NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
584876 | 2mvd | 25261 | 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 2H0 GLY 1 4.256 1.683 -0.358 2 H2 GLY 1 1H0 GLY 1 3.030 1.986 0.673 3 HA2 GLY 1 1HA GLY 1 1.887 -0.100 0.273 4 HA3 GLY 1 2HA GLY 1 2.281 0.733 -1.291 5 H ILE 2 H ILE 2 5.023 -0.263 0.084 6 HA ILE 2 HA ILE 2 5.680 -2.164 -1.941 7 HB ILE 2 HB ILE 2 7.291 -0.756 -0.607 8 HG12 ILE 2 1HG1 ILE 2 7.939 -3.718 -0.537 9 HG13 ILE 2 2HG1 ILE 2 8.100 -2.702 -1.975 10 HG21 ILE 2 1HG2 ILE 2 6.978 -2.830 1.639 11 HG22 ILE 2 2HG2 ILE 2 8.065 -1.430 1.614 12 HG23 ILE 2 3HG2 ILE 2 6.314 -1.219 1.703 13 HD11 ILE 2 3HD1 ILE 2 10.337 -2.734 -1.084 14 HD12 ILE 2 1HD1 ILE 2 9.711 -1.261 -0.316 15 HD13 ILE 2 2HD1 ILE 2 9.756 -2.765 0.589 16 H VAL 3 H VAL 3 4.331 -2.713 1.302 17 HA VAL 3 HA VAL 3 5.001 -5.533 1.448 18 HB VAL 3 HB VAL 3 2.631 -4.204 2.840 19 HG11 VAL 3 1HG1 VAL 3 2.935 -6.009 4.462 20 HG12 VAL 3 2HG1 VAL 3 2.798 -6.751 2.831 21 HG13 VAL 3 3HG1 VAL 3 4.409 -6.544 3.630 22 HG21 VAL 3 3HG2 VAL 3 5.542 -4.424 3.736 23 HG22 VAL 3 1HG2 VAL 3 4.763 -2.899 3.266 24 HG23 VAL 3 2HG2 VAL 3 4.206 -3.779 4.693 25 H GLU 4 H GLU 4 1.956 -3.890 0.485 26 HA GLU 4 HA GLU 4 0.602 -6.265 -0.270 27 HB2 GLU 4 1HB GLU 4 0.153 -3.361 -1.085 28 HB3 GLU 4 2HB GLU 4 -0.936 -4.676 -1.535 29 HG2 GLU 4 1HG GLU 4 -1.361 -5.182 0.840 30 HG3 GLU 4 2HG GLU 4 -0.429 -3.775 1.348 31 HE2 GLU 4 HE2 GLU 4 -3.298 -4.852 0.804 32 H GLN 5 H GLN 5 2.738 -3.980 -2.032 33 HA GLN 5 HA GLN 5 2.271 -4.959 -4.640 34 HB2 GLN 5 1HB GLN 5 3.604 -2.896 -3.975 35 HB3 GLN 5 2HB GLN 5 4.943 -4.004 -3.551 36 HG2 GLN 5 1HG GLN 5 4.940 -4.863 -5.918 37 HG3 GLN 5 2HG GLN 5 3.800 -3.579 -6.353 38 HE21 GLN 5 2HE2 GLN 5 4.574 -1.326 -5.572 39 HE22 GLN 5 1HE2 GLN 5 6.273 -1.004 -5.778 40 H CYS 6 H CYS 6 4.874 -5.811 -2.304 41 HA CYS 6 HA CYS 6 5.986 -7.904 -3.910 42 HB2 CYS 6 1HB CYS 6 6.680 -6.672 -1.599 43 HB3 CYS 6 2HB CYS 6 6.149 -8.246 -0.979 44 H CYS 7 H CYS 7 3.576 -8.098 -1.193 45 HA CYS 7 HA CYS 7 3.351 -10.886 -1.124 46 HB2 CYS 7 1HB CYS 7 2.535 -9.056 0.475 47 HB3 CYS 7 2HB CYS 7 1.040 -9.059 -0.432 48 H THR 8 H THR 8 2.200 -8.808 -3.644 49 HA THR 8 HA THR 8 0.468 -10.996 -4.648 50 HB THR 8 HB THR 8 -0.686 -9.282 -5.982 51 HG1 THR 8 HG1 THR 8 0.551 -7.236 -4.374 52 HG21 THR 8 1HG2 THR 8 -1.742 -8.002 -4.098 53 HG22 THR 8 2HG2 THR 8 -0.599 -8.788 -2.989 54 HG23 THR 8 3HG2 THR 8 -1.737 -9.783 -3.902 55 H SER 9 H SER 9 3.232 -9.010 -5.247 56 HA SER 9 HA SER 9 3.587 -10.387 -7.846 57 HB2 SER 9 1HB SER 9 4.190 -7.490 -7.136 58 HB3 SER 9 2HB SER 9 4.428 -8.234 -8.714 59 HG SER 9 HG SER 9 2.098 -7.417 -7.419 60 H ILE 10 H ILE 10 5.406 -11.470 -7.866 61 HA ILE 10 HA ILE 10 7.194 -11.578 -5.708 62 HB ILE 10 HB ILE 10 7.688 -12.417 -8.612 63 HG12 ILE 10 1HG1 ILE 10 5.776 -13.611 -7.413 64 HG13 ILE 10 2HG1 ILE 10 7.041 -14.665 -8.052 65 HG21 ILE 10 1HG2 ILE 10 9.300 -12.757 -6.082 66 HG22 ILE 10 2HG2 ILE 10 9.401 -13.953 -7.374 67 HG23 ILE 10 3HG2 ILE 10 9.826 -12.303 -7.723 68 HD11 ILE 10 3HD1 ILE 10 6.185 -15.273 -5.790 69 HD12 ILE 10 1HD1 ILE 10 7.952 -15.074 -5.904 70 HD13 ILE 10 2HD1 ILE 10 6.992 -13.827 -5.154 71 H CYS 11 H CYS 11 8.750 -10.219 -5.057 72 HA CYS 11 HA CYS 11 9.578 -8.013 -6.723 73 HB2 CYS 11 1HB CYS 11 10.495 -8.942 -3.998 74 HB3 CYS 11 2HB CYS 11 11.029 -7.464 -4.767 75 H SER 12 H SER 12 11.026 -8.348 -8.346 76 HA SER 12 HA SER 12 13.159 -10.313 -8.105 77 HB2 SER 12 1HB SER 12 13.730 -8.136 -9.942 78 HB3 SER 12 2HB SER 12 13.330 -9.854 -10.272 79 HG SER 12 HG SER 12 11.727 -8.404 -11.150 80 H LEU 13 H LEU 13 15.292 -9.902 -7.501 81 HA LEU 13 HA LEU 13 15.853 -8.067 -5.440 82 HB2 LEU 13 1HB LEU 13 17.573 -9.633 -7.458 83 HB3 LEU 13 2HB LEU 13 18.354 -8.547 -6.297 84 HG LEU 13 HG LEU 13 16.619 -10.941 -5.599 85 HD11 LEU 13 1HD1 LEU 13 19.660 -10.459 -5.596 86 HD12 LEU 13 2HD1 LEU 13 18.765 -11.680 -6.464 87 HD13 LEU 13 3HD1 LEU 13 18.912 -11.777 -4.701 88 HD21 LEU 13 3HD2 LEU 13 17.687 -10.420 -3.271 89 HD22 LEU 13 1HD2 LEU 13 16.284 -9.514 -3.807 90 HD23 LEU 13 2HD2 LEU 13 17.921 -8.824 -3.894 91 H TYR 14 H TYR 14 16.346 -7.603 -8.933 92 HA TYR 14 HA TYR 14 17.951 -5.313 -8.817 93 HB2 TYR 14 1HB TYR 14 17.525 -6.503 -10.926 94 HB3 TYR 14 2HB TYR 14 15.798 -6.124 -10.831 95 HD1 TYR 14 HD1 TYR 14 14.982 -3.793 -11.186 96 HD2 TYR 14 HD2 TYR 14 19.151 -4.761 -11.597 97 HE1 TYR 14 HE1 TYR 14 15.469 -1.653 -12.514 98 HE2 TYR 14 HE2 TYR 14 19.574 -2.692 -12.916 99 HH TYR 14 HH TYR 14 18.674 -0.812 -13.698 100 H GLN 15 H GLN 15 14.401 -5.694 -8.740 101 HA GLN 15 HA GLN 15 13.965 -2.828 -8.424 102 HB2 GLN 15 1HB GLN 15 12.279 -5.299 -8.245 103 HB3 GLN 15 2HB GLN 15 11.648 -3.761 -7.653 104 HG2 GLN 15 1HG GLN 15 10.992 -3.480 -9.832 105 HG3 GLN 15 2HG GLN 15 12.688 -3.156 -10.211 106 HE21 GLN 15 2HE2 GLN 15 10.134 -4.939 -11.181 107 HE22 GLN 15 1HE2 GLN 15 10.993 -6.293 -11.871 108 H LEU 16 H LEU 16 14.103 -5.619 -6.212 109 HA LEU 16 HA LEU 16 13.179 -4.204 -3.936 110 HB2 LEU 16 1HB LEU 16 13.272 -6.679 -4.207 111 HB3 LEU 16 2HB LEU 16 15.015 -6.606 -4.084 112 HG LEU 16 HG LEU 16 13.683 -5.273 -1.828 113 HD11 LEU 16 1HD1 LEU 16 13.152 -8.210 -2.192 114 HD12 LEU 16 2HD1 LEU 16 11.945 -6.913 -2.398 115 HD13 LEU 16 3HD1 LEU 16 12.678 -7.208 -0.802 116 HD21 LEU 16 3HD2 LEU 16 15.123 -7.042 -0.571 117 HD22 LEU 16 1HD2 LEU 16 15.943 -5.776 -1.517 118 HD23 LEU 16 2HD2 LEU 16 15.774 -7.442 -2.202 119 H GLU 17 H GLU 17 16.466 -4.662 -5.156 120 HA GLU 17 HA GLU 17 17.884 -3.387 -3.033 121 HB2 GLU 17 1HB GLU 17 18.316 -3.762 -6.000 122 HB3 GLU 17 2HB GLU 17 19.546 -2.911 -5.006 123 HG2 GLU 17 1HG GLU 17 19.762 -4.882 -3.573 124 HG3 GLU 17 2HG GLU 17 18.498 -5.732 -4.554 125 HE2 GLU 17 HE2 GLU 17 21.519 -5.463 -4.052 126 H ASN 18 H ASN 18 15.983 -2.071 -5.766 127 HA ASN 18 HA ASN 18 17.196 0.493 -5.653 128 HB2 ASN 18 1HB ASN 18 15.561 -0.453 -7.426 129 HB3 ASN 18 2HB ASN 18 14.249 0.060 -6.351 130 HD21 ASN 18 2HD2 ASN 18 13.476 1.928 -6.919 131 HD22 ASN 18 1HD2 ASN 18 14.356 3.217 -7.626 132 H TYR 19 H TYR 19 14.957 -1.023 -3.423 133 HA TYR 19 HA TYR 19 13.971 1.499 -2.363 134 HB2 TYR 19 1HB TYR 19 13.800 -1.405 -1.372 135 HB3 TYR 19 2HB TYR 19 13.109 -0.035 -0.474 136 HD1 TYR 19 HD2 TYR 19 12.932 -1.944 -3.718 137 HD2 TYR 19 HD1 TYR 19 10.987 0.913 -1.154 138 HE1 TYR 19 HE2 TYR 19 10.945 -2.228 -5.090 139 HE2 TYR 19 HE1 TYR 19 8.832 0.566 -2.488 140 HH TYR 19 HH TYR 19 8.594 -1.654 -5.246 141 H CYS 20 H CYS 20 16.857 -0.421 -1.875 142 HA CYS 20 HA CYS 20 17.677 1.439 0.248 143 HB2 CYS 20 1HB CYS 20 16.241 -0.425 1.281 144 HB3 CYS 20 2HB CYS 20 17.573 -1.521 0.904 145 H ASN 21 H ASN 21 19.681 1.963 -0.250 146 HA ASN 21 HA ASN 21 21.278 0.119 -1.906 147 HB2 ASN 21 1HB ASN 21 21.799 3.007 -0.896 148 HB3 ASN 21 2HB ASN 21 22.902 2.061 -1.903 149 HD21 ASN 21 2HD2 ASN 21 21.781 1.019 -3.875 150 HD22 ASN 21 1HD2 ASN 21 20.681 2.076 -4.732 151 HXT ASN 21 H02 ASN 21 22.914 0.429 1.580 152 H1 PHE 31 2H0 PHE 31 19.282 -16.745 -3.516 153 H2 PHE 31 1H0 PHE 31 20.180 -15.621 -2.682 154 HA PHE 31 HA PHE 31 17.965 -15.524 -1.251 155 HB2 PHE 31 1HB PHE 31 19.212 -13.671 -2.166 156 HB3 PHE 31 2HB PHE 31 18.589 -13.948 -3.831 157 HD1 PHE 31 HD1 PHE 31 16.208 -13.599 -4.344 158 HD2 PHE 31 HD2 PHE 31 17.832 -12.478 -0.538 159 HE1 PHE 31 HE1 PHE 31 14.249 -12.234 -3.951 160 HE2 PHE 31 HE2 PHE 31 15.851 -11.162 -0.044 161 HZ PHE 31 HZ PHE 31 14.012 -11.005 -1.828 162 H VAL 32 H VAL 32 15.933 -16.235 -1.300 163 HA VAL 32 HA VAL 32 15.068 -17.488 -3.903 164 HB VAL 32 HB VAL 32 13.095 -18.365 -2.558 165 HG11 VAL 32 1HG1 VAL 32 14.326 -20.120 -1.419 166 HG12 VAL 32 2HG1 VAL 32 15.327 -19.632 -2.810 167 HG13 VAL 32 3HG1 VAL 32 15.735 -19.077 -1.210 168 HG21 VAL 32 3HG2 VAL 32 13.078 -18.218 -0.066 169 HG22 VAL 32 1HG2 VAL 32 14.628 -17.303 -0.084 170 HG23 VAL 32 2HG2 VAL 32 13.123 -16.560 -0.768 171 H ASN 33 H ASN 33 13.799 -16.502 -5.217 172 HA ASN 33 HA ASN 33 12.743 -13.854 -4.709 173 HB2 ASN 33 1HB ASN 33 12.821 -15.744 -7.046 174 HB3 ASN 33 2HB ASN 33 11.762 -14.310 -7.115 175 HD21 ASN 33 2HD2 ASN 33 12.675 -12.959 -8.484 176 HD22 ASN 33 1HD2 ASN 33 14.361 -12.392 -8.343 177 H GLN 34 H GLN 34 11.121 -13.780 -3.289 178 HA GLN 34 HA GLN 34 8.822 -15.695 -3.678 179 HB2 GLN 34 1HB GLN 34 10.392 -14.993 -1.184 180 HB3 GLN 34 2HB GLN 34 8.755 -15.653 -1.057 181 HG2 GLN 34 1HG GLN 34 11.107 -17.078 -2.422 182 HG3 GLN 34 2HG GLN 34 10.542 -17.392 -0.799 183 HE21 GLN 34 2HE2 GLN 34 10.608 -19.004 -3.422 184 HE22 GLN 34 1HE2 GLN 34 8.980 -19.643 -3.526 185 H HIS 35 H HIS 35 6.883 -14.887 -2.320 186 HA HIS 35 HA HIS 35 6.373 -12.124 -3.165 187 HB2 HIS 35 1HB HIS 35 4.824 -14.225 -1.650 188 HB3 HIS 35 2HB HIS 35 4.246 -12.578 -1.800 189 HD1 HIS 35 HD1 HIS 35 4.427 -11.636 -4.458 190 HD2 HIS 35 HD2 HIS 35 3.556 -15.666 -3.651 191 HE1 HIS 35 HE1 HIS 35 3.252 -12.626 -6.565 192 HE2 HIS 35 HE2 HIS 35 2.726 -15.028 -6.034 193 H LEU 36 H LEU 36 7.312 -13.659 -0.174 194 HA LEU 36 HA LEU 36 7.696 -12.819 1.940 195 HB2 LEU 36 1HB LEU 36 8.580 -10.449 0.226 196 HB3 LEU 36 2HB LEU 36 9.023 -10.739 1.907 197 HG LEU 36 HG LEU 36 9.779 -12.552 -0.440 198 HD11 LEU 36 1HD1 LEU 36 11.493 -10.533 1.050 199 HD12 LEU 36 2HD1 LEU 36 10.924 -10.375 -0.598 200 HD13 LEU 36 3HD1 LEU 36 12.057 -11.672 -0.172 201 HD21 LEU 36 3HD2 LEU 36 11.392 -13.506 1.287 202 HD22 LEU 36 1HD2 LEU 36 9.674 -13.750 1.703 203 HD23 LEU 36 2HD2 LEU 36 10.604 -12.478 2.532 204 H CYS 37 H CYS 37 5.513 -12.612 2.759 205 HA CYS 37 HA CYS 37 4.311 -9.969 2.524 206 HB2 CYS 37 1HB CYS 37 3.281 -12.405 2.449 207 HB3 CYS 37 2HB CYS 37 3.049 -12.109 4.182 208 H GLY 38 H GLY 38 3.717 -8.741 4.452 209 HA2 GLY 38 1HA GLY 38 3.795 -7.945 6.583 210 HA3 GLY 38 2HA GLY 38 4.046 -9.642 7.043 211 H SER 39 H SER 39 5.558 -9.682 8.546 212 HA SER 39 HA SER 39 7.757 -7.837 8.716 213 HB2 SER 39 1HB SER 39 7.518 -10.588 10.054 214 HB3 SER 39 2HB SER 39 8.593 -9.275 10.499 215 HG SER 39 HG SER 39 5.772 -9.004 10.446 216 H HIS 40 H HIS 40 7.415 -10.988 7.083 217 HA HIS 40 HA HIS 40 10.216 -11.619 6.933 218 HB2 HIS 40 1HB HIS 40 7.807 -12.363 5.149 219 HB3 HIS 40 2HB HIS 40 9.489 -12.722 4.615 220 HD1 HIS 40 HD1 HIS 40 7.341 -14.905 5.379 221 HD2 HIS 40 HD2 HIS 40 10.449 -13.524 7.775 222 HE1 HIS 40 HE1 HIS 40 7.874 -16.809 7.092 223 HE2 HIS 40 HE2 HIS 40 9.745 -15.899 8.531 224 H LEU 41 H LEU 41 8.236 -9.385 4.948 225 HA LEU 41 HA LEU 41 10.160 -9.020 2.917 226 HB2 LEU 41 1HB LEU 41 7.809 -8.320 2.705 227 HB3 LEU 41 2HB LEU 41 8.002 -7.110 3.931 228 HG LEU 41 HG LEU 41 9.622 -5.879 2.482 229 HD11 LEU 41 1HD1 LEU 41 9.811 -6.528 0.054 230 HD12 LEU 41 2HD1 LEU 41 8.874 -8.011 0.400 231 HD13 LEU 41 3HD1 LEU 41 10.491 -7.750 1.112 232 HD21 LEU 41 3HD2 LEU 41 8.010 -5.030 0.946 233 HD22 LEU 41 1HD2 LEU 41 7.202 -5.426 2.462 234 HD23 LEU 41 2HD2 LEU 41 7.031 -6.486 1.046 235 H VAL 42 H VAL 42 9.541 -7.093 5.946 236 HA VAL 42 HA VAL 42 11.632 -5.267 5.177 237 HB VAL 42 HB VAL 42 11.389 -4.384 7.501 238 HG11 VAL 42 1HG1 VAL 42 8.826 -4.672 5.888 239 HG12 VAL 42 2HG1 VAL 42 9.199 -3.415 7.085 240 HG13 VAL 42 3HG1 VAL 42 10.185 -3.506 5.628 241 HG21 VAL 42 3HG2 VAL 42 10.603 -6.525 8.603 242 HG22 VAL 42 1HG2 VAL 42 9.642 -5.127 9.003 243 HG23 VAL 42 2HG2 VAL 42 9.025 -6.295 7.847 244 H GLU 43 H GLU 43 11.474 -8.204 7.064 245 HA GLU 43 HA GLU 43 14.118 -8.023 8.256 246 HB2 GLU 43 1HB GLU 43 12.194 -9.613 8.885 247 HB3 GLU 43 2HB GLU 43 12.592 -10.517 7.424 248 HG2 GLU 43 1HG GLU 43 14.789 -10.935 8.337 249 HG3 GLU 43 2HG GLU 43 14.366 -10.097 9.835 250 HE2 GLU 43 HE2 GLU 43 13.987 -11.377 11.234 251 H ALA 44 H ALA 44 12.889 -9.533 5.134 252 HA ALA 44 HA ALA 44 15.557 -10.458 4.432 253 HB1 ALA 44 3HB ALA 44 14.670 -10.769 2.215 254 HB2 ALA 44 1HB ALA 44 13.533 -11.359 3.476 255 HB3 ALA 44 2HB ALA 44 13.211 -9.793 2.637 256 H LEU 45 H LEU 45 13.759 -7.404 3.835 257 HA LEU 45 HA LEU 45 15.684 -6.312 1.980 258 HB2 LEU 45 1HB LEU 45 13.216 -5.728 2.538 259 HB3 LEU 45 2HB LEU 45 13.899 -4.744 3.824 260 HG LEU 45 HG LEU 45 14.858 -4.332 0.999 261 HD11 LEU 45 1HD1 LEU 45 12.466 -4.313 0.643 262 HD12 LEU 45 2HD1 LEU 45 12.945 -2.629 0.719 263 HD13 LEU 45 3HD1 LEU 45 12.169 -3.389 2.108 264 HD21 LEU 45 3HD2 LEU 45 14.876 -1.942 1.813 265 HD22 LEU 45 1HD2 LEU 45 15.988 -3.082 2.697 266 HD23 LEU 45 2HD2 LEU 45 14.450 -2.544 3.414 267 H TYR 46 H TYR 46 15.370 -6.186 5.525 268 HA TYR 46 HA TYR 46 17.565 -4.393 6.001 269 HB2 TYR 46 1HB TYR 46 16.037 -4.736 7.821 270 HB3 TYR 46 2HB TYR 46 16.183 -6.478 7.706 271 HD1 TYR 46 HD1 TYR 46 17.942 -3.398 8.738 272 HD2 TYR 46 HD2 TYR 46 18.027 -7.674 8.751 273 HE1 TYR 46 HE1 TYR 46 19.820 -3.331 10.444 274 HE2 TYR 46 HE2 TYR 46 19.829 -7.628 10.515 275 HH TYR 46 HH TYR 46 21.266 -6.382 11.658 276 H LEU 47 H LEU 47 17.346 -7.905 5.748 277 HA LEU 47 HA LEU 47 20.082 -8.508 6.454 278 HB2 LEU 47 1HB LEU 47 18.080 -9.939 4.723 279 HB3 LEU 47 2HB LEU 47 19.654 -10.571 5.054 280 HG LEU 47 HG LEU 47 17.697 -9.919 7.267 281 HD11 LEU 47 1HD1 LEU 47 18.145 -12.521 5.777 282 HD12 LEU 47 2HD1 LEU 47 16.622 -11.626 5.968 283 HD13 LEU 47 3HD1 LEU 47 17.351 -12.445 7.358 284 HD21 LEU 47 3HD2 LEU 47 19.133 -11.565 8.595 285 HD22 LEU 47 1HD2 LEU 47 19.985 -10.062 8.101 286 HD23 LEU 47 2HD2 LEU 47 20.259 -11.586 7.195 287 H VAL 48 H VAL 48 18.531 -7.768 3.252 288 HA VAL 48 HA VAL 48 21.146 -8.203 1.978 289 HB VAL 48 HB VAL 48 19.037 -8.758 0.825 290 HG11 VAL 48 1HG1 VAL 48 17.631 -6.856 1.452 291 HG12 VAL 48 2HG1 VAL 48 18.612 -5.764 0.524 292 HG13 VAL 48 3HG1 VAL 48 17.696 -7.028 -0.267 293 HG21 VAL 48 3HG2 VAL 48 19.773 -8.122 -1.314 294 HG22 VAL 48 1HG2 VAL 48 20.575 -6.640 -0.720 295 HG23 VAL 48 2HG2 VAL 48 21.242 -8.262 -0.329 296 H CYS 49 H CYS 49 19.376 -5.275 3.111 297 HA CYS 49 HA CYS 49 21.151 -3.542 1.548 298 HB2 CYS 49 1HB CYS 49 18.760 -3.079 2.367 299 HB3 CYS 49 2HB CYS 49 19.439 -2.798 3.984 300 H GLY 50 H GLY 50 20.941 -4.793 4.894 301 HA2 GLY 50 1HA GLY 50 22.592 -4.985 6.511 302 HA3 GLY 50 2HA GLY 50 23.742 -4.296 5.338 303 H GLU 51 H GLU 51 21.328 -3.697 7.832 304 HA GLU 51 HA GLU 51 21.124 -2.026 9.380 305 HB2 GLU 51 1HB GLU 51 23.991 -1.970 8.788 306 HB3 GLU 51 2HB GLU 51 23.383 -0.402 9.303 307 HG2 GLU 51 1HG GLU 51 22.552 -2.857 10.915 308 HG3 GLU 51 2HG GLU 51 24.185 -2.215 11.084 309 HE2 GLU 51 HE2 GLU 51 23.119 -0.051 13.320 310 H GLN 52 H GLN 52 21.129 0.286 9.881 311 HA GLN 52 HA GLN 52 20.121 2.309 9.445 312 HB2 GLN 52 1HB GLN 52 21.613 2.206 6.834 313 HB3 GLN 52 2HB GLN 52 20.857 3.632 7.563 314 HG2 GLN 52 1HG GLN 52 22.348 3.214 9.621 315 HG3 GLN 52 2HG GLN 52 23.219 2.037 8.621 316 HE21 GLN 52 2HE2 GLN 52 24.282 4.422 9.885 317 HE22 GLN 52 1HE2 GLN 52 24.867 5.402 8.575 318 H GLY 53 H GLY 53 18.426 0.219 9.056 319 HA2 GLY 53 1HA GLY 53 16.410 1.582 7.419 320 HA3 GLY 53 2HA GLY 53 16.953 0.042 6.716 321 H PHE 54 H PHE 54 14.584 1.327 8.435 322 HA PHE 54 HA PHE 54 13.021 0.544 9.890 323 HB2 PHE 54 1HB PHE 54 14.328 -2.133 9.892 324 HB3 PHE 54 2HB PHE 54 12.654 -1.738 10.286 325 HD1 PHE 54 HD1 PHE 54 11.315 -0.493 8.377 326 HD2 PHE 54 HD2 PHE 54 14.781 -2.901 7.668 327 HE1 PHE 54 HE1 PHE 54 10.678 -0.737 5.929 328 HE2 PHE 54 HE2 PHE 54 14.115 -3.227 5.308 329 HZ PHE 54 HZ PHE 54 12.075 -2.095 4.449 330 H PHE 55 H PHE 55 12.892 1.146 12.053 331 HA PHE 55 HA PHE 55 15.161 0.367 13.858 332 HB2 PHE 55 1HB PHE 55 15.524 2.655 12.667 333 HB3 PHE 55 2HB PHE 55 14.154 3.272 13.614 334 HD1 PHE 55 HD1 PHE 55 17.362 1.317 13.978 335 HD2 PHE 55 HD2 PHE 55 14.763 4.253 15.593 336 HE1 PHE 55 HE1 PHE 55 19.028 1.705 15.829 337 HE2 PHE 55 HE2 PHE 55 16.391 4.653 17.515 338 HZ PHE 55 HZ PHE 55 18.510 3.228 17.624 339 H TYR 56 H TYR 56 13.242 -1.105 14.397 340 HA TYR 56 HA TYR 56 11.935 0.279 16.667 341 HB2 TYR 56 1HB TYR 56 10.244 0.625 14.926 342 HB3 TYR 56 2HB TYR 56 10.299 -1.098 14.489 343 HD1 TYR 56 HD2 TYR 56 9.378 1.290 17.311 344 HD2 TYR 56 HD1 TYR 56 9.052 -2.755 15.730 345 HE1 TYR 56 HE2 TYR 56 7.719 0.709 19.137 346 HE2 TYR 56 HE1 TYR 56 7.311 -3.273 17.500 347 HH TYR 56 HH TYR 56 6.161 -2.576 19.212 348 H THR 57 H THR 57 11.542 -0.844 18.344 349 HA THR 57 HA THR 57 11.466 -3.783 18.219 350 HB THR 57 HB THR 57 13.851 -3.164 18.695 351 HG1 THR 57 HG1 THR 57 13.994 -4.480 20.486 352 HG21 THR 57 1HG2 THR 57 13.170 -1.013 19.973 353 HG22 THR 57 2HG2 THR 57 14.541 -1.940 20.556 354 HG23 THR 57 3HG2 THR 57 12.952 -2.083 21.362 355 HA PRO 58 HA PRO 58 8.264 -2.623 21.022 356 HB2 PRO 58 1HB PRO 58 7.401 -5.040 21.876 357 HB3 PRO 58 2HB PRO 58 7.145 -4.548 20.198 358 HG2 PRO 58 1HG PRO 58 9.373 -6.259 21.321 359 HG3 PRO 58 2HG PRO 58 8.281 -6.609 19.977 360 HD2 PRO 58 1HD PRO 58 10.776 -5.614 19.595 361 HD3 PRO 58 2HD PRO 58 9.396 -5.103 18.530 362 H LYS 59 H LYS 59 7.815 -2.503 23.330 363 HA LYS 59 HA LYS 59 9.767 -3.714 25.191 364 HB2 LYS 59 1HB LYS 59 9.059 -0.767 24.908 365 HB3 LYS 59 2HB LYS 59 9.764 -1.440 26.390 366 HG2 LYS 59 1HG LYS 59 11.065 -1.423 23.584 367 HG3 LYS 59 2HG LYS 59 11.380 -0.275 24.866 368 HD2 LYS 59 1HD LYS 59 12.111 -2.204 26.329 369 HD3 LYS 59 2HD LYS 59 11.888 -3.293 24.956 370 HE2 LYS 59 1HE LYS 59 14.222 -2.754 25.179 371 HE3 LYS 59 2HE LYS 59 13.606 -1.878 23.761 372 HZ1 LYS 59 3HZ LYS 59 13.520 0.115 25.071 373 HZ2 LYS 59 1HZ LYS 59 15.014 -0.565 25.198 374 HZ3 LYS 59 2HZ LYS 59 13.928 -0.652 26.449 375 H THR 60 H THR 60 7.123 -4.420 24.497 376 HA THR 60 HA THR 60 5.246 -3.415 26.495 377 HB THR 60 HB THR 60 4.461 -6.003 25.520 378 HG1 THR 60 HG1 THR 60 4.883 -5.579 23.237 379 HG21 THR 60 1HG2 THR 60 3.708 -3.100 24.563 380 HG22 THR 60 2HG2 THR 60 2.956 -3.999 25.800 381 HG23 THR 60 3HG2 THR 60 2.781 -4.554 24.158 382 HXT THR 60 H02 THR 60 7.267 -6.027 26.181 Start of MODEL 2 1 H1 GLY 1 2H0 GLY 1 3.518 2.987 -1.284 2 H2 GLY 1 1H0 GLY 1 3.312 1.736 -0.249 3 HA2 GLY 1 1HA GLY 1 2.185 1.033 -2.167 4 HA3 GLY 1 2HA GLY 1 3.482 1.690 -3.201 5 H ILE 2 H ILE 2 5.406 0.630 -1.294 6 HA ILE 2 HA ILE 2 6.253 -1.678 -2.642 7 HB ILE 2 HB ILE 2 7.889 -0.514 -1.310 8 HG12 ILE 2 1HG1 ILE 2 7.299 -3.176 0.001 9 HG13 ILE 2 2HG1 ILE 2 8.256 -2.915 -1.439 10 HG21 ILE 2 1HG2 ILE 2 6.259 0.454 0.387 11 HG22 ILE 2 2HG2 ILE 2 6.334 -1.105 1.253 12 HG23 ILE 2 3HG2 ILE 2 7.778 -0.108 1.078 13 HD11 ILE 2 3HD1 ILE 2 8.941 -2.243 1.435 14 HD12 ILE 2 1HD1 ILE 2 9.822 -3.284 0.308 15 HD13 ILE 2 2HD1 ILE 2 9.821 -1.518 0.084 16 H VAL 3 H VAL 3 4.276 -1.483 0.348 17 HA VAL 3 HA VAL 3 4.342 -4.250 0.876 18 HB VAL 3 HB VAL 3 2.166 -2.236 1.600 19 HG11 VAL 3 1HG1 VAL 3 1.424 -4.592 1.937 20 HG12 VAL 3 2HG1 VAL 3 2.877 -4.904 2.911 21 HG13 VAL 3 3HG1 VAL 3 1.645 -3.770 3.490 22 HG21 VAL 3 3HG2 VAL 3 4.728 -3.003 3.052 23 HG22 VAL 3 1HG2 VAL 3 4.303 -1.404 2.409 24 HG23 VAL 3 2HG2 VAL 3 3.408 -2.061 3.790 25 H GLU 4 H GLU 4 1.774 -2.352 -0.790 26 HA GLU 4 HA GLU 4 0.258 -4.716 -1.345 27 HB2 GLU 4 1HB GLU 4 -1.176 -3.324 -2.644 28 HB3 GLU 4 2HB GLU 4 -0.706 -2.441 -1.185 29 HG2 GLU 4 1HG GLU 4 1.058 -1.304 -2.626 30 HG3 GLU 4 2HG GLU 4 0.193 -1.944 -4.017 31 HE2 GLU 4 HE2 GLU 4 -1.355 -0.946 -4.641 32 H GLN 5 H GLN 5 2.924 -3.122 -3.029 33 HA GLN 5 HA GLN 5 2.397 -4.406 -5.555 34 HB2 GLN 5 1HB GLN 5 3.815 -2.330 -5.097 35 HB3 GLN 5 2HB GLN 5 5.090 -3.437 -4.527 36 HG2 GLN 5 1HG GLN 5 5.501 -2.796 -6.819 37 HG3 GLN 5 2HG GLN 5 5.089 -4.527 -6.768 38 HE21 GLN 5 2HE2 GLN 5 4.070 -4.934 -8.644 39 HE22 GLN 5 1HE2 GLN 5 2.731 -4.019 -9.294 40 H CYS 6 H CYS 6 4.423 -5.242 -2.702 41 HA CYS 6 HA CYS 6 5.465 -7.591 -4.142 42 HB2 CYS 6 1HB CYS 6 6.326 -5.925 -2.007 43 HB3 CYS 6 2HB CYS 6 6.185 -7.562 -1.365 44 H CYS 7 H CYS 7 3.083 -6.966 -1.551 45 HA CYS 7 HA CYS 7 3.095 -9.684 -0.599 46 HB2 CYS 7 1HB CYS 7 1.146 -7.383 -0.284 47 HB3 CYS 7 2HB CYS 7 0.903 -8.964 0.455 48 H THR 8 H THR 8 1.988 -8.612 -3.571 49 HA THR 8 HA THR 8 -0.257 -10.586 -3.607 50 HB THR 8 HB THR 8 -0.827 -9.400 -5.763 51 HG1 THR 8 HG1 THR 8 0.540 -7.152 -5.232 52 HG21 THR 8 1HG2 THR 8 -0.609 -7.591 -3.311 53 HG22 THR 8 2HG2 THR 8 -1.901 -8.768 -3.601 54 HG23 THR 8 3HG2 THR 8 -1.709 -7.368 -4.683 55 H SER 9 H SER 9 3.049 -10.413 -4.429 56 HA SER 9 HA SER 9 2.682 -12.603 -6.377 57 HB2 SER 9 1HB SER 9 3.951 -11.503 -8.107 58 HB3 SER 9 2HB SER 9 2.604 -10.450 -7.672 59 HG SER 9 HG SER 9 5.361 -10.148 -7.157 60 H ILE 10 H ILE 10 5.138 -12.836 -7.405 61 HA ILE 10 HA ILE 10 6.879 -13.608 -5.144 62 HB ILE 10 HB ILE 10 7.054 -13.773 -8.198 63 HG12 ILE 10 1HG1 ILE 10 5.635 -15.451 -6.941 64 HG13 ILE 10 2HG1 ILE 10 6.908 -16.133 -7.951 65 HG21 ILE 10 1HG2 ILE 10 9.218 -14.437 -6.155 66 HG22 ILE 10 2HG2 ILE 10 9.198 -15.065 -7.837 67 HG23 ILE 10 3HG2 ILE 10 9.305 -13.317 -7.537 68 HD11 ILE 10 3HD1 ILE 10 6.680 -17.316 -5.738 69 HD12 ILE 10 1HD1 ILE 10 8.308 -16.653 -5.990 70 HD13 ILE 10 2HD1 ILE 10 7.170 -15.817 -4.902 71 H CYS 11 H CYS 11 8.655 -12.366 -4.525 72 HA CYS 11 HA CYS 11 8.954 -9.728 -5.886 73 HB2 CYS 11 1HB CYS 11 9.874 -10.674 -3.146 74 HB3 CYS 11 2HB CYS 11 10.082 -9.046 -3.797 75 H SER 12 H SER 12 11.083 -9.010 -6.402 76 HA SER 12 HA SER 12 13.157 -11.164 -6.554 77 HB2 SER 12 1HB SER 12 13.627 -9.480 -8.701 78 HB3 SER 12 2HB SER 12 12.797 -11.070 -8.788 79 HG SER 12 HG SER 12 10.885 -10.102 -8.846 80 H LEU 13 H LEU 13 15.304 -10.474 -6.469 81 HA LEU 13 HA LEU 13 15.926 -8.413 -4.665 82 HB2 LEU 13 1HB LEU 13 17.370 -10.349 -5.169 83 HB3 LEU 13 2HB LEU 13 17.637 -9.705 -6.789 84 HG LEU 13 HG LEU 13 18.824 -7.753 -5.832 85 HD11 LEU 13 1HD1 LEU 13 17.770 -7.610 -3.652 86 HD12 LEU 13 2HD1 LEU 13 19.514 -7.832 -3.454 87 HD13 LEU 13 3HD1 LEU 13 18.414 -9.207 -3.191 88 HD21 LEU 13 3HD2 LEU 13 20.846 -8.952 -5.179 89 HD22 LEU 13 1HD2 LEU 13 20.059 -9.789 -6.532 90 HD23 LEU 13 2HD2 LEU 13 19.908 -10.427 -4.872 91 H TYR 14 H TYR 14 15.841 -8.367 -8.203 92 HA TYR 14 HA TYR 14 17.245 -5.999 -8.697 93 HB2 TYR 14 1HB TYR 14 16.208 -7.773 -10.279 94 HB3 TYR 14 2HB TYR 14 14.763 -6.765 -10.226 95 HD1 TYR 14 HD1 TYR 14 14.878 -4.366 -11.141 96 HD2 TYR 14 HD2 TYR 14 18.111 -7.169 -11.593 97 HE1 TYR 14 HE1 TYR 14 15.827 -2.980 -12.955 98 HE2 TYR 14 HE2 TYR 14 19.071 -5.770 -13.402 99 HH TYR 14 HH TYR 14 17.511 -2.745 -14.489 100 H GLN 15 H GLN 15 13.822 -6.436 -7.765 101 HA GLN 15 HA GLN 15 13.381 -3.527 -7.882 102 HB2 GLN 15 1HB GLN 15 11.654 -5.313 -8.523 103 HB3 GLN 15 2HB GLN 15 11.497 -5.630 -6.793 104 HG2 GLN 15 1HG GLN 15 10.946 -3.190 -6.458 105 HG3 GLN 15 2HG GLN 15 10.917 -3.029 -8.222 106 HE21 GLN 15 2HE2 GLN 15 9.088 -3.602 -9.327 107 HE22 GLN 15 1HE2 GLN 15 7.688 -4.299 -8.554 108 H LEU 16 H LEU 16 13.847 -6.140 -5.482 109 HA LEU 16 HA LEU 16 13.014 -4.766 -3.179 110 HB2 LEU 16 1HB LEU 16 13.643 -7.202 -3.378 111 HB3 LEU 16 2HB LEU 16 15.348 -6.707 -3.389 112 HG LEU 16 HG LEU 16 14.931 -5.628 -1.110 113 HD11 LEU 16 1HD1 LEU 16 12.382 -7.292 -1.274 114 HD12 LEU 16 2HD1 LEU 16 12.472 -5.514 -1.139 115 HD13 LEU 16 3HD1 LEU 16 13.034 -6.531 0.210 116 HD21 LEU 16 3HD2 LEU 16 15.142 -7.727 0.107 117 HD22 LEU 16 1HD2 LEU 16 16.116 -7.760 -1.379 118 HD23 LEU 16 2HD2 LEU 16 14.553 -8.634 -1.309 119 H GLU 17 H GLU 17 16.156 -4.682 -4.878 120 HA GLU 17 HA GLU 17 17.599 -3.213 -2.934 121 HB2 GLU 17 1HB GLU 17 17.820 -3.680 -5.893 122 HB3 GLU 17 2HB GLU 17 18.794 -2.391 -5.160 123 HG2 GLU 17 1HG GLU 17 18.801 -5.285 -4.297 124 HG3 GLU 17 2HG GLU 17 20.017 -4.500 -5.300 125 HE2 GLU 17 HE2 GLU 17 20.475 -4.409 -1.535 126 H ASN 18 H ASN 18 15.112 -2.086 -5.193 127 HA ASN 18 HA ASN 18 15.976 0.657 -5.221 128 HB2 ASN 18 1HB ASN 18 14.183 -0.673 -6.658 129 HB3 ASN 18 2HB ASN 18 13.075 -0.154 -5.383 130 HD21 ASN 18 2HD2 ASN 18 13.912 0.522 -8.380 131 HD22 ASN 18 1HD2 ASN 18 13.782 2.277 -8.393 132 H TYR 19 H TYR 19 14.228 -1.362 -2.925 133 HA TYR 19 HA TYR 19 13.286 0.978 -1.402 134 HB2 TYR 19 1HB TYR 19 13.215 -1.939 -0.640 135 HB3 TYR 19 2HB TYR 19 12.224 -0.638 0.014 136 HD1 TYR 19 HD1 TYR 19 11.007 0.726 -2.199 137 HD2 TYR 19 HD2 TYR 19 12.028 -3.443 -1.944 138 HE1 TYR 19 HE1 TYR 19 9.273 0.199 -3.908 139 HE2 TYR 19 HE2 TYR 19 10.304 -3.957 -3.673 140 HH TYR 19 HH TYR 19 8.695 -3.128 -5.075 141 H CYS 20 H CYS 20 16.263 -0.352 -1.791 142 HA CYS 20 HA CYS 20 17.009 -0.098 1.100 143 HB2 CYS 20 1HB CYS 20 17.558 -2.221 -0.194 144 HB3 CYS 20 2HB CYS 20 18.647 -1.231 -1.190 145 H ASN 21 H ASN 21 16.561 1.927 -1.367 146 HA ASN 21 HA ASN 21 18.743 3.663 -0.482 147 HB2 ASN 21 1HB ASN 21 19.570 4.161 -2.685 148 HB3 ASN 21 2HB ASN 21 19.623 2.416 -2.544 149 HD21 ASN 21 2HD2 ASN 21 18.586 1.231 -4.029 150 HD22 ASN 21 1HD2 ASN 21 17.571 1.892 -5.274 151 HXT ASN 21 H02 ASN 21 18.484 5.578 -1.671 152 H1 PHE 31 2H0 PHE 31 20.708 -15.735 -3.272 153 H2 PHE 31 1H0 PHE 31 20.910 -14.527 -4.339 154 HA PHE 31 HA PHE 31 18.684 -14.638 -2.386 155 HB2 PHE 31 1HB PHE 31 19.575 -12.382 -3.171 156 HB3 PHE 31 2HB PHE 31 19.062 -12.828 -4.785 157 HD1 PHE 31 HD1 PHE 31 16.597 -13.167 -5.265 158 HD2 PHE 31 HD2 PHE 31 18.028 -11.639 -1.483 159 HE1 PHE 31 HE1 PHE 31 14.335 -12.309 -4.751 160 HE2 PHE 31 HE2 PHE 31 15.765 -10.782 -0.979 161 HZ PHE 31 HZ PHE 31 13.911 -11.122 -2.614 162 H VAL 32 H VAL 32 16.808 -15.442 -2.929 163 HA VAL 32 HA VAL 32 16.579 -16.648 -5.650 164 HB VAL 32 HB VAL 32 15.177 -18.464 -4.622 165 HG11 VAL 32 1HG1 VAL 32 17.577 -18.835 -5.098 166 HG12 VAL 32 2HG1 VAL 32 18.002 -18.293 -3.453 167 HG13 VAL 32 3HG1 VAL 32 17.039 -19.775 -3.696 168 HG21 VAL 32 3HG2 VAL 32 14.505 -17.306 -2.537 169 HG22 VAL 32 1HG2 VAL 32 15.266 -18.865 -2.188 170 HG23 VAL 32 2HG2 VAL 32 16.182 -17.366 -1.940 171 H ASN 33 H ASN 33 14.515 -16.525 -6.584 172 HA ASN 33 HA ASN 33 13.001 -14.194 -5.813 173 HB2 ASN 33 1HB ASN 33 12.482 -16.425 -7.819 174 HB3 ASN 33 2HB ASN 33 11.435 -15.015 -7.631 175 HD21 ASN 33 2HD2 ASN 33 13.655 -16.212 -9.592 176 HD22 ASN 33 1HD2 ASN 33 14.446 -14.731 -10.104 177 H GLN 34 H GLN 34 11.422 -14.066 -4.312 178 HA GLN 34 HA GLN 34 10.126 -16.577 -3.373 179 HB2 GLN 34 1HB GLN 34 12.405 -15.974 -2.245 180 HB3 GLN 34 2HB GLN 34 11.537 -14.597 -1.533 181 HG2 GLN 34 1HG GLN 34 11.620 -16.326 0.086 182 HG3 GLN 34 2HG GLN 34 9.960 -16.265 -0.488 183 HE21 GLN 34 2HE2 GLN 34 12.895 -18.173 -0.379 184 HE22 GLN 34 1HE2 GLN 34 12.182 -19.616 -1.042 185 H HIS 35 H HIS 35 8.223 -16.174 -2.062 186 HA HIS 35 HA HIS 35 6.876 -13.604 -2.604 187 HB2 HIS 35 1HB HIS 35 6.175 -15.987 -0.827 188 HB3 HIS 35 2HB HIS 35 5.198 -14.515 -0.938 189 HD1 HIS 35 HD1 HIS 35 4.585 -13.898 -3.686 190 HD2 HIS 35 HD2 HIS 35 5.195 -17.894 -2.527 191 HE1 HIS 35 HE1 HIS 35 3.483 -15.371 -5.449 192 HE2 HIS 35 HE2 HIS 35 3.855 -17.776 -4.737 193 H LEU 36 H LEU 36 7.317 -11.808 -1.428 194 HA LEU 36 HA LEU 36 8.218 -12.198 1.405 195 HB2 LEU 36 1HB LEU 36 9.064 -10.091 -0.614 196 HB3 LEU 36 2HB LEU 36 9.486 -10.078 1.087 197 HG LEU 36 HG LEU 36 10.368 -12.180 -0.928 198 HD11 LEU 36 1HD1 LEU 36 11.385 -9.994 -1.341 199 HD12 LEU 36 2HD1 LEU 36 12.588 -11.130 -0.704 200 HD13 LEU 36 3HD1 LEU 36 11.893 -9.874 0.358 201 HD21 LEU 36 3HD2 LEU 36 11.138 -11.748 2.001 202 HD22 LEU 36 1HD2 LEU 36 11.958 -12.846 0.876 203 HD23 LEU 36 2HD2 LEU 36 10.266 -13.145 1.305 204 H CYS 37 H CYS 37 6.801 -11.428 2.797 205 HA CYS 37 HA CYS 37 5.426 -8.879 2.312 206 HB2 CYS 37 1HB CYS 37 3.972 -10.610 1.198 207 HB3 CYS 37 2HB CYS 37 3.849 -11.435 2.755 208 H GLY 38 H GLY 38 4.408 -8.118 4.294 209 HA2 GLY 38 1HA GLY 38 4.260 -7.885 6.593 210 HA3 GLY 38 2HA GLY 38 4.431 -9.647 6.697 211 H SER 39 H SER 39 5.761 -9.676 8.465 212 HA SER 39 HA SER 39 8.078 -8.095 8.828 213 HB2 SER 39 1HB SER 39 8.761 -10.026 10.353 214 HB3 SER 39 2HB SER 39 7.150 -9.329 10.670 215 HG SER 39 HG SER 39 7.077 -11.596 10.634 216 H HIS 40 H HIS 40 7.578 -11.008 6.870 217 HA HIS 40 HA HIS 40 10.352 -11.675 6.631 218 HB2 HIS 40 1HB HIS 40 8.087 -12.178 4.672 219 HB3 HIS 40 2HB HIS 40 9.647 -12.998 4.681 220 HD1 HIS 40 HD1 HIS 40 6.612 -14.223 5.149 221 HD2 HIS 40 HD2 HIS 40 9.644 -13.643 8.003 222 HE1 HIS 40 HE1 HIS 40 6.159 -15.843 7.070 223 HE2 HIS 40 HE2 HIS 40 7.995 -15.448 8.788 224 H LEU 41 H LEU 41 8.306 -9.343 4.894 225 HA LEU 41 HA LEU 41 10.169 -8.921 2.726 226 HB2 LEU 41 1HB LEU 41 7.777 -8.311 2.609 227 HB3 LEU 41 2HB LEU 41 7.978 -7.139 3.888 228 HG LEU 41 HG LEU 41 9.348 -5.736 2.438 229 HD11 LEU 41 1HD1 LEU 41 10.349 -7.487 0.959 230 HD12 LEU 41 2HD1 LEU 41 9.568 -6.185 0.035 231 HD13 LEU 41 3HD1 LEU 41 8.740 -7.743 0.232 232 HD21 LEU 41 3HD2 LEU 41 6.922 -5.419 2.524 233 HD22 LEU 41 1HD2 LEU 41 6.697 -6.641 1.257 234 HD23 LEU 41 2HD2 LEU 41 7.492 -5.117 0.882 235 H VAL 42 H VAL 42 9.468 -7.214 5.809 236 HA VAL 42 HA VAL 42 11.460 -5.198 5.433 237 HB VAL 42 HB VAL 42 10.391 -6.309 8.067 238 HG11 VAL 42 1HG1 VAL 42 10.858 -4.030 8.929 239 HG12 VAL 42 2HG1 VAL 42 12.330 -4.872 8.407 240 HG13 VAL 42 3HG1 VAL 42 11.613 -3.618 7.365 241 HG21 VAL 42 3HG2 VAL 42 8.483 -5.643 6.667 242 HG22 VAL 42 1HG2 VAL 42 8.741 -4.405 7.902 243 HG23 VAL 42 2HG2 VAL 42 9.292 -4.117 6.238 244 H GLU 43 H GLU 43 11.509 -8.415 6.963 245 HA GLU 43 HA GLU 43 14.133 -8.165 8.064 246 HB2 GLU 43 1HB GLU 43 12.374 -9.802 8.734 247 HB3 GLU 43 2HB GLU 43 12.691 -10.710 7.244 248 HG2 GLU 43 1HG GLU 43 14.984 -11.155 7.982 249 HG3 GLU 43 2HG GLU 43 14.745 -10.142 9.411 250 HE2 GLU 43 HE2 GLU 43 14.041 -13.800 9.804 251 H ALA 44 H ALA 44 12.940 -9.455 4.914 252 HA ALA 44 HA ALA 44 15.557 -10.347 4.057 253 HB1 ALA 44 3HB ALA 44 13.172 -9.430 2.397 254 HB2 ALA 44 1HB ALA 44 14.587 -10.340 1.804 255 HB3 ALA 44 2HB ALA 44 13.466 -11.083 2.964 256 H LEU 45 H LEU 45 13.762 -7.273 3.789 257 HA LEU 45 HA LEU 45 15.713 -5.951 2.193 258 HB2 LEU 45 1HB LEU 45 13.297 -5.274 2.758 259 HB3 LEU 45 2HB LEU 45 13.963 -4.651 4.254 260 HG LEU 45 HG LEU 45 15.441 -3.147 2.967 261 HD11 LEU 45 1HD1 LEU 45 15.592 -4.299 0.827 262 HD12 LEU 45 2HD1 LEU 45 14.973 -2.653 0.618 263 HD13 LEU 45 3HD1 LEU 45 13.858 -4.042 0.566 264 HD21 LEU 45 3HD2 LEU 45 12.484 -2.876 2.406 265 HD22 LEU 45 1HD2 LEU 45 13.663 -1.558 2.347 266 HD23 LEU 45 2HD2 LEU 45 13.304 -2.370 3.901 267 H TYR 46 H TYR 46 15.316 -6.242 5.722 268 HA TYR 46 HA TYR 46 17.474 -4.540 6.507 269 HB2 TYR 46 1HB TYR 46 15.898 -5.297 8.136 270 HB3 TYR 46 2HB TYR 46 16.175 -6.983 7.762 271 HD1 TYR 46 HD2 TYR 46 17.653 -4.002 9.423 272 HD2 TYR 46 HD1 TYR 46 17.983 -8.226 8.730 273 HE1 TYR 46 HE2 TYR 46 19.366 -4.190 11.261 274 HE2 TYR 46 HE1 TYR 46 19.702 -8.389 10.538 275 HH TYR 46 HH TYR 46 20.950 -7.244 12.121 276 H LEU 47 H LEU 47 17.366 -8.051 5.750 277 HA LEU 47 HA LEU 47 20.130 -8.489 6.426 278 HB2 LEU 47 1HB LEU 47 18.136 -10.050 4.743 279 HB3 LEU 47 2HB LEU 47 19.778 -10.611 5.077 280 HG LEU 47 HG LEU 47 17.766 -9.972 7.263 281 HD11 LEU 47 1HD1 LEU 47 17.384 -12.405 7.397 282 HD12 LEU 47 2HD1 LEU 47 18.426 -12.656 5.984 283 HD13 LEU 47 3HD1 LEU 47 16.891 -11.763 5.818 284 HD21 LEU 47 3HD2 LEU 47 19.254 -11.389 8.651 285 HD22 LEU 47 1HD2 LEU 47 20.098 -9.963 8.035 286 HD23 LEU 47 2HD2 LEU 47 20.362 -11.553 7.283 287 H VAL 48 H VAL 48 18.494 -7.595 3.368 288 HA VAL 48 HA VAL 48 20.959 -8.060 1.883 289 HB VAL 48 HB VAL 48 18.607 -8.273 0.922 290 HG11 VAL 48 1HG1 VAL 48 17.733 -6.118 1.651 291 HG12 VAL 48 2HG1 VAL 48 18.895 -5.275 0.617 292 HG13 VAL 48 3HG1 VAL 48 17.635 -6.291 -0.112 293 HG21 VAL 48 3HG2 VAL 48 20.589 -8.452 -0.425 294 HG22 VAL 48 1HG2 VAL 48 19.357 -7.515 -1.274 295 HG23 VAL 48 2HG2 VAL 48 20.712 -6.669 -0.525 296 H CYS 49 H CYS 49 19.465 -5.264 3.476 297 HA CYS 49 HA CYS 49 21.397 -3.404 2.281 298 HB2 CYS 49 1HB CYS 49 19.594 -3.136 4.714 299 HB3 CYS 49 2HB CYS 49 20.543 -1.827 3.992 300 H GLY 50 H GLY 50 21.056 -5.092 5.447 301 HA2 GLY 50 1HA GLY 50 22.717 -5.751 6.887 302 HA3 GLY 50 2HA GLY 50 23.927 -5.277 5.689 303 H GLU 51 H GLU 51 22.371 -2.489 6.023 304 HA GLU 51 HA GLU 51 24.522 -1.401 7.596 305 HB2 GLU 51 1HB GLU 51 22.067 -0.169 6.333 306 HB3 GLU 51 2HB GLU 51 23.373 0.746 7.084 307 HG2 GLU 51 1HG GLU 51 24.988 -0.016 5.466 308 HG3 GLU 51 2HG GLU 51 23.826 -1.155 4.778 309 HE2 GLU 51 HE2 GLU 51 25.221 1.446 4.230 310 H GLN 52 H GLN 52 21.774 -2.805 8.711 311 HA GLN 52 HA GLN 52 20.577 -2.737 10.625 312 HB2 GLN 52 1HB GLN 52 23.109 -1.642 11.794 313 HB3 GLN 52 2HB GLN 52 21.830 -2.463 12.677 314 HG2 GLN 52 1HG GLN 52 22.245 -4.479 11.226 315 HG3 GLN 52 2HG GLN 52 23.721 -3.678 10.646 316 HE21 GLN 52 2HE2 GLN 52 25.269 -2.953 12.360 317 HE22 GLN 52 1HE2 GLN 52 25.459 -3.982 13.741 318 H GLY 53 H GLY 53 20.136 -0.226 9.139 319 HA2 GLY 53 1HA GLY 53 19.697 1.661 11.390 320 HA3 GLY 53 2HA GLY 53 19.740 2.069 9.689 321 H PHE 54 H PHE 54 17.857 -0.681 10.868 322 HA PHE 54 HA PHE 54 15.563 0.504 9.503 323 HB2 PHE 54 1HB PHE 54 16.277 -2.167 10.636 324 HB3 PHE 54 2HB PHE 54 14.577 -1.779 10.363 325 HD1 PHE 54 HD1 PHE 54 17.828 -1.334 8.462 326 HD2 PHE 54 HD2 PHE 54 13.668 -2.483 8.388 327 HE1 PHE 54 HE1 PHE 54 18.014 -1.841 6.060 328 HE2 PHE 54 HE2 PHE 54 13.870 -3.013 5.974 329 HZ PHE 54 HZ PHE 54 16.037 -2.677 4.808 330 H PHE 55 H PHE 55 16.408 0.223 12.859 331 HA PHE 55 HA PHE 55 13.717 1.355 13.486 332 HB2 PHE 55 1HB PHE 55 14.725 -1.264 14.312 333 HB3 PHE 55 2HB PHE 55 14.406 -0.227 15.699 334 HD1 PHE 55 HD2 PHE 55 12.113 0.833 15.949 335 HD2 PHE 55 HD1 PHE 55 12.956 -2.291 13.100 336 HE1 PHE 55 HE2 PHE 55 9.661 0.363 15.761 337 HE2 PHE 55 HE1 PHE 55 10.508 -2.780 12.937 338 HZ PHE 55 HZ PHE 55 8.864 -1.446 14.264 339 H TYR 56 H TYR 56 14.168 3.293 14.249 340 HA TYR 56 HA TYR 56 16.132 3.540 16.447 341 HB2 TYR 56 1HB TYR 56 17.410 4.081 14.392 342 HB3 TYR 56 2HB TYR 56 16.182 5.284 13.951 343 HD1 TYR 56 HD1 TYR 56 18.843 4.447 16.452 344 HD2 TYR 56 HD2 TYR 56 16.134 7.478 14.975 345 HE1 TYR 56 HE1 TYR 56 19.975 6.162 17.827 346 HE2 TYR 56 HE2 TYR 56 17.297 9.180 16.375 347 HH TYR 56 HH TYR 56 20.125 8.340 18.396 348 H THR 57 H THR 57 15.585 5.139 17.898 349 HA THR 57 HA THR 57 13.467 7.081 17.199 350 HB THR 57 HB THR 57 12.496 6.567 19.621 351 HG1 THR 57 HG1 THR 57 13.475 3.984 18.889 352 HG21 THR 57 1HG2 THR 57 11.906 4.536 17.401 353 HG22 THR 57 2HG2 THR 57 11.229 6.196 17.500 354 HG23 THR 57 3HG2 THR 57 10.871 5.022 18.759 355 HA PRO 58 HA PRO 58 16.477 9.216 19.673 356 HB2 PRO 58 1HB PRO 58 15.092 11.295 20.806 357 HB3 PRO 58 2HB PRO 58 15.500 11.243 19.061 358 HG2 PRO 58 1HG PRO 58 12.944 10.480 20.425 359 HG3 PRO 58 2HG PRO 58 13.178 11.534 19.004 360 HD2 PRO 58 1HD PRO 58 12.475 8.921 18.775 361 HD3 PRO 58 2HD PRO 58 13.559 9.712 17.580 362 H LYS 59 H LYS 59 17.221 8.972 21.807 363 HA LYS 59 HA LYS 59 15.234 7.974 23.799 364 HB2 LYS 59 1HB LYS 59 18.061 6.972 23.393 365 HB3 LYS 59 2HB LYS 59 16.903 6.411 24.610 366 HG2 LYS 59 1HG LYS 59 15.387 5.738 22.690 367 HG3 LYS 59 2HG LYS 59 16.715 6.114 21.597 368 HD2 LYS 59 1HD LYS 59 16.854 3.803 21.897 369 HD3 LYS 59 2HD LYS 59 18.108 4.467 22.947 370 HE2 LYS 59 1HE LYS 59 16.577 4.286 24.889 371 HE3 LYS 59 2HE LYS 59 15.325 3.619 23.825 372 HZ1 LYS 59 3HZ LYS 59 16.772 1.743 23.372 373 HZ2 LYS 59 1HZ LYS 59 16.531 1.885 25.005 374 HZ3 LYS 59 2HZ LYS 59 17.970 2.364 24.323 375 H THR 60 H THR 60 15.199 10.271 24.432 376 HA THR 60 HA THR 60 17.608 11.168 25.917 377 HB THR 60 HB THR 60 16.572 12.863 24.463 378 HG1 THR 60 HG1 THR 60 16.270 14.448 26.185 379 HG21 THR 60 1HG2 THR 60 14.131 12.642 26.330 380 HG22 THR 60 2HG2 THR 60 14.150 12.131 24.635 381 HG23 THR 60 3HG2 THR 60 14.342 13.837 25.049 382 HXT THR 60 H02 THR 60 14.776 10.139 28.286 Start of MODEL 3 1 H1 GLY 1 2H0 GLY 1 4.935 1.705 -3.440 2 H2 GLY 1 1H0 GLY 1 3.551 2.211 -2.743 3 HA2 GLY 1 1HA GLY 1 2.533 0.076 -2.804 4 HA3 GLY 1 2HA GLY 1 3.274 0.346 -4.403 5 H ILE 2 H ILE 2 5.548 0.054 -2.127 6 HA ILE 2 HA ILE 2 6.816 -2.255 -3.095 7 HB ILE 2 HB ILE 2 8.235 -0.903 -1.808 8 HG12 ILE 2 1HG1 ILE 2 7.447 -3.022 0.221 9 HG13 ILE 2 2HG1 ILE 2 8.493 -3.299 -1.170 10 HG21 ILE 2 1HG2 ILE 2 6.537 0.543 -0.734 11 HG22 ILE 2 2HG2 ILE 2 6.110 -0.760 0.404 12 HG23 ILE 2 3HG2 ILE 2 7.702 0.012 0.477 13 HD11 ILE 2 3HD1 ILE 2 9.046 -1.645 1.307 14 HD12 ILE 2 1HD1 ILE 2 9.936 -3.047 0.682 15 HD13 ILE 2 2HD1 ILE 2 10.028 -1.489 -0.169 16 H VAL 3 H VAL 3 4.577 -2.031 -0.297 17 HA VAL 3 HA VAL 3 4.951 -4.754 0.460 18 HB VAL 3 HB VAL 3 2.545 -2.956 1.037 19 HG11 VAL 3 1HG1 VAL 3 3.592 -5.452 2.458 20 HG12 VAL 3 2HG1 VAL 3 2.270 -4.415 3.044 21 HG13 VAL 3 3HG1 VAL 3 2.075 -5.325 1.535 22 HG21 VAL 3 3HG2 VAL 3 5.178 -3.332 2.539 23 HG22 VAL 3 1HG2 VAL 3 4.570 -1.837 1.795 24 HG23 VAL 3 2HG2 VAL 3 3.749 -2.510 3.211 25 H GLU 4 H GLU 4 2.321 -3.194 -1.473 26 HA GLU 4 HA GLU 4 0.950 -5.691 -1.804 27 HB2 GLU 4 1HB GLU 4 -0.396 -4.586 -3.488 28 HB3 GLU 4 2HB GLU 4 -0.217 -3.563 -2.064 29 HG2 GLU 4 1HG GLU 4 1.490 -2.225 -3.256 30 HG3 GLU 4 2HG GLU 4 1.243 -3.218 -4.701 31 HE2 GLU 4 HE2 GLU 4 -0.862 -0.145 -4.354 32 H GLN 5 H GLN 5 3.503 -4.038 -3.662 33 HA GLN 5 HA GLN 5 3.443 -5.730 -5.940 34 HB2 GLN 5 1HB GLN 5 4.731 -3.609 -5.750 35 HB3 GLN 5 2HB GLN 5 5.823 -4.382 -4.602 36 HG2 GLN 5 1HG GLN 5 6.859 -4.302 -6.778 37 HG3 GLN 5 2HG GLN 5 6.533 -5.982 -6.349 38 HE21 GLN 5 2HE2 GLN 5 6.415 -6.820 -8.387 39 HE22 GLN 5 1HE2 GLN 5 5.174 -6.372 -9.536 40 H CYS 6 H CYS 6 5.407 -5.999 -2.907 41 HA CYS 6 HA CYS 6 6.540 -8.505 -3.785 42 HB2 CYS 6 1HB CYS 6 6.460 -7.054 -1.139 43 HB3 CYS 6 2HB CYS 6 7.197 -8.645 -1.322 44 H CYS 7 H CYS 7 3.583 -7.738 -1.979 45 HA CYS 7 HA CYS 7 3.327 -10.465 -0.976 46 HB2 CYS 7 1HB CYS 7 1.450 -8.099 -1.151 47 HB3 CYS 7 2HB CYS 7 0.887 -9.698 -0.647 48 H THR 8 H THR 8 1.795 -8.648 -3.702 49 HA THR 8 HA THR 8 0.256 -11.045 -4.410 50 HB THR 8 HB THR 8 -0.615 -9.660 -6.275 51 HG1 THR 8 HG1 THR 8 0.953 -7.517 -5.256 52 HG21 THR 8 1HG2 THR 8 -1.628 -9.429 -4.003 53 HG22 THR 8 2HG2 THR 8 -1.727 -7.933 -4.954 54 HG23 THR 8 3HG2 THR 8 -0.514 -8.081 -3.666 55 H SER 9 H SER 9 3.063 -9.274 -5.684 56 HA SER 9 HA SER 9 3.342 -11.360 -7.813 57 HB2 SER 9 1HB SER 9 4.419 -8.521 -7.683 58 HB3 SER 9 2HB SER 9 4.626 -9.659 -9.027 59 HG SER 9 HG SER 9 2.152 -8.645 -8.036 60 H ILE 10 H ILE 10 5.732 -11.695 -8.389 61 HA ILE 10 HA ILE 10 7.210 -12.109 -5.850 62 HB ILE 10 HB ILE 10 7.908 -12.896 -8.725 63 HG12 ILE 10 1HG1 ILE 10 5.886 -14.078 -7.810 64 HG13 ILE 10 2HG1 ILE 10 7.231 -15.129 -8.229 65 HG21 ILE 10 1HG2 ILE 10 9.208 -13.522 -6.052 66 HG22 ILE 10 2HG2 ILE 10 9.542 -14.435 -7.545 67 HG23 ILE 10 3HG2 ILE 10 9.929 -12.704 -7.457 68 HD11 ILE 10 3HD1 ILE 10 6.646 -14.253 -5.365 69 HD12 ILE 10 1HD1 ILE 10 6.055 -15.762 -6.093 70 HD13 ILE 10 2HD1 ILE 10 7.797 -15.500 -5.900 71 H CYS 11 H CYS 11 8.480 -10.426 -5.178 72 HA CYS 11 HA CYS 11 9.360 -8.479 -7.239 73 HB2 CYS 11 1HB CYS 11 10.011 -7.067 -5.333 74 HB3 CYS 11 2HB CYS 11 8.300 -7.484 -5.339 75 H SER 12 H SER 12 11.293 -8.565 -8.072 76 HA SER 12 HA SER 12 13.177 -10.632 -7.320 77 HB2 SER 12 1HB SER 12 12.948 -9.913 -9.647 78 HB3 SER 12 2HB SER 12 13.367 -8.246 -9.208 79 HG SER 12 HG SER 12 15.069 -9.773 -10.093 80 H LEU 13 H LEU 13 15.379 -10.296 -6.617 81 HA LEU 13 HA LEU 13 15.688 -8.522 -4.434 82 HB2 LEU 13 1HB LEU 13 17.975 -9.166 -4.386 83 HB3 LEU 13 2HB LEU 13 17.005 -10.566 -4.799 84 HG LEU 13 HG LEU 13 17.742 -9.653 -7.295 85 HD11 LEU 13 1HD1 LEU 13 20.163 -9.240 -7.193 86 HD12 LEU 13 2HD1 LEU 13 20.112 -9.282 -5.416 87 HD13 LEU 13 3HD1 LEU 13 19.281 -7.985 -6.302 88 HD21 LEU 13 3HD2 LEU 13 19.224 -11.613 -5.529 89 HD22 LEU 13 1HD2 LEU 13 19.252 -11.558 -7.305 90 HD23 LEU 13 2HD2 LEU 13 17.745 -11.961 -6.456 91 H TYR 14 H TYR 14 16.268 -8.040 -7.878 92 HA TYR 14 HA TYR 14 17.945 -5.728 -7.670 93 HB2 TYR 14 1HB TYR 14 17.501 -7.109 -9.734 94 HB3 TYR 14 2HB TYR 14 15.886 -6.390 -9.813 95 HD1 TYR 14 HD1 TYR 14 19.532 -5.693 -10.117 96 HD2 TYR 14 HD2 TYR 14 15.563 -4.110 -10.621 97 HE1 TYR 14 HE1 TYR 14 20.457 -3.780 -11.419 98 HE2 TYR 14 HE2 TYR 14 16.503 -2.191 -11.920 99 HH TYR 14 HH TYR 14 19.998 -1.858 -12.555 100 H GLN 15 H GLN 15 14.403 -6.157 -7.747 101 HA GLN 15 HA GLN 15 13.845 -3.309 -7.667 102 HB2 GLN 15 1HB GLN 15 12.262 -5.081 -8.510 103 HB3 GLN 15 2HB GLN 15 12.078 -5.649 -6.845 104 HG2 GLN 15 1HG GLN 15 11.137 -3.495 -6.185 105 HG3 GLN 15 2HG GLN 15 11.416 -2.848 -7.806 106 HE21 GLN 15 2HE2 GLN 15 9.444 -2.528 -8.627 107 HE22 GLN 15 1HE2 GLN 15 8.192 -3.741 -8.719 108 H LEU 16 H LEU 16 14.162 -5.976 -5.316 109 HA LEU 16 HA LEU 16 13.294 -4.549 -3.036 110 HB2 LEU 16 1HB LEU 16 14.093 -7.084 -3.564 111 HB3 LEU 16 2HB LEU 16 15.526 -6.501 -2.738 112 HG LEU 16 HG LEU 16 14.058 -7.704 -1.228 113 HD11 LEU 16 1HD1 LEU 16 13.884 -6.142 0.550 114 HD12 LEU 16 2HD1 LEU 16 13.985 -4.774 -0.579 115 HD13 LEU 16 3HD1 LEU 16 15.379 -5.852 -0.357 116 HD21 LEU 16 3HD2 LEU 16 11.845 -7.001 -0.631 117 HD22 LEU 16 1HD2 LEU 16 11.909 -7.224 -2.391 118 HD23 LEU 16 2HD2 LEU 16 11.945 -5.587 -1.697 119 H GLU 17 H GLU 17 16.524 -4.784 -4.541 120 HA GLU 17 HA GLU 17 17.951 -3.267 -2.592 121 HB2 GLU 17 1HB GLU 17 18.307 -3.724 -5.563 122 HB3 GLU 17 2HB GLU 17 19.370 -2.640 -4.670 123 HG2 GLU 17 1HG GLU 17 20.012 -4.486 -3.178 124 HG3 GLU 17 2HG GLU 17 18.973 -5.582 -4.098 125 HE2 GLU 17 HE2 GLU 17 21.432 -3.323 -4.490 126 H ASN 18 H ASN 18 15.657 -2.243 -5.091 127 HA ASN 18 HA ASN 18 16.698 0.457 -5.244 128 HB2 ASN 18 1HB ASN 18 15.219 -0.775 -6.946 129 HB3 ASN 18 2HB ASN 18 13.862 -0.428 -5.860 130 HD21 ASN 18 2HD2 ASN 18 16.677 1.357 -7.172 131 HD22 ASN 18 1HD2 ASN 18 15.743 2.741 -7.680 132 H TYR 19 H TYR 19 14.847 -1.271 -2.887 133 HA TYR 19 HA TYR 19 13.629 1.189 -1.801 134 HB2 TYR 19 1HB TYR 19 13.752 -1.592 -0.615 135 HB3 TYR 19 2HB TYR 19 12.689 -0.272 -0.124 136 HD1 TYR 19 HD1 TYR 19 11.577 0.726 -2.688 137 HD2 TYR 19 HD2 TYR 19 12.410 -3.308 -1.451 138 HE1 TYR 19 HE1 TYR 19 9.835 -0.124 -4.263 139 HE2 TYR 19 HE2 TYR 19 10.651 -4.146 -3.018 140 HH TYR 19 HH TYR 19 9.080 -3.613 -4.555 141 H CYS 20 H CYS 20 16.700 -0.194 -1.746 142 HA CYS 20 HA CYS 20 17.276 0.800 1.020 143 HB2 CYS 20 1HB CYS 20 18.025 -1.504 0.569 144 HB3 CYS 20 2HB CYS 20 18.876 -0.951 -0.878 145 H ASN 21 H ASN 21 17.377 2.927 0.698 146 HA ASN 21 HA ASN 21 18.234 4.969 0.240 147 HB2 ASN 21 1HB ASN 21 20.511 3.839 0.508 148 HB3 ASN 21 2HB ASN 21 20.587 3.753 -1.254 149 HD21 ASN 21 2HD2 ASN 21 21.041 5.661 1.526 150 HD22 ASN 21 1HD2 ASN 21 21.356 7.176 0.707 151 HXT ASN 21 H02 ASN 21 17.931 4.405 -3.585 152 H1 PHE 31 2H0 PHE 31 19.983 -16.166 -2.218 153 H2 PHE 31 1H0 PHE 31 20.106 -15.442 -3.671 154 HA PHE 31 HA PHE 31 18.301 -14.561 -1.504 155 HB2 PHE 31 1HB PHE 31 19.192 -12.735 -2.939 156 HB3 PHE 31 2HB PHE 31 18.669 -13.606 -4.373 157 HD1 PHE 31 HD1 PHE 31 17.517 -11.706 -1.399 158 HD2 PHE 31 HD2 PHE 31 16.337 -13.638 -5.075 159 HE1 PHE 31 HE1 PHE 31 15.276 -10.662 -1.241 160 HE2 PHE 31 HE2 PHE 31 14.106 -12.583 -4.897 161 HZ PHE 31 HZ PHE 31 13.556 -11.142 -2.984 162 H VAL 32 H VAL 32 16.118 -14.909 -1.759 163 HA VAL 32 HA VAL 32 15.424 -17.144 -3.632 164 HB VAL 32 HB VAL 32 14.318 -16.596 -0.842 165 HG11 VAL 32 1HG1 VAL 32 13.076 -18.724 -1.169 166 HG12 VAL 32 2HG1 VAL 32 12.583 -17.481 -2.334 167 HG13 VAL 32 3HG1 VAL 32 13.663 -18.800 -2.848 168 HG21 VAL 32 3HG2 VAL 32 16.552 -17.563 -0.717 169 HG22 VAL 32 1HG2 VAL 32 15.358 -18.801 -0.284 170 HG23 VAL 32 2HG2 VAL 32 16.113 -18.819 -1.895 171 H ASN 33 H ASN 33 14.077 -16.539 -5.144 172 HA ASN 33 HA ASN 33 12.567 -14.042 -5.006 173 HB2 ASN 33 1HB ASN 33 12.665 -16.354 -6.986 174 HB3 ASN 33 2HB ASN 33 11.627 -14.946 -7.195 175 HD21 ASN 33 2HD2 ASN 33 14.367 -16.211 -8.278 176 HD22 ASN 33 1HD2 ASN 33 15.280 -14.758 -8.593 177 H GLN 34 H GLN 34 10.896 -13.974 -3.599 178 HA GLN 34 HA GLN 34 8.805 -16.076 -3.745 179 HB2 GLN 34 1HB GLN 34 8.831 -16.408 -1.328 180 HB3 GLN 34 2HB GLN 34 10.422 -16.798 -1.992 181 HG2 GLN 34 1HG GLN 34 11.208 -14.512 -1.310 182 HG3 GLN 34 2HG GLN 34 9.648 -14.254 -0.527 183 HE21 GLN 34 2HE2 GLN 34 12.782 -15.297 -0.122 184 HE22 GLN 34 1HE2 GLN 34 12.578 -16.137 1.399 185 H HIS 35 H HIS 35 6.914 -15.375 -2.242 186 HA HIS 35 HA HIS 35 6.411 -12.500 -2.652 187 HB2 HIS 35 1HB HIS 35 4.766 -14.684 -1.305 188 HB3 HIS 35 2HB HIS 35 4.255 -12.997 -1.474 189 HD1 HIS 35 HD1 HIS 35 4.544 -12.173 -4.250 190 HD2 HIS 35 HD2 HIS 35 3.585 -16.151 -3.289 191 HE1 HIS 35 HE1 HIS 35 3.494 -13.216 -6.321 192 HE2 HIS 35 HE2 HIS 35 2.891 -15.597 -5.719 193 H LEU 36 H LEU 36 6.422 -10.962 -1.047 194 HA LEU 36 HA LEU 36 7.285 -11.889 1.669 195 HB2 LEU 36 1HB LEU 36 8.402 -9.608 0.023 196 HB3 LEU 36 2HB LEU 36 8.740 -9.860 1.720 197 HG LEU 36 HG LEU 36 9.481 -11.863 -0.421 198 HD11 LEU 36 1HD1 LEU 36 11.760 -10.928 -0.242 199 HD12 LEU 36 2HD1 LEU 36 11.145 -9.649 0.834 200 HD13 LEU 36 3HD1 LEU 36 10.600 -9.734 -0.857 201 HD21 LEU 36 3HD2 LEU 36 10.372 -11.494 2.475 202 HD22 LEU 36 1HD2 LEU 36 11.062 -12.664 1.331 203 HD23 LEU 36 2HD2 LEU 36 9.370 -12.825 1.832 204 H CYS 37 H CYS 37 