878 -3.173 439 HD3 ARG 63 2HD ARG 63 -5.622 -8.432 -4.484 440 HE ARG 63 HE ARG 63 -4.779 -5.660 -4.616 441 HH11 ARG 63 1HH1 ARG 63 -4.223 -8.949 -5.613 442 HH12 ARG 63 2HH1 ARG 63 -3.289 -8.507 -7.004 443 HH21 ARG 63 1HH2 ARG 63 -3.551 -5.065 -6.444 444 HH22 ARG 63 2HH2 ARG 63 -2.907 -6.298 -7.475 445 H GLY 64 H GLY 64 -9.996 -6.879 -0.900 446 HA2 GLY 64 1HA GLY 64 -10.507 -9.200 0.164 447 HA3 GLY 64 2HA GLY 64 -8.767 -9.386 0.008 448 H ASP 65 H ASP 65 -11.131 -8.633 2.129 449 HA ASP 65 HA ASP 65 -10.350 -6.390 3.522 450 HB2 ASP 65 1HB ASP 65 -11.414 -8.999 4.622 451 HB3 ASP 65 2HB ASP 65 -11.329 -7.493 5.531 452 H SER 66 H SER 66 -9.367 -9.723 4.343 453 HA SER 66 HA SER 66 -6.881 -8.599 5.461 454 HB2 SER 66 1HB SER 66 -8.752 -10.667 6.503 455 HB3 SER 66 2HB SER 66 -7.030 -10.921 6.783 456 HG SER 66 HG SER 66 -8.557 -9.476 8.237 457 H GLY 67 H GLY 67 -8.236 -11.652 4.196 458 HA2 GLY 67 1HA GLY 67 -6.150 -11.917 2.258 459 HA3 GLY 67 2HA GLY 67 -5.896 -12.984 3.632 460 HA PRO 68 HA PRO 68 -8.759 -15.946 2.132 461 HB2 PRO 68 1HB PRO 68 -10.472 -16.432 4.181 462 HB3 PRO 68 2HB PRO 68 -8.785 -16.957 4.195 463 HG2 PRO 68 1HG PRO 68 -10.035 -14.569 5.496 464 HG3 PRO 68 2HG PRO 68 -8.832 -15.697 6.148 465 HD2 PRO 68 1HD PRO 68 -8.166 -13.261 5.171 466 HD3 PRO 68 2HD PRO 68 -7.086 -14.665 5.053 467 H SER 69 H SER 69 -9.788 -12.848 2.680 468 HA SER 69 HA SER 69 -12.580 -13.343 1.970 469 HB2 SER 69 1HB SER 69 -11.173 -10.752 2.660 470 HB3 SER 69 2HB SER 69 -12.907 -10.943 2.400 471 HG SER 69 HG SER 69 -13.107 -11.881 4.302 472 H SER 70 H SER 70 -13.047 -13.518 -0.112 473 HA SER 70 HA SER 70 -12.949 -13.302 -2.382 474 HB2 SER 70 1HB SER 70 -12.487 -10.459 -1.471 475 HB3 SER 70 2HB SER 70 -12.723 -10.892 -3.164 476 HG SER 70 HG SER 70 -14.632 -12.038 -1.680 477 H GLY 71 H GLY 71 -10.577 -14.283 -1.306 478 HA2 GLY 71 1HA GLY 71 -8.451 -12.873 -2.766 479 HA3 GLY 71 2HA GLY 71 -8.205 -14.083 -1.515
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