5.954 -11.227 3.170 205 HA CYS 37 HA CYS 37 4.522 -8.625 2.831 206 HB2 CYS 37 1HB CYS 37 3.420 -11.233 3.945 207 HB3 CYS 37 2HB CYS 37 2.588 -9.673 3.997 208 H GLY 38 H GLY 38 3.278 -8.801 5.437 209 HA2 GLY 38 1HA GLY 38 4.972 -7.425 7.019 210 HA3 GLY 38 2HA GLY 38 3.741 -8.496 7.683 211 H SER 39 H SER 39 6.543 -7.586 8.386 212 HA SER 39 HA SER 39 8.394 -8.299 9.430 213 HB2 SER 39 1HB SER 39 7.077 -11.017 9.668 214 HB3 SER 39 2HB SER 39 8.418 -10.374 10.645 215 HG SER 39 HG SER 39 6.406 -10.116 11.701 216 H HIS 40 H HIS 40 7.438 -10.902 7.116 217 HA HIS 40 HA HIS 40 10.136 -11.814 6.732 218 HB2 HIS 40 1HB HIS 40 7.743 -11.936 4.856 219 HB3 HIS 40 2HB HIS 40 9.241 -12.859 4.659 220 HD1 HIS 40 HD1 HIS 40 6.183 -13.971 5.212 221 HD2 HIS 40 HD2 HIS 40 9.409 -13.844 7.887 222 HE1 HIS 40 HE1 HIS 40 5.733 -15.728 7.003 223 HE2 HIS 40 HE2 HIS 40 7.690 -15.639 8.601 224 H LEU 41 H LEU 41 8.174 -9.354 5.044 225 HA LEU 41 HA LEU 41 10.098 -8.782 2.998 226 HB2 LEU 41 1HB LEU 41 7.732 -8.116 2.909 227 HB3 LEU 41 2HB LEU 41 7.951 -7.073 4.301 228 HG LEU 41 HG LEU 41 9.318 -5.534 3.019 229 HD11 LEU 41 1HD1 LEU 41 8.889 -7.413 0.665 230 HD12 LEU 41 2HD1 LEU 41 10.446 -7.043 1.450 231 HD13 LEU 41 3HD1 LEU 41 9.570 -5.778 0.572 232 HD21 LEU 41 3HD2 LEU 41 7.543 -4.770 1.481 233 HD22 LEU 41 1HD2 LEU 41 6.865 -5.315 3.025 234 HD23 LEU 41 2HD2 LEU 41 6.756 -6.358 1.585 235 H VAL 42 H VAL 42 9.536 -7.403 6.240 236 HA VAL 42 HA VAL 42 11.464 -5.316 6.025 237 HB VAL 42 HB VAL 42 10.507 -6.813 8.513 238 HG11 VAL 42 1HG1 VAL 42 12.549 -5.503 8.961 239 HG12 VAL 42 2HG1 VAL 42 11.774 -4.061 8.273 240 HG13 VAL 42 3HG1 VAL 42 11.138 -4.788 9.763 241 HG21 VAL 42 3HG2 VAL 42 8.902 -4.911 8.756 242 HG22 VAL 42 1HG2 VAL 42 9.428 -4.296 7.174 243 HG23 VAL 42 2HG2 VAL 42 8.601 -5.865 7.294 244 H GLU 43 H GLU 43 11.675 -8.679 7.233 245 HA GLU 43 HA GLU 43 14.391 -8.450 8.091 246 HB2 GLU 43 1HB GLU 43 12.791 -10.233 8.799 247 HB3 GLU 43 2HB GLU 43 12.911 -10.949 7.187 248 HG2 GLU 43 1HG GLU 43 14.365 -12.158 8.707 249 HG3 GLU 43 2HG GLU 43 15.362 -11.273 7.546 250 HE2 GLU 43 HE2 GLU 43 17.108 -9.968 10.065 251 H ALA 44 H ALA 44 12.932 -9.592 4.999 252 HA ALA 44 HA ALA 44 15.436 -10.339 3.843 253 HB1 ALA 44 3HB ALA 44 13.283 -11.044 2.895 254 HB2 ALA 44 1HB ALA 44 12.884 -9.352 2.507 255 HB3 ALA 44 2HB ALA 44 14.242 -10.161 1.687 256 H LEU 45 H LEU 45 13.584 -7.260 3.841 257 HA LEU 45 HA LEU 45 15.417 -5.862 2.167 258 HB2 LEU 45 1HB LEU 45 13.001 -5.350 3.023 259 HB3 LEU 45 2HB LEU 45 13.816 -4.524 4.329 260 HG LEU 45 HG LEU 45 14.729 -3.846 1.575 261 HD11 LEU 45 1HD1 LEU 45 12.736 -2.375 1.250 262 HD12 LEU 45 2HD1 LEU 45 11.972 -3.160 2.645 263 HD13 LEU 45 3HD1 LEU 45 12.373 -4.110 1.185 264 HD21 LEU 45 3HD2 LEU 45 13.952 -2.053 3.890 265 HD22 LEU 45 1HD2 LEU 45 14.802 -1.584 2.402 266 HD23 LEU 45 2HD2 LEU 45 15.596 -2.653 3.579 267 H TYR 46 H TYR 46 15.351 -6.398 5.676 268 HA TYR 46 HA TYR 46 17.455 -4.580 6.353 269 HB2 TYR 46 1HB TYR 46 16.079 -5.537 8.096 270 HB3 TYR 46 2HB TYR 46 16.476 -7.174 7.588 271 HD1 TYR 46 HD2 TYR 46 17.881 -4.136 9.201 272 HD2 TYR 46 HD1 TYR 46 18.452 -8.309 8.350 273 HE1 TYR 46 HE2 TYR 46 19.819 -4.182 10.758 274 HE2 TYR 46 HE1 TYR 46 20.392 -8.355 9.924 275 HH TYR 46 HH TYR 46 21.513 -5.430 11.640 276 H LEU 47 H LEU 47 17.452 -8.045 5.405 277 HA LEU 47 HA LEU 47 20.302 -8.346 5.651 278 HB2 LEU 47 1HB LEU 47 18.241 -9.852 4.011 279 HB3 LEU 47 2HB LEU 47 19.909 -10.375 4.213 280 HG LEU 47 HG LEU 47 18.036 -9.986 6.566 281 HD11 LEU 47 1HD1 LEU 47 18.558 -12.517 4.963 282 HD12 LEU 47 2HD1 LEU 47 17.030 -11.601 5.009 283 HD13 LEU 47 3HD1 LEU 47 17.624 -12.412 6.475 284 HD21 LEU 47 3HD2 LEU 47 20.600 -11.586 6.220 285 HD22 LEU 47 1HD2 LEU 47 19.598 -11.528 7.689 286 HD23 LEU 47 2HD2 LEU 47 20.423 -10.064 7.124 287 H VAL 48 H VAL 48 18.204 -7.395 2.945 288 HA VAL 48 HA VAL 48 20.274 -7.483 0.925 289 HB VAL 48 HB VAL 48 17.557 -6.077 1.084 290 HG11 VAL 48 1HG1 VAL 48 19.469 -6.239 -1.271 291 HG12 VAL 48 2HG1 VAL 48 17.745 -5.808 -1.401 292 HG13 VAL 48 3HG1 VAL 48 18.850 -4.771 -0.477 293 HG21 VAL 48 3HG2 VAL 48 16.781 -7.844 -0.351 294 HG22 VAL 48 1HG2 VAL 48 18.436 -8.452 -0.603 295 HG23 VAL 48 2HG2 VAL 48 17.661 -8.604 0.982 296 H CYS 49 H CYS 49 18.949 -4.900 3.008 297 HA CYS 49 HA CYS 49 20.614 -2.888 1.708 298 HB2 CYS 49 1HB CYS 49 18.294 -2.612 2.783 299 HB3 CYS 49 2HB CYS 49 19.134 -2.587 4.334 300 H GLY 50 H GLY 50 20.695 -4.645 4.822 301 HA2 GLY 50 1HA GLY 50 22.459 -5.153 6.150 302 HA3 GLY 50 2HA GLY 50 23.528 -4.566 4.885 303 H GLU 51 H GLU 51 23.787 -2.164 4.776 304 HA GLU 51 HA GLU 51 25.046 -1.548 7.275 305 HB2 GLU 51 1HB GLU 51 24.715 0.074 4.728 306 HB3 GLU 51 2HB GLU 51 25.728 0.558 6.088 307 HG2 GLU 51 1HG GLU 51 27.201 -0.434 4.512 308 HG3 GLU 51 2HG GLU 51 27.004 -1.624 5.809 309 HE2 GLU 51 HE2 GLU 51 25.066 -2.329 2.412 310 H GLN 52 H GLN 52 22.088 -0.206 5.804 311 HA GLN 52 HA GLN 52 21.706 1.377 8.291 312 HB2 GLN 52 1HB GLN 52 21.204 3.420 6.992 313 HB3 GLN 52 2HB GLN 52 22.875 2.885 6.838 314 HG2 GLN 52 1HG GLN 52 22.361 1.906 4.609 315 HG3 GLN 52 2HG GLN 52 20.687 2.464 4.757 316 HE21 GLN 52 2HE2 GLN 52 23.829 4.030 5.503 317 HE22 GLN 52 1HE2 GLN 52 23.569 5.405 4.458 318 H GLY 53 H GLY 53 20.363 -1.005 7.004 319 HA2 GLY 53 1HA GLY 53 17.723 0.112 6.297 320 HA3 GLY 53 2HA GLY 53 18.201 -1.591 6.262 321 H PHE 54 H PHE 54 16.508 0.787 7.957 322 HA PHE 54 HA PHE 54 15.184 0.752 9.768 323 HB2 PHE 54 1HB PHE 54 15.812 -2.174 10.201 324 HB3 PHE 54 2HB PHE 54 14.409 -1.269 10.769 325 HD1 PHE 54 HD1 PHE 54 12.749 -0.371 9.007 326 HD2 PHE 54 HD2 PHE 54 15.810 -3.260 8.121 327 HE1 PHE 54 HE1 PHE 54 11.507 -1.056 6.952 328 HE2 PHE 54 HE2 PHE 54 14.592 -3.944 6.079 329 HZ PHE 54 HZ PHE 54 12.427 -2.847 5.484 330 H PHE 55 H PHE 55 15.406 1.548 11.705 331 HA PHE 55 HA PHE 55 17.875 0.849 13.222 332 HB2 PHE 55 1HB PHE 55 17.265 3.254 12.328 333 HB3 PHE 55 2HB PHE 55 16.285 3.328 13.793 334 HD1 PHE 55 HD2 PHE 55 19.745 2.780 12.495 335 HD2 PHE 55 HD1 PHE 55 17.328 3.686 15.940 336 HE1 PHE 55 HE2 PHE 55 21.803 3.331 13.786 337 HE2 PHE 55 HE1 PHE 55 19.380 4.237 17.240 338 HZ PHE 55 HZ PHE 55 21.624 4.062 16.164 339 H TYR 56 H TYR 56 15.581 -0.797 13.341 340 HA TYR 56 HA TYR 56 14.301 -1.964 14.800 341 HB2 TYR 56 1HB TYR 56 16.464 -2.241 15.850 342 HB3 TYR 56 2HB TYR 56 16.218 -0.784 16.819 343 HD1 TYR 56 HD1 TYR 56 14.740 -4.192 16.174 344 HD2 TYR 56 HD2 TYR 56 15.177 -0.923 18.941 345 HE1 TYR 56 HE1 TYR 56 13.661 -5.556 17.966 346 HE2 TYR 56 HE2 TYR 56 14.111 -2.303 20.729 347 HH TYR 56 HH TYR 56 13.255 -4.349 21.295 348 H THR 57 H THR 57 12.233 -1.671 15.216 349 HA THR 57 HA THR 57 11.536 0.342 17.284 350 HB THR 57 HB THR 57 10.723 1.503 15.439 351 HG1 THR 57 HG1 THR 57 9.014 1.233 16.845 352 HG21 THR 57 1HG2 THR 57 9.435 0.428 13.569 353 HG22 THR 57 2HG2 THR 57 9.858 -1.162 14.236 354 HG23 THR 57 3HG2 THR 57 11.135 -0.073 13.640 355 HA PRO 58 HA PRO 58 9.773 -3.565 18.592 356 HB2 PRO 58 1HB PRO 58 9.515 -3.087 21.250 357 HB3 PRO 58 2HB PRO 58 11.115 -3.386 20.505 358 HG2 PRO 58 1HG PRO 58 9.817 -0.774 21.224 359 HG3 PRO 58 2HG PRO 58 11.479 -1.343 21.569 360 HD2 PRO 58 1HD PRO 58 10.849 0.298 19.458 361 HD3 PRO 58 2HD PRO 58 12.209 -0.872 19.415 362 H LYS 59 H LYS 59 7.621 -4.241 19.016 363 HA LYS 59 HA LYS 59 5.596 -2.092 18.943 364 HB2 LYS 59 1HB LYS 59 5.310 -4.207 17.615 365 HB3 LYS 59 2HB LYS 59 5.180 -5.101 19.137 366 HG2 LYS 59 1HG LYS 59 3.228 -3.594 19.743 367 HG3 LYS 59 2HG LYS 59 3.301 -2.941 18.097 368 HD2 LYS 59 1HD LYS 59 2.925 -5.209 17.188 369 HD3 LYS 59 2HD LYS 59 2.865 -5.863 18.838 370 HE2 LYS 59 1HE LYS 59 0.969 -3.745 17.727 371 HE3 LYS 59 2HE LYS 59 0.595 -5.475 17.845 372 HZ1 LYS 59 3HZ LYS 59 -0.299 -4.248 19.728 373 HZ2 LYS 59 1HZ LYS 59 1.198 -3.700 20.148 374 HZ3 LYS 59 2HZ LYS 59 0.850 -5.309 20.252 375 H THR 60 H THR 60 5.924 -1.080 20.898 376 HA THR 60 HA THR 60 4.880 -2.606 23.252 377 HB THR 60 HB THR 60 7.032 -0.502 23.662 378 HG1 THR 60 HG1 THR 60 7.412 -3.312 23.309 379 HG21 THR 60 1HG2 THR 60 5.743 -1.333 25.661 380 HG22 THR 60 2HG2 THR 60 7.437 -1.858 25.719 381 HG23 THR 60 3HG2 THR 60 6.172 -3.004 25.235 382 HXT THR 60 H02 THR 60 5.712 0.513 22.455 Start of MODEL 4 1 H1 GLY 1 2H0 GLY 1 1.741 0.142 -3.124 2 H2 GLY 1 1H0 GLY 1 1.657 1.673 -2.493 3 HA2 GLY 1 1HA GLY 1 3.612 1.193 -1.028 4 HA3 GLY 1 2HA GLY 1 2.205 0.203 -0.641 5 H ILE 2 H ILE 2 5.290 -0.009 -0.464 6 HA ILE 2 HA ILE 2 6.215 -2.022 -2.210 7 HB ILE 2 HB ILE 2 7.651 -0.610 -0.760 8 HG12 ILE 2 1HG1 ILE 2 8.070 -3.610 -0.411 9 HG13 ILE 2 2HG1 ILE 2 8.576 -2.594 -1.802 10 HG21 ILE 2 1HG2 ILE 2 7.924 -0.962 1.616 11 HG22 ILE 2 2HG2 ILE 2 6.186 -0.936 1.358 12 HG23 ILE 2 3HG2 ILE 2 7.020 -2.474 1.594 13 HD11 ILE 2 3HD1 ILE 2 10.544 -2.918 -0.466 14 HD12 ILE 2 1HD1 ILE 2 10.019 -1.258 -0.110 15 HD13 ILE 2 2HD1 ILE 2 9.645 -2.575 1.021 16 H VAL 3 H VAL 3 4.253 -2.350 0.751 17 HA VAL 3 HA VAL 3 4.813 -5.155 0.947 18 HB VAL 3 HB VAL 3 2.456 -3.620 2.178 19 HG11 VAL 3 1HG1 VAL 3 2.311 -6.105 2.313 20 HG12 VAL 3 2HG1 VAL 3 3.910 -6.152 3.078 21 HG13 VAL 3 3HG1 VAL 3 2.573 -5.352 3.894 22 HG21 VAL 3 3HG2 VAL 3 4.074 -3.563 4.202 23 HG22 VAL 3 1HG2 VAL 3 5.359 -3.851 3.034 24 HG23 VAL 3 2HG2 VAL 3 4.332 -2.389 2.906 25 H GLU 4 H GLU 4 2.015 -3.297 -0.284 26 HA GLU 4 HA GLU 4 0.543 -5.664 -1.023 27 HB2 GLU 4 1HB GLU 4 -0.857 -4.212 -2.357 28 HB3 GLU 4 2HB GLU 4 -0.586 -3.485 -0.764 29 HG2 GLU 4 1HG GLU 4 1.200 -2.053 -1.840 30 HG3 GLU 4 2HG GLU 4 0.645 -2.630 -3.436 31 HE2 GLU 4 HE2 GLU 4 -0.491 -1.234 -4.239 32 H GLN 5 H GLN 5 3.072 -3.721 -2.633 33 HA GLN 5 HA GLN 5 2.770 -4.956 -5.188 34 HB2 GLN 5 1HB GLN 5 4.012 -2.817 -4.670 35 HB3 GLN 5 2HB GLN 5 5.293 -3.795 -3.959 36 HG2 GLN 5 1HG GLN 5 6.118 -4.417 -5.985 37 HG3 GLN 5 2HG GLN 5 4.508 -4.611 -6.693 38 HE21 GLN 5 2HE2 GLN 5 7.027 -2.274 -5.847 39 HE22 GLN 5 1HE2 GLN 5 6.427 -0.996 -6.866 40 H CYS 6 H CYS 6 5.077 -5.716 -2.474 41 HA CYS 6 HA CYS 6 6.137 -7.989 -3.894 42 HB2 CYS 6 1HB CYS 6 6.211 -7.102 -1.033 43 HB3 CYS 6 2HB CYS 6 6.832 -8.678 -1.501 44 H CYS 7 H CYS 7 3.199 -7.682 -1.960 45 HA CYS 7 HA CYS 7 3.069 -10.612 -1.678 46 HB2 CYS 7 1HB CYS 7 1.100 -8.452 -0.890 47 HB3 CYS 7 2HB CYS 7 0.863 -10.163 -0.602 48 H THR 8 H THR 8 1.248 -8.112 -3.593 49 HA THR 8 HA THR 8 -0.385 -10.213 -4.794 50 HB THR 8 HB THR 8 -1.232 -8.404 -6.259 51 HG1 THR 8 HG1 THR 8 0.480 -6.643 -4.802 52 HG21 THR 8 1HG2 THR 8 -2.224 -7.002 -4.507 53 HG22 THR 8 2HG2 THR 8 -1.040 -7.524 -3.308 54 HG23 THR 8 3HG2 THR 8 -2.210 -8.675 -3.975 55 H SER 9 H SER 9 2.668 -8.602 -5.662 56 HA SER 9 HA SER 9 2.720 -10.316 -8.095 57 HB2 SER 9 1HB SER 9 3.967 -8.624 -9.270 58 HB3 SER 9 2HB SER 9 2.537 -7.804 -8.586 59 HG SER 9 HG SER 9 4.042 -7.294 -6.767 60 H ILE 10 H ILE 10 5.028 -10.855 -8.672 61 HA ILE 10 HA ILE 10 6.551 -11.493 -6.216 62 HB ILE 10 HB ILE 10 7.096 -12.082 -9.154 63 HG12 ILE 10 1HG1 ILE 10 5.199 -13.324 -8.046 64 HG13 ILE 10 2HG1 ILE 10 6.456 -14.324 -8.756 65 HG21 ILE 10 1HG2 ILE 10 8.717 -12.862 -6.632 66 HG22 ILE 10 2HG2 ILE 10 8.898 -13.659 -8.243 67 HG23 ILE 10 3HG2 ILE 10 9.283 -11.936 -8.066 68 HD11 ILE 10 3HD1 ILE 10 5.621 -15.200 -6.536 69 HD12 ILE 10 1HD1 ILE 10 7.362 -14.821 -6.466 70 HD13 ILE 10 2HD1 ILE 10 6.147 -13.727 -5.758 71 H CYS 11 H CYS 11 8.085 -10.106 -5.423 72 HA CYS 11 HA CYS 11 9.005 -7.968 -7.273 73 HB2 CYS 11 1HB CYS 11 9.708 -6.765 -5.265 74 HB3 CYS 11 2HB CYS 11 7.965 -7.100 -5.293 75 H SER 12 H SER 12 10.831 -8.325 -8.247 76 HA SER 12 HA SER 12 12.584 -10.480 -7.468 77 HB2 SER 12 1HB SER 12 13.024 -8.306 -9.515 78 HB3 SER 12 2HB SER 12 13.842 -9.863 -9.447 79 HG SER 12 HG SER 12 12.042 -10.856 -10.189 80 H LEU 13 H LEU 13 14.893 -10.287 -7.003 81 HA LEU 13 HA LEU 13 15.574 -8.325 -5.122 82 HB2 LEU 13 1HB LEU 13 16.782 -10.489 -5.478 83 HB3 LEU 13 2HB LEU 13 17.461 -9.859 -6.961 84 HG LEU 13 HG LEU 13 18.690 -8.140 -5.693 85 HD11 LEU 13 1HD1 LEU 13 18.795 -8.250 -3.247 86 HD12 LEU 13 2HD1 LEU 13 17.507 -9.460 -3.231 87 HD13 LEU 13 3HD1 LEU 13 17.173 -7.836 -3.786 88 HD21 LEU 13 3HD2 LEU 13 20.281 -9.644 -4.585 89 HD22 LEU 13 1HD2 LEU 13 19.739 -10.312 -6.131 90 HD23 LEU 13 2HD2 LEU 13 19.109 -10.931 -4.619 91 H TYR 14 H TYR 14 16.004 -8.314 -8.645 92 HA TYR 14 HA TYR 14 17.833 -6.170 -8.801 93 HB2 TYR 14 1HB TYR 14 16.979 -7.632 -10.660 94 HB3 TYR 14 2HB TYR 14 15.472 -6.691 -10.644 95 HD1 TYR 14 HD2 TYR 14 19.153 -6.518 -11.283 96 HD2 TYR 14 HD1 TYR 14 15.346 -4.532 -11.657 97 HE1 TYR 14 HE2 TYR 14 20.164 -4.811 -12.809 98 HE2 TYR 14 HE1 TYR 14 16.339 -2.843 -13.174 99 HH TYR 14 HH TYR 14 19.783 -2.934 -14.116 100 H GLN 15 H GLN 15 14.269 -6.028 -8.740 101 HA GLN 15 HA GLN 15 14.215 -3.125 -8.621 102 HB2 GLN 15 1HB GLN 15 12.388 -4.630 -9.539 103 HB3 GLN 15 2HB GLN 15 12.034 -5.122 -7.828 104 HG2 GLN 15 1HG GLN 15 11.614 -2.745 -7.344 105 HG3 GLN 15 2HG GLN 15 11.900 -2.328 -9.043 106 HE21 GLN 15 2HE2 GLN 15 9.543 -1.655 -7.841 107 HE22 GLN 15 1HE2 GLN 15 8.278 -2.699 -8.465 108 H LEU 16 H LEU 16 14.071 -5.811 -6.209 109 HA LEU 16 HA LEU 16 13.189 -4.266 -3.988 110 HB2 LEU 16 1HB LEU 16 13.330 -6.772 -4.144 111 HB3 LEU 16 2HB LEU 16 15.074 -6.651 -3.960 112 HG LEU 16 HG LEU 16 14.051 -5.160 -1.817 113 HD11 LEU 16 1HD1 LEU 16 11.790 -6.052 -2.234 114 HD12 LEU 16 2HD1 LEU 16 12.434 -6.669 -0.694 115 HD13 LEU 16 3HD1 LEU 16 12.400 -7.716 -2.159 116 HD21 LEU 16 3HD2 LEU 16 16.002 -6.550 -1.635 117 HD22 LEU 16 1HD2 LEU 16 15.082 -8.031 -1.929 118 HD23 LEU 16 2HD2 LEU 16 14.846 -7.060 -0.429 119 H GLU 17 H GLU 17 16.480 -4.789 -5.359 120 HA GLU 17 HA GLU 17 17.956 -3.546 -3.245 121 HB2 GLU 17 1HB GLU 17 18.451 -3.922 -6.197 122 HB3 GLU 17 2HB GLU 17 19.557 -2.974 -5.199 123 HG2 GLU 17 1HG GLU 17 18.810 -5.835 -4.527 124 HG3 GLU 17 2HG GLU 17 20.166 -5.413 -5.556 125 HE2 GLU 17 HE2 GLU 17 21.081 -6.587 -3.893 126 H ASN 18 H ASN 18 15.950 -2.154 -5.813 127 HA ASN 18 HA ASN 18 17.162 0.446 -5.627 128 HB2 ASN 18 1HB ASN 18 15.602 -0.605 -7.423 129 HB3 ASN 18 2HB ASN 18 14.287 0.058 -6.397 130 HD21 ASN 18 2HD2 ASN 18 17.361 0.973 -8.033 131 HD22 ASN 18 1HD2 ASN 18 16.817 2.564 -8.418 132 H TYR 19 H TYR 19 14.950 -1.250 -3.525 133 HA TYR 19 HA TYR 19 13.999 1.216 -2.240 134 HB2 TYR 19 1HB TYR 19 13.833 -1.702 -1.386 135 HB3 TYR 19 2HB TYR 19 13.133 -0.327 -0.503 136 HD1 TYR 19 HD1 TYR 19 12.912 -2.408 -3.526 137 HD2 TYR 19 HD2 TYR 19 11.128 0.828 -1.394 138 HE1 TYR 19 HE1 TYR 19 10.911 -2.614 -4.907 139 HE2 TYR 19 HE2 TYR 19 9.082 0.611 -2.833 140 HH TYR 19 HH TYR 19 8.087 -0.480 -4.545 141 H CYS 20 H CYS 20 16.770 -0.845 -2.145 142 HA CYS 20 HA CYS 20 17.685 0.168 0.472 143 HB2 CYS 20 1HB CYS 20 18.778 -1.722 -1.587 144 HB3 CYS 20 2HB CYS 20 19.875 -0.995 -0.409 145 H ASN 21 H ASN 21 17.575 1.113 -2.754 146 HA ASN 21 HA ASN 21 18.521 2.740 -4.060 147 HB2 ASN 21 1HB ASN 21 17.353 4.121 -2.326 148 HB3 ASN 21 2HB ASN 21 18.830 4.177 -1.369 149 HD21 ASN 21 2HD2 ASN 21 19.338 6.226 -1.503 150 HD22 ASN 21 1HD2 ASN 21 19.751 7.044 -3.007 151 HXT ASN 21 H02 ASN 21 21.784 1.820 -3.928 152 H1 PHE 31 2H0 PHE 31 19.665 -14.982 -2.069 153 H2 PHE 31 1H0 PHE 31 19.702 -13.878 -0.852 154 HA PHE 31 HA PHE 31 17.118 -14.152 -0.932 155 HB2 PHE 31 1HB PHE 31 18.679 -12.154 -1.328 156 HB3 PHE 31 2HB PHE 31 18.574 -12.561 -3.038 157 HD1 PHE 31 HD1 PHE 31 16.436 -12.425 -4.270 158 HD2 PHE 31 HD2 PHE 31 16.723 -11.113 -0.139 159 HE1 PHE 31 HE1 PHE 31 14.268 -11.244 -4.487 160 HE2 PHE 31 HE2 PHE 31 14.552 -9.955 -0.460 161 HZ PHE 31 HZ PHE 31 13.349 -10.025 -2.583 162 H VAL 32 H VAL 32 15.400 -14.531 -2.249 163 HA VAL 32 HA VAL 32 15.907 -15.593 -4.967 164 HB VAL 32 HB VAL 32 16.043 -17.585 -3.472 165 HG11 VAL 32 1HG1 VAL 32 14.047 -18.380 -2.271 166 HG12 VAL 32 2HG1 VAL 32 14.747 -16.915 -1.623 167 HG13 VAL 32 3HG1 VAL 32 13.250 -16.832 -2.621 168 HG21 VAL 32 3HG2 VAL 32 13.509 -17.548 -5.173 169 HG22 VAL 32 1HG2 VAL 32 15.170 -17.917 -5.711 170 HG23 VAL 32 2HG2 VAL 32 14.386 -19.006 -4.605 171 H ASN 33 H ASN 33 14.049 -15.317 -6.306 172 HA ASN 33 HA ASN 33 12.397 -13.097 -5.374 173 HB2 ASN 33 1HB ASN 33 11.504 -13.096 -7.712 174 HB3 ASN 33 2HB ASN 33 13.257 -13.052 -7.651 175 HD21 ASN 33 2HD2 ASN 33 10.781 -14.409 -9.268 176 HD22 ASN 33 1HD2 ASN 33 11.524 -15.883 -9.805 177 H GLN 34 H GLN 34 10.961 -13.563 -3.933 178 HA GLN 34 HA GLN 34 8.784 -15.535 -4.622 179 HB2 GLN 34 1HB GLN 34 8.753 -16.236 -2.281 180 HB3 GLN 34 2HB GLN 34 10.348 -16.505 -2.915 181 HG2 GLN 34 1HG GLN 34 11.089 -14.302 -1.843 182 HG3 GLN 34 2HG GLN 34 9.486 -14.244 -1.110 183 HE21 GLN 34 2HE2 GLN 34 12.622 -15.096 -0.567 184 HE22 GLN 34 1HE2 GLN 34 12.358 -16.230 0.732 185 H HIS 35 H HIS 35 6.879 -15.087 -3.022 186 HA HIS 35 HA HIS 35 6.335 -12.183 -2.964 187 HB2 HIS 35 1HB HIS 35 4.780 -14.589 -1.898 188 HB3 HIS 35 2HB HIS 35 4.271 -12.923 -1.672 189 HD1 HIS 35 HD1 HIS 35 4.250 -11.538 -4.166 190 HD2 HIS 35 HD2 HIS 35 3.474 -15.703 -4.056 191 HE1 HIS 35 HE1 HIS 35 2.948 -12.177 -6.290 192 HE2 HIS 35 HE2 HIS 35 2.557 -14.663 -6.208 193 H LEU 36 H LEU 36 7.359 -11.016 -1.432 194 HA LEU 36 HA LEU 36 7.948 -12.309 1.191 195 HB2 LEU 36 1HB LEU 36 8.868 -9.818 -0.258 196 HB3 LEU 36 2HB LEU 36 9.165 -10.052 1.480 197 HG LEU 36 HG LEU 36 10.132 -12.011 -0.602 198 HD11 LEU 36 1HD1 LEU 36 11.577 -9.639 0.623 199 HD12 LEU 36 2HD1 LEU 36 11.040 -9.802 -1.097 200 HD13 LEU 36 3HD1 LEU 36 12.313 -10.867 -0.449 201 HD21 LEU 36 3HD2 LEU 36 10.044 -12.863 1.717 202 HD22 LEU 36 1HD2 LEU 36 11.020 -11.466 2.259 203 HD23 LEU 36 2HD2 LEU 36 11.733 -12.692 1.165 204 H CYS 37 H CYS 37 6.503 -11.884 2.831 205 HA CYS 37 HA CYS 37 4.938 -9.378 2.768 206 HB2 CYS 37 1HB CYS 37 3.898 -12.139 3.279 207 HB3 CYS 37 2HB CYS 37 2.988 -10.672 3.554 208 H GLY 38 H GLY 38 4.050 -8.760 4.781 209 HA2 GLY 38 1HA GLY 38 4.149 -8.425 7.083 210 HA3 GLY 38 2HA GLY 38 4.435 -10.162 7.177 211 H SER 39 H SER 39 5.870 -10.119 8.888 212 HA SER 39 HA SER 39 8.051 -8.370 9.162 213 HB2 SER 39 1HB SER 39 8.860 -10.757 10.358 214 HB3 SER 39 2HB SER 39 7.900 -9.476 11.129 215 HG SER 39 HG SER 39 6.229 -10.749 11.069 216 H HIS 40 H HIS 40 7.780 -11.354 7.262 217 HA HIS 40 HA HIS 40 10.567 -11.823 6.936 218 HB2 HIS 40 1HB HIS 40 8.141 -12.539 5.278 219 HB3 HIS 40 2HB HIS 40 9.774 -12.842 4.684 220 HD1 HIS 40 HD1 HIS 40 9.156 -15.392 4.661 221 HD2 HIS 40 HD2 HIS 40 9.340 -13.610 8.446 222 HE1 HIS 40 HE1 HIS 40 9.256 -17.300 6.340 223 HE2 HIS 40 HE2 HIS 40 9.378 -16.201 8.640 224 H LEU 41 H LEU 41 8.321 -9.589 5.329 225 HA LEU 41 HA LEU 41 10.008 -9.159 3.062 226 HB2 LEU 41 1HB LEU 41 7.535 -8.617 3.288 227 HB3 LEU 41 2HB LEU 41 7.982 -7.196 4.220 228 HG LEU 41 HG LEU 41 8.648 -7.696 1.298 229 HD11 LEU 41 1HD1 LEU 41 6.978 -5.991 0.909 230 HD12 LEU 41 2HD1 LEU 41 6.686 -5.838 2.660 231 HD13 LEU 41 3HD1 LEU 41 6.272 -7.351 1.817 232 HD21 LEU 41 3HD2 LEU 41 9.206 -5.236 1.268 233 HD22 LEU 41 1HD2 LEU 41 10.361 -6.196 2.184 234 HD23 LEU 41 2HD2 LEU 41 9.161 -5.238 3.016 235 H VAL 42 H VAL 42 9.399 -7.086 5.934 236 HA VAL 42 HA VAL 42 11.456 -5.310 5.121 237 HB VAL 42 HB VAL 42 11.206 -4.210 7.309 238 HG11 VAL 42 1HG1 VAL 42 8.886 -3.613 7.174 239 HG12 VAL 42 2HG1 VAL 42 9.473 -3.869 5.525 240 HG13 VAL 42 3HG1 VAL 42 8.443 -5.102 6.321 241 HG21 VAL 42 3HG2 VAL 42 9.519 -6.661 8.074 242 HG22 VAL 42 1HG2 VAL 42 11.025 -6.089 8.822 243 HG23 VAL 42 2HG2 VAL 42 9.565 -5.150 8.956 244 H GLU 43 H GLU 43 11.516 -8.207 7.165 245 HA GLU 43 HA GLU 43 14.174 -7.667 8.146 246 HB2 GLU 43 1HB GLU 43 12.416 -9.180 9.126 247 HB3 GLU 43 2HB GLU 43 12.886 -10.389 7.932 248 HG2 GLU 43 1HG GLU 43 14.989 -10.679 8.901 249 HG3 GLU 43 2HG GLU 43 14.947 -9.107 9.715 250 HE2 GLU 43 HE2 GLU 43 15.489 -10.169 11.422 251 H ALA 44 H ALA 44 12.982 -9.399 5.249 252 HA ALA 44 HA ALA 44 15.577 -10.378 4.517 253 HB1 ALA 44 3HB ALA 44 13.177 -9.726 2.787 254 HB2 ALA 44 1HB ALA 44 14.609 -10.661 2.265 255 HB3 ALA 44 2HB ALA 44 13.553 -11.293 3.546 256 H LEU 45 H LEU 45 13.714 -7.429 3.868 257 HA LEU 45 HA LEU 45 15.556 -6.275 2.005 258 HB2 LEU 45 1HB LEU 45 13.071 -5.689 2.846 259 HB3 LEU 45 2HB LEU 45 13.924 -4.558 3.877 260 HG LEU 45 HG LEU 45 14.234 -4.621 0.858 261 HD11 LEU 45 1HD1 LEU 45 11.888 -4.250 1.478 262 HD12 LEU 45 2HD1 LEU 45 12.614 -2.750 0.831 263 HD13 LEU 45 3HD1 LEU 45 12.345 -2.938 2.563 264 HD21 LEU 45 3HD2 LEU 45 15.032 -2.322 1.123 265 HD22 LEU 45 1HD2 LEU 45 15.978 -3.420 2.120 266 HD23 LEU 45 2HD2 LEU 45 14.753 -2.405 2.868 267 H TYR 46 H TYR 46 15.234 -6.035 5.598 268 HA TYR 46 HA TYR 46 17.429 -4.277 6.026 269 HB2 TYR 46 1HB TYR 46 16.012 -4.767 7.854 270 HB3 TYR 46 2HB TYR 46 16.139 -6.505 7.622 271 HD1 TYR 46 HD2 TYR 46 18.020 -3.525 8.819 272 HD2 TYR 46 HD1 TYR 46 17.896 -7.808 8.645 273 HE1 TYR 46 HE2 TYR 46 19.815 -3.635 10.515 274 HE2 TYR 46 HE1 TYR 46 19.757 -7.914 10.328 275 HH TYR 46 HH TYR 46 21.154 -6.746 11.709 276 H LEU 47 H LEU 47 17.367 -7.891 5.822 277 HA LEU 47 HA LEU 47 20.103 -8.298 6.511 278 HB2 LEU 47 1HB LEU 47 18.065 -9.881 4.948 279 HB3 LEU 47 2HB LEU 47 19.705 -10.485 5.117 280 HG LEU 47 HG LEU 47 17.996 -9.801 7.538 281 HD11 LEU 47 1HD1 LEU 47 16.822 -11.488 6.219 282 HD12 LEU 47 2HD1 LEU 47 17.525 -12.220 7.658 283 HD13 LEU 47 3HD1 LEU 47 18.306 -12.444 6.082 284 HD21 LEU 47 3HD2 LEU 47 19.597 -11.323 8.667 285 HD22 LEU 47 1HD2 LEU 47 20.418 -9.955 7.975 286 HD23 LEU 47 2HD2 LEU 47 20.463 -11.555 7.187 287 H VAL 48 H VAL 48 18.565 -7.854 3.299 288 HA VAL 48 HA VAL 48 21.145 -8.213 1.983 289 HB VAL 48 HB VAL 48 18.943 -8.789 0.912 290 HG11 VAL 48 1HG1 VAL 48 18.645 -5.787 0.463 291 HG12 VAL 48 2HG1 VAL 48 17.550 -7.093 -0.097 292 HG13 VAL 48 3HG1 VAL 48 17.744 -6.769 1.649 293 HG21 VAL 48 3HG2 VAL 48 21.087 -8.404 -0.410 294 HG22 VAL 48 1HG2 VAL 48 19.611 -8.069 -1.302 295 HG23 VAL 48 2HG2 VAL 48 20.538 -6.701 -0.684 296 H CYS 49 H CYS 49 19.276 -5.406 3.203 297 HA CYS 49 HA CYS 49 20.803 -3.400 1.767 298 HB2 CYS 49 1HB CYS 49 18.755 -3.575 3.801 299 HB3 CYS 49 2HB CYS 49 19.996 -2.430 4.290 300 H GLY 50 H GLY 50 21.263 -5.075 4.869 301 HA2 GLY 50 1HA GLY 50 23.058 -5.040 6.326 302 HA3 GLY 50 2HA GLY 50 24.050 -4.396 5.006 303 H GLU 51 H GLU 51 21.076 -2.909 6.242 304 HA GLU 51 HA GLU 51 22.739 -0.633 7.196 305 HB2 GLU 51 1HB GLU 51 21.080 -0.723 4.942 306 HB3 GLU 51 2HB GLU 51 20.062 0.042 6.141 307 HG2 GLU 51 1HG GLU 51 22.889 0.979 5.479 308 HG3 GLU 51 2HG GLU 51 21.409 1.610 4.688 309 HE2 GLU 51 HE2 GLU 51 22.495 3.636 7.503 310 H GLN 52 H GLN 52 21.981 0.538 8.948 311 HA GLN 52 HA GLN 52 20.555 -0.998 10.880 312 HB2 GLN 52 1HB GLN 52 21.027 0.945 12.349 313 HB3 GLN 52 2HB GLN 52 22.456 0.304 11.516 314 HG2 GLN 52 1HG GLN 52 22.341 2.141 9.867 315 HG3 GLN 52 2HG GLN 52 20.905 2.782 10.627 316 HE21 GLN 52 2HE2 GLN 52 21.320 4.552 11.705 317 HE22 GLN 52 1HE2 GLN 52 22.728 4.820 12.668 318 H GLY 53 H GLY 53 18.805 -0.454 8.760 319 HA2 GLY 53 1HA GLY 53 16.997 1.688 9.758 320 HA3 GLY 53 2HA GLY 53 16.932 0.907 8.201 321 H PHE 54 H PHE 54 14.650 1.169 9.258 322 HA PHE 54 HA PHE 54 12.735 0.168 9.954 323 HB2 PHE 54 1HB PHE 54 14.128 -2.489 9.742 324 HB3 PHE 54 2HB PHE 54 12.411 -2.253 9.885 325 HD1 PHE 54 HD2 PHE 54 11.225 -0.864 8.029 326 HD2 PHE 54 HD1 PHE 54 15.138 -2.511 7.587 327 HE1 PHE 54 HE2 PHE 54 10.981 -0.692 5.572 328 HE2 PHE 54 HE1 PHE 54 14.935 -2.332 5.102 329 HZ PHE 54 HZ PHE 54 12.874 -1.404 4.090 330 H PHE 55 H PHE 55 11.781 0.237 11.806 331 HA PHE 55 HA PHE 55 13.291 -0.103 14.308 332 HB2 PHE 55 1HB PHE 55 10.301 0.328 13.849 333 HB3 PHE 55 2HB PHE 55 11.117 0.391 15.397 334 HD1 PHE 55 HD2 PHE 55 12.928 2.208 15.725 335 HD2 PHE 55 HD1 PHE 55 10.143 2.256 12.479 336 HE1 PHE 55 HE2 PHE 55 13.346 4.640 15.437 337 HE2 PHE 55 HE1 PHE 55 10.525 4.679 12.145 338 HZ PHE 55 HZ PHE 55 12.149 5.880 13.652 339 H TYR 56 H TYR 56 13.834 -2.144 14.891 340 HA TYR 56 HA TYR 56 11.646 -4.024 15.452 341 HB2 TYR 56 1HB TYR 56 12.239 -4.556 13.141 342 HB3 TYR 56 2HB TYR 56 13.974 -4.589 13.566 343 HD1 TYR 56 HD2 TYR 56 10.769 -6.246 14.725 344 HD2 TYR 56 HD1 TYR 56 14.920 -6.676 13.744 345 HE1 TYR 56 HE2 TYR 56 10.663 -8.717 15.179 346 HE2 TYR 56 HE1 TYR 56 14.793 -9.110 14.201 347 HH TYR 56 HH TYR 56 11.752 -10.709 15.189 348 H THR 57 H THR 57 11.979 -4.617 17.479 349 HA THR 57 HA THR 57 14.649 -5.572 18.210 350 HB THR 57 HB THR 57 14.957 -3.468 19.180 351 HG1 THR 57 HG1 THR 57 14.991 -3.914 21.347 352 HG21 THR 57 1HG2 THR 57 13.312 -2.309 20.633 353 HG22 THR 57 2HG2 THR 57 12.098 -3.550 20.251 354 HG23 THR 57 3HG2 THR 57 12.731 -2.477 18.970 355 HA PRO 58 HA PRO 58 11.357 -8.409 19.281 356 HB2 PRO 58 1HB PRO 58 12.665 -10.793 19.027 357 HB3 PRO 58 2HB PRO 58 12.135 -9.812 17.631 358 HG2 PRO 58 1HG PRO 58 14.874 -9.922 18.915 359 HG3 PRO 58 2HG PRO 58 14.446 -10.080 17.190 360 HD2 PRO 58 1HD PRO 58 15.289 -7.745 18.350 361 HD3 PRO 58 2HD PRO 58 14.153 -7.777 16.980 362 H LYS 59 H LYS 59 10.787 -9.551 21.178 363 HA LYS 59 HA LYS 59 12.859 -9.716 23.317 364 HB2 LYS 59 1HB LYS 59 9.871 -9.301 23.596 365 HB3 LYS 59 2HB LYS 59 10.995 -9.592 24.953 366 HG2 LYS 59 1HG LYS 59 12.262 -7.558 24.281 367 HG3 LYS 59 2HG LYS 59 11.047 -7.247 23.027 368 HD2 LYS 59 1HD LYS 59 9.305 -7.033 24.678 369 HD3 LYS 59 2HD LYS 59 10.467 -7.497 25.990 370 HE2 LYS 59 1HE LYS 59 11.834 -5.501 25.407 371 HE3 LYS 59 2HE LYS 59 10.580 -5.017 24.216 372 HZ1 LYS 59 3HZ LYS 59 10.462 -3.922 26.478 373 HZ2 LYS 59 1HZ LYS 59 9.980 -5.356 27.105 374 HZ3 LYS 59 2HZ LYS 59 9.070 -4.640 25.948 375 H THR 60 H THR 60 10.454 -11.410 21.526 376 HA THR 60 HA THR 60 11.091 -13.889 23.057 377 HB THR 60 HB THR 60 8.674 -13.838 21.305 378 HG1 THR 60 HG1 THR 60 8.175 -12.728 23.807 379 HG21 THR 60 1HG2 THR 60 7.658 -15.062 23.234 380 HG22 THR 60 2HG2 THR 60 9.033 -14.702 24.254 381 HG23 THR 60 3HG2 THR 60 9.222 -15.788 22.837 382 HXT THR 60 H02 THR 60 11.551 -13.971 19.223 Start of MODEL 5 1 H1 GLY 1 2H0 GLY 1 4.143 3.059 -0.866 2 H2 GLY 1 1H0 GLY 1 4.238 1.998 0.366 3 HA2 GLY 1 1HA GLY 1 2.672 1.004 -1.014 4 HA3 GLY 1 2HA GLY 1 3.550 1.493 -2.477 5 H ILE 2 H ILE 2 5.887 0.628 -0.750 6 HA ILE 2 HA ILE 2 6.676 -1.638 -2.145 7 HB ILE 2 HB ILE 2 8.402 -0.541 -0.928 8 HG12 ILE 2 1HG1 ILE 2 9.338 -2.230 0.726 9 HG13 ILE 2 2HG1 ILE 2 7.876 -3.128 0.480 10 HG21 ILE 2 1HG2 ILE 2 6.990 0.563 0.813 11 HG22 ILE 2 2HG2 ILE 2 6.893 -0.995 1.691 12 HG23 ILE 2 3HG2 ILE 2 8.454 -0.161 1.505 13 HD11 ILE 2 3HD1 ILE 2 8.478 -3.393 -1.955 14 HD12 ILE 2 1HD1 ILE 2 10.019 -2.632 -1.556 15 HD13 ILE 2 2HD1 ILE 2 9.580 -4.182 -0.802 16 H VAL 3 H VAL 3 5.044 -1.756 1.063 17 HA VAL 3 HA VAL 3 5.136 -4.602 1.224 18 HB VAL 3 HB VAL 3 3.046 -2.767 2.473 19 HG11 VAL 3 1HG1 VAL 3 2.867 -4.497 4.198 20 HG12 VAL 3 2HG1 VAL 3 2.412 -5.128 2.608 21 HG13 VAL 3 3HG1 VAL 3 4.037 -5.512 3.286 22 HG21 VAL 3 3HG2 VAL 3 5.270 -1.979 3.098 23 HG22 VAL 3 1HG2 VAL 3 4.535 -2.774 4.479 24 HG23 VAL 3 2HG2 VAL 3 5.783 -3.611 3.520 25 H GLU 4 H GLU 4 2.579 -2.407 0.009 26 HA GLU 4 HA GLU 4 0.690 -4.402 -0.509 27 HB2 GLU 4 1HB GLU 4 1.155 -1.749 -1.901 28 HB3 GLU 4 2HB GLU 4 -0.284 -2.729 -2.088 29 HG2 GLU 4 1HG GLU 4 -0.729 -2.508 0.315 30 HG3 GLU 4 2HG GLU 4 0.723 -1.502 0.509 31 HE2 GLU 4 HE2 GLU 4 -1.564 0.394 -1.959 32 H GLN 5 H GLN 5 3.272 -3.022 -2.534 33 HA GLN 5 HA GLN 5 2.587 -4.474 -4.918 34 HB2 GLN 5 1HB GLN 5 5.189 -3.291 -3.851 35 HB3 GLN 5 2HB GLN 5 5.024 -3.970 -5.495 36 HG2 GLN 5 1HG GLN 5 3.391 -2.250 -6.086 37 HG3 GLN 5 2HG GLN 5 3.288 -1.680 -4.419 38 HE21 GLN 5 2HE2 GLN 5 3.786 0.430 -5.223 39 HE22 GLN 5 1HE2 GLN 5 5.455 0.853 -5.561 40 H CYS 6 H CYS 6 5.015 -5.219 -2.336 41 HA CYS 6 HA CYS 6 5.798 -7.620 -3.696 42 HB2 CYS 6 1HB CYS 6 6.664 -6.089 -1.466 43 HB3 CYS 6 2HB CYS 6 6.422 -7.764 -0.929 44 H CYS 7 H CYS 7 3.281 -6.970 -1.315 45 HA CYS 7 HA CYS 7 2.965 -9.709 -0.501 46 HB2 CYS 7 1HB CYS 7 1.978 -7.376 0.382 47 HB3 CYS 7 2HB CYS 7 0.582 -7.921 -0.601 48 H THR 8 H THR 8 2.088 -8.022 -3.430 49 HA THR 8 HA THR 8 0.302 -10.295 -4.204 50 HB THR 8 HB THR 8 -0.731 -8.671 -5.823 51 HG1 THR 8 HG1 THR 8 0.464 -6.553 -4.426 52 HG21 THR 8 1HG2 THR 8 -2.012 -7.391 -4.213 53 HG22 THR 8 2HG2 THR 8 -0.731 -7.498 -2.993 54 HG23 THR 8 3HG2 THR 8 -1.638 -8.987 -3.444 55 H SER 9 H SER 9 3.155 -8.468 -5.105 56 HA SER 9 HA SER 9 3.239 -9.961 -7.721 57 HB2 SER 9 1HB SER 9 4.882 -7.580 -6.712 58 HB3 SER 9 2HB SER 9 4.953 -8.260 -8.356 59 HG SER 9 HG SER 9 2.693 -7.049 -7.081 60 H ILE 10 H ILE 10 5.531 -10.745 -8.312 61 HA ILE 10 HA ILE 10 6.515 -12.278 -6.003 62 HB ILE 10 HB ILE 10 7.554 -12.112 -8.866 63 HG12 ILE 10 1HG1 ILE 10 5.183 -12.917 -8.700 64 HG13 ILE 10 2HG1 ILE 10 6.306 -14.097 -9.352 65 HG21 ILE 10 1HG2 ILE 10 8.531 -14.396 -8.263 66 HG22 ILE 10 2HG2 ILE 10 9.349 -13.022 -7.533 67 HG23 ILE 10 3HG2 ILE 10 8.208 -14.002 -6.561 68 HD11 ILE 10 3HD1 ILE 10 5.355 -14.131 -6.424 69 HD12 ILE 10 1HD1 ILE 10 4.594 -15.043 -7.749 70 HD13 ILE 10 2HD1 ILE 10 6.255 -15.405 -7.287 71 H CYS 11 H CYS 11 8.119 -11.631 -4.651 72 HA CYS 11 HA CYS 11 9.567 -9.134 -5.162 73 HB2 CYS 11 1HB CYS 11 9.880 -11.252 -2.969 74 HB3 CYS 11 2HB CYS 11 10.471 -9.576 -2.931 75 H SER 12 H SER 12 11.901 -8.967 -5.254 76 HA SER 12 HA SER 12 13.403 -11.502 -5.639 77 HB2 SER 12 1HB SER 12 14.362 -10.678 -7.775 78 HB3 SER 12 2HB SER 12 12.634 -11.001 -7.957 79 HG SER 12 HG SER 12 12.227 -8.880 -7.958 80 H LEU 13 H LEU 13 15.686 -11.107 -5.305 81 HA LEU 13 HA LEU 13 16.312 -8.979 -3.513 82 HB2 LEU 13 1HB LEU 13 17.476 -11.189 -3.779 83 HB3 LEU 13 2HB LEU 13 18.227 -10.595 -5.251 84 HG LEU 13 HG LEU 13 18.630 -9.069 -2.737 85 HD11 LEU 13 1HD1 LEU 13 20.619 -10.519 -2.224 86 HD12 LEU 13 2HD1 LEU 13 19.987 -11.676 -3.402 87 HD13 LEU 13 3HD1 LEU 13 19.027 -11.298 -1.970 88 HD21 LEU 13 3HD2 LEU 13 20.432 -9.723 -5.102 89 HD22 LEU 13 1HD2 LEU 13 20.901 -8.722 -3.740 90 HD23 LEU 13 2HD2 LEU 13 19.614 -8.182 -4.792 91 H TYR 14 H TYR 14 16.742 -9.347 -7.004 92 HA TYR 14 HA TYR 14 18.374 -7.103 -7.522 93 HB2 TYR 14 1HB TYR 14 17.728 -8.974 -9.075 94 HB3 TYR 14 2HB TYR 14 16.135 -8.240 -9.244 95 HD1 TYR 14 HD2 TYR 14 19.720 -7.957 -10.092 96 HD2 TYR 14 HD1 TYR 14 15.832 -6.134 -10.519 97 HE1 TYR 14 HE2 TYR 14 20.577 -6.518 -11.937 98 HE2 TYR 14 HE1 TYR 14 16.713 -4.717 -12.365 99 HH TYR 14 HH TYR 14 18.577 -4.123 -13.636 100 H GLN 15 H GLN 15 14.766 -7.296 -7.369 101 HA GLN 15 HA GLN 15 14.476 -4.458 -7.932 102 HB2 GLN 15 1HB GLN 15 12.696 -6.279 -8.232 103 HB3 GLN 15 2HB GLN 15 12.494 -6.239 -6.466 104 HG2 GLN 15 1HG GLN 15 12.104 -3.677 -6.812 105 HG3 GLN 15 2HG GLN 15 11.979 -4.064 -8.527 106 HE21 GLN 15 2HE2 GLN 15 10.300 -5.511 -9.214 107 HE22 GLN 15 1HE2 GLN 15 8.818 -5.681 -8.267 108 H LEU 16 H LEU 16 14.599 -6.488 -4.955 109 HA LEU 16 HA LEU 16 13.835 -4.446 -3.143 110 HB2 LEU 16 1HB LEU 16 14.728 -7.124 -2.999 111 HB3 LEU 16 2HB LEU 16 15.797 -6.193 -1.970 112 HG LEU 16 HG LEU 16 13.841 -5.324 -0.699 113 HD11 LEU 16 1HD1 LEU 16 12.284 -7.160 -2.596 114 HD12 LEU 16 2HD1 LEU 16 12.087 -5.408 -2.429 115 HD13 LEU 16 3HD1 LEU 16 11.617 -6.489 -1.095 116 HD21 LEU 16 3HD2 LEU 16 13.850 -8.314 -0.901 117 HD22 LEU 16 1HD2 LEU 16 13.337 -7.313 0.471 118 HD23 LEU 16 2HD2 LEU 16 15.075 -7.344 -0.027 119 H GLU 17 H GLU 17 17.008 -5.042 -4.653 120 HA GLU 17 HA GLU 17 18.551 -3.422 -2.857 121 HB2 GLU 17 1HB GLU 17 18.827 -4.200 -5.746 122 HB3 GLU 17 2HB GLU 17 19.987 -3.125 -4.953 123 HG2 GLU 17 1HG GLU 17 20.537 -4.842 -3.289 124 HG3 GLU 17 2HG GLU 17 19.349 -5.924 -4.022 125 HE2 GLU 17 HE2 GLU 17 22.329 -5.190 -3.828 126 H ASN 18 H ASN 18 16.234 -2.603 -5.373 127 HA ASN 18 HA ASN 18 17.228 0.096 -5.763 128 HB2 ASN 18 1HB ASN 18 15.654 -1.228 -7.298 129 HB3 ASN 18 2HB ASN 18 14.350 -0.904 -6.154 130 HD21 ASN 18 2HD2 ASN 18 13.108 0.730 -6.830 131 HD22 ASN 18 1HD2 ASN 18 13.672 2.107 -7.715 132 H TYR 19 H TYR 19 15.590 -1.367 -3.132 133 HA TYR 19 HA TYR 19 14.493 1.226 -2.172 134 HB2 TYR 19 1HB TYR 19 14.253 -1.578 -1.033 135 HB3 TYR 19 2HB TYR 19 13.480 -0.151 -0.379 136 HD1 TYR 19 HD1 TYR 19 13.641 -2.407 -3.387 137 HD2 TYR 19 HD2 TYR 19 11.379 0.578 -1.242 138 HE1 TYR 19 HE1 TYR 19 11.626 -2.842 -4.855 139 HE2 TYR 19 HE2 TYR 19 9.424 0.133 -2.709 140 HH TYR 19 HH TYR 19 9.441 -2.381 -5.204 141 H CYS 20 H CYS 20 17.485 0.043 -2.315 142 HA CYS 20 HA CYS 20 18.378 -0.071 0.359 143 HB2 CYS 20 1HB CYS 20 19.732 -0.660 -1.770 144 HB3 CYS 20 2HB CYS 20 19.977 1.079 -1.981 145 H ASN 21 H ASN 21 17.508 2.593 -1.687 146 HA ASN 21 HA ASN 21 17.890 4.479 0.604 147 HB2 ASN 21 1HB ASN 21 19.689 4.431 -1.694 148 HB3 ASN 21 2HB ASN 21 18.648 5.856 -1.876 149 HD21 ASN 21 2HD2 ASN 21 18.159 6.885 0.466 150 HD22 ASN 21 1HD2 ASN 21 19.604 7.262 1.342 151 HXT ASN 21 H02 ASN 21 15.351 6.305 -0.764 152 H1 PHE 31 2H0 PHE 31 17.764 -17.057 -0.516 153 H2 PHE 31 1H0 PHE 31 18.405 -16.452 -1.889 154 HA PHE 31 HA PHE 31 16.401 -15.038 -0.178 155 HB2 PHE 31 1HB PHE 31 18.056 -13.653 -1.522 156 HB3 PHE 31 2HB PHE 31 17.497 -14.354 -2.974 157 HD1 PHE 31 HD1 PHE 31 14.930 -14.109 -3.542 158 HD2 PHE 31 HD2 PHE 31 16.980 -11.769 -0.551 159 HE1 PHE 31 HE1 PHE 31 13.112 -12.445 -3.628 160 HE2 PHE 31 HE2 PHE 31 15.161 -10.063 -0.647 161 HZ PHE 31 HZ PHE 31 13.243 -10.392 -2.190 162 H VAL 32 H VAL 32 14.376 -15.336 -0.507 163 HA VAL 32 HA VAL 32 13.653 -17.401 -2.533 164 HB VAL 32 HB VAL 32 11.429 -17.448 -1.101 165 HG11 VAL 32 1HG1 VAL 32 12.394 -19.222 0.294 166 HG12 VAL 32 2HG1 VAL 32 13.032 -19.326 -1.361 167 HG13 VAL 32 3HG1 VAL 32 14.046 -18.628 -0.075 168 HG21 VAL 32 3HG2 VAL 32 11.759 -17.003 1.282 169 HG22 VAL 32 1HG2 VAL 32 13.439 -16.534 1.036 170 HG23 VAL 32 2HG2 VAL 32 12.129 -15.495 0.375 171 H ASN 33 H ASN 33 12.825 -16.686 -4.334 172 HA ASN 33 HA ASN 33 11.551 -14.032 -4.551 173 HB2 ASN 33 1HB ASN 33 12.178 -16.282 -6.488 174 HB3 ASN 33 2HB ASN 33 11.135 -14.918 -6.916 175 HD21 ASN 33 2HD2 ASN 33 12.731 -14.506 -8.598 176 HD22 ASN 33 1HD2 ASN 33 14.138 -13.580 -8.155 177 H GLN 34 H GLN 34 9.746 -14.157 -3.254 178 HA GLN 34 HA GLN 34 7.455 -15.643 -4.403 179 HB2 GLN 34 1HB GLN 34 6.853 -16.629 -2.196 180 HB3 GLN 34 2HB GLN 34 8.396 -17.224 -2.769 181 HG2 GLN 34 1HG GLN 34 9.532 -15.592 -1.269 182 HG3 GLN 34 2HG GLN 34 7.940 -15.169 -0.611 183 HE21 GLN 34 2HE2 GLN 34 8.963 -15.867 1.423 184 HE22 GLN 34 1HE2 GLN 34 9.016 -17.559 1.811 185 H HIS 35 H HIS 35 5.469 -14.956 -2.833 186 HA HIS 35 HA HIS 35 5.444 -12.013 -2.885 187 HB2 HIS 35 1HB HIS 35 3.423 -13.976 -1.776 188 HB3 HIS 35 2HB HIS 35 3.167 -12.241 -2.070 189 HD1 HIS 35 HD1 HIS 35 3.736 -11.573 -4.797 190 HD2 HIS 35 HD2 HIS 35 2.325 -15.407 -3.837 191 HE1 HIS 35 HE1 HIS 35 2.692 -12.552 -6.890 192 HE2 HIS 35 HE2 HIS 35 1.882 -14.848 -6.307 193 H LEU 36 H LEU 36 7.255 -11.728 -1.391 194 HA LEU 36 HA LEU 36 7.003 -12.605 1.333 195 HB2 LEU 36 1HB LEU 36 8.681 -10.431 0.024 196 HB3 LEU 36 2HB LEU 36 8.802 -10.846 1.747 197 HG LEU 36 HG LEU 36 9.379 -12.836 -0.482 198 HD11 LEU 36 1HD1 LEU 36 10.983 -10.930 -0.537 199 HD12 LEU 36 2HD1 LEU 36 11.761 -12.432 0.015 200 HD13 LEU 36 3HD1 LEU 36 11.340 -11.186 1.192 201 HD21 LEU 36 3HD2 LEU 36 8.775 -13.868 1.656 202 HD22 LEU 36 1HD2 LEU 36 9.929 -12.813 2.519 203 HD23 LEU 36 2HD2 LEU 36 10.511 -14.030 1.392 204 H CYS 37 H CYS 37 6.064 -11.648 2.996 205 HA CYS 37 HA CYS 37 5.037 -8.915 2.819 206 HB2 CYS 37 1HB CYS 37 3.428 -10.686 1.711 207 HB3 CYS 37 2HB CYS 37 3.070 -11.125 3.392 208 H GLY 38 H GLY 38 4.043 -8.422 5.034 209 HA2 GLY 38 1HA GLY 38 4.188 -8.515 7.338 210 HA3 GLY 38 2HA GLY 38 4.435 -10.259 7.188 211 H SER 39 H SER 39 5.951 -10.371 8.868 212 HA SER 39 HA SER 39 8.113 -8.604 9.182 213 HB2 SER 39 1HB SER 39 9.099 -10.516 10.517 214 HB3 SER 39 2HB SER 39 7.482 -10.003 10.990 215 HG SER 39 HG SER 39 7.590 -12.262 10.839 216 H HIS 40 H HIS 40 7.808 -11.478 7.184 217 HA HIS 40 HA HIS 40 10.573 -11.930 6.747 218 HB2 HIS 40 1HB HIS 40 8.071 -12.647 5.231 219 HB3 HIS 40 2HB HIS 40 9.691 -13.159 4.664 220 HD1 HIS 40 HD1 HIS 40 7.798 -15.394 5.393 221 HD2 HIS 40 HD2 HIS 40 10.336 -13.565 8.176 222 HE1 HIS 40 HE1 HIS 40 8.116 -17.053 7.308 223 HE2 HIS 40 HE2 HIS 40 9.634 -15.948 8.969 224 H LEU 41 H LEU 41 8.295 -9.738 5.114 225 HA LEU 41 HA LEU 41 10.034 -9.221 2.886 226 HB2 LEU 41 1HB LEU 41 7.593 -8.750 2.893 227 HB3 LEU 41 2HB LEU 41 7.861 -7.516 4.131 228 HG LEU 41 HG LEU 41 9.146 -6.140 2.590 229 HD11 LEU 41 1HD1 LEU 41 8.595 -8.235 0.417 230 HD12 LEU 41 2HD1 LEU 41 10.204 -7.821 1.090 231 HD13 LEU 41 3HD1 LEU 41 9.270 -6.629 0.164 232 HD21 LEU 41 3HD2 LEU 41 6.481 -7.100 1.389 233 HD22 LEU 41 1HD2 LEU 41 7.267 -5.520 1.121 234 HD23 LEU 41 2HD2 LEU 41 6.664 -5.932 2.730 235 H VAL 42 H VAL 42 9.476 -7.490 6.007 236 HA VAL 42 HA VAL 42 11.474 -5.507 5.335 237 HB VAL 42 HB VAL 42 11.245 -4.711 7.689 238 HG11 VAL 42 1HG1 VAL 42 8.526 -5.369 6.473 239 HG12 VAL 42 2HG1 VAL 42 8.916 -4.009 7.540 240 HG13 VAL 42 3HG1 VAL 42 9.596 -4.078 5.870 241 HG21 VAL 42 3HG2 VAL 42 10.928 -6.938 8.799 242 HG22 VAL 42 1HG2 VAL 42 9.703 -5.754 9.221 243 HG23 VAL 42 2HG2 VAL 42 9.313 -7.039 8.059 244 H GLU 43 H GLU 43 11.566 -8.615 6.936 245 HA GLU 43 HA GLU 43 14.227 -8.351 8.069 246 HB2 GLU 43 1HB GLU 43 12.629 -10.167 8.639 247 HB3 GLU 43 2HB GLU 43 12.871 -10.850 7.024 248 HG2 GLU 43 1HG GLU 43 15.266 -11.281 7.517 249 HG3 GLU 43 2HG GLU 43 15.003 -10.635 9.152 250 HE2 GLU 43 HE2 GLU 43 14.008 -13.008 7.017 251 H ALA 44 H ALA 44 13.040 -9.656 4.903 252 HA ALA 44 HA ALA 44 15.638 -10.250 3.900 253 HB1 ALA 44 3HB ALA 44 13.583 -11.124 2.910 254 HB2 ALA 44 1HB ALA 44 13.147 -9.483 2.383 255 HB3 ALA 44 2HB ALA 44 14.566 -10.304 1.693 256 H LEU 45 H LEU 45 13.634 -7.330 3.646 257 HA LEU 45 HA LEU 45 15.468 -5.918 1.993 258 HB2 LEU 45 1HB LEU 45 12.948 -5.528 2.565 259 HB3 LEU 45 2HB LEU 45 13.553 -4.501 3.860 260 HG LEU 45 HG LEU 45 14.396 -4.159 0.970 261 HD11 LEU 45 1HD1 LEU 45 11.991 -4.224 0.961 262 HD12 LEU 45 2HD1 LEU 45 12.541 -2.560 0.681 263 HD13 LEU 45 3HD1 LEU 45 11.926 -3.038 2.282 264 HD21 LEU 45 3HD2 LEU 45 14.698 -1.798 1.514 265 HD22 LEU 45 1HD2 LEU 45 15.665 -2.816 2.547 266 HD23 LEU 45 2HD2 LEU 45 14.172 -2.110 3.190 267 H TYR 46 H TYR 46 15.147 -6.107 5.545 268 HA TYR 46 HA TYR 46 17.108 -4.133 6.210 269 HB2 TYR 46 1HB TYR 46 15.679 -5.261 7.891 270 HB3 TYR 46 2HB TYR 46 16.525 -6.802 7.613 271 HD1 TYR 46 HD1 TYR 46 19.002 -6.956 8.243 272 HD2 TYR 46 HD2 TYR 46 16.556 -3.618 9.396 273 HE1 TYR 46 HE1 TYR 46 20.656 -6.367 10.000 274 HE2 TYR 46 HE2 TYR 46 18.181 -3.035 11.188 275 HH TYR 46 HH TYR 46 20.098 -3.529 12.128 276 H LEU 47 H LEU 47 17.446 -7.682 5.667 277 HA LEU 47 HA LEU 47 20.261 -7.769 5.987 278 HB2 LEU 47 1HB LEU 47 18.396 -9.498 4.375 279 HB3 LEU 47 2HB LEU 47 20.073 -9.880 4.713 280 HG LEU 47 HG LEU 47 17.944 -9.654 6.836 281 HD11 LEU 47 1HD1 LEU 47 17.482 -11.431 5.288 282 HD12 LEU 47 2HD1 LEU 47 17.974 -12.077 6.874 283 HD13 LEU 47 3HD1 LEU 47 19.132 -12.081 5.498 284 HD21 LEU 47 3HD2 LEU 47 20.811 -10.741 6.939 285 HD22 LEU 47 1HD2 LEU 47 19.618 -10.836 8.254 286 HD23 LEU 47 2HD2 LEU 47 20.280 -9.276 7.678 287 H VAL 48 H VAL 48 18.338 -7.068 3.086 288 HA VAL 48 HA VAL 48 20.605 -7.266 1.255 289 HB VAL 48 HB VAL 48 17.833 -5.952 1.047 290 HG11 VAL 48 1HG1 VAL 48 20.031 -6.139 -1.030 291 HG12 VAL 48 2HG1 VAL 48 18.309 -5.840 -1.412 292 HG13 VAL 48 3HG1 VAL 48 19.207 -4.655 -0.438 293 HG21 VAL 48 3HG2 VAL 48 18.059 -8.424 1.088 294 HG22 VAL 48 1HG2 VAL 48 17.355 -7.832 -0.421 295 HG23 VAL 48 2HG2 VAL 48 19.074 -8.338 -0.316 296 H CYS 49 H CYS 49 18.983 -4.548 2.916 297 HA CYS 49 HA CYS 49 21.471 -2.944 2.773 298 HB2 CYS 49 1HB CYS 49 19.289 -2.743 0.838 299 HB3 CYS 49 2HB CYS 49 19.546 -1.219 1.657 300 H GLY 50 H GLY 50 18.536 -3.581 4.357 301 HA2 GLY 50 1HA GLY 50 17.915 -0.711 4.835 302 HA3 GLY 50 2HA GLY 50 16.899 -2.119 5.194 303 H GLU 51 H GLU 51 20.250 -1.620 6.297 304 HA GLU 51 HA GLU 51 19.560 -2.371 8.975 305 HB2 GLU 51 1HB GLU 51 21.995 -0.866 7.925 306 HB3 GLU 51 2HB GLU 51 21.821 -1.580 9.547 307 HG2 GLU 51 1HG GLU 51 21.260 -3.784 8.208 308 HG3 GLU 51 2HG GLU 51 22.069 -2.933 6.874 309 HE2 GLU 51 HE2 GLU 51 23.971 -1.783 7.850 310 H GLN 52 H GLN 52 19.878 0.879 7.430 311 HA GLN 52 HA GLN 52 19.252 2.118 10.016 312 HB2 GLN 52 1HB GLN 52 19.481 4.224 8.850 313 HB3 GLN 52 2HB GLN 52 20.864 3.177 8.460 314 HG2 GLN 52 1HG GLN 52 19.735 2.535 6.338 315 HG3 GLN 52 2HG GLN 52 18.480 3.698 6.690 316 HE21 GLN 52 2HE2 GLN 52 20.973 3.361 4.688 317 HE22 GLN 52 1HE2 GLN 52 21.614 4.976 4.673 318 H GLY 53 H GLY 53 17.470 0.527 7.750 319 HA2 GLY 53 1HA GLY 53 15.226 2.409 7.596 320 HA3 GLY 53 2HA GLY 53 15.400 0.871 6.733 321 H PHE 54 H PHE 54 16.086 -0.606 9.287 322 HA PHE 54 HA PHE 54 13.389 -0.467 10.565 323 HB2 PHE 54 1HB PHE 54 14.653 -3.122 9.871 324 HB3 PHE 54 2HB PHE 54 12.993 -2.795 10.397 325 HD1 PHE 54 HD2 PHE 54 11.415 -1.680 8.735 326 HD2 PHE 54 HD1 PHE 54 15.313 -3.037 7.621 327 HE1 PHE 54 HE2 PHE 54 10.732 -1.562 6.347 328 HE2 PHE 54 HE1 PHE 54 14.679 -2.936 5.223 329 HZ PHE 54 HZ PHE 54 12.346 -2.246 4.564 330 H PHE 55 H PHE 55 13.912 0.172 12.480 331 HA PHE 55 HA PHE 55 16.294 -0.555 13.897 332 HB2 PHE 55 1HB PHE 55 13.727 0.852 14.667 333 HB3 PHE 55 2HB PHE 55 15.007 0.488 15.825 334 HD1 PHE 55 HD1 PHE 55 17.161 1.605 15.779 335 HD2 PHE 55 HD2 PHE 55 14.114 2.507 12.894 336 HE1 PHE 55 HE1 PHE 55 18.399 3.666 15.147 337 HE2 PHE 55 HE2 PHE 55 15.308 4.565 12.259 338 HZ PHE 55 HZ PHE 55 17.440 5.216 13.421 339 H TYR 56 H TYR 56 16.604 -2.200 15.325 340 HA TYR 56 HA TYR 56 14.252 -3.690 16.384 341 HB2 TYR 56 1HB TYR 56 14.819 -4.776 14.257 342 HB3 TYR 56 2HB TYR 56 16.509 -4.916 14.749 343 HD1 TYR 56 HD1 TYR 56 13.172 -5.700 16.389 344 HD2 TYR 56 HD2 TYR 56 17.076 -7.156 15.238 345 HE1 TYR 56 HE1 TYR 56 12.676 -7.963 17.455 346 HE2 TYR 56 HE2 TYR 56 16.552 -9.356 16.254 347 HH TYR 56 HH TYR 56 15.051 -10.641 17.414 348 H THR 57 H THR 57 14.736 -4.597 18.449 349 HA THR 57 HA THR 57 17.580 -4.359 19.388 350 HB THR 57 HB THR 57 16.131 -3.981 21.693 351 HG1 THR 57 HG1 THR 57 14.372 -2.647 21.168 352 HG21 THR 57 1HG2 THR 57 16.544 -1.574 21.457 353 HG22 THR 57 2HG2 THR 57 16.790 -1.753 19.705 354 HG23 THR 57 3HG2 THR 57 17.937 -2.506 20.843 355 HA PRO 58 HA PRO 58 15.979 -8.572 20.100 356 HB2 PRO 58 1HB PRO 58 18.353 -9.915 19.774 357 HB3 PRO 58 2HB PRO 58 17.343 -9.444 18.362 358 HG2 PRO 58 1HG PRO 58 19.752 -8.062 19.489 359 HG3 PRO 58 2HG PRO 58 19.307 -8.410 17.785 360 HD2 PRO 58 1HD PRO 58 18.945 -5.997 18.933 361 HD3 PRO 58 2HD PRO 58 17.840 -6.659 17.688 362 H LYS 59 H LYS 59 15.560 -8.543 22.266 363 HA LYS 59 HA LYS 59 17.863 -8.858 24.118 364 HB2 LYS 59 1HB LYS 59 15.492 -7.000 24.481 365 HB3 LYS 59 2HB LYS 59 16.619 -7.393 25.724 366 HG2 LYS 59 1HG LYS 59 18.449 -6.422 24.261 367 HG3 LYS 59 2HG LYS 59 17.195 -5.937 23.137 368 HD2 LYS 59 1HD LYS 59 17.689 -4.043 24.467 369 HD3 LYS 59 2HD LYS 59 16.114 -4.640 24.975 370 HE2 LYS 59 1HE LYS 59 17.427 -4.016 26.957 371 HE3 LYS 59 2HE LYS 59 17.176 -5.791 26.922 372 HZ1 LYS 59 3HZ LYS 59 19.448 -5.279 27.460 373 HZ2 LYS 59 1HZ LYS 59 19.629 -4.319 26.155 374 HZ3 LYS 59 2HZ LYS 59 19.425 -5.954 25.983 375 H THR 60 H THR 60 17.426 -11.056 24.395 376 HA THR 60 HA THR 60 14.757 -12.049 24.942 377 HB THR 60 HB THR 60 17.378 -13.473 25.628 378 HG1 THR 60 HG1 THR 60 16.793 -14.278 23.289 379 HG21 THR 60 1HG2 THR 60 16.128 -15.485 25.136 380 HG22 THR 60 2HG2 THR 60 14.768 -14.623 24.450 381 HG23 THR 60 3HG2 THR 60 15.062 -14.535 26.208 382 HXT THR 60 H02 THR 60 16.511 -11.418 28.348 Start of MODEL 6 1 H1 GLY 1 2H0 GLY 1 1.745 1.027 0.910 2 H2 GLY 1 1H0 GLY 1 1.244 2.173 -0.197 3 HA2 GLY 1 1HA GLY 1 3.340 2.287 -1.226 4 HA3 GLY 1 2HA GLY 1 3.697 2.123 0.531 5 H ILE 2 H ILE 2 5.545 0.885 0.494 6 HA ILE 2 HA ILE 2 6.349 -1.058 -1.397 7 HB ILE 2 HB ILE 2 7.978 -0.307 0.135 8 HG12 ILE 2 1HG1 ILE 2 7.578 -3.278 0.792 9 HG13 ILE 2 2HG1 ILE 2 8.207 -2.647 -0.744 10 HG21 ILE 2 1HG2 ILE 2 6.568 -1.765 2.475 11 HG22 ILE 2 2HG2 ILE 2 7.936 -0.668 2.549 12 HG23 ILE 2 3HG2 ILE 2 6.381 -0.057 2.185 13 HD11 ILE 2 3HD1 ILE 2 9.457 -2.456 2.003 14 HD12 ILE 2 1HD1 ILE 2 10.097 -3.272 0.546 15 HD13 ILE 2 2HD1 ILE 2 10.021 -1.491 0.576 16 H VAL 3 H VAL 3 4.286 -1.707 1.441 17 HA VAL 3 HA VAL 3 4.417 -4.540 1.120 18 HB VAL 3 HB VAL 3 2.137 -2.902 2.396 19 HG11 VAL 3 1HG1 VAL 3 1.426 -5.168 1.831 20 HG12 VAL 3 2HG1 VAL 3 2.834 -5.846 2.749 21 HG13 VAL 3 3HG1 VAL 3 1.552 -4.933 3.577 22 HG21 VAL 3 3HG2 VAL 3 4.772 -4.021 3.474 23 HG22 VAL 3 1HG2 VAL 3 4.083 -2.387 3.622 24 HG23 VAL 3 2HG2 VAL 3 3.360 -3.717 4.545 25 H GLU 4 H GLU 4 2.093 -2.152 -0.164 26 HA GLU 4 HA GLU 4 0.407 -3.903 -1.482 27 HB2 GLU 4 1HB GLU 4 0.954 -0.978 -1.995 28 HB3 GLU 4 2HB GLU 4 -0.293 -1.924 -2.846 29 HG2 GLU 4 1HG GLU 4 -1.311 -2.511 -0.623 30 HG3 GLU 4 2HG GLU 4 -0.100 -1.466 0.163 31 HE2 GLU 4 HE2 GLU 4 -2.442 -0.991 0.601 32 H GLN 5 H GLN 5 3.277 -2.182 -2.596 33 HA GLN 5 HA GLN 5 2.945 -3.107 -5.310 34 HB2 GLN 5 1HB GLN 5 5.356 -1.897 -3.778 35 HB3 GLN 5 2HB GLN 5 5.352 -2.196 -5.512 36 HG2 GLN 5 1HG GLN 5 3.533 -0.606 -5.834 37 HG3 GLN 5 2HG GLN 5 3.474 -0.309 -4.092 38 HE21 GLN 5 2HE2 GLN 5 6.011 -0.426 -6.723 39 HE22 GLN 5 1HE2 GLN 5 6.831 1.051 -6.222 40 H CYS 6 H CYS 6 4.837 -4.309 -2.497 41 HA CYS 6 HA CYS 6 6.320 -6.065 -4.243 42 HB2 CYS 6 1HB CYS 6 7.091 -4.750 -2.069 43 HB3 CYS 6 2HB CYS 6 6.617 -6.273 -1.315 44 H CYS 7 H CYS 7 3.909 -6.470 -1.567 45 HA CYS 7 HA CYS 7 4.064 -9.343 -1.609 46 HB2 CYS 7 1HB CYS 7 1.750 -7.567 -0.714 47 HB3 CYS 7 2HB CYS 7 1.986 -9.274 -0.391 48 H THR 8 H THR 8 2.665 -7.277 -4.023 49 HA THR 8 HA THR 8 0.882 -9.391 -5.000 50 HB THR 8 HB THR 8 0.588 -7.679 -6.855 51 HG1 THR 8 HG1 THR 8 1.455 -5.578 -5.528 52 HG21 THR 8 1HG2 THR 8 -0.925 -7.845 -4.839 53 HG22 THR 8 2HG2 THR 8 -0.794 -6.180 -5.419 54 HG23 THR 8 3HG2 THR 8 0.069 -6.669 -3.997 55 H SER 9 H SER 9 4.065 -9.115 -4.865 56 HA SER 9 HA SER 9 4.615 -10.140 -7.611 57 HB2 SER 9 1HB SER 9 6.197 -8.033 -6.004 58 HB3 SER 9 2HB SER 9 6.654 -8.722 -7.629 59 HG SER 9 HG SER 9 4.156 -7.457 -7.204 60 H ILE 10 H ILE 10 7.116 -10.957 -7.473 61 HA ILE 10 HA ILE 10 7.265 -13.005 -5.437 62 HB ILE 10 HB ILE 10 9.368 -12.134 -7.472 63 HG12 ILE 10 1HG1 ILE 10 7.232 -13.069 -8.414 64 HG13 ILE 10 2HG1 ILE 10 8.698 -13.977 -8.822 65 HG21 ILE 10 1HG2 ILE 10 9.215 -14.521 -5.602 66 HG22 ILE 10 2HG2 ILE 10 10.266 -14.477 -7.061 67 HG23 ILE 10 3HG2 ILE 10 10.537 -13.298 -5.763 68 HD11 ILE 10 3HD1 ILE 10 6.657 -15.424 -8.284 69 HD12 ILE 10 1HD1 ILE 10 8.095 -15.825 -7.338 70 HD13 ILE 10 2HD1 ILE 10 6.786 -14.881 -6.579 71 H CYS 11 H CYS 11 8.663 -9.817 -5.843 72 HA CYS 11 HA CYS 11 10.049 -8.474 -4.597 73 HB2 CYS 11 1HB CYS 11 9.574 -10.331 -2.268 74 HB3 CYS 11 2HB CYS 11 10.423 -8.804 -2.191 75 H SER 12 H SER 12 11.298 -10.405 -6.275 76 HA SER 12 HA SER 12 13.536 -11.676 -5.046 77 HB2 SER 12 1HB SER 12 13.145 -10.377 -7.837 78 HB3 SER 12 2HB SER 12 14.441 -11.537 -7.369 79 HG SER 12 HG SER 12 12.915 -13.115 -7.196 80 H LEU 13 H LEU 13 15.789 -10.845 -5.059 81 HA LEU 13 HA LEU 13 15.976 -8.333 -3.793 82 HB2 LEU 13 1HB LEU 13 18.201 -8.658 -3.559 83 HB3 LEU 13 2HB LEU 13 17.544 -10.278 -3.602 84 HG LEU 13 HG LEU 13 18.178 -9.908 -6.294 85 HD11 LEU 13 1HD1 LEU 13 20.370 -8.927 -6.423 86 HD12 LEU 13 2HD1 LEU 13 20.356 -8.564 -4.670 87 HD13 LEU 13 3HD1 LEU 13 19.231 -7.753 -5.777 88 HD21 LEU 13 3HD2 LEU 13 20.022 -10.989 -4.160 89 HD22 LEU 13 1HD2 LEU 13 20.117 -11.317 -5.902 90 HD23 LEU 13 2HD2 LEU 13 18.693 -11.847 -4.994 91 H TYR 14 H TYR 14 16.152 -9.069 -7.158 92 HA TYR 14 HA TYR 14 17.436 -6.738 -8.127 93 HB2 TYR 14 1HB TYR 14 16.694 -8.558 -9.587 94 HB3 TYR 14 2HB TYR 14 15.029 -8.303 -9.110 95 HD1 TYR 14 HD2 TYR 14 17.903 -6.528 -10.711 96 HD2 TYR 14 HD1 TYR 14 13.620 -6.854 -10.424 97 HE1 TYR 14 HE2 TYR 14 17.649 -4.957 -12.631 98 HE2 TYR 14 HE1 TYR 14 13.391 -5.215 -12.307 99 HH TYR 14 HH TYR 14 16.279 -3.856 -13.896 100 H GLN 15 H GLN 15 14.039 -7.315 -7.145 101 HA GLN 15 HA GLN 15 13.134 -4.559 -7.661 102 HB2 GLN 15 1HB GLN 15 11.750 -6.731 -7.789 103 HB3 GLN 15 2HB GLN 15 11.843 -6.792 -6.058 104 HG2 GLN 15 1HG GLN 15 9.704 -5.683 -6.555 105 HG3 GLN 15 2HG GLN 15 10.749 -4.434 -5.933 106 HE21 GLN 15 2HE2 GLN 15 10.461 -2.583 -6.902 107 HE22 GLN 15 1HE2 GLN 15 10.275 -2.378 -8.627 108 H LEU 16 H LEU 16 13.957 -6.568 -4.853 109 HA LEU 16 HA LEU 16 12.972 -4.822 -2.872 110 HB2 LEU 16 1HB LEU 16 13.632 -7.325 -2.779 111 HB3 LEU 16 2HB LEU 16 15.303 -6.740 -2.588 112 HG LEU 16 HG LEU 16 14.610 -5.489 -0.544 113 HD11 LEU 16 1HD1 LEU 16 12.440 -6.042 0.563 114 HD12 LEU 16 2HD1 LEU 16 11.962 -6.950 -0.889 115 HD13 LEU 16 3HD1 LEU 16 12.170 -5.164 -0.955 116 HD21 LEU 16 3HD2 LEU 16 14.073 -8.456 -0.714 117 HD22 LEU 16 1HD2 LEU 16 14.275 -7.553 0.813 118 HD23 LEU 16 2HD2 LEU 16 15.621 -7.664 -0.349 119 H GLU 17 H GLU 17 16.125 -4.929 -4.461 120 HA GLU 17 HA GLU 17 17.486 -3.133 -2.727 121 HB2 GLU 17 1HB GLU 17 17.720 -4.044 -5.601 122 HB3 GLU 17 2HB GLU 17 18.739 -2.724 -5.040 123 HG2 GLU 17 1HG GLU 17 19.661 -4.033 -3.305 124 HG3 GLU 17 2HG GLU 17 18.657 -5.449 -3.792 125 HE2 GLU 17 HE2 GLU 17 21.966 -5.550 -5.337 126 H ASN 18 H ASN 18 15.029 -2.641 -5.348 127 HA ASN 18 HA ASN 18 15.666 0.132 -5.822 128 HB2 ASN 18 1HB ASN 18 14.125 -1.346 -7.169 129 HB3 ASN 18 2HB ASN 18 12.859 -0.984 -5.974 130 HD21 ASN 18 2HD2 ASN 18 11.478 0.344 -7.052 131 HD22 ASN 18 1HD2 ASN 18 12.000 1.812 -7.891 132 H TYR 19 H TYR 19 14.133 -1.446 -3.072 133 HA TYR 19 HA TYR 19 12.877 1.088 -2.146 134 HB2 TYR 19 1HB TYR 19 13.237 -1.616 -0.807 135 HB3 TYR 19 2HB TYR 19 12.312 -0.270 -0.154 136 HD1 TYR 19 HD1 TYR 19 10.324 0.655 -1.572 137 HD2 TYR 19 HD2 TYR 19 12.213 -3.167 -2.271 138 HE1 TYR 19 HE1 TYR 19 8.316 -0.093 -2.821 139 HE2 TYR 19 HE2 TYR 19 10.168 -3.936 -3.618 140 HH TYR 19 HH TYR 19 7.998 -3.427 -4.195 141 H CYS 20 H CYS 20 16.040 0.028 -2.319 142 HA CYS 20 HA CYS 20 16.802 1.127 0.301 143 HB2 CYS 20 1HB CYS 20 17.808 -1.002 -0.530 144 HB3 CYS 20 2HB CYS 20 18.632 -0.126 -1.846 145 H ASN 21 H ASN 21 16.173 2.051 -2.830 146 HA ASN 21 HA ASN 21 18.357 3.812 -3.397 147 HB2 ASN 21 1HB ASN 21 16.632 3.024 -5.120 148 HB3 ASN 21 2HB ASN 21 15.449 4.118 -4.350 149 HD21 ASN 21 2HD2 ASN 21 15.225 5.673 -5.895 150 HD22 ASN 21 1HD2 ASN 21 16.590 6.530 -6.625 151 HXT ASN 21 H02 ASN 21 15.567 4.319 -1.614 152 H1 PHE 31 2H0 PHE 31 20.347 -15.782 0.257 153 H2 PHE 31 1H0 PHE 31 20.715 -15.369 -1.366 154 HA PHE 31 HA PHE 31 18.439 -14.439 0.263 155 HB2 PHE 31 1HB PHE 31 19.603 -12.631 -1.159 156 HB3 PHE 31 2HB PHE 31 19.272 -13.625 -2.536 157 HD1 PHE 31 HD2 PHE 31 16.807 -13.718 -3.322 158 HD2 PHE 31 HD1 PHE 31 18.047 -11.388 -0.012 159 HE1 PHE 31 HE2 PHE 31 14.630 -12.533 -3.420 160 HE2 PHE 31 HE1 PHE 31 15.859 -10.146 -0.085 161 HZ PHE 31 HZ PHE 31 14.125 -10.723 -1.740 162 H VAL 32 H VAL 32 16.376 -15.208 -0.516 163 HA VAL 32 HA VAL 32 16.610 -17.522 -2.437 164 HB VAL 32 HB VAL 32 14.838 -18.617 -1.124 165 HG11 VAL 32 1HG1 VAL 32 17.453 -18.982 -0.874 166 HG12 VAL 32 2HG1 VAL 32 17.225 -18.265 0.719 167 HG13 VAL 32 3HG1 VAL 32 16.380 -19.742 0.293 168 HG21 VAL 32 3HG2 VAL 32 15.471 -16.611 1.105 169 HG22 VAL 32 1HG2 VAL 32 13.957 -16.717 0.204 170 HG23 VAL 32 2HG2 VAL 32 14.443 -18.010 1.249 171 H ASN 33 H ASN 33 14.754 -17.819 -3.725 172 HA ASN 33 HA ASN 33 13.267 -15.301 -4.092 173 HB2 ASN 33 1HB ASN 33 14.040 -17.579 -5.903 174 HB3 ASN 33 2HB ASN 33 12.705 -16.539 -6.367 175 HD21 ASN 33 2HD2 ASN 33 16.060 -16.939 -6.439 176 HD22 ASN 33 1HD2 ASN 33 16.488 -15.319 -7.018 177 H GLN 34 H GLN 34 11.323 -15.396 -3.023 178 HA GLN 34 HA GLN 34 9.342 -17.383 -3.753 179 HB2 GLN 34 1HB GLN 34 8.832 -18.092 -1.403 180 HB3 GLN 34 2HB GLN 34 10.424 -18.683 -1.847 181 HG2 GLN 34 1HG GLN 34 11.517 -16.930 -0.638 182 HG3 GLN 34 2HG GLN 34 9.994 -16.183 -0.222 183 HE21 GLN 34 2HE2 GLN 34 12.054 -18.937 0.423 184 HE22 GLN 34 1HE2 GLN 34 11.324 -19.366 1.935 185 H HIS 35 H HIS 35 7.240 -16.452 -2.524 186 HA HIS 35 HA HIS 35 7.306 -13.562 -2.764 187 HB2 HIS 35 1HB HIS 35 5.244 -15.447 -1.525 188 HB3 HIS 35 2HB HIS 35 5.035 -13.688 -1.776 189 HD1 HIS 35 HD1 HIS 35 4.842 -12.925 -4.324 190 HD2 HIS 35 HD2 HIS 35 4.736 -17.061 -3.725 191 HE1 HIS 35 HE1 HIS 35 3.968 -13.902 -6.425 192 HE2 HIS 35 HE2 HIS 35 3.820 -16.424 -6.077 193 H LEU 36 H LEU 36 7.348 -11.973 -1.283 194 HA LEU 36 HA LEU 36 7.807 -12.800 1.569 195 HB2 LEU 36 1HB LEU 36 9.123 -10.647 -0.051 196 HB3 LEU 36 2HB LEU 36 9.350 -10.892 1.658 197 HG LEU 36 HG LEU 36 10.112 -12.902 -0.403 198 HD11 LEU 36 1HD1 LEU 36 12.390 -12.030 -0.177 199 HD12 LEU 36 2HD1 LEU 36 11.773 -10.740 0.906 200 HD13 LEU 36 3HD1 LEU 36 11.238 -10.799 -0.807 201 HD21 LEU 36 3HD2 LEU 36 11.581 -13.790 1.419 202 HD22 LEU 36 1HD2 LEU 36 9.857 -13.854 1.858 203 HD23 LEU 36 2HD2 LEU 36 10.923 -12.560 2.537 204 H CYS 37 H CYS 37 6.399 -11.846 2.973 205 HA CYS 37 HA CYS 37 5.496 -9.106 2.358 206 HB2 CYS 37 1HB CYS 37 3.886 -10.832 1.301 207 HB3 CYS 37 2HB CYS 37 3.400 -11.287 2.952 208 H GLY 38 H GLY 38 4.165 -8.371 4.372 209 HA2 GLY 38 1HA GLY 38 4.007 -8.161 6.663 210 HA3 GLY 38 2HA GLY 38 4.291 -9.891 6.713 211 H SER 39 H SER 39 5.592 -9.932 8.540 212 HA SER 39 HA SER 39 7.770 -8.145 8.860 213 HB2 SER 39 1HB SER 39 6.879 -9.470 10.757 214 HB3 SER 39 2HB SER 39 7.455 -10.958 9.932 215 HG SER 39 HG SER 39 8.969 -10.270 11.531 216 H HIS 40 H HIS 40 7.586 -11.167 7.018 217 HA HIS 40 HA HIS 40 10.393 -11.756 6.840 218 HB2 HIS 40 1HB HIS 40 8.017 -12.423 5.098 219 HB3 HIS 40 2HB HIS 40 9.641 -12.934 4.634 220 HD1 HIS 40 HD1 HIS 40 7.917 -15.277 4.929 221 HD2 HIS 40 HD2 HIS 40 9.715 -13.451 8.273 222 HE1 HIS 40 HE1 HIS 40 7.976 -17.009 6.790 223 HE2 HIS 40 HE2 HIS 40 9.029 -15.927 8.839 224 H LEU 41 H LEU 41 8.286 -9.482 5.114 225 HA LEU 41 HA LEU 41 9.971 -9.134 2.813 226 HB2 LEU 41 1HB LEU 41 7.543 -8.517 2.991 227 HB3 LEU 41 2HB LEU 41 7.958 -7.255 4.134 228 HG LEU 41 HG LEU 41 9.113 -5.986 2.456 229 HD11 LEU 41 1HD1 LEU 41 9.135 -6.547 0.092 230 HD12 LEU 41 2HD1 LEU 41 8.471 -8.133 0.484 231 HD13 LEU 41 3HD1 LEU 41 10.081 -7.688 1.022 232 HD21 LEU 41 3HD2 LEU 41 6.415 -6.999 1.425 233 HD22 LEU 41 1HD2 LEU 41 7.145 -5.411 1.049 234 HD23 LEU 41 2HD2 LEU 41 6.618 -5.811 2.703 235 H VAL 42 H VAL 42 9.680 -7.337 5.896 236 HA VAL 42 HA VAL 42 11.730 -5.456 5.146 237 HB VAL 42 HB VAL 42 11.460 -4.628 7.488 238 HG11 VAL 42 1HG1 VAL 42 9.215 -4.668 5.441 239 HG12 VAL 42 2HG1 VAL 42 9.160 -3.632 6.880 240 HG13 VAL 42 3HG1 VAL 42 10.437 -3.416 5.700 241 HG21 VAL 42 3HG2 VAL 42 10.392 -6.791 8.400 242 HG22 VAL 42 1HG2 VAL 42 9.500 -5.283 8.764 243 HG23 VAL 42 2HG2 VAL 42 8.929 -6.357 7.489 244 H GLU 43 H GLU 43 11.445 -8.482 6.773 245 HA GLU 43 HA GLU 43 13.986 -8.400 8.114 246 HB2 GLU 43 1HB GLU 43 12.198 -10.152 8.468 247 HB3 GLU 43 2HB GLU 43 12.538 -10.827 6.896 248 HG2 GLU 43 1HG GLU 43 14.838 -11.372 7.595 249 HG3 GLU 43 2HG GLU 43 14.504 -10.686 9.206 250 HE2 GLU 43 HE2 GLU 43 14.095 -14.156 9.574 251 H ALA 44 H ALA 44 12.986 -9.421 4.745 252 HA ALA 44 HA ALA 44 15.617 -10.290 4.088 253 HB1 ALA 44 3HB ALA 44 14.764 -10.617 1.873 254 HB2 ALA 44 1HB ALA 44 13.431 -11.028 2.961 255 HB3 ALA 44 2HB ALA 44 13.422 -9.446 2.127 256 H LEU 45 H LEU 45 13.757 -7.312 3.744 257 HA LEU 45 HA LEU 45 15.546 -5.759 2.158 258 HB2 LEU 45 1HB LEU 45 13.155 -5.407 3.415 259 HB3 LEU 45 2HB LEU 45 14.195 -4.376 4.355 260 HG LEU 45 HG LEU 45 13.567 -4.193 1.437 261 HD11 LEU 45 1HD1 LEU 45 13.078 -2.458 3.873 262 HD12 LEU 45 2HD1 LEU 45 11.877 -3.244 2.818 263 HD13 LEU 45 3HD1 LEU 45 12.814 -1.866 2.235 264 HD21 LEU 45 3HD2 LEU 45 14.853 -2.129 1.377 265 HD22 LEU 45 1HD2 LEU 45 15.713 -3.693 1.246 266 HD23 LEU 45 2HD2 LEU 45 15.713 -2.798 2.802 267 H TYR 46 H TYR 46 15.355 -6.389 5.669 268 HA TYR 46 HA TYR 46 17.463 -4.582 6.305 269 HB2 TYR 46 1HB TYR 46 15.844 -5.439 7.984 270 HB3 TYR 46 2HB TYR 46 16.522 -7.082 7.772 271 HD1 TYR 46 HD1 TYR 46 17.125 -3.666 9.074 272 HD2 TYR 46 HD2 TYR 46 18.706 -7.684 8.729 273 HE1 TYR 46 HE1 TYR 46 18.816 -3.144 10.862 274 HE2 TYR 46 HE2 TYR 46 20.390 -7.187 10.459 275 HH TYR 46 HH TYR 46 21.255 -5.709 11.885 276 H LEU 47 H LEU 47 17.398 -8.083 5.468 277 HA LEU 47 HA LEU 47 20.201 -8.539 5.956 278 HB2 LEU 47 1HB LEU 47 18.209 -9.980 4.187 279 HB3 LEU 47 2HB LEU 47 19.856 -10.526 4.381 280 HG LEU 47 HG LEU 47 17.855 -10.258 6.631 281 HD11 LEU 47 1HD1 LEU 47 18.630 -12.696 4.962 282 HD12 LEU 47 2HD1 LEU 47 17.087 -11.873 4.910 283 HD13 LEU 47 3HD1 LEU 47 17.558 -12.717 6.410 284 HD21 LEU 47 3HD2 LEU 47 19.381 -11.764 7.867 285 HD22 LEU 47 1HD2 LEU 47 20.225 -10.270 7.359 286 HD23 LEU 47 2HD2 LEU 47 20.498 -11.758 6.459 287 H VAL 48 H VAL 48 18.457 -7.525 3.002 288 HA VAL 48 HA VAL 48 20.959 -7.603 1.468 289 HB VAL 48 HB VAL 48 18.647 -8.169 0.586 290 HG11 VAL 48 1HG1 VAL 48 17.222 -6.332 -0.235 291 HG12 VAL 48 2HG1 VAL 48 17.435 -6.168 1.487 292 HG13 VAL 48 3HG1 VAL 48 18.347 -5.143 0.416 293 HG21 VAL 48 3HG2 VAL 48 19.195 -7.514 -1.603 294 HG22 VAL 48 1HG2 VAL 48 19.993 -6.016 -1.068 295 HG23 VAL 48 2HG2 VAL 48 20.742 -7.636 -0.757 296 H CYS 49 H CYS 49 19.096 -4.966 3.096 297 HA CYS 49 HA CYS 49 21.377 -3.162 2.314 298 HB2 CYS 49 1HB CYS 49 18.845 -3.139 0.983 299 HB3 CYS 49 2HB CYS 49 18.872 -1.731 2.060 300 H GLY 50 H GLY 50 19.810 -4.274 5.009 301 HA2 GLY 50 1HA GLY 50 19.091 -1.665 6.173 302 HA3 GLY 50 2HA GLY 50 19.021 -3.266 6.966 303 H GLU 51 H GLU 51 21.473 -1.076 5.606 304 HA GLU 51 HA GLU 51 23.637 -1.879 7.337 305 HB2 GLU 51 1HB GLU 51 23.233 0.798 5.918 306 HB3 GLU 51 2HB GLU 51 24.757 0.102 6.492 307 HG2 GLU 51 1HG GLU 51 24.288 -1.844 4.857 308 HG3 GLU 51 2HG GLU 51 23.095 -0.775 4.079 309 HE2 GLU 51 HE2 GLU 51 23.829 1.057 3.274 310 H GLN 52 H GLN 52 21.048 0.564 7.800 311 HA GLN 52 HA GLN 52 22.312 1.097 10.490 312 HB2 GLN 52 1HB GLN 52 20.446 2.872 8.904 313 HB3 GLN 52 2HB GLN 52 21.029 3.205 10.554 314 HG2 GLN 52 1HG GLN 52 23.361 3.201 9.695 315 HG3 GLN 52 2HG GLN 52 22.731 2.960 8.045 316 HE21 GLN 52 2HE2 GLN 52 23.048 4.811 6.999 317 HE22 GLN 52 1HE2 GLN 52 22.533 6.366 7.632 318 H GLY 53 H GLY 53 19.745 -0.293 8.758 319 HA2 GLY 53 1HA GLY 53 17.832 -1.330 9.615 320 HA3 GLY 53 2HA GLY 53 18.070 -0.536 11.190 321 H PHE 54 H PHE 54 15.630 -0.650 9.663 322 HA PHE 54 HA PHE 54 15.413 2.080 8.439 323 HB2 PHE 54 1HB PHE 54 13.397 -0.244 8.535 324 HB3 PHE 54 2HB PHE 54 13.298 1.190 7.477 325 HD1 PHE 54 HD1 PHE 54 15.899 1.415 6.260 326 HD2 PHE 54 HD2 PHE 54 13.920 -2.175 7.429 327 HE1 PHE 54 HE1 PHE 54 17.321 0.212 4.734 328 HE2 PHE 54 HE2 PHE 54 15.352 -3.473 5.901 329 HZ PHE 54 HZ PHE 54 17.083 -2.274 4.487 330 H PHE 55 H PHE 55 13.957 0.124 11.029 331 HA PHE 55 HA PHE 55 13.313 2.543 12.444 332 HB2 PHE 55 1HB PHE 55 11.368 2.192 10.975 333 HB3 PHE 55 2HB PHE 55 10.997 0.706 11.855 334 HD1 PHE 55 HD2 PHE 55 11.266 4.396 12.137 335 HD2 PHE 55 HD1 PHE 55 9.948 0.814 14.079 336 HE1 PHE 55 HE2 PHE 55 10.054 5.775 13.888 337 HE2 PHE 55 HE1 PHE 55 8.658 2.140 15.759 338 HZ PHE 55 HZ PHE 55 8.726 4.630 15.624 339 H TYR 56 H TYR 56 14.384 2.007 14.210 340 HA TYR 56 HA TYR 56 12.976 0.094 16.010 341 HB2 TYR 56 1HB TYR 56 14.604 -1.479 15.085 342 HB3 TYR 56 2HB TYR 56 15.921 -0.258 15.289 343 HD1 TYR 56 HD2 TYR 56 13.355 -2.224 17.308 344 HD2 TYR 56 HD1 TYR 56 17.165 -0.230 17.234 345 HE1 TYR 56 HE2 TYR 56 13.769 -2.892 19.670 346 HE2 TYR 56 HE1 TYR 56 17.637 -1.021 19.600 347 HH TYR 56 HH TYR 56 15.150 -2.878 21.410 348 H THR 57 H THR 57 12.942 0.800 18.027 349 HA THR 57 HA THR 57 14.255 3.403 18.623 350 HB THR 57 HB THR 57 11.970 1.978 20.017 351 HG1 THR 57 HG1 THR 57 11.213 4.151 18.593 352 HG21 THR 57 1HG2 THR 57 13.171 4.731 20.217 353 HG22 THR 57 2HG2 THR 57 12.730 3.589 21.504 354 HG23 THR 57 3HG2 THR 57 11.492 4.484 20.600 355 HA PRO 58 HA PRO 58 16.461 0.509 21.382 356 HB2 PRO 58 1HB PRO 58 18.631 1.936 21.977 357 HB3 PRO 58 2HB PRO 58 18.455 1.125 20.369 358 HG2 PRO 58 1HG PRO 58 17.963 4.021 21.133 359 HG3 PRO 58 2HG PRO 58 18.905 3.356 19.730 360 HD2 PRO 58 1HD PRO 58 16.319 4.211 19.538 361 HD3 PRO 58 2HD PRO 58 16.907 2.886 18.525 362 H LYS 59 H LYS 59 16.971 0.527 23.621 363 HA LYS 59 HA LYS 59 15.802 2.745 25.208 364 HB2 LYS 59 1HB LYS 59 14.468 1.225 26.603 365 HB3 LYS 59 2HB LYS 59 13.989 1.126 24.924 366 HG2 LYS 59 1HG LYS 59 15.229 -1.038 24.731 367 HG3 LYS 59 2HG LYS 59 15.724 -0.949 26.432 368 HD2 LYS 59 1HD LYS 59 13.176 -0.871 26.988 369 HD3 LYS 59 2HD LYS 59 12.949 -1.326 25.284 370 HE2 LYS 59 1HE LYS 59 12.863 -3.345 26.623 371 HE3 LYS 59 2HE LYS 59 14.366 -3.359 25.691 372 HZ1 LYS 59 3HZ LYS 59 13.999 -2.677 28.531 373 HZ2 LYS 59 1HZ LYS 59 15.436 -2.554 27.744 374 HZ3 LYS 59 2HZ LYS 59 14.741 -4.000 27.938 375 H THR 60 H THR 60 18.450 1.628 24.598 376 HA THR 60 HA THR 60 19.587 -0.003 26.517 377 HB THR 60 HB THR 60 21.612 1.875 25.700 378 HG1 THR 60 HG1 THR 60 20.967 2.423 23.688 379 HG21 THR 60 1HG2 THR 60 21.860 -0.535 25.289 380 HG22 THR 60 2HG2 THR 60 21.858 0.206 23.665 381 HG23 THR 60 3HG2 THR 60 20.375 -0.620 24.299 382 HXT THR 60 H02 THR 60 20.089 1.912 29.258 Start of MODEL 7 1 H1 GLY 1 2H0 GLY 1 5.351 1.687 -2.661 2 H2 GLY 1 1H0 GLY 1 4.302 2.209 -1.514 3 HA2 GLY 1 1HA GLY 1 3.018 0.257 -1.531 4 HA3 GLY 1 2HA GLY 1 3.404 0.578 -3.235 5 H ILE 2 H ILE 2 5.958 -0.225 -1.308 6 HA ILE 2 HA ILE 2 6.807 -2.503 -2.756 7 HB ILE 2 HB ILE 2 8.211 -1.023 -1.265 8 HG12 ILE 2 1HG1 ILE 2 8.514 -4.017 -0.902 9 HG13 ILE 2 2HG1 ILE 2 9.049 -3.095 -2.305 10 HG21 ILE 2 1HG2 ILE 2 6.702 -1.170 0.765 11 HG22 ILE 2 2HG2 ILE 2 7.314 -2.822 1.026 12 HG23 ILE 2 3HG2 ILE 2 8.431 -1.442 1.119 13 HD11 ILE 2 3HD1 ILE 2 10.179 -3.041 0.507 14 HD12 ILE 2 1HD1 ILE 2 11.005 -3.452 -0.994 15 HD13 ILE 2 2HD1 ILE 2 10.523 -1.772 -0.674 16 H VAL 3 H VAL 3 4.679 -2.419 0.115 17 HA VAL 3 HA VAL 3 4.859 -5.206 0.669 18 HB VAL 3 HB VAL 3 2.500 -3.334 1.188 19 HG11 VAL 3 1HG1 VAL 3 1.940 -4.964 3.025 20 HG12 VAL 3 2HG1 VAL 3 1.822 -5.694 1.404 21 HG13 VAL 3 3HG1 VAL 3 3.218 -6.037 2.423 22 HG21 VAL 3 3HG2 VAL 3 4.898 -4.088 2.911 23 HG22 VAL 3 1HG2 VAL 3 4.568 -2.483 2.206 24 HG23 VAL 3 2HG2 VAL 3 3.494 -3.141 3.451 25 H GLU 4 H GLU 4 2.405 -3.388 -1.274 26 HA GLU 4 HA GLU 4 1.157 -5.852 -2.087 27 HB2 GLU 4 1HB GLU 4 -0.250 -4.541 -3.512 28 HB3 GLU 4 2HB GLU 4 -0.096 -3.758 -1.933 29 HG2 GLU 4 1HG GLU 4 1.567 -2.183 -2.934 30 HG3 GLU 4 2HG GLU 4 1.246 -2.895 -4.521 31 HE2 GLU 4 HE2 GLU 4 0.654 -0.951 -5.071 32 H GLN 5 H GLN 5 3.842 -3.966 -3.281 33 HA GLN 5 HA GLN 5 3.910 -5.067 -5.941 34 HB2 GLN 5 1HB GLN 5 5.168 -3.060 -5.132 35 HB3 GLN 5 2HB GLN 5 6.203 -4.125 -4.193 36 HG2 GLN 5 1HG GLN 5 6.997 -5.193 -6.272 37 HG3 GLN 5 2HG GLN 5 5.987 -4.088 -7.201 38 HE21 GLN 5 2HE2 GLN 5 8.597 -4.145 -4.752 39 HE22 GLN 5 1HE2 GLN 5 9.385 -2.705 -5.324 40 H CYS 6 H CYS 6 5.282 -6.154 -2.803 41 HA CYS 6 HA CYS 6 6.528 -8.452 -4.213 42 HB2 CYS 6 1HB CYS 6 7.349 -6.903 -2.145 43 HB3 CYS 6 2HB CYS 6 6.694 -8.327 -1.289 44 H CYS 7 H CYS 7 3.797 -7.873 -2.044 45 HA CYS 7 HA CYS 7 3.455 -10.699 -1.377 46 HB2 CYS 7 1HB CYS 7 2.846 -8.645 0.041 47 HB3 CYS 7 2HB CYS 7 1.433 -8.478 -0.988 48 H THR 8 H THR 8 3.481 -10.234 -4.190 49 HA THR 8 HA THR 8 0.730 -11.202 -4.876 50 HB THR 8 HB THR 8 1.342 -10.234 -7.246 51 HG1 THR 8 HG1 THR 8 2.680 -8.164 -6.128 52 HG21 THR 8 1HG2 THR 8 0.544 -7.959 -6.619 53 HG22 THR 8 2HG2 THR 8 0.667 -8.417 -4.893 54 HG23 THR 8 3HG2 THR 8 -0.459 -9.269 -5.972 55 H SER 9 H SER 9 3.890 -10.950 -6.601 56 HA SER 9 HA SER 9 4.041 -13.927 -6.545 57 HB2 SER 9 1HB SER 9 2.781 -13.157 -8.579 58 HB3 SER 9 2HB SER 9 4.259 -12.345 -9.127 59 HG SER 9 HG SER 9 5.262 -14.319 -9.284 60 H ILE 10 H ILE 10 5.646 -12.121 -5.107 61 HA ILE 10 HA ILE 10 7.787 -11.822 -4.472 62 HB ILE 10 HB ILE 10 8.701 -13.633 -6.747 63 HG12 ILE 10 1HG1 ILE 10 7.679 -14.279 -3.970 64 HG13 ILE 10 2HG1 ILE 10 7.117 -14.908 -5.515 65 HG21 ILE 10 1HG2 ILE 10 10.459 -12.222 -5.590 66 HG22 ILE 10 2HG2 ILE 10 10.029 -13.040 -4.066 67 HG23 ILE 10 3HG2 ILE 10 10.709 -13.956 -5.428 68 HD11 ILE 10 3HD1 ILE 10 9.372 -16.086 -5.759 69 HD12 ILE 10 1HD1 ILE 10 9.736 -15.595 -4.087 70 HD13 ILE 10 2HD1 ILE 10 8.362 -16.680 -4.422 71 H CYS 11 H CYS 11 8.336 -9.814 -4.687 72 HA CYS 11 HA CYS 11 8.698 -8.505 -7.231 73 HB2 CYS 11 1HB CYS 11 9.464 -6.608 -5.896 74 HB3 CYS 11 2HB CYS 11 7.949 -7.251 -5.276 75 H SER 12 H SER 12 10.632 -7.893 -8.232 76 HA SER 12 HA SER 12 12.762 -9.802 -7.951 77 HB2 SER 12 1HB SER 12 13.814 -8.552 -9.762 78 HB3 SER 12 2HB SER 12 12.093 -8.785 -10.103 79 HG SER 12 HG SER 12 12.738 -6.656 -10.532 80 H LEU 13 H LEU 13 14.908 -9.570 -7.384 81 HA LEU 13 HA LEU 13 15.512 -7.959 -5.153 82 HB2 LEU 13 1HB LEU 13 16.695 -10.030 -5.757 83 HB3 LEU 13 2HB LEU 13 17.352 -9.248 -7.195 84 HG LEU 13 HG LEU 13 18.669 -7.714 -5.772 85 HD11 LEU 13 1HD1 LEU 13 18.901 -8.205 -3.336 86 HD12 LEU 13 2HD1 LEU 13 17.530 -9.325 -3.457 87 HD13 LEU 13 3HD1 LEU 13 17.285 -7.602 -3.756 88 HD21 LEU 13 3HD2 LEU 13 19.055 -10.664 -5.118 89 HD22 LEU 13 1HD2 LEU 13 20.292 -9.381 -4.996 90 HD23 LEU 13 2HD2 LEU 13 19.633 -9.808 -6.584 91 H TYR 14 H TYR 14 15.975 -7.430 -8.605 92 HA TYR 14 HA TYR 14 17.732 -5.267 -8.530 93 HB2 TYR 14 1HB TYR 14 16.913 -6.587 -10.533 94 HB3 TYR 14 2HB TYR 14 15.424 -5.631 -10.473 95 HD1 TYR 14 HD2 TYR 14 19.077 -5.496 -11.146 96 HD2 TYR 14 HD1 TYR 14 15.377 -3.300 -11.235 97 HE1 TYR 14 HE2 TYR 14 20.147 -3.720 -12.543 98 HE2 TYR 14 HE1 TYR 14 16.459 -1.539 -12.629 99 HH TYR 14 HH TYR 14 19.891 -1.722 -13.604 100 H GLN 15 H GLN 15 14.138 -5.272 -8.312 101 HA GLN 15 HA GLN 15 14.041 -2.383 -8.079 102 HB2 GLN 15 1HB GLN 15 12.220 -3.926 -9.018 103 HB3 GLN 15 2HB GLN 15 11.853 -4.335 -7.351 104 HG2 GLN 15 1HG GLN 15 10.318 -2.669 -7.817 105 HG3 GLN 15 2HG GLN 15 11.594 -1.761 -7.004 106 HE21 GLN 15 2HE2 GLN 15 9.500 -1.512 -9.418 107 HE22 GLN 15 1HE2 GLN 15 10.400 -0.527 -10.532 108 H LEU 16 H LEU 16 13.945 -5.200 -5.914 109 HA LEU 16 HA LEU 16 13.178 -3.842 -3.538 110 HB2 LEU 16 1HB LEU 16 13.303 -6.303 -3.933 111 HB3 LEU 16 2HB LEU 16 15.049 -6.214 -3.792 112 HG LEU 16 HG LEU 16 13.691 -4.996 -1.514 113 HD11 LEU 16 1HD1 LEU 16 12.966 -7.128 -0.496 114 HD12 LEU 16 2HD1 LEU 16 13.282 -7.960 -2.043 115 HD13 LEU 16 3HD1 LEU 16 12.031 -6.718 -1.947 116 HD21 LEU 16 3HD2 LEU 16 15.279 -6.443 -0.264 117 HD22 LEU 16 1HD2 LEU 16 16.097 -5.503 -1.528 118 HD23 LEU 16 2HD2 LEU 16 15.740 -7.225 -1.785 119 H GLU 17 H GLU 17 16.412 -4.277 -4.995 120 HA GLU 17 HA GLU 17 17.916 -3.176 -2.823 121 HB2 GLU 17 1HB GLU 17 18.419 -3.421 -5.789 122 HB3 GLU 17 2HB GLU 17 19.591 -2.709 -4.685 123 HG2 GLU 17 1HG GLU 17 19.830 -4.735 -3.482 124 HG3 GLU 17 2HG GLU 17 18.474 -5.491 -4.322 125 HE2 GLU 17 HE2 GLU 17 21.882 -6.140 -5.711 126 H ASN 18 H ASN 18 15.875 -1.643 -5.257 127 HA ASN 18 HA ASN 18 17.251 0.914 -5.217 128 HB2 ASN 18 1HB ASN 18 15.583 0.116 -6.967 129 HB3 ASN 18 2HB ASN 18 14.305 0.413 -5.768 130 HD21 ASN 18 2HD2 ASN 18 13.254 2.217 -6.313 131 HD22 ASN 18 1HD2 ASN 18 14.018 3.704 -6.804 132 H TYR 19 H TYR 19 15.182 -0.750 -2.959 133 HA TYR 19 HA TYR 19 14.326 1.759 -1.629 134 HB2 TYR 19 1HB TYR 19 13.987 -1.150 -0.901 135 HB3 TYR 19 2HB TYR 19 13.292 0.199 -0.003 136 HD1 TYR 19 HD1 TYR 19 11.467 1.573 -1.022 137 HD2 TYR 19 HD2 TYR 19 12.994 -1.907 -3.004 138 HE1 TYR 19 HE1 TYR 19 9.460 1.513 -2.458 139 HE2 TYR 19 HE2 TYR 19 10.991 -1.985 -4.450 140 HH TYR 19 HH TYR 19 8.404 0.466 -4.242 141 H CYS 20 H CYS 20 17.255 0.132 -1.771 142 HA CYS 20 HA CYS 20 17.921 0.130 1.079 143 HB2 CYS 20 1HB CYS 20 19.722 0.317 -1.366 144 HB3 CYS 20 2HB CYS 20 20.242 0.053 0.303 145 H ASN 21 H ASN 21 17.342 2.558 -1.185 146 HA ASN 21 HA ASN 21 19.263 4.553 -0.407 147 HB2 ASN 21 1HB ASN 21 17.989 6.059 -1.754 148 HB3 ASN 21 2HB ASN 21 17.816 4.499 -2.557 149 HD21 ASN 21 2HD2 ASN 21 16.142 7.069 -2.210 150 HD22 ASN 21 1HD2 ASN 21 14.571 6.456 -1.814 151 HXT ASN 21 H02 ASN 21 16.621 3.547 0.995 152 H1 PHE 31 2H0 PHE 31 17.068 -13.591 -8.729 153 H2 PHE 31 1H0 PHE 31 15.568 -14.287 -8.867 154 HA PHE 31 HA PHE 31 16.964 -14.994 -6.878 155 HB2 PHE 31 1HB PHE 31 17.607 -12.580 -6.540 156 HB3 PHE 31 2HB PHE 31 15.949 -12.246 -6.035 157 HD1 PHE 31 HD2 PHE 31 17.807 -15.335 -4.867 158 HD2 PHE 31 HD1 PHE 31 16.603 -11.296 -3.953 159 HE1 PHE 31 HE2 PHE 31 18.407 -15.677 -2.506 160 HE2 PHE 31 HE1 PHE 31 17.249 -11.639 -1.594 161 HZ PHE 31 HZ PHE 31 18.137 -13.849 -0.879 162 H VAL 32 H VAL 32 16.006 -16.143 -5.322 163 HA VAL 32 HA VAL 32 13.048 -16.311 -5.562 164 HB VAL 32 HB VAL 32 13.412 -18.583 -4.466 165 HG11 VAL 32 1HG1 VAL 32 13.113 -18.250 -6.926 166 HG12 VAL 32 2HG1 VAL 32 14.876 -18.128 -7.114 167 HG13 VAL 32 3HG1 VAL 32 14.140 -19.650 -6.536 168 HG21 VAL 32 3HG2 VAL 32 15.704 -18.060 -3.489 169 HG22 VAL 32 1HG2 VAL 32 15.631 -19.564 -4.405 170 HG23 VAL 32 2HG2 VAL 32 16.369 -18.136 -5.156 171 H ASN 33 H ASN 33 13.506 -14.201 -4.298 172 HA ASN 33 HA ASN 33 14.092 -14.529 -1.477 173 HB2 ASN 33 1HB ASN 33 13.537 -12.128 -1.406 174 HB3 ASN 33 2HB ASN 33 14.692 -12.586 -2.647 175 HD21 ASN 33 2HD2 ASN 33 11.638 -11.129 -2.034 176 HD22 ASN 33 1HD2 ASN 33 11.347 -10.700 -3.716 177 H GLN 34 H GLN 34 11.805 -16.125 -2.151 178 HA GLN 34 HA GLN 34 9.831 -16.795 -1.221 179 HB2 GLN 34 1HB GLN 34 10.324 -14.760 0.965 180 HB3 GLN 34 2HB GLN 34 9.364 -16.224 1.075 181 HG2 GLN 34 1HG GLN 34 11.406 -17.596 0.823 182 HG3 GLN 34 2HG GLN 34 12.374 -16.114 0.748 183 HE21 GLN 34 2HE2 GLN 34 13.278 -17.586 2.587 184 HE22 GLN 34 1HE2 GLN 34 12.744 -17.163 4.179 185 H HIS 35 H HIS 35 7.637 -16.163 -0.288 186 HA HIS 35 HA HIS 35 6.580 -13.860 -1.821 187 HB2 HIS 35 1HB HIS 35 5.191 -15.994 -0.150 188 HB3 HIS 35 2HB HIS 35 4.376 -14.682 -1.010 189 HD1 HIS 35 HD1 HIS 35 5.225 -14.666 -3.768 190 HD2 HIS 35 HD2 HIS 35 5.208 -18.279 -1.653 191 HE1 HIS 35 HE1 HIS 35 5.279 -16.538 -5.509 192 HE2 HIS 35 HE2 HIS 35 5.180 -18.714 -4.203 193 H LEU 36 H LEU 36 7.430 -12.117 -0.757 194 HA LEU 36 HA LEU 36 7.349 -11.966 2.160 195 HB2 LEU 36 1HB LEU 36 8.216 -9.988 0.047 196 HB3 LEU 36 2HB LEU 36 8.501 -9.826 1.771 197 HG LEU 36 HG LEU 36 9.669 -11.973 0.004 198 HD11 LEU 36 1HD1 LEU 36 11.788 -10.752 0.307 199 HD12 LEU 36 2HD1 LEU 36 10.936 -9.498 1.219 200 HD13 LEU 36 3HD1 LEU 36 10.572 -9.744 -0.506 201 HD21 LEU 36 3HD2 LEU 36 9.449 -12.795 2.284 202 HD22 LEU 36 1HD2 LEU 36 10.216 -11.318 2.934 203 HD23 LEU 36 2HD2 LEU 36 11.149 -12.458 1.927 204 H CYS 37 H CYS 37 5.896 -10.875 3.356 205 HA CYS 37 HA CYS 37 4.155 -8.869 2.014 206 HB2 CYS 37 1HB CYS 37 3.138 -11.136 3.761 207 HB3 CYS 37 2HB CYS 37 2.168 -9.820 3.103 208 H GLY 38 H GLY 38 4.205 -10.500 5.243 209 HA2 GLY 38 1HA GLY 38 3.988 -7.932 6.600 210 HA3 GLY 38 2HA GLY 38 4.048 -9.529 7.335 211 H SER 39 H SER 39 5.556 -9.020 8.950 212 HA SER 39 HA SER 39 7.854 -7.481 8.641 213 HB2 SER 39 1HB SER 39 7.790 -9.884 10.434 214 HB3 SER 39 2HB SER 39 8.532 -8.288 10.715 215 HG SER 39 HG SER 39 6.606 -8.313 11.829 216 H HIS 40 H HIS 40 7.469 -10.734 7.408 217 HA HIS 40 HA HIS 40 10.245 -11.448 7.267 218 HB2 HIS 40 1HB HIS 40 7.697 -12.367 6.043 219 HB3 HIS 40 2HB HIS 40 9.070 -12.471 4.925 220 HD1 HIS 40 HD1 HIS 40 10.099 -14.772 4.955 221 HD2 HIS 40 HD2 HIS 40 8.704 -13.607 8.742 222 HE1 HIS 40 HE1 HIS 40 10.621 -16.675 6.584 223 HE2 HIS 40 HE2 HIS 40 9.783 -15.960 8.845 224 H LEU 41 H LEU 41 8.200 -9.223 5.371 225 HA LEU 41 HA LEU 41 9.978 -9.017 3.129 226 HB2 LEU 41 1HB LEU 41 7.549 -8.326 3.220 227 HB3 LEU 41 2HB LEU 41 8.006 -6.951 4.203 228 HG LEU 41 HG LEU 41 9.221 -7.336 1.461 229 HD11 LEU 41 1HD1 LEU 41 6.793 -7.613 1.165 230 HD12 LEU 41 2HD1 LEU 41 7.288 -6.028 0.566 231 HD13 LEU 41 3HD1 LEU 41 6.478 -6.167 2.147 232 HD21 LEU 41 3HD2 LEU 41 10.133 -5.508 2.830 233 HD22 LEU 41 1HD2 LEU 41 8.496 -4.880 3.114 234 HD23 LEU 41 2HD2 LEU 41 9.203 -4.852 1.474 235 H VAL 42 H VAL 42 9.517 -7.188 6.143 236 HA VAL 42 HA VAL 42 11.590 -5.272 5.630 237 HB VAL 42 HB VAL 42 10.505 -6.236 8.331 238 HG11 VAL 42 1HG1 VAL 42 12.630 -5.015 8.608 239 HG12 VAL 42 2HG1 VAL 42 12.044 -3.711 7.561 240 HG13 VAL 42 3HG1 VAL 42 11.282 -3.981 9.139 241 HG21 VAL 42 3HG2 VAL 42 8.673 -5.422 6.914 242 HG22 VAL 42 1HG2 VAL 42 9.020 -4.226 8.159 243 HG23 VAL 42 2HG2 VAL 42 9.602 -3.943 6.517 244 H GLU 43 H GLU 43 11.543 -8.482 7.170 245 HA GLU 43 HA GLU 43 14.228 -8.403 8.149 246 HB2 GLU 43 1HB GLU 43 12.405 -10.086 8.712 247 HB3 GLU 43 2HB GLU 43 12.787 -10.875 7.189 248 HG2 GLU 43 1HG GLU 43 13.975 -12.080 8.810 249 HG3 GLU 43 2HG GLU 43 15.194 -11.035 8.041 250 HE2 GLU 43 HE2 GLU 43 14.231 -10.600 11.823 251 H ALA 44 H ALA 44 12.906 -9.574 4.997 252 HA ALA 44 HA ALA 44 15.495 -10.419 4.040 253 HB1 ALA 44 3HB ALA 44 12.985 -9.631 2.498 254 HB2 ALA 44 1HB ALA 44 14.408 -10.454 1.806 255 HB3 ALA 44 2HB ALA 44 13.417 -11.269 3.034 256 H LEU 45 H LEU 45 13.581 -7.407 3.763 257 HA LEU 45 HA LEU 45 15.394 -6.007 2.072 258 HB2 LEU 45 1HB LEU 45 12.996 -5.433 2.804 259 HB3 LEU 45 2HB LEU 45 13.715 -4.814 4.287 260 HG LEU 45 HG LEU 45 15.030 -3.201 2.867 261 HD11 LEU 45 1HD1 LEU 45 14.969 -4.163 0.705 262 HD12 LEU 45 2HD1 LEU 45 14.022 -2.678 0.628 263 HD13 LEU 45 3HD1 LEU 45 13.192 -4.242 0.715 264 HD21 LEU 45 3HD2 LEU 45 13.038 -2.570 4.136 265 HD22 LEU 45 1HD2 LEU 45 12.012 -3.070 2.750 266 HD23 LEU 45 2HD2 LEU 45 13.123 -1.695 2.578 267 H TYR 46 H TYR 46 15.379 -6.646 5.570 268 HA TYR 46 HA TYR 46 17.534 -4.808 6.170 269 HB2 TYR 46 1HB TYR 46 15.918 -5.619 7.871 270 HB3 TYR 46 2HB TYR 46 16.517 -7.260 7.626 271 HD1 TYR 46 HD1 TYR 46 17.345 -3.959 9.082 272 HD2 TYR 46 HD2 TYR 46 18.667 -8.026 8.496 273 HE1 TYR 46 HE1 TYR 46 19.124 -3.649 10.805 274 HE2 TYR 46 HE2 TYR 46 20.429 -7.701 10.205 275 HH TYR 46 HH TYR 46 21.475 -6.236 11.609 276 H LEU 47 H LEU 47 17.352 -8.308 5.339 277 HA LEU 47 HA LEU 47 20.155 -8.819 5.702 278 HB2 LEU 47 1HB LEU 47 18.082 -10.102 3.924 279 HB3 LEU 47 2HB LEU 47 19.738 -10.698 4.053 280 HG LEU 47 HG LEU 47 17.806 -10.480 6.408 281 HD11 LEU 47 1HD1 LEU 47 18.519 -12.879 4.671 282 HD12 LEU 47 2HD1 LEU 47 16.962 -12.013 4.678 283 HD13 LEU 47 3HD1 LEU 47 17.483 -12.903 6.123 284 HD21 LEU 47 3HD2 LEU 47 20.142 -10.506 7.109 285 HD22 LEU 47 1HD2 LEU 47 20.497 -11.886 6.033 286 HD23 LEU 47 2HD2 LEU 47 19.416 -12.097 7.444 287 H VAL 48 H VAL 48 18.323 -7.364 3.010 288 HA VAL 48 HA VAL 48 20.744 -7.367 1.302 289 HB VAL 48 HB VAL 48 18.003 -6.053 0.836 290 HG11 VAL 48 1HG1 VAL 48 18.698 -6.049 -1.550 291 HG12 VAL 48 2HG1 VAL 48 19.762 -5.015 -0.559 292 HG13 VAL 48 3HG1 VAL 48 20.306 -6.629 -1.090 293 HG21 VAL 48 3HG2 VAL 48 19.154 -8.718 -0.082 294 HG22 VAL 48 1HG2 VAL 48 17.750 -8.463 0.978 295 HG23 VAL 48 2HG2 VAL 48 17.671 -7.978 -0.720 296 H CYS 49 H CYS 49 18.724 -4.854 2.908 297 HA CYS 49 HA CYS 49 20.722 -2.786 2.108 298 HB2 CYS 49 1HB CYS 49 17.850 -2.506 3.044 299 HB3 CYS 49 2HB CYS 49 18.863 -1.221 2.382 300 H GLY 50 H GLY 50 19.851 -4.494 4.910 301 HA2 GLY 50 1HA GLY 50 19.525 -2.268 6.722 302 HA3 GLY 50 2HA GLY 50 19.663 -3.971 7.130 303 H GLU 51 H GLU 51 21.849 -1.498 5.745 304 HA GLU 51 HA GLU 51 24.165 -2.578 6.992 305 HB2 GLU 51 1HB GLU 51 23.616 0.290 6.134 306 HB3 GLU 51 2HB GLU 51 25.211 -0.403 6.471 307 HG2 GLU 51 1HG GLU 51 24.885 -1.999 4.591 308 HG3 GLU 51 2HG GLU 51 23.325 -1.234 4.221 309 HE2 GLU 51 HE2 GLU 51 25.086 -1.387 2.465 310 H GLN 52 H GLN 52 22.433 0.458 7.917 311 HA GLN 52 HA GLN 52 22.487 -0.203 10.731 312 HB2 GLN 52 1HB GLN 52 24.015 1.632 11.448 313 HB3 GLN 52 2HB GLN 52 24.826 0.322 10.633 314 HG2 GLN 52 1HG GLN 52 25.009 1.627 8.558 315 HG3 GLN 52 2HG GLN 52 24.136 2.964 9.316 316 HE21 GLN 52 2HE2 GLN 52 26.123 4.111 8.606 317 HE22 GLN 52 1HE2 GLN 52 27.469 4.129 9.712 318 H GLY 53 H GLY 53 20.388 0.636 8.968 319 HA2 GLY 53 1HA GLY 53 19.639 3.124 10.365 320 HA3 GLY 53 2HA GLY 53 19.772 3.218 8.629 321 H PHE 54 H PHE 54 18.437 0.315 10.167 322 HA PHE 54 HA PHE 54 15.957 0.840 8.683 323 HB2 PHE 54 1HB PHE 54 17.205 -1.450 10.056 324 HB3 PHE 54 2HB PHE 54 15.441 -1.383 10.136 325 HD1 PHE 54 HD1 PHE 54 17.907 -0.443 7.427 326 HD2 PHE 54 HD2 PHE 54 14.530 -2.866 8.577 327 HE1 PHE 54 HE1 PHE 54 17.731 -1.334 5.113 328 HE2 PHE 54 HE2 PHE 54 14.376 -3.737 6.265 329 HZ PHE 54 HZ PHE 54 15.997 -2.972 4.542 330 H PHE 55 H PHE 55 17.066 1.408 11.883 331 HA PHE 55 HA PHE 55 14.585 2.720 12.557 332 HB2 PHE 55 1HB PHE 55 14.616 0.015 13.231 333 HB3 PHE 55 2HB PHE 55 15.299 0.745 14.682 334 HD1 PHE 55 HD2 PHE 55 13.417 3.440 14.105 335 HD2 PHE 55 HD1 PHE 55 12.724 -0.786 14.576 336 HE1 PHE 55 HE2 PHE 55 11.112 3.902 14.900 337 HE2 PHE 55 HE1 PHE 55 10.424 -0.322 15.333 338 HZ PHE 55 HZ PHE 55 9.615 2.019 15.487 339 H TYR 56 H TYR 56 14.970 3.675 14.844 340 HA TYR 56 HA TYR 56 17.814 3.623 15.701 341 HB2 TYR 56 1HB TYR 56 17.658 5.646 14.326 342 HB3 TYR 56 2HB TYR 56 16.203 6.155 15.185 343 HD1 TYR 56 HD2 TYR 56 19.833 5.371 15.779 344 HD2 TYR 56 HD1 TYR 56 16.373 7.578 17.068 345 HE1 TYR 56 HE2 TYR 56 21.214 6.617 17.427 346 HE2 TYR 56 HE1 TYR 56 17.775 8.841 18.707 347 HH TYR 56 HH TYR 56 19.889 9.165 19.532 348 H THR 57 H THR 57 17.865 3.373 17.879 349 HA THR 57 HA THR 57 15.499 4.193 19.465 350 HB THR 57 HB THR 57 14.840 1.965 19.334 351 HG1 THR 57 HG1 THR 57 15.247 2.451 21.514 352 HG21 THR 57 1HG2 THR 57 16.388 0.023 19.410 353 HG22 THR 57 2HG2 THR 57 17.753 1.146 19.303 354 HG23 THR 57 3HG2 THR 57 16.578 1.013 17.941 355 HA PRO 58 HA PRO 58 19.412 5.534 21.209 356 HB2 PRO 58 1HB PRO 58 18.470 7.419 22.980 357 HB3 PRO 58 2HB PRO 58 18.636 7.735 21.225 358 HG2 PRO 58 1HG PRO 58 16.207 6.931 22.771 359 HG3 PRO 58 2HG PRO 58 16.411 8.251 21.575 360 HD2 PRO 58 1HD PRO 58 15.319 5.841 20.915 361 HD3 PRO 58 2HD PRO 58 16.374 6.741 19.782 362 H LYS 59 H LYS 59 20.461 4.425 22.705 363 HA LYS 59 HA LYS 59 19.352 3.788 25.328 364 HB2 LYS 59 1HB LYS 59 18.526 2.081 23.366 365 HB3 LYS 59 2HB LYS 59 20.096 1.384 23.725 366 HG2 LYS 59 1HG LYS 59 19.440 1.210 26.108 367 HG3 LYS 59 2HG LYS 59 17.859 1.879 25.713 368 HD2 LYS 59 1HD LYS 59 17.456 -0.027 24.183 369 HD3 LYS 59 2HD LYS 59 19.044 -0.704 24.628 370 HE2 LYS 59 1HE LYS 59 18.285 -0.785 27.010 371 HE3 LYS 59 2HE LYS 59 16.691 -0.204 26.509 372 HZ1 LYS 59 3HZ LYS 59 17.930 -2.756 25.665 373 HZ2 LYS 59 1HZ LYS 59 16.481 -2.179 25.118 374 HZ3 LYS 59 2HZ LYS 59 16.673 -2.593 26.730 375 H THR 60 H THR 60 21.186 1.936 26.073 376 HA THR 60 HA THR 60 23.742 3.124 25.999 377 HB THR 60 HB THR 60 24.453 0.694 26.654 378 HG1 THR 60 HG1 THR 60 22.726 -0.344 25.640 379 HG21 THR 60 1HG2 THR 60 23.383 0.865 28.896 380 HG22 THR 60 2HG2 THR 60 22.141 1.956 28.256 381 HG23 THR 60 3HG2 THR 60 23.823 2.482 28.376 382 HXT THR 60 H02 THR 60 23.749 1.088 22.748 Start of MODEL 8 1 H1 GLY 1 2H0 GLY 1 1.469 2.010 -1.136 2 H2 GLY 1 1H0 GLY 1 1.829 0.944 -2.309 3 HA2 GLY 1 1HA GLY 1 3.851 1.861 -1.318 4 HA3 GLY 1 2HA GLY 1 3.436 1.153 0.271 5 H ILE 2 H ILE 2 5.661 0.256 0.036 6 HA ILE 2 HA ILE 2 6.331 -1.696 -1.869 7 HB ILE 2 HB ILE 2 7.951 -0.639 -0.328 8 HG12 ILE 2 1HG1 ILE 2 7.885 -3.649 -0.108 9 HG13 ILE 2 2HG1 ILE 2 8.483 -2.752 -1.525 10 HG21 ILE 2 1HG2 ILE 2 8.169 -1.208 1.970 11 HG22 ILE 2 2HG2 ILE 2 6.502 -0.736 1.699 12 HG23 ILE 2 3HG2 ILE 2 6.909 -2.452 1.852 13 HD11 ILE 2 3HD1 ILE 2 10.267 -1.774 -0.155 14 HD12 ILE 2 1HD1 ILE 2 9.693 -2.762 1.221 15 HD13 ILE 2 2HD1 ILE 2 10.319 -3.579 -0.260 16 H VAL 3 H VAL 3 4.427 -2.056 1.095 17 HA VAL 3 HA VAL 3 4.572 -4.865 1.272 18 HB VAL 3 HB VAL 3 2.173 -3.195 2.091 19 HG11 VAL 3 1HG1 VAL 3 3.187 -5.946 3.024 20 HG12 VAL 3 2HG1 VAL 3 1.762 -5.086 3.642 21 HG13 VAL 3 3HG1 VAL 3 1.778 -5.709 1.976 22 HG21 VAL 3 3HG2 VAL 3 4.172 -2.274 3.111 23 HG22 VAL 3 1HG2 VAL 3 3.232 -3.214 4.327 24 HG23 VAL 3 2HG2 VAL 3 4.707 -3.875 3.589 25 H GLU 4 H GLU 4 1.985 -2.877 -0.275 26 HA GLU 4 HA GLU 4 0.757 -5.270 -1.410 27 HB2 GLU 4 1HB GLU 4 -0.758 -3.828 -2.508 28 HB3 GLU 4 2HB GLU 4 -0.486 -3.175 -0.872 29 HG2 GLU 4 1HG GLU 4 1.041 -1.442 -1.875 30 HG3 GLU 4 2HG GLU 4 0.694 -2.093 -3.473 31 HE2 GLU 4 HE2 GLU 4 -2.273 -0.433 -1.457 32 H GLN 5 H GLN 5 3.306 -3.107 -2.475 33 HA GLN 5 HA GLN 5 3.248 -3.734 -5.256 34 HB2 GLN 5 1HB GLN 5 4.651 -1.995 -3.769 35 HB3 GLN 5 2HB GLN 5 5.863 -3.270 -3.926 36 HG2 GLN 5 1HG GLN 5 6.278 -1.759 -5.663 37 HG3 GLN 5 2HG GLN 5 5.550 -3.177 -6.445 38 HE21 GLN 5 2HE2 GLN 5 4.429 -2.408 -8.159 39 HE22 GLN 5 1HE2 GLN 5 3.266 -1.111 -8.080 40 H CYS 6 H CYS 6 4.912 -5.268 -2.474 41 HA CYS 6 HA CYS 6 6.157 -7.285 -4.227 42 HB2 CYS 6 1HB CYS 6 7.407 -6.053 -2.440 43 HB3 CYS 6 2HB CYS 6 6.459 -6.992 -1.269 44 H CYS 7 H CYS 7 3.667 -7.193 -1.605 45 HA CYS 7 HA CYS 7 3.568 -10.109 -1.572 46 HB2 CYS 7 1HB CYS 7 3.349 -8.700 0.477 47 HB3 CYS 7 2HB CYS 7 1.765 -8.161 -0.141 48 H THR 8 H THR 8 3.090 -9.565 -4.006 49 HA THR 8 HA THR 8 0.236 -10.266 -4.430 50 HB THR 8 HB THR 8 0.566 -8.667 -6.584 51 HG1 THR 8 HG1 THR 8 1.623 -6.712 -5.290 52 HG21 THR 8 1HG2 THR 8 -0.638 -6.889 -5.468 53 HG22 THR 8 2HG2 THR 8 -0.121 -7.550 -3.861 54 HG23 THR 8 3HG2 THR 8 -1.250 -8.451 -4.906 55 H SER 9 H SER 9 3.318 -9.443 -6.148 56 HA SER 9 HA SER 9 3.125 -12.056 -7.567 57 HB2 SER 9 1HB SER 9 4.497 -9.623 -8.680 58 HB3 SER 9 2HB SER 9 3.942 -11.080 -9.534 59 HG SER 9 HG SER 9 2.496 -9.370 -9.869 60 H ILE 10 H ILE 10 4.813 -11.143 -5.118 61 HA ILE 10 HA ILE 10 6.815 -11.715 -4.219 62 HB ILE 10 HB ILE 10 7.245 -13.554 -6.638 63 HG12 ILE 10 1HG1 ILE 10 5.660 -14.027 -4.098 64 HG13 ILE 10 2HG1 ILE 10 5.027 -14.002 -5.764 65 HG21 ILE 10 1HG2 ILE 10 9.251 -13.209 -5.139 66 HG22 ILE 10 2HG2 ILE 10 8.242 -13.756 -3.764 67 HG23 ILE 10 3HG2 ILE 10 8.628 -14.875 -5.071 68 HD11 ILE 10 3HD1 ILE 10 6.600 -16.026 -6.205 69 HD12 ILE 10 1HD1 ILE 10 6.745 -16.132 -4.416 70 HD13 ILE 10 2HD1 ILE 10 5.144 -16.294 -5.221 71 H CYS 11 H CYS 11 7.642 -9.558 -4.547 72 HA CYS 11 HA CYS 11 9.033 -8.789 -6.878 73 HB2 CYS 11 1HB CYS 11 9.827 -6.938 -5.645 74 HB3 CYS 11 2HB CYS 11 8.148 -7.234 -5.159 75 H SER 12 H SER 12 11.037 -8.979 -7.551 76 HA SER 12 HA SER 12 12.833 -10.924 -6.294 77 HB2 SER 12 1HB SER 12 13.088 -9.326 -8.865 78 HB3 SER 12 2HB SER 12 14.172 -10.597 -8.373 79 HG SER 12 HG SER 12 12.556 -11.453 -9.708 80 H LEU 13 H LEU 13 15.246 -10.324 -6.147 81 HA LEU 13 HA LEU 13 15.722 -8.078 -4.526 82 HB2 LEU 13 1HB LEU 13 17.928 -8.730 -4.434 83 HB3 LEU 13 2HB LEU 13 16.975 -10.191 -4.701 84 HG LEU 13 HG LEU 13 17.699 -10.010 -7.162 85 HD11 LEU 13 1HD1 LEU 13 19.934 -9.009 -7.534 86 HD12 LEU 13 2HD1 LEU 13 19.816 -8.216 -5.932 87 HD13 LEU 13 3HD1 LEU 13 18.715 -7.821 -7.319 88 HD21 LEU 13 3HD2 LEU 13 18.423 -11.679 -5.553 89 HD22 LEU 13 1HD2 LEU 13 19.675 -10.562 -4.916 90 HD23 LEU 13 2HD2 LEU 13 19.761 -11.177 -6.609 91 H TYR 14 H TYR 14 15.825 -8.296 -8.041 92 HA TYR 14 HA TYR 14 17.415 -5.983 -8.542 93 HB2 TYR 14 1HB TYR 14 16.811 -7.542 -10.304 94 HB3 TYR 14 2HB TYR 14 15.094 -7.215 -10.167 95 HD1 TYR 14 HD1 TYR 14 18.423 -5.679 -11.081 96 HD2 TYR 14 HD2 TYR 14 14.085 -5.333 -11.308 97 HE1 TYR 14 HE1 TYR 14 18.642 -3.730 -12.658 98 HE2 TYR 14 HE2 TYR 14 14.341 -3.422 -12.908 99 HH TYR 14 HH TYR 14 17.560 -2.186 -14.013 100 H GLN 15 H GLN 15 13.901 -6.421 -8.007 101 HA GLN 15 HA GLN 15 13.341 -3.621 -8.149 102 HB2 GLN 15 1HB GLN 15 11.750 -5.507 -8.643 103 HB3 GLN 15 2HB GLN 15 11.645 -5.815 -6.908 104 HG2 GLN 15 1HG GLN 15 10.788 -3.533 -6.558 105 HG3 GLN 15 2HG GLN 15 10.855 -3.233 -8.311 106 HE21 GLN 15 2HE2 GLN 15 8.530 -2.787 -7.796 107 HE22 GLN 15 1HE2 GLN 15 7.422 -4.128 -7.876 108 H LEU 16 H LEU 16 13.952 -6.003 -5.521 109 HA LEU 16 HA LEU 16 13.202 -4.280 -3.368 110 HB2 LEU 16 1HB LEU 16 13.567 -6.820 -3.360 111 HB3 LEU 16 2HB LEU 16 15.326 -6.479 -3.174 112 HG LEU 16 HG LEU 16 14.721 -5.084 -1.108 113 HD11 LEU 16 1HD1 LEU 16 12.089 -6.567 -1.339 114 HD12 LEU 16 2HD1 LEU 16 12.352 -4.783 -1.321 115 HD13 LEU 16 3HD1 LEU 16 12.721 -5.717 0.120 116 HD21 LEU 16 3HD2 LEU 16 14.761 -7.042 0.291 117 HD22 LEU 16 1HD2 LEU 16 15.729 -7.361 -1.159 118 HD23 LEU 16 2HD2 LEU 16 14.099 -8.078 -0.952 119 H GLU 17 H GLU 17 16.335 -4.560 -5.080 120 HA GLU 17 HA GLU 17 17.808 -2.962 -3.205 121 HB2 GLU 17 1HB GLU 17 18.146 -3.593 -6.112 122 HB3 GLU 17 2HB GLU 17 19.253 -2.471 -5.299 123 HG2 GLU 17 1HG GLU 17 19.779 -4.254 -3.613 124 HG3 GLU 17 2HG GLU 17 18.755 -5.376 -4.508 125 HE2 GLU 17 HE2 GLU 17 20.583 -6.521 -4.535 126 H ASN 18 H ASN 18 15.387 -2.062 -5.570 127 HA ASN 18 HA ASN 18 16.226 0.629 -6.037 128 HB2 ASN 18 1HB ASN 18 14.386 -0.889 -7.243 129 HB3 ASN 18 2HB ASN 18 13.297 -0.265 -5.958 130 HD21 ASN 18 2HD2 ASN 18 14.675 0.429 -9.012 131 HD22 ASN 18 1HD2 ASN 18 14.045 2.059 -9.121 132 H TYR 19 H TYR 19 14.733 -1.038 -3.327 133 HA TYR 19 HA TYR 19 13.805 1.506 -2.154 134 HB2 TYR 19 1HB TYR 19 13.812 -1.352 -1.101 135 HB3 TYR 19 2HB TYR 19 13.099 0.080 -0.290 136 HD1 TYR 19 HD2 TYR 19 10.935 0.995 -1.202 137 HD2 TYR 19 HD1 TYR 19 12.838 -2.371 -3.051 138 HE1 TYR 19 HE2 TYR 19 8.862 0.576 -2.566 139 HE2 TYR 19 HE1 TYR 19 10.772 -2.875 -4.380 140 HH TYR 19 HH TYR 19 8.647 -2.131 -4.893 141 H CYS 20 H CYS 20 16.816 0.108 -2.521 142 HA CYS 20 HA CYS 20 17.722 0.851 0.231 143 HB2 CYS 20 1HB CYS 20 18.428 -1.374 -0.742 144 HB3 CYS 20 2HB CYS 20 19.239 -0.553 -2.025 145 H ASN 21 H ASN 21 17.859 2.998 0.217 146 HA ASN 21 HA ASN 21 19.079 4.483 -2.025 147 HB2 ASN 21 1HB ASN 21 17.299 5.322 -0.252 148 HB3 ASN 21 2HB ASN 21 18.682 5.648 0.779 149 HD21 ASN 21 2HD2 ASN 21 16.953 7.602 -0.357 150 HD22 ASN 21 1HD2 ASN 21 17.852 8.638 -1.401 151 HXT ASN 21 H02 ASN 21 22.294 4.425 -1.243 152 H1 PHE 31 2H0 PHE 31 19.397 -17.009 -5.333 153 H2 PHE 31 1H0 PHE 31 20.288 -15.754 -4.914 154 HA PHE 31 HA PHE 31 18.632 -15.424 -2.902 155 HB2 PHE 31 1HB PHE 31 18.961 -13.886 -4.799 156 HB3 PHE 31 2HB PHE 31 17.818 -14.787 -5.775 157 HD1 PHE 31 HD1 PHE 31 18.307 -12.500 -2.910 158 HD2 PHE 31 HD2 PHE 31 15.406 -14.737 -5.236 159 HE1 PHE 31 HE1 PHE 31 16.401 -11.217 -1.836 160 HE2 PHE 31 HE2 PHE 31 13.578 -13.470 -4.141 161 HZ PHE 31 HZ PHE 31 14.102 -11.754 -2.445 162 H VAL 32 H VAL 32 17.042 -16.194 -1.866 163 HA VAL 32 HA VAL 32 15.420 -18.394 -3.058 164 HB VAL 32 HB VAL 32 14.893 -17.473 -0.261 165 HG11 VAL 32 1HG1 VAL 32 14.739 -19.808 0.152 166 HG12 VAL 32 2HG1 VAL 32 13.777 -19.425 -1.263 167 HG13 VAL 32 3HG1 VAL 32 15.369 -20.197 -1.456 168 HG21 VAL 32 3HG2 VAL 32 17.530 -18.805 -0.999 169 HG22 VAL 32 1HG2 VAL 32 17.302 -17.220 -0.189 170 HG23 VAL 32 2HG2 VAL 32 16.845 -18.734 0.624 171 H ASN 33 H ASN 33 13.878 -17.630 -4.340 172 HA ASN 33 HA ASN 33 12.291 -15.298 -3.726 173 HB2 ASN 33 1HB ASN 33 10.933 -15.968 -5.605 174 HB3 ASN 33 2HB ASN 33 12.674 -16.070 -6.046 175 HD21 ASN 33 2HD2 ASN 33 9.991 -17.577 -6.879 176 HD22 ASN 33 1HD2 ASN 33 10.516 -19.211 -6.883 177 H GLN 34 H GLN 34 11.161 -15.287 -1.847 178 HA GLN 34 HA GLN 34 9.128 -17.479 -1.501 179 HB2 GLN 34 1HB GLN 34 9.381 -17.272 0.950 180 HB3 GLN 34 2HB GLN 34 10.928 -17.712 0.238 181 HG2 GLN 34 1HG GLN 34 11.723 -15.481 0.467 182 HG3 GLN 34 2HG GLN 34 10.139 -14.899 0.909 183 HE21 GLN 34 2HE2 GLN 34 12.935 -16.546 2.094 184 HE22 GLN 34 1HE2 GLN 34 12.435 -16.518 3.767 185 H HIS 35 H HIS 35 7.401 -16.485 0.075 186 HA HIS 35 HA HIS 35 6.553 -13.964 -1.163 187 HB2 HIS 35 1HB HIS 35 5.337 -15.879 0.854 188 HB3 HIS 35 2HB HIS 35 4.603 -14.292 0.475 189 HD1 HIS 35 HD1 HIS 35 3.615 -13.911 -1.956 190 HD2 HIS 35 HD2 HIS 35 4.920 -17.826 -1.148 191 HE1 HIS 35 HE1 HIS 35 2.750 -15.435 -3.839 192 HE2 HIS 35 HE2 HIS 35 3.532 -17.748 -3.295 193 H LEU 36 H LEU 36 7.728 -12.343 -0.629 194 HA LEU 36 HA LEU 36 8.415 -11.596 2.090 195 HB2 LEU 36 1HB LEU 36 8.733 -10.421 -0.646 196 HB3 LEU 36 2HB LEU 36 8.808 -9.378 0.747 197 HG LEU 36 HG LEU 36 10.749 -10.553 1.579 198 HD11 LEU 36 1HD1 LEU 36 11.918 -12.228 0.133 199 HD12 LEU 36 2HD1 LEU 36 10.407 -12.313 -0.849 200 HD13 LEU 36 3HD1 LEU 36 10.434 -12.774 0.883 201 HD21 LEU 36 3HD2 LEU 36 11.026 -9.800 -1.348 202 HD22 LEU 36 1HD2 LEU 36 12.352 -9.827 -0.137 203 HD23 LEU 36 2HD2 LEU 36 11.060 -8.685 0.028 204 H CYS 37 H CYS 37 6.326 -11.863 2.953 205 HA CYS 37 HA CYS 37 4.678 -9.365 2.602 206 HB2 CYS 37 1HB CYS 37 3.828 -12.254 3.276 207 HB3 CYS 37 2HB CYS 37 2.712 -10.857 3.264 208 H GLY 38 H GLY 38 3.634 -8.889 4.813 209 HA2 GLY 38 1HA GLY 38 3.711 -8.745 7.115 210 HA3 GLY 38 2HA GLY 38 4.244 -10.454 7.096 211 H SER 39 H SER 39 5.839 -10.358 8.633 212 HA SER 39 HA SER 39 7.809 -8.317 8.856 213 HB2 SER 39 1HB SER 39 7.098 -9.981 10.651 214 HB3 SER 39 2HB SER 39 8.097 -11.187 9.859 215 HG SER 39 HG SER 39 9.348 -10.106 11.408 216 H HIS 40 H HIS 40 7.507 -11.190 6.803 217 HA HIS 40 HA HIS 40 10.256 -11.753 6.517 218 HB2 HIS 40 1HB HIS 40 8.006 -12.204 4.493 219 HB3 HIS 40 2HB HIS 40 9.672 -12.902 4.396 220 HD1 HIS 40 HD1 HIS 40 7.530 -14.978 4.365 221 HD2 HIS 40 HD2 HIS 40 9.103 -13.419 7.959 222 HE1 HIS 40 HE1 HIS 40 7.023 -16.703 6.212 223 HE2 HIS 40 HE2 HIS 40 8.037 -15.776 8.354 224 H LEU 41 H LEU 41 8.204 -9.340 4.948 225 HA LEU 41 HA LEU 41 9.910 -8.746 2.727 226 HB2 LEU 41 1HB LEU 41 7.539 -8.157 2.871 227 HB3 LEU 41 2HB LEU 41 7.849 -7.150 4.262 228 HG LEU 41 HG LEU 41 8.992 -5.505 2.923 229 HD11 LEU 41 1HD1 LEU 41 8.327 -7.320 0.574 230 HD12 LEU 41 2HD1 LEU 41 9.973 -6.935 1.181 231 HD13 LEU 41 3HD1 LEU 41 8.912 -5.653 0.459 232 HD21 LEU 41 3HD2 LEU 41 6.242 -6.355 1.879 233 HD22 LEU 41 1HD2 LEU 41 6.960 -4.740 1.742 234 HD23 LEU 41 2HD2 LEU 41 6.553 -5.392 3.351 235 H VAL 42 H VAL 42 9.551 -7.154 5.881 236 HA VAL 42 HA VAL 42 11.735 -5.335 5.332 237 HB VAL 42 HB VAL 42 11.416 -4.607 7.771 238 HG11 VAL 42 1HG1 VAL 42 9.211 -3.493 7.322 239 HG12 VAL 42 2HG1 VAL 42 10.187 -3.467 5.871 240 HG13 VAL 42 3HG1 VAL 42 8.897 -4.673 6.032 241 HG21 VAL 42 3HG2 VAL 42 9.563 -5.338 9.024 242 HG22 VAL 42 1HG2 VAL 42 9.015 -6.401 7.648 243 HG23 VAL 42 2HG2 VAL 42 10.464 -6.812 8.590 244 H GLU 43 H GLU 43 11.421 -8.533 6.773 245 HA GLU 43 HA GLU 43 13.963 -8.502 8.135 246 HB2 GLU 43 1HB GLU 43 12.185 -10.646 6.970 247 HB3 GLU 43 2HB GLU 43 13.792 -11.062 7.487 248 HG2 GLU 43 1HG GLU 43 13.393 -10.359 9.748 249 HG3 GLU 43 2HG GLU 43 11.769 -9.756 9.304 250 HE2 GLU 43 HE2 GLU 43 13.490 -12.312 10.252 251 H ALA 44 H ALA 44 12.959 -9.577 4.843 252 HA ALA 44 HA ALA 44 15.566 -10.355 4.008 253 HB1 ALA 44 3HB ALA 44 13.425 -11.030 2.872 254 HB2 ALA 44 1HB ALA 44 13.252 -9.355 2.261 255 HB3 ALA 44 2HB ALA 44 14.666 -10.369 1.786 256 H LEU 45 H LEU 45 13.778 -7.273 3.642 257 HA LEU 45 HA LEU 45 15.732 -5.963 2.083 258 HB2 LEU 45 1HB LEU 45 13.256 -5.406 2.791 259 HB3 LEU 45 2HB LEU 45 14.008 -4.466 4.071 260 HG LEU 45 HG LEU 45 14.566 -4.165 1.091 261 HD11 LEU 45 1HD1 LEU 45 13.138 -2.143 1.243 262 HD12 LEU 45 2HD1 LEU 45 12.740 -2.603 2.920 263 HD13 LEU 45 3HD1 LEU 45 12.236 -3.630 1.569 264 HD21 LEU 45 3HD2 LEU 45 15.331 -2.330 3.383 265 HD22 LEU 45 1HD2 LEU 45 15.458 -1.912 1.640 266 HD23 LEU 45 2HD2 LEU 45 16.457 -3.255 2.314 267 H TYR 46 H TYR 46 15.312 -6.218 5.707 268 HA TYR 46 HA TYR 46 17.478 -4.463 6.305 269 HB2 TYR 46 1HB TYR 46 15.860 -5.090 7.965 270 HB3 TYR 46 2HB TYR 46 16.314 -6.804 7.869 271 HD1 TYR 46 HD1 TYR 46 17.540 -3.395 8.955 272 HD2 TYR 46 HD2 TYR 46 18.237 -7.664 9.057 273 HE1 TYR 46 HE1 TYR 46 19.355 -3.117 10.688 274 HE2 TYR 46 HE2 TYR 46 19.975 -7.356 10.797 275 HH TYR 46 HH TYR 46 21.016 -4.169 11.892 276 H LEU 47 H LEU 47 17.393 -8.028 5.801 277 HA LEU 47 HA LEU 47 20.112 -8.502 6.508 278 HB2 LEU 47 1HB LEU 47 18.169 -9.973 4.706 279 HB3 LEU 47 2HB LEU 47 19.766 -10.596 5.043 280 HG LEU 47 HG LEU 47 17.673 -10.018 7.159 281 HD11 LEU 47 1HD1 LEU 47 16.878 -11.656 5.588 282 HD12 LEU 47 2HD1 LEU 47 17.325 -12.482 7.133 283 HD13 LEU 47 3HD1 LEU 47 18.410 -12.586 5.700 284 HD21 LEU 47 3HD2 LEU 47 19.870 -9.984 8.050 285 HD22 LEU 47 1HD2 LEU 47 20.224 -11.569 7.304 286 HD23 LEU 47 2HD2 LEU 47 19.003 -11.453 8.586 287 H VAL 48 H VAL 48 18.618 -7.622 3.407 288 HA VAL 48 HA VAL 48 21.175 -7.980 2.011 289 HB VAL 48 HB VAL 48 18.879 -8.583 1.076 290 HG11 VAL 48 1HG1 VAL 48 17.827 -6.368 1.667 291 HG12 VAL 48 2HG1 VAL 48 18.688 -5.672 0.316 292 HG13 VAL 48 3HG1 VAL 48 17.570 -6.945 0.021 293 HG21 VAL 48 3HG2 VAL 48 19.483 -8.149 -1.129 294 HG22 VAL 48 1HG2 VAL 48 20.512 -6.799 -0.677 295 HG23 VAL 48 2HG2 VAL 48 21.001 -8.471 -0.222 296 H CYS 49 H CYS 49 19.330 -5.204 3.328 297 HA CYS 49 HA CYS 49 21.645 -3.444 2.598 298 HB2 CYS 49 1HB CYS 49 19.279 -3.586 1.057 299 HB3 CYS 49 2HB CYS 49 19.219 -2.084 1.853 300 H GLY 50 H GLY 50 20.142 -4.334 5.207 301 HA2 GLY 50 1HA GLY 50 19.012 -1.804 6.135 302 HA3 GLY 50 2HA GLY 50 19.233 -3.308 7.062 303 H GLU 51 H GLU 51 21.649 -1.440 5.277 304 HA GLU 51 HA GLU 51 23.642 -1.696 7.314 305 HB2 GLU 51 1HB GLU 51 23.523 0.261 4.969 306 HB3 GLU 51 2HB GLU 51 24.908 0.020 6.071 307 HG2 GLU 51 1HG GLU 51 25.050 -2.342 5.360 308 HG3 GLU 51 2HG GLU 51 23.765 -2.036 4.165 309 HE2 GLU 51 HE2 GLU 51 26.066 -2.896 3.480 310 H GLN 52 H GLN 52 21.351 0.922 6.642 311 HA GLN 52 HA GLN 52 22.434 2.667 8.753 312 HB2 GLN 52 1HB GLN 52 19.784 2.662 7.234 313 HB3 GLN 52 2HB GLN 52 20.331 3.941 8.327 314 HG2 GLN 52 1HG GLN 52 22.261 3.299 6.131 315 HG3 GLN 52 2HG GLN 52 20.702 3.954 5.624 316 HE21 GLN 52 2HE2 GLN 52 21.088 6.041 5.122 317 HE22 GLN 52 1HE2 GLN 52 21.803 7.170 6.231 318 H GLY 53 H GLY 53 20.058 0.148 8.348 319 HA2 GLY 53 1HA GLY 53 19.105 -1.140 10.020 320 HA3 GLY 53 2HA GLY 53 19.310 0.192 11.199 321 H PHE 54 H PHE 54 16.919 -1.234 10.845 322 HA PHE 54 HA PHE 54 15.185 0.391 9.136 323 HB2 PHE 54 1HB PHE 54 15.290 -2.256 10.239 324 HB3 PHE 54 2HB PHE 54 13.739 -1.486 10.710 325 HD1 PHE 54 HD2 PHE 54 12.198 -0.634 9.051 326 HD2 PHE 54 HD1 PHE 54 15.805 -2.746 7.866 327 HE1 PHE 54 HE2 PHE 54 11.236 -0.963 6.798 328 HE2 PHE 54 HE1 PHE 54 14.846 -2.986 5.574 329 HZ PHE 54 HZ PHE 54 12.543 -2.127 5.022 330 H PHE 55 H PHE 55 16.232 0.581 12.396 331 HA PHE 55 HA PHE 55 15.456 1.561 14.312 332 HB2 PHE 55 1HB PHE 55 15.876 3.401 12.576 333 HB3 PHE 55 2HB PHE 55 14.110 3.552 12.433 334 HD1 PHE 55 HD1 PHE 55 16.543 3.162 15.276 335 HD2 PHE 55 HD2 PHE 55 13.255 5.352 13.667 336 HE1 PHE 55 HE1 PHE 55 16.600 4.679 17.301 337 HE2 PHE 55 HE2 PHE 55 13.272 6.917 15.630 338 HZ PHE 55 HZ PHE 55 14.944 6.539 17.434 339 H TYR 56 H TYR 56 13.780 -0.611 13.653 340 HA TYR 56 HA TYR 56 11.187 0.392 14.628 341 HB2 TYR 56 1HB TYR 56 10.885 -0.173 12.234 342 HB3 TYR 56 2HB TYR 56 11.652 -1.715 12.474 343 HD1 TYR 56 HD1 TYR 56 8.650 0.296 13.451 344 HD2 TYR 56 HD2 TYR 56 10.375 -3.647 13.111 345 HE1 TYR 56 HE1 TYR 56 6.421 -0.773 14.012 346 HE2 TYR 56 HE2 TYR 56 8.148 -4.632 13.656 347 HH TYR 56 HH TYR 56 5.255 -2.764 14.376 348 H THR 57 H THR 57 10.212 -0.961 16.157 349 HA THR 57 HA THR 57 12.039 -3.082 17.240 350 HB THR 57 HB THR 57 11.009 -2.543 19.489 351 HG1 THR 57 HG1 THR 57 9.140 -1.469 18.637 352 HG21 THR 57 1HG2 THR 57 13.204 -1.575 18.623 353 HG22 THR 57 2HG2 THR 57 12.394 -0.562 19.875 354 HG23 THR 57 3HG2 THR 57 12.272 -0.114 18.138 355 HA PRO 58 HA PRO 58 8.099 -5.344 16.446 356 HB2 PRO 58 1HB PRO 58 9.214 -7.737 15.804 357 HB3 PRO 58 2HB PRO 58 9.153 -6.402 14.631 358 HG2 PRO 58 1HG PRO 58 11.434 -7.317 16.367 359 HG3 PRO 58 2HG PRO 58 11.412 -6.868 14.656 360 HD2 PRO 58 1HD PRO 58 12.214 -5.132 16.604 361 HD3 PRO 58 2HD PRO 58 11.453 -4.612 15.055 362 H LYS 59 H LYS 59 6.893 -6.759 17.655 363 HA LYS 59 HA LYS 59 8.275 -8.302 19.764 364 HB2 LYS 59 1HB LYS 59 7.333 -6.065 20.736 365 HB3 LYS 59 2HB LYS 59 5.744 -6.744 20.379 366 HG2 LYS 59 1HG LYS 59 6.222 -8.664 21.881 367 HG3 LYS 59 2HG LYS 59 7.812 -7.991 22.230 368 HD2 LYS 59 1HD LYS 59 6.578 -5.942 23.033 369 HD3 LYS 59 2HD LYS 59 5.092 -6.873 22.941 370 HE2 LYS 59 1HE LYS 59 6.063 -8.598 24.382 371 HE3 LYS 59 2HE LYS 59 7.524 -7.612 24.577 372 HZ1 LYS 59 3HZ LYS 59 6.018 -7.252 26.483 373 HZ2 LYS 59 1HZ LYS 59 4.881 -6.677 25.441 374 HZ3 LYS 59 2HZ LYS 59 6.311 -5.864 25.598 375 H THR 60 H THR 60 7.671 -10.321 19.373 376 HA THR 60 HA THR 60 6.549 -12.160 18.637 377 HB THR 60 HB THR 60 4.292 -12.538 19.656 378 HG1 THR 60 HG1 THR 60 3.327 -10.890 20.751 379 HG21 THR 60 1HG2 THR 60 6.515 -12.952 20.897 380 HG22 THR 60 2HG2 THR 60 5.092 -12.788 21.871 381 HG23 THR 60 3HG2 THR 60 6.189 -11.388 21.764 382 HXT THR 60 H02 THR 60 3.919 -9.960 18.235 Start of MODEL 9 1 H1 GLY 1 2H0 GLY 1 3.499 1.545 -3.746 2 H2 GLY 1 1H0 GLY 1 2.190 1.329 -2.733 3 HA2 GLY 1 1HA GLY 1 4.911 2.035 -1.667 4 HA3 GLY 1 2HA GLY 1 3.445 1.457 -0.794 5 H ILE 2 H ILE 2 6.323 0.651 -0.962 6 HA ILE 2 HA ILE 2 6.725 -1.667 -2.463 7 HB ILE 2 HB ILE 2 8.702 -0.838 -1.327 8 HG12 ILE 2 1HG1 ILE 2 7.933 -3.311 0.276 9 HG13 ILE 2 2HG1 ILE 2 8.523 -3.320 -1.380 10 HG21 ILE 2 1HG2 ILE 2 7.600 0.415 0.543 11 HG22 ILE 2 2HG2 ILE 2 7.384 -1.131 1.452 12 HG23 ILE 2 3HG2 ILE 2 8.995 -0.491 1.086 13 HD11 ILE 2 3HD1 ILE 2 9.957 -2.613 1.196 14 HD12 ILE 2 1HD1 ILE 2 10.438 -3.777 -0.049 15 HD13 ILE 2 2HD1 ILE 2 10.595 -2.033 -0.385 16 H VAL 3 H VAL 3 5.137 -1.440 0.753 17 HA VAL 3 HA VAL 3 5.067 -4.295 1.084 18 HB VAL 3 HB VAL 3 3.289 -2.178 2.360 19 HG11 VAL 3 1HG1 VAL 3 3.016 -3.959 4.187 20 HG12 VAL 3 2HG1 VAL 3 2.254 -4.372 2.639 21 HG13 VAL 3 3HG1 VAL 3 3.796 -5.139 3.070 22 HG21 VAL 3 3HG2 VAL 3 5.630 -1.760 2.844 23 HG22 VAL 3 1HG2 VAL 3 4.817 -2.378 4.313 24 HG23 VAL 3 2HG2 VAL 3 5.893 -3.457 3.313 25 H GLU 4 H GLU 4 2.372 -2.001 0.187 26 HA GLU 4 HA GLU 4 0.567 -4.164 -0.193 27 HB2 GLU 4 1HB GLU 4 -0.799 -2.572 -1.526 28 HB3 GLU 4 2HB GLU 4 -0.313 -1.990 0.066 29 HG2 GLU 4 1HG GLU 4 1.440 -0.543 -1.067 30 HG3 GLU 4 2HG GLU 4 0.906 -1.159 -2.623 31 HE2 GLU 4 HE2 GLU 4 -0.656 1.956 -1.996 32 H GLN 5 H GLN 5 3.128 -2.952 -2.242 33 HA GLN 5 HA GLN 5 2.119 -4.320 -4.738 34 HB2 GLN 5 1HB GLN 5 4.802 -3.092 -3.974 35 HB3 GLN 5 2HB GLN 5 4.563 -3.991 -5.483 36 HG2 GLN 5 1HG GLN 5 2.926 -1.554 -4.678 37 HG3 GLN 5 2HG GLN 5 4.367 -1.504 -5.677 38 HE21 GLN 5 2HE2 GLN 5 1.170 -1.337 -5.784 39 HE22 GLN 5 1HE2 GLN 5 0.857 -2.119 -7.310 40 H CYS 6 H CYS 6 4.684 -4.944 -2.307 41 HA CYS 6 HA CYS 6 5.333 -7.389 -3.705 42 HB2 CYS 6 1HB CYS 6 5.967 -6.509 -0.894 43 HB3 CYS 6 2HB CYS 6 6.626 -7.961 -1.662 44 H CYS 7 H CYS 7 2.997 -6.618 -1.255 45 HA CYS 7 HA CYS 7 2.451 -9.273 -0.310 46 HB2 CYS 7 1HB CYS 7 0.776 -6.781 -0.340 47 HB3 CYS 7 2HB CYS 7 0.233 -8.291 0.393 48 H THR 8 H THR 8 1.712 -7.612 -3.210 49 HA THR 8 HA THR 8 -0.124 -9.855 -4.071 50 HB THR 8 HB THR 8 -0.906 -8.159 -5.859 51 HG1 THR 8 HG1 THR 8 0.151 -6.127 -4.267 52 HG21 THR 8 1HG2 THR 8 -1.219 -7.202 -2.962 53 HG22 THR 8 2HG2 THR 8 -2.313 -8.370 -3.787 54 HG23 THR 8 3HG2 THR 8 -2.226 -6.675 -4.292 55 H SER 9 H SER 9 3.047 -9.238 -4.187 56 HA SER 9 HA SER 9 3.223 -10.318 -6.956 57 HB2 SER 9 1HB SER 9 5.055 -8.107 -6.023 58 HB3 SER 9 2HB SER 9 4.926 -8.783 -7.640 59 HG SER 9 HG SER 9 3.070 -7.194 -6.229 60 H ILE 10 H ILE 10 5.904 -10.619 -7.284 61 HA ILE 10 HA ILE 10 6.691 -12.389 -5.057 62 HB ILE 10 HB ILE 10 7.984 -11.888 -7.771 63 HG12 ILE 10 1HG1 ILE 10 5.664 -13.098 -7.817 64 HG13 ILE 10 2HG1 ILE 10 7.018 -13.880 -8.605 65 HG21 ILE 10 1HG2 ILE 10 9.244 -14.047 -7.236 66 HG22 ILE 10 2HG2 ILE 10 9.749 -12.636 -6.339 67 HG23 ILE 10 3HG2 ILE 10 8.716 -13.812 -5.563 68 HD11 ILE 10 3HD1 ILE 10 7.265 -15.469 -6.750 69 HD12 ILE 10 1HD1 ILE 10 6.054 -14.594 -5.778 70 HD13 ILE 10 2HD1 ILE 10 5.589 -15.474 -7.269 71 H CYS 11 H CYS 11 7.867 -9.440 -6.696 72 HA CYS 11 HA CYS 11 9.547 -7.989 -6.349 73 HB2 CYS 11 1HB CYS 11 8.977 -8.678 -3.464 74 HB3 CYS 11 2HB CYS 11 10.114 -7.412 -4.033 75 H SER 12 H SER 12 11.068 -9.113 -7.467 76 HA SER 12 HA SER 12 12.714 -11.187 -6.439 77 HB2 SER 12 1HB SER 12 14.047 -10.786 -8.500 78 HB3 SER 12 2HB SER 12 12.315 -10.713 -8.862 79 HG SER 12 HG SER 12 13.091 -8.889 -9.810 80 H LEU 13 H LEU 13 15.149 -10.939 -6.256 81 HA LEU 13 HA LEU 13 15.770 -9.057 -4.253 82 HB2 LEU 13 1HB LEU 13 16.903 -11.231 -4.620 83 HB3 LEU 13 2HB LEU 13 17.613 -10.648 -6.113 84 HG LEU 13 HG LEU 13 18.914 -8.946 -4.808 85 HD11 LEU 13 1HD1 LEU 13 19.156 -9.000 -2.450 86 HD12 LEU 13 2HD1 LEU 13 17.944 -10.320 -2.307 87 HD13 LEU 13 3HD1 LEU 13 17.472 -8.684 -2.844 88 HD21 LEU 13 3HD2 LEU 13 20.431 -10.636 -3.704 89 HD22 LEU 13 1HD2 LEU 13 19.917 -11.072 -5.340 90 HD23 LEU 13 2HD2 LEU 13 19.151 -11.857 -3.920 91 H TYR 14 H TYR 14 16.075 -8.921 -7.795 92 HA TYR 14 HA TYR 14 17.869 -6.706 -7.920 93 HB2 TYR 14 1HB TYR 14 17.408 -8.175 -9.810 94 HB3 TYR 14 2HB TYR 14 15.729 -7.655 -9.789 95 HD1 TYR 14 HD1 TYR 14 19.138 -6.252 -10.114 96 HD2 TYR 14 HD2 TYR 14 15.069 -5.856 -11.286 97 HE1 TYR 14 HE1 TYR 14 19.748 -4.408 -11.655 98 HE2 TYR 14 HE2 TYR 14 15.673 -4.027 -12.798 99 HH TYR 14 HH TYR 14 19.133 -2.958 -13.136 100 H GLN 15 H GLN 15 14.365 -6.988 -7.769 101 HA GLN 15 HA GLN 15 13.870 -4.115 -7.917 102 HB2 GLN 15 1HB GLN 15 12.221 -5.905 -8.466 103 HB3 GLN 15 2HB GLN 15 12.081 -6.272 -6.760 104 HG2 GLN 15 1HG GLN 15 11.217 -3.987 -6.377 105 HG3 GLN 15 2HG GLN 15 11.447 -3.620 -8.092 106 HE21 GLN 15 2HE2 GLN 15 9.095 -4.209 -5.931 107 HE22 GLN 15 1HE2 GLN 15 7.969 -5.015 -6.958 108 H LEU 16 H LEU 16 14.189 -6.504 -5.240 109 HA LEU 16 HA LEU 16 13.280 -4.692 -3.261 110 HB2 LEU 16 1HB LEU 16 13.486 -7.089 -3.096 111 HB3 LEU 16 2HB LEU 16 15.258 -7.021 -3.151 112 HG LEU 16 HG LEU 16 15.067 -5.699 -0.924 113 HD11 LEU 16 1HD1 LEU 16 13.007 -6.093 0.437 114 HD12 LEU 16 2HD1 LEU 16 12.218 -6.866 -0.955 115 HD13 LEU 16 3HD1 LEU 16 12.603 -5.156 -1.012 116 HD21 LEU 16 3HD2 LEU 16 14.142 -8.553 -1.072 117 HD22 LEU 16 1HD2 LEU 16 14.871 -7.748 0.349 118 HD23 LEU 16 2HD2 LEU 16 15.831 -7.969 -1.115 119 H GLU 17 H GLU 17 16.528 -5.347 -4.622 120 HA GLU 17 HA GLU 17 18.128 -3.769 -2.884 121 HB2 GLU 17 1HB GLU 17 18.370 -4.828 -5.717 122 HB3 GLU 17 2HB GLU 17 19.458 -3.551 -5.260 123 HG2 GLU 17 1HG GLU 17 19.254 -5.844 -3.345 124 HG3 GLU 17 2HG GLU 17 19.970 -6.196 -4.927 125 HE2 GLU 17 HE2 GLU 17 21.682 -3.674 -2.348 126 H ASN 18 H ASN 18 15.867 -2.829 -5.466 127 HA ASN 18 HA ASN 18 17.111 -0.254 -5.887 128 HB2 ASN 18 1HB ASN 18 15.554 -1.460 -7.537 129 HB3 ASN 18 2HB ASN 18 14.199 -1.049 -6.493 130 HD21 ASN 18 2HD2 ASN 18 16.755 0.282 -8.529 131 HD22 ASN 18 1HD2 ASN 18 15.906 1.781 -8.778 132 H TYR 19 H TYR 19 15.119 -1.507 -3.354 133 HA TYR 19 HA TYR 19 14.256 1.206 -2.419 134 HB2 TYR 19 1HB TYR 19 14.026 -1.525 -1.144 135 HB3 TYR 19 2HB TYR 19 13.204 -0.065 -0.586 136 HD1 TYR 19 HD1 TYR 19 11.706 1.040 -2.664 137 HD2 TYR 19 HD2 TYR 19 12.699 -3.073 -2.271 138 HE1 TYR 19 HE1 TYR 19 9.723 0.358 -4.065 139 HE2 TYR 19 HE2 TYR 19 10.857 -3.758 -3.595 140 HH TYR 19 HH TYR 19 8.579 -1.382 -5.061 141 H CYS 20 H CYS 20 17.038 -0.754 -2.267 142 HA CYS 20 HA CYS 20 17.808 0.567 0.326 143 HB2 CYS 20 1HB CYS 20 18.635 -2.076 -0.894 144 HB3 CYS 20 2HB CYS 20 19.622 -1.226 0.321 145 H ASN 21 H ASN 21 18.083 1.202 -2.830 146 HA ASN 21 HA ASN 21 19.616 2.099 -4.257 147 HB2 ASN 21 1HB ASN 21 19.383 4.007 -2.675 148 HB3 ASN 21 2HB ASN 21 20.573 3.261 -1.532 149 HD21 ASN 21 2HD2 ASN 21 20.936 3.365 -5.075 150 HD22 ASN 21 1HD2 ASN 21 22.275 4.407 -5.049 151 HXT ASN 21 H02 ASN 21 21.785 -0.579 -4.138 152 H1 PHE 31 2H0 PHE 31 20.564 -16.540 -2.644 153 H2 PHE 31 1H0 PHE 31 21.085 -15.512 -1.492 154 HA PHE 31 HA PHE 31 18.745 -15.400 -0.637 155 HB2 PHE 31 1HB PHE 31 19.854 -13.605 -1.944 156 HB3 PHE 31 2HB PHE 31 19.242 -14.307 -3.418 157 HD1 PHE 31 HD1 PHE 31 18.316 -12.451 -0.242 158 HD2 PHE 31 HD2 PHE 31 16.834 -14.077 -4.043 159 HE1 PHE 31 HE1 PHE 31 16.288 -11.008 -0.138 160 HE2 PHE 31 HE2 PHE 31 14.787 -12.734 -3.804 161 HZ PHE 31 HZ PHE 31 14.558 -11.151 -1.880 162 H VAL 32 H VAL 32 16.636 -15.793 -0.776 163 HA VAL 32 HA VAL 32 15.791 -17.846 -2.831 164 HB VAL 32 HB VAL 32 14.163 -18.798 -1.170 165 HG11 VAL 32 1HG1 VAL 32 16.300 -19.885 -1.535 166 HG12 VAL 32 2HG1 VAL 32 17.055 -18.839 -0.253 167 HG13 VAL 32 3HG1 VAL 32 15.797 -20.023 0.209 168 HG21 VAL 32 3HG2 VAL 32 15.503 -16.859 0.764 169 HG22 VAL 32 1HG2 VAL 32 13.779 -16.985 0.354 170 HG23 VAL 32 2HG2 VAL 32 14.568 -18.243 1.296 171 H ASN 33 H ASN 33 13.993 -17.605 -3.864 172 HA ASN 33 HA ASN 33 12.689 -15.002 -3.616 173 HB2 ASN 33 1HB ASN 33 13.055 -16.978 -5.851 174 HB3 ASN 33 2HB ASN 33 11.909 -15.677 -6.018 175 HD21 ASN 33 2HD2 ASN 33 12.677 -14.064 -7.147 176 HD22 ASN 33 1HD2 ASN 33 14.332 -13.549 -7.194 177 H GLN 34 H GLN 34 10.667 -14.842 -2.887 178 HA GLN 34 HA GLN 34 8.684 -16.929 -3.406 179 HB2 GLN 34 1HB GLN 34 8.211 -17.418 -1.014 180 HB3 GLN 34 2HB GLN 34 9.815 -17.926 -1.433 181 HG2 GLN 34 1HG GLN 34 10.735 -15.908 -0.375 182 HG3 GLN 34 2HG GLN 34 9.103 -15.388 0.050 183 HE21 GLN 34 2HE2 GLN 34 11.709 -16.629 1.427 184 HE22 GLN 34 1HE2 GLN 34 10.973 -17.629 2.626 185 H HIS 35 H HIS 35 6.545 -16.025 -2.130 186 HA HIS 35 HA HIS 35 6.319 -13.195 -2.763 187 HB2 HIS 35 1HB HIS 35 4.471 -15.047 -1.194 188 HB3 HIS 35 2HB HIS 35 4.118 -13.341 -1.555 189 HD1 HIS 35 HD1 HIS 35 3.745 -12.670 -4.132 190 HD2 HIS 35 HD2 HIS 35 4.040 -16.811 -3.409 191 HE1 HIS 35 HE1 HIS 35 2.926 -13.887 -6.221 192 HE2 HIS 35 HE2 HIS 35 3.068 -16.341 -5.723 193 H LEU 36 H LEU 36 6.540 -11.387 -1.458 194 HA LEU 36 HA LEU 36 7.300 -11.910 1.372 195 HB2 LEU 36 1HB LEU 36 8.379 -9.843 -0.630 196 HB3 LEU 36 2HB LEU 36 8.780 -9.943 1.074 197 HG LEU 36 HG LEU 36 9.493 -12.050 -0.940 198 HD11 LEU 36 1HD1 LEU 36 10.529 -9.942 -1.452 199 HD12 LEU 36 2HD1 LEU 36 11.710 -11.110 -0.839 200 HD13 LEU 36 3HD1 LEU 36 11.097 -9.824 0.252 201 HD21 LEU 36 3HD2 LEU 36 11.218 -12.668 0.890 202 HD22 LEU 36 1HD2 LEU 36 9.535 -13.075 1.270 203 HD23 LEU 36 2HD2 LEU 36 10.275 -11.649 1.980 204 H CYS 37 H CYS 37 5.950 -10.907 2.750 205 HA CYS 37 HA CYS 37 4.573 -8.366 1.943 206 HB2 CYS 37 1HB CYS 37 2.955 -10.278 1.487 207 HB3 CYS 37 2HB CYS 37 3.162 -10.790 3.159 208 H GLY 38 H GLY 38 4.671 -10.705 4.782 209 HA2 GLY 38 1HA GLY 38 4.384 -8.422 6.623 210 HA3 GLY 38 2HA GLY 38 4.370 -10.168 7.019 211 H SER 39 H SER 39 5.923 -10.480 8.589 212 HA SER 39 HA SER 39 8.186 -8.871 8.824 213 HB2 SER 39 1HB SER 39 8.000 -11.827 9.611 214 HB3 SER 39 2HB SER 39 9.084 -10.570 10.293 215 HG SER 39 HG SER 39 7.241 -10.682 11.616 216 H HIS 40 H HIS 40 7.923 -11.733 6.811 217 HA HIS 40 HA HIS 40 10.626 -12.226 6.327 218 HB2 HIS 40 1HB HIS 40 8.113 -12.934 4.977 219 HB3 HIS 40 2HB HIS 40 9.530 -12.895 3.941 220 HD1 HIS 40 HD1 HIS 40 11.339 -14.622 4.266 221 HD2 HIS 40 HD2 HIS 40 8.151 -14.975 6.968 222 HE1 HIS 40 HE1 HIS 40 11.654 -16.934 5.510 223 HE2 HIS 40 HE2 HIS 40 9.717 -17.098 7.126 224 H LEU 41 H LEU 41 8.495 -9.819 4.898 225 HA LEU 41 HA LEU 41 10.231 -9.127 2.755 226 HB2 LEU 41 1HB LEU 41 7.877 -8.682 2.695 227 HB3 LEU 41 2HB LEU 41 7.933 -7.684 4.113 228 HG LEU 41 HG LEU 41 9.138 -5.934 2.920 229 HD11 LEU 41 1HD1 LEU 41 8.566 -7.416 0.326 230 HD12 LEU 41 2HD1 LEU 41 10.168 -7.496 1.113 231 HD13 LEU 41 3HD1 LEU 41 9.519 -5.947 0.582 232 HD21 LEU 41 3HD2 LEU 41 7.224 -5.347 1.335 233 HD22 LEU 41 1HD2 LEU 41 6.745 -5.761 2.998 234 HD23 LEU 41 2HD2 LEU 41 6.535 -6.947 1.705 235 H VAL 42 H VAL 42 9.480 -7.507 5.861 236 HA VAL 42 HA VAL 42 11.437 -5.480 5.432 237 HB VAL 42 HB VAL 42 9.400 -5.222 6.911 238 HG11 VAL 42 1HG1 VAL 42 10.918 -6.542 9.190 239 HG12 VAL 42 2HG1 VAL 42 9.159 -6.128 9.050 240 HG13 VAL 42 3HG1 VAL 42 9.827 -7.485 8.142 241 HG21 VAL 42 3HG2 VAL 42 12.019 -4.590 8.364 242 HG22 VAL 42 1HG2 VAL 42 11.341 -3.680 6.972 243 HG23 VAL 42 2HG2 VAL 42 10.449 -3.714 8.489 244 H GLU 43 H GLU 43 11.505 -8.708 6.948 245 HA GLU 43 HA GLU 43 14.120 -8.398 8.104 246 HB2 GLU 43 1HB GLU 43 12.588 -10.752 7.060 247 HB3 GLU 43 2HB GLU 43 14.196 -10.918 7.748 248 HG2 GLU 43 1HG GLU 43 13.449 -10.067 9.931 249 HG3 GLU 43 2HG GLU 43 11.833 -9.745 9.266 250 HE2 GLU 43 HE2 GLU 43 11.089 -13.190 9.203 251 H ALA 44 H ALA 44 13.071 -9.600 4.798 252 HA ALA 44 HA ALA 44 15.805 -10.104 4.067 253 HB1 ALA 44 3HB ALA 44 13.451 -9.565 2.167 254 HB2 ALA 44 1HB ALA 44 14.989 -10.344 1.752 255 HB3 ALA 44 2HB ALA 44 13.854 -11.150 2.848 256 H LEU 45 H LEU 45 13.654 -7.261 3.796 257 HA LEU 45 HA LEU 45 15.291 -5.652 2.160 258 HB2 LEU 45 1HB LEU 45 12.893 -5.218 2.913 259 HB3 LEU 45 2HB LEU 45 13.583 -4.712 4.464 260 HG LEU 45 HG LEU 45 14.774 -2.888 3.310 261 HD11 LEU 45 1HD1 LEU 45 15.184 -3.799 1.133 262 HD12 LEU 45 2HD1 LEU 45 14.219 -2.344 0.952 263 HD13 LEU 45 3HD1 LEU 45 13.423 -3.902 0.831 264 HD21 LEU 45 3HD2 LEU 45 12.832 -1.487 2.914 265 HD22 LEU 45 1HD2 LEU 45 12.471 -2.594 4.256 266 HD23 LEU 45 2HD2 LEU 45 11.818 -2.924 2.642 267 H TYR 46 H TYR 46 15.147 -6.194 5.652 268 HA TYR 46 HA TYR 46 17.070 -4.199 6.343 269 HB2 TYR 46 1HB TYR 46 15.730 -4.957 8.131 270 HB3 TYR 46 2HB TYR 46 15.923 -6.654 7.723 271 HD1 TYR 46 HD2 TYR 46 17.749 -3.656 9.031 272 HD2 TYR 46 HD1 TYR 46 17.609 -7.927 8.759 273 HE1 TYR 46 HE2 TYR 46 19.581 -3.794 10.645 274 HE2 TYR 46 HE1 TYR 46 19.557 -8.099 10.285 275 HH TYR 46 HH TYR 46 21.087 -7.024 11.506 276 H LEU 47 H LEU 47 17.307 -7.723 5.650 277 HA LEU 47 HA LEU 47 20.072 -7.887 6.305 278 HB2 LEU 47 1HB LEU 47 18.208 -9.473 4.525 279 HB3 LEU 47 2HB LEU 47 19.903 -9.902 4.643 280 HG LEU 47 HG LEU 47 18.183 -9.682 7.087 281 HD11 LEU 47 1HD1 LEU 47 17.636 -11.969 6.972 282 HD12 LEU 47 2HD1 LEU 47 18.749 -12.270 5.616 283 HD13 LEU 47 3HD1 LEU 47 17.256 -11.329 5.405 284 HD21 LEU 47 3HD2 LEU 47 20.839 -11.037 6.567 285 HD22 LEU 47 1HD2 LEU 47 19.908 -11.153 8.075 286 HD23 LEU 47 2HD2 LEU 47 20.525 -9.590 7.564 287 H VAL 48 H VAL 48 18.380 -7.260 3.091 288 HA VAL 48 HA VAL 48 20.911 -7.298 1.650 289 HB VAL 48 HB VAL 48 18.695 -7.818 0.642 290 HG11 VAL 48 1HG1 VAL 48 17.352 -6.084 1.656 291 HG12 VAL 48 2HG1 VAL 48 18.219 -4.827 0.768 292 HG13 VAL 48 3HG1 VAL 48 17.199 -6.011 -0.099 293 HG21 VAL 48 3HG2 VAL 48 19.976 -5.519 -0.850 294 HG22 VAL 48 1HG2 VAL 48 20.748 -7.095 -0.667 295 HG23 VAL 48 2HG2 VAL 48 19.177 -6.972 -1.501 296 H CYS 49 H CYS 49 19.056 -4.771 3.303 297 HA CYS 49 HA CYS 49 20.492 -2.544 2.113 298 HB2 CYS 49 1HB CYS 49 18.638 -3.005 4.414 299 HB3 CYS 49 2HB CYS 49 19.813 -1.709 4.617 300 H GLY 50 H GLY 50 20.827 -4.671 4.943 301 HA2 GLY 50 1HA GLY 50 22.591 -5.070 6.312 302 HA3 GLY 50 2HA GLY 50 23.668 -4.371 5.077 303 H GLU 51 H GLU 51 21.027 -2.628 6.576 304 HA GLU 51 HA GLU 51 22.995 -0.622 7.433 305 HB2 GLU 51 1HB GLU 51 20.137 -0.562 6.690 306 HB3 GLU 51 2HB GLU 51 20.609 0.557 7.975 307 HG2 GLU 51 1HG GLU 51 21.839 0.434 5.188 308 HG3 GLU 51 2HG GLU 51 20.547 1.575 5.661 309 HE2 GLU 51 HE2 GLU 51 22.642 2.536 4.680 310 H GLN 52 H GLN 52 23.047 0.390 9.412 311 HA GLN 52 HA GLN 52 22.264 -1.327 11.648 312 HB2 GLN 52 1HB GLN 52 23.671 0.176 13.024 313 HB3 GLN 52 2HB GLN 52 24.511 -0.597 11.700 314 HG2 GLN 52 1HG GLN 52 24.482 1.522 10.337 315 HG3 GLN 52 2HG GLN 52 23.627 2.342 11.623 316 HE21 GLN 52 2HE2 GLN 52 26.330 2.531 10.261 317 HE22 GLN 52 1HE2 GLN 52 27.434 2.758 11.601 318 H GLY 53 H GLY 53 20.031 -0.540 10.590 319 HA2 GLY 53 1HA GLY 53 18.932 1.428 12.556 320 HA3 GLY 53 2HA GLY 53 18.692 1.692 10.795 321 H PHE 54 H PHE 54 16.618 1.212 10.439 322 HA PHE 54 HA PHE 54 14.721 0.012 10.120 323 HB2 PHE 54 1HB PHE 54 16.652 -2.282 10.514 324 HB3 PHE 54 2HB PHE 54 14.969 -2.571 10.430 325 HD1 PHE 54 HD2 PHE 54 17.752 -0.998 8.482 326 HD2 PHE 54 HD1 PHE 54 13.754 -2.619 8.470 327 HE1 PHE 54 HE2 PHE 54 17.741 -0.969 5.979 328 HE2 PHE 54 HE1 PHE 54 13.738 -2.511 5.978 329 HZ PHE 54 HZ PHE 54 15.789 -1.749 4.771 330 H PHE 55 H PHE 55 16.170 -0.298 13.242 331 HA PHE 55 HA PHE 55 13.446 -0.952 14.331 332 HB2 PHE 55 1HB PHE 55 16.226 -0.725 15.537 333 HB3 PHE 55 2HB PHE 55 14.789 -0.838 16.516 334 HD1 PHE 55 HD2 PHE 55 16.866 -2.616 14.027 335 HD2 PHE 55 HD1 PHE 55 13.609 -2.889 16.849 336 HE1 PHE 55 HE2 PHE 55 16.944 -5.084 13.856 337 HE2 PHE 55 HE1 PHE 55 13.706 -5.340 16.694 338 HZ PHE 55 HZ PHE 55 15.368 -6.505 15.189 339 H TYR 56 H TYR 56 12.538 0.408 15.956 340 HA TYR 56 HA TYR 56 13.719 3.144 16.245 341 HB2 TYR 56 1HB TYR 56 12.078 3.497 14.466 342 HB3 TYR 56 2HB TYR 56 10.807 2.713 15.442 343 HD1 TYR 56 HD1 TYR 56 12.917 5.762 15.155 344 HD2 TYR 56 HD2 TYR 56 9.821 3.768 17.410 345 HE1 TYR 56 HE1 TYR 56 12.337 7.906 16.269 346 HE2 TYR 56 HE2 TYR 56 9.260 5.869 18.577 347 HH TYR 56 HH TYR 56 9.544 8.174 18.578 348 H THR 57 H THR 57 13.741 3.639 18.368 349 HA THR 57 HA THR 57 11.604 2.621 20.148 350 HB THR 57 HB THR 57 13.453 2.220 21.908 351 HG1 THR 57 HG1 THR 57 15.430 1.463 20.650 352 HG21 THR 57 1HG2 THR 57 12.213 0.335 20.841 353 HG22 THR 57 2HG2 THR 57 13.901 -0.114 21.184 354 HG23 THR 57 3HG2 THR 57 13.383 0.273 19.531 355 HA PRO 58 HA PRO 58 12.154 6.903 21.045 356 HB2 PRO 58 1HB PRO 58 11.503 7.165 23.678 357 HB3 PRO 58 2HB PRO 58 10.239 6.757 22.433 358 HG2 PRO 58 1HG PRO 58 11.692 4.809 24.277 359 HG3 PRO 58 2HG PRO 58 9.915 5.009 23.966 360 HD2 PRO 58 1HD PRO 58 11.337 3.127 22.668 361 HD3 PRO 58 2HD PRO 58 10.089 4.064 21.808 362 H LYS 59 H LYS 59 13.841 8.263 21.690 363 HA LYS 59 HA LYS 59 16.171 6.976 22.851 364 HB2 LYS 59 1HB LYS 59 16.183 8.653 20.975 365 HB3 LYS 59 2HB LYS 59 15.764 9.887 22.126 366 HG2 LYS 59 1HG LYS 59 17.864 9.404 23.414 367 HG3 LYS 59 2HG LYS 59 18.287 8.141 22.214 368 HD2 LYS 59 1HD LYS 59 18.021 10.101 20.491 369 HD3 LYS 59 2HD LYS 59 18.142 11.160 21.922 370 HE2 LYS 59 1HE LYS 59 20.313 10.129 22.488 371 HE3 LYS 59 2HE LYS 59 20.164 9.101 21.061 372 HZ1 LYS 59 3HZ LYS 59 20.240 11.144 19.717 373 HZ2 LYS 59 1HZ LYS 59 21.588 10.941 20.649 374 HZ3 LYS 59 2HZ LYS 59 20.450 12.076 21.024 375 H THR 60 H THR 60 15.534 6.432 24.916 376 HA THR 60 HA THR 60 15.205 8.657 26.941 377 HB THR 60 HB THR 60 13.873 5.943 26.941 378 HG1 THR 60 HG1 THR 60 11.979 7.149 26.240 379 HG21 THR 60 1HG2 THR 60 13.173 8.397 28.591 380 HG22 THR 60 2HG2 THR 60 14.039 6.985 29.239 381 HG23 THR 60 3HG2 THR 60 12.364 6.881 28.660 382 HXT THR 60 H02 THR 60 17.524 7.079 28.829 Start of MODEL 10 1 H1 GLY 1 2H0 GLY 1 1.522 0.075 -2.667 2 H2 GLY 1 1H0 GLY 1 0.830 -0.878 -1.597 3 HA2 GLY 1 1HA GLY 1 3.105 1.040 -1.010 4 HA3 GLY 1 2HA GLY 1 2.236 0.043 0.228 5 H ILE 2 H ILE 2 5.130 0.081 -0.317 6 HA ILE 2 HA ILE 2 6.085 -1.920 -1.945 7 HB ILE 2 HB ILE 2 7.590 -0.439 -0.770 8 HG12 ILE 2 1HG1 ILE 2 8.047 -3.317 0.159 9 HG13 ILE 2 2HG1 ILE 2 8.501 -2.657 -1.420 10 HG21 ILE 2 1HG2 ILE 2 6.102 -0.488 1.450 11 HG22 ILE 2 2HG2 ILE 2 7.232 -1.739 1.942 12 HG23 ILE 2 3HG2 ILE 2 7.822 -0.132 1.528 13 HD11 ILE 2 3HD1 ILE 2 10.551 -2.446 -0.249 14 HD12 ILE 2 1HD1 ILE 2 9.774 -0.877 0.230 15 HD13 ILE 2 2HD1 ILE 2 9.745 -2.275 1.306 16 H VAL 3 H VAL 3 4.851 -2.527 1.406 17 HA VAL 3 HA VAL 3 5.760 -5.217 1.369 18 HB VAL 3 HB VAL 3 3.425 -4.102 2.996 19 HG11 VAL 3 1HG1 VAL 3 3.822 -5.974 4.530 20 HG12 VAL 3 2HG1 VAL 3 3.871 -6.682 2.900 21 HG13 VAL 3 3HG1 VAL 3 5.380 -6.375 3.737 22 HG21 VAL 3 3HG2 VAL 3 5.191 -3.695 4.782 23 HG22 VAL 3 1HG2 VAL 3 6.405 -4.044 3.507 24 HG23 VAL 3 2HG2 VAL 3 5.292 -2.647 3.336 25 H GLU 4 H GLU 4 2.471 -3.802 0.665 26 HA GLU 4 HA GLU 4 1.431 -6.481 0.284 27 HB2 GLU 4 1HB GLU 4 -0.572 -5.387 -0.482 28 HB3 GLU 4 2HB GLU 4 0.058 -4.515 0.908 29 HG2 GLU 4 1HG GLU 4 -0.701 -2.864 -0.438 30 HG3 GLU 4 2HG GLU 4 1.030 -2.908 -0.806 31 HE2 GLU 4 HE2 GLU 4 -0.029 -2.885 -3.969 32 H GLN 5 H GLN 5 2.997 -4.079 -1.903 33 HA GLN 5 HA GLN 5 2.199 -5.462 -4.302 34 HB2 GLN 5 1HB GLN 5 3.103 -3.106 -4.021 35 HB3 GLN 5 2HB GLN 5 4.698 -3.767 -3.833 36 HG2 GLN 5 1HG GLN 5 4.549 -4.726 -6.070 37 HG3 GLN 5 2HG GLN 5 2.874 -4.194 -6.237 38 HE21 GLN 5 2HE2 GLN 5 3.140 -2.911 -8.043 39 HE22 GLN 5 1HE2 GLN 5 4.083 -1.420 -7.909 40 H CYS 6 H CYS 6 5.135 -5.741 -2.159 41 HA CYS 6 HA CYS 6 6.363 -7.744 -3.817 42 HB2 CYS 6 1HB CYS 6 7.406 -6.384 -1.846 43 HB3 CYS 6 2HB CYS 6 6.748 -7.626 -0.802 44 H CYS 7 H CYS 7 3.915 -7.910 -1.217 45 HA CYS 7 HA CYS 7 4.060 -10.760 -0.908 46 HB2 CYS 7 1HB CYS 7 3.265 -9.021 0.768 47 HB3 CYS 7 2HB CYS 7 1.796 -8.851 -0.224 48 H THR 8 H THR 8 2.201 -8.589 -3.042 49 HA THR 8 HA THR 8 0.523 -10.826 -3.940 50 HB THR 8 HB THR 8 -0.604 -8.996 -5.347 51 HG1 THR 8 HG1 THR 8 0.897 -7.178 -3.780 52 HG21 THR 8 1HG2 THR 8 -1.672 -9.422 -3.275 53 HG22 THR 8 2HG2 THR 8 -1.460 -7.675 -3.360 54 HG23 THR 8 3HG2 THR 8 -0.354 -8.639 -2.359 55 H SER 9 H SER 9 3.323 -9.019 -5.139 56 HA SER 9 HA SER 9 3.103 -10.602 -7.687 57 HB2 SER 9 1HB SER 9 4.178 -8.830 -8.871 58 HB3 SER 9 2HB SER 9 2.777 -8.174 -8.012 59 HG SER 9 HG SER 9 4.298 -7.520 -6.378 60 H ILE 10 H ILE 10 5.265 -11.173 -8.629 61 HA ILE 10 HA ILE 10 6.892 -12.212 -6.419 62 HB ILE 10 HB ILE 10 7.120 -12.335 -9.468 63 HG12 ILE 10 1HG1 ILE 10 5.268 -13.669 -8.355 64 HG13 ILE 10 2HG1 ILE 10 6.448 -14.627 -9.241 65 HG21 ILE 10 1HG2 ILE 10 8.997 -13.339 -7.290 66 HG22 ILE 10 2HG2 ILE 10 8.874 -14.204 -8.852 67 HG23 ILE 10 3HG2 ILE 10 9.382 -12.495 -8.833 68 HD11 ILE 10 3HD1 ILE 10 6.581 -14.350 -6.167 69 HD12 ILE 10 1HD1 ILE 10 5.788 -15.683 -6.985 70 HD13 ILE 10 2HD1 ILE 10 7.514 -15.463 -7.164 71 H CYS 11 H CYS 11 8.609 -11.318 -5.565 72 HA CYS 11 HA CYS 11 9.485 -8.691 -6.622 73 HB2 CYS 11 1HB CYS 11 9.807 -10.157 -4.060 74 HB3 CYS 11 2HB CYS 11 11.176 -9.195 -4.597 75 H SER 12 H SER 12 11.759 -8.299 -6.911 76 HA SER 12 HA SER 12 13.397 -10.627 -7.611 77 HB2 SER 12 1HB SER 12 13.162 -8.157 -9.307 78 HB3 SER 12 2HB SER 12 14.074 -9.657 -9.720 79 HG SER 12 HG SER 12 11.956 -10.681 -9.801 80 H LEU 13 H LEU 13 15.632 -10.223 -7.244 81 HA LEU 13 HA LEU 13 16.201 -8.427 -5.146 82 HB2 LEU 13 1HB LEU 13 17.640 -10.368 -5.906 83 HB3 LEU 13 2HB LEU 13 18.058 -9.438 -7.315 84 HG LEU 13 HG LEU 13 19.296 -7.792 -5.970 85 HD11 LEU 13 1HD1 LEU 13 19.657 -8.358 -3.471 86 HD12 LEU 13 2HD1 LEU 13 18.235 -9.414 -3.607 87 HD13 LEU 13 3HD1 LEU 13 18.084 -7.672 -3.879 88 HD21 LEU 13 3HD2 LEU 13 21.009 -9.340 -5.154 89 HD22 LEU 13 1HD2 LEU 13 20.456 -9.739 -6.744 90 HD23 LEU 13 2HD2 LEU 13 19.893 -10.695 -5.355 91 H TYR 14 H TYR 14 16.475 -8.001 -8.659 92 HA TYR 14 HA TYR 14 17.933 -5.644 -8.785 93 HB2 TYR 14 1HB TYR 14 17.181 -7.117 -10.659 94 HB3 TYR 14 2HB TYR 14 15.564 -6.423 -10.565 95 HD1 TYR 14 HD2 TYR 14 15.251 -3.969 -11.305 96 HD2 TYR 14 HD1 TYR 14 19.047 -6.007 -11.571 97 HE1 TYR 14 HE2 TYR 14 16.094 -2.136 -12.695 98 HE2 TYR 14 HE1 TYR 14 19.872 -4.132 -13.073 99 HH TYR 14 HH TYR 14 17.920 -1.282 -13.896 100 H GLN 15 H GLN 15 14.393 -6.022 -8.230 101 HA GLN 15 HA GLN 15 14.140 -3.101 -8.026 102 HB2 GLN 15 1HB GLN 15 12.315 -4.765 -8.740 103 HB3 GLN 15 2HB GLN 15 12.133 -5.154 -7.014 104 HG2 GLN 15 1HG GLN 15 11.597 -2.749 -6.537 105 HG3 GLN 15 2HG GLN 15 11.772 -2.361 -8.254 106 HE21 GLN 15 2HE2 GLN 15 10.260 -3.610 -9.703 107 HE22 GLN 15 1HE2 GLN 15 8.653 -3.937 -9.128 108 H LEU 16 H LEU 16 14.475 -5.876 -5.841 109 HA LEU 16 HA LEU 16 13.714 -4.589 -3.481 110 HB2 LEU 16 1HB LEU 16 14.396 -7.088 -4.083 111 HB3 LEU 16 2HB LEU 16 15.886 -6.580 -3.290 112 HG LEU 16 HG LEU 16 14.526 -5.819 -1.309 113 HD11 LEU 16 1HD1 LEU 16 12.243 -7.024 -1.156 114 HD12 LEU 16 2HD1 LEU 16 12.277 -7.096 -2.953 115 HD13 LEU 16 3HD1 LEU 16 12.333 -5.521 -2.078 116 HD21 LEU 16 3HD2 LEU 16 14.447 -8.753 -2.144 117 HD22 LEU 16 1HD2 LEU 16 14.092 -8.122 -0.489 118 HD23 LEU 16 2HD2 LEU 16 15.693 -7.882 -1.213 119 H GLU 17 H GLU 17 16.840 -4.699 -5.033 120 HA GLU 17 HA GLU 17 18.393 -3.437 -3.021 121 HB2 GLU 17 1HB GLU 17 18.519 -3.658 -6.031 122 HB3 GLU 17 2HB GLU 17 19.713 -2.683 -5.167 123 HG2 GLU 17 1HG GLU 17 20.559 -4.597 -4.041 124 HG3 GLU 17 2HG GLU 17 19.175 -5.579 -4.536 125 HE2 GLU 17 HE2 GLU 17 22.192 -5.084 -4.986 126 H ASN 18 H ASN 18 16.047 -2.084 -5.282 127 HA ASN 18 HA ASN 18 17.213 0.541 -5.308 128 HB2 ASN 18 1HB ASN 18 15.667 -0.169 -7.039 129 HB3 ASN 18 2HB ASN 18 14.381 -0.356 -5.849 130 HD21 ASN 18 2HD2 ASN 18 16.143 1.910 -7.762 131 HD22 ASN 18 1HD2 ASN 18 15.143 3.319 -7.384 132 H TYR 19 H TYR 19 15.217 -1.274 -3.117 133 HA TYR 19 HA TYR 19 14.153 1.055 -1.749 134 HB2 TYR 19 1HB TYR 19 14.098 -1.917 -1.105 135 HB3 TYR 19 2HB TYR 19 13.258 -0.659 -0.160 136 HD1 TYR 19 HD1 TYR 19 11.381 0.739 -1.314 137 HD2 TYR 19 HD2 TYR 19 13.018 -2.868 -3.019 138 HE1 TYR 19 HE1 TYR 19 9.362 0.479 -2.757 139 HE2 TYR 19 HE2 TYR 19 10.959 -3.048 -4.501 140 HH TYR 19 HH TYR 19 9.034 -2.075 -5.149 141 H CYS 20 H CYS 20 17.076 -0.496 -1.879 142 HA CYS 20 HA CYS 20 17.873 0.211 0.939 143 HB2 CYS 20 1HB CYS 20 18.633 -2.030 -0.933 144 HB3 CYS 20 2HB CYS 20 19.763 -1.525 0.325 145 H ASN 21 H ASN 21 17.737 1.525 -1.892 146 HA ASN 21 HA ASN 21 20.572 1.929 -2.648 147 HB2 ASN 21 1HB ASN 21 18.668 2.044 -4.337 148 HB3 ASN 21 2HB ASN 21 18.094 3.485 -3.488 149 HD21 ASN 21 2HD2 ASN 21 18.289 4.773 -5.250 150 HD22 ASN 21 1HD2 ASN 21 19.813 5.261 -5.862 151 HXT ASN 21 H02 ASN 21 21.332 4.468 -0.773 152 H1 PHE 31 2H0 PHE 31 19.827 -15.294 -6.983 153 H2 PHE 31 1H0 PHE 31 20.509 -14.530 -5.736 154 HA PHE 31 HA PHE 31 18.637 -14.869 -4.291 155 HB2 PHE 31 1HB PHE 31 19.062 -12.822 -5.796 156 HB3 PHE 31 2HB PHE 31 17.959 -13.487 -7.010 157 HD1 PHE 31 HD2 PHE 31 18.332 -12.096 -3.593 158 HD2 PHE 31 HD1 PHE 31 15.411 -13.401 -6.575 159 HE1 PHE 31 HE2 PHE 31 16.577 -11.008 -2.339 160 HE2 PHE 31 HE1 PHE 31 13.642 -12.268 -5.227 161 HZ PHE 31 HZ PHE 31 14.200 -11.116 -3.098 162 H VAL 32 H VAL 32 16.424 -15.466 -4.058 163 HA VAL 32 HA VAL 32 15.515 -17.446 -6.073 164 HB VAL 32 HB VAL 32 14.356 -18.690 -4.234 165 HG11 VAL 32 1HG1 VAL 32 16.517 -19.517 -5.151 166 HG12 VAL 32 2HG1 VAL 32 17.416 -18.526 -3.978 167 HG13 VAL 32 3HG1 VAL 32 16.361 -19.832 -3.400 168 HG21 VAL 32 3HG2 VAL 32 16.152 -17.080 -2.312 169 HG22 VAL 32 1HG2 VAL 32 14.384 -16.838 -2.491 170 HG23 VAL 32 2HG2 VAL 32 15.018 -18.366 -1.898 171 H ASN 33 H ASN 33 13.170 -17.513 -6.410 172 HA ASN 33 HA ASN 33 12.018 -14.904 -5.745 173 HB2 ASN 33 1HB ASN 33 10.532 -15.163 -7.498 174 HB3 ASN 33 2HB ASN 33 12.019 -15.884 -8.153 175 HD21 ASN 33 2HD2 ASN 33 12.211 -18.236 -8.083 176 HD22 ASN 33 1HD2 ASN 33 10.787 -19.205 -8.308 177 H GLN 34 H GLN 34 10.271 -14.533 -4.523 178 HA GLN 34 HA GLN 34 8.440 -16.592 -3.775 179 HB2 GLN 34 1HB GLN 34 10.546 -16.999 -2.288 180 HB3 GLN 34 2HB GLN 34 10.210 -15.439 -1.534 181 HG2 GLN 34 1HG GLN 34 8.000 -16.275 -0.805 182 HG3 GLN 34 2HG GLN 34 8.348 -17.810 -1.609 183 HE21 GLN 34 2HE2 GLN 34 9.094 -19.378 -0.324 184 HE22 GLN 34 1HE2 GLN 34 9.984 -19.131 1.165 185 H HIS 35 H HIS 35 6.727 -15.598 -2.401 186 HA HIS 35 HA HIS 35 6.372 -12.709 -2.829 187 HB2 HIS 35 1HB HIS 35 4.551 -14.873 -1.835 188 HB3 HIS 35 2HB HIS 35 4.164 -13.147 -1.729 189 HD1 HIS 35 HD1 HIS 35 4.535 -11.934 -4.296 190 HD2 HIS 35 HD2 HIS 35 3.331 -15.944 -4.061 191 HE1 HIS 35 HE1 HIS 35 3.461 -12.547 -6.544 192 HE2 HIS 35 HE2 HIS 35 2.813 -14.970 -6.377 193 H LEU 36 H LEU 36 7.357 -11.408 -1.329 194 HA LEU 36 HA LEU 36 7.783 -12.539 1.362 195 HB2 LEU 36 1HB LEU 36 8.835 -10.048 0.072 196 HB3 LEU 36 2HB LEU 36 9.208 -10.593 1.714 197 HG LEU 36 HG LEU 36 9.885 -12.113 -0.843 198 HD11 LEU 36 1HD1 LEU 36 11.634 -10.316 0.915 199 HD12 LEU 36 2HD1 LEU 36 11.139 -9.960 -0.768 200 HD13 LEU 36 3HD1 LEU 36 12.226 -11.334 -0.436 201 HD21 LEU 36 3HD2 LEU 36 9.780 -13.576 1.188 202 HD22 LEU 36 1HD2 LEU 36 10.836 -12.436 2.040 203 HD23 LEU 36 2HD2 LEU 36 11.448 -13.354 0.637 204 H CYS 37 H CYS 37 6.372 -12.166 2.788 205 HA CYS 37 HA CYS 37 4.737 -9.648 2.610 206 HB2 CYS 37 1HB CYS 37 3.971 -12.340 3.820 207 HB3 CYS 37 2HB CYS 37 2.912 -10.966 3.563 208 H GLY 38 H GLY 38 3.968 -8.725 4.476 209 HA2 GLY 38 1HA GLY 38 3.989 -8.072 6.672 210 HA3 GLY 38 2HA GLY 38 4.240 -9.773 7.103 211 H SER 39 H SER 39 5.683 -9.584 8.791 212 HA SER 39 HA SER 39 7.896 -7.729 8.752 213 HB2 SER 39 1HB SER 39 6.850 -8.763 10.725 214 HB3 SER 39 2HB SER 39 7.401 -10.369 10.180 215 HG SER 39 HG SER 39 8.915 -8.158 11.115 216 H HIS 40 H HIS 40 7.482 -10.886 7.211 217 HA HIS 40 HA HIS 40 10.241 -11.563 7.068 218 HB2 HIS 40 1HB HIS 40 7.968 -12.240 5.113 219 HB3 HIS 40 2HB HIS 40 9.546 -13.016 5.138 220 HD1 HIS 40 HD1 HIS 40 6.623 -14.306 5.675 221 HD2 HIS 40 HD2 HIS 40 9.602 -13.468 8.504 222 HE1 HIS 40 HE1 HIS 40 6.169 -15.830 7.646 223 HE2 HIS 40 HE2 HIS 40 7.987 -15.345 9.328 224 H LEU 41 H LEU 41 8.172 -9.397 5.201 225 HA LEU 41 HA LEU 41 9.993 -9.078 2.958 226 HB2 LEU 41 1HB LEU 41 7.582 -8.448 2.900 227 HB3 LEU 41 2HB LEU 41 7.838 -7.277 4.166 228 HG LEU 41 HG LEU 41 7.492 -6.399 1.814 229 HD11 LEU 41 1HD1 LEU 41 8.421 -5.022 3.702 230 HD12 LEU 41 2HD1 LEU 41 8.858 -4.457 2.112 231 HD13 LEU 41 3HD1 LEU 41 10.025 -5.312 3.094 232 HD21 LEU 41 3HD2 LEU 41 9.360 -6.175 0.315 233 HD22 LEU 41 1HD2 LEU 41 9.020 -7.912 0.617 234 HD23 LEU 41 2HD2 LEU 41 10.420 -7.124 1.445 235 H VAL 42 H VAL 42 9.355 -6.975 5.845 236 HA VAL 42 HA VAL 42 11.530 -5.252 5.183 237 HB VAL 42 HB VAL 42 9.612 -4.609 6.576 238 HG11 VAL 42 1HG1 VAL 42 9.548 -5.009 8.972 239 HG12 VAL 42 2HG1 VAL 42 9.458 -6.553 8.084 240 HG13 VAL 42 3HG1 VAL 42 10.983 -6.051 8.861 241 HG21 VAL 42 3HG2 VAL 42 11.557 -3.152 6.499 242 HG22 VAL 42 1HG2 VAL 42 10.836 -3.099 8.106 243 HG23 VAL 42 2HG2 VAL 42 12.315 -4.026 7.795 244 H GLU 43 H GLU 43 11.421 -8.259 7.051 245 HA GLU 43 HA GLU 43 14.046 -7.946 8.171 246 HB2 GLU 43 1HB GLU 43 12.336 -9.578 8.905 247 HB3 GLU 43 2HB GLU 43 12.634 -10.451 7.395 248 HG2 GLU 43 1HG GLU 43 14.861 -10.915 8.015 249 HG3 GLU 43 2HG GLU 43 14.692 -9.966 9.495 250 HE2 GLU 43 HE2 GLU 43 12.145 -12.889 9.737 251 H ALA 44 H ALA 44 12.908 -9.539 5.110 252 HA ALA 44 HA ALA 44 15.529 -10.393 4.241 253 HB1 ALA 44 3HB ALA 44 13.329 -11.147 3.256 254 HB2 ALA 44 1HB ALA 44 13.140 -9.530 2.565 255 HB3 ALA 44 2HB ALA 44 14.493 -10.550 2.045 256 H LEU 45 H LEU 45 13.623 -7.381 3.858 257 HA LEU 45 HA LEU 45 15.424 -6.177 1.966 258 HB2 LEU 45 1HB LEU 45 12.983 -5.690 2.627 259 HB3 LEU 45 2HB LEU 45 13.636 -4.642 3.898 260 HG LEU 45 HG LEU 45 14.920 -4.043 1.415 261 HD11 LEU 45 1HD1 LEU 45 11.884 -4.144 1.267 262 HD12 LEU 45 2HD1 LEU 45 13.002 -5.201 0.393 263 HD13 LEU 45 3HD1 LEU 45 12.959 -3.500 0.040 264 HD21 LEU 45 3HD2 LEU 45 13.734 -1.856 1.686 265 HD22 LEU 45 1HD2 LEU 45 14.685 -2.355 3.074 266 HD23 LEU 45 2HD2 LEU 45 12.884 -2.504 3.101 267 H TYR 46 H TYR 46 15.247 -6.133 5.541 268 HA TYR 46 HA TYR 46 17.394 -4.274 5.789 269 HB2 TYR 46 1HB TYR 46 15.998 -4.584 7.642 270 HB3 TYR 46 2HB TYR 46 16.273 -6.334 7.686 271 HD1 TYR 46 HD1 TYR 46 18.268 -3.060 7.653 272 HD2 TYR 46 HD2 TYR 46 17.948 -7.098 9.106 273 HE1 TYR 46 HE1 TYR 46 20.279 -2.729 8.997 274 HE2 TYR 46 HE2 TYR 46 19.968 -6.746 10.554 275 HH TYR 46 HH TYR 46 21.731 -5.250 11.070 276 H LEU 47 H LEU 47 17.235 -7.877 5.577 277 HA LEU 47 HA LEU 47 20.036 -8.225 6.174 278 HB2 LEU 47 1HB LEU 47 18.099 -9.840 4.612 279 HB3 LEU 47 2HB LEU 47 19.777 -10.365 4.903 280 HG LEU 47 HG LEU 47 17.718 -9.811 7.073 281 HD11 LEU 47 1HD1 LEU 47 16.958 -11.579 5.644 282 HD12 LEU 47 2HD1 LEU 47 17.478 -12.221 7.160 283 HD13 LEU 47 3HD1 LEU 47 18.527 -12.388 5.779 284 HD21 LEU 47 3HD2 LEU 47 19.275 -11.103 8.505 285 HD22 LEU 47 1HD2 LEU 47 20.014 -9.629 7.829 286 HD23 LEU 47 2HD2 LEU 47 20.390 -11.242 7.149 287 H VAL 48 H VAL 48 18.403 -7.593 3.038 288 HA VAL 48 HA VAL 48 20.945 -7.822 1.660 289 HB VAL 48 HB VAL 48 18.733 -8.159 0.465 290 HG11 VAL 48 1HG1 VAL 48 17.501 -6.228 -0.416 291 HG12 VAL 48 2HG1 VAL 48 17.444 -6.240 1.320 292 HG13 VAL 48 3HG1 VAL 48 18.548 -5.104 0.474 293 HG21 VAL 48 3HG2 VAL 48 20.475 -5.970 -0.768 294 HG22 VAL 48 1HG2 VAL 48 20.912 -7.696 -0.731 295 HG23 VAL 48 2HG2 VAL 48 19.489 -7.182 -1.598 296 H CYS 49 H CYS 49 19.103 -5.156 3.258 297 HA CYS 49 HA CYS 49 20.692 -3.061 2.118 298 HB2 CYS 49 1HB CYS 49 19.006 -3.490 4.585 299 HB3 CYS 49 2HB CYS 49 20.032 -2.077 4.558 300 H GLY 50 H GLY 50 21.014 -5.081 5.044 301 HA2 GLY 50 1HA GLY 50 22.934 -5.763 6.157 302 HA3 GLY 50 2HA GLY 50 23.847 -4.883 4.948 303 H GLU 51 H GLU 51 22.096 -2.393 5.648 304 HA GLU 51 HA GLU 51 23.301 -1.692 8.255 305 HB2 GLU 51 1HB GLU 51 23.669 -0.082 5.723 306 HB3 GLU 51 2HB GLU 51 24.099 0.429 7.346 307 HG2 GLU 51 1HG GLU 51 25.725 -1.421 7.451 308 HG3 GLU 51 2HG GLU 51 25.277 -1.888 5.832 309 HE2 GLU 51 HE2 GLU 51 27.638 -0.817 7.139 310 H GLN 52 H GLN 52 22.416 0.690 8.701 311 HA GLN 52 HA GLN 52 20.643 2.033 9.168 312 HB2 GLN 52 1HB GLN 52 19.735 1.218 6.383 313 HB3 GLN 52 2HB GLN 52 19.076 2.595 7.334 314 HG2 GLN 52 1HG GLN 52 21.973 2.377 6.482 315 HG3 GLN 52 2HG GLN 52 20.725 3.163 5.537 316 HE21 GLN 52 2HE2 GLN 52 20.062 5.192 6.037 317 HE22 GLN 52 1HE2 GLN 52 20.646 6.030 7.461 318 H GLY 53 H GLY 53 20.187 -0.179 10.554 319 HA2 GLY 53 1HA GLY 53 17.950 -1.663 9.791 320 HA3 GLY 53 2HA GLY 53 18.604 -1.581 11.426 321 H PHE 54 H PHE 54 15.865 -1.484 9.924 322 HA PHE 54 HA PHE 54 14.744 1.095 10.501 323 HB2 PHE 54 1HB PHE 54 13.332 -1.613 10.286 324 HB3 PHE 54 2HB PHE 54 12.665 -0.033 9.866 325 HD1 PHE 54 HD2 PHE 54 14.304 1.322 8.038 326 HD2 PHE 54 HD1 PHE 54 14.044 -2.947 8.512 327 HE1 PHE 54 HE2 PHE 54 15.124 1.010 5.754 328 HE2 PHE 54 HE1 PHE 54 14.735 -3.270 6.134 329 HZ PHE 54 HZ PHE 54 15.318 -1.261 4.753 330 H PHE 55 H PHE 55 15.192 -1.884 12.417 331 HA PHE 55 HA PHE 55 14.307 -0.428 14.816 332 HB2 PHE 55 1HB PHE 55 12.514 -2.324 13.489 333 HB3 PHE 55 2HB PHE 55 13.028 -2.920 15.075 334 HD1 PHE 55 HD1 PHE 55 12.791 -1.162 17.059 335 HD2 PHE 55 HD2 PHE 55 10.825 -0.943 13.229 336 HE1 PHE 55 HE1 PHE 55 11.035 0.235 18.127 337 HE2 PHE 55 HE2 PHE 55 9.023 0.535 14.275 338 HZ PHE 55 HZ PHE 55 9.181 1.144 16.749 339 H TYR 56 H TYR 56 14.963 -1.415 16.744 340 HA TYR 56 HA TYR 56 16.452 -3.970 16.516 341 HB2 TYR 56 1HB TYR 56 18.101 -2.165 16.042 342 HB3 TYR 56 2HB TYR 56 17.622 -1.327 17.515 343 HD1 TYR 56 HD1 TYR 56 18.887 -4.605 16.285 344 HD2 TYR 56 HD2 TYR 56 18.868 -1.794 19.534 345 HE1 TYR 56 HE1 TYR 56 20.607 -5.973 17.536 346 HE2 TYR 56 HE2 TYR 56 20.513 -3.144 20.735 347 HH TYR 56 HH TYR 56 21.944 -5.014 20.683 348 H THR 57 H THR 57 16.644 -5.080 18.462 349 HA THR 57 HA THR 57 15.064 -3.917 20.731 350 HB THR 57 HB THR 57 15.486 -6.856 20.073 351 HG1 THR 57 HG1 THR 57 13.929 -5.201 18.907 352 HG21 THR 57 1HG2 THR 57 15.193 -6.234 22.540 353 HG22 THR 57 2HG2 THR 57 13.937 -7.264 21.918 354 HG23 THR 57 3HG2 THR 57 13.631 -5.514 22.113 355 HA PRO 58 HA PRO 58 19.314 -4.325 22.359 356 HB2 PRO 58 1HB PRO 58 19.241 -2.332 24.194 357 HB3 PRO 58 2HB PRO 58 19.502 -2.044 22.464 358 HG2 PRO 58 1HG PRO 58 16.961 -1.817 24.052 359 HG3 PRO 58 2HG PRO 58 17.652 -0.670 22.905 360 HD2 PRO 58 1HD PRO 58 15.698 -2.373 22.174 361 HD3 PRO 58 2HD PRO 58 16.964 -1.887 21.022 362 H LYS 59 H LYS 59 18.874 -6.404 23.308 363 HA LYS 59 HA LYS 59 18.434 -6.294 26.217 364 HB2 LYS 59 1HB LYS 59 16.204 -6.689 24.838 365 HB3 LYS 59 2HB LYS 59 16.856 -8.293 24.553 366 HG2 LYS 59 1HG LYS 59 17.062 -8.587 27.082 367 HG3 LYS 59 2HG LYS 59 16.189 -7.082 27.271 368 HD2 LYS 59 1HD LYS 59 15.129 -9.541 25.724 369 HD3 LYS 59 2HD LYS 59 14.777 -9.113 27.446 370 HE2 LYS 59 1HE LYS 59 13.847 -6.868 26.613 371 HE3 LYS 59 2HE LYS 59 14.090 -7.425 24.970 372 HZ1 LYS 59 3HZ LYS 59 11.853 -7.849 25.461 373 HZ2 LYS 59 1HZ LYS 59 12.196 -8.437 26.913 374 HZ3 LYS 59 2HZ LYS 59 12.561 -9.302 25.562 375 H THR 60 H THR 60 20.740 -6.592 24.908 376 HA THR 60 HA THR 60 22.671 -7.674 24.943 377 HB THR 60 HB THR 60 21.510 -9.907 26.572 378 HG1 THR 60 HG1 THR 60 22.066 -8.319 28.384 379 HG21 THR 60 1HG2 THR 60 23.651 -9.943 27.678 380 HG22 THR 60 2HG2 THR 60 24.112 -8.341 27.003 381 HG23 THR 60 3HG2 THR 60 24.025 -9.781 25.938 382 HXT THR 60 H02 THR 60 20.330 -10.051 24.768 Start of MODEL 11 1 H1 GLY 1 2H0 GLY 1 4.475 2.478 -3.766 2 H2 GLY 1 1H0 GLY 1 3.284 1.425 -4.285 3 HA2 GLY 1 1HA GLY 1 4.000 2.092 -1.490 4 HA3 GLY 1 2HA GLY 1 2.600 1.072 -1.994 5 H ILE 2 H ILE 2 5.675 0.972 -0.830 6 HA ILE 2 HA ILE 2 6.832 -1.185 -2.172 7 HB ILE 2 HB ILE 2 8.126 0.135 -0.600 8 HG12 ILE 2 1HG1 ILE 2 7.967 -2.634 0.675 9 HG13 ILE 2 2HG1 ILE 2 8.658 -2.347 -0.938 10 HG21 ILE 2 1HG2 ILE 2 7.890 0.055 1.880 11 HG22 ILE 2 2HG2 ILE 2 6.381 0.705 1.130 12 HG23 ILE 2 3HG2 ILE 2 6.443 -0.963 1.715 13 HD11 ILE 2 3HD1 ILE 2 10.284 -0.762 0.150 14 HD12 ILE 2 1HD1 ILE 2 9.631 -1.389 1.711 15 HD13 ILE 2 2HD1 ILE 2 10.455 -2.507 0.568 16 H VAL 3 H VAL 3 4.398 -1.390 0.484 17 HA VAL 3 HA VAL 3 4.633 -4.232 0.741 18 HB VAL 3 HB VAL 3 2.211 -2.480 1.119 19 HG11 VAL 3 1HG1 VAL 3 2.756 -5.249 2.240 20 HG12 VAL 3 2HG1 VAL 3 1.331 -4.258 2.578 21 HG13 VAL 3 3HG1 VAL 3 1.606 -4.912 0.960 22 HG21 VAL 3 3HG2 VAL 3 2.944 -2.661 3.530 23 HG22 VAL 3 1HG2 VAL 3 4.463 -3.337 2.957 24 HG23 VAL 3 2HG2 VAL 3 3.977 -1.697 2.509 25 H GLU 4 H GLU 4 2.216 -2.302 -1.125 26 HA GLU 4 HA GLU 4 1.008 -4.661 -2.081 27 HB2 GLU 4 1HB GLU 4 -0.381 -3.302 -3.455 28 HB3 GLU 4 2HB GLU 4 -0.156 -2.445 -1.898 29 HG2 GLU 4 1HG GLU 4 1.511 -0.974 -2.941 30 HG3 GLU 4 2HG GLU 4 1.244 -1.729 -4.506 31 HE2 GLU 4 HE2 GLU 4 -0.890 0.849 -5.003 32 H GLN 5 H GLN 5 3.773 -2.833 -3.310 33 HA GLN 5 HA GLN 5 3.703 -4.012 -5.904 34 HB2 GLN 5 1HB GLN 5 4.865 -1.932 -5.207 35 HB3 GLN 5 2HB GLN 5 6.087 -2.912 -4.366 36 HG2 GLN 5 1HG GLN 5 7.057 -2.311 -6.496 37 HG3 GLN 5 2HG GLN 5 6.502 -4.001 -6.711 38 HE21 GLN 5 2HE2 GLN 5 6.154 -0.683 -7.650 39 HE22 GLN 5 1HE2 GLN 5 4.952 -1.010 -8.924 40 H CYS 6 H CYS 6 5.364 -4.822 -2.833 41 HA CYS 6 HA CYS 6 6.805 -7.044 -4.020 42 HB2 CYS 6 1HB CYS 6 7.446 -5.636 -2.049 43 HB3 CYS 6 2HB CYS 6 6.159 -6.431 -1.140 44 H CYS 7 H CYS 7 3.917 -6.771 -1.965 45 HA CYS 7 HA CYS 7 3.724 -9.605 -1.557 46 HB2 CYS 7 1HB CYS 7 1.766 -7.411 -0.909 47 HB3 CYS 7 2HB CYS 7 1.665 -9.096 -0.337 48 H THR 8 H THR 8 3.011 -8.159 -4.402 49 HA THR 8 HA THR 8 0.387 -9.540 -4.695 50 HB THR 8 HB THR 8 0.581 -7.104 -5.278 51 HG1 THR 8 HG1 THR 8 -0.381 -7.509 -7.430 52 HG21 THR 8 1HG2 THR 8 2.037 -8.059 -7.760 53 HG22 THR 8 2HG2 THR 8 2.876 -7.385 -6.329 54 HG23 THR 8 3HG2 THR 8 1.675 -6.417 -7.226 55 H SER 9 H SER 9 3.669 -10.062 -5.441 56 HA SER 9 HA SER 9 2.891 -12.407 -7.100 57 HB2 SER 9 1HB SER 9 3.117 -10.404 -8.700 58 HB3 SER 9 2HB SER 9 4.865 -10.409 -8.270 59 HG SER 9 HG SER 9 3.447 -12.159 -9.859 60 H ILE 10 H ILE 10 5.481 -13.043 -8.045 61 HA ILE 10 HA ILE 10 6.950 -13.640 -5.555 62 HB ILE 10 HB ILE 10 7.719 -13.841 -8.496 63 HG12 ILE 10 1HG1 ILE 10 6.152 -15.562 -7.512 64 HG13 ILE 10 2HG1 ILE 10 7.607 -16.219 -8.266 65 HG21 ILE 10 1HG2 ILE 10 9.457 -14.189 -6.008 66 HG22 ILE 10 2HG2 ILE 10 9.836 -15.088 -7.472 67 HG23 ILE 10 3HG2 ILE 10 9.845 -13.354 -7.509 68 HD11 ILE 10 3HD1 ILE 10 7.483 -15.856 -5.265 69 HD12 ILE 10 1HD1 ILE 10 6.939 -17.335 -6.091 70 HD13 ILE 10 2HD1 ILE 10 8.635 -16.824 -6.206 71 H CYS 11 H CYS 11 8.351 -12.297 -4.568 72 HA CYS 11 HA CYS 11 8.567 -9.578 -5.666 73 HB2 CYS 11 1HB CYS 11 7.828 -10.261 -3.280 74 HB3 CYS 11 2HB CYS 11 9.533 -10.625 -2.971 75 H SER 12 H SER 12 10.300 -9.298 -7.011 76 HA SER 12 HA SER 12 12.551 -11.103 -6.841 77 HB2 SER 12 1HB SER 12 13.469 -9.927 -8.722 78 HB3 SER 12 2HB SER 12 11.799 -10.344 -9.028 79 HG SER 12 HG SER 12 11.867 -8.258 -9.651 80 H LEU 13 H LEU 13 14.775 -10.514 -6.379 81 HA LEU 13 HA LEU 13 15.088 -8.511 -4.334 82 HB2 LEU 13 1HB LEU 13 17.176 -9.904 -5.971 83 HB3 LEU 13 2HB LEU 13 17.436 -8.978 -4.495 84 HG LEU 13 HG LEU 13 16.151 -11.676 -4.764 85 HD11 LEU 13 1HD1 LEU 13 18.557 -11.384 -4.433 86 HD12 LEU 13 2HD1 LEU 13 17.786 -12.225 -3.103 87 HD13 LEU 13 3HD1 LEU 13 18.247 -10.525 -2.914 88 HD21 LEU 13 3HD2 LEU 13 15.424 -11.666 -2.477 89 HD22 LEU 13 1HD2 LEU 13 14.589 -10.358 -3.316 90 HD23 LEU 13 2HD2 LEU 13 15.983 -9.973 -2.242 91 H TYR 14 H TYR 14 15.391 -8.538 -7.830 92 HA TYR 14 HA TYR 14 16.837 -6.107 -8.071 93 HB2 TYR 14 1HB TYR 14 16.381 -7.702 -9.881 94 HB3 TYR 14 2HB TYR 14 14.715 -7.098 -9.930 95 HD1 TYR 14 HD1 TYR 14 18.254 -6.132 -10.373 96 HD2 TYR 14 HD2 TYR 14 14.200 -4.954 -10.969 97 HE1 TYR 14 HE1 TYR 14 18.956 -4.371 -12.008 98 HE2 TYR 14 HE2 TYR 14 14.954 -3.148 -12.566 99 HH TYR 14 HH TYR 14 16.717 -2.119 -13.527 100 H GLN 15 H GLN 15 13.316 -6.783 -7.713 101 HA GLN 15 HA GLN 15 12.628 -3.992 -7.989 102 HB2 GLN 15 1HB GLN 15 11.003 -5.947 -8.233 103 HB3 GLN 15 2HB GLN 15 11.107 -6.163 -6.490 104 HG2 GLN 15 1HG GLN 15 9.132 -4.922 -6.785 105 HG3 GLN 15 2HG GLN 15 10.297 -3.685 -6.321 106 HE21 GLN 15 2HE2 GLN 15 8.156 -4.793 -8.708 107 HE22 GLN 15 1HE2 GLN 15 8.415 -3.545 -9.838 108 H LEU 16 H LEU 16 13.310 -6.198 -5.284 109 HA LEU 16 HA LEU 16 12.721 -4.437 -3.106 110 HB2 LEU 16 1HB LEU 16 13.213 -6.991 -3.059 111 HB3 LEU 16 2HB LEU 16 14.893 -6.542 -3.149 112 HG LEU 16 HG LEU 16 14.650 -5.306 -1.004 113 HD11 LEU 16 1HD1 LEU 16 12.280 -4.757 -0.966 114 HD12 LEU 16 2HD1 LEU 16 12.654 -5.774 0.449 115 HD13 LEU 16 3HD1 LEU 16 11.834 -6.490 -0.999 116 HD21 LEU 16 3HD2 LEU 16 15.471 -7.627 -0.877 117 HD22 LEU 16 1HD2 LEU 16 13.813 -8.256 -0.894 118 HD23 LEU 16 2HD2 LEU 16 14.410 -7.330 0.481 119 H GLU 17 H GLU 17 15.688 -4.893 -4.979 120 HA GLU 17 HA GLU 17 17.397 -3.205 -3.361 121 HB2 GLU 17 1HB GLU 17 17.598 -4.141 -6.253 122 HB3 GLU 17 2HB GLU 17 18.834 -3.102 -5.446 123 HG2 GLU 17 1HG GLU 17 19.568 -4.795 -4.020 124 HG3 GLU 17 2HG GLU 17 18.111 -5.758 -4.186 125 HE2 GLU 17 HE2 GLU 17 20.335 -4.453 -6.362 126 H ASN 18 H ASN 18 14.856 -2.439 -5.702 127 HA ASN 18 HA ASN 18 16.055 0.151 -6.292 128 HB2 ASN 18 1HB ASN 18 14.216 -0.978 -7.627 129 HB3 ASN 18 2HB ASN 18 13.093 -0.569 -6.300 130 HD21 ASN 18 2HD2 ASN 18 11.908 1.044 -7.064 131 HD22 ASN 18 1HD2 ASN 18 12.563 2.503 -7.825 132 H TYR 19 H TYR 19 14.316 -1.085 -3.557 133 HA TYR 19 HA TYR 19 13.626 1.589 -2.616 134 HB2 TYR 19 1HB TYR 19 13.702 -1.080 -1.077 135 HB3 TYR 19 2HB TYR 19 12.886 0.427 -0.572 136 HD1 TYR 19 HD1 TYR 19 11.075 1.458 -2.227 137 HD2 TYR 19 HD2 TYR 19 12.356 -2.660 -2.311 138 HE1 TYR 19 HE1 TYR 19 8.926 0.760 -3.376 139 HE2 TYR 19 HE2 TYR 19 10.171 -3.316 -3.465 140 HH TYR 19 HH TYR 19 7.649 -0.886 -4.038 141 H CYS 20 H CYS 20 16.410 -0.215 -2.907 142 HA CYS 20 HA CYS 20 17.875 1.247 -0.685 143 HB2 CYS 20 1HB CYS 20 18.016 -1.318 -0.868 144 HB3 CYS 20 2HB CYS 20 18.898 -1.079 -2.380 145 H ASN 21 H ASN 21 16.780 2.177 -3.331 146 HA ASN 21 HA ASN 21 17.216 3.255 -5.202 147 HB2 ASN 21 1HB ASN 21 19.647 4.399 -3.771 148 HB3 ASN 21 2HB ASN 21 18.758 5.135 -5.086 149 HD21 ASN 21 2HD2 ASN 21 19.333 6.030 -2.316 150 HD22 ASN 21 1HD2 ASN 21 17.761 6.315 -1.625 151 HXT ASN 21 H02 ASN 21 20.784 2.271 -6.277 152 H1 PHE 31 2H0 PHE 31 19.973 -13.977 -3.927 153 H2 PHE 31 1H0 PHE 31 19.403 -13.259 -2.523 154 HA PHE 31 HA PHE 31 19.777 -16.155 -2.988 155 HB2 PHE 31 1HB PHE 31 18.417 -16.478 -1.093 156 HB3 PHE 31 2HB PHE 31 19.569 -15.240 -0.650 157 HD1 PHE 31 HD1 PHE 31 18.864 -12.829 -0.395 158 HD2 PHE 31 HD2 PHE 31 16.045 -15.954 -1.254 159 HE1 PHE 31 HE1 PHE 31 16.967 -11.351 0.293 160 HE2 PHE 31 HE2 PHE 31 14.153 -14.438 -0.644 161 HZ PHE 31 HZ PHE 31 14.624 -12.196 0.165 162 H VAL 32 H VAL 32 17.431 -17.091 -2.751 163 HA VAL 32 HA VAL 32 16.554 -16.744 -5.463 164 HB VAL 32 HB VAL 32 16.625 -18.982 -4.537 165 HG11 VAL 32 1HG1 VAL 32 16.485 -18.694 -2.148 166 HG12 VAL 32 2HG1 VAL 32 14.903 -17.867 -2.239 167 HG13 VAL 32 3HG1 VAL 32 15.020 -19.606 -2.547 168 HG21 VAL 32 3HG2 VAL 32 13.676 -18.334 -4.628 169 HG22 VAL 32 1HG2 VAL 32 14.699 -18.397 -6.086 170 HG23 VAL 32 2HG2 VAL 32 14.486 -19.834 -5.071 171 H ASN 33 H ASN 33 14.702 -15.826 -6.333 172 HA ASN 33 HA ASN 33 13.392 -13.809 -4.678 173 HB2 ASN 33 1HB ASN 33 12.691 -14.863 -7.472 174 HB3 ASN 33 2HB ASN 33 12.030 -13.407 -6.692 175 HD21 ASN 33 2HD2 ASN 33 13.674 -13.845 -9.175 176 HD22 ASN 33 1HD2 ASN 33 14.990 -12.686 -9.003 177 H GLN 34 H GLN 34 11.569 -14.076 -3.474 178 HA GLN 34 HA GLN 34 9.770 -16.452 -3.906 179 HB2 GLN 34 1HB GLN 34 10.886 -15.496 -1.267 180 HB3 GLN 34 2HB GLN 34 9.731 -16.820 -1.480 181 HG2 GLN 34 1HG GLN 34 11.432 -18.052 -2.734 182 HG3 GLN 34 2HG GLN 34 12.562 -16.733 -2.432 183 HE21 GLN 34 2HE2 GLN 34 12.465 -19.647 -1.622 184 HE22 GLN 34 1HE2 GLN 34 12.667 -19.611 0.126 185 H HIS 35 H HIS 35 7.804 -16.132 -2.235 186 HA HIS 35 HA HIS 35 6.722 -13.405 -2.695 187 HB2 HIS 35 1HB HIS 35 5.577 -15.784 -1.183 188 HB3 HIS 35 2HB HIS 35 4.719 -14.310 -1.518 189 HD1 HIS 35 HD1 HIS 35 4.224 -13.836 -4.232 190 HD2 HIS 35 HD2 HIS 35 5.348 -17.737 -3.188 191 HE1 HIS 35 HE1 HIS 35 3.665 -15.305 -6.148 192 HE2 HIS 35 HE2 HIS 35 4.281 -17.672 -5.535 193 H LEU 36 H LEU 36 6.938 -11.836 -1.194 194 HA LEU 36 HA LEU 36 7.853 -12.543 1.523 195 HB2 LEU 36 1HB LEU 36 8.937 -10.687 -0.547 196 HB3 LEU 36 2HB LEU 36 8.910 -10.022 1.053 197 HG LEU 36 HG LEU 36 10.509 -11.656 1.847 198 HD11 LEU 36 1HD1 LEU 36 10.030 -13.689 0.502 199 HD12 LEU 36 2HD1 LEU 36 11.668 -13.150 0.128 200 HD13 LEU 36 3HD1 LEU 36 10.357 -12.818 -0.997 201 HD21 LEU 36 3HD2 LEU 36 11.171 -9.562 0.700 202 HD22 LEU 36 1HD2 LEU 36 11.229 -10.446 -0.839 203 HD23 LEU 36 2HD2 LEU 36 12.341 -10.853 0.458 204 H CYS 37 H CYS 37 6.530 -11.478 3.024 205 HA CYS 37 HA CYS 37 5.313 -8.888 2.436 206 HB2 CYS 37 1HB CYS 37 3.780 -10.874 1.460 207 HB3 CYS 37 2HB CYS 37 3.385 -11.008 3.185 208 H GLY 38 H GLY 38 4.038 -8.293 4.427 209 HA2 GLY 38 1HA GLY 38 4.067 -7.936 6.743 210 HA3 GLY 38 2HA GLY 38 4.168 -9.699 6.854 211 H SER 39 H SER 39 5.692 -9.937 8.589 212 HA SER 39 HA SER 39 7.914 -8.272 8.959 213 HB2 SER 39 1HB SER 39 8.736 -10.240 10.345 214 HB3 SER 39 2HB SER 39 7.138 -9.561 10.743 215 HG SER 39 HG SER 39 6.918 -11.735 10.625 216 H HIS 40 H HIS 40 7.583 -11.198 6.954 217 HA HIS 40 HA HIS 40 10.418 -11.699 6.729 218 HB2 HIS 40 1HB HIS 40 8.259 -12.357 4.684 219 HB3 HIS 40 2HB HIS 40 9.932 -12.990 4.690 220 HD1 HIS 40 HD1 HIS 40 7.029 -14.589 5.161 221 HD2 HIS 40 HD2 HIS 40 10.044 -13.777 7.966 222 HE1 HIS 40 HE1 HIS 40 6.863 -16.331 6.953 223 HE2 HIS 40 HE2 HIS 40 8.617 -15.831 8.652 224 H LEU 41 H LEU 41 8.243 -9.474 4.953 225 HA LEU 41 HA LEU 41 9.940 -8.715 2.816 226 HB2 LEU 41 1HB LEU 41 7.536 -8.142 3.138 227 HB3 LEU 41 2HB LEU 41 8.030 -6.924 4.308 228 HG LEU 41 HG LEU 41 8.990 -6.903 1.455 229 HD11 LEU 41 1HD1 LEU 41 6.479 -7.060 1.421 230 HD12 LEU 41 2HD1 LEU 41 7.037 -5.529 0.766 231 HD13 LEU 41 3HD1 LEU 41 6.403 -5.614 2.413 232 HD21 LEU 41 3HD2 LEU 41 10.160 -5.355 2.817 233 HD22 LEU 41 1HD2 LEU 41 8.602 -4.701 3.447 234 HD23 LEU 41 2HD2 LEU 41 9.068 -4.464 1.706 235 H VAL 42 H VAL 42 9.504 -7.295 6.080 236 HA VAL 42 HA VAL 42 11.588 -5.366 5.681 237 HB VAL 42 HB VAL 42 10.535 -6.444 8.375 238 HG11 VAL 42 1HG1 VAL 42 12.442 -5.089 8.666 239 HG12 VAL 42 2HG1 VAL 42 11.741 -3.832 7.577 240 HG13 VAL 42 3HG1 VAL 42 10.966 -4.176 9.146 241 HG21 VAL 42 3HG2 VAL 42 8.579 -5.867 6.969 242 HG22 VAL 42 1HG2 VAL 42 8.783 -4.677 8.245 243 HG23 VAL 42 2HG2 VAL 42 9.268 -4.285 6.604 244 H GLU 43 H GLU 43 11.504 -8.628 7.066 245 HA GLU 43 HA GLU 43 14.066 -8.717 8.245 246 HB2 GLU 43 1HB GLU 43 12.104 -10.363 8.394 247 HB3 GLU 43 2HB GLU 43 12.606 -10.966 6.826 248 HG2 GLU 43 1HG GLU 43 14.790 -11.635 7.878 249 HG3 GLU 43 2HG GLU 43 14.240 -10.939 9.382 250 HE2 GLU 43 HE2 GLU 43 13.680 -14.515 9.390 251 H ALA 44 H ALA 44 13.050 -9.636 4.935 252 HA ALA 44 HA ALA 44 15.706 -10.311 4.094 253 HB1 ALA 44 3HB ALA 44 14.677 -10.276 1.831 254 HB2 ALA 44 1HB ALA 44 13.594 -11.089 3.008 255 HB3 ALA 44 2HB ALA 44 13.283 -9.405 2.484 256 H LEU 45 H LEU 45 13.733 -7.274 3.840 257 HA LEU 45 HA LEU 45 15.567 -5.731 2.266 258 HB2 LEU 45 1HB LEU 45 13.163 -5.149 2.994 259 HB3 LEU 45 2HB LEU 45 13.838 -4.762 4.579 260 HG LEU 45 HG LEU 45 15.226 -2.972 3.429 261 HD11 LEU 45 1HD1 LEU 45 14.671 -2.133 1.318 262 HD12 LEU 45 2HD1 LEU 45 13.352 -3.342 1.158 263 HD13 LEU 45 3HD1 LEU 45 15.059 -3.845 1.109 264 HD21 LEU 45 3HD2 LEU 45 13.210 -2.515 4.710 265 HD22 LEU 45 1HD2 LEU 45 12.229 -2.863 3.280 266 HD23 LEU 45 2HD2 LEU 45 13.283 -1.437 3.305 267 H TYR 46 H TYR 46 15.341 -6.473 5.741 268 HA TYR 46 HA TYR 46 17.416 -4.608 6.540 269 HB2 TYR 46 1HB TYR 46 15.909 -5.476 8.243 270 HB3 TYR 46 2HB TYR 46 16.508 -7.145 7.908 271 HD1 TYR 46 HD1 TYR 46 18.737 -7.801 8.485 272 HD2 TYR 46 HD2 TYR 46 17.265 -3.955 9.633 273 HE1 TYR 46 HE1 TYR 46 20.637 -7.568 10.100 274 HE2 TYR 46 HE2 TYR 46 19.153 -3.654 11.287 275 HH TYR 46 HH TYR 46 21.761 -6.173 11.528 276 H LEU 47 H LEU 47 17.443 -8.059 5.620 277 HA LEU 47 HA LEU 47 20.219 -8.402 6.279 278 HB2 LEU 47 1HB LEU 47 18.440 -9.977 4.388 279 HB3 LEU 47 2HB LEU 47 20.045 -10.491 4.912 280 HG LEU 47 HG LEU 47 17.818 -10.059 6.874 281 HD11 LEU 47 1HD1 LEU 47 17.388 -12.449 6.663 282 HD12 LEU 47 2HD1 LEU 47 18.641 -12.609 5.419 283 HD13 LEU 47 3HD1 LEU 47 17.200 -11.635 5.084 284 HD21 LEU 47 3HD2 LEU 47 20.400 -11.678 7.045 285 HD22 LEU 47 1HD2 LEU 47 19.134 -11.491 8.317 286 HD23 LEU 47 2HD2 LEU 47 20.107 -10.081 7.806 287 H VAL 48 H VAL 48 18.600 -7.281 3.293 288 HA VAL 48 HA VAL 48 21.157 -7.561 1.807 289 HB VAL 48 HB VAL 48 18.875 -8.138 0.891 290 HG11 VAL 48 1HG1 VAL 48 17.463 -6.471 1.728 291 HG12 VAL 48 2HG1 VAL 48 18.425 -5.214 0.948 292 HG13 VAL 48 3HG1 VAL 48 17.489 -6.335 -0.047 293 HG21 VAL 48 3HG2 VAL 48 20.338 -5.969 -0.711 294 HG22 VAL 48 1HG2 VAL 48 20.780 -7.667 -0.654 295 HG23 VAL 48 2HG2 VAL 48 19.250 -7.204 -1.387 296 H CYS 49 H CYS 49 19.263 -4.875 3.311 297 HA CYS 49 HA CYS 49 21.500 -2.985 2.691 298 HB2 CYS 49 1HB CYS 49 18.716 -2.813 1.686 299 HB3 CYS 49 2HB CYS 49 19.546 -1.334 2.112 300 H GLY 50 H GLY 50 19.734 -4.168 5.118 301 HA2 GLY 50 1HA GLY 50 18.575 -1.775 6.248 302 HA3 GLY 50 2HA GLY 50 18.800 -3.358 6.998 303 H GLU 51 H GLU 51 21.602 -1.578 5.828 304 HA GLU 51 HA GLU 51 23.041 -1.889 8.270 305 HB2 GLU 51 1HB GLU 51 23.339 -0.091 5.807 306 HB3 GLU 51 2HB GLU 51 24.510 -0.050 7.133 307 HG2 GLU 51 1HG GLU 51 23.849 -2.661 5.748 308 HG3 GLU 51 2HG GLU 51 25.033 -1.498 5.043 309 HE2 GLU 51 HE2 GLU 51 26.820 -1.843 5.485 310 H GLN 52 H GLN 52 20.969 0.875 7.259 311 HA GLN 52 HA GLN 52 21.948 2.576 9.372 312 HB2 GLN 52 1HB GLN 52 19.419 2.786 7.717 313 HB3 GLN 52 2HB GLN 52 20.115 4.095 8.712 314 HG2 GLN 52 1HG GLN 52 22.138 4.173 7.209 315 HG3 GLN 52 2HG GLN 52 21.504 2.815 6.275 316 HE21 GLN 52 2HE2 GLN 52 21.938 4.561 4.646 317 HE22 GLN 52 1HE2 GLN 52 20.609 5.601 4.262 318 H GLY 53 H GLY 53 19.624 -0.010 9.322 319 HA2 GLY 53 1HA GLY 53 18.381 -0.831 11.171 320 HA3 GLY 53 2HA GLY 53 18.867 0.586 12.115 321 H PHE 54 H PHE 54 16.306 -0.881 10.595 322 HA PHE 54 HA PHE 54 14.815 1.519 9.888 323 HB2 PHE 54 1HB PHE 54 13.687 -1.218 10.456 324 HB3 PHE 54 2HB PHE 54 12.944 0.077 9.516 325 HD1 PHE 54 HD2 PHE 54 15.260 0.938 7.794 326 HD2 PHE 54 HD1 PHE 54 13.924 -3.000 8.857 327 HE1 PHE 54 HE2 PHE 54 16.316 0.046 5.760 328 HE2 PHE 54 HE1 PHE 54 14.936 -3.886 6.807 329 HZ PHE 54 HZ PHE 54 16.196 -2.372 5.268 330 H PHE 55 H PHE 55 15.443 -0.436 12.635 331 HA PHE 55 HA PHE 55 13.995 1.408 14.354 332 HB2 PHE 55 1HB PHE 55 12.160 -0.125 13.704 333 HB3 PHE 55 2HB PHE 55 13.109 -1.490 14.245 334 HD1 PHE 55 HD2 PHE 55 11.482 1.650 15.402 335 HD2 PHE 55 HD1 PHE 55 13.149 -2.128 16.538 336 HE1 PHE 55 HE2 PHE 55 10.520 1.966 17.685 337 HE2 PHE 55 HE1 PHE 55 12.187 -1.858 18.881 338 HZ PHE 55 HZ PHE 55 10.896 0.178 19.415 339 H TYR 56 H TYR 56 15.692 1.866 15.508 340 HA TYR 56 HA TYR 56 17.337 1.688 17.004 341 HB2 TYR 56 1HB TYR 56 15.637 0.355 18.231 342 HB3 TYR 56 2HB TYR 56 16.396 -1.129 17.620 343 HD1 TYR 56 HD1 TYR 56 17.250 2.051 19.396 344 HD2 TYR 56 HD2 TYR 56 17.974 -2.165 19.042 345 HE1 TYR 56 HE1 TYR 56 18.827 2.178 21.302 346 HE2 TYR 56 HE2 TYR 56 19.582 -2.037 20.881 347 HH TYR 56 HH TYR 56 20.490 -0.808 22.497 348 H THR 57 H THR 57 19.490 0.602 17.548 349 HA THR 57 HA THR 57 20.353 -1.129 15.249 350 HB THR 57 HB THR 57 22.212 0.963 16.455 351 HG1 THR 57 HG1 THR 57 21.551 2.136 14.597 352 HG21 THR 57 1HG2 THR 57 23.280 0.611 14.139 353 HG22 THR 57 2HG2 THR 57 22.091 -0.638 13.794 354 HG23 THR 57 3HG2 THR 57 23.291 -0.874 15.116 355 HA PRO 58 HA PRO 58 21.790 -2.969 19.265 356 HB2 PRO 58 1HB PRO 58 20.617 -5.409 19.149 357 HB3 PRO 58 2HB PRO 58 19.697 -3.964 19.522 358 HG2 PRO 58 1HG PRO 58 19.938 -5.428 16.936 359 HG3 PRO 58 2HG PRO 58 18.465 -4.889 17.778 360 HD2 PRO 58 1HD PRO 58 19.658 -3.434 15.769 361 HD3 PRO 58 2HD PRO 58 18.702 -2.682 17.135 362 H LYS 59 H LYS 59 23.058 -5.023 19.672 363 HA LYS 59 HA LYS 59 24.251 -6.140 17.153 364 HB2 LYS 59 1HB LYS 59 25.789 -4.392 18.077 365 HB3 LYS 59 2HB LYS 59 25.872 -5.289 19.609 366 HG2 LYS 59 1HG LYS 59 26.778 -7.302 18.321 367 HG3 LYS 59 2HG LYS 59 26.758 -6.314 16.834 368 HD2 LYS 59 1HD LYS 59 28.422 -4.735 17.882 369 HD3 LYS 59 2HD LYS 59 28.445 -5.755 19.342 370 HE2 LYS 59 1HE LYS 59 29.257 -7.667 17.935 371 HE3 LYS 59 2HE LYS 59 29.302 -6.574 16.538 372 HZ1 LYS 59 3HZ LYS 59 31.460 -6.870 17.562 373 HZ2 LYS 59 1HZ LYS 59 30.951 -6.315 19.061 374 HZ3 LYS 59 2HZ LYS 59 30.955 -5.303 17.707 375 H THR 60 H THR 60 23.541 -8.078 17.284 376 HA THR 60 HA THR 60 23.336 -10.348 17.700 377 HB THR 60 HB THR 60 25.686 -9.955 19.656 378 HG1 THR 60 HG1 THR 60 26.649 -10.454 17.300 379 HG21 THR 60 1HG2 THR 60 25.226 -12.182 17.573 380 HG22 THR 60 2HG2 THR 60 24.752 -12.369 19.276 381 HG23 THR 60 3HG2 THR 60 26.436 -12.095 18.882 382 HXT THR 60 H02 THR 60 23.793 -8.685 20.614 Start of MODEL 12 1 H1 GLY 1 2H0 GLY 1 2.322 1.136 -3.561 2 H2 GLY 1 1H0 GLY 1 1.315 0.836 -2.265 3 HA2 GLY 1 1HA GLY 1 4.038 2.060 -2.073 4 HA3 GLY 1 2HA GLY 1 3.000 1.449 -0.738 5 H ILE 2 H ILE 2 5.427 0.750 -0.613 6 HA ILE 2 HA ILE 2 6.461 -1.380 -2.026 7 HB ILE 2 HB ILE 2 7.715 -0.203 -0.277 8 HG12 ILE 2 1HG1 ILE 2 7.507 -3.144 0.263 9 HG13 ILE 2 2HG1 ILE 2 8.441 -2.404 -1.029 10 HG21 ILE 2 1HG2 ILE 2 5.941 0.134 1.408 11 HG22 ILE 2 2HG2 ILE 2 6.044 -1.617 1.844 12 HG23 ILE 2 3HG2 ILE 2 7.428 -0.511 2.089 13 HD11 ILE 2 3HD1 ILE 2 9.846 -1.213 0.761 14 HD12 ILE 2 1HD1 ILE 2 8.985 -2.240 1.944 15 HD13 ILE 2 2HD1 ILE 2 10.018 -2.989 0.737 16 H VAL 3 H VAL 3 4.086 -1.737 0.685 17 HA VAL 3 HA VAL 3 4.281 -4.586 0.774 18 HB VAL 3 HB VAL 3 1.835 -2.925 1.486 19 HG11 VAL 3 1HG1 VAL 3 1.253 -4.794 2.988 20 HG12 VAL 3 2HG1 VAL 3 1.543 -5.500 1.369 21 HG13 VAL 3 3HG1 VAL 3 2.810 -5.581 2.652 22 HG21 VAL 3 3HG2 VAL 3 3.086 -3.178 3.879 23 HG22 VAL 3 1HG2 VAL 3 4.525 -3.392 2.854 24 HG23 VAL 3 2HG2 VAL 3 3.577 -1.898 2.777 25 H GLU 4 H GLU 4 1.776 -2.576 -0.868 26 HA GLU 4 HA GLU 4 0.548 -4.912 -2.025 27 HB2 GLU 4 1HB GLU 4 -0.933 -3.372 -3.181 28 HB3 GLU 4 2HB GLU 4 -0.695 -2.800 -1.500 29 HG2 GLU 4 1HG GLU 4 1.016 -1.172 -2.336 30 HG3 GLU 4 2HG GLU 4 0.642 -1.693 -4.013 31 HE2 GLU 4 HE2 GLU 4 -2.509 -0.185 -3.854 32 H GLN 5 H GLN 5 3.287 -2.938 -3.076 33 HA GLN 5 HA GLN 5 3.042 -3.762 -5.856 34 HB2 GLN 5 1HB GLN 5 5.296 -2.427 -4.292 35 HB3 GLN 5 2HB GLN 5 5.450 -2.821 -6.010 36 HG2 GLN 5 1HG GLN 5 3.613 -1.304 -6.612 37 HG3 GLN 5 2HG GLN 5 3.264 -1.002 -4.924 38 HE21 GLN 5 2HE2 GLN 5 4.559 0.594 -7.496 39 HE22 GLN 5 1HE2 GLN 5 5.792 1.563 -6.668 40 H CYS 6 H CYS 6 4.842 -4.838 -2.920 41 HA CYS 6 HA CYS 6 6.379 -6.902 -4.503 42 HB2 CYS 6 1HB CYS 6 7.372 -5.492 -2.599 43 HB3 CYS 6 2HB CYS 6 6.240 -6.290 -1.499 44 H CYS 7 H CYS 7 3.927 -6.877 -1.907 45 HA CYS 7 HA CYS 7 3.858 -9.798 -1.912 46 HB2 CYS 7 1HB CYS 7 3.674 -8.277 0.137 47 HB3 CYS 7 2HB CYS 7 2.089 -7.872 -0.486 48 H THR 8 H THR 8 3.185 -9.035 -4.420 49 HA THR 8 HA THR 8 0.489 -10.223 -4.457 50 HB THR 8 HB THR 8 0.335 -7.705 -4.614 51 HG1 THR 8 HG1 THR 8 -1.347 -7.870 -6.012 52 HG21 THR 8 1HG2 THR 8 2.442 -7.476 -6.122 53 HG22 THR 8 2HG2 THR 8 1.041 -6.550 -6.668 54 HG23 THR 8 3HG2 THR 8 1.450 -8.085 -7.459 55 H SER 9 H SER 9 3.644 -10.113 -5.537 56 HA SER 9 HA SER 9 3.136 -12.071 -7.693 57 HB2 SER 9 1HB SER 9 3.088 -9.666 -8.734 58 HB3 SER 9 2HB SER 9 4.786 -9.558 -8.223 59 HG SER 9 HG SER 9 4.737 -10.301 -10.302 60 H ILE 10 H ILE 10 5.643 -12.556 -8.474 61 HA ILE 10 HA ILE 10 7.032 -13.298 -5.997 62 HB ILE 10 HB ILE 10 7.660 -13.564 -8.962 63 HG12 ILE 10 1HG1 ILE 10 5.952 -15.094 -7.980 64 HG13 ILE 10 2HG1 ILE 10 7.341 -15.958 -8.641 65 HG21 ILE 10 1HG2 ILE 10 9.803 -14.678 -8.463 66 HG22 ILE 10 2HG2 ILE 10 9.812 -13.071 -7.693 67 HG23 ILE 10 3HG2 ILE 10 9.525 -14.525 -6.731 68 HD11 ILE 10 3HD1 ILE 10 8.266 -16.352 -6.403 69 HD12 ILE 10 1HD1 ILE 10 6.932 -15.400 -5.676 70 HD13 ILE 10 2HD1 ILE 10 6.618 -16.935 -6.516 71 H CYS 11 H CYS 11 8.495 -12.058 -5.010 72 HA CYS 11 HA CYS 11 8.847 -9.369 -6.164 73 HB2 CYS 11 1HB CYS 11 7.936 -10.044 -3.799 74 HB3 CYS 11 2HB CYS 11 9.643 -10.305 -3.449 75 H SER 12 H SER 12 10.512 -9.343 -7.548 76 HA SER 12 HA SER 12 12.795 -11.110 -7.222 77 HB2 SER 12 1HB SER 12 11.861 -10.258 -9.416 78 HB3 SER 12 2HB SER 12 12.537 -8.650 -8.997 79 HG SER 12 HG SER 12 13.968 -9.887 -10.274 80 H LEU 13 H LEU 13 14.902 -10.564 -6.813 81 HA LEU 13 HA LEU 13 15.485 -8.738 -4.726 82 HB2 LEU 13 1HB LEU 13 16.893 -10.686 -5.395 83 HB3 LEU 13 2HB LEU 13 17.391 -9.806 -6.832 84 HG LEU 13 HG LEU 13 18.542 -8.101 -5.566 85 HD11 LEU 13 1HD1 LEU 13 17.728 -9.750 -3.101 86 HD12 LEU 13 2HD1 LEU 13 17.303 -8.065 -3.385 87 HD13 LEU 13 3HD1 LEU 13 18.997 -8.524 -3.075 88 HD21 LEU 13 3HD2 LEU 13 19.231 -10.996 -4.852 89 HD22 LEU 13 1HD2 LEU 13 20.364 -9.605 -4.718 90 HD23 LEU 13 2HD2 LEU 13 19.742 -10.114 -6.323 91 H TYR 14 H TYR 14 15.595 -8.348 -8.291 92 HA TYR 14 HA TYR 14 16.947 -5.859 -8.390 93 HB2 TYR 14 1HB TYR 14 16.411 -7.239 -10.336 94 HB3 TYR 14 2HB TYR 14 14.702 -6.907 -10.144 95 HD1 TYR 14 HD2 TYR 14 17.986 -5.205 -10.916 96 HD2 TYR 14 HD1 TYR 14 13.719 -4.990 -11.102 97 HE1 TYR 14 HE2 TYR 14 18.182 -3.192 -12.375 98 HE2 TYR 14 HE1 TYR 14 13.861 -2.970 -12.537 99 HH TYR 14 HH TYR 14 16.997 -1.454 -13.440 100 H GLN 15 H GLN 15 13.544 -6.612 -7.838 101 HA GLN 15 HA GLN 15 12.825 -3.823 -7.861 102 HB2 GLN 15 1HB GLN 15 11.451 -6.382 -7.882 103 HB3 GLN 15 2HB GLN 15 10.797 -5.403 -6.575 104 HG2 GLN 15 1HG GLN 15 9.481 -4.820 -8.449 105 HG3 GLN 15 2HG GLN 15 10.642 -3.494 -8.313 106 HE21 GLN 15 2HE2 GLN 15 11.219 -2.862 -10.347 107 HE22 GLN 15 1HE2 GLN 15 11.536 -3.983 -11.647 108 H LEU 16 H LEU 16 13.357 -6.352 -5.387 109 HA LEU 16 HA LEU 16 12.441 -4.908 -3.095 110 HB2 LEU 16 1HB LEU 16 12.961 -7.333 -3.333 111 HB3 LEU 16 2HB LEU 16 14.683 -6.944 -3.365 112 HG LEU 16 HG LEU 16 13.478 -5.722 -0.994 113 HD11 LEU 16 1HD1 LEU 16 11.711 -7.450 -0.957 114 HD12 LEU 16 2HD1 LEU 16 12.911 -7.865 0.265 115 HD13 LEU 16 3HD1 LEU 16 12.895 -8.742 -1.301 116 HD21 LEU 16 3HD2 LEU 16 15.426 -8.022 -1.416 117 HD22 LEU 16 1HD2 LEU 16 15.179 -7.135 0.091 118 HD23 LEU 16 2HD2 LEU 16 15.821 -6.291 -1.332 119 H GLU 17 H GLU 17 15.547 -4.912 -4.830 120 HA GLU 17 HA GLU 17 17.014 -3.502 -2.847 121 HB2 GLU 17 1HB GLU 17 17.327 -3.880 -5.839 122 HB3 GLU 17 2HB GLU 17 18.356 -2.739 -4.998 123 HG2 GLU 17 1HG GLU 17 18.164 -5.595 -4.033 124 HG3 GLU 17 2HG GLU 17 19.169 -5.171 -5.437 125 HE2 GLU 17 HE2 GLU 17 20.283 -4.146 -1.859 126 H ASN 18 H ASN 18 14.563 -2.441 -5.170 127 HA ASN 18 HA ASN 18 15.498 0.289 -5.357 128 HB2 ASN 18 1HB ASN 18 13.732 -1.052 -6.792 129 HB3 ASN 18 2HB ASN 18 12.607 -0.413 -5.593 130 HD21 ASN 18 2HD2 ASN 18 11.743 0.569 -7.700 131 HD22 ASN 18 1HD2 ASN 18 12.392 2.165 -8.046 132 H TYR 19 H TYR 19 13.968 -1.528 -2.947 133 HA TYR 19 HA TYR 19 12.858 0.849 -1.548 134 HB2 TYR 19 1HB TYR 19 12.813 -2.134 -0.990 135 HB3 TYR 19 2HB TYR 19 11.924 -0.882 -0.098 136 HD1 TYR 19 HD1 TYR 19 10.301 0.601 -1.528 137 HD2 TYR 19 HD2 TYR 19 11.825 -3.170 -2.864 138 HE1 TYR 19 HE1 TYR 19 8.368 0.377 -3.071 139 HE2 TYR 19 HE2 TYR 19 9.903 -3.404 -4.486 140 HH TYR 19 HH TYR 19 7.365 -0.958 -4.617 141 H CYS 20 H CYS 20 15.843 -0.533 -1.861 142 HA CYS 20 HA CYS 20 16.522 -0.529 0.995 143 HB2 CYS 20 1HB CYS 20 17.542 -2.176 -0.754 144 HB3 CYS 20 2HB CYS 20 18.418 -0.725 -1.326 145 H ASN 21 H ASN 21 15.925 1.746 -1.246 146 HA ASN 21 HA ASN 21 16.193 4.006 -1.475 147 HB2 ASN 21 1HB ASN 21 15.595 3.818 1.084 148 HB3 ASN 21 2HB ASN 21 17.331 4.097 1.342 149 HD21 ASN 21 2HD2 ASN 21 14.416 5.491 1.347 150 HD22 ASN 21 1HD2 ASN 21 14.812 7.102 0.904 151 HXT ASN 21 H02 ASN 21 19.973 4.384 -0.777 152 H1 PHE 31 2H0 PHE 31 19.851 -15.310 -1.162 153 H2 PHE 31 1H0 PHE 31 20.280 -14.465 -2.515 154 HA PHE 31 HA PHE 31 17.872 -14.179 -0.846 155 HB2 PHE 31 1HB PHE 31 18.943 -11.981 -1.475 156 HB3 PHE 31 2HB PHE 31 18.849 -12.530 -3.148 157 HD1 PHE 31 HD1 PHE 31 16.659 -12.545 -4.387 158 HD2 PHE 31 HD2 PHE 31 16.911 -11.392 -0.230 159 HE1 PHE 31 HE1 PHE 31 14.414 -11.568 -4.510 160 HE2 PHE 31 HE2 PHE 31 14.714 -10.453 -0.317 161 HZ PHE 31 HZ PHE 31 13.357 -10.557 -2.436 162 H VAL 32 H VAL 32 15.963 -14.848 -1.651 163 HA VAL 32 HA VAL 32 16.148 -16.128 -4.324 164 HB VAL 32 HB VAL 32 16.220 -17.798 -2.503 165 HG11 VAL 32 1HG1 VAL 32 15.068 -16.669 -0.697 166 HG12 VAL 32 2HG1 VAL 32 13.572 -16.564 -1.608 167 HG13 VAL 32 3HG1 VAL 32 14.197 -18.160 -1.078 168 HG21 VAL 32 3HG2 VAL 32 14.429 -19.272 -3.335 169 HG22 VAL 32 1HG2 VAL 32 13.552 -17.906 -4.028 170 HG23 VAL 32 2HG2 VAL 32 15.114 -18.374 -4.701 171 H ASN 33 H ASN 33 14.501 -15.616 -5.715 172 HA ASN 33 HA ASN 33 12.970 -13.258 -5.018 173 HB2 ASN 33 1HB ASN 33 12.766 -15.019 -7.438 174 HB3 ASN 33 2HB ASN 33 12.141 -13.360 -7.314 175 HD21 ASN 33 2HD2 ASN 33 14.258 -14.853 -8.973 176 HD22 ASN 33 1HD2 ASN 33 15.674 -13.843 -8.800 177 H GLN 34 H GLN 34 11.153 -13.591 -3.573 178 HA GLN 34 HA GLN 34 9.181 -15.663 -4.432 179 HB2 GLN 34 1HB GLN 34 10.414 -15.411 -1.635 180 HB3 GLN 34 2HB GLN 34 8.971 -16.372 -2.046 181 HG2 GLN 34 1HG GLN 34 10.356 -17.684 -3.632 182 HG3 GLN 34 2HG GLN 34 11.789 -16.852 -3.031 183 HE21 GLN 34 2HE2 GLN 34 11.412 -19.689 -2.916 184 HE22 GLN 34 1HE2 GLN 34 11.375 -20.107 -1.216 185 H HIS 35 H HIS 35 7.342 -15.534 -2.624 186 HA HIS 35 HA HIS 35 6.255 -12.804 -2.882 187 HB2 HIS 35 1HB HIS 35 5.091 -15.247 -1.463 188 HB3 HIS 35 2HB HIS 35 4.247 -13.722 -1.842 189 HD1 HIS 35 HD1 HIS 35 4.407 -13.167 -4.775 190 HD2 HIS 35 HD2 HIS 35 4.494 -17.154 -3.322 191 HE1 HIS 35 HE1 HIS 35 3.701 -14.712 -6.640 192 HE2 HIS 35 HE2 HIS 35 3.792 -17.068 -5.816 193 H LEU 36 H LEU 36 7.997 -11.832 -1.580 194 HA LEU 36 HA LEU 36 8.204 -12.448 1.238 195 HB2 LEU 36 1HB LEU 36 9.141 -10.266 -0.581 196 HB3 LEU 36 2HB LEU 36 9.222 -10.039 1.127 197 HG LEU 36 HG LEU 36 11.415 -10.560 0.429 198 HD11 LEU 36 1HD1 LEU 36 10.623 -11.771 2.489 199 HD12 LEU 36 2HD1 LEU 36 12.016 -12.526 1.648 200 HD13 LEU 36 3HD1 LEU 36 10.403 -13.228 1.438 201 HD21 LEU 36 3HD2 LEU 36 11.989 -12.657 -0.819 202 HD22 LEU 36 1HD2 LEU 36 10.996 -11.523 -1.776 203 HD23 LEU 36 2HD2 LEU 36 10.251 -12.957 -1.030 204 H CYS 37 H CYS 37 6.637 -12.094 2.618 205 HA CYS 37 HA CYS 37 5.046 -9.589 2.319 206 HB2 CYS 37 1HB CYS 37 4.000 -12.459 2.877 207 HB3 CYS 37 2HB CYS 37 3.044 -10.967 2.966 208 H GLY 38 H GLY 38 3.932 -9.021 4.316 209 HA2 GLY 38 1HA GLY 38 3.781 -8.831 6.515 210 HA3 GLY 38 2HA GLY 38 4.288 -10.503 6.694 211 H SER 39 H SER 39 5.628 -10.291 8.454 212 HA SER 39 HA SER 39 7.569 -8.121 8.614 213 HB2 SER 39 1HB SER 39 8.550 -9.473 10.383 214 HB3 SER 39 2HB SER 39 6.767 -9.290 10.522 215 HG SER 39 HG SER 39 7.649 -11.506 10.836 216 H HIS 40 H HIS 40 7.561 -11.148 6.817 217 HA HIS 40 HA HIS 40 10.411 -11.532 6.690 218 HB2 HIS 40 1HB HIS 40 8.378 -12.246 4.592 219 HB3 HIS 40 2HB HIS 40 10.014 -12.927 4.775 220 HD1 HIS 40 HD1 HIS 40 7.269 -14.651 4.781 221 HD2 HIS 40 HD2 HIS 40 9.360 -13.224 8.137 222 HE1 HIS 40 HE1 HIS 40 6.503 -16.074 6.796 223 HE2 HIS 40 HE2 HIS 40 7.827 -15.256 8.826 224 H LEU 41 H LEU 41 8.349 -9.246 4.990 225 HA LEU 41 HA LEU 41 10.099 -8.805 2.794 226 HB2 LEU 41 1HB LEU 41 7.744 -8.249 2.723 227 HB3 LEU 41 2HB LEU 41 7.931 -7.134 4.054 228 HG LEU 41 HG LEU 41 9.139 -5.540 2.687 229 HD11 LEU 41 1HD1 LEU 41 10.445 -6.989 1.234 230 HD12 LEU 41 2HD1 LEU 41 9.462 -5.880 0.298 231 HD13 LEU 41 3HD1 LEU 41 8.947 -7.563 0.439 232 HD21 LEU 41 3HD2 LEU 41 7.289 -5.211 0.935 233 HD22 LEU 41 1HD2 LEU 41 6.669 -5.498 2.605 234 HD23 LEU 41 2HD2 LEU 41 6.624 -6.818 1.362 235 H VAL 42 H VAL 42 9.583 -6.962 5.892 236 HA VAL 42 HA VAL 42 11.796 -5.192 5.315 237 HB VAL 42 HB VAL 42 9.865 -4.569 6.779 238 HG11 VAL 42 1HG1 VAL 42 9.564 -6.553 8.200 239 HG12 VAL 42 2HG1 VAL 42 11.203 -6.437 8.842 240 HG13 VAL 42 3HG1 VAL 42 9.977 -5.194 9.254 241 HG21 VAL 42 3HG2 VAL 42 11.162 -3.187 8.309 242 HG22 VAL 42 1HG2 VAL 42 12.560 -4.235 8.177 243 HG23 VAL 42 2HG2 VAL 42 12.027 -3.310 6.767 244 H GLU 43 H GLU 43 11.553 -8.317 6.994 245 HA GLU 43 HA GLU 43 14.087 -8.277 8.225 246 HB2 GLU 43 1HB GLU 43 11.970 -10.079 7.957 247 HB3 GLU 43 2HB GLU 43 13.286 -10.902 7.149 248 HG2 GLU 43 1HG GLU 43 13.324 -9.850 9.935 249 HG3 GLU 43 2HG GLU 43 13.128 -11.548 9.488 250 HE2 GLU 43 HE2 GLU 43 14.839 -11.973 7.723 251 H ALA 44 H ALA 44 12.996 -9.572 4.973 252 HA ALA 44 HA ALA 44 15.710 -10.373 4.220 253 HB1 ALA 44 3HB ALA 44 13.937 -11.368 2.936 254 HB2 ALA 44 1HB ALA 44 13.170 -9.757 2.626 255 HB3 ALA 44 2HB ALA 44 14.737 -10.179 1.843 256 H LEU 45 H LEU 45 13.773 -7.387 3.783 257 HA LEU 45 HA LEU 45 15.719 -6.002 2.232 258 HB2 LEU 45 1HB LEU 45 13.304 -5.371 2.734 259 HB3 LEU 45 2HB LEU 45 13.878 -4.736 4.286 260 HG LEU 45 HG LEU 45 15.478 -3.233 3.017 261 HD11 LEU 45 1HD1 LEU 45 15.562 -4.434 0.839 262 HD12 LEU 45 2HD1 LEU 45 15.040 -2.745 0.669 263 HD13 LEU 45 3HD1 LEU 45 13.837 -4.048 0.563 264 HD21 LEU 45 3HD2 LEU 45 12.494 -2.958 2.386 265 HD22 LEU 45 1HD2 LEU 45 13.715 -1.649 2.336 266 HD23 LEU 45 2HD2 LEU 45 13.301 -2.442 3.878 267 H TYR 46 H TYR 46 15.434 -6.302 5.837 268 HA TYR 46 HA TYR 46 17.619 -4.532 6.267 269 HB2 TYR 46 1HB TYR 46 16.071 -5.030 8.053 270 HB3 TYR 46 2HB TYR 46 16.467 -6.760 7.947 271 HD1 TYR 46 HD1 TYR 46 17.602 -3.415 9.104 272 HD2 TYR 46 HD2 TYR 46 18.456 -7.657 8.999 273 HE1 TYR 46 HE1 TYR 46 19.352 -3.118 10.864 274 HE2 TYR 46 HE2 TYR 46 20.218 -7.421 10.625 275 HH TYR 46 HH TYR 46 21.446 -5.813 11.959 276 H LEU 47 H LEU 47 17.515 -8.065 5.793 277 HA LEU 47 HA LEU 47 20.238 -8.494 6.532 278 HB2 LEU 47 1HB LEU 47 18.416 -10.046 4.695 279 HB3 LEU 47 2HB LEU 47 19.983 -10.597 5.160 280 HG LEU 47 HG LEU 47 17.796 -9.913 7.168 281 HD11 LEU 47 1HD1 LEU 47 17.560 -12.432 7.289 282 HD12 LEU 47 2HD1 LEU 47 18.595 -12.571 5.871 283 HD13 LEU 47 3HD1 LEU 47 17.029 -11.757 5.738 284 HD21 LEU 47 3HD2 LEU 47 18.973 -11.100 8.813 285 HD22 LEU 47 1HD2 LEU 47 20.134 -9.940 8.099 286 HD23 LEU 47 2HD2 LEU 47 20.220 -11.681 7.629 287 H VAL 48 H VAL 48 18.732 -7.743 3.372 288 HA VAL 48 HA VAL 48 21.284 -8.056 2.048 289 HB VAL 48 HB VAL 48 19.020 -8.533 1.015 290 HG11 VAL 48 1HG1 VAL 48 17.673 -6.771 0.105 291 HG12 VAL 48 2HG1 VAL 48 17.975 -6.382 1.784 292 HG13 VAL 48 3HG1 VAL 48 18.864 -5.517 0.537 293 HG21 VAL 48 3HG2 VAL 48 20.863 -8.499 -0.487 294 HG22 VAL 48 1HG2 VAL 48 19.583 -7.523 -1.227 295 HG23 VAL 48 2HG2 VAL 48 20.947 -6.700 -0.456 296 H CYS 49 H CYS 49 19.546 -5.343 3.457 297 HA CYS 49 HA CYS 49 21.275 -3.469 2.045 298 HB2 CYS 49 1HB CYS 49 19.345 -3.084 4.349 299 HB3 CYS 49 2HB CYS 49 20.172 -1.777 3.488 300 H GLY 50 H GLY 50 21.010 -4.750 5.408 301 HA2 GLY 50 1HA GLY 50 22.550 -4.690 7.068 302 HA3 GLY 50 2HA GLY 50 23.806 -4.279 5.886 303 H GLU 51 H GLU 51 20.905 -2.365 6.206 304 HA GLU 51 HA GLU 51 22.548 -0.055 6.532 305 HB2 GLU 51 1HB GLU 51 19.839 -0.611 5.884 306 HB3 GLU 51 2HB GLU 51 19.881 0.632 7.125 307 HG2 GLU 51 1HG GLU 51 19.961 1.837 5.160 308 HG3 GLU 51 2HG GLU 51 21.579 1.835 5.796 309 HE2 GLU 51 HE2 GLU 51 20.930 0.357 2.265 310 H GLN 52 H GLN 52 22.071 -2.096 9.072 311 HA GLN 52 HA GLN 52 22.166 -1.721 11.378 312 HB2 GLN 52 1HB GLN 52 23.195 1.080 10.585 313 HB3 GLN 52 2HB GLN 52 23.256 0.392 12.211 314 HG2 GLN 52 1HG GLN 52 24.722 -1.406 11.400 315 HG3 GLN 52 2HG GLN 52 24.773 -0.650 9.799 316 HE21 GLN 52 2HE2 GLN 52 25.597 -0.182 13.174 317 HE22 GLN 52 1HE2 GLN 52 26.746 1.083 12.879 318 H GLY 53 H GLY 53 19.629 -1.300 10.244 319 HA2 GLY 53 1HA GLY 53 17.596 -0.868 11.489 320 HA3 GLY 53 2HA GLY 53 18.420 0.507 12.192 321 H PHE 54 H PHE 54 15.925 -0.042 10.076 322 HA PHE 54 HA PHE 54 16.700 1.921 8.060 323 HB2 PHE 54 1HB PHE 54 13.996 0.566 8.710 324 HB3 PHE 54 2HB PHE 54 14.280 1.721 7.357 325 HD1 PHE 54 HD1 PHE 54 16.636 1.111 6.076 326 HD2 PHE 54 HD2 PHE 54 13.970 -1.678 7.974 327 HE1 PHE 54 HE1 PHE 54 17.434 -0.721 4.570 328 HE2 PHE 54 HE2 PHE 54 14.812 -3.531 6.532 329 HZ PHE 54 HZ PHE 54 16.586 -3.028 4.801 330 H PHE 55 H PHE 55 15.228 2.025 11.220 331 HA PHE 55 HA PHE 55 14.960 4.996 10.893 332 HB2 PHE 55 1HB PHE 55 13.186 3.029 12.337 333 HB3 PHE 55 2HB PHE 55 13.565 4.533 13.198 334 HD1 PHE 55 HD2 PHE 55 11.943 3.128 10.117 335 HD2 PHE 55 HD1 PHE 55 12.556 6.672 12.525 336 HE1 PHE 55 HE2 PHE 55 10.171 4.368 8.797 337 HE2 PHE 55 HE1 PHE 55 10.806 7.866 11.279 338 HZ PHE 55 HZ PHE 55 9.577 6.679 9.419 339 H TYR 56 H TYR 56 16.208 6.125 12.333 340 HA TYR 56 HA TYR 56 18.154 4.469 13.798 341 HB2 TYR 56 1HB TYR 56 19.071 6.104 12.234 342 HB3 TYR 56 2HB TYR 56 18.063 7.386 12.974 343 HD1 TYR 56 HD1 TYR 56 20.238 4.753 14.600 344 HD2 TYR 56 HD2 TYR 56 19.527 8.904 13.879 345 HE1 TYR 56 HE1 TYR 56 22.107 5.362 16.211 346 HE2 TYR 56 HE2 TYR 56 21.416 9.505 15.476 347 HH TYR 56 HH TYR 56 23.501 7.017 16.857 348 H THR 57 H THR 57 17.608 3.952 15.748 349 HA THR 57 HA THR 57 16.557 6.183 17.483 350 HB THR 57 HB THR 57 15.651 3.298 17.718 351 HG1 THR 57 HG1 THR 57 14.918 4.112 15.780 352 HG21 THR 57 1HG2 THR 57 14.746 5.958 18.903 353 HG22 THR 57 2HG2 THR 57 15.300 4.508 19.767 354 HG23 THR 57 3HG2 THR 57 13.734 4.484 18.946 355 HA PRO 58 HA PRO 58 20.366 4.187 19.085 356 HB2 PRO 58 1HB PRO 58 21.515 6.344 20.338 357 HB3 PRO 58 2HB PRO 58 21.547 6.098 18.566 358 HG2 PRO 58 1HG PRO 58 19.608 7.788 20.207 359 HG3 PRO 58 2HG PRO 58 20.622 8.310 18.817 360 HD2 PRO 58 1HD PRO 58 18.064 7.559 18.406 361 HD3 PRO 58 2HD PRO 58 19.366 7.073 17.231 362 H LYS 59 H LYS 59 20.964 3.456 21.162 363 HA LYS 59 HA LYS 59 19.280 4.326 23.508 364 HB2 LYS 59 1HB LYS 59 18.802 2.003 24.136 365 HB3 LYS 59 2HB LYS 59 18.158 2.306 22.509 366 HG2 LYS 59 1HG LYS 59 20.047 1.186 21.483 367 HG3 LYS 59 2HG LYS 59 20.747 0.804 23.073 368 HD2 LYS 59 1HD LYS 59 18.656 -0.461 23.663 369 HD3 LYS 59 2HD LYS 59 18.015 -0.127 22.031 370 HE2 LYS 59 1HE LYS 59 19.900 -1.343 21.074 371 HE3 LYS 59 2HE LYS 59 20.539 -1.717 22.664 372 HZ1 LYS 59 3HZ LYS 59 19.233 -3.501 21.726 373 HZ2 LYS 59 1HZ LYS 59 17.876 -2.535 21.767 374 HZ3 LYS 59 2HZ LYS 59 18.634 -2.988 23.124 375 H THR 60 H THR 60 21.938 4.872 22.631 376 HA THR 60 HA THR 60 23.990 3.270 23.686 377 HB THR 60 HB THR 60 24.276 6.239 23.760 378 HG1 THR 60 HG1 THR 60 24.046 6.350 21.516 379 HG21 THR 60 1HG2 THR 60 26.338 5.758 22.669 380 HG22 THR 60 2HG2 THR 60 25.692 4.268 21.999 381 HG23 THR 60 3HG2 THR 60 26.119 4.407 23.686 382 HXT THR 60 H02 THR 60 24.296 2.805 25.463 Start of MODEL 13 1 H1 GLY 1 2H0 GLY 1 4.161 3.245 0.074 2 H2 GLY 1 1H0 GLY 1 4.424 1.969 1.005 3 HA2 GLY 1 1HA GLY 1 2.680 1.228 -0.347 4 HA3 GLY 1 2HA GLY 1 3.344 2.002 -1.764 5 H ILE 2 H ILE 2 5.652 0.879 -0.114 6 HA ILE 2 HA ILE 2 6.516 -1.204 -1.739 7 HB ILE 2 HB ILE 2 8.126 -0.122 -0.211 8 HG12 ILE 2 1HG1 ILE 2 7.747 -3.024 0.673 9 HG13 ILE 2 2HG1 ILE 2 8.368 -2.577 -0.896 10 HG21 ILE 2 1HG2 ILE 2 6.540 0.327 1.735 11 HG22 ILE 2 2HG2 ILE 2 6.727 -1.345 2.215 12 HG23 ILE 2 3HG2 ILE 2 8.105 -0.236 2.200 13 HD11 ILE 2 3HD1 ILE 2 9.617 -2.372 1.784 14 HD12 ILE 2 1HD1 ILE 2 10.340 -2.882 0.269 15 HD13 ILE 2 2HD1 ILE 2 10.102 -1.161 0.608 16 H VAL 3 H VAL 3 4.650 -1.600 1.276 17 HA VAL 3 HA VAL 3 4.906 -4.412 1.361 18 HB VAL 3 HB VAL 3 2.620 -2.662 2.410 19 HG11 VAL 3 1HG1 VAL 3 3.406 -5.507 3.215 20 HG12 VAL 3 2HG1 VAL 3 2.116 -4.514 3.991 21 HG13 VAL 3 3HG1 VAL 3 1.982 -5.045 2.294 22 HG21 VAL 3 3HG2 VAL 3 3.807 -2.849 4.572 23 HG22 VAL 3 1HG2 VAL 3 5.121 -3.705 3.761 24 HG23 VAL 3 2HG2 VAL 3 4.764 -2.027 3.310 25 H GLU 4 H GLU 4 2.373 -2.272 -0.103 26 HA GLU 4 HA GLU 4 0.783 -4.481 -1.003 27 HB2 GLU 4 1HB GLU 4 0.972 -1.592 -2.004 28 HB3 GLU 4 2HB GLU 4 -0.258 -2.759 -2.519 29 HG2 GLU 4 1HG GLU 4 -0.916 -2.975 -0.048 30 HG3 GLU 4 2HG GLU 4 0.205 -1.633 0.310 31 HE2 GLU 4 HE2 GLU 4 -1.771 -0.996 1.003 32 H GLN 5 H GLN 5 3.602 -2.804 -2.406 33 HA GLN 5 HA GLN 5 3.177 -3.894 -5.055 34 HB2 GLN 5 1HB GLN 5 5.130 -2.287 -3.655 35 HB3 GLN 5 2HB GLN 5 5.915 -3.524 -4.643 36 HG2 GLN 5 1HG GLN 5 5.467 -1.389 -5.906 37 HG3 GLN 5 2HG GLN 5 4.674 -2.792 -6.602 38 HE21 GLN 5 2HE2 GLN 5 2.670 -2.465 -7.291 39 HE22 GLN 5 1HE2 GLN 5 1.621 -1.233 -6.620 40 H CYS 6 H CYS 6 5.277 -4.891 -2.338 41 HA CYS 6 HA CYS 6 6.224 -7.233 -3.805 42 HB2 CYS 6 1HB CYS 6 6.596 -6.036 -1.070 43 HB3 CYS 6 2HB CYS 6 7.136 -7.691 -1.339 44 H CYS 7 H CYS 7 3.635 -6.690 -1.471 45 HA CYS 7 HA CYS 7 3.522 -9.427 -0.528 46 HB2 CYS 7 1HB CYS 7 2.552 -7.352 0.642 47 HB3 CYS 7 2HB CYS 7 1.235 -7.485 -0.529 48 H THR 8 H THR 8 2.760 -8.102 -3.549 49 HA THR 8 HA THR 8 0.895 -10.360 -4.166 50 HB THR 8 HB THR 8 0.164 -8.874 -6.103 51 HG1 THR 8 HG1 THR 8 1.243 -6.678 -4.691 52 HG21 THR 8 1HG2 THR 8 -0.309 -7.584 -3.422 53 HG22 THR 8 2HG2 THR 8 -1.143 -9.064 -3.975 54 HG23 THR 8 3HG2 THR 8 -1.386 -7.519 -4.848 55 H SER 9 H SER 9 1.469 -11.425 -6.239 56 HA SER 9 HA SER 9 3.031 -12.481 -7.499 57 HB2 SER 9 1HB SER 9 4.309 -9.730 -7.889 58 HB3 SER 9 2HB SER 9 4.370 -11.130 -8.970 59 HG SER 9 HG SER 9 2.385 -9.220 -8.618 60 H ILE 10 H ILE 10 5.862 -11.671 -7.869 61 HA ILE 10 HA ILE 10 6.943 -11.917 -5.123 62 HB ILE 10 HB ILE 10 7.899 -13.502 -7.551 63 HG12 ILE 10 1HG1 ILE 10 6.823 -14.680 -4.939 64 HG13 ILE 10 2HG1 ILE 10 5.848 -14.389 -6.371 65 HG21 ILE 10 1HG2 ILE 10 9.078 -13.386 -4.793 66 HG22 ILE 10 2HG2 ILE 10 9.565 -14.539 -6.039 67 HG23 ILE 10 3HG2 ILE 10 9.829 -12.795 -6.283 68 HD11 ILE 10 3HD1 ILE 10 7.528 -15.917 -7.596 69 HD12 ILE 10 1HD1 ILE 10 8.146 -16.392 -5.980 70 HD13 ILE 10 2HD1 ILE 10 6.462 -16.708 -6.425 71 H CYS 11 H CYS 11 7.908 -9.926 -4.895 72 HA CYS 11 HA CYS 11 9.198 -8.616 -7.161 73 HB2 CYS 11 1HB CYS 11 9.957 -6.956 -5.553 74 HB3 CYS 11 2HB CYS 11 8.210 -7.158 -5.425 75 H SER 12 H SER 12 11.279 -9.252 -7.834 76 HA SER 12 HA SER 12 12.734 -11.363 -6.398 77 HB2 SER 12 1HB SER 12 13.793 -9.516 -8.652 78 HB3 SER 12 2HB SER 12 14.457 -11.097 -8.176 79 HG SER 12 HG SER 12 13.244 -11.440 -9.955 80 H LEU 13 H LEU 13 15.032 -11.114 -5.606 81 HA LEU 13 HA LEU 13 15.292 -8.949 -3.838 82 HB2 LEU 13 1HB LEU 13 17.463 -9.744 -3.346 83 HB3 LEU 13 2HB LEU 13 16.432 -11.138 -3.557 84 HG LEU 13 HG LEU 13 17.871 -10.576 -6.009 85 HD11 LEU 13 1HD1 LEU 13 19.607 -9.586 -4.365 86 HD12 LEU 13 2HD1 LEU 13 20.193 -10.998 -5.233 87 HD13 LEU 13 3HD1 LEU 13 19.656 -11.164 -3.563 88 HD21 LEU 13 3HD2 LEU 13 18.469 -12.951 -5.678 89 HD22 LEU 13 1HD2 LEU 13 16.741 -12.658 -5.355 90 HD23 LEU 13 2HD2 LEU 13 17.906 -12.852 -4.006 91 H TYR 14 H TYR 14 16.357 -9.219 -7.200 92 HA TYR 14 HA TYR 14 18.295 -7.122 -7.224 93 HB2 TYR 14 1HB TYR 14 17.968 -8.741 -9.031 94 HB3 TYR 14 2HB TYR 14 16.330 -8.112 -9.347 95 HD1 TYR 14 HD2 TYR 14 19.961 -7.501 -9.762 96 HD2 TYR 14 HD1 TYR 14 16.059 -5.967 -10.514 97 HE1 TYR 14 HE2 TYR 14 20.927 -5.866 -11.409 98 HE2 TYR 14 HE1 TYR 14 16.999 -4.342 -12.172 99 HH TYR 14 HH TYR 14 18.901 -3.554 -13.187 100 H GLN 15 H GLN 15 14.784 -7.158 -7.595 101 HA GLN 15 HA GLN 15 14.669 -4.299 -8.059 102 HB2 GLN 15 1HB GLN 15 12.887 -5.919 -8.920 103 HB3 GLN 15 2HB GLN 15 12.390 -6.162 -7.226 104 HG2 GLN 15 1HG GLN 15 10.893 -4.541 -8.264 105 HG3 GLN 15 2HG GLN 15 11.888 -3.652 -7.108 106 HE21 GLN 15 2HE2 GLN 15 12.855 -1.896 -7.979 107 HE22 GLN 15 1HE2 GLN 15 12.957 -1.496 -9.649 108 H LEU 16 H LEU 16 14.393 -6.558 -5.353 109 HA LEU 16 HA LEU 16 13.231 -4.845 -3.453 110 HB2 LEU 16 1HB LEU 16 13.489 -7.285 -3.043 111 HB3 LEU 16 2HB LEU 16 15.217 -7.017 -2.874 112 HG LEU 16 HG LEU 16 14.723 -5.538 -0.903 113 HD11 LEU 16 1HD1 LEU 16 12.536 -5.762 0.273 114 HD12 LEU 16 2HD1 LEU 16 11.863 -6.564 -1.169 115 HD13 LEU 16 3HD1 LEU 16 12.413 -4.877 -1.242 116 HD21 LEU 16 3HD2 LEU 16 15.417 -7.858 -0.609 117 HD22 LEU 16 1HD2 LEU 16 13.712 -8.388 -0.702 118 HD23 LEU 16 2HD2 LEU 16 14.236 -7.376 0.654 119 H GLU 17 H GLU 17 16.679 -5.296 -4.281 120 HA GLU 17 HA GLU 17 17.804 -3.579 -2.335 121 HB2 GLU 17 1HB GLU 17 18.565 -4.192 -5.159 122 HB3 GLU 17 2HB GLU 17 19.498 -3.117 -4.122 123 HG2 GLU 17 1HG GLU 17 19.593 -4.945 -2.404 124 HG3 GLU 17 2HG GLU 17 18.887 -6.014 -3.611 125 HE2 GLU 17 HE2 GLU 17 21.457 -4.719 -2.372 126 H ASN 18 H ASN 18 15.910 -2.656 -5.211 127 HA ASN 18 HA ASN 18 17.008 -0.024 -5.280 128 HB2 ASN 18 1HB ASN 18 15.549 -1.497 -6.997 129 HB3 ASN 18 2HB ASN 18 14.253 -0.499 -6.315 130 HD21 ASN 18 2HD2 ASN 18 16.164 -0.687 -8.906 131 HD22 ASN 18 1HD2 ASN 18 16.522 1.003 -9.270 132 H TYR 19 H TYR 19 14.615 -1.633 -3.312 133 HA TYR 19 HA TYR 19 13.265 0.751 -2.368 134 HB2 TYR 19 1HB TYR 19 13.567 -1.997 -1.182 135 HB3 TYR 19 2HB TYR 19 12.593 -0.742 -0.453 136 HD1 TYR 19 HD1 TYR 19 12.892 -2.956 -3.474 137 HD2 TYR 19 HD2 TYR 19 10.455 -0.110 -1.419 138 HE1 TYR 19 HE1 TYR 19 10.897 -3.685 -4.826 139 HE2 TYR 19 HE2 TYR 19 8.497 -0.779 -2.810 140 HH TYR 19 HH TYR 19 8.737 -3.347 -5.271 141 H CYS 20 H CYS 20 16.309 -0.801 -1.747 142 HA CYS 20 HA CYS 20 16.615 0.457 0.935 143 HB2 CYS 20 1HB CYS 20 17.929 -1.599 -0.183 144 HB3 CYS 20 2HB CYS 20 18.959 -0.370 -0.843 145 H ASN 21 H ASN 21 17.393 1.104 -2.501 146 HA ASN 21 HA ASN 21 18.804 3.586 -2.035 147 HB2 ASN 21 1HB ASN 21 19.025 2.375 -4.201 148 HB3 ASN 21 2HB ASN 21 17.344 2.626 -4.516 149 HD21 ASN 21 2HD2 ASN 21 16.762 4.415 -5.700 150 HD22 ASN 21 1HD2 ASN 21 17.801 5.815 -5.790 151 HXT ASN 21 H02 ASN 21 15.719 2.804 -2.818 152 H1 PHE 31 2H0 PHE 31 19.460 -13.676 -2.826 153 H2 PHE 31 1H0 PHE 31 20.728 -13.766 -1.886 154 HA PHE 31 HA PHE 31 20.034 -16.164 -1.363 155 HB2 PHE 31 1HB PHE 31 18.725 -15.448 0.501 156 HB3 PHE 31 2HB PHE 31 19.797 -14.155 0.195 157 HD1 PHE 31 HD2 PHE 31 19.055 -11.975 -0.905 158 HD2 PHE 31 HD1 PHE 31 16.385 -15.179 0.204 159 HE1 PHE 31 HE2 PHE 31 17.072 -10.410 -1.053 160 HE2 PHE 31 HE1 PHE 31 14.447 -13.618 0.036 161 HZ PHE 31 HZ PHE 31 14.804 -11.343 -0.493 162 H VAL 32 H VAL 32 17.505 -16.931 -0.640 163 HA VAL 32 HA VAL 32 16.648 -17.907 -3.243 164 HB VAL 32 HB VAL 32 14.911 -19.077 -1.699 165 HG11 VAL 32 1HG1 VAL 32 16.884 -20.173 -2.581 166 HG12 VAL 32 2HG1 VAL 32 17.877 -19.478 -1.256 167 HG13 VAL 32 3HG1 VAL 32 16.601 -20.669 -0.910 168 HG21 VAL 32 3HG2 VAL 32 15.162 -18.965 0.698 169 HG22 VAL 32 1HG2 VAL 32 16.816 -18.284 0.592 170 HG23 VAL 32 2HG2 VAL 32 15.364 -17.270 0.230 171 H ASN 33 H ASN 33 14.945 -17.309 -4.484 172 HA ASN 33 HA ASN 33 13.532 -14.849 -3.686 173 HB2 ASN 33 1HB ASN 33 13.559 -16.591 -6.171 174 HB3 ASN 33 2HB ASN 33 12.340 -15.328 -5.899 175 HD21 ASN 33 2HD2 ASN 33 15.529 -16.020 -6.805 176 HD22 ASN 33 1HD2 ASN 33 16.116 -14.374 -7.003 177 H GLN 34 H GLN 34 11.513 -14.668 -2.849 178 HA GLN 34 HA GLN 34 9.530 -16.804 -3.162 179 HB2 GLN 34 1HB GLN 34 9.376 -17.324 -0.719 180 HB3 GLN 34 2HB GLN 34 11.006 -17.683 -1.344 181 HG2 GLN 34 1HG GLN 34 11.766 -15.455 -0.444 182 HG3 GLN 34 2HG GLN 34 10.162 -15.185 0.238 183 HE21 GLN 34 2HE2 GLN 34 9.540 -16.310 2.091 184 HE22 GLN 34 1HE2 GLN 34 10.660 -17.125 3.093 185 H HIS 35 H HIS 35 7.491 -16.047 -1.881 186 HA HIS 35 HA HIS 35 6.866 -13.364 -2.532 187 HB2 HIS 35 1HB HIS 35 5.570 -15.224 -0.472 188 HB3 HIS 35 2HB HIS 35 4.889 -13.719 -1.078 189 HD1 HIS 35 HD1 HIS 35 4.407 -13.586 -3.770 190 HD2 HIS 35 HD2 HIS 35 4.935 -17.382 -2.106 191 HE1 HIS 35 HE1 HIS 35 3.549 -15.275 -5.480 192 HE2 HIS 35 HE2 HIS 35 3.836 -17.571 -4.414 193 H LEU 36 H LEU 36 6.901 -11.448 -1.290 194 HA LEU 36 HA LEU 36 7.964 -11.689 1.468 195 HB2 LEU 36 1HB LEU 36 8.546 -9.564 -0.583 196 HB3 LEU 36 2HB LEU 36 9.108 -9.532 1.078 197 HG LEU 36 HG LEU 36 9.910 -11.592 -0.992 198 HD11 LEU 36 1HD1 LEU 36 11.423 -9.124 -0.030 199 HD12 LEU 36 2HD1 LEU 36 10.796 -9.490 -1.639 200 HD13 LEU 36 3HD1 LEU 36 12.109 -10.444 -1.010 201 HD21 LEU 36 3HD2 LEU 36 10.116 -12.450 1.337 202 HD22 LEU 36 1HD2 LEU 36 11.126 -11.067 1.805 203 HD23 LEU 36 2HD2 LEU 36 11.713 -12.257 0.589 204 H CYS 37 H CYS 37 6.178 -11.478 2.587 205 HA CYS 37 HA CYS 37 4.861 -8.779 2.540 206 HB2 CYS 37 1HB CYS 37 3.386 -10.914 1.814 207 HB3 CYS 37 2HB CYS 37 3.316 -11.170 3.567 208 H GLY 38 H GLY 38 3.339 -9.690 5.004 209 HA2 GLY 38 1HA GLY 38 4.478 -8.648 7.158 210 HA3 GLY 38 2HA GLY 38 3.599 -10.158 7.288 211 H SER 39 H SER 39 6.157 -8.559 8.297 212 HA SER 39 HA SER 39 8.155 -9.022 9.243 213 HB2 SER 39 1HB SER 39 7.173 -11.894 9.300 214 HB3 SER 39 2HB SER 39 8.606 -11.292 10.160 215 HG SER 39 HG SER 39 6.024 -10.170 10.341 216 H HIS 40 H HIS 40 7.720 -11.570 6.724 217 HA HIS 40 HA HIS 40 10.546 -11.964 6.270 218 HB2 HIS 40 1HB HIS 40 8.094 -12.238 4.437 219 HB3 HIS 40 2HB HIS 40 9.737 -12.703 3.975 220 HD1 HIS 40 HD1 HIS 40 7.421 -14.778 4.094 221 HD2 HIS 40 HD2 HIS 40 10.220 -14.150 7.165 222 HE1 HIS 40 HE1 HIS 40 7.575 -16.962 5.480 223 HE2 HIS 40 HE2 HIS 40 9.235 -16.549 7.328 224 H LEU 41 H LEU 41 8.300 -9.645 4.804 225 HA LEU 41 HA LEU 41 10.141 -8.723 2.816 226 HB2 LEU 41 1HB LEU 41 7.701 -8.251 2.737 227 HB3 LEU 41 2HB LEU 41 7.831 -7.349 4.262 228 HG LEU 41 HG LEU 41 9.149 -5.600 3.181 229 HD11 LEU 41 1HD1 LEU 41 9.249 -5.544 0.652 230 HD12 LEU 41 2HD1 LEU 41 8.657 -7.215 0.649 231 HD13 LEU 41 3HD1 LEU 41 10.229 -6.849 1.358 232 HD21 LEU 41 3HD2 LEU 41 7.249 -4.761 1.762 233 HD22 LEU 41 1HD2 LEU 41 6.765 -5.340 3.356 234 HD23 LEU 41 2HD2 LEU 41 6.482 -6.357 1.925 235 H VAL 42 H VAL 42 9.439 -7.280 6.063 236 HA VAL 42 HA VAL 42 11.388 -5.263 5.676 237 HB VAL 42 HB VAL 42 9.471 -5.124 7.413 238 HG11 VAL 42 1HG1 VAL 42 11.272 -6.896 9.146 239 HG12 VAL 42 2HG1 VAL 42 9.733 -6.110 9.623 240 HG13 VAL 42 3HG1 VAL 42 9.744 -7.371 8.415 241 HG21 VAL 42 3HG2 VAL 42 10.661 -3.740 8.970 242 HG22 VAL 42 1HG2 VAL 42 12.202 -4.580 8.723 243 HG23 VAL 42 2HG2 VAL 42 11.489 -3.588 7.427 244 H GLU 43 H GLU 43 11.494 -8.546 7.021 245 HA GLU 43 HA GLU 43 14.161 -8.350 7.989 246 HB2 GLU 43 1HB GLU 43 12.335 -10.074 8.564 247 HB3 GLU 43 2HB GLU 43 12.756 -10.874 7.041 248 HG2 GLU 43 1HG GLU 43 14.974 -11.357 7.773 249 HG3 GLU 43 2HG GLU 43 14.834 -10.330 9.192 250 HE2 GLU 43 HE2 GLU 43 12.799 -13.704 9.270 251 H ALA 44 H ALA 44 12.911 -9.529 4.749 252 HA ALA 44 HA ALA 44 15.566 -10.218 3.912 253 HB1 ALA 44 3HB ALA 44 14.626 -10.175 1.663 254 HB2 ALA 44 1HB ALA 44 13.613 -11.073 2.779 255 HB3 ALA 44 2HB ALA 44 13.128 -9.420 2.326 256 H LEU 45 H LEU 45 13.573 -7.227 3.612 257 HA LEU 45 HA LEU 45 15.355 -5.631 2.098 258 HB2 LEU 45 1HB LEU 45 12.977 -5.125 2.884 259 HB3 LEU 45 2HB LEU 45 13.692 -4.677 4.437 260 HG LEU 45 HG LEU 45 15.010 -2.907 3.220 261 HD11 LEU 45 1HD1 LEU 45 14.255 -2.060 1.173 262 HD12 LEU 45 2HD1 LEU 45 13.199 -3.471 0.932 263 HD13 LEU 45 3HD1 LEU 45 14.961 -3.677 0.991 264 HD21 LEU 45 3HD2 LEU 45 11.956 -2.632 2.970 265 HD22 LEU 45 1HD2 LEU 45 13.156 -1.339 3.175 266 HD23 LEU 45 2HD2 LEU 45 12.866 -2.505 4.485 267 H TYR 46 H TYR 46 15.230 -6.144 5.650 268 HA TYR 46 HA TYR 46 17.450 -4.367 6.185 269 HB2 TYR 46 1HB TYR 46 16.106 -4.938 8.050 270 HB3 TYR 46 2HB TYR 46 16.160 -6.667 7.663 271 HD1 TYR 46 HD2 TYR 46 18.326 -3.772 8.799 272 HD2 TYR 46 HD1 TYR 46 17.908 -8.039 8.584 273 HE1 TYR 46 HE2 TYR 46 20.288 -3.983 10.308 274 HE2 TYR 46 HE1 TYR 46 19.969 -8.316 9.923 275 HH TYR 46 HH TYR 46 21.565 -7.146 11.260 276 H LEU 47 H LEU 47 17.266 -7.870 5.589 277 HA LEU 47 HA LEU 47 20.042 -8.264 5.900 278 HB2 LEU 47 1HB LEU 47 17.939 -9.839 4.346 279 HB3 LEU 47 2HB LEU 47 19.644 -10.319 4.438 280 HG LEU 47 HG LEU 47 17.865 -9.966 6.865 281 HD11 LEU 47 1HD1 LEU 47 18.694 -12.571 5.685 282 HD12 LEU 47 2HD1 LEU 47 17.212 -11.792 5.198 283 HD13 LEU 47 3HD1 LEU 47 17.469 -12.258 6.873 284 HD21 LEU 47 3HD2 LEU 47 20.264 -9.722 7.406 285 HD22 LEU 47 1HD2 LEU 47 20.671 -11.164 6.446 286 HD23 LEU 47 2HD2 LEU 47 19.757 -11.370 7.928 287 H VAL 48 H VAL 48 18.289 -7.227 2.898 288 HA VAL 48 HA VAL 48 20.719 -7.475 1.353 289 HB VAL 48 HB VAL 48 19.465 -6.282 -0.462 290 HG11 VAL 48 1HG1 VAL 48 17.721 -8.037 -0.906 291 HG12 VAL 48 2HG1 VAL 48 19.265 -8.723 -0.360 292 HG13 VAL 48 3HG1 VAL 48 17.912 -8.584 0.774 293 HG21 VAL 48 3HG2 VAL 48 16.944 -5.951 -0.187 294 HG22 VAL 48 1HG2 VAL 48 17.252 -6.134 1.586 295 HG23 VAL 48 2HG2 VAL 48 17.963 -4.796 0.688 296 H CYS 49 H CYS 49 19.245 -4.940 3.253 297 HA CYS 49 HA CYS 49 20.876 -2.828 2.083 298 HB2 CYS 49 1HB CYS 49 19.307 -2.943 4.656 299 HB3 CYS 49 2HB CYS 49 20.243 -1.538 4.108 300 H GLY 50 H GLY 50 20.911 -4.554 5.289 301 HA2 GLY 50 1HA GLY 50 22.708 -4.748 6.794 302 HA3 GLY 50 2HA GLY 50 23.801 -4.500 5.458 303 H GLU 51 H GLU 51 21.577 -1.901 6.246 304 HA GLU 51 HA GLU 51 23.964 -0.279 6.509 305 HB2 GLU 51 1HB GLU 51 21.021 0.440 6.517 306 HB3 GLU 51 2HB GLU 51 22.294 1.619 6.409 307 HG2 GLU 51 1HG GLU 51 22.078 -0.481 4.260 308 HG3 GLU 51 2HG GLU 51 21.217 1.059 4.189 309 HE2 GLU 51 HE2 GLU 51 22.171 2.167 2.807 310 H GLN 52 H GLN 52 20.928 -0.362 8.496 311 HA GLN 52 HA GLN 52 22.650 -0.134 10.940 312 HB2 GLN 52 1HB GLN 52 20.275 1.666 10.277 313 HB3 GLN 52 2HB GLN 52 21.104 1.611 11.813 314 HG2 GLN 52 1HG GLN 52 22.276 2.520 9.151 315 HG3 GLN 52 2HG GLN 52 21.766 3.576 10.452 316 HE21 GLN 52 2HE2 GLN 52 24.215 3.586 9.169 317 HE22 GLN 52 1HE2 GLN 52 25.450 3.246 10.393 318 H GLY 53 H GLY 53 19.486 -0.882 9.522 319 HA2 GLY 53 1HA GLY 53 18.082 -2.606 10.609 320 HA3 GLY 53 2HA GLY 53 18.738 -2.065 12.157 321 H PHE 54 H PHE 54 15.898 -2.066 10.687 322 HA PHE 54 HA PHE 54 15.333 0.781 10.665 323 HB2 PHE 54 1HB PHE 54 13.344 -1.493 10.725 324 HB3 PHE 54 2HB PHE 54 13.089 0.146 10.083 325 HD1 PHE 54 HD2 PHE 54 14.917 0.876 8.265 326 HD2 PHE 54 HD1 PHE 54 13.719 -3.123 9.122 327 HE1 PHE 54 HE2 PHE 54 15.729 0.197 6.035 328 HE2 PHE 54 HE1 PHE 54 14.498 -3.825 6.818 329 HZ PHE 54 HZ PHE 54 15.518 -2.158 5.332 330 H PHE 55 H PHE 55 15.204 -1.769 12.952 331 HA PHE 55 HA PHE 55 13.895 0.021 14.944 332 HB2 PHE 55 1HB PHE 55 13.479 -2.886 14.300 333 HB3 PHE 55 2HB PHE 55 13.420 -2.401 16.021 334 HD1 PHE 55 HD1 PHE 55 11.905 -0.509 16.759 335 HD2 PHE 55 HD2 PHE 55 11.525 -2.527 12.936 336 HE1 PHE 55 HE1 PHE 55 9.611 0.318 16.558 337 HE2 PHE 55 HE2 PHE 55 9.173 -1.728 12.770 338 HZ PHE 55 HZ PHE 55 8.210 -0.263 14.598 339 H TYR 56 H TYR 56 16.177 0.788 14.947 340 HA TYR 56 HA TYR 56 17.587 -0.701 17.062 341 HB2 TYR 56 1HB TYR 56 18.777 -1.444 15.108 342 HB3 TYR 56 2HB TYR 56 18.914 0.245 14.511 343 HD1 TYR 56 HD2 TYR 56 19.952 -2.082 17.284 344 HD2 TYR 56 HD1 TYR 56 20.666 1.723 15.421 345 HE1 TYR 56 HE2 TYR 56 21.981 -1.841 18.621 346 HE2 TYR 56 HE1 TYR 56 22.702 2.014 16.852 347 HH TYR 56 HH TYR 56 23.785 -0.505 19.129 348 H THR 57 H THR 57 18.159 0.663 18.668 349 HA THR 57 HA THR 57 18.697 3.477 17.949 350 HB THR 57 HB THR 57 17.630 4.219 20.132 351 HG1 THR 57 HG1 THR 57 17.203 2.365 21.279 352 HG21 THR 57 1HG2 THR 57 16.402 4.775 18.074 353 HG22 THR 57 2HG2 THR 57 15.254 4.176 19.286 354 HG23 THR 57 3HG2 THR 57 15.794 3.110 17.970 355 HA PRO 58 HA PRO 58 22.062 2.261 20.445 356 HB2 PRO 58 1HB PRO 58 23.179 4.596 21.273 357 HB3 PRO 58 2HB PRO 58 23.284 4.052 19.566 358 HG2 PRO 58 1HG PRO 58 21.333 5.944 20.848 359 HG3 PRO 58 2HG PRO 58 22.241 6.162 19.309 360 HD2 PRO 58 1HD PRO 58 19.680 5.408 19.364 361 HD3 PRO 58 2HD PRO 58 20.836 4.808 18.128 362 H LYS 59 H LYS 59 22.950 2.586 22.788 363 HA LYS 59 HA LYS 59 20.748 3.563 24.591 364 HB2 LYS 59 1HB LYS 59 21.095 1.068 24.532 365 HB3 LYS 59 2HB LYS 59 22.711 1.349 25.168 366 HG2 LYS 59 1HG LYS 59 21.660 2.486 27.185 367 HG3 LYS 59 2HG LYS 59 20.096 2.027 26.537 368 HD2 LYS 59 1HD LYS 59 20.791 0.614 28.269 369 HD3 LYS 59 2HD LYS 59 20.663 -0.311 26.772 370 HE2 LYS 59 1HE LYS 59 23.112 -0.191 26.488 371 HE3 LYS 59 2HE LYS 59 23.245 0.676 28.027 372 HZ1 LYS 59 3HZ LYS 59 22.313 -1.323 29.035 373 HZ2 LYS 59 1HZ LYS 59 23.690 -1.641 28.303 374 HZ3 LYS 59 2HZ LYS 59 22.297 -2.054 27.603 375 H THR 60 H THR 60 21.331 5.075 26.003 376 HA THR 60 HA THR 60 24.007 5.174 27.236 377 HB THR 60 HB THR 60 24.503 6.442 25.109 378 HG1 THR 60 HG1 THR 60 25.253 8.394 26.205 379 HG21 THR 60 1HG2 THR 60 23.538 8.767 24.805 380 HG22 THR 60 2HG2 THR 60 22.375 8.448 26.006 381 HG23 THR 60 3HG2 THR 60 22.346 7.535 24.481 382 HXT THR 60 H02 THR 60 20.950 7.019 28.632 Start of MODEL 14 1 H1 GLY 1 2H0 GLY 1 2.771 1.352 -1.510 2 H2 GLY 1 1H0 GLY 1 1.629 0.724 -0.570 3 HA2 GLY 1 1HA GLY 1 4.307 1.435 0.481 4 HA3 GLY 1 2HA GLY 1 3.120 0.395 1.261 5 H ILE 2 H ILE 2 5.890 0.026 0.683 6 HA ILE 2 HA ILE 2 6.367 -1.799 -1.444 7 HB ILE 2 HB ILE 2 8.161 -0.704 -0.103 8 HG12 ILE 2 1HG1 ILE 2 8.305 -3.760 -0.216 9 HG13 ILE 2 2HG1 ILE 2 8.715 -2.641 -1.503 10 HG21 ILE 2 1HG2 ILE 2 8.774 -1.523 2.185 11 HG22 ILE 2 2HG2 ILE 2 7.076 -1.053 2.209 12 HG23 ILE 2 3HG2 ILE 2 7.509 -2.737 2.118 13 HD11 ILE 2 3HD1 ILE 2 10.753 -3.376 -0.631 14 HD12 ILE 2 1HD1 ILE 2 10.516 -1.757 0.081 15 HD13 ILE 2 2HD1 ILE 2 10.205 -3.204 1.058 16 H VAL 3 H VAL 3 5.046 -2.554 1.817 17 HA VAL 3 HA VAL 3 5.364 -5.404 1.406 18 HB VAL 3 HB VAL 3 3.421 -3.856 3.167 19 HG11 VAL 3 1HG1 VAL 3 4.181 -6.829 2.927 20 HG12 VAL 3 2HG1 VAL 3 3.557 -6.129 4.447 21 HG13 VAL 3 3HG1 VAL 3 2.576 -6.086 2.984 22 HG21 VAL 3 3HG2 VAL 3 6.123 -5.083 3.823 23 HG22 VAL 3 1HG2 VAL 3 5.759 -3.344 3.680 24 HG23 VAL 3 2HG2 VAL 3 4.989 -4.347 4.969 25 H GLU 4 H GLU 4 2.472 -3.322 0.937 26 HA GLU 4 HA GLU 4 0.817 -5.484 -0.077 27 HB2 GLU 4 1HB GLU 4 -0.829 -3.921 -0.597 28 HB3 GLU 4 2HB GLU 4 -0.112 -3.428 0.963 29 HG2 GLU 4 1HG GLU 4 1.173 -1.580 -0.204 30 HG3 GLU 4 2HG GLU 4 0.460 -2.084 -1.744 31 HE2 GLU 4 HE2 GLU 4 -1.372 0.658 -0.739 32 H GLN 5 H GLN 5 3.156 -3.250 -1.536 33 HA GLN 5 HA GLN 5 2.248 -3.735 -4.245 34 HB2 GLN 5 1HB GLN 5 3.560 -1.801 -3.407 35 HB3 GLN 5 2HB GLN 5 4.984 -2.828 -3.330 36 HG2 GLN 5 1HG GLN 5 4.986 -3.191 -5.682 37 HG3 GLN 5 2HG GLN 5 3.347 -2.539 -5.852 38 HE21 GLN 5 2HE2 GLN 5 4.866 -1.311 -7.557 39 HE22 GLN 5 1HE2 GLN 5 5.516 0.253 -7.031 40 H CYS 6 H CYS 6 4.908 -5.096 -2.247 41 HA CYS 6 HA CYS 6 5.663 -6.897 -4.400 42 HB2 CYS 6 1HB CYS 6 6.516 -6.697 -1.481 43 HB3 CYS 6 2HB CYS 6 7.188 -7.860 -2.649 44 H CYS 7 H CYS 7 3.367 -7.142 -1.761 45 HA CYS 7 HA CYS 7 3.575 -10.083 -1.699 46 HB2 CYS 7 1HB CYS 7 3.135 -8.538 0.316 47 HB3 CYS 7 2HB CYS 7 1.557 -8.247 -0.381 48 H THR 8 H THR 8 3.012 -9.059 -4.154 49 HA THR 8 HA THR 8 0.317 -10.349 -4.601 50 HB THR 8 HB THR 8 -0.085 -8.687 -6.448 51 HG1 THR 8 HG1 THR 8 1.565 -6.790 -5.268 52 HG21 THR 8 1HG2 THR 8 0.199 -7.342 -3.766 53 HG22 THR 8 2HG2 THR 8 -1.057 -8.574 -4.091 54 HG23 THR 8 3HG2 THR 8 -1.018 -7.074 -5.028 55 H SER 9 H SER 9 2.331 -8.877 -7.053 56 HA SER 9 HA SER 9 3.206 -11.501 -8.130 57 HB2 SER 9 1HB SER 9 2.511 -9.673 -9.668 58 HB3 SER 9 2HB SER 9 3.857 -8.683 -9.008 59 HG SER 9 HG SER 9 3.805 -10.799 -10.787 60 H ILE 10 H ILE 10 5.466 -12.113 -8.127 61 HA ILE 10 HA ILE 10 6.691 -11.364 -5.622 62 HB ILE 10 HB ILE 10 7.927 -12.818 -8.048 63 HG12 ILE 10 1HG1 ILE 10 6.889 -13.949 -5.417 64 HG13 ILE 10 2HG1 ILE 10 5.956 -13.929 -6.909 65 HG21 ILE 10 1HG2 ILE 10 9.580 -13.609 -6.087 66 HG22 ILE 10 2HG2 ILE 10 9.809 -11.964 -6.712 67 HG23 ILE 10 3HG2 ILE 10 8.927 -12.247 -5.189 68 HD11 ILE 10 3HD1 ILE 10 6.857 -16.186 -6.769 69 HD12 ILE 10 1HD1 ILE 10 7.777 -15.350 -8.023 70 HD13 ILE 10 2HD1 ILE 10 8.518 -15.609 -6.414 71 H CYS 11 H CYS 11 7.782 -9.508 -5.226 72 HA CYS 11 HA CYS 11 8.742 -7.686 -7.230 73 HB2 CYS 11 1HB CYS 11 9.155 -8.096 -4.301 74 HB3 CYS 11 2HB CYS 11 10.269 -7.008 -5.176 75 H SER 12 H SER 12 10.397 -8.234 -8.650 76 HA SER 12 HA SER 12 12.267 -10.359 -8.131 77 HB2 SER 12 1HB SER 12 12.497 -7.937 -10.015 78 HB3 SER 12 2HB SER 12 13.498 -9.417 -10.077 79 HG SER 12 HG SER 12 11.817 -9.782 -11.463 80 H LEU 13 H LEU 13 14.497 -10.240 -7.501 81 HA LEU 13 HA LEU 13 14.819 -8.387 -5.375 82 HB2 LEU 13 1HB LEU 13 16.938 -9.342 -4.969 83 HB3 LEU 13 2HB LEU 13 15.768 -10.608 -5.364 84 HG LEU 13 HG LEU 13 17.318 -9.671 -7.660 85 HD11 LEU 13 1HD1 LEU 13 19.013 -9.257 -5.926 86 HD12 LEU 13 2HD1 LEU 13 19.459 -10.730 -6.815 87 HD13 LEU 13 3HD1 LEU 13 18.698 -10.853 -5.190 88 HD21 LEU 13 3HD2 LEU 13 16.803 -12.323 -6.336 89 HD22 LEU 13 1HD2 LEU 13 17.732 -12.138 -7.832 90 HD23 LEU 13 2HD2 LEU 13 16.016 -11.686 -7.798 91 H TYR 14 H TYR 14 15.589 -8.082 -8.694 92 HA TYR 14 HA TYR 14 17.539 -5.996 -8.548 93 HB2 TYR 14 1HB TYR 14 17.148 -7.285 -10.603 94 HB3 TYR 14 2HB TYR 14 15.470 -6.777 -10.638 95 HD1 TYR 14 HD1 TYR 14 18.993 -5.358 -10.724 96 HD2 TYR 14 HD2 TYR 14 14.869 -4.756 -11.892 97 HE1 TYR 14 HE1 TYR 14 19.658 -3.343 -12.042 98 HE2 TYR 14 HE2 TYR 14 15.559 -2.731 -13.233 99 HH TYR 14 HH TYR 14 19.074 -1.799 -13.407 100 H GLN 15 H GLN 15 13.974 -6.148 -8.515 101 HA GLN 15 HA GLN 15 13.715 -3.207 -8.623 102 HB2 GLN 15 1HB GLN 15 12.040 -4.900 -9.470 103 HB3 GLN 15 2HB GLN 15 11.663 -5.271 -7.767 104 HG2 GLN 15 1HG GLN 15 10.919 -3.096 -7.291 105 HG3 GLN 15 2HG GLN 15 11.490 -2.492 -8.880 106 HE21 GLN 15 2HE2 GLN 15 9.499 -1.757 -9.564 107 HE22 GLN 15 1HE2 GLN 15 8.190 -2.873 -9.865 108 H LEU 16 H LEU 16 13.605 -5.771 -6.133 109 HA LEU 16 HA LEU 16 12.996 -4.150 -3.911 110 HB2 LEU 16 1HB LEU 16 13.091 -6.686 -3.954 111 HB3 LEU 16 2HB LEU 16 14.828 -6.568 -3.942 112 HG LEU 16 HG LEU 16 14.433 -5.210 -1.739 113 HD11 LEU 16 1HD1 LEU 16 11.736 -6.616 -2.041 114 HD12 LEU 16 2HD1 LEU 16 12.007 -4.849 -1.903 115 HD13 LEU 16 3HD1 LEU 16 12.305 -5.901 -0.515 116 HD21 LEU 16 3HD2 LEU 16 15.510 -7.214 -1.529 117 HD22 LEU 16 1HD2 LEU 16 14.056 -8.132 -1.961 118 HD23 LEU 16 2HD2 LEU 16 14.105 -7.289 -0.406 119 H GLU 17 H GLU 17 16.064 -4.694 -5.568 120 HA GLU 17 HA GLU 17 17.914 -3.466 -3.753 121 HB2 GLU 17 1HB GLU 17 17.842 -4.211 -6.589 122 HB3 GLU 17 2HB GLU 17 18.633 -2.652 -6.321 123 HG2 GLU 17 1HG GLU 17 20.101 -3.682 -4.633 124 HG3 GLU 17 2HG GLU 17 19.385 -5.260 -5.008 125 HE2 GLU 17 HE2 GLU 17 22.294 -3.822 -7.083 126 H ASN 18 H ASN 18 15.531 -1.998 -6.027 127 HA ASN 18 HA ASN 18 16.802 0.631 -5.896 128 HB2 ASN 18 1HB ASN 18 15.102 -0.167 -7.649 129 HB3 ASN 18 2HB ASN 18 13.807 0.085 -6.444 130 HD21 ASN 18 2HD2 ASN 18 12.737 1.758 -7.396 131 HD22 ASN 18 1HD2 ASN 18 13.447 3.325 -7.725 132 H TYR 19 H TYR 19 14.651 -1.122 -3.692 133 HA TYR 19 HA TYR 19 13.746 1.357 -2.307 134 HB2 TYR 19 1HB TYR 19 13.712 -1.591 -1.401 135 HB3 TYR 19 2HB TYR 19 13.098 -0.189 -0.464 136 HD1 TYR 19 HD2 TYR 19 11.034 0.943 -1.169 137 HD2 TYR 19 HD1 TYR 19 12.563 -2.326 -3.432 138 HE1 TYR 19 HE2 TYR 19 8.884 0.718 -2.327 139 HE2 TYR 19 HE1 TYR 19 10.414 -2.528 -4.633 140 HH TYR 19 HH TYR 19 8.274 -1.699 -4.863 141 H CYS 20 H CYS 20 16.693 -0.336 -2.500 142 HA CYS 20 HA CYS 20 17.662 1.204 -0.137 143 HB2 CYS 20 1HB CYS 20 17.207 -1.445 0.174 144 HB3 CYS 20 2HB CYS 20 18.806 -1.534 -0.562 145 H ASN 21 H ASN 21 17.802 2.142 -2.453 146 HA ASN 21 HA ASN 21 19.700 1.218 -4.377 147 HB2 ASN 21 1HB ASN 21 17.713 2.818 -4.796 148 HB3 ASN 21 2HB ASN 21 18.768 4.092 -4.123 149 HD21 ASN 21 2HD2 ASN 21 18.679 5.192 -6.257 150 HD22 ASN 21 1HD2 ASN 21 19.771 4.553 -7.478 151 HXT ASN 21 H02 ASN 21 21.517 0.966 -3.851 152 H1 PHE 31 2H0 PHE 31 20.753 -16.990 -2.744 153 H2 PHE 31 1H0 PHE 31 21.170 -15.821 -3.737 154 HA PHE 31 HA PHE 31 19.113 -15.628 -1.604 155 HB2 PHE 31 1HB PHE 31 20.188 -13.425 -2.472 156 HB3 PHE 31 2HB PHE 31 19.432 -13.704 -3.995 157 HD1 PHE 31 HD2 PHE 31 18.781 -12.879 -0.455 158 HD2 PHE 31 HD1 PHE 31 16.900 -13.276 -4.288 159 HE1 PHE 31 HE2 PHE 31 16.792 -11.840 0.469 160 HE2 PHE 31 HE1 PHE 31 14.816 -12.300 -3.356 161 HZ PHE 31 HZ PHE 31 14.819 -11.596 -1.007 162 H VAL 32 H VAL 32 17.010 -15.680 -2.116 163 HA VAL 32 HA VAL 32 16.208 -17.063 -4.646 164 HB VAL 32 HB VAL 32 16.620 -18.861 -3.064 165 HG11 VAL 32 1HG1 VAL 32 16.225 -17.779 -0.922 166 HG12 VAL 32 2HG1 VAL 32 14.479 -17.672 -1.308 167 HG13 VAL 32 3HG1 VAL 32 15.240 -19.280 -1.089 168 HG21 VAL 32 3HG2 VAL 32 14.886 -19.029 -4.795 169 HG22 VAL 32 1HG2 VAL 32 14.520 -20.063 -3.403 170 HG23 VAL 32 2HG2 VAL 32 13.666 -18.517 -3.603 171 H ASN 33 H ASN 33 14.482 -16.339 -5.567 172 HA ASN 33 HA ASN 33 13.020 -14.127 -4.203 173 HB2 ASN 33 1HB ASN 33 12.068 -13.616 -6.327 174 HB3 ASN 33 2HB ASN 33 13.757 -13.967 -6.656 175 HD21 ASN 33 2HD2 ASN 33 14.289 -15.888 -7.802 176 HD22 ASN 33 1HD2 ASN 33 13.047 -16.752 -8.654 177 H GLN 34 H GLN 34 11.211 -14.458 -3.086 178 HA GLN 34 HA GLN 34 9.405 -16.741 -3.736 179 HB2 GLN 34 1HB GLN 34 10.407 -16.209 -0.936 180 HB3 GLN 34 2HB GLN 34 9.324 -17.455 -1.430 181 HG2 GLN 34 1HG GLN 34 11.076 -18.580 -2.736 182 HG3 GLN 34 2HG GLN 34 12.257 -17.322 -2.245 183 HE21 GLN 34 2HE2 GLN 34 12.213 -16.994 0.303 184 HE22 GLN 34 1HE2 GLN 34 12.408 -18.524 1.146 185 H HIS 35 H HIS 35 7.405 -16.592 -2.218 186 HA HIS 35 HA HIS 35 6.330 -13.892 -2.584 187 HB2 HIS 35 1HB HIS 35 5.087 -16.426 -1.403 188 HB3 HIS 35 2HB HIS 35 4.206 -14.901 -1.606 189 HD1 HIS 35 HD1 HIS 35 4.021 -14.018 -4.266 190 HD2 HIS 35 HD2 HIS 35 4.943 -18.057 -3.620 191 HE1 HIS 35 HE1 HIS 35 3.657 -15.228 -6.454 192 HE2 HIS 35 HE2 HIS 35 4.251 -17.645 -6.057 193 H LEU 36 H LEU 36 7.418 -12.471 -1.073 194 HA LEU 36 HA LEU 36 7.095 -13.300 1.763 195 HB2 LEU 36 1HB LEU 36 9.074 -11.602 0.336 196 HB3 LEU 36 2HB LEU 36 8.626 -11.105 1.980 197 HG LEU 36 HG LEU 36 9.515 -13.198 2.852 198 HD11 LEU 36 1HD1 LEU 36 10.219 -13.989 0.004 199 HD12 LEU 36 2HD1 LEU 36 8.898 -14.695 0.921 200 HD13 LEU 36 3HD1 LEU 36 10.541 -14.928 1.479 201 HD21 LEU 36 3HD2 LEU 36 11.159 -11.498 2.596 202 HD22 LEU 36 1HD2 LEU 36 11.333 -11.857 0.855 203 HD23 LEU 36 2HD2 LEU 36 11.915 -13.006 2.068 204 H CYS 37 H CYS 37 6.042 -12.049 3.244 205 HA CYS 37 HA CYS 37 4.729 -9.628 2.085 206 HB2 CYS 37 1HB CYS 37 3.454 -11.937 2.349 207 HB3 CYS 37 2HB CYS 37 3.306 -11.435 4.016 208 H GLY 38 H GLY 38 3.247 -9.527 4.681 209 HA2 GLY 38 1HA GLY 38 4.603 -7.579 5.996 210 HA3 GLY 38 2HA GLY 38 3.450 -8.654 6.786 211 H SER 39 H SER 39 6.025 -7.256 7.563 212 HA SER 39 HA SER 39 7.778 -7.684 8.974 213 HB2 SER 39 1HB SER 39 6.026 -9.033 10.137 214 HB3 SER 39 2HB SER 39 6.642 -10.507 9.337 215 HG SER 39 HG SER 39 8.034 -8.772 11.098 216 H HIS 40 H HIS 40 7.470 -10.903 7.330 217 HA HIS 40 HA HIS 40 10.334 -11.291 7.358 218 HB2 HIS 40 1HB HIS 40 8.065 -12.806 6.620 219 HB3 HIS 40 2HB HIS 40 8.973 -12.645 5.123 220 HD1 HIS 40 HD1 HIS 40 11.332 -13.817 5.031 221 HD2 HIS 40 HD2 HIS 40 9.286 -14.249 8.669 222 HE1 HIS 40 HE1 HIS 40 12.554 -15.650 6.385 223 HE2 HIS 40 HE2 HIS 40 11.334 -15.840 8.556 224 H LEU 41 H LEU 41 8.276 -9.570 4.933 225 HA LEU 41 HA LEU 41 10.357 -9.527 2.876 226 HB2 LEU 41 1HB LEU 41 7.939 -9.035 2.397 227 HB3 LEU 41 2HB LEU 41 8.060 -7.577 3.373 228 HG LEU 41 HG LEU 41 9.795 -6.717 1.726 229 HD11 LEU 41 1HD1 LEU 41 10.454 -8.784 0.582 230 HD12 LEU 41 2HD1 LEU 41 9.733 -7.673 -0.562 231 HD13 LEU 41 3HD1 LEU 41 8.763 -9.053 0.038 232 HD21 LEU 41 3HD2 LEU 41 6.948 -7.331 0.907 233 HD22 LEU 41 1HD2 LEU 41 8.015 -6.183 0.065 234 HD23 LEU 41 2HD2 LEU 41 7.588 -5.893 1.782 235 H VAL 42 H VAL 42 9.495 -7.478 5.618 236 HA VAL 42 HA VAL 42 11.409 -5.378 5.019 237 HB VAL 42 HB VAL 42 10.175 -6.246 7.692 238 HG11 VAL 42 1HG1 VAL 42 10.545 -3.747 8.230 239 HG12 VAL 42 2HG1 VAL 42 12.048 -4.656 7.998 240 HG13 VAL 42 3HG1 VAL 42 11.417 -3.618 6.670 241 HG21 VAL 42 3HG2 VAL 42 8.389 -5.866 6.098 242 HG22 VAL 42 1HG2 VAL 42 8.441 -4.579 7.262 243 HG23 VAL 42 2HG2 VAL 42 9.081 -4.310 5.654 244 H GLU 43 H GLU 43 11.446 -8.420 6.875 245 HA GLU 43 HA GLU 43 14.009 -7.964 8.121 246 HB2 GLU 43 1HB GLU 43 12.272 -9.611 8.837 247 HB3 GLU 43 2HB GLU 43 12.719 -10.664 7.511 248 HG2 GLU 43 1HG GLU 43 14.954 -10.889 8.474 249 HG3 GLU 43 2HG GLU 43 14.473 -9.735 9.729 250 HE2 GLU 43 HE2 GLU 43 13.759 -13.497 10.158 251 H ALA 44 H ALA 44 13.034 -9.653 5.060 252 HA ALA 44 HA ALA 44 15.728 -10.399 4.311 253 HB1 ALA 44 3HB ALA 44 13.354 -9.728 2.565 254 HB2 ALA 44 1HB ALA 44 14.831 -10.504 2.004 255 HB3 ALA 44 2HB ALA 44 13.783 -11.339 3.156 256 H LEU 45 H LEU 45 13.806 -7.410 3.699 257 HA LEU 45 HA LEU 45 15.785 -6.078 2.180 258 HB2 LEU 45 1HB LEU 45 13.347 -5.433 2.668 259 HB3 LEU 45 2HB LEU 45 13.867 -4.831 4.197 260 HG LEU 45 HG LEU 45 15.416 -3.239 2.979 261 HD11 LEU 45 1HD1 LEU 45 14.929 -2.829 0.562 262 HD12 LEU 45 2HD1 LEU 45 13.691 -4.118 0.584 263 HD13 LEU 45 3HD1 LEU 45 15.417 -4.556 0.787 264 HD21 LEU 45 3HD2 LEU 45 12.488 -2.926 2.240 265 HD22 LEU 45 1HD2 LEU 45 13.700 -1.663 2.532 266 HD23 LEU 45 2HD2 LEU 45 13.096 -2.686 3.864 267 H TYR 46 H TYR 46 15.324 -6.267 5.811 268 HA TYR 46 HA TYR 46 17.427 -4.373 6.439 269 HB2 TYR 46 1HB TYR 46 15.945 -4.870 8.147 270 HB3 TYR 46 2HB TYR 46 15.960 -6.625 7.810 271 HD1 TYR 46 HD2 TYR 46 18.135 -3.919 9.275 272 HD2 TYR 46 HD1 TYR 46 17.351 -8.127 8.888 273 HE1 TYR 46 HE2 TYR 46 19.747 -4.401 11.122 274 HE2 TYR 46 HE1 TYR 46 19.027 -8.565 10.766 275 HH TYR 46 HH TYR 46 20.569 -7.591 12.170 276 H LEU 47 H LEU 47 17.432 -7.916 5.923 277 HA LEU 47 HA LEU 47 20.196 -8.167 6.673 278 HB2 LEU 47 1HB LEU 47 18.417 -9.939 4.957 279 HB3 LEU 47 2HB LEU 47 20.044 -10.361 5.438 280 HG LEU 47 HG LEU 47 17.795 -9.921 7.381 281 HD11 LEU 47 1HD1 LEU 47 17.709 -12.377 7.541 282 HD12 LEU 47 2HD1 LEU 47 18.876 -12.462 6.186 283 HD13 LEU 47 3HD1 LEU 47 17.258 -11.757 5.936 284 HD21 LEU 47 3HD2 LEU 47 20.505 -11.219 7.802 285 HD22 LEU 47 1HD2 LEU 47 19.217 -11.058 9.039 286 HD23 LEU 47 2HD2 LEU 47 20.017 -9.617 8.402 287 H VAL 48 H VAL 48 18.581 -7.342 3.530 288 HA VAL 48 HA VAL 48 21.178 -7.708 2.192 289 HB VAL 48 HB VAL 48 19.019 -8.352 1.089 290 HG11 VAL 48 1HG1 VAL 48 17.701 -6.710 -0.126 291 HG12 VAL 48 2HG1 VAL 48 17.734 -6.285 1.589 292 HG13 VAL 48 3HG1 VAL 48 18.728 -5.383 0.465 293 HG21 VAL 48 3HG2 VAL 48 20.867 -6.400 -0.436 294 HG22 VAL 48 1HG2 VAL 48 21.161 -8.147 -0.189 295 HG23 VAL 48 2HG2 VAL 48 19.814 -7.635 -1.188 296 H CYS 49 H CYS 49 19.237 -4.999 3.408 297 HA CYS 49 HA CYS 49 20.951 -2.965 2.273 298 HB2 CYS 49 1HB CYS 49 19.217 -3.051 4.723 299 HB3 CYS 49 2HB CYS 49 20.030 -1.595 4.107 300 H GLY 50 H GLY 50 21.011 -4.826 5.301 301 HA2 GLY 50 1HA GLY 50 22.782 -5.196 6.749 302 HA3 GLY 50 2HA GLY 50 23.835 -4.294 5.618 303 H GLU 51 H GLU 51 21.021 -2.563 6.422 304 HA GLU 51 HA GLU 51 22.426 -0.593 8.070 305 HB2 GLU 51 1HB GLU 51 19.509 -1.104 7.503 306 HB3 GLU 51 2HB GLU 51 20.127 0.248 8.449 307 HG2 GLU 51 1HG GLU 51 20.879 -0.271 5.566 308 HG3 GLU 51 2HG GLU 51 19.555 0.781 6.077 309 HE2 GLU 51 HE2 GLU 51 23.090 2.208 5.831 310 H GLN 52 H GLN 52 21.667 -0.027 10.277 311 HA GLN 52 HA GLN 52 21.738 -2.198 12.127 312 HB2 GLN 52 1HB GLN 52 21.395 -0.594 13.815 313 HB3 GLN 52 2HB GLN 52 22.410 0.149 12.574 314 HG2 GLN 52 1HG GLN 52 20.330 1.247 11.614 315 HG3 GLN 52 2HG GLN 52 19.449 0.711 13.065 316 HE21 GLN 52 2HE2 GLN 52 19.944 3.499 12.232 317 HE22 GLN 52 1HE2 GLN 52 20.841 4.218 13.575 318 H GLY 53 H GLY 53 19.028 -1.015 10.342 319 HA2 GLY 53 1HA GLY 53 17.079 -2.727 10.796 320 HA3 GLY 53 2HA GLY 53 17.115 -2.034 12.435 321 H PHE 54 H PHE 54 14.779 -1.614 11.080 322 HA PHE 54 HA PHE 54 14.932 1.100 9.870 323 HB2 PHE 54 1HB PHE 54 12.756 -0.984 9.670 324 HB3 PHE 54 2HB PHE 54 12.763 0.565 8.867 325 HD1 PHE 54 HD1 PHE 54 15.094 1.029 7.478 326 HD2 PHE 54 HD2 PHE 54 13.377 -2.873 8.298 327 HE1 PHE 54 HE1 PHE 54 16.320 0.082 5.570 328 HE2 PHE 54 HE2 PHE 54 14.591 -3.768 6.298 329 HZ PHE 54 HZ PHE 54 16.115 -2.315 4.974 330 H PHE 55 H PHE 55 14.177 -0.403 12.740 331 HA PHE 55 HA PHE 55 12.135 1.669 13.452 332 HB2 PHE 55 1HB PHE 55 11.765 -1.056 13.790 333 HB3 PHE 55 2HB PHE 55 12.653 -0.680 15.278 334 HD1 PHE 55 HD1 PHE 55 11.712 1.232 16.729 335 HD2 PHE 55 HD2 PHE 55 9.512 -0.645 13.522 336 HE1 PHE 55 HE1 PHE 55 9.582 2.190 17.592 337 HE2 PHE 55 HE2 PHE 55 7.387 0.310 14.360 338 HZ PHE 55 HZ PHE 55 7.352 1.702 16.389 339 H TYR 56 H TYR 56 13.119 3.321 14.271 340 HA TYR 56 HA TYR 56 15.283 2.761 16.252 341 HB2 TYR 56 1HB TYR 56 16.472 3.326 14.292 342 HB3 TYR 56 2HB TYR 56 15.426 4.660 13.887 343 HD1 TYR 56 HD1 TYR 56 17.830 3.533 16.612 344 HD2 TYR 56 HD2 TYR 56 16.108 6.820 14.467 345 HE1 TYR 56 HE1 TYR 56 19.334 5.086 17.803 346 HE2 TYR 56 HE2 TYR 56 17.602 8.395 15.650 347 HH TYR 56 HH TYR 56 19.243 8.634 17.254 348 H THR 57 H THR 57 14.653 3.383 18.143 349 HA THR 57 HA THR 57 13.335 6.065 18.400 350 HB THR 57 HB THR 57 12.549 3.692 20.130 351 HG1 THR 57 HG1 THR 57 11.663 4.554 17.614 352 HG21 THR 57 1HG2 THR 57 11.078 6.296 19.545 353 HG22 THR 57 2HG2 THR 57 12.200 6.119 20.935 354 HG23 THR 57 3HG2 THR 57 10.733 5.088 20.820 355 HA PRO 58 HA PRO 58 16.999 5.766 21.152 356 HB2 PRO 58 1HB PRO 58 17.470 8.485 21.169 357 HB3 PRO 58 2HB PRO 58 18.105 7.361 19.944 358 HG2 PRO 58 1HG PRO 58 15.761 9.220 19.752 359 HG3 PRO 58 2HG PRO 58 16.982 8.793 18.533 360 HD2 PRO 58 1HD PRO 58 14.469 7.801 18.620 361 HD3 PRO 58 2HD PRO 58 15.879 6.930 17.913 362 H LYS 59 H LYS 59 15.891 5.211 23.039 363 HA LYS 59 HA LYS 59 15.445 7.567 24.749 364 HB2 LYS 59 1HB LYS 59 13.244 6.627 23.835 365 HB3 LYS 59 2HB LYS 59 13.556 5.181 24.767 366 HG2 LYS 59 1HG LYS 59 13.590 6.665 26.831 367 HG3 LYS 59 2HG LYS 59 13.175 8.039 25.784 368 HD2 LYS 59 1HD LYS 59 11.192 6.693 25.050 369 HD3 LYS 59 2HD LYS 59 11.563 5.563 26.369 370 HE2 LYS 59 1HE LYS 59 9.914 7.111 27.223 371 HE3 LYS 59 2HE LYS 59 11.501 7.439 28.023 372 HZ1 LYS 59 3HZ LYS 59 10.496 8.925 25.655 373 HZ2 LYS 59 1HZ LYS 59 11.789 9.292 26.562 374 HZ3 LYS 59 2HZ LYS 59 10.265 9.447 27.209 375 H THR 60 H THR 60 16.823 7.366 26.526 376 HA THR 60 HA THR 60 17.851 4.690 27.230 377 HB THR 60 HB THR 60 19.184 6.217 28.860 378 HG1 THR 60 HG1 THR 60 19.449 8.294 27.874 379 HG21 THR 60 1HG2 THR 60 20.808 6.679 26.849 380 HG22 THR 60 2HG2 THR 60 19.543 5.816 25.818 381 HG23 THR 60 3HG2 THR 60 20.307 4.996 27.209 382 HXT THR 60 H02 THR 60 16.560 4.476 30.340 Start of MODEL 15 1 H1 GLY 1 2H0 GLY 1 3.779 0.894 -4.227 2 H2 GLY 1 1H0 GLY 1 2.328 0.476 -3.725 3 HA2 GLY 1 1HA GLY 1 4.619 1.223 -2.009 4 HA3 GLY 1 2HA GLY 1 3.109 0.626 -1.310 5 H ILE 2 H ILE 2 6.110 -0.038 -1.429 6 HA ILE 2 HA ILE 2 6.668 -2.530 -2.560 7 HB ILE 2 HB ILE 2 8.310 -0.975 -1.380 8 HG12 ILE 2 1HG1 ILE 2 8.454 -3.949 -0.822 9 HG13 ILE 2 2HG1 ILE 2 8.993 -3.167 -2.315 10 HG21 ILE 2 1HG2 ILE 2 7.069 -0.917 0.890 11 HG22 ILE 2 2HG2 ILE 2 7.747 -2.559 1.184 12 HG23 ILE 2 3HG2 ILE 2 8.836 -1.148 0.959 13 HD11 ILE 2 3HD1 ILE 2 10.747 -1.952 -0.785 14 HD12 ILE 2 1HD1 ILE 2 10.166 -3.004 0.557 15 HD13 ILE 2 2HD1 ILE 2 10.944 -3.715 -0.870 16 H VAL 3 H VAL 3 4.937 -2.118 0.492 17 HA VAL 3 HA VAL 3 5.055 -4.955 1.171 18 HB VAL 3 HB VAL 3 2.931 -2.971 2.100 19 HG11 VAL 3 1HG1 VAL 3 2.466 -5.274 2.735 20 HG12 VAL 3 2HG1 VAL 3 4.108 -5.490 3.298 21 HG13 VAL 3 3HG1 VAL 3 3.079 -4.365 4.153 22 HG21 VAL 3 3HG2 VAL 3 5.735 -3.387 3.322 23 HG22 VAL 3 1HG2 VAL 3 5.211 -1.915 2.487 24 HG23 VAL 3 2HG2 VAL 3 4.443 -2.382 3.996 25 H GLU 4 H GLU 4 2.299 -2.933 -0.191 26 HA GLU 4 HA GLU 4 0.692 -5.281 -0.577 27 HB2 GLU 4 1HB GLU 4 -0.797 -3.843 -1.868 28 HB3 GLU 4 2HB GLU 4 -0.185 -2.971 -0.441 29 HG2 GLU 4 1HG GLU 4 1.382 -1.789 -1.803 30 HG3 GLU 4 2HG GLU 4 0.808 -2.576 -3.265 31 HE2 GLU 4 HE2 GLU 4 -2.279 -0.973 -3.166 32 H GLN 5 H GLN 5 3.237 -3.845 -2.482 33 HA GLN 5 HA GLN 5 2.566 -5.193 -4.964 34 HB2 GLN 5 1HB GLN 5 3.914 -3.060 -4.604 35 HB3 GLN 5 2HB GLN 5 5.258 -4.082 -4.079 36 HG2 GLN 5 1HG GLN 5 5.491 -5.036 -6.312 37 HG3 GLN 5 2HG GLN 5 3.846 -4.569 -6.762 38 HE21 GLN 5 2HE2 GLN 5 6.818 -3.989 -7.697 39 HE22 GLN 5 1HE2 GLN 5 6.687 -2.313 -8.108 40 H CYS 6 H CYS 6 5.040 -5.826 -2.385 41 HA CYS 6 HA CYS 6 5.908 -8.282 -3.598 42 HB2 CYS 6 1HB CYS 6 6.258 -7.150 -0.833 43 HB3 CYS 6 2HB CYS 6 6.979 -8.645 -1.403 44 H CYS 7 H CYS 7 3.314 -7.469 -1.439 45 HA CYS 7 HA CYS 7 2.998 -10.096 -0.340 46 HB2 CYS 7 1HB CYS 7 1.249 -7.676 -0.425 47 HB3 CYS 7 2HB CYS 7 0.694 -9.159 0.299 48 H THR 8 H THR 8 2.202 -8.694 -3.422 49 HA THR 8 HA THR 8 0.173 -10.821 -3.938 50 HB THR 8 HB THR 8 -0.795 -9.228 -5.544 51 HG1 THR 8 HG1 THR 8 0.462 -7.061 -4.371 52 HG21 THR 8 1HG2 THR 8 -0.571 -8.015 -2.760 53 HG22 THR 8 2HG2 THR 8 -1.637 -9.355 -3.144 54 HG23 THR 8 3HG2 THR 8 -1.900 -7.775 -3.899 55 H SER 9 H SER 9 3.164 -9.498 -4.860 56 HA SER 9 HA SER 9 3.215 -11.247 -7.264 57 HB2 SER 9 1HB SER 9 4.241 -8.405 -7.206 58 HB3 SER 9 2HB SER 9 4.300 -9.528 -8.594 59 HG SER 9 HG SER 9 2.462 -7.906 -8.341 60 H ILE 10 H ILE 10 5.593 -11.503 -7.972 61 HA ILE 10 HA ILE 10 7.265 -11.655 -5.612 62 HB ILE 10 HB ILE 10 7.887 -12.845 -8.370 63 HG12 ILE 10 1HG1 ILE 10 6.870 -14.169 -5.830 64 HG13 ILE 10 2HG1 ILE 10 5.944 -13.935 -7.314 65 HG21 ILE 10 1HG2 ILE 10 9.949 -12.373 -7.163 66 HG22 ILE 10 2HG2 ILE 10 9.266 -13.067 -5.662 67 HG23 ILE 10 3HG2 ILE 10 9.644 -14.134 -7.049 68 HD11 ILE 10 3HD1 ILE 10 7.481 -15.443 -8.590 69 HD12 ILE 10 1HD1 ILE 10 8.342 -15.793 -7.071 70 HD13 ILE 10 2HD1 ILE 10 6.637 -16.263 -7.243 71 H CYS 11 H CYS 11 8.087 -9.716 -5.195 72 HA CYS 11 HA CYS 11 8.902 -7.819 -7.328 73 HB2 CYS 11 1HB CYS 11 9.833 -6.619 -5.289 74 HB3 CYS 11 2HB CYS 11 8.111 -6.807 -5.240 75 H SER 12 H SER 12 10.628 -8.352 -8.502 76 HA SER 12 HA SER 12 12.591 -10.292 -7.817 77 HB2 SER 12 1HB SER 12 12.753 -8.028 -9.851 78 HB3 SER 12 2HB SER 12 13.790 -9.477 -9.799 79 HG SER 12 HG SER 12 12.030 -10.708 -10.410 80 H LEU 13 H LEU 13 14.746 -10.186 -7.138 81 HA LEU 13 HA LEU 13 15.450 -8.336 -5.168 82 HB2 LEU 13 1HB LEU 13 16.679 -10.441 -5.611 83 HB3 LEU 13 2HB LEU 13 17.281 -9.785 -7.119 84 HG LEU 13 HG LEU 13 18.640 -8.141 -5.819 85 HD11 LEU 13 1HD1 LEU 13 18.141 -9.775 -3.302 86 HD12 LEU 13 2HD1 LEU 13 17.079 -8.405 -3.672 87 HD13 LEU 13 3HD1 LEU 13 18.835 -8.111 -3.497 88 HD21 LEU 13 3HD2 LEU 13 19.610 -10.238 -6.632 89 HD22 LEU 13 1HD2 LEU 13 19.058 -11.083 -5.149 90 HD23 LEU 13 2HD2 LEU 13 20.294 -9.800 -5.058 91 H TYR 14 H TYR 14 15.976 -8.058 -8.641 92 HA TYR 14 HA TYR 14 17.839 -5.982 -8.623 93 HB2 TYR 14 1HB TYR 14 17.129 -7.380 -10.642 94 HB3 TYR 14 2HB TYR 14 15.649 -6.386 -10.684 95 HD1 TYR 14 HD1 TYR 14 15.677 -4.050 -11.365 96 HD2 TYR 14 HD2 TYR 14 19.301 -6.328 -11.319 97 HE1 TYR 14 HE1 TYR 14 16.830 -2.329 -12.768 98 HE2 TYR 14 HE2 TYR 14 20.464 -4.605 -12.661 99 HH TYR 14 HH TYR 14 18.851 -1.654 -13.717 100 H GLN 15 H GLN 15 14.309 -5.866 -8.382 101 HA GLN 15 HA GLN 15 14.162 -2.936 -8.440 102 HB2 GLN 15 1HB GLN 15 12.392 -5.075 -8.962 103 HB3 GLN 15 2HB GLN 15 11.936 -4.547 -7.342 104 HG2 GLN 15 1HG GLN 15 10.614 -3.069 -8.463 105 HG3 GLN 15 2HG GLN 15 12.086 -2.128 -8.755 106 HE21 GLN 15 2HE2 GLN 15 12.636 -1.745 -10.846 107 HE22 GLN 15 1HE2 GLN 15 11.988 -2.584 -12.232 108 H LEU 16 H LEU 16 13.895 -5.682 -6.061 109 HA LEU 16 HA LEU 16 13.011 -4.198 -3.875 110 HB2 LEU 16 1HB LEU 16 13.260 -6.743 -4.052 111 HB3 LEU 16 2HB LEU 16 14.980 -6.490 -3.792 112 HG LEU 16 HG LEU 16 13.967 -5.130 -1.697 113 HD11 LEU 16 1HD1 LEU 16 11.695 -5.551 -2.211 114 HD12 LEU 16 2HD1 LEU 16 12.156 -6.351 -0.687 115 HD13 LEU 16 3HD1 LEU 16 12.028 -7.321 -2.166 116 HD21 LEU 16 3HD2 LEU 16 14.423 -7.156 -0.260 117 HD22 LEU 16 1HD2 LEU 16 15.704 -6.893 -1.474 118 HD23 LEU 16 2HD2 LEU 16 14.478 -8.170 -1.761 119 H GLU 17 H GLU 17 16.351 -4.752 -4.932 120 HA GLU 17 HA GLU 17 17.582 -3.421 -2.746 121 HB2 GLU 17 1HB GLU 17 18.369 -4.490 -5.400 122 HB3 GLU 17 2HB GLU 17 19.290 -3.060 -4.962 123 HG2 GLU 17 1HG GLU 17 18.992 -5.467 -3.132 124 HG3 GLU 17 2HG GLU 17 20.348 -5.154 -4.229 125 HE2 GLU 17 HE2 GLU 17 19.812 -5.218 -1.408 126 H ASN 18 H ASN 18 15.913 -2.169 -5.576 127 HA ASN 18 HA ASN 18 17.381 0.356 -5.629 128 HB2 ASN 18 1HB ASN 18 15.753 -0.906 -7.372 129 HB3 ASN 18 2HB ASN 18 14.607 0.238 -6.596 130 HD21 ASN 18 2HD2 ASN 18 14.393 1.953 -7.939 131 HD22 ASN 18 1HD2 ASN 18 15.685 2.806 -8.734 132 H TYR 19 H TYR 19 15.148 -1.017 -3.491 133 HA TYR 19 HA TYR 19 13.786 1.553 -2.777 134 HB2 TYR 19 1HB TYR 19 13.740 -1.221 -1.604 135 HB3 TYR 19 2HB TYR 19 12.951 0.181 -0.802 136 HD1 TYR 19 HD2 TYR 19 11.069 1.325 -2.003 137 HD2 TYR 19 HD1 TYR 19 12.780 -2.268 -3.540 138 HE1 TYR 19 HE2 TYR 19 9.003 0.916 -3.375 139 HE2 TYR 19 HE1 TYR 19 10.751 -2.689 -4.885 140 HH TYR 19 HH TYR 19 8.011 -0.374 -4.911 141 H CYS 20 H CYS 20 16.741 -0.057 -2.324 142 HA CYS 20 HA CYS 20 17.423 1.674 0.040 143 HB2 CYS 20 1HB CYS 20 18.596 -0.984 -0.961 144 HB3 CYS 20 2HB CYS 20 19.347 0.009 0.303 145 H ASN 21 H ASN 21 20.341 1.494 -0.439 146 HA ASN 21 HA ASN 21 20.521 3.015 -2.865 147 HB2 ASN 21 1HB ASN 21 21.818 3.414 -0.712 148 HB3 ASN 21 2HB ASN 21 22.962 2.246 -1.290 149 HD21 ASN 21 2HD2 ASN 21 23.348 5.262 -0.960 150 HD22 ASN 21 1HD2 ASN 21 23.772 5.751 -2.530 151 HXT ASN 21 H02 ASN 21 19.564 1.138 -3.770 152 H1 PHE 31 2H0 PHE 31 21.004 -16.354 -3.080 153 H2 PHE 31 1H0 PHE 31 21.090 -15.277 -4.279 154 HA PHE 31 HA PHE 31 19.443 -14.844 -1.894 155 HB2 PHE 31 1HB PHE 31 20.230 -12.968 -3.367 156 HB3 PHE 31 2HB PHE 31 19.284 -13.622 -4.635 157 HD1 PHE 31 HD1 PHE 31 18.937 -12.366 -1.113 158 HD2 PHE 31 HD2 PHE 31 17.058 -12.958 -4.952 159 HE1 PHE 31 HE1 PHE 31 16.931 -11.196 -0.336 160 HE2 PHE 31 HE2 PHE 31 14.981 -11.767 -4.119 161 HZ PHE 31 HZ PHE 31 14.888 -10.964 -1.751 162 H VAL 32 H VAL 32 17.203 -15.069 -1.926 163 HA VAL 32 HA VAL 32 16.242 -16.958 -4.014 164 HB VAL 32 HB VAL 32 16.461 -18.301 -2.102 165 HG11 VAL 32 1HG1 VAL 32 15.384 -17.650 0.135 166 HG12 VAL 32 2HG1 VAL 32 16.816 -16.743 -0.309 167 HG13 VAL 32 3HG1 VAL 32 15.188 -16.017 -0.488 168 HG21 VAL 32 3HG2 VAL 32 14.300 -18.482 -3.337 169 HG22 VAL 32 1HG2 VAL 32 14.165 -18.975 -1.593 170 HG23 VAL 32 2HG2 VAL 32 13.536 -17.386 -2.146 171 H ASN 33 H ASN 33 14.808 -16.034 -5.244 172 HA ASN 33 HA ASN 33 13.413 -13.549 -4.433 173 HB2 ASN 33 1HB ASN 33 13.716 -15.092 -7.062 174 HB3 ASN 33 2HB ASN 33 12.515 -13.810 -6.859 175 HD21 ASN 33 2HD2 ASN 33 15.826 -14.490 -7.507 176 HD22 ASN 33 1HD2 ASN 33 16.375 -12.871 -7.621 177 H GLN 34 H GLN 34 11.313 -13.615 -3.621 178 HA GLN 34 HA GLN 34 9.421 -15.814 -4.316 179 HB2 GLN 34 1HB GLN 34 9.200 -16.490 -1.947 180 HB3 GLN 34 2HB GLN 34 10.784 -16.989 -2.597 181 HG2 GLN 34 1HG GLN 34 11.916 -15.240 -1.440 182 HG3 GLN 34 2HG GLN 34 10.391 -14.471 -0.957 183 HE21 GLN 34 2HE2 GLN 34 9.233 -15.266 0.762 184 HE22 GLN 34 1HE2 GLN 34 9.814 -16.609 1.792 185 H HIS 35 H HIS 35 7.378 -15.410 -3.005 186 HA HIS 35 HA HIS 35 6.648 -12.576 -2.940 187 HB2 HIS 35 1HB HIS 35 5.324 -15.050 -1.739 188 HB3 HIS 35 2HB HIS 35 4.603 -13.412 -1.752 189 HD1 HIS 35 HD1 HIS 35 4.232 -12.378 -4.205 190 HD2 HIS 35 HD2 HIS 35 4.699 -16.531 -3.968 191 HE1 HIS 35 HE1 HIS 35 3.295 -13.312 -6.403 192 HE2 HIS 35 HE2 HIS 35 3.540 -15.835 -6.238 193 H LEU 36 H LEU 36 6.454 -11.214 -1.110 194 HA LEU 36 HA LEU 36 7.589 -12.229 1.456 195 HB2 LEU 36 1HB LEU 36 8.468 -9.771 -0.100 196 HB3 LEU 36 2HB LEU 36 8.815 -10.040 1.616 197 HG LEU 36 HG LEU 36 9.741 -11.940 -0.510 198 HD11 LEU 36 1HD1 LEU 36 10.703 -9.570 -0.772 199 HD12 LEU 36 2HD1 LEU 36 11.886 -10.835 -0.527 200 HD13 LEU 36 3HD1 LEU 36 11.423 -9.764 0.820 201 HD21 LEU 36 3HD2 LEU 36 10.537 -11.404 2.365 202 HD22 LEU 36 1HD2 LEU 36 11.253 -12.617 1.263 203 HD23 LEU 36 2HD2 LEU 36 9.543 -12.769 1.788 204 H CYS 37 H CYS 37 6.252 -11.779 3.046 205 HA CYS 37 HA CYS 37 4.752 -9.264 3.095 206 HB2 CYS 37 1HB CYS 37 3.532 -11.002 1.633 207 HB3 CYS 37 2HB CYS 37 3.144 -11.862 3.138 208 H GLY 38 H GLY 38 3.432 -9.236 5.230 209 HA2 GLY 38 1HA GLY 38 3.443 -9.517 7.558 210 HA3 GLY 38 2HA GLY 38 3.648 -11.210 7.166 211 H SER 39 H SER 39 5.581 -8.206 7.840 212 HA SER 39 HA SER 39 7.690 -7.996 8.735 213 HB2 SER 39 1HB SER 39 7.308 -10.733 9.940 214 HB3 SER 39 2HB SER 39 8.389 -9.442 10.521 215 HG SER 39 HG SER 39 6.344 -9.555 11.643 216 H HIS 40 H HIS 40 7.477 -11.168 7.016 217 HA HIS 40 HA HIS 40 10.265 -11.497 6.859 218 HB2 HIS 40 1HB HIS 40 7.904 -12.573 5.451 219 HB3 HIS 40 2HB HIS 40 9.414 -12.584 4.508 220 HD1 HIS 40 HD1 HIS 40 11.346 -14.164 5.194 221 HD2 HIS 40 HD2 HIS 40 7.966 -14.386 7.704 222 HE1 HIS 40 HE1 HIS 40 11.697 -16.081 6.787 223 HE2 HIS 40 HE2 HIS 40 9.662 -16.279 8.254 224 H LEU 41 H LEU 41 8.157 -9.402 4.943 225 HA LEU 41 HA LEU 41 10.103 -8.964 2.913 226 HB2 LEU 41 1HB LEU 41 7.741 -8.216 2.786 227 HB3 LEU 41 2HB LEU 41 8.002 -7.097 4.102 228 HG LEU 41 HG LEU 41 9.563 -5.812 2.685 229 HD11 LEU 41 1HD1 LEU 41 8.729 -7.731 0.517 230 HD12 LEU 41 2HD1 LEU 41 10.379 -7.479 1.128 231 HD13 LEU 41 3HD1 LEU 41 9.538 -6.195 0.256 232 HD21 LEU 41 3HD2 LEU 41 6.941 -6.253 1.273 233 HD22 LEU 41 1HD2 LEU 41 7.818 -4.746 1.553 234 HD23 LEU 41 2HD2 LEU 41 7.023 -5.527 2.909 235 H VAL 42 H VAL 42 9.564 -7.359 6.072 236 HA VAL 42 HA VAL 42 11.410 -5.231 5.472 237 HB VAL 42 HB VAL 42 10.432 -6.281 8.229 238 HG11 VAL 42 1HG1 VAL 42 10.950 -3.885 8.918 239 HG12 VAL 42 2HG1 VAL 42 12.350 -4.908 8.515 240 HG13 VAL 42 3HG1 VAL 42 11.742 -3.696 7.323 241 HG21 VAL 42 3HG2 VAL 42 8.501 -5.666 6.752 242 HG22 VAL 42 1HG2 VAL 42 8.670 -4.576 8.125 243 HG23 VAL 42 2HG2 VAL 42 9.207 -4.046 6.520 244 H GLU 43 H GLU 43 11.498 -8.373 7.124 245 HA GLU 43 HA GLU 43 14.166 -8.061 8.181 246 HB2 GLU 43 1HB GLU 43 12.367 -9.803 8.853 247 HB3 GLU 43 2HB GLU 43 12.840 -10.662 7.435 248 HG2 GLU 43 1HG GLU 43 13.966 -11.595 9.352 249 HG3 GLU 43 2HG GLU 43 15.131 -10.875 8.207 250 HE2 GLU 43 HE2 GLU 43 16.541 -9.187 10.701 251 H ALA 44 H ALA 44 12.946 -9.503 5.127 252 HA ALA 44 HA ALA 44 15.477 -10.444 4.219 253 HB1 ALA 44 3HB ALA 44 14.335 -10.272 1.966 254 HB2 ALA 44 1HB ALA 44 13.519 -11.302 3.166 255 HB3 ALA 44 2HB ALA 44 12.906 -9.653 2.823 256 H LEU 45 H LEU 45 13.770 -7.312 3.880 257 HA LEU 45 HA LEU 45 15.641 -6.102 2.124 258 HB2 LEU 45 1HB LEU 45 13.210 -5.420 2.631 259 HB3 LEU 45 2HB LEU 45 13.807 -4.713 4.115 260 HG LEU 45 HG LEU 45 15.374 -3.297 2.642 261 HD11 LEU 45 1HD1 LEU 45 14.757 -2.820 0.366 262 HD12 LEU 45 2HD1 LEU 45 13.319 -3.863 0.457 263 HD13 LEU 45 3HD1 LEU 45 14.924 -4.591 0.454 264 HD21 LEU 45 3HD2 LEU 45 13.505 -1.597 2.248 265 HD22 LEU 45 1HD2 LEU 45 13.365 -2.366 3.859 266 HD23 LEU 45 2HD2 LEU 45 12.287 -2.904 2.518 267 H TYR 46 H TYR 46 15.459 -6.380 5.696 268 HA TYR 46 HA TYR 46 17.494 -4.413 6.239 269 HB2 TYR 46 1HB TYR 46 15.792 -5.265 7.905 270 HB3 TYR 46 2HB TYR 46 16.525 -6.865 7.837 271 HD1 TYR 46 HD2 TYR 46 17.018 -3.409 9.091 272 HD2 TYR 46 HD1 TYR 46 18.595 -7.396 8.958 273 HE1 TYR 46 HE2 TYR 46 18.653 -2.820 10.841 274 HE2 TYR 46 HE1 TYR 46 20.373 -6.728 10.592 275 HH TYR 46 HH TYR 46 20.660 -3.475 11.959 276 H LEU 47 H LEU 47 17.459 -7.968 5.828 277 HA LEU 47 HA LEU 47 20.249 -8.319 6.455 278 HB2 LEU 47 1HB LEU 47 18.172 -9.949 4.840 279 HB3 LEU 47 2HB LEU 47 19.809 -10.548 5.161 280 HG LEU 47 HG LEU 47 17.808 -9.744 7.295 281 HD11 LEU 47 1HD1 LEU 47 17.091 -11.702 5.825 282 HD12 LEU 47 2HD1 LEU 47 17.296 -12.107 7.504 283 HD13 LEU 47 3HD1 LEU 47 18.540 -12.548 6.363 284 HD21 LEU 47 3HD2 LEU 47 19.241 -11.117 8.791 285 HD22 LEU 47 1HD2 LEU 47 20.029 -9.669 8.218 286 HD23 LEU 47 2HD2 LEU 47 20.435 -11.244 7.477 287 H VAL 48 H VAL 48 18.559 -7.849 3.300 288 HA VAL 48 HA VAL 48 21.074 -8.219 1.821 289 HB VAL 48 HB VAL 48 18.832 -8.759 0.869 290 HG11 VAL 48 1HG1 VAL 48 18.543 -5.764 0.467 291 HG12 VAL 48 2HG1 VAL 48 17.466 -7.031 -0.191 292 HG13 VAL 48 3HG1 VAL 48 17.617 -6.766 1.576 293 HG21 VAL 48 3HG2 VAL 48 20.207 -6.867 -1.008 294 HG22 VAL 48 1HG2 VAL 48 20.995 -8.356 -0.430 295 HG23 VAL 48 2HG2 VAL 48 19.465 -8.431 -1.329 296 H CYS 49 H CYS 49 19.367 -5.407 3.181 297 HA CYS 49 HA CYS 49 21.069 -3.662 1.541 298 HB2 CYS 49 1HB CYS 49 18.891 -2.990 3.576 299 HB3 CYS 49 2HB CYS 49 19.863 -1.790 2.704 300 H GLY 50 H GLY 50 21.028 -4.926 4.899 301 HA2 GLY 50 1HA GLY 50 22.715 -4.776 6.477 302 HA3 GLY 50 2HA GLY 50 23.721 -3.901 5.286 303 H GLU 51 H GLU 51 20.615 -2.883 6.274 304 HA GLU 51 HA GLU 51 21.507 -0.250 6.799 305 HB2 GLU 51 1HB GLU 51 19.070 -1.647 6.255 306 HB3 GLU 51 2HB GLU 51 18.832 -0.698 7.713 307 HG2 GLU 51 1HG GLU 51 19.963 0.481 5.151 308 HG3 GLU 51 2HG GLU 51 18.223 0.331 5.411 309 HE2 GLU 51 HE2 GLU 51 18.926 2.536 5.073 310 H GLN 52 H GLN 52 20.792 0.934 8.788 311 HA GLN 52 HA GLN 52 21.844 -0.442 11.189 312 HB2 GLN 52 1HB GLN 52 20.465 2.254 10.779 313 HB3 GLN 52 2HB GLN 52 21.167 1.685 12.294 314 HG2 GLN 52 1HG GLN 52 23.414 1.636 11.214 315 HG3 GLN 52 2HG GLN 52 22.699 2.338 9.735 316 HE21 GLN 52 2HE2 GLN 52 23.184 4.444 9.638 317 HE22 GLN 52 1HE2 GLN 52 23.176 5.557 10.983 318 H GLY 53 H GLY 53 18.803 0.592 9.658 319 HA2 GLY 53 1HA GLY 53 17.050 -1.277 10.455 320 HA3 GLY 53 2HA GLY 53 17.187 -0.226 11.937 321 H PHE 54 H PHE 54 14.881 -0.675 10.057 322 HA PHE 54 HA PHE 54 14.760 1.909 8.637 323 HB2 PHE 54 1HB PHE 54 12.654 -0.300 8.787 324 HB3 PHE 54 2HB PHE 54 12.694 1.073 7.706 325 HD1 PHE 54 HD2 PHE 54 14.777 1.159 6.074 326 HD2 PHE 54 HD1 PHE 54 13.543 -2.341 8.220 327 HE1 PHE 54 HE2 PHE 54 16.096 -0.215 4.539 328 HE2 PHE 54 HE1 PHE 54 14.814 -3.817 6.634 329 HZ PHE 54 HZ PHE 54 16.178 -2.762 4.789 330 H PHE 55 H PHE 55 12.966 0.146 11.261 331 HA PHE 55 HA PHE 55 12.127 2.772 12.285 332 HB2 PHE 55 1HB PHE 55 10.384 2.165 10.734 333 HB3 PHE 55 2HB PHE 55 10.282 0.562 11.426 334 HD1 PHE 55 HD2 PHE 55 9.716 4.273 12.023 335 HD2 PHE 55 HD1 PHE 55 8.866 0.279 13.462 336 HE1 PHE 55 HE2 PHE 55 8.021 5.169 13.602 337 HE2 PHE 55 HE1 PHE 55 7.175 1.163 14.998 338 HZ PHE 55 HZ PHE 55 6.680 3.600 15.029 339 H TYR 56 H TYR 56 12.989 2.702 14.179 340 HA TYR 56 HA TYR 56 13.401 2.152 16.318 341 HB2 TYR 56 1HB TYR 56 10.979 2.149 16.358 342 HB3 TYR 56 2HB TYR 56 10.913 0.407 16.128 343 HD1 TYR 56 HD1 TYR 56 12.236 3.140 18.338 344 HD2 TYR 56 HD2 TYR 56 11.251 -1.030 18.049 345 HE1 TYR 56 HE1 TYR 56 12.581 2.881 20.746 346 HE2 TYR 56 HE2 TYR 56 11.539 -1.247 20.534 347 HH TYR 56 HH TYR 56 12.017 -0.089 22.544 348 H THR 57 H THR 57 14.687 0.892 17.608 349 HA THR 57 HA THR 57 15.210 -1.875 16.594 350 HB THR 57 HB THR 57 17.427 -1.495 17.932 351 HG1 THR 57 HG1 THR 57 18.098 0.639 17.783 352 HG21 THR 57 1HG2 THR 57 16.924 -0.352 15.145 353 HG22 THR 57 2HG2 THR 57 17.185 -2.079 15.485 354 HG23 THR 57 3HG2 THR 57 18.498 -0.915 15.798 355 HA PRO 58 HA PRO 58 13.512 -2.436 20.713 356 HB2 PRO 58 1HB PRO 58 12.632 -5.044 20.341 357 HB3 PRO 58 2HB PRO 58 11.715 -3.578 19.835 358 HG2 PRO 58 1HG PRO 58 13.518 -5.349 18.182 359 HG3 PRO 58 2HG PRO 58 11.889 -4.728 17.838 360 HD2 PRO 58 1HD PRO 58 14.155 -3.626 16.841 361 HD3 PRO 58 2HD PRO 58 12.757 -2.615 17.260 362 H LYS 59 H LYS 59 14.221 -3.502 22.519 363 HA LYS 59 HA LYS 59 16.835 -4.792 22.355 364 HB2 LYS 59 1HB LYS 59 15.881 -3.348 24.204 365 HB3 LYS 59 2HB LYS 59 14.980 -4.779 24.727 366 HG2 LYS 59 1HG LYS 59 17.223 -5.952 25.013 367 HG3 LYS 59 2HG LYS 59 18.032 -4.459 24.552 368 HD2 LYS 59 1HD LYS 59 16.173 -4.764 26.929 369 HD3 LYS 59 2HD LYS 59 17.938 -4.945 26.948 370 HE2 LYS 59 1HE LYS 59 18.049 -2.509 26.163 371 HE3 LYS 59 2HE LYS 59 16.306 -2.453 26.212 372 HZ1 LYS 59 3HZ LYS 59 16.579 -1.701 28.242 373 HZ2 LYS 59 1HZ LYS 59 18.134 -2.440 28.434 374 HZ3 LYS 59 2HZ LYS 59 16.686 -3.318 28.669 375 H THR 60 H THR 60 13.556 -5.940 22.678 376 HA THR 60 HA THR 60 14.007 -8.724 23.417 377 HB THR 60 HB THR 60 11.516 -8.874 22.740 378 HG1 THR 60 HG1 THR 60 10.584 -7.006 21.944 379 HG21 THR 60 1HG2 THR 60 12.400 -6.680 24.692 380 HG22 THR 60 2HG2 THR 60 12.097 -8.380 25.071 381 HG23 THR 60 3HG2 THR 60 10.764 -7.340 24.657 382 HXT THR 60 H02 THR 60 12.758 -7.229 20.719 Start of MODEL 16 1 H1 GLY 1 2H0 GLY 1 2.372 2.138 0.083 2 H2 GLY 1 1H0 GLY 1 1.904 0.713 0.627 3 HA2 GLY 1 1HA GLY 1 1.731 0.572 -1.659 4 HA3 GLY 1 2HA GLY 1 3.221 1.534 -1.882 5 H ILE 2 H ILE 2 5.005 0.352 -0.493 6 HA ILE 2 HA ILE 2 5.986 -1.715 -2.136 7 HB ILE 2 HB ILE 2 7.648 -0.414 -0.956 8 HG12 ILE 2 1HG1 ILE 2 7.615 -3.181 0.335 9 HG13 ILE 2 2HG1 ILE 2 8.327 -2.826 -1.241 10 HG21 ILE 2 1HG2 ILE 2 6.642 -1.454 1.742 11 HG22 ILE 2 2HG2 ILE 2 7.845 -0.115 1.425 12 HG23 ILE 2 3HG2 ILE 2 6.123 0.154 1.042 13 HD11 ILE 2 3HD1 ILE 2 9.962 -1.261 0.085 14 HD12 ILE 2 1HD1 ILE 2 9.299 -1.967 1.584 15 HD13 ILE 2 2HD1 ILE 2 10.166 -3.016 0.433 16 H VAL 3 H VAL 3 4.462 -1.982 1.106 17 HA VAL 3 HA VAL 3 4.809 -4.776 1.312 18 HB VAL 3 HB VAL 3 4.330 -3.608 3.311 19 HG11 VAL 3 1HG1 VAL 3 2.266 -2.283 3.722 20 HG12 VAL 3 2HG1 VAL 3 3.317 -1.569 2.482 21 HG13 VAL 3 3HG1 VAL 3 1.815 -2.443 1.986 22 HG21 VAL 3 3HG2 VAL 3 1.684 -5.026 2.661 23 HG22 VAL 3 1HG2 VAL 3 3.200 -5.882 3.171 24 HG23 VAL 3 2HG2 VAL 3 2.410 -4.728 4.295 25 H GLU 4 H GLU 4 1.956 -2.952 -0.003 26 HA GLU 4 HA GLU 4 0.554 -5.424 -0.473 27 HB2 GLU 4 1HB GLU 4 -1.072 -4.150 -1.714 28 HB3 GLU 4 2HB GLU 4 -0.761 -3.356 -0.176 29 HG2 GLU 4 1HG GLU 4 0.738 -1.696 -1.377 30 HG3 GLU 4 2HG GLU 4 0.377 -2.465 -2.912 31 HE2 GLU 4 HE2 GLU 4 -1.675 0.312 -2.633 32 H GLN 5 H GLN 5 2.782 -3.483 -2.323 33 HA GLN 5 HA GLN 5 2.375 -4.796 -4.852 34 HB2 GLN 5 1HB GLN 5 4.773 -3.450 -3.594 35 HB3 GLN 5 2HB GLN 5 4.794 -4.173 -5.224 36 HG2 GLN 5 1HG GLN 5 3.189 -2.606 -5.997 37 HG3 GLN 5 2HG GLN 5 2.805 -2.030 -4.373 38 HE21 GLN 5 2HE2 GLN 5 3.402 0.030 -4.467 39 HE22 GLN 5 1HE2 GLN 5 4.998 0.647 -4.842 40 H CYS 6 H CYS 6 4.804 -5.445 -2.223 41 HA CYS 6 HA CYS 6 5.684 -7.789 -3.754 42 HB2 CYS 6 1HB CYS 6 6.250 -7.068 -0.851 43 HB3 CYS 6 2HB CYS 6 7.082 -8.350 -1.773 44 H CYS 7 H CYS 7 3.149 -7.236 -1.446 45 HA CYS 7 HA CYS 7 2.824 -9.945 -0.661 46 HB2 CYS 7 1HB CYS 7 1.782 -7.840 0.297 47 HB3 CYS 7 2HB CYS 7 0.532 -8.052 -0.948 48 H THR 8 H THR 8 2.267 -8.438 -3.702 49 HA THR 8 HA THR 8 0.571 -10.745 -4.667 50 HB THR 8 HB THR 8 -0.385 -9.023 -6.257 51 HG1 THR 8 HG1 THR 8 0.616 -7.073 -4.431 52 HG21 THR 8 1HG2 THR 8 -0.789 -8.439 -3.315 53 HG22 THR 8 2HG2 THR 8 -1.672 -9.646 -4.283 54 HG23 THR 8 3HG2 THR 8 -1.835 -7.914 -4.665 55 H SER 9 H SER 9 3.590 -9.624 -4.772 56 HA SER 9 HA SER 9 4.005 -10.651 -7.529 57 HB2 SER 9 1HB SER 9 4.114 -8.120 -7.541 58 HB3 SER 9 2HB SER 9 5.586 -8.285 -6.531 59 HG SER 9 HG SER 9 5.312 -8.548 -9.175 60 H ILE 10 H ILE 10 6.711 -10.609 -7.766 61 HA ILE 10 HA ILE 10 7.556 -12.620 -5.768 62 HB ILE 10 HB ILE 10 9.056 -11.437 -8.204 63 HG12 ILE 10 1HG1 ILE 10 7.060 -12.503 -8.973 64 HG13 ILE 10 2HG1 ILE 10 8.459 -13.452 -9.409 65 HG21 ILE 10 1HG2 ILE 10 9.790 -13.859 -6.492 66 HG22 ILE 10 2HG2 ILE 10 10.547 -13.418 -8.017 67 HG23 ILE 10 3HG2 ILE 10 10.693 -12.333 -6.659 68 HD11 ILE 10 3HD1 ILE 10 7.957 -15.148 -7.649 69 HD12 ILE 10 1HD1 ILE 10 6.605 -14.172 -7.065 70 HD13 ILE 10 2HD1 ILE 10 6.526 -14.940 -8.648 71 H CYS 11 H CYS 11 8.514 -9.375 -6.851 72 HA CYS 11 HA CYS 11 10.115 -7.942 -6.251 73 HB2 CYS 11 1HB CYS 11 9.205 -8.767 -3.498 74 HB3 CYS 11 2HB CYS 11 10.367 -7.473 -3.785 75 H SER 12 H SER 12 11.524 -9.589 -7.304 76 HA SER 12 HA SER 12 13.362 -11.123 -5.675 77 HB2 SER 12 1HB SER 12 13.607 -9.970 -8.414 78 HB3 SER 12 2HB SER 12 14.795 -11.122 -7.662 79 HG SER 12 HG SER 12 13.279 -12.641 -7.818 80 H LEU 13 H LEU 13 15.715 -10.573 -5.668 81 HA LEU 13 HA LEU 13 16.410 -8.504 -4.165 82 HB2 LEU 13 1HB LEU 13 17.673 -10.494 -4.949 83 HB3 LEU 13 2HB LEU 13 18.161 -9.551 -6.351 84 HG LEU 13 HG LEU 13 19.196 -7.854 -4.878 85 HD11 LEU 13 1HD1 LEU 13 18.251 -7.931 -2.776 86 HD12 LEU 13 2HD1 LEU 13 19.675 -8.890 -2.503 87 HD13 LEU 13 3HD1 LEU 13 18.150 -9.689 -2.750 88 HD21 LEU 13 3HD2 LEU 13 20.052 -10.767 -4.882 89 HD22 LEU 13 1HD2 LEU 13 21.082 -9.518 -4.086 90 HD23 LEU 13 2HD2 LEU 13 20.675 -9.395 -5.829 91 H TYR 14 H TYR 14 16.420 -8.331 -7.766 92 HA TYR 14 HA TYR 14 17.701 -5.811 -8.011 93 HB2 TYR 14 1HB TYR 14 17.441 -7.372 -9.771 94 HB3 TYR 14 2HB TYR 14 15.699 -7.257 -9.758 95 HD1 TYR 14 HD1 TYR 14 18.775 -5.205 -10.509 96 HD2 TYR 14 HD2 TYR 14 14.511 -5.566 -10.895 97 HE1 TYR 14 HE1 TYR 14 18.776 -3.384 -12.172 98 HE2 TYR 14 HE2 TYR 14 14.493 -3.575 -12.430 99 HH TYR 14 HH TYR 14 17.506 -1.934 -13.406 100 H GLN 15 H GLN 15 14.298 -6.663 -7.544 101 HA GLN 15 HA GLN 15 13.441 -3.800 -7.753 102 HB2 GLN 15 1HB GLN 15 11.928 -5.603 -8.456 103 HB3 GLN 15 2HB GLN 15 11.872 -6.301 -6.822 104 HG2 GLN 15 1HG GLN 15 10.706 -4.383 -5.949 105 HG3 GLN 15 2HG GLN 15 11.043 -3.457 -7.411 106 HE21 GLN 15 2HE2 GLN 15 9.257 -3.252 -8.688 107 HE22 GLN 15 1HE2 GLN 15 8.082 -4.525 -8.870 108 H LEU 16 H LEU 16 14.095 -6.228 -5.242 109 HA LEU 16 HA LEU 16 13.143 -4.767 -3.031 110 HB2 LEU 16 1HB LEU 16 13.785 -7.151 -3.083 111 HB3 LEU 16 2HB LEU 16 15.486 -6.667 -3.111 112 HG LEU 16 HG LEU 16 15.071 -5.622 -0.821 113 HD11 LEU 16 1HD1 LEU 16 12.391 -7.046 -1.089 114 HD12 LEU 16 2HD1 LEU 16 12.649 -5.316 -0.939 115 HD13 LEU 16 3HD1 LEU 16 13.063 -6.361 0.397 116 HD21 LEU 16 3HD2 LEU 16 16.094 -7.806 -1.075 117 HD22 LEU 16 1HD2 LEU 16 14.486 -8.574 -1.116 118 HD23 LEU 16 2HD2 LEU 16 15.065 -7.738 0.332 119 H GLU 17 H GLU 17 16.258 -4.717 -4.687 120 HA GLU 17 HA GLU 17 17.562 -2.994 -2.841 121 HB2 GLU 17 1HB GLU 17 17.974 -3.720 -5.728 122 HB3 GLU 17 2HB GLU 17 18.981 -2.483 -4.929 123 HG2 GLU 17 1HG GLU 17 18.678 -5.042 -3.507 124 HG3 GLU 17 2HG GLU 17 19.611 -5.050 -5.002 125 HE2 GLU 17 HE2 GLU 17 20.985 -2.851 -2.000 126 H ASN 18 H ASN 18 15.064 -2.347 -5.266 127 HA ASN 18 HA ASN 18 15.959 0.367 -5.784 128 HB2 ASN 18 1HB ASN 18 14.442 -1.206 -7.189 129 HB3 ASN 18 2HB ASN 18 13.121 -0.631 -6.161 130 HD21 ASN 18 2HD2 ASN 18 14.281 -0.241 -9.076 131 HD22 ASN 18 1HD2 ASN 18 13.910 1.478 -9.287 132 H TYR 19 H TYR 19 14.200 -1.318 -3.242 133 HA TYR 19 HA TYR 19 12.958 1.118 -2.130 134 HB2 TYR 19 1HB TYR 19 13.373 -1.672 -1.036 135 HB3 TYR 19 2HB TYR 19 12.332 -0.414 -0.301 136 HD1 TYR 19 HD2 TYR 19 10.639 0.654 -2.231 137 HD2 TYR 19 HD1 TYR 19 12.226 -3.303 -2.228 138 HE1 TYR 19 HE2 TYR 19 8.657 -0.120 -3.686 139 HE2 TYR 19 HE1 TYR 19 10.329 -4.079 -3.642 140 HH TYR 19 HH TYR 19 7.745 -1.954 -4.796 141 H CYS 20 H CYS 20 16.077 -0.127 -2.114 142 HA CYS 20 HA CYS 20 16.695 0.927 0.580 143 HB2 CYS 20 1HB CYS 20 17.571 -1.294 -0.129 144 HB3 CYS 20 2HB CYS 20 18.492 -0.551 -1.421 145 H ASN 21 H ASN 21 15.725 2.875 -0.886 146 HA ASN 21 HA ASN 21 17.990 4.467 -1.916 147 HB2 ASN 21 1HB ASN 21 16.531 3.860 -3.815 148 HB3 ASN 21 2HB ASN 21 15.130 4.485 -2.933 149 HD21 ASN 21 2HD2 ASN 21 14.594 6.489 -3.385 150 HD22 ASN 21 1HD2 ASN 21 15.653 7.704 -3.964 151 HXT ASN 21 H02 ASN 21 15.437 5.930 0.551 152 H1 PHE 31 2H0 PHE 31 20.217 -16.411 -4.162 153 H2 PHE 31 1H0 PHE 31 19.918 -15.337 -5.313 154 HA PHE 31 HA PHE 31 18.969 -14.929 -2.569 155 HB2 PHE 31 1HB PHE 31 19.449 -12.970 -4.057 156 HB3 PHE 31 2HB PHE 31 18.358 -13.641 -5.248 157 HD1 PHE 31 HD2 PHE 31 18.567 -12.062 -1.829 158 HD2 PHE 31 HD1 PHE 31 15.934 -13.399 -4.979 159 HE1 PHE 31 HE2 PHE 31 16.727 -11.030 -0.681 160 HE2 PHE 31 HE1 PHE 31 14.046 -12.175 -3.811 161 HZ PHE 31 HZ PHE 31 14.448 -11.116 -1.709 162 H VAL 32 H VAL 32 17.049 -15.540 -2.024 163 HA VAL 32 HA VAL 32 15.875 -17.732 -3.594 164 HB VAL 32 HB VAL 32 15.372 -16.659 -0.769 165 HG11 VAL 32 1HG1 VAL 32 14.190 -18.924 -0.470 166 HG12 VAL 32 2HG1 VAL 32 13.340 -17.730 -1.408 167 HG13 VAL 32 3HG1 VAL 32 14.155 -19.042 -2.224 168 HG21 VAL 32 3HG2 VAL 32 17.650 -17.765 -1.075 169 HG22 VAL 32 1HG2 VAL 32 16.600 -18.806 -0.051 170 HG23 VAL 32 2HG2 VAL 32 16.836 -19.202 -1.776 171 H ASN 33 H ASN 33 14.305 -17.209 -5.040 172 HA ASN 33 HA ASN 33 12.997 -14.594 -4.779 173 HB2 ASN 33 1HB ASN 33 12.809 -16.933 -6.726 174 HB3 ASN 33 2HB ASN 33 11.770 -15.486 -6.902 175 HD21 ASN 33 2HD2 ASN 33 13.827 -16.678 -8.707 176 HD22 ASN 33 1HD2 ASN 33 14.865 -15.298 -9.034 177 H GLN 34 H GLN 34 11.325 -14.499 -3.171 178 HA GLN 34 HA GLN 34 9.227 -16.684 -3.177 179 HB2 GLN 34 1HB GLN 34 11.096 -16.861 -1.335 180 HB3 GLN 34 2HB GLN 34 10.501 -15.337 -0.711 181 HG2 GLN 34 1HG GLN 34 8.331 -16.294 -0.155 182 HG3 GLN 34 2HG GLN 34 8.774 -17.825 -0.959 183 HE21 GLN 34 2HE2 GLN 34 10.021 -19.333 0.179 184 HE22 GLN 34 1HE2 GLN 34 10.593 -19.114 1.859 185 H HIS 35 H HIS 35 7.177 -15.894 -2.548 186 HA HIS 35 HA HIS 35 6.703 -13.011 -2.814 187 HB2 HIS 35 1HB HIS 35 4.997 -15.274 -1.661 188 HB3 HIS 35 2HB HIS 35 4.451 -13.621 -1.944 189 HD1 HIS 35 HD1 HIS 35 4.859 -12.915 -4.705 190 HD2 HIS 35 HD2 HIS 35 4.373 -17.002 -3.667 191 HE1 HIS 35 HE1 HIS 35 4.114 -14.144 -6.807 192 HE2 HIS 35 HE2 HIS 35 3.883 -16.606 -6.225 193 H LEU 36 H LEU 36 6.451 -11.453 -1.285 194 HA LEU 36 HA LEU 36 6.904 -12.295 1.564 195 HB2 LEU 36 1HB LEU 36 8.302 -10.029 0.150 196 HB3 LEU 36 2HB LEU 36 8.438 -10.375 1.888 197 HG LEU 36 HG LEU 36 9.358 -12.241 -0.295 198 HD11 LEU 36 1HD1 LEU 36 11.589 -11.380 -0.176 199 HD12 LEU 36 2HD1 LEU 36 11.225 -10.343 1.223 200 HD13 LEU 36 3HD1 LEU 36 10.568 -9.964 -0.358 201 HD21 LEU 36 3HD2 LEU 36 8.983 -13.183 2.034 202 HD22 LEU 36 1HD2 LEU 36 10.358 -12.130 2.574 203 HD23 LEU 36 2HD2 LEU 36 10.577 -13.387 1.329 204 H CYS 37 H CYS 37 5.551 -11.324 3.019 205 HA CYS 37 HA CYS 37 4.067 -8.876 2.026 206 HB2 CYS 37 1HB CYS 37 2.897 -10.915 1.340 207 HB3 CYS 37 2HB CYS 37 2.755 -11.429 3.034 208 H GLY 38 H GLY 38 4.561 -11.205 4.693 209 HA2 GLY 38 1HA GLY 38 3.682 -9.286 6.746 210 HA3 GLY 38 2HA GLY 38 4.349 -10.890 6.925 211 H SER 39 H SER 39 5.641 -9.770 8.759 212 HA SER 39 HA SER 39 7.516 -7.743 8.115 213 HB2 SER 39 1HB SER 39 7.913 -10.019 10.194 214 HB3 SER 39 2HB SER 39 8.801 -8.471 10.171 215 HG SER 39 HG SER 39 7.306 -7.925 11.531 216 H HIS 40 H HIS 40 7.448 -10.950 6.964 217 HA HIS 40 HA HIS 40 10.164 -11.663 6.787 218 HB2 HIS 40 1HB HIS 40 7.890 -12.098 4.892 219 HB3 HIS 40 2HB HIS 40 9.391 -12.935 4.750 220 HD1 HIS 40 HD1 HIS 40 7.101 -14.753 4.967 221 HD2 HIS 40 HD2 HIS 40 8.910 -13.175 8.424 222 HE1 HIS 40 HE1 HIS 40 6.489 -16.287 6.929 223 HE2 HIS 40 HE2 HIS 40 7.628 -15.320 8.947 224 H LEU 41 H LEU 41 8.276 -9.415 4.881 225 HA LEU 41 HA LEU 41 10.133 -9.064 2.718 226 HB2 LEU 41 1HB LEU 41 7.744 -8.463 2.638 227 HB3 LEU 41 2HB LEU 41 7.994 -7.281 3.928 228 HG LEU 41 HG LEU 41 9.389 -5.937 2.447 229 HD11 LEU 41 1HD1 LEU 41 9.262 -6.424 -0.050 230 HD12 LEU 41 2HD1 LEU 41 8.732 -8.028 0.381 231 HD13 LEU 41 3HD1 LEU 41 10.325 -7.497 0.873 232 HD21 LEU 41 3HD2 LEU 41 7.471 -5.239 0.960 233 HD22 LEU 41 1HD2 LEU 41 6.964 -5.524 2.628 234 HD23 LEU 41 2HD2 LEU 41 6.635 -6.762 1.390 235 H VAL 42 H VAL 42 9.504 -6.925 5.595 236 HA VAL 42 HA VAL 42 11.776 -5.196 5.003 237 HB VAL 42 HB VAL 42 11.467 -4.227 7.235 238 HG11 VAL 42 1HG1 VAL 42 9.435 -3.245 6.787 239 HG12 VAL 42 2HG1 VAL 42 9.626 -4.128 5.251 240 HG13 VAL 42 3HG1 VAL 42 8.611 -4.812 6.540 241 HG21 VAL 42 3HG2 VAL 42 9.951 -5.156 8.944 242 HG22 VAL 42 1HG2 VAL 42 9.565 -6.515 7.891 243 HG23 VAL 42 2HG2 VAL 42 11.209 -6.335 8.540 244 H GLU 43 H GLU 43 11.472 -8.208 6.764 245 HA GLU 43 HA GLU 43 14.021 -7.994 8.088 246 HB2 GLU 43 1HB GLU 43 12.089 -9.487 8.644 247 HB3 GLU 43 2HB GLU 43 12.548 -10.484 7.234 248 HG2 GLU 43 1HG GLU 43 13.675 -11.581 9.042 249 HG3 GLU 43 2HG GLU 43 14.873 -10.625 8.269 250 HE2 GLU 43 HE2 GLU 43 15.468 -11.358 10.401 251 H ALA 44 H ALA 44 12.911 -9.332 4.928 252 HA ALA 44 HA ALA 44 15.527 -10.362 4.214 253 HB1 ALA 44 3HB ALA 44 13.400 -11.129 3.031 254 HB2 ALA 44 1HB ALA 44 13.177 -9.482 2.417 255 HB3 ALA 44 2HB ALA 44 14.583 -10.416 1.872 256 H LEU 45 H LEU 45 13.809 -7.230 3.666 257 HA LEU 45 HA LEU 45 15.931 -6.023 2.159 258 HB2 LEU 45 1HB LEU 45 13.428 -5.419 2.894 259 HB3 LEU 45 2HB LEU 45 14.380 -4.375 3.991 260 HG LEU 45 HG LEU 45 14.630 -4.215 1.013 261 HD11 LEU 45 1HD1 LEU 45 12.856 -2.666 2.903 262 HD12 LEU 45 2HD1 LEU 45 12.334 -3.928 1.758 263 HD13 LEU 45 3HD1 LEU 45 13.038 -2.410 1.172 264 HD21 LEU 45 3HD2 LEU 45 15.413 -1.920 1.471 265 HD22 LEU 45 1HD2 LEU 45 16.525 -3.205 2.032 266 HD23 LEU 45 2HD2 LEU 45 15.517 -2.332 3.217 267 H TYR 46 H TYR 46 15.481 -6.315 5.633 268 HA TYR 46 HA TYR 46 17.759 -4.742 6.398 269 HB2 TYR 46 1HB TYR 46 16.033 -5.193 7.993 270 HB3 TYR 46 2HB TYR 46 16.267 -6.939 7.837 271 HD1 TYR 46 HD2 TYR 46 17.812 -3.821 9.194 272 HD2 TYR 46 HD1 TYR 46 18.208 -8.123 8.878 273 HE1 TYR 46 HE2 TYR 46 19.459 -3.816 11.034 274 HE2 TYR 46 HE1 TYR 46 19.849 -8.069 10.670 275 HH TYR 46 HH TYR 46 20.883 -6.755 12.355 276 H LEU 47 H LEU 47 17.232 -8.266 5.646 277 HA LEU 47 HA LEU 47 19.970 -8.914 6.354 278 HB2 LEU 47 1HB LEU 47 18.022 -10.269 4.463 279 HB3 LEU 47 2HB LEU 47 19.611 -10.905 4.787 280 HG LEU 47 HG LEU 47 17.715 -10.429 7.034 281 HD11 LEU 47 1HD1 LEU 47 17.053 -12.794 6.802 282 HD12 LEU 47 2HD1 LEU 47 18.018 -12.937 5.320 283 HD13 LEU 47 3HD1 LEU 47 16.611 -11.893 5.350 284 HD21 LEU 47 3HD2 LEU 47 19.118 -12.398 7.963 285 HD22 LEU 47 1HD2 LEU 47 19.973 -10.860 7.838 286 HD23 LEU 47 2HD2 LEU 47 20.240 -12.133 6.612 287 H VAL 48 H VAL 48 18.690 -7.672 3.260 288 HA VAL 48 HA VAL 48 21.453 -7.942 2.103 289 HB VAL 48 HB VAL 48 19.523 -8.525 0.676 290 HG11 VAL 48 1HG1 VAL 48 17.772 -7.130 1.505 291 HG12 VAL 48 2HG1 VAL 48 18.626 -5.628 1.054 292 HG13 VAL 48 3HG1 VAL 48 18.032 -6.747 -0.192 293 HG21 VAL 48 3HG2 VAL 48 20.861 -5.923 -0.315 294 HG22 VAL 48 1HG2 VAL 48 21.580 -7.545 -0.376 295 HG23 VAL 48 2HG2 VAL 48 20.137 -7.200 -1.298 296 H CYS 49 H CYS 49 19.342 -5.291 3.177 297 HA CYS 49 HA CYS 49 21.547 -3.380 2.611 298 HB2 CYS 49 1HB CYS 49 19.138 -3.610 1.200 299 HB3 CYS 49 2HB CYS 49 18.815 -2.293 2.297 300 H GLY 50 H GLY 50 20.479 -4.606 5.234 301 HA2 GLY 50 1HA GLY 50 19.077 -2.404 6.572 302 HA3 GLY 50 2HA GLY 50 19.651 -3.906 7.281 303 H GLU 51 H GLU 51 21.074 -0.874 5.926 304 HA GLU 51 HA GLU 51 23.281 -1.147 7.705 305 HB2 GLU 51 1HB GLU 51 23.116 -0.021 5.324 306 HB3 GLU 51 2HB GLU 51 22.592 1.403 6.316 307 HG2 GLU 51 1HG GLU 51 25.024 1.540 5.939 308 HG3 GLU 51 2HG GLU 51 24.801 1.068 7.631 309 HE2 GLU 51 HE2 GLU 51 24.954 -0.395 4.568 310 H GLN 52 H GLN 52 21.356 -1.375 9.453 311 HA GLN 52 HA GLN 52 20.390 -0.592 11.367 312 HB2 GLN 52 1HB GLN 52 22.683 1.439 11.188 313 HB3 GLN 52 2HB GLN 52 21.739 1.089 12.636 314 HG2 GLN 52 1HG GLN 52 23.448 -0.975 11.195 315 HG3 GLN 52 2HG GLN 52 23.933 -0.019 12.611 316 HE21 GLN 52 2HE2 GLN 52 22.964 -3.016 11.848 317 HE22 GLN 52 1HE2 GLN 52 22.059 -3.407 13.286 318 H GLY 53 H GLY 53 19.307 0.359 8.897 319 HA2 GLY 53 1HA GLY 53 18.519 3.151 9.417 320 HA3 GLY 53 2HA GLY 53 18.264 2.259 7.933 321 H PHE 54 H PHE 54 16.932 -0.004 9.456 322 HA PHE 54 HA PHE 54 14.226 1.077 9.377 323 HB2 PHE 54 1HB PHE 54 15.508 -1.585 10.165 324 HB3 PHE 54 2HB PHE 54 13.764 -1.264 10.397 325 HD1 PHE 54 HD2 PHE 54 12.303 -0.619 8.378 326 HD2 PHE 54 HD1 PHE 54 16.301 -2.309 8.005 327 HE1 PHE 54 HE2 PHE 54 11.904 -1.109 6.013 328 HE2 PHE 54 HE1 PHE 54 15.795 -2.931 5.627 329 HZ PHE 54 HZ PHE 54 13.568 -2.309 4.676 330 H PHE 55 H PHE 55 16.679 0.522 11.908 331 HA PHE 55 HA PHE 55 14.741 1.394 13.987 332 HB2 PHE 55 1HB PHE 55 14.618 -1.127 13.536 333 HB3 PHE 55 2HB PHE 55 16.206 -1.246 14.298 334 HD1 PHE 55 HD2 PHE 55 12.669 -0.118 14.822 335 HD2 PHE 55 HD1 PHE 55 16.422 -1.235 16.628 336 HE1 PHE 55 HE2 PHE 55 11.544 -0.164 17.025 337 HE2 PHE 55 HE1 PHE 55 15.285 -1.268 18.865 338 HZ PHE 55 HZ PHE 55 12.830 -0.785 19.082 339 H TYR 56 H TYR 56 15.775 1.946 15.989 340 HA TYR 56 HA TYR 56 18.726 2.453 15.711 341 HB2 TYR 56 1HB TYR 56 17.340 4.441 15.368 342 HB3 TYR 56 2HB TYR 56 16.497 4.124 16.907 343 HD1 TYR 56 HD2 TYR 56 19.973 4.532 15.653 344 HD2 TYR 56 HD1 TYR 56 17.203 5.253 18.846 345 HE1 TYR 56 HE2 TYR 56 21.698 5.904 16.836 346 HE2 TYR 56 HE1 TYR 56 18.934 6.550 20.071 347 HH TYR 56 HH TYR 56 21.164 7.485 19.901 348 H THR 57 H THR 57 19.785 1.171 16.948 349 HA THR 57 HA THR 57 19.005 0.790 19.795 350 HB THR 57 HB THR 57 20.286 -1.534 19.340 351 HG1 THR 57 HG1 THR 57 19.674 -2.204 17.187 352 HG21 THR 57 1HG2 THR 57 17.937 -1.278 20.157 353 HG22 THR 57 2HG2 THR 57 18.095 -2.574 18.968 354 HG23 THR 57 3HG2 THR 57 17.426 -0.992 18.504 355 HA PRO 58 HA PRO 58 23.317 2.384 19.541 356 HB2 PRO 58 1HB PRO 58 23.221 4.297 21.440 357 HB3 PRO 58 2HB PRO 58 22.409 4.583 19.900 358 HG2 PRO 58 1HG PRO 58 21.258 3.454 22.441 359 HG3 PRO 58 2HG PRO 58 20.676 4.891 21.518 360 HD2 PRO 58 1HD PRO 58 19.643 2.401 21.305 361 HD3 PRO 58 2HD PRO 58 19.770 3.438 19.847 362 H LYS 59 H LYS 59 23.334 0.006 20.414 363 HA LYS 59 HA LYS 59 24.645 0.013 23.114 364 HB2 LYS 59 1HB LYS 59 23.403 -1.910 23.841 365 HB3 LYS 59 2HB LYS 59 22.200 -0.687 23.448 366 HG2 LYS 59 1HG LYS 59 21.610 -1.796 21.392 367 HG3 LYS 59 2HG LYS 59 22.943 -2.943 21.561 368 HD2 LYS 59 1HD LYS 59 20.999 -4.135 22.203 369 HD3 LYS 59 2HD LYS 59 21.892 -3.769 23.735 370 HE2 LYS 59 1HE LYS 59 20.249 -1.834 24.071 371 HE3 LYS 59 2HE LYS 59 19.417 -2.248 22.563 372 HZ1 LYS 59 3HZ LYS 59 19.731 -4.147 24.801 373 HZ2 LYS 59 1HZ LYS 59 18.771 -4.323 23.486 374 HZ3 LYS 59 2HZ LYS 59 18.453 -3.187 24.619 375 H THR 60 H THR 60 26.105 -1.783 23.266 376 HA THR 60 HA THR 60 27.191 -2.543 20.625 377 HB THR 60 HB THR 60 28.482 -3.678 22.981 378 HG1 THR 60 HG1 THR 60 28.847 -1.205 23.639 379 HG21 THR 60 1HG2 THR 60 29.804 -3.256 21.004 380 HG22 THR 60 2HG2 THR 60 30.343 -2.197 22.217 381 HG23 THR 60 3HG2 THR 60 29.361 -1.524 20.901 382 HXT THR 60 H02 THR 60 25.907 -3.972 23.156 Start of MODEL 17 1 H1 GLY 1 2H0 GLY 1 3.722 1.340 -0.455 2 H2 GLY 1 1H0 GLY 1 4.701 2.145 -1.498 3 HA2 GLY 1 1HA GLY 1 2.448 0.507 -2.539 4 HA3 GLY 1 2HA GLY 1 3.808 1.212 -3.476 5 H ILE 2 H ILE 2 5.795 0.461 -1.452 6 HA ILE 2 HA ILE 2 6.652 -1.966 -2.507 7 HB ILE 2 HB ILE 2 8.199 -0.531 -1.250 8 HG12 ILE 2 1HG1 ILE 2 7.886 -3.133 0.256 9 HG13 ILE 2 2HG1 ILE 2 8.592 -2.958 -1.361 10 HG21 ILE 2 1HG2 ILE 2 6.551 0.340 0.456 11 HG22 ILE 2 2HG2 ILE 2 6.790 -1.172 1.353 12 HG23 ILE 2 3HG2 ILE 2 8.155 -0.060 1.092 13 HD11 ILE 2 3HD1 ILE 2 10.511 -3.048 -0.082 14 HD12 ILE 2 1HD1 ILE 2 10.267 -1.323 -0.275 15 HD13 ILE 2 2HD1 ILE 2 9.822 -2.095 1.239 16 H VAL 3 H VAL 3 4.717 -1.533 0.481 17 HA VAL 3 HA VAL 3 4.866 -4.303 1.223 18 HB VAL 3 HB VAL 3 2.638 -2.348 1.856 19 HG11 VAL 3 1HG1 VAL 3 2.115 -4.719 2.350 20 HG12 VAL 3 2HG1 VAL 3 3.608 -4.866 3.256 21 HG13 VAL 3 3HG1 VAL 3 2.348 -3.772 3.832 22 HG21 VAL 3 3HG2 VAL 3 3.855 -1.662 3.823 23 HG22 VAL 3 1HG2 VAL 3 5.056 -2.947 3.630 24 HG23 VAL 3 2HG2 VAL 3 5.032 -1.571 2.539 25 H GLU 4 H GLU 4 2.054 -2.587 -0.350 26 HA GLU 4 HA GLU 4 0.637 -5.040 -0.808 27 HB2 GLU 4 1HB GLU 4 -0.828 -3.757 -2.084 28 HB3 GLU 4 2HB GLU 4 -0.358 -2.835 -0.698 29 HG2 GLU 4 1HG GLU 4 1.364 -1.539 -2.221 30 HG3 GLU 4 2HG GLU 4 0.577 -2.361 -3.601 31 HE2 GLU 4 HE2 GLU 4 -0.910 0.795 -3.120 32 H GLN 5 H GLN 5 3.229 -3.522 -2.714 33 HA GLN 5 HA GLN 5 2.586 -5.047 -5.015 34 HB2 GLN 5 1HB GLN 5 3.983 -2.930 -5.015 35 HB3 GLN 5 2HB GLN 5 5.255 -3.869 -4.193 36 HG2 GLN 5 1HG GLN 5 5.860 -4.957 -6.139 37 HG3 GLN 5 2HG GLN 5 4.169 -5.095 -6.688 38 HE21 GLN 5 2HE2 GLN 5 3.725 -4.039 -8.484 39 HE22 GLN 5 1HE2 GLN 5 4.544 -2.546 -9.007 40 H CYS 6 H CYS 6 5.056 -5.548 -2.367 41 HA CYS 6 HA CYS 6 5.827 -8.119 -3.554 42 HB2 CYS 6 1HB CYS 6 6.439 -6.957 -0.854 43 HB3 CYS 6 2HB CYS 6 7.306 -8.323 -1.549 44 H CYS 7 H CYS 7 3.316 -7.301 -1.368 45 HA CYS 7 HA CYS 7 2.932 -9.956 -0.244 46 HB2 CYS 7 1HB CYS 7 1.065 -7.557 -0.490 47 HB3 CYS 7 2HB CYS 7 0.660 -9.047 0.316 48 H THR 8 H THR 8 2.148 -8.413 -3.349 49 HA THR 8 HA THR 8 0.387 -10.814 -3.939 50 HB THR 8 HB THR 8 -0.771 -9.287 -5.550 51 HG1 THR 8 HG1 THR 8 0.488 -7.055 -4.406 52 HG21 THR 8 1HG2 THR 8 -1.451 -9.348 -3.014 53 HG22 THR 8 2HG2 THR 8 -1.990 -7.928 -3.965 54 HG23 THR 8 3HG2 THR 8 -0.624 -7.832 -2.827 55 H SER 9 H SER 9 3.327 -9.266 -4.721 56 HA SER 9 HA SER 9 3.468 -10.872 -7.220 57 HB2 SER 9 1HB SER 9 4.790 -8.140 -6.777 58 HB3 SER 9 2HB SER 9 4.713 -9.046 -8.315 59 HG SER 9 HG SER 9 2.431 -8.205 -6.882 60 H ILE 10 H ILE 10 5.895 -11.282 -7.757 61 HA ILE 10 HA ILE 10 7.401 -11.754 -5.232 62 HB ILE 10 HB ILE 10 8.108 -12.794 -8.047 63 HG12 ILE 10 1HG1 ILE 10 6.659 -14.235 -5.770 64 HG13 ILE 10 2HG1 ILE 10 5.902 -13.733 -7.269 65 HG21 ILE 10 1HG2 ILE 10 9.891 -12.576 -6.088 66 HG22 ILE 10 2HG2 ILE 10 9.010 -13.861 -5.317 67 HG23 ILE 10 3HG2 ILE 10 9.750 -14.132 -6.895 68 HD11 ILE 10 3HD1 ILE 10 7.389 -15.235 -8.586 69 HD12 ILE 10 1HD1 ILE 10 8.049 -15.867 -7.063 70 HD13 ILE 10 2HD1 ILE 10 6.366 -16.099 -7.435 71 H CYS 11 H CYS 11 8.668 -10.218 -4.695 72 HA CYS 11 HA CYS 11 9.780 -8.278 -6.597 73 HB2 CYS 11 1HB CYS 11 9.851 -8.521 -3.554 74 HB3 CYS 11 2HB CYS 11 10.586 -7.206 -4.467 75 H SER 12 H SER 12 11.601 -8.977 -7.645 76 HA SER 12 HA SER 12 13.422 -10.983 -6.560 77 HB2 SER 12 1HB SER 12 13.270 -10.451 -8.946 78 HB3 SER 12 2HB SER 12 13.889 -8.800 -8.635 79 HG SER 12 HG SER 12 15.285 -11.079 -9.027 80 H LEU 13 H LEU 13 15.551 -10.707 -5.739 81 HA LEU 13 HA LEU 13 15.817 -8.577 -3.833 82 HB2 LEU 13 1HB LEU 13 17.983 -9.362 -3.315 83 HB3 LEU 13 2HB LEU 13 17.056 -10.813 -3.690 84 HG LEU 13 HG LEU 13 18.975 -9.447 -5.639 85 HD11 LEU 13 1HD1 LEU 13 19.428 -11.691 -3.597 86 HD12 LEU 13 2HD1 LEU 13 20.290 -10.134 -3.748 87 HD13 LEU 13 3HD1 LEU 13 20.481 -11.360 -4.982 88 HD21 LEU 13 3HD2 LEU 13 18.883 -11.579 -6.834 89 HD22 LEU 13 1HD2 LEU 13 17.215 -11.012 -6.649 90 HD23 LEU 13 2HD2 LEU 13 17.848 -12.291 -5.553 91 H TYR 14 H TYR 14 16.737 -8.935 -7.203 92 HA TYR 14 HA TYR 14 18.524 -6.719 -7.462 93 HB2 TYR 14 1HB TYR 14 17.812 -8.511 -9.133 94 HB3 TYR 14 2HB TYR 14 16.414 -7.552 -9.450 95 HD1 TYR 14 HD1 TYR 14 20.102 -7.625 -9.647 96 HD2 TYR 14 HD2 TYR 14 16.538 -5.587 -10.830 97 HE1 TYR 14 HE1 TYR 14 21.373 -6.253 -11.299 98 HE2 TYR 14 HE2 TYR 14 17.794 -4.182 -12.466 99 HH TYR 14 HH TYR 14 21.350 -4.575 -12.878 100 H GLN 15 H GLN 15 14.994 -6.900 -7.213 101 HA GLN 15 HA GLN 15 14.634 -4.077 -7.777 102 HB2 GLN 15 1HB GLN 15 13.061 -5.956 -8.441 103 HB3 GLN 15 2HB GLN 15 12.532 -5.981 -6.742 104 HG2 GLN 15 1HG GLN 15 10.977 -4.598 -7.586 105 HG3 GLN 15 2HG GLN 15 12.217 -3.398 -7.258 106 HE21 GLN 15 2HE2 GLN 15 10.118 -4.546 -9.548 107 HE22 GLN 15 1HE2 GLN 15 10.921 -3.947 -10.990 108 H LEU 16 H LEU 16 14.464 -6.283 -4.980 109 HA LEU 16 HA LEU 16 13.430 -4.489 -3.102 110 HB2 LEU 16 1HB LEU 16 13.690 -6.995 -2.917 111 HB3 LEU 16 2HB LEU 16 15.400 -6.718 -2.625 112 HG LEU 16 HG LEU 16 14.779 -5.389 -0.599 113 HD11 LEU 16 1HD1 LEU 16 12.331 -5.045 -1.257 114 HD12 LEU 16 2HD1 LEU 16 12.556 -5.690 0.377 115 HD13 LEU 16 3HD1 LEU 16 12.072 -6.758 -0.971 116 HD21 LEU 16 3HD2 LEU 16 13.992 -8.343 -0.755 117 HD22 LEU 16 1HD2 LEU 16 14.428 -7.483 0.735 118 HD23 LEU 16 2HD2 LEU 16 15.630 -7.746 -0.521 119 H GLU 17 H GLU 17 16.895 -5.125 -4.086 120 HA GLU 17 HA GLU 17 17.978 -3.443 -2.062 121 HB2 GLU 17 1HB GLU 17 19.985 -3.388 -3.434 122 HB3 GLU 17 2HB GLU 17 19.286 -4.995 -3.303 123 HG2 GLU 17 1HG GLU 17 18.344 -4.795 -5.530 124 HG3 GLU 17 2HG GLU 17 19.021 -3.182 -5.673 125 HE2 GLU 17 HE2 GLU 17 21.440 -6.293 -5.611 126 H ASN 18 H ASN 18 16.382 -2.528 -5.115 127 HA ASN 18 HA ASN 18 17.506 0.134 -5.329 128 HB2 ASN 18 1HB ASN 18 16.317 -1.233 -7.117 129 HB3 ASN 18 2HB ASN 18 14.771 -0.862 -6.314 130 HD21 ASN 18 2HD2 ASN 18 13.756 0.611 -7.394 131 HD22 ASN 18 1HD2 ASN 18 14.448 1.976 -8.166 132 H TYR 19 H TYR 19 15.028 -1.301 -3.269 133 HA TYR 19 HA TYR 19 13.757 1.312 -2.623 134 HB2 TYR 19 1HB TYR 19 13.847 -1.219 -0.955 135 HB3 TYR 19 2HB TYR 19 12.885 0.223 -0.633 136 HD1 TYR 19 HD1 TYR 19 11.330 0.839 -2.799 137 HD2 TYR 19 HD2 TYR 19 12.771 -3.026 -1.941 138 HE1 TYR 19 HE1 TYR 19 9.380 -0.120 -4.104 139 HE2 TYR 19 HE2 TYR 19 10.921 -4.000 -3.243 140 HH TYR 19 HH TYR 19 9.062 -3.671 -4.508 141 H CYS 20 H CYS 20 16.658 -0.260 -1.770 142 HA CYS 20 HA CYS 20 16.967 1.152 0.804 143 HB2 CYS 20 1HB CYS 20 17.747 -1.331 0.291 144 HB3 CYS 20 2HB CYS 20 19.174 -0.537 -0.440 145 H ASN 21 H ASN 21 17.173 2.326 -2.222 146 HA ASN 21 HA ASN 21 19.288 4.169 -1.446 147 HB2 ASN 21 1HB ASN 21 20.742 3.870 -3.341 148 HB3 ASN 21 2HB ASN 21 20.700 2.403 -2.334 149 HD21 ASN 21 2HD2 ASN 21 20.809 0.658 -3.567 150 HD22 ASN 21 1HD2 ASN 21 20.046 0.520 -5.139 151 HXT ASN 21 H02 ASN 21 18.086 6.094 -3.862 152 H1 PHE 31 2H0 PHE 31 19.012 -14.954 -3.406 153 H2 PHE 31 1H0 PHE 31 18.008 -13.751 -2.912 154 HA PHE 31 HA PHE 31 18.536 -16.184 -1.400 155 HB2 PHE 31 1HB PHE 31 17.227 -15.124 0.402 156 HB3 PHE 31 2HB PHE 31 18.444 -13.978 -0.136 157 HD1 PHE 31 HD2 PHE 31 14.851 -14.820 -0.209 158 HD2 PHE 31 HD1 PHE 31 17.844 -11.846 -1.097 159 HE1 PHE 31 HE2 PHE 31 13.094 -13.192 -0.575 160 HE2 PHE 31 HE1 PHE 31 15.998 -10.175 -1.405 161 HZ PHE 31 HZ PHE 31 13.604 -10.917 -1.126 162 H VAL 32 H VAL 32 16.218 -16.976 -0.597 163 HA VAL 32 HA VAL 32 15.136 -18.261 -2.859 164 HB VAL 32 HB VAL 32 14.916 -19.115 -0.539 165 HG11 VAL 32 1HG1 VAL 32 12.760 -17.094 -0.083 166 HG12 VAL 32 2HG1 VAL 32 13.327 -18.343 1.064 167 HG13 VAL 32 3HG1 VAL 32 14.402 -17.011 0.611 168 HG21 VAL 32 3HG2 VAL 32 13.303 -19.870 -2.430 169 HG22 VAL 32 1HG2 VAL 32 12.626 -20.092 -0.780 170 HG23 VAL 32 2HG2 VAL 32 12.119 -18.718 -1.805 171 H ASN 33 H ASN 33 13.702 -17.719 -4.427 172 HA ASN 33 HA ASN 33 12.601 -14.995 -4.252 173 HB2 ASN 33 1HB ASN 33 12.052 -15.306 -6.533 174 HB3 ASN 33 2HB ASN 33 13.737 -15.817 -6.204 175 HD21 ASN 33 2HD2 ASN 33 10.866 -16.638 -7.689 176 HD22 ASN 33 1HD2 ASN 33 11.139 -18.366 -7.859 177 H GLN 34 H GLN 34 10.813 -14.817 -2.993 178 HA GLN 34 HA GLN 34 8.490 -16.677 -3.449 179 HB2 GLN 34 1HB GLN 34 10.114 -17.234 -1.448 180 HB3 GLN 34 2HB GLN 34 9.542 -15.739 -0.718 181 HG2 GLN 34 1HG GLN 34 7.341 -16.615 -0.458 182 HG3 GLN 34 2HG GLN 34 7.719 -18.047 -1.452 183 HE21 GLN 34 2HE2 GLN 34 8.860 -19.692 -0.596 184 HE22 GLN 34 1HE2 GLN 34 9.260 -19.775 1.096 185 H HIS 35 H HIS 35 6.463 -15.642 -2.499 186 HA HIS 35 HA HIS 35 6.331 -12.725 -2.862 187 HB2 HIS 35 1HB HIS 35 4.382 -14.774 -1.602 188 HB3 HIS 35 2HB HIS 35 4.037 -13.044 -1.863 189 HD1 HIS 35 HD1 HIS 35 4.478 -12.187 -4.532 190 HD2 HIS 35 HD2 HIS 35 3.211 -16.164 -3.764 191 HE1 HIS 35 HE1 HIS 35 3.369 -13.090 -6.594 192 HE2 HIS 35 HE2 HIS 35 2.731 -15.484 -6.229 193 H LEU 36 H LEU 36 6.210 -11.219 -1.177 194 HA LEU 36 HA LEU 36 7.347 -12.186 1.428 195 HB2 LEU 36 1HB LEU 36 8.446 -10.327 -0.537 196 HB3 LEU 36 2HB LEU 36 8.317 -9.612 1.043 197 HG LEU 36 HG LEU 36 9.803 -11.269 2.011 198 HD11 LEU 36 1HD1 LEU 36 9.768 -12.667 -0.664 199 HD12 LEU 36 2HD1 LEU 36 9.217 -13.312 0.883 200 HD13 LEU 36 3HD1 LEU 36 10.951 -12.996 0.618 201 HD21 LEU 36 3HD2 LEU 36 10.786 -9.347 0.785 202 HD22 LEU 36 1HD2 LEU 36 10.808 -10.331 -0.714 203 HD23 LEU 36 2HD2 LEU 36 11.819 -10.785 0.675 204 H CYS 37 H CYS 37 5.675 -11.928 2.827 205 HA CYS 37 HA CYS 37 4.589 -9.242 3.230 206 HB2 CYS 37 1HB CYS 37 3.185 -10.817 1.695 207 HB3 CYS 37 2HB CYS 37 2.654 -11.526 3.216 208 H GLY 38 H GLY 38 4.132 -8.876 5.437 209 HA2 GLY 38 1HA GLY 38 3.838 -9.264 7.640 210 HA3 GLY 38 2HA GLY 38 3.539 -10.976 7.284 211 H SER 39 H SER 39 5.843 -8.528 8.298 212 HA SER 39 HA SER 39 7.913 -8.502 9.123 213 HB2 SER 39 1HB SER 39 7.620 -11.428 9.784 214 HB3 SER 39 2HB SER 39 8.743 -10.257 10.564 215 HG SER 39 HG SER 39 6.724 -10.686 11.641 216 H HIS 40 H HIS 40 7.640 -11.474 7.165 217 HA HIS 40 HA HIS 40 10.359 -11.828 6.653 218 HB2 HIS 40 1HB HIS 40 7.918 -12.801 5.636 219 HB3 HIS 40 2HB HIS 40 8.988 -12.481 4.265 220 HD1 HIS 40 HD1 HIS 40 11.187 -14.033 4.045 221 HD2 HIS 40 HD2 HIS 40 8.718 -14.889 7.413 222 HE1 HIS 40 HE1 HIS 40 11.911 -16.214 5.013 223 HE2 HIS 40 HE2 HIS 40 10.520 -16.681 7.063 224 H LEU 41 H LEU 41 8.141 -9.633 4.917 225 HA LEU 41 HA LEU 41 9.865 -8.893 2.822 226 HB2 LEU 41 1HB LEU 41 7.473 -8.305 2.921 227 HB3 LEU 41 2HB LEU 41 7.764 -7.261 4.319 228 HG LEU 41 HG LEU 41 9.005 -5.713 2.931 229 HD11 LEU 41 1HD1 LEU 41 10.022 -7.080 1.286 230 HD12 LEU 41 2HD1 LEU 41 8.992 -5.823 0.547 231 HD13 LEU 41 3HD1 LEU 41 8.418 -7.517 0.635 232 HD21 LEU 41 3HD2 LEU 41 6.476 -5.766 3.252 233 HD22 LEU 41 1HD2 LEU 41 6.355 -6.448 1.609 234 HD23 LEU 41 2HD2 LEU 41 7.036 -4.820 1.889 235 H VAL 42 H VAL 42 9.528 -7.150 5.998 236 HA VAL 42 HA VAL 42 11.612 -5.319 5.371 237 HB VAL 42 HB VAL 42 9.656 -4.983 6.952 238 HG11 VAL 42 1HG1 VAL 42 9.964 -5.612 9.288 239 HG12 VAL 42 2HG1 VAL 42 9.788 -7.028 8.270 240 HG13 VAL 42 3HG1 VAL 42 11.390 -6.572 8.902 241 HG21 VAL 42 3HG2 VAL 42 12.468 -4.344 8.027 242 HG22 VAL 42 1HG2 VAL 42 11.518 -3.397 6.907 243 HG23 VAL 42 2HG2 VAL 42 10.918 -3.602 8.565 244 H GLU 43 H GLU 43 11.477 -8.503 6.874 245 HA GLU 43 HA GLU 43 14.142 -8.441 8.089 246 HB2 GLU 43 1HB GLU 43 12.331 -10.274 8.426 247 HB3 GLU 43 2HB GLU 43 12.710 -10.853 6.842 248 HG2 GLU 43 1HG GLU 43 15.078 -11.320 7.586 249 HG3 GLU 43 2HG GLU 43 14.618 -10.692 9.175 250 HE2 GLU 43 HE2 GLU 43 14.262 -14.154 9.445 251 H ALA 44 H ALA 44 12.980 -9.578 4.860 252 HA ALA 44 HA ALA 44 15.623 -10.198 3.798 253 HB1 ALA 44 3HB ALA 44 13.634 -11.114 2.774 254 HB2 ALA 44 1HB ALA 44 12.983 -9.489 2.448 255 HB3 ALA 44 2HB ALA 44 14.436 -10.082 1.598 256 H LEU 45 H LEU 45 13.631 -7.226 3.702 257 HA LEU 45 HA LEU 45 15.382 -5.645 2.105 258 HB2 LEU 45 1HB LEU 45 13.054 -5.131 2.739 259 HB3 LEU 45 2HB LEU 45 13.584 -4.819 4.351 260 HG LEU 45 HG LEU 45 15.038 -2.953 3.639 261 HD11 LEU 45 1HD1 LEU 45 14.679 -1.952 1.303 262 HD12 LEU 45 2HD1 LEU 45 13.808 -3.415 0.834 263 HD13 LEU 45 3HD1 LEU 45 15.505 -3.497 1.215 264 HD21 LEU 45 3HD2 LEU 45 12.177 -2.714 2.643 265 HD22 LEU 45 1HD2 LEU 45 13.227 -1.395 3.196 266 HD23 LEU 45 2HD2 LEU 45 12.644 -2.624 4.351 267 H TYR 46 H TYR 46 15.292 -6.238 5.668 268 HA TYR 46 HA TYR 46 17.472 -4.505 6.256 269 HB2 TYR 46 1HB TYR 46 15.963 -5.630 7.980 270 HB3 TYR 46 2HB TYR 46 16.802 -7.165 7.682 271 HD1 TYR 46 HD1 TYR 46 19.245 -7.420 8.085 272 HD2 TYR 46 HD2 TYR 46 16.883 -4.070 9.432 273 HE1 TYR 46 HE1 TYR 46 21.011 -6.809 9.686 274 HE2 TYR 46 HE2 TYR 46 18.575 -3.580 11.155 275 HH TYR 46 HH TYR 46 21.626 -5.456 11.455 276 H LEU 47 H LEU 47 17.434 -7.951 5.313 277 HA LEU 47 HA LEU 47 20.234 -8.242 5.649 278 HB2 LEU 47 1HB LEU 47 18.244 -9.685 3.928 279 HB3 LEU 47 2HB LEU 47 19.933 -10.168 4.075 280 HG LEU 47 HG LEU 47 18.145 -9.895 6.514 281 HD11 LEU 47 1HD1 LEU 47 16.958 -11.450 5.086 282 HD12 LEU 47 2HD1 LEU 47 17.770 -12.367 6.358 283 HD13 LEU 47 3HD1 LEU 47 18.434 -12.347 4.741 284 HD21 LEU 47 3HD2 LEU 47 20.748 -10.076 6.513 285 HD22 LEU 47 1HD2 LEU 47 20.459 -11.817 6.135 286 HD23 LEU 47 2HD2 LEU 47 19.817 -11.069 7.635 287 H VAL 48 H VAL 48 18.273 -7.051 2.896 288 HA VAL 48 HA VAL 48 20.614 -7.348 1.173 289 HB VAL 48 HB VAL 48 18.219 -7.609 0.333 290 HG11 VAL 48 1HG1 VAL 48 18.254 -4.561 0.313 291 HG12 VAL 48 2HG1 VAL 48 17.096 -5.659 -0.520 292 HG13 VAL 48 3HG1 VAL 48 17.182 -5.629 1.229 293 HG21 VAL 48 3HG2 VAL 48 20.271 -7.461 -1.080 294 HG22 VAL 48 1HG2 VAL 48 18.777 -6.879 -1.888 295 HG23 VAL 48 2HG2 VAL 48 20.026 -5.726 -1.247 296 H CYS 49 H CYS 49 19.135 -4.857 3.170 297 HA CYS 49 HA CYS 49 20.705 -2.648 2.123 298 HB2 CYS 49 1HB CYS 49 19.318 -3.108 4.788 299 HB3 CYS 49 2HB CYS 49 20.235 -1.635 4.385 300 H GLY 50 H GLY 50 21.114 -4.889 4.977 301 HA2 GLY 50 1HA GLY 50 23.201 -5.269 6.177 302 HA3 GLY 50 2HA GLY 50 24.042 -4.348 4.912 303 H GLU 51 H GLU 51 21.235 -2.896 6.612 304 HA GLU 51 HA GLU 51 23.179 -1.331 8.175 305 HB2 GLU 51 1HB GLU 51 20.717 -0.330 6.668 306 HB3 GLU 51 2HB GLU 51 21.722 0.630 7.814 307 HG2 GLU 51 1HG GLU 51 23.676 0.379 6.315 308 HG3 GLU 51 2HG GLU 51 22.640 -0.535 5.174 309 HE2 GLU 51 HE2 GLU 51 23.525 1.120 3.903 310 H GLN 52 H GLN 52 22.545 -0.707 10.205 311 HA GLN 52 HA GLN 52 20.249 -2.313 11.184 312 HB2 GLN 52 1HB GLN 52 21.267 -1.996 13.368 313 HB3 GLN 52 2HB GLN 52 22.332 -2.768 12.168 314 HG2 GLN 52 1HG GLN 52 22.573 0.176 12.469 315 HG3 GLN 52 2HG GLN 52 23.135 -0.773 13.834 316 HE21 GLN 52 2HE2 GLN 52 24.970 -1.930 13.732 317 HE22 GLN 52 1HE2 GLN 52 26.036 -1.929 12.352 318 H GLY 53 H GLY 53 20.051 0.543 9.924 319 HA2 GLY 53 1HA GLY 53 19.018 1.995 12.264 320 HA3 GLY 53 2HA GLY 53 19.163 2.598 10.620 321 H PHE 54 H PHE 54 17.560 -0.450 11.180 322 HA PHE 54 HA PHE 54 15.096 0.538 9.978 323 HB2 PHE 54 1HB PHE 54 15.927 -2.164 11.028 324 HB3 PHE 54 2HB PHE 54 14.257 -1.804 10.560 325 HD1 PHE 54 HD2 PHE 54 17.662 -1.088 8.973 326 HD2 PHE 54 HD1 PHE 54 13.675 -2.612 8.503 327 HE1 PHE 54 HE2 PHE 54 18.114 -1.549 6.643 328 HE2 PHE 54 HE1 PHE 54 14.162 -3.035 6.061 329 HZ PHE 54 HZ PHE 54 16.358 -2.557 5.122 330 H PHE 55 H PHE 55 16.131 -0.603 13.227 331 HA PHE 55 HA PHE 55 13.810 0.876 14.412 332 HB2 PHE 55 1HB PHE 55 14.558 -1.965 14.977 333 HB3 PHE 55 2HB PHE 55 13.807 -0.938 16.230 334 HD1 PHE 55 HD2 PHE 55 13.188 -2.332 12.730 335 HD2 PHE 55 HD1 PHE 55 11.545 -0.456 16.357 336 HE1 PHE 55 HE2 PHE 55 10.895 -2.715 11.933 337 HE2 PHE 55 HE1 PHE 55 9.247 -0.893 15.495 338 HZ PHE 55 HZ PHE 55 8.900 -2.024 13.247 339 H TYR 56 H TYR 56 14.150 1.712 16.520 340 HA TYR 56 HA TYR 56 16.968 1.474 17.525 341 HB2 TYR 56 1HB TYR 56 16.904 3.372 16.015 342 HB3 TYR 56 2HB TYR 56 15.431 3.984 16.749 343 HD1 TYR 56 HD2 TYR 56 19.039 3.291 17.498 344 HD2 TYR 56 HD1 TYR 56 15.566 5.639 18.424 345 HE1 TYR 56 HE2 TYR 56 20.449 4.672 18.952 346 HE2 TYR 56 HE1 TYR 56 16.956 7.072 19.945 347 HH TYR 56 HH TYR 56 20.542 6.403 20.187 348 H THR 57 H THR 57 17.022 1.168 19.608 349 HA THR 57 HA THR 57 15.156 2.418 21.468 350 HB THR 57 HB THR 57 13.840 0.495 21.405 351 HG1 THR 57 HG1 THR 57 16.020 -0.328 23.087 352 HG21 THR 57 1HG2 THR 57 14.728 -1.791 20.962 353 HG22 THR 57 2HG2 THR 57 16.333 -1.057 20.673 354 HG23 THR 57 3HG2 THR 57 14.930 -0.640 19.631 355 HA PRO 58 HA PRO 58 19.621 2.258 22.440 356 HB2 PRO 58 1HB PRO 58 19.836 4.543 23.997 357 HB3 PRO 58 2HB PRO 58 19.787 4.598 22.197 358 HG2 PRO 58 1HG PRO 58 17.543 4.942 24.135 359 HG3 PRO 58 2HG PRO 58 17.996 5.968 22.717 360 HD2 PRO 58 1HD PRO 58 16.001 4.159 22.563 361 HD3 PRO 58 2HD PRO 58 17.115 4.449 21.208 362 H LYS 59 H LYS 59 20.386 0.992 24.031 363 HA LYS 59 HA LYS 59 19.582 1.382 26.839 364 HB2 LYS 59 1HB LYS 59 18.119 -0.458 25.864 365 HB3 LYS 59 2HB LYS 59 19.596 -1.364 25.523 366 HG2 LYS 59 1HG LYS 59 20.125 -1.462 27.961 367 HG3 LYS 59 2HG LYS 59 18.734 -0.435 28.325 368 HD2 LYS 59 1HD LYS 59 18.477 -3.063 26.843 369 HD3 LYS 59 2HD LYS 59 18.590 -2.970 28.630 370 HE2 LYS 59 1HE LYS 59 16.662 -1.450 28.704 371 HE3 LYS 59 2HE LYS 59 16.482 -1.605 26.935 372 HZ1 LYS 59 3HZ LYS 59 16.336 -4.099 27.533 373 HZ2 LYS 59 1HZ LYS 59 15.042 -3.121 27.963 374 HZ3 LYS 59 2HZ LYS 59 16.138 -3.534 29.119 375 H THR 60 H THR 60 21.625 1.819 27.619 376 HA THR 60 HA THR 60 23.968 1.720 27.974 377 HB THR 60 HB THR 60 23.993 -1.276 27.433 378 HG1 THR 60 HG1 THR 60 22.693 -0.236 29.683 379 HG21 THR 60 1HG2 THR 60 24.743 0.303 30.019 380 HG22 THR 60 2HG2 THR 60 25.895 -0.153 28.678 381 HG23 THR 60 3HG2 THR 60 25.121 -1.347 29.593 382 HXT THR 60 H02 THR 60 25.369 0.171 24.818 Start of MODEL 18 1 H1 GLY 1 2H0 GLY 1 3.637 2.092 1.632 2 H2 GLY 1 1H0 GLY 1 2.167 1.723 2.245 3 HA2 GLY 1 1HA GLY 1 1.556 0.294 0.642 4 HA3 GLY 1 2HA GLY 1 2.375 1.590 -0.224 5 H ILE 2 H ILE 2 4.752 0.240 1.249 6 HA ILE 2 HA ILE 2 5.940 -0.869 -1.079 7 HB ILE 2 HB ILE 2 7.474 0.069 0.418 8 HG12 ILE 2 1HG1 ILE 2 7.664 -2.897 1.105 9 HG13 ILE 2 2HG1 ILE 2 8.291 -2.161 -0.348 10 HG21 ILE 2 1HG2 ILE 2 6.003 0.114 2.438 11 HG22 ILE 2 2HG2 ILE 2 6.329 -1.632 2.692 12 HG23 ILE 2 3HG2 ILE 2 7.617 -0.416 2.872 13 HD11 ILE 2 3HD1 ILE 2 9.428 -2.030 2.417 14 HD12 ILE 2 1HD1 ILE 2 10.241 -2.170 0.843 15 HD13 ILE 2 2HD1 ILE 2 9.642 -0.590 1.391 16 H VAL 3 H VAL 3 4.342 -2.330 1.640 17 HA VAL 3 HA VAL 3 5.014 -5.039 0.842 18 HB VAL 3 HB VAL 3 2.438 -4.159 2.231 19 HG11 VAL 3 1HG1 VAL 3 2.313 -6.376 3.078 20 HG12 VAL 3 2HG1 VAL 3 2.718 -6.601 1.399 21 HG13 VAL 3 3HG1 VAL 3 4.012 -6.778 2.586 22 HG21 VAL 3 3HG2 VAL 3 4.233 -3.201 3.511 23 HG22 VAL 3 1HG2 VAL 3 3.651 -4.645 4.387 24 HG23 VAL 3 2HG2 VAL 3 5.202 -4.730 3.487 25 H GLU 4 H GLU 4 2.423 -2.818 -0.177 26 HA GLU 4 HA GLU 4 0.994 -4.860 -1.552 27 HB2 GLU 4 1HB GLU 4 0.853 -1.878 -1.832 28 HB3 GLU 4 2HB GLU 4 -0.322 -3.036 -2.496 29 HG2 GLU 4 1HG GLU 4 -0.623 -3.778 -0.047 30 HG3 GLU 4 2HG GLU 4 0.230 -2.260 0.414 31 HE2 GLU 4 HE2 GLU 4 -2.399 -0.447 -1.280 32 H GLN 5 H GLN 5 3.589 -2.571 -2.315 33 HA GLN 5 HA GLN 5 3.414 -2.901 -5.178 34 HB2 GLN 5 1HB GLN 5 5.690 -1.958 -3.369 35 HB3 GLN 5 2HB GLN 5 5.761 -1.879 -5.140 36 HG2 GLN 5 1HG GLN 5 3.857 -0.363 -5.128 37 HG3 GLN 5 2HG GLN 5 3.772 -0.409 -3.370 38 HE21 GLN 5 2HE2 GLN 5 4.979 1.293 -5.939 39 HE22 GLN 5 1HE2 GLN 5 6.280 2.104 -5.115 40 H CYS 6 H CYS 6 5.317 -4.519 -2.577 41 HA CYS 6 HA CYS 6 6.721 -6.108 -4.647 42 HB2 CYS 6 1HB CYS 6 7.329 -5.111 -2.049 43 HB3 CYS 6 2HB CYS 6 7.379 -6.890 -1.924 44 H CYS 7 H CYS 7 4.432 -6.674 -1.901 45 HA CYS 7 HA CYS 7 4.568 -9.587 -2.341 46 HB2 CYS 7 1HB CYS 7 4.477 -8.682 -0.078 47 HB3 CYS 7 2HB CYS 7 2.893 -7.964 -0.400 48 H THR 8 H THR 8 3.922 -9.383 -4.534 49 HA THR 8 HA THR 8 0.957 -9.751 -4.778 50 HB THR 8 HB THR 8 0.597 -7.688 -5.671 51 HG1 THR 8 HG1 THR 8 0.599 -8.769 -7.617 52 HG21 THR 8 1HG2 THR 8 3.644 -7.481 -6.207 53 HG22 THR 8 2HG2 THR 8 2.751 -6.728 -4.887 54 HG23 THR 8 3HG2 THR 8 2.454 -6.217 -6.534 55 H SER 9 H SER 9 4.206 -9.730 -6.460 56 HA SER 9 HA SER 9 3.320 -12.235 -7.773 57 HB2 SER 9 1HB SER 9 2.776 -10.236 -9.281 58 HB3 SER 9 2HB SER 9 4.541 -10.005 -9.441 59 HG SER 9 HG SER 9 3.051 -11.692 -10.798 60 H ILE 10 H ILE 10 5.111 -11.737 -5.648 61 HA ILE 10 HA ILE 10 7.222 -12.319 -4.919 62 HB ILE 10 HB ILE 10 7.645 -13.822 -7.565 63 HG12 ILE 10 1HG1 ILE 10 6.221 -14.802 -5.055 64 HG13 ILE 10 2HG1 ILE 10 5.446 -14.482 -6.588 65 HG21 ILE 10 1HG2 ILE 10 9.664 -13.586 -6.010 66 HG22 ILE 10 2HG2 ILE 10 8.711 -14.375 -4.723 67 HG23 ILE 10 3HG2 ILE 10 9.137 -15.287 -6.196 68 HD11 ILE 10 3HD1 ILE 10 7.091 -16.295 -7.569 69 HD12 ILE 10 1HD1 ILE 10 7.350 -16.756 -5.871 70 HD13 ILE 10 2HD1 ILE 10 5.747 -16.857 -6.581 71 H CYS 11 H CYS 11 7.775 -9.940 -5.160 72 HA CYS 11 HA CYS 11 8.873 -8.995 -7.556 73 HB2 CYS 11 1HB CYS 11 9.560 -7.072 -6.249 74 HB3 CYS 11 2HB CYS 11 7.985 -7.650 -5.699 75 H SER 12 H SER 12 11.091 -8.574 -8.236 76 HA SER 12 HA SER 12 12.862 -10.732 -7.409 77 HB2 SER 12 1HB SER 12 13.457 -8.487 -9.383 78 HB3 SER 12 2HB SER 12 14.217 -10.092 -9.293 79 HG SER 12 HG SER 12 12.345 -10.988 -10.041 80 H LEU 13 H LEU 13 15.315 -10.264 -7.060 81 HA LEU 13 HA LEU 13 15.479 -8.476 -4.779 82 HB2 LEU 13 1HB LEU 13 17.678 -9.200 -4.501 83 HB3 LEU 13 2HB LEU 13 16.911 -10.559 -5.263 84 HG LEU 13 HG LEU 13 17.946 -9.330 -7.420 85 HD11 LEU 13 1HD1 LEU 13 19.170 -7.632 -5.936 86 HD12 LEU 13 2HD1 LEU 13 20.209 -8.580 -7.009 87 HD13 LEU 13 3HD1 LEU 13 20.117 -8.990 -5.294 88 HD21 LEU 13 3HD2 LEU 13 19.610 -11.155 -7.313 89 HD22 LEU 13 1HD2 LEU 13 18.089 -11.705 -6.638 90 HD23 LEU 13 2HD2 LEU 13 19.393 -11.250 -5.551 91 H TYR 14 H TYR 14 16.070 -8.061 -8.190 92 HA TYR 14 HA TYR 14 17.614 -5.649 -8.135 93 HB2 TYR 14 1HB TYR 14 17.154 -6.898 -10.199 94 HB3 TYR 14 2HB TYR 14 15.411 -6.560 -10.056 95 HD1 TYR 14 HD1 TYR 14 18.755 -4.893 -10.443 96 HD2 TYR 14 HD2 TYR 14 14.515 -4.631 -11.011 97 HE1 TYR 14 HE1 TYR 14 19.132 -2.872 -11.748 98 HE2 TYR 14 HE2 TYR 14 14.855 -2.551 -12.374 99 HH TYR 14 HH TYR 14 18.224 -1.236 -13.022 100 H GLN 15 H GLN 15 14.084 -6.316 -7.812 101 HA GLN 15 HA GLN 15 13.290 -3.505 -7.789 102 HB2 GLN 15 1HB GLN 15 12.098 -5.925 -8.255 103 HB3 GLN 15 2HB GLN 15 11.525 -5.618 -6.628 104 HG2 GLN 15 1HG GLN 15 9.867 -4.786 -8.095 105 HG3 GLN 15 2HG GLN 15 10.723 -3.317 -7.530 106 HE21 GLN 15 2HE2 GLN 15 9.859 -2.237 -9.469 107 HE22 GLN 15 1HE2 GLN 15 10.672 -2.502 -10.996 108 H LEU 16 H LEU 16 13.668 -6.057 -5.331 109 HA LEU 16 HA LEU 16 13.058 -4.586 -3.015 110 HB2 LEU 16 1HB LEU 16 13.671 -7.041 -3.325 111 HB3 LEU 16 2HB LEU 16 15.316 -6.498 -3.324 112 HG LEU 16 HG LEU 16 14.889 -5.435 -1.070 113 HD11 LEU 16 1HD1 LEU 16 12.354 -7.099 -1.102 114 HD12 LEU 16 2HD1 LEU 16 12.391 -5.330 -1.242 115 HD13 LEU 16 3HD1 LEU 16 12.979 -6.148 0.216 116 HD21 LEU 16 3HD2 LEU 16 14.394 -8.440 -1.295 117 HD22 LEU 16 1HD2 LEU 16 14.966 -7.587 0.150 118 HD23 LEU 16 2HD2 LEU 16 16.001 -7.662 -1.308 119 H GLU 17 H GLU 17 16.156 -4.727 -4.777 120 HA GLU 17 HA GLU 17 17.614 -2.968 -3.031 121 HB2 GLU 17 1HB GLU 17 17.821 -3.895 -5.905 122 HB3 GLU 17 2HB GLU 17 18.873 -2.612 -5.321 123 HG2 GLU 17 1HG GLU 17 18.573 -5.324 -4.052 124 HG3 GLU 17 2HG GLU 17 19.873 -4.824 -5.181 125 HE2 GLU 17 HE2 GLU 17 19.669 -5.552 -2.393 126 H ASN 18 H ASN 18 15.108 -2.146 -5.409 127 HA ASN 18 HA ASN 18 16.037 0.570 -5.767 128 HB2 ASN 18 1HB ASN 18 14.218 -0.699 -7.125 129 HB3 ASN 18 2HB ASN 18 13.125 -0.314 -5.805 130 HD21 ASN 18 2HD2 ASN 18 14.714 0.772 -8.639 131 HD22 ASN 18 1HD2 ASN 18 14.209 2.412 -8.628 132 H TYR 19 H TYR 19 14.555 -1.128 -3.098 133 HA TYR 19 HA TYR 19 13.584 1.347 -1.765 134 HB2 TYR 19 1HB TYR 19 13.772 -1.580 -0.807 135 HB3 TYR 19 2HB TYR 19 13.103 -0.225 0.084 136 HD1 TYR 19 HD2 TYR 19 10.965 0.826 -0.700 137 HD2 TYR 19 HD1 TYR 19 12.649 -2.580 -2.631 138 HE1 TYR 19 HE2 TYR 19 8.793 0.453 -1.813 139 HE2 TYR 19 HE1 TYR 19 10.485 -3.018 -3.768 140 HH TYR 19 HH TYR 19 7.556 -0.874 -3.245 141 H CYS 20 H CYS 20 16.513 -0.295 -2.211 142 HA CYS 20 HA CYS 20 17.712 0.591 0.351 143 HB2 CYS 20 1HB CYS 20 17.714 -1.919 -0.659 144 HB3 CYS 20 2HB CYS 20 18.969 -1.270 -1.720 145 H ASN 21 H ASN 21 16.883 2.363 -1.576 146 HA ASN 21 HA ASN 21 17.430 4.157 -2.762 147 HB2 ASN 21 1HB ASN 21 18.994 4.364 -0.705 148 HB3 ASN 21 2HB ASN 21 20.276 4.120 -1.937 149 HD21 ASN 21 2HD2 ASN 21 18.435 6.362 -0.451 150 HD22 ASN 21 1HD2 ASN 21 18.482 7.610 -1.594 151 HXT ASN 21 H02 ASN 21 20.278 2.886 -4.944 152 H1 PHE 31 2H0 PHE 31 20.947 -15.658 -2.310 153 H2 PHE 31 1H0 PHE 31 20.991 -14.672 -3.636 154 HA PHE 31 HA PHE 31 19.342 -14.296 -1.301 155 HB2 PHE 31 1HB PHE 31 20.064 -12.121 -2.414 156 HB3 PHE 31 2HB PHE 31 19.470 -12.779 -3.942 157 HD1 PHE 31 HD1 PHE 31 16.960 -12.993 -4.358 158 HD2 PHE 31 HD2 PHE 31 18.606 -11.193 -0.715 159 HE1 PHE 31 HE1 PHE 31 14.738 -12.086 -3.715 160 HE2 PHE 31 HE2 PHE 31 16.424 -10.346 -0.149 161 HZ PHE 31 HZ PHE 31 14.468 -10.804 -1.611 162 H VAL 32 H VAL 32 17.644 -15.533 -1.050 163 HA VAL 32 HA VAL 32 16.853 -17.230 -3.353 164 HB VAL 32 HB VAL 32 15.499 -18.406 -1.647 165 HG11 VAL 32 1HG1 VAL 32 18.381 -18.106 -0.679 166 HG12 VAL 32 2HG1 VAL 32 17.294 -19.522 -0.501 167 HG13 VAL 32 3HG1 VAL 32 17.879 -19.036 -2.131 168 HG21 VAL 32 3HG2 VAL 32 16.694 -16.374 0.361 169 HG22 VAL 32 1HG2 VAL 32 14.999 -16.582 -0.091 170 HG23 VAL 32 2HG2 VAL 32 15.840 -17.891 0.809 171 H ASN 33 H ASN 33 14.475 -17.478 -3.745 172 HA ASN 33 HA ASN 33 13.044 -14.864 -3.228 173 HB2 ASN 33 1HB ASN 33 11.928 -15.243 -5.416 174 HB3 ASN 33 2HB ASN 33 13.699 -15.157 -5.607 175 HD21 ASN 33 2HD2 ASN 33 11.147 -16.618 -6.852 176 HD22 ASN 33 1HD2 ASN 33 11.759 -18.193 -7.178 177 H GLN 34 H GLN 34 10.874 -15.009 -2.620 178 HA GLN 34 HA GLN 34 9.443 -17.504 -2.574 179 HB2 GLN 34 1HB GLN 34 9.152 -17.709 -0.150 180 HB3 GLN 34 2HB GLN 34 10.877 -17.887 -0.536 181 HG2 GLN 34 1HG GLN 34 9.915 -15.154 0.278 182 HG3 GLN 34 2HG GLN 34 10.039 -16.410 1.506 183 HE21 GLN 34 2HE2 GLN 34 12.121 -17.186 2.082 184 HE22 GLN 34 1HE2 GLN 34 13.571 -16.422 1.507 185 H HIS 35 H HIS 35 7.285 -16.935 -1.153 186 HA HIS 35 HA HIS 35 6.456 -14.318 -2.204 187 HB2 HIS 35 1HB HIS 35 5.107 -16.325 -0.289 188 HB3 HIS 35 2HB HIS 35 4.283 -14.902 -0.938 189 HD1 HIS 35 HD1 HIS 35 4.016 -14.786 -3.684 190 HD2 HIS 35 HD2 HIS 35 4.931 -18.512 -1.914 191 HE1 HIS 35 HE1 HIS 35 3.434 -16.633 -5.378 192 HE2 HIS 35 HE2 HIS 35 3.998 -18.815 -4.347 193 H LEU 36 H LEU 36 8.092 -12.981 -1.072 194 HA LEU 36 HA LEU 36 8.148 -12.809 1.817 195 HB2 LEU 36 1HB LEU 36 8.953 -10.900 -0.361 196 HB3 LEU 36 2HB LEU 36 9.257 -10.607 1.335 197 HG LEU 36 HG LEU 36 10.435 -12.980 -0.099 198 HD11 LEU 36 1HD1 LEU 36 11.210 -10.851 -1.115 199 HD12 LEU 36 2HD1 LEU 36 12.501 -11.639 -0.163 200 HD13 LEU 36 3HD1 LEU 36 11.624 -10.246 0.518 201 HD21 LEU 36 3HD2 LEU 36 10.250 -13.219 2.343 202 HD22 LEU 36 1HD2 LEU 36 11.055 -11.662 2.580 203 HD23 LEU 36 2HD2 LEU 36 11.940 -12.997 1.825 204 H CYS 37 H CYS 37 6.564 -11.919 3.053 205 HA CYS 37 HA CYS 37 5.040 -9.545 2.133 206 HB2 CYS 37 1HB CYS 37 3.935 -12.128 1.975 207 HB3 CYS 37 2HB CYS 37 3.374 -11.512 3.548 208 H GLY 38 H GLY 38 3.878 -8.669 4.121 209 HA2 GLY 38 1HA GLY 38 3.916 -7.958 6.352 210 HA3 GLY 38 2HA GLY 38 4.129 -9.679 6.664 211 H SER 39 H SER 39 5.483 -9.757 8.299 212 HA SER 39 HA SER 39 7.705 -8.043 8.658 213 HB2 SER 39 1HB SER 39 7.845 -10.771 9.835 214 HB3 SER 39 2HB SER 39 7.829 -9.214 10.718 215 HG SER 39 HG SER 39 5.791 -9.327 10.930 216 H HIS 40 H HIS 40 7.509 -11.187 7.011 217 HA HIS 40 HA HIS 40 10.338 -11.708 7.029 218 HB2 HIS 40 1HB HIS 40 8.087 -12.503 5.186 219 HB3 HIS 40 2HB HIS 40 9.761 -12.929 4.794 220 HD1 HIS 40 HD1 HIS 40 7.744 -15.200 5.233 221 HD2 HIS 40 HD2 HIS 40 10.146 -13.566 8.310 222 HE1 HIS 40 HE1 HIS 40 8.041 -17.035 6.925 223 HE2 HIS 40 HE2 HIS 40 9.506 -16.056 8.748 224 H LEU 41 H LEU 41 8.215 -9.635 5.002 225 HA LEU 41 HA LEU 41 10.156 -9.220 2.933 226 HB2 LEU 41 1HB LEU 41 7.646 -8.760 2.958 227 HB3 LEU 41 2HB LEU 41 7.938 -7.300 3.877 228 HG LEU 41 HG LEU 41 9.021 -7.770 1.064 229 HD11 LEU 41 1HD1 LEU 41 6.500 -6.328 2.027 230 HD12 LEU 41 2HD1 LEU 41 6.539 -7.912 1.186 231 HD13 LEU 41 3HD1 LEU 41 7.074 -6.430 0.327 232 HD21 LEU 41 3HD2 LEU 41 9.209 -5.344 0.908 233 HD22 LEU 41 1HD2 LEU 41 10.212 -5.955 2.244 234 HD23 LEU 41 2HD2 LEU 41 8.655 -5.181 2.599 235 H VAL 42 H VAL 42 9.426 -7.367 5.934 236 HA VAL 42 HA VAL 42 11.267 -5.231 5.497 237 HB VAL 42 HB VAL 42 10.318 -6.492 8.107 238 HG11 VAL 42 1HG1 VAL 42 11.512 -3.799 7.502 239 HG12 VAL 42 2HG1 VAL 42 10.475 -4.057 8.913 240 HG13 VAL 42 3HG1 VAL 42 11.958 -4.979 8.754 241 HG21 VAL 42 3HG2 VAL 42 8.377 -6.033 6.751 242 HG22 VAL 42 1HG2 VAL 42 8.479 -4.783 7.984 243 HG23 VAL 42 2HG2 VAL 42 8.994 -4.432 6.314 244 H GLU 43 H GLU 43 11.414 -8.400 7.001 245 HA GLU 43 HA GLU 43 13.998 -8.078 8.209 246 HB2 GLU 43 1HB GLU 43 12.247 -9.767 8.782 247 HB3 GLU 43 2HB GLU 43 12.619 -10.637 7.334 248 HG2 GLU 43 1HG GLU 43 14.880 -11.083 8.069 249 HG3 GLU 43 2HG GLU 43 14.571 -10.088 9.513 250 HE2 GLU 43 HE2 GLU 43 15.314 -12.186 10.306 251 H ALA 44 H ALA 44 12.963 -9.663 5.159 252 HA ALA 44 HA ALA 44 15.546 -10.463 4.234 253 HB1 ALA 44 3HB ALA 44 13.318 -11.196 3.367 254 HB2 ALA 44 1HB ALA 44 13.107 -9.607 2.585 255 HB3 ALA 44 2HB ALA 44 14.442 -10.666 2.072 256 H LEU 45 H LEU 45 13.711 -7.389 3.751 257 HA LEU 45 HA LEU 45 15.596 -6.218 1.942 258 HB2 LEU 45 1HB LEU 45 13.148 -5.653 2.550 259 HB3 LEU 45 2HB LEU 45 13.794 -4.726 3.865 260 HG LEU 45 HG LEU 45 14.443 -4.211 0.910 261 HD11 LEU 45 1HD1 LEU 45 12.091 -3.981 1.251 262 HD12 LEU 45 2HD1 LEU 45 12.740 -2.325 1.314 263 HD13 LEU 45 3HD1 LEU 45 12.293 -3.161 2.829 264 HD21 LEU 45 3HD2 LEU 45 14.846 -2.552 3.439 265 HD22 LEU 45 1HD2 LEU 45 15.063 -1.930 1.762 266 HD23 LEU 45 2HD2 LEU 45 16.139 -3.200 2.381 267 H TYR 46 H TYR 46 15.286 -6.165 5.480 268 HA TYR 46 HA TYR 46 17.352 -4.230 6.025 269 HB2 TYR 46 1HB TYR 46 15.758 -4.884 7.759 270 HB3 TYR 46 2HB TYR 46 16.282 -6.567 7.694 271 HD1 TYR 46 HD2 TYR 46 18.577 -7.213 8.488 272 HD2 TYR 46 HD1 TYR 46 16.944 -3.284 9.113 273 HE1 TYR 46 HE2 TYR 46 20.253 -6.789 10.220 274 HE2 TYR 46 HE1 TYR 46 18.675 -2.881 10.933 275 HH TYR 46 HH TYR 46 21.142 -5.350 11.570 276 H LEU 47 H LEU 47 17.385 -7.820 5.778 277 HA LEU 47 HA LEU 47 20.108 -8.141 6.387 278 HB2 LEU 47 1HB LEU 47 18.191 -9.792 4.710 279 HB3 LEU 47 2HB LEU 47 19.829 -10.366 5.107 280 HG LEU 47 HG LEU 47 17.757 -9.582 7.205 281 HD11 LEU 47 1HD1 LEU 47 17.200 -11.612 5.687 282 HD12 LEU 47 2HD1 LEU 47 17.086 -11.741 7.442 283 HD13 LEU 47 3HD1 LEU 47 18.470 -12.424 6.591 284 HD21 LEU 47 3HD2 LEU 47 19.217 -10.684 8.773 285 HD22 LEU 47 1HD2 LEU 47 20.216 -9.520 7.873 286 HD23 LEU 47 2HD2 LEU 47 20.296 -11.268 7.471 287 H VAL 48 H VAL 48 18.420 -7.727 3.258 288 HA VAL 48 HA VAL 48 20.870 -8.223 1.773 289 HB VAL 48 HB VAL 48 18.588 -8.468 0.798 290 HG11 VAL 48 1HG1 VAL 48 18.741 -5.443 0.555 291 HG12 VAL 48 2HG1 VAL 48 17.519 -6.465 -0.252 292 HG13 VAL 48 3HG1 VAL 48 17.561 -6.367 1.486 293 HG21 VAL 48 3HG2 VAL 48 20.638 -8.494 -0.543 294 HG22 VAL 48 1HG2 VAL 48 19.230 -7.903 -1.452 295 HG23 VAL 48 2HG2 VAL 48 20.449 -6.763 -0.827 296 H CYS 49 H CYS 49 19.439 -5.181 3.047 297 HA CYS 49 HA CYS 49 21.492 -3.506 1.774 298 HB2 CYS 49 1HB CYS 49 19.680 -2.932 4.198 299 HB3 CYS 49 2HB CYS 49 20.720 -1.780 3.383 300 H GLY 50 H GLY 50 20.972 -4.808 5.058 301 HA2 GLY 50 1HA GLY 50 22.522 -5.297 6.638 302 HA3 GLY 50 2HA GLY 50 23.855 -4.872 5.568 303 H GLU 51 H GLU 51 23.217 -2.163 4.943 304 HA GLU 51 HA GLU 51 24.397 -0.908 7.275 305 HB2 GLU 51 1HB GLU 51 23.090 0.387 4.832 306 HB3 GLU 51 2HB GLU 51 24.206 1.127 5.988 307 HG2 GLU 51 1HG GLU 51 25.009 -1.203 4.204 308 HG3 GLU 51 2HG GLU 51 25.226 0.479 3.744 309 HE2 GLU 51 HE2 GLU 51 28.224 -0.738 5.159 310 H GLN 52 H GLN 52 22.407 -1.668 8.733 311 HA GLN 52 HA GLN 52 20.694 -0.961 10.136 312 HB2 GLN 52 1HB GLN 52 21.584 1.827 9.280 313 HB3 GLN 52 2HB GLN 52 20.695 1.405 10.760 314 HG2 GLN 52 1HG GLN 52 22.572 -0.045 11.388 315 HG3 GLN 52 2HG GLN 52 23.499 0.643 10.078 316 HE21 GLN 52 2HE2 GLN 52 24.629 2.500 10.439 317 HE22 GLN 52 1HE2 GLN 52 24.377 3.550 11.865 318 H GLY 53 H GLY 53 19.659 -1.785 7.776 319 HA2 GLY 53 1HA GLY 53 18.296 0.049 6.200 320 HA3 GLY 53 2HA GLY 53 17.791 -1.635 6.433 321 H PHE 54 H PHE 54 17.201 -1.076 9.309 322 HA PHE 54 HA PHE 54 14.851 0.780 9.163 323 HB2 PHE 54 1HB PHE 54 14.658 -2.200 9.930 324 HB3 PHE 54 2HB PHE 54 13.399 -0.998 10.256 325 HD1 PHE 54 HD1 PHE 54 12.132 0.149 8.485 326 HD2 PHE 54 HD2 PHE 54 14.835 -3.086 7.666 327 HE1 PHE 54 HE1 PHE 54 11.083 -0.226 6.195 328 HE2 PHE 54 HE2 PHE 54 13.819 -3.413 5.464 329 HZ PHE 54 HZ PHE 54 11.961 -2.000 4.675 330 H PHE 55 H PHE 55 14.090 -0.711 11.827 331 HA PHE 55 HA PHE 55 15.327 0.995 13.703 332 HB2 PHE 55 1HB PHE 55 13.323 -0.303 14.176 333 HB3 PHE 55 2HB PHE 55 14.215 -1.823 13.993 334 HD1 PHE 55 HD1 PHE 55 14.004 1.325 16.028 335 HD2 PHE 55 HD2 PHE 55 15.296 -2.814 15.880 336 HE1 PHE 55 HE1 PHE 55 14.496 1.393 18.494 337 HE2 PHE 55 HE2 PHE 55 15.854 -2.741 18.306 338 HZ PHE 55 HZ PHE 55 15.377 -0.587 19.614 339 H TYR 56 H TYR 56 17.356 1.045 14.545 340 HA TYR 56 HA TYR 56 18.801 -1.547 14.802 341 HB2 TYR 56 1HB TYR 56 19.473 -0.413 12.634 342 HB3 TYR 56 2HB TYR 56 20.054 0.980 13.560 343 HD1 TYR 56 HD2 TYR 56 20.654 -2.527 12.650 344 HD2 TYR 56 HD1 TYR 56 22.035 0.792 15.007 345 HE1 TYR 56 HE2 TYR 56 22.861 -3.647 12.861 346 HE2 TYR 56 HE1 TYR 56 24.248 -0.341 15.325 347 HH TYR 56 HH TYR 56 25.475 -2.147 14.813 348 H THR 57 H THR 57 19.685 -1.801 16.680 349 HA THR 57 HA THR 57 20.701 0.568 18.180 350 HB THR 57 HB THR 57 19.939 -0.792 20.315 351 HG1 THR 57 HG1 THR 57 17.779 -1.671 19.693 352 HG21 THR 57 1HG2 THR 57 17.814 0.645 18.655 353 HG22 THR 57 2HG2 THR 57 19.094 1.477 19.647 354 HG23 THR 57 3HG2 THR 57 17.860 0.461 20.414 355 HA PRO 58 HA PRO 58 24.085 -2.056 18.338 356 HB2 PRO 58 1HB PRO 58 25.581 -1.315 20.468 357 HB3 PRO 58 2HB PRO 58 25.320 -0.204 19.040 358 HG2 PRO 58 1HG PRO 58 23.819 -0.223 21.702 359 HG3 PRO 58 2HG PRO 58 24.602 1.132 20.812 360 HD2 PRO 58 1HD PRO 58 21.918 0.624 20.537 361 HD3 PRO 58 2HD PRO 58 22.990 1.266 19.188 362 H LYS 59 H LYS 59 24.974 -3.891 19.366 363 HA LYS 59 HA LYS 59 23.521 -4.916 21.782 364 HB2 LYS 59 1HB LYS 59 23.146 -5.896 19.208 365 HB3 LYS 59 2HB LYS 59 24.135 -7.115 19.998 366 HG2 LYS 59 1HG LYS 59 22.488 -7.273 21.778 367 HG3 LYS 59 2HG LYS 59 21.525 -5.999 21.018 368 HD2 LYS 59 1HD LYS 59 21.441 -7.384 18.979 369 HD3 LYS 59 2HD LYS 59 22.294 -8.685 19.852 370 HE2 LYS 59 1HE LYS 59 20.434 -8.918 21.416 371 HE3 LYS 59 2HE LYS 59 19.637 -7.460 20.727 372 HZ1 LYS 59 3HZ LYS 59 19.269 -8.542 18.728 373 HZ2 LYS 59 1HZ LYS 59 18.808 -9.630 19.868 374 HZ3 LYS 59 2HZ LYS 59 20.186 -9.842 19.021 375 H THR 60 H THR 60 26.332 -5.148 19.658 376 HA THR 60 HA THR 60 27.896 -6.280 21.847 377 HB THR 60 HB THR 60 29.344 -7.279 19.996 378 HG1 THR 60 HG1 THR 60 28.715 -5.998 18.246 379 HG21 THR 60 1HG2 THR 60 27.822 -9.135 19.488 380 HG22 THR 60 2HG2 THR 60 26.432 -8.095 19.795 381 HG23 THR 60 3HG2 THR 60 27.450 -8.617 21.126 382 HXT THR 60 H02 THR 60 28.804 -4.843 22.615 Start of MODEL 19 1 H1 GLY 1 2H0 GLY 1 4.443 1.328 -3.843 2 H2 GLY 1 1H0 GLY 1 3.506 0.573 -4.971 3 HA2 GLY 1 1HA GLY 1 2.988 0.621 -2.009 4 HA3 GLY 1 2HA GLY 1 1.953 -0.203 -3.217 5 H ILE 2 H ILE 2 5.152 0.043 -1.886 6 HA ILE 2 HA ILE 2 6.296 -2.261 -2.955 7 HB ILE 2 HB ILE 2 7.632 -0.674 -1.704 8 HG12 ILE 2 1HG1 ILE 2 7.553 -3.213 -0.041 9 HG13 ILE 2 2HG1 ILE 2 8.306 -3.041 -1.639 10 HG21 ILE 2 1HG2 ILE 2 6.161 -1.379 0.936 11 HG22 ILE 2 2HG2 ILE 2 7.345 -0.019 0.653 12 HG23 ILE 2 3HG2 ILE 2 5.676 0.057 -0.092 13 HD11 ILE 2 3HD1 ILE 2 9.707 -1.159 -0.614 14 HD12 ILE 2 1HD1 ILE 2 9.018 -1.602 0.966 15 HD13 ILE 2 2HD1 ILE 2 10.022 -2.755 0.080 16 H VAL 3 H VAL 3 4.138 -2.113 -0.116 17 HA VAL 3 HA VAL 3 4.599 -4.803 0.712 18 HB VAL 3 HB VAL 3 2.127 -3.143 1.216 19 HG11 VAL 3 1HG1 VAL 3 3.312 -5.496 2.787 20 HG12 VAL 3 2HG1 VAL 3 1.833 -4.560 3.170 21 HG13 VAL 3 3HG1 VAL 3 1.883 -5.583 1.692 22 HG21 VAL 3 3HG2 VAL 3 4.798 -3.286 2.725 23 HG22 VAL 3 1HG2 VAL 3 3.953 -1.841 2.046 24 HG23 VAL 3 2HG2 VAL 3 3.275 -2.683 3.457 25 H GLU 4 H GLU 4 1.649 -3.460 -1.001 26 HA GLU 4 HA GLU 4 0.662 -6.079 -1.444 27 HB2 GLU 4 1HB GLU 4 -0.870 -5.145 -3.137 28 HB3 GLU 4 2HB GLU 4 -0.885 -4.163 -1.691 29 HG2 GLU 4 1HG GLU 4 0.665 -2.492 -2.886 30 HG3 GLU 4 2HG GLU 4 0.476 -3.468 -4.333 31 HE2 GLU 4 HE2 GLU 4 -0.317 -1.337 -4.867 32 H GLN 5 H GLN 5 3.058 -4.268 -3.104 33 HA GLN 5 HA GLN 5 2.952 -5.867 -5.544 34 HB2 GLN 5 1HB GLN 5 3.971 -3.557 -5.320 35 HB3 GLN 5 2HB GLN 5 5.297 -4.319 -4.383 36 HG2 GLN 5 1HG GLN 5 5.878 -5.677 -6.217 37 HG3 GLN 5 2HG GLN 5 4.539 -5.057 -7.213 38 HE21 GLN 5 2HE2 GLN 5 7.062 -4.751 -8.223 39 HE22 GLN 5 1HE2 GLN 5 7.537 -3.072 -8.129 40 H CYS 6 H CYS 6 5.216 -5.924 -2.656 41 HA CYS 6 HA CYS 6 6.341 -8.380 -3.720 42 HB2 CYS 6 1HB CYS 6 6.477 -7.098 -0.979 43 HB3 CYS 6 2HB CYS 6 7.432 -8.537 -1.460 44 H CYS 7 H CYS 7 3.471 -7.843 -1.849 45 HA CYS 7 HA CYS 7 3.382 -10.510 -0.669 46 HB2 CYS 7 1HB CYS 7 1.117 -8.624 -1.331 47 HB3 CYS 7 2HB CYS 7 0.954 -10.071 -0.348 48 H THR 8 H THR 8 2.654 -9.218 -3.868 49 HA THR 8 HA THR 8 1.175 -11.704 -4.468 50 HB THR 8 HB THR 8 0.217 -10.353 -6.313 51 HG1 THR 8 HG1 THR 8 1.136 -8.045 -5.023 52 HG21 THR 8 1HG2 THR 8 -0.861 -10.658 -4.046 53 HG22 THR 8 2HG2 THR 8 -1.326 -9.124 -4.860 54 HG23 THR 8 3HG2 THR 8 -0.119 -9.075 -3.515 55 H SER 9 H SER 9 3.811 -9.581 -5.549 56 HA SER 9 HA SER 9 4.434 -11.583 -7.707 57 HB2 SER 9 1HB SER 9 5.478 -8.717 -7.294 58 HB3 SER 9 2HB SER 9 5.919 -9.832 -8.620 59 HG SER 9 HG SER 9 3.325 -8.802 -7.947 60 H ILE 10 H ILE 10 6.884 -11.969 -7.949 61 HA ILE 10 HA ILE 10 8.141 -12.372 -5.332 62 HB ILE 10 HB ILE 10 9.073 -13.197 -8.156 63 HG12 ILE 10 1HG1 ILE 10 6.938 -14.304 -7.414 64 HG13 ILE 10 2HG1 ILE 10 8.299 -15.393 -7.800 65 HG21 ILE 10 1HG2 ILE 10 10.132 -13.785 -5.364 66 HG22 ILE 10 2HG2 ILE 10 10.567 -14.771 -6.768 67 HG23 ILE 10 3HG2 ILE 10 10.983 -13.051 -6.712 68 HD11 ILE 10 3HD1 ILE 10 7.463 -14.652 -4.964 69 HD12 ILE 10 1HD1 ILE 10 7.050 -16.151 -5.796 70 HD13 ILE 10 2HD1 ILE 10 8.744 -15.767 -5.400 71 H CYS 11 H CYS 11 8.931 -10.479 -4.677 72 HA CYS 11 HA CYS 11 9.962 -8.417 -6.495 73 HB2 CYS 11 1HB CYS 11 9.990 -8.727 -3.497 74 HB3 CYS 11 2HB CYS 11 10.810 -7.456 -4.380 75 H SER 12 H SER 12 11.772 -8.642 -7.480 76 HA SER 12 HA SER 12 13.873 -10.596 -6.767 77 HB2 SER 12 1HB SER 12 13.710 -10.039 -9.085 78 HB3 SER 12 2HB SER 12 13.706 -8.286 -8.770 79 HG SER 12 HG SER 12 15.751 -9.414 -9.466 80 H LEU 13 H LEU 13 15.965 -10.004 -5.966 81 HA LEU 13 HA LEU 13 15.736 -8.163 -3.794 82 HB2 LEU 13 1HB LEU 13 18.133 -9.456 -5.009 83 HB3 LEU 13 2HB LEU 13 18.154 -8.456 -3.582 84 HG LEU 13 HG LEU 13 16.678 -11.081 -3.695 85 HD11 LEU 13 1HD1 LEU 13 19.089 -11.314 -3.869 86 HD12 LEU 13 2HD1 LEU 13 18.456 -11.935 -2.309 87 HD13 LEU 13 3HD1 LEU 13 19.315 -10.364 -2.375 88 HD21 LEU 13 3HD2 LEU 13 16.742 -10.663 -1.101 89 HD22 LEU 13 1HD2 LEU 13 15.490 -9.870 -2.093 90 HD23 LEU 13 2HD2 LEU 13 16.939 -8.911 -1.571 91 H TYR 14 H TYR 14 16.873 -7.988 -7.084 92 HA TYR 14 HA TYR 14 18.443 -5.591 -6.991 93 HB2 TYR 14 1HB TYR 14 18.172 -7.291 -8.909 94 HB3 TYR 14 2HB TYR 14 16.617 -6.563 -9.269 95 HD1 TYR 14 HD2 TYR 14 20.325 -5.958 -9.143 96 HD2 TYR 14 HD1 TYR 14 16.524 -4.459 -10.557 97 HE1 TYR 14 HE2 TYR 14 21.491 -4.214 -10.512 98 HE2 TYR 14 HE1 TYR 14 17.726 -2.720 -11.884 99 HH TYR 14 HH TYR 14 19.735 -1.949 -12.588 100 H GLN 15 H GLN 15 14.888 -6.154 -7.493 101 HA GLN 15 HA GLN 15 14.360 -3.297 -7.666 102 HB2 GLN 15 1HB GLN 15 12.972 -5.035 -8.750 103 HB3 GLN 15 2HB GLN 15 12.496 -5.633 -7.180 104 HG2 GLN 15 1HG GLN 15 11.402 -3.557 -6.617 105 HG3 GLN 15 2HG GLN 15 11.907 -2.832 -8.138 106 HE21 GLN 15 2HE2 GLN 15 10.315 -2.814 -9.612 107 HE22 GLN 15 1HE2 GLN 15 9.142 -4.111 -9.873 108 H LEU 16 H LEU 16 14.344 -5.796 -5.086 109 HA LEU 16 HA LEU 16 13.134 -4.209 -3.115 110 HB2 LEU 16 1HB LEU 16 13.775 -6.700 -3.120 111 HB3 LEU 16 2HB LEU 16 15.335 -6.093 -2.505 112 HG LEU 16 HG LEU 16 14.264 -5.116 -0.557 113 HD11 LEU 16 1HD1 LEU 16 11.786 -6.531 -1.625 114 HD12 LEU 16 2HD1 LEU 16 11.959 -4.791 -1.296 115 HD13 LEU 16 3HD1 LEU 16 11.973 -5.934 0.034 116 HD21 LEU 16 3HD2 LEU 16 13.690 -8.072 -0.887 117 HD22 LEU 16 1HD2 LEU 16 13.916 -7.227 0.636 118 HD23 LEU 16 2HD2 LEU 16 15.265 -7.405 -0.531 119 H GLU 17 H GLU 17 16.499 -4.369 -4.180 120 HA GLU 17 HA GLU 17 17.558 -2.564 -2.254 121 HB2 GLU 17 1HB GLU 17 18.281 -3.246 -5.126 122 HB3 GLU 17 2HB GLU 17 19.147 -1.975 -4.290 123 HG2 GLU 17 1HG GLU 17 18.935 -4.867 -3.310 124 HG3 GLU 17 2HG GLU 17 20.313 -4.183 -4.161 125 HE2 GLU 17 HE2 GLU 17 21.113 -2.299 -3.209 126 H ASN 18 H ASN 18 15.394 -1.909 -4.956 127 HA ASN 18 HA ASN 18 16.349 0.809 -5.338 128 HB2 ASN 18 1HB ASN 18 15.139 -0.631 -7.024 129 HB3 ASN 18 2HB ASN 18 13.674 -0.347 -6.120 130 HD21 ASN 18 2HD2 ASN 18 16.025 1.121 -8.214 131 HD22 ASN 18 1HD2 ASN 18 15.096 2.582 -8.484 132 H TYR 19 H TYR 19 14.202 -0.793 -3.133 133 HA TYR 19 HA TYR 19 12.842 1.685 -2.216 134 HB2 TYR 19 1HB TYR 19 13.112 -1.113 -0.936 135 HB3 TYR 19 2HB TYR 19 11.972 0.170 -0.496 136 HD1 TYR 19 HD1 TYR 19 10.652 1.123 -2.817 137 HD2 TYR 19 HD2 TYR 19 12.129 -2.822 -2.017 138 HE1 TYR 19 HE1 TYR 19 8.979 0.113 -4.425 139 HE2 TYR 19 HE2 TYR 19 10.571 -3.783 -3.874 140 HH TYR 19 HH TYR 19 8.225 -1.681 -5.507 141 H CYS 20 H CYS 20 16.009 0.491 -2.013 142 HA CYS 20 HA CYS 20 16.372 1.646 0.766 143 HB2 CYS 20 1HB CYS 20 16.902 -0.848 0.310 144 HB3 CYS 20 2HB CYS 20 18.246 -0.297 -0.697 145 H ASN 21 H ASN 21 16.201 3.252 -1.531 146 HA ASN 21 HA ASN 21 19.006 3.986 -2.147 147 HB2 ASN 21 1HB ASN 21 17.726 3.103 -4.093 148 HB3 ASN 21 2HB ASN 21 16.561 4.362 -3.866 149 HD21 ASN 21 2HD2 ASN 21 19.799 3.522 -4.818 150 HD22 ASN 21 1HD2 ASN 21 20.210 5.075 -5.509 151 HXT ASN 21 H02 ASN 21 18.405 7.196 -1.368 152 H1 PHE 31 2H0 PHE 31 20.054 -17.663 -0.249 153 H2 PHE 31 1H0 PHE 31 20.325 -16.593 -1.397 154 HA PHE 31 HA PHE 31 18.221 -16.248 0.675 155 HB2 PHE 31 1HB PHE 31 19.487 -14.279 -0.508 156 HB3 PHE 31 2HB PHE 31 18.721 -14.846 -1.995 157 HD1 PHE 31 HD2 PHE 31 17.892 -13.313 1.357 158 HD2 PHE 31 HD1 PHE 31 16.434 -14.528 -2.604 159 HE1 PHE 31 HE2 PHE 31 15.881 -11.946 1.586 160 HE2 PHE 31 HE1 PHE 31 14.426 -13.216 -2.225 161 HZ PHE 31 HZ PHE 31 14.164 -11.931 -0.171 162 H VAL 32 H VAL 32 16.217 -16.798 0.414 163 HA VAL 32 HA VAL 32 15.812 -18.662 -1.888 164 HB VAL 32 HB VAL 32 13.796 -19.525 -0.711 165 HG11 VAL 32 1HG1 VAL 32 15.091 -20.693 1.069 166 HG12 VAL 32 2HG1 VAL 32 16.104 -20.477 -0.378 167 HG13 VAL 32 3HG1 VAL 32 16.338 -19.421 1.036 168 HG21 VAL 32 3HG2 VAL 32 13.055 -17.551 0.540 169 HG22 VAL 32 1HG2 VAL 32 13.465 -18.803 1.712 170 HG23 VAL 32 2HG2 VAL 32 14.611 -17.425 1.411 171 H ASN 33 H ASN 33 14.091 -18.484 -3.395 172 HA ASN 33 HA ASN 33 13.157 -15.709 -3.553 173 HB2 ASN 33 1HB ASN 33 13.045 -17.948 -5.513 174 HB3 ASN 33 2HB ASN 33 12.391 -16.367 -5.837 175 HD21 ASN 33 2HD2 ASN 33 14.464 -17.737 -7.291 176 HD22 ASN 33 1HD2 ASN 33 15.924 -16.749 -7.126 177 H GLN 34 H GLN 34 11.370 -15.321 -2.314 178 HA GLN 34 HA GLN 34 8.955 -16.829 -3.010 179 HB2 GLN 34 1HB GLN 34 8.340 -17.320 -0.719 180 HB3 GLN 34 2HB GLN 34 9.980 -17.991 -0.984 181 HG2 GLN 34 1HG GLN 34 11.047 -16.182 0.202 182 HG3 GLN 34 2HG GLN 34 9.542 -15.279 0.317 183 HE21 GLN 34 2HE2 GLN 34 8.654 -15.271 2.193 184 HE22 GLN 34 1HE2 GLN 34 8.812 -16.508 3.422 185 H HIS 35 H HIS 35 6.991 -15.777 -1.899 186 HA HIS 35 HA HIS 35 7.071 -12.999 -2.463 187 HB2 HIS 35 1HB HIS 35 4.928 -14.651 -1.054 188 HB3 HIS 35 2HB HIS 35 4.747 -12.963 -1.569 189 HD1 HIS 35 HD1 HIS 35 5.228 -12.527 -4.273 190 HD2 HIS 35 HD2 HIS 35 4.067 -16.331 -2.943 191 HE1 HIS 35 HE1 HIS 35 4.315 -13.754 -6.291 192 HE2 HIS 35 HE2 HIS 35 3.604 -16.078 -5.539 193 H LEU 36 H LEU 36 6.860 -11.267 -1.049 194 HA LEU 36 HA LEU 36 7.601 -11.779 1.838 195 HB2 LEU 36 1HB LEU 36 8.669 -9.814 -0.234 196 HB3 LEU 36 2HB LEU 36 8.549 -9.294 1.453 197 HG LEU 36 HG LEU 36 10.395 -10.529 2.014 198 HD11 LEU 36 1HD1 LEU 36 9.846 -12.464 -0.211 199 HD12 LEU 36 2HD1 LEU 36 9.730 -12.791 1.530 200 HD13 LEU 36 3HD1 LEU 36 11.314 -12.482 0.758 201 HD21 LEU 36 3HD2 LEU 36 10.680 -9.932 -0.939 202 HD22 LEU 36 1HD2 LEU 36 12.056 -10.501 0.006 203 HD23 LEU 36 2HD2 LEU 36 11.225 -8.943 0.436 204 H CYS 37 H CYS 37 5.861 -11.200 3.093 205 HA CYS 37 HA CYS 37 4.330 -8.785 2.193 206 HB2 CYS 37 1HB CYS 37 3.342 -11.086 1.758 207 HB3 CYS 37 2HB CYS 37 3.070 -11.166 3.488 208 H GLY 38 H GLY 38 4.652 -11.004 5.056 209 HA2 GLY 38 1HA GLY 38 3.874 -8.724 6.827 210 HA3 GLY 38 2HA GLY 38 4.252 -10.425 7.290 211 H SER 39 H SER 39 5.698 -9.821 8.990 212 HA SER 39 HA SER 39 7.781 -7.982 8.906 213 HB2 SER 39 1HB SER 39 7.951 -10.711 10.194 214 HB3 SER 39 2HB SER 39 8.743 -9.168 10.611 215 HG SER 39 HG SER 39 6.922 -9.494 11.949 216 H HIS 40 H HIS 40 7.612 -11.067 7.182 217 HA HIS 40 HA HIS 40 10.393 -11.506 6.717 218 HB2 HIS 40 1HB HIS 40 7.810 -12.295 5.362 219 HB3 HIS 40 2HB HIS 40 9.316 -12.353 4.370 220 HD1 HIS 40 HD1 HIS 40 10.991 -14.182 4.681 221 HD2 HIS 40 HD2 HIS 40 7.995 -14.130 7.605 222 HE1 HIS 40 HE1 HIS 40 11.263 -16.285 6.084 223 HE2 HIS 40 HE2 HIS 40 9.421 -16.294 7.856 224 H LEU 41 H LEU 41 8.307 -9.051 5.439 225 HA LEU 41 HA LEU 41 9.720 -8.585 2.985 226 HB2 LEU 41 1HB LEU 41 7.303 -7.989 3.491 227 HB3 LEU 41 2HB LEU 41 7.930 -6.681 4.479 228 HG LEU 41 HG LEU 41 8.427 -6.987 1.484 229 HD11 LEU 41 1HD1 LEU 41 6.017 -6.648 2.094 230 HD12 LEU 41 2HD1 LEU 41 6.751 -5.433 1.051 231 HD13 LEU 41 3HD1 LEU 41 6.498 -5.064 2.764 232 HD21 LEU 41 3HD2 LEU 41 10.094 -5.510 2.474 233 HD22 LEU 41 1HD2 LEU 41 8.838 -4.619 3.423 234 HD23 LEU 41 2HD2 LEU 41 8.905 -4.447 1.642 235 H VAL 42 H VAL 42 9.545 -6.708 6.049 236 HA VAL 42 HA VAL 42 11.719 -5.068 5.429 237 HB VAL 42 HB VAL 42 9.853 -4.562 6.916 238 HG11 VAL 42 1HG1 VAL 42 10.071 -5.172 9.346 239 HG12 VAL 42 2HG1 VAL 42 9.585 -6.504 8.274 240 HG13 VAL 42 3HG1 VAL 42 11.293 -6.394 8.852 241 HG21 VAL 42 3HG2 VAL 42 11.117 -3.093 8.383 242 HG22 VAL 42 1HG2 VAL 42 12.534 -4.185 8.399 243 HG23 VAL 42 2HG2 VAL 42 12.096 -3.281 6.918 244 H GLU 43 H GLU 43 11.498 -8.255 6.948 245 HA GLU 43 HA GLU 43 14.137 -8.420 8.055 246 HB2 GLU 43 1HB GLU 43 12.233 -10.029 8.452 247 HB3 GLU 43 2HB GLU 43 12.619 -10.719 6.876 248 HG2 GLU 43 1HG GLU 43 14.853 -11.350 7.750 249 HG3 GLU 43 2HG GLU 43 14.427 -10.705 9.331 250 HE2 GLU 43 HE2 GLU 43 13.660 -13.942 10.012 251 H ALA 44 H ALA 44 12.830 -9.456 4.895 252 HA ALA 44 HA ALA 44 15.318 -10.270 3.742 253 HB1 ALA 44 3HB ALA 44 13.023 -9.019 2.213 254 HB2 ALA 44 1HB ALA 44 14.174 -10.247 1.637 255 HB3 ALA 44 2HB ALA 44 12.932 -10.708 2.836 256 H LEU 45 H LEU 45 13.570 -7.101 3.762 257 HA LEU 45 HA LEU 45 15.543 -5.818 2.165 258 HB2 LEU 45 1HB LEU 45 13.167 -5.122 3.386 259 HB3 LEU 45 2HB LEU 45 14.346 -4.171 4.315 260 HG LEU 45 HG LEU 45 14.269 -4.121 1.285 261 HD11 LEU 45 1HD1 LEU 45 12.020 -3.655 2.009 262 HD12 LEU 45 2HD1 LEU 45 12.778 -2.198 1.441 263 HD13 LEU 45 3HD1 LEU 45 12.605 -2.460 3.184 264 HD21 LEU 45 3HD2 LEU 45 16.208 -3.056 2.656 265 HD22 LEU 45 1HD2 LEU 45 14.981 -1.798 3.061 266 HD23 LEU 45 2HD2 LEU 45 15.415 -2.148 1.319 267 H TYR 46 H TYR 46 15.442 -6.416 5.617 268 HA TYR 46 HA TYR 46 17.783 -4.827 6.170 269 HB2 TYR 46 1HB TYR 46 16.516 -5.352 8.115 270 HB3 TYR 46 2HB TYR 46 16.335 -7.054 7.655 271 HD1 TYR 46 HD2 TYR 46 19.028 -4.594 8.693 272 HD2 TYR 46 HD1 TYR 46 17.837 -8.686 8.356 273 HE1 TYR 46 HE2 TYR 46 21.033 -5.268 9.985 274 HE2 TYR 46 HE1 TYR 46 19.847 -9.412 9.688 275 HH TYR 46 HH TYR 46 21.808 -8.752 10.733 276 H LEU 47 H LEU 47 17.250 -8.293 5.295 277 HA LEU 47 HA LEU 47 20.011 -9.062 5.750 278 HB2 LEU 47 1HB LEU 47 17.821 -10.226 4.038 279 HB3 LEU 47 2HB LEU 47 19.405 -10.981 4.123 280 HG LEU 47 HG LEU 47 17.549 -10.552 6.494 281 HD11 LEU 47 1HD1 LEU 47 18.149 -13.266 5.169 282 HD12 LEU 47 2HD1 LEU 47 16.770 -12.273 4.668 283 HD13 LEU 47 3HD1 LEU 47 16.882 -12.867 6.347 284 HD21 LEU 47 3HD2 LEU 47 18.991 -12.215 7.639 285 HD22 LEU 47 1HD2 LEU 47 19.782 -10.668 7.250 286 HD23 LEU 47 2HD2 LEU 47 20.091 -12.112 6.264 287 H VAL 48 H VAL 48 18.360 -7.804 2.824 288 HA VAL 48 HA VAL 48 20.878 -8.187 1.303 289 HB VAL 48 HB VAL 48 18.553 -8.545 0.386 290 HG11 VAL 48 1HG1 VAL 48 18.282 -5.506 0.186 291 HG12 VAL 48 2HG1 VAL 48 17.104 -6.772 -0.107 292 HG13 VAL 48 3HG1 VAL 48 17.593 -6.480 1.548 293 HG21 VAL 48 3HG2 VAL 48 18.939 -7.210 -1.774 294 HG22 VAL 48 1HG2 VAL 48 20.415 -6.558 -1.018 295 HG23 VAL 48 2HG2 VAL 48 20.231 -8.338 -1.266 296 H CYS 49 H CYS 49 19.226 -5.323 2.872 297 HA CYS 49 HA CYS 49 21.486 -3.631 1.829 298 HB2 CYS 49 1HB CYS 49 19.011 -3.279 1.091 299 HB3 CYS 49 2HB CYS 49 18.768 -2.639 2.731 300 H GLY 50 H GLY 50 20.031 -4.817 4.778 301 HA2 GLY 50 1HA GLY 50 20.434 -2.333 6.255 302 HA3 GLY 50 2HA GLY 50 20.009 -3.903 6.927 303 H GLU 51 H GLU 51 22.904 -2.600 5.297 304 HA GLU 51 HA GLU 51 24.779 -4.068 6.797 305 HB2 GLU 51 1HB GLU 51 25.053 -1.287 5.527 306 HB3 GLU 51 2HB GLU 51 26.414 -2.289 6.030 307 HG2 GLU 51 1HG GLU 51 25.584 -4.114 4.519 308 HG3 GLU 51 2HG GLU 51 24.353 -3.004 3.901 309 HE2 GLU 51 HE2 GLU 51 27.606 -2.984 2.008 310 H GLN 52 H GLN 52 23.425 -0.834 7.380 311 HA GLN 52 HA GLN 52 24.884 -0.587 9.933 312 HB2 GLN 52 1HB GLN 52 22.928 1.147 8.383 313 HB3 GLN 52 2HB GLN 52 23.559 1.646 9.944 314 HG2 GLN 52 1HG GLN 52 25.200 1.121 7.437 315 HG3 GLN 52 2HG GLN 52 24.803 2.669 8.115 316 HE21 GLN 52 2HE2 GLN 52 25.660 3.257 10.279 317 HE22 GLN 52 1HE2 GLN 52 27.212 2.592 10.786 318 H GLY 53 H GLY 53 22.163 -2.183 8.922 319 HA2 GLY 53 1HA GLY 53 20.616 -3.311 10.252 320 HA3 GLY 53 2HA GLY 53 21.084 -2.334 11.664 321 H PHE 54 H PHE 54 18.407 -3.087 10.565 322 HA PHE 54 HA PHE 54 17.319 -0.605 9.389 323 HB2 PHE 54 1HB PHE 54 16.619 -3.319 9.688 324 HB3 PHE 54 2HB PHE 54 15.366 -2.419 10.591 325 HD1 PHE 54 HD1 PHE 54 13.974 -0.647 9.500 326 HD2 PHE 54 HD2 PHE 54 16.672 -3.231 7.326 327 HE1 PHE 54 HE1 PHE 54 12.890 -0.018 7.368 328 HE2 PHE 54 HE2 PHE 54 15.520 -2.597 5.163 329 HZ PHE 54 HZ PHE 54 13.599 -0.950 5.214 330 H PHE 55 H PHE 55 17.454 -2.084 12.633 331 HA PHE 55 HA PHE 55 16.708 0.473 13.919 332 HB2 PHE 55 1HB PHE 55 14.618 -0.817 13.359 333 HB3 PHE 55 2HB PHE 55 15.196 -2.106 14.417 334 HD1 PHE 55 HD1 PHE 55 14.392 1.647 14.393 335 HD2 PHE 55 HD2 PHE 55 14.669 -1.984 16.741 336 HE1 PHE 55 HE1 PHE 55 13.496 2.809 16.362 337 HE2 PHE 55 HE2 PHE 55 13.659 -0.776 18.638 338 HZ PHE 55 HZ PHE 55 13.012 1.635 18.452 339 H TYR 56 H TYR 56 19.127 -0.708 13.647 340 HA TYR 56 HA TYR 56 20.956 -1.465 14.730 341 HB2 TYR 56 1HB TYR 56 20.360 0.120 16.418 342 HB3 TYR 56 2HB TYR 56 19.347 -1.094 17.254 343 HD1 TYR 56 HD2 TYR 56 22.858 -0.790 15.845 344 HD2 TYR 56 HD1 TYR 56 20.405 -2.033 19.112 345 HE1 TYR 56 HE2 TYR 56 24.891 -1.711 17.029 346 HE2 TYR 56 HE1 TYR 56 22.444 -2.853 20.330 347 HH TYR 56 HH TYR 56 25.688 -2.660 18.829 348 H THR 57 H THR 57 21.681 -3.370 14.259 349 HA THR 57 HA THR 57 20.373 -5.735 15.504 350 HB THR 57 HB THR 57 20.677 -6.878 13.285 351 HG1 THR 57 HG1 THR 57 22.000 -5.450 12.209 352 HG21 THR 57 1HG2 THR 57 18.782 -4.483 13.381 353 HG22 THR 57 2HG2 THR 57 18.466 -6.095 14.073 354 HG23 THR 57 3HG2 THR 57 18.645 -5.903 12.315 355 HA PRO 58 HA PRO 58 24.914 -6.388 15.600 356 HB2 PRO 58 1HB PRO 58 25.165 -7.165 18.219 357 HB3 PRO 58 2HB PRO 58 25.179 -5.429 17.735 358 HG2 PRO 58 1HG PRO 58 22.879 -7.107 18.691 359 HG3 PRO 58 2HG PRO 58 23.402 -5.493 19.276 360 HD2 PRO 58 1HD PRO 58 21.406 -5.687 17.583 361 HD3 PRO 58 2HD PRO 58 22.603 -4.379 17.420 362 H LYS 59 H LYS 59 25.902 -8.401 15.483 363 HA LYS 59 HA LYS 59 24.418 -10.864 16.330 364 HB2 LYS 59 1HB LYS 59 23.669 -10.233 13.991 365 HB3 LYS 59 2HB LYS 59 25.314 -10.512 13.415 366 HG2 LYS 59 1HG LYS 59 25.153 -12.849 14.240 367 HG3 LYS 59 2HG LYS 59 23.521 -12.498 14.857 368 HD2 LYS 59 1HD LYS 59 22.750 -12.078 12.559 369 HD3 LYS 59 2HD LYS 59 24.379 -12.426 11.948 370 HE2 LYS 59 1HE LYS 59 24.284 -14.679 12.918 371 HE3 LYS 59 2HE LYS 59 22.657 -14.355 13.563 372 HZ1 LYS 59 3HZ LYS 59 23.381 -14.553 10.699 373 HZ2 LYS 59 1HZ LYS 59 21.916 -14.067 11.290 374 HZ3 LYS 59 2HZ LYS 59 22.404 -15.599 11.558 375 H THR 60 H THR 60 25.954 -12.051 17.312 376 HA THR 60 HA THR 60 28.813 -11.579 17.053 377 HB THR 60 HB THR 60 28.163 -14.189 18.158 378 HG1 THR 60 HG1 THR 60 26.842 -12.219 19.549 379 HG21 THR 60 1HG2 THR 60 29.015 -11.553 19.470 380 HG22 THR 60 2HG2 THR 60 30.050 -12.824 18.973 381 HG23 THR 60 3HG2 THR 60 28.969 -13.056 20.304 382 HXT THR 60 H02 THR 60 29.803 -13.479 14.518 Start of MODEL 20 1 H1 GLY 1 2H0 GLY 1 3.239 1.160 -2.892 2 H2 GLY 1 1H0 GLY 1 2.130 0.815 -1.797 3 HA2 GLY 1 1HA GLY 1 4.702 1.668 -0.839 4 HA3 GLY 1 2HA GLY 1 3.389 1.004 0.087 5 H ILE 2 H ILE 2 6.051 0.242 0.139 6 HA ILE 2 HA ILE 2 6.678 -1.847 -1.626 7 HB ILE 2 HB ILE 2 8.349 -0.722 -0.234 8 HG12 ILE 2 1HG1 ILE 2 8.391 -3.734 0.077 9 HG13 ILE 2 2HG1 ILE 2 8.695 -2.890 -1.415 10 HG21 ILE 2 1HG2 ILE 2 6.935 -0.844 1.958 11 HG22 ILE 2 2HG2 ILE 2 7.526 -2.478 2.132 12 HG23 ILE 2 3HG2 ILE 2 8.691 -1.147 2.098 13 HD11 ILE 2 3HD1 ILE 2 10.882 -3.329 -0.493 14 HD12 ILE 2 1HD1 ILE 2 10.581 -1.612 -0.114 15 HD13 ILE 2 2HD1 ILE 2 10.354 -2.874 1.149 16 H VAL 3 H VAL 3 4.719 -1.978 1.329 17 HA VAL 3 HA VAL 3 4.748 -4.811 1.479 18 HB VAL 3 HB VAL 3 2.616 -2.912 2.413 19 HG11 VAL 3 1HG1 VAL 3 1.881 -4.790 3.839 20 HG12 VAL 3 2HG1 VAL 3 1.592 -5.027 2.093 21 HG13 VAL 3 3HG1 VAL 3 2.944 -5.872 2.868 22 HG21 VAL 3 3HG2 VAL 3 4.899 -2.731 3.483 23 HG22 VAL 3 1HG2 VAL 3 3.578 -3.102 4.589 24 HG23 VAL 3 2HG2 VAL 3 4.668 -4.397 4.062 25 H GLU 4 H GLU 4 2.486 -2.579 -0.117 26 HA GLU 4 HA GLU 4 0.731 -4.624 -1.138 27 HB2 GLU 4 1HB GLU 4 1.344 -1.739 -2.071 28 HB3 GLU 4 2HB GLU 4 0.040 -2.749 -2.735 29 HG2 GLU 4 1HG GLU 4 -0.996 -2.896 -0.537 30 HG3 GLU 4 2HG GLU 4 0.268 -1.877 0.157 31 HE2 GLU 4 HE2 GLU 4 -2.766 -0.304 -1.616 32 H GLN 5 H GLN 5 3.708 -3.004 -2.309 33 HA GLN 5 HA GLN 5 3.561 -4.162 -4.894 34 HB2 GLN 5 1HB GLN 5 4.977 -2.186 -3.955 35 HB3 GLN 5 2HB GLN 5 6.189 -3.401 -3.645 36 HG2 GLN 5 1HG GLN 5 6.595 -2.399 -5.777 37 HG3 GLN 5 2HG GLN 5 6.120 -4.082 -6.078 38 HE21 GLN 5 2HE2 GLN 5 4.874 -4.187 -7.851 39 HE22 GLN 5 1HE2 GLN 5 3.625 -3.047 -8.275 40 H CYS 6 H CYS 6 5.068 -5.451 -1.921 41 HA CYS 6 HA CYS 6 6.166 -7.665 -3.618 42 HB2 CYS 6 1HB CYS 6 7.248 -6.243 -1.444 43 HB3 CYS 6 2HB CYS 6 7.001 -7.923 -0.900 44 H CYS 7 H CYS 7 3.644 -7.179 -1.251 45 HA CYS 7 HA CYS 7 3.373 -9.965 -0.511 46 HB2 CYS 7 1HB CYS 7 2.176 -7.705 0.446 47 HB3 CYS 7 2HB CYS 7 0.947 -8.160 -0.681 48 H THR 8 H THR 8 2.641 -8.117 -3.347 49 HA THR 8 HA THR 8 0.914 -10.261 -4.511 50 HB THR 8 HB THR 8 0.182 -8.647 -6.295 51 HG1 THR 8 HG1 THR 8 1.545 -6.567 -4.830 52 HG21 THR 8 1HG2 THR 8 -1.286 -8.683 -4.391 53 HG22 THR 8 2HG2 THR 8 -1.069 -6.990 -4.877 54 HG23 THR 8 3HG2 THR 8 -0.219 -7.628 -3.472 55 H SER 9 H SER 9 1.611 -11.053 -6.597 56 HA SER 9 HA SER 9 3.132 -11.877 -8.114 57 HB2 SER 9 1HB SER 9 4.408 -9.143 -7.841 58 HB3 SER 9 2HB SER 9 4.675 -10.338 -9.143 59 HG SER 9 HG SER 9 2.599 -9.935 -9.851 60 H ILE 10 H ILE 10 5.745 -11.986 -8.619 61 HA ILE 10 HA ILE 10 6.847 -13.099 -6.068 62 HB ILE 10 HB ILE 10 7.791 -13.454 -8.942 63 HG12 ILE 10 1HG1 ILE 10 5.656 -14.657 -8.499 64 HG13 ILE 10 2HG1 ILE 10 6.964 -15.759 -8.829 65 HG21 ILE 10 1HG2 ILE 10 9.667 -13.566 -7.341 66 HG22 ILE 10 2HG2 ILE 10 8.798 -14.831 -6.415 67 HG23 ILE 10 3HG2 ILE 10 9.318 -15.139 -8.105 68 HD11 ILE 10 3HD1 ILE 10 5.445 -16.491 -6.965 69 HD12 ILE 10 1HD1 ILE 10 7.164 -16.396 -6.498 70 HD13 ILE 10 2HD1 ILE 10 6.059 -15.101 -5.989 71 H CYS 11 H CYS 11 8.457 -12.068 -5.020 72 HA CYS 11 HA CYS 11 9.266 -9.426 -5.938 73 HB2 CYS 11 1HB CYS 11 10.232 -11.154 -3.639 74 HB3 CYS 11 2HB CYS 11 10.643 -9.451 -3.792 75 H SER 12 H SER 12 11.453 -8.793 -6.605 76 HA SER 12 HA SER 12 13.314 -10.994 -7.228 77 HB2 SER 12 1HB SER 12 13.984 -9.264 -9.118 78 HB3 SER 12 2HB SER 12 12.575 -10.278 -9.322 79 HG SER 12 HG SER 12 11.304 -8.624 -9.248 80 H LEU 13 H LEU 13 15.355 -10.646 -6.446 81 HA LEU 13 HA LEU 13 15.653 -8.764 -4.382 82 HB2 LEU 13 1HB LEU 13 17.894 -9.598 -4.117 83 HB3 LEU 13 2HB LEU 13 16.899 -10.932 -4.573 84 HG LEU 13 HG LEU 13 17.885 -10.172 -6.998 85 HD11 LEU 13 1HD1 LEU 13 20.248 -9.825 -6.752 86 HD12 LEU 13 2HD1 LEU 13 20.094 -9.884 -4.965 87 HD13 LEU 13 3HD1 LEU 13 19.363 -8.549 -5.911 88 HD21 LEU 13 3HD2 LEU 13 19.070 -12.154 -5.065 89 HD22 LEU 13 1HD2 LEU 13 19.304 -12.136 -6.834 90 HD23 LEU 13 2HD2 LEU 13 17.668 -12.444 -6.157 91 H TYR 14 H TYR 14 16.499 -8.619 -7.810 92 HA TYR 14 HA TYR 14 18.286 -6.500 -7.857 93 HB2 TYR 14 1HB TYR 14 17.620 -7.993 -9.740 94 HB3 TYR 14 2HB TYR 14 16.091 -7.106 -9.840 95 HD1 TYR 14 HD2 TYR 14 19.790 -6.444 -9.965 96 HD2 TYR 14 HD1 TYR 14 15.913 -5.310 -11.314 97 HE1 TYR 14 HE2 TYR 14 20.805 -4.834 -11.649 98 HE2 TYR 14 HE1 TYR 14 16.888 -3.630 -12.913 99 HH TYR 14 HH TYR 14 20.435 -3.330 -13.424 100 H GLN 15 H GLN 15 14.653 -6.378 -8.138 101 HA GLN 15 HA GLN 15 14.477 -3.479 -7.882 102 HB2 GLN 15 1HB GLN 15 12.829 -5.032 -8.852 103 HB3 GLN 15 2HB GLN 15 12.428 -5.617 -7.225 104 HG2 GLN 15 1HG GLN 15 11.680 -3.309 -6.602 105 HG3 GLN 15 2HG GLN 15 12.300 -2.757 -8.164 106 HE21 GLN 15 2HE2 GLN 15 9.956 -1.886 -8.274 107 HE22 GLN 15 1HE2 GLN 15 8.772 -2.995 -8.977 108 H LEU 16 H LEU 16 14.436 -6.158 -5.444 109 HA LEU 16 HA LEU 16 13.439 -4.515 -3.371 110 HB2 LEU 16 1HB LEU 16 13.607 -6.995 -3.336 111 HB3 LEU 16 2HB LEU 16 15.326 -6.911 -3.118 112 HG LEU 16 HG LEU 16 14.857 -5.610 -0.969 113 HD11 LEU 16 1HD1 LEU 16 12.529 -4.853 -1.312 114 HD12 LEU 16 2HD1 LEU 16 12.486 -6.029 0.022 115 HD13 LEU 16 3HD1 LEU 16 11.971 -6.550 -1.610 116 HD21 LEU 16 3HD2 LEU 16 15.356 -8.122 -1.149 117 HD22 LEU 16 1HD2 LEU 16 13.602 -8.423 -1.132 118 HD23 LEU 16 2HD2 LEU 16 14.394 -7.671 0.285 119 H GLU 17 H GLU 17 16.825 -5.207 -4.446 120 HA GLU 17 HA GLU 17 17.987 -3.736 -2.263 121 HB2 GLU 17 1HB GLU 17 18.997 -4.490 -5.047 122 HB3 GLU 17 2HB GLU 17 19.962 -3.597 -3.859 123 HG2 GLU 17 1HG GLU 17 19.792 -5.411 -2.275 124 HG3 GLU 17 2HG GLU 17 18.826 -6.339 -3.456 125 HE2 GLU 17 HE2 GLU 17 22.679 -6.227 -3.603 126 H ASN 18 H ASN 18 16.419 -2.686 -5.255 127 HA ASN 18 HA ASN 18 17.766 -0.140 -5.397 128 HB2 ASN 18 1HB ASN 18 15.890 -1.495 -6.983 129 HB3 ASN 18 2HB ASN 18 15.044 -0.044 -6.375 130 HD21 ASN 18 2HD2 ASN 18 18.271 -0.959 -7.653 131 HD22 ASN 18 1HD2 ASN 18 18.391 0.463 -8.679 132 H TYR 19 H TYR 19 15.270 -1.383 -3.236 133 HA TYR 19 HA TYR 19 14.041 1.263 -2.715 134 HB2 TYR 19 1HB TYR 19 14.108 -1.379 -1.206 135 HB3 TYR 19 2HB TYR 19 13.280 0.056 -0.614 136 HD1 TYR 19 HD2 TYR 19 11.135 0.849 -1.640 137 HD2 TYR 19 HD1 TYR 19 13.263 -2.613 -3.101 138 HE1 TYR 19 HE2 TYR 19 9.139 0.216 -3.009 139 HE2 TYR 19 HE1 TYR 19 11.250 -3.271 -4.394 140 HH TYR 19 HH TYR 19 8.234 -1.551 -4.332 141 H CYS 20 H CYS 20 17.089 -0.243 -1.945 142 HA CYS 20 HA CYS 20 17.486 1.498 0.416 143 HB2 CYS 20 1HB CYS 20 17.841 -0.905 0.839 144 HB3 CYS 20 2HB CYS 20 18.883 -1.042 -0.569 145 H ASN 21 H ASN 21 19.248 0.113 -2.344 146 HA ASN 21 HA ASN 21 21.281 2.337 -2.309 147 HB2 ASN 21 1HB ASN 21 20.960 -0.245 -4.034 148 HB3 ASN 21 2HB ASN 21 22.330 0.820 -4.139 149 HD21 ASN 21 2HD2 ASN 21 23.732 1.100 -2.178 150 HD22 ASN 21 1HD2 ASN 21 23.793 -0.197 -1.026 151 HXT ASN 21 H02 ASN 21 19.562 3.947 -4.772 152 H1 PHE 31 2H0 PHE 31 19.176 -16.156 -0.866 153 H2 PHE 31 1H0 PHE 31 19.382 -15.710 -2.484 154 HA PHE 31 HA PHE 31 17.256 -14.705 -0.658 155 HB2 PHE 31 1HB PHE 31 18.392 -12.851 -1.855 156 HB3 PHE 31 2HB PHE 31 18.214 -13.736 -3.339 157 HD1 PHE 31 HD1 PHE 31 16.504 -11.949 -0.658 158 HD2 PHE 31 HD2 PHE 31 16.148 -13.751 -4.498 159 HE1 PHE 31 HE1 PHE 31 14.363 -10.872 -0.959 160 HE2 PHE 31 HE2 PHE 31 13.942 -12.728 -4.827 161 HZ PHE 31 HZ PHE 31 13.082 -11.201 -3.026 162 H VAL 32 H VAL 32 15.217 -15.239 -1.456 163 HA VAL 32 HA VAL 32 15.084 -17.498 -3.383 164 HB VAL 32 HB VAL 32 13.189 -18.364 -1.996 165 HG11 VAL 32 1HG1 VAL 32 14.596 -19.624 -0.570 166 HG12 VAL 32 2HG1 VAL 32 15.555 -19.235 -2.001 167 HG13 VAL 32 3HG1 VAL 32 15.820 -18.341 -0.481 168 HG21 VAL 32 3HG2 VAL 32 14.349 -16.589 0.237 169 HG22 VAL 32 1HG2 VAL 32 12.854 -16.192 -0.688 170 HG23 VAL 32 2HG2 VAL 32 12.904 -17.656 0.300 171 H ASN 33 H ASN 33 13.460 -17.478 -4.785 172 HA ASN 33 HA ASN 33 12.086 -14.896 -5.221 173 HB2 ASN 33 1HB ASN 33 12.695 -17.364 -6.880 174 HB3 ASN 33 2HB ASN 33 11.248 -16.474 -7.327 175 HD21 ASN 33 2HD2 ASN 33 12.043 -15.646 -9.296 176 HD22 ASN 33 1HD2 ASN 33 13.363 -14.515 -9.367 177 H GLN 34 H GLN 34 10.544 -14.695 -3.777 178 HA GLN 34 HA GLN 34 8.131 -16.415 -4.008 179 HB2 GLN 34 1HB GLN 34 7.943 -16.765 -1.597 180 HB3 GLN 34 2HB GLN 34 9.392 -17.562 -2.197 181 HG2 GLN 34 1HG GLN 34 10.875 -15.904 -1.228 182 HG3 GLN 34 2HG GLN 34 9.510 -14.791 -0.959 183 HE21 GLN 34 2HE2 GLN 34 8.301 -14.881 0.886 184 HE22 GLN 34 1HE2 GLN 34 8.671 -16.048 2.169 185 H HIS 35 H HIS 35 6.451 -15.428 -2.467 186 HA HIS 35 HA HIS 35 6.282 -12.524 -2.931 187 HB2 HIS 35 1HB HIS 35 4.519 -14.158 -1.124 188 HB3 HIS 35 2HB HIS 35 4.102 -12.664 -1.999 189 HD1 HIS 35 HD1 HIS 35 4.393 -13.168 -4.820 190 HD2 HIS 35 HD2 HIS 35 3.270 -16.281 -2.265 191 HE1 HIS 35 HE1 HIS 35 3.203 -14.926 -6.270 192 HE2 HIS 35 HE2 HIS 35 2.559 -16.802 -4.695 193 H LEU 36 H LEU 36 6.413 -10.944 -1.291 194 HA LEU 36 HA LEU 36 7.492 -12.011 1.292 195 HB2 LEU 36 1HB LEU 36 8.493 -9.645 -0.292 196 HB3 LEU 36 2HB LEU 36 8.840 -9.905 1.386 197 HG LEU 36 HG LEU 36 9.591 -11.850 -0.784 198 HD11 LEU 36 1HD1 LEU 36 11.429 -9.852 0.570 199 HD12 LEU 36 2HD1 LEU 36 10.729 -9.654 -1.083 200 HD13 LEU 36 3HD1 LEU 36 11.834 -11.020 -0.722 201 HD21 LEU 36 3HD2 LEU 36 9.406 -12.768 1.554 202 HD22 LEU 36 1HD2 LEU 36 10.698 -11.676 2.041 203 HD23 LEU 36 2HD2 LEU 36 11.018 -12.896 0.812 204 H CYS 37 H CYS 37 6.319 -11.389 3.018 205 HA CYS 37 HA CYS 37 4.861 -8.900 3.010 206 HB2 CYS 37 1HB CYS 37 3.592 -11.047 1.904 207 HB3 CYS 37 2HB CYS 37 3.225 -11.353 3.620 208 H GLY 38 H GLY 38 3.800 -8.675 5.272 209 HA2 GLY 38 1HA GLY 38 3.899 -8.887 7.539 210 HA3 GLY 38 2HA GLY 38 4.416 -10.580 7.354 211 H SER 39 H SER 39 5.921 -10.482 8.994 212 HA SER 39 HA SER 39 7.994 -8.544 9.144 213 HB2 SER 39 1HB SER 39 8.130 -11.444 10.059 214 HB3 SER 39 2HB SER 39 9.094 -10.090 10.664 215 HG SER 39 HG SER 39 7.170 -10.650 11.954 216 H HIS 40 H HIS 40 7.818 -11.562 7.232 217 HA HIS 40 HA HIS 40 10.555 -11.841 6.820 218 HB2 HIS 40 1HB HIS 40 8.147 -13.050 5.819 219 HB3 HIS 40 2HB HIS 40 9.344 -12.894 4.498 220 HD1 HIS 40 HD1 HIS 40 11.791 -13.957 5.120 221 HD2 HIS 40 HD2 HIS 40 8.607 -15.054 7.621 222 HE1 HIS 40 HE1 HIS 40 12.551 -16.098 6.403 223 HE2 HIS 40 HE2 HIS 40 10.624 -16.759 7.923 224 H LEU 41 H LEU 41 8.179 -9.794 5.011 225 HA LEU 41 HA LEU 41 9.898 -9.006 2.875 226 HB2 LEU 41 1HB LEU 41 7.589 -8.427 2.924 227 HB3 LEU 41 2HB LEU 41 7.821 -7.430 4.360 228 HG LEU 41 HG LEU 41 8.986 -5.729 3.143 229 HD11 LEU 41 1HD1 LEU 41 10.307 -6.965 1.540 230 HD12 LEU 41 2HD1 LEU 41 9.261 -5.827 0.626 231 HD13 LEU 41 3HD1 LEU 41 8.827 -7.542 0.712 232 HD21 LEU 41 3HD2 LEU 41 7.181 -4.934 1.716 233 HD22 LEU 41 1HD2 LEU 41 6.440 -5.872 3.037 234 HD23 LEU 41 2HD2 LEU 41 6.619 -6.596 1.406 235 H VAL 42 H VAL 42 9.507 -7.478 6.174 236 HA VAL 42 HA VAL 42 11.435 -5.432 5.436 237 HB VAL 42 HB VAL 42 9.554 -5.025 7.072 238 HG11 VAL 42 1HG1 VAL 42 9.497 -7.010 8.434 239 HG12 VAL 42 2HG1 VAL 42 11.166 -6.822 8.970 240 HG13 VAL 42 3HG1 VAL 42 9.919 -5.651 9.505 241 HG21 VAL 42 3HG2 VAL 42 11.416 -3.429 7.049 242 HG22 VAL 42 1HG2 VAL 42 10.876 -3.672 8.738 243 HG23 VAL 42 2HG2 VAL 42 12.366 -4.429 8.171 244 H GLU 43 H GLU 43 11.567 -8.582 6.864 245 HA GLU 43 HA GLU 43 14.184 -8.171 7.996 246 HB2 GLU 43 1HB GLU 43 12.683 -9.945 8.812 247 HB3 GLU 43 2HB GLU 43 12.708 -10.696 7.230 248 HG2 GLU 43 1HG GLU 43 15.185 -11.095 7.496 249 HG3 GLU 43 2HG GLU 43 15.006 -10.388 9.127 250 HE2 GLU 43 HE2 GLU 43 15.923 -12.582 9.130 251 H ALA 44 H ALA 44 12.912 -9.507 4.912 252 HA ALA 44 HA ALA 44 15.533 -10.163 3.838 253 HB1 ALA 44 3HB ALA 44 13.347 -11.009 2.833 254 HB2 ALA 44 1HB ALA 44 12.940 -9.332 2.374 255 HB3 ALA 44 2HB ALA 44 14.348 -10.131 1.670 256 H LEU 45 H LEU 45 13.518 -7.213 3.762 257 HA LEU 45 HA LEU 45 15.342 -5.796 2.090 258 HB2 LEU 45 1HB LEU 45 12.949 -5.168 2.646 259 HB3 LEU 45 2HB LEU 45 13.496 -4.700 4.243 260 HG LEU 45 HG LEU 45 14.964 -2.990 3.217 261 HD11 LEU 45 1HD1 LEU 45 15.234 -3.883 0.967 262 HD12 LEU 45 2HD1 LEU 45 14.603 -2.237 0.893 263 HD13 LEU 45 3HD1 LEU 45 13.486 -3.628 0.662 264 HD21 LEU 45 3HD2 LEU 45 12.068 -2.712 2.557 265 HD22 LEU 45 1HD2 LEU 45 13.230 -1.382 2.660 266 HD23 LEU 45 2HD2 LEU 45 12.828 -2.361 4.115 267 H TYR 46 H TYR 46 15.207 -6.128 5.669 268 HA TYR 46 HA TYR 46 17.403 -4.367 6.114 269 HB2 TYR 46 1HB TYR 46 16.018 -4.975 8.017 270 HB3 TYR 46 2HB TYR 46 16.436 -6.712 7.738 271 HD1 TYR 46 HD1 TYR 46 17.979 -3.428 8.716 272 HD2 TYR 46 HD2 TYR 46 18.409 -7.705 8.700 273 HE1 TYR 46 HE1 TYR 46 19.919 -3.214 10.251 274 HE2 TYR 46 HE2 TYR 46 20.358 -7.509 10.195 275 HH TYR 46 HH TYR 46 21.754 -6.008 11.317 276 H LEU 47 H LEU 47 17.294 -7.884 5.417 277 HA LEU 47 HA LEU 47 20.105 -8.306 5.846 278 HB2 LEU 47 1HB LEU 47 18.136 -9.753 4.103 279 HB3 LEU 47 2HB LEU 47 19.831 -10.205 4.231 280 HG LEU 47 HG LEU 47 18.027 -10.114 6.630 281 HD11 LEU 47 1HD1 LEU 47 17.952 -12.642 6.446 282 HD12 LEU 47 2HD1 LEU 47 18.618 -12.503 4.825 283 HD13 LEU 47 3HD1 LEU 47 17.055 -11.769 5.183 284 HD21 LEU 47 3HD2 LEU 47 20.675 -11.472 6.241 285 HD22 LEU 47 1HD2 LEU 47 19.668 -11.594 7.674 286 HD23 LEU 47 2HD2 LEU 47 20.372 -10.042 7.187 287 H VAL 48 H VAL 48 18.303 -7.308 2.854 288 HA VAL 48 HA VAL 48 20.822 -7.346 1.453 289 HB VAL 48 HB VAL 48 19.631 -6.338 -0.392 290 HG11 VAL 48 1HG1 VAL 48 19.655 -8.808 -0.037 291 HG12 VAL 48 2HG1 VAL 48 18.049 -8.656 0.818 292 HG13 VAL 48 3HG1 VAL 48 18.208 -8.224 -0.915 293 HG21 VAL 48 3HG2 VAL 48 17.341 -5.828 -0.370 294 HG22 VAL 48 1HG2 VAL 48 17.162 -6.370 1.302 295 HG23 VAL 48 2HG2 VAL 48 18.102 -4.887 0.937 296 H CYS 49 H CYS 49 19.224 -4.897 3.279 297 HA CYS 49 HA CYS 49 20.818 -2.802 1.986 298 HB2 CYS 49 1HB CYS 49 18.369 -2.530 2.449 299 HB3 CYS 49 2HB CYS 49 18.777 -2.531 4.188 300 H GLY 50 H GLY 50 20.498 -4.223 5.362 301 HA2 GLY 50 1HA GLY 50 22.270 -4.379 6.855 302 HA3 GLY 50 2HA GLY 50 23.361 -3.510 5.726 303 H GLU 51 H GLU 51 20.709 -1.527 5.979 304 HA GLU 51 HA GLU 51 22.091 0.328 7.714 305 HB2 GLU 51 1HB GLU 51 19.906 0.310 5.854 306 HB3 GLU 51 2HB GLU 51 19.449 1.169 7.355 307 HG2 GLU 51 1HG GLU 51 20.429 2.758 5.823 308 HG3 GLU 51 2HG GLU 51 21.520 2.582 7.192 309 HE2 GLU 51 HE2 GLU 51 23.338 2.616 6.596 310 H GLN 52 H GLN 52 21.889 0.743 9.812 311 HA GLN 52 HA GLN 52 20.249 -1.126 11.369 312 HB2 GLN 52 1HB GLN 52 21.280 -0.050 13.329 313 HB3 GLN 52 2HB GLN 52 22.505 -0.466 12.129 314 HG2 GLN 52 1HG GLN 52 22.521 1.931 11.426 315 HG3 GLN 52 2HG GLN 52 21.300 2.284 12.656 316 HE21 GLN 52 2HE2 GLN 52 24.063 3.312 12.352 317 HE22 GLN 52 1HE2 GLN 52 24.843 2.951 13.919 318 H GLY 53 H GLY 53 19.722 1.961 9.956 319 HA2 GLY 53 1HA GLY 53 17.913 2.906 12.067 320 HA3 GLY 53 2HA GLY 53 18.315 3.703 10.535 321 H PHE 54 H PHE 54 16.979 0.398 10.988 322 HA PHE 54 HA PHE 54 14.932 1.000 8.952 323 HB2 PHE 54 1HB PHE 54 15.962 -1.371 10.453 324 HB3 PHE 54 2HB PHE 54 14.273 -1.411 9.996 325 HD1 PHE 54 HD1 PHE 54 17.386 -0.230 8.307 326 HD2 PHE 54 HD2 PHE 54 13.800 -2.540 8.087 327 HE1 PHE 54 HE1 PHE 54 17.885 -0.720 5.910 328 HE2 PHE 54 HE2 PHE 54 14.262 -3.148 5.735 329 HZ PHE 54 HZ PHE 54 16.313 -2.286 4.623 330 H PHE 55 H PHE 55 14.845 -0.051 12.429 331 HA PHE 55 HA PHE 55 12.307 1.574 12.705 332 HB2 PHE 55 1HB PHE 55 12.210 -1.031 12.050 333 HB3 PHE 55 2HB PHE 55 12.253 -1.185 13.802 334 HD1 PHE 55 HD2 PHE 55 10.562 0.372 10.893 335 HD2 PHE 55 HD1 PHE 55 10.348 -0.596 15.043 336 HE1 PHE 55 HE2 PHE 55 8.137 0.852 10.831 337 HE2 PHE 55 HE1 PHE 55 7.879 0.087 15.118 338 HZ PHE 55 HZ PHE 55 6.789 0.714 13.028 339 H TYR 56 H TYR 56 14.928 1.943 13.654 340 HA TYR 56 HA TYR 56 16.078 2.644 15.484 341 HB2 TYR 56 1HB TYR 56 14.032 3.753 16.098 342 HB3 TYR 56 2HB TYR 56 13.543 2.354 17.027 343 HD1 TYR 56 HD2 TYR 56 15.913 5.184 16.939 344 HD2 TYR 56 HD1 TYR 56 14.491 1.808 19.161 345 HE1 TYR 56 HE2 TYR 56 17.227 5.973 18.941 346 HE2 TYR 56 HE1 TYR 56 15.739 2.615 21.172 347 HH TYR 56 HH TYR 56 17.487 5.677 21.185 348 H THR 57 H THR 57 17.710 1.580 16.450 349 HA THR 57 HA THR 57 17.002 -0.594 18.234 350 HB THR 57 HB THR 57 17.514 -1.802 16.081 351 HG1 THR 57 HG1 THR 57 19.490 -2.204 18.099 352 HG21 THR 57 1HG2 THR 57 19.683 -1.813 15.150 353 HG22 THR 57 2HG2 THR 57 20.403 -0.968 16.518 354 HG23 THR 57 3HG2 THR 57 19.346 -0.104 15.368 355 HA PRO 58 HA PRO 58 19.969 1.790 20.449 356 HB2 PRO 58 1HB PRO 58 20.624 0.058 22.462 357 HB3 PRO 58 2HB PRO 58 19.139 1.007 22.451 358 HG2 PRO 58 1HG PRO 58 19.551 -1.881 21.719 359 HG3 PRO 58 2HG PRO 58 18.229 -1.048 22.613 360 HD2 PRO 58 1HD PRO 58 18.052 -1.781 19.960 361 HD3 PRO 58 2HD PRO 58 17.170 -0.401 20.666 362 H LYS 59 H LYS 59 22.186 1.939 20.667 363 HA LYS 59 HA LYS 59 23.666 0.729 18.658 364 HB2 LYS 59 1HB LYS 59 24.227 2.826 20.047 365 HB3 LYS 59 2HB LYS 59 24.988 1.719 21.155 366 HG2 LYS 59 1HG LYS 59 26.516 0.929 19.368 367 HG3 LYS 59 2HG LYS 59 25.622 1.896 18.183 368 HD2 LYS 59 1HD LYS 59 26.303 3.976 19.516 369 HD3 LYS 59 2HD LYS 59 27.434 2.938 20.428 370 HE2 LYS 59 1HE LYS 59 27.330 3.226 17.390 371 HE3 LYS 59 2HE LYS 59 28.339 4.262 18.391 372 HZ1 LYS 59 3HZ LYS 59 29.561 2.301 17.498 373 HZ2 LYS 59 1HZ LYS 59 28.538 1.272 18.233 374 HZ3 LYS 59 2HZ LYS 59 29.478 2.236 19.199 375 H THR 60 H THR 60 23.509 -0.264 22.091 376 HA THR 60 HA THR 60 25.233 -2.674 21.388 377 HB THR 60 HB THR 60 24.217 -2.055 24.214 378 HG1 THR 60 HG1 THR 60 26.627 -1.039 23.137 379 HG21 THR 60 1HG2 THR 60 26.738 -3.332 23.152 380 HG22 THR 60 2HG2 THR 60 25.325 -4.150 23.787 381 HG23 THR 60 3HG2 THR 60 26.329 -3.134 24.862 382 HXT THR 60 H02 THR 60 22.918 -4.905 21.501 Start of MODEL 21 1 H1 GLY 1 2H0 GLY 1 2.737 0.825 -1.441 2 H2 GLY 1 1H0 GLY 1 2.134 1.680 -2.692 3 HA2 GLY 1 1HA GLY 1 3.317 0.399 -4.317 4 HA3 GLY 1 2HA GLY 1 4.345 1.292 -3.144 5 H ILE 2 H ILE 2 5.888 0.183 -2.188 6 HA ILE 2 HA ILE 2 6.713 -2.299 -2.986 7 HB ILE 2 HB ILE 2 8.097 -0.758 -1.797 8 HG12 ILE 2 1HG1 ILE 2 7.857 -3.408 -0.309 9 HG13 ILE 2 2HG1 ILE 2 8.788 -3.039 -1.804 10 HG21 ILE 2 1HG2 ILE 2 7.963 -0.147 0.525 11 HG22 ILE 2 2HG2 ILE 2 6.337 0.072 -0.156 12 HG23 ILE 2 3HG2 ILE 2 6.684 -1.364 0.847 13 HD11 ILE 2 3HD1 ILE 2 10.238 -1.496 -0.468 14 HD12 ILE 2 1HD1 ILE 2 9.392 -2.009 1.006 15 HD13 ILE 2 2HD1 ILE 2 10.332 -3.178 0.029 16 H VAL 3 H VAL 3 4.637 -1.722 -0.051 17 HA VAL 3 HA VAL 3 4.860 -4.422 0.736 18 HB VAL 3 HB VAL 3 2.534 -2.510 1.386 19 HG11 VAL 3 1HG1 VAL 3 2.346 -3.771 3.442 20 HG12 VAL 3 2HG1 VAL 3 2.056 -4.789 2.007 21 HG13 VAL 3 3HG1 VAL 3 3.606 -4.888 2.896 22 HG21 VAL 3 3HG2 VAL 3 3.780 -1.771 3.333 23 HG22 VAL 3 1HG2 VAL 3 5.144 -2.878 2.982 24 HG23 VAL 3 2HG2 VAL 3 4.810 -1.503 1.862 25 H GLU 4 H GLU 4 2.343 -2.753 -1.133 26 HA GLU 4 HA GLU 4 0.687 -5.103 -1.117 27 HB2 GLU 4 1HB GLU 4 -0.600 -4.020 -2.956 28 HB3 GLU 4 2HB GLU 4 -0.434 -3.069 -1.472 29 HG2 GLU 4 1HG GLU 4 1.394 -1.737 -2.602 30 HG3 GLU 4 2HG GLU 4 1.111 -2.668 -4.057 31 HE2 GLU 4 HE2 GLU 4 0.796 -0.003 -3.117 32 H GLN 5 H GLN 5 3.263 -3.854 -3.342 33 HA GLN 5 HA GLN 5 2.645 -5.771 -5.397 34 HB2 GLN 5 1HB GLN 5 3.952 -3.675 -5.736 35 HB3 GLN 5 2HB GLN 5 5.262 -4.418 -4.813 36 HG2 GLN 5 1HG GLN 5 5.491 -6.147 -6.482 37 HG3 GLN 5 2HG GLN 5 4.064 -5.588 -7.340 38 HE21 GLN 5 2HE2 GLN 5 5.009 -4.931 -9.322 39 HE22 GLN 5 1HE2 GLN 5 6.185 -3.652 -9.461 40 H CYS 6 H CYS 6 5.037 -5.834 -2.658 41 HA CYS 6 HA CYS 6 5.957 -8.406 -3.574 42 HB2 CYS 6 1HB CYS 6 6.458 -7.012 -0.989 43 HB3 CYS 6 2HB CYS 6 7.389 -8.348 -1.614 44 H CYS 7 H CYS 7 3.262 -7.475 -1.665 45 HA CYS 7 HA CYS 7 3.136 -10.056 -0.288 46 HB2 CYS 7 1HB CYS 7 2.304 -7.847 0.525 47 HB3 CYS 7 2HB CYS 7 0.953 -8.003 -0.600 48 H THR 8 H THR 8 2.336 -8.871 -3.399 49 HA THR 8 HA THR 8 0.455 -11.169 -3.806 50 HB THR 8 HB THR 8 -0.626 -9.772 -5.553 51 HG1 THR 8 HG1 THR 8 0.807 -7.498 -4.723 52 HG21 THR 8 1HG2 THR 8 -1.496 -9.571 -3.270 53 HG22 THR 8 2HG2 THR 8 -1.653 -8.019 -4.123 54 HG23 THR 8 3HG2 THR 8 -0.349 -8.243 -2.900 55 H SER 9 H SER 9 3.528 -9.900 -4.614 56 HA SER 9 HA SER 9 3.662 -11.867 -6.807 57 HB2 SER 9 1HB SER 9 3.281 -9.567 -7.803 58 HB3 SER 9 2HB SER 9 4.838 -9.051 -7.125 59 HG SER 9 HG SER 9 4.960 -9.797 -9.304 60 H ILE 10 H ILE 10 6.037 -12.152 -7.422 61 HA ILE 10 HA ILE 10 7.575 -12.414 -4.902 62 HB ILE 10 HB ILE 10 8.248 -13.590 -7.680 63 HG12 ILE 10 1HG1 ILE 10 7.088 -14.914 -5.217 64 HG13 ILE 10 2HG1 ILE 10 6.178 -14.547 -6.694 65 HG21 ILE 10 1HG2 ILE 10 9.834 -15.064 -6.326 66 HG22 ILE 10 2HG2 ILE 10 10.294 -13.359 -6.416 67 HG23 ILE 10 3HG2 ILE 10 9.510 -13.987 -4.952 68 HD11 ILE 10 3HD1 ILE 10 6.720 -16.932 -6.773 69 HD12 ILE 10 1HD1 ILE 10 7.799 -16.144 -7.950 70 HD13 ILE 10 2HD1 ILE 10 8.420 -16.603 -6.356 71 H CYS 11 H CYS 11 8.317 -10.369 -4.489 72 HA CYS 11 HA CYS 11 9.687 -8.761 -6.498 73 HB2 CYS 11 1HB CYS 11 9.575 -8.607 -3.467 74 HB3 CYS 11 2HB CYS 11 10.438 -7.451 -4.471 75 H SER 12 H SER 12 11.772 -8.870 -7.095 76 HA SER 12 HA SER 12 13.374 -11.043 -5.858 77 HB2 SER 12 1HB SER 12 14.792 -10.885 -7.842 78 HB3 SER 12 2HB SER 12 13.079 -10.883 -8.321 79 HG SER 12 HG SER 12 14.301 -9.280 -9.414 80 H LEU 13 H LEU 13 15.869 -10.521 -5.564 81 HA LEU 13 HA LEU 13 16.221 -8.167 -3.926 82 HB2 LEU 13 1HB LEU 13 17.581 -10.191 -3.762 83 HB3 LEU 13 2HB LEU 13 18.147 -9.948 -5.417 84 HG LEU 13 HG LEU 13 18.763 -7.826 -3.390 85 HD11 LEU 13 1HD1 LEU 13 20.321 -10.429 -3.647 86 HD12 LEU 13 2HD1 LEU 13 19.271 -10.041 -2.286 87 HD13 LEU 13 3HD1 LEU 13 20.727 -9.077 -2.597 88 HD21 LEU 13 3HD2 LEU 13 20.493 -9.079 -5.553 89 HD22 LEU 13 1HD2 LEU 13 20.823 -7.589 -4.592 90 HD23 LEU 13 2HD2 LEU 13 19.506 -7.595 -5.796 91 H TYR 14 H TYR 14 16.541 -8.812 -7.336 92 HA TYR 14 HA TYR 14 18.139 -6.619 -8.126 93 HB2 TYR 14 1HB TYR 14 17.094 -8.695 -9.450 94 HB3 TYR 14 2HB TYR 14 15.808 -7.546 -9.768 95 HD1 TYR 14 HD1 TYR 14 16.217 -5.492 -11.050 96 HD2 TYR 14 HD2 TYR 14 19.277 -8.507 -10.430 97 HE1 TYR 14 HE1 TYR 14 17.623 -4.473 -12.897 98 HE2 TYR 14 HE2 TYR 14 20.656 -7.530 -12.269 99 HH TYR 14 HH TYR 14 20.838 -5.830 -13.825 100 H GLN 15 H GLN 15 14.538 -6.698 -7.491 101 HA GLN 15 HA GLN 15 14.385 -3.820 -8.138 102 HB2 GLN 15 1HB GLN 15 12.604 -5.426 -8.835 103 HB3 GLN 15 2HB GLN 15 12.303 -5.807 -7.146 104 HG2 GLN 15 1HG GLN 15 11.653 -3.427 -6.754 105 HG3 GLN 15 2HG GLN 15 11.909 -3.034 -8.470 106 HE21 GLN 15 2HE2 GLN 15 9.721 -2.279 -8.019 107 HE22 GLN 15 1HE2 GLN 15 8.369 -3.373 -8.270 108 H LEU 16 H LEU 16 14.345 -6.059 -5.369 109 HA LEU 16 HA LEU 16 13.209 -4.206 -3.556 110 HB2 LEU 16 1HB LEU 16 13.609 -6.761 -3.321 111 HB3 LEU 16 2HB LEU 16 15.217 -6.323 -2.704 112 HG LEU 16 HG LEU 16 13.807 -4.679 -1.142 113 HD11 LEU 16 1HD1 LEU 16 11.544 -5.734 -0.597 114 HD12 LEU 16 2HD1 LEU 16 11.702 -6.753 -2.055 115 HD13 LEU 16 3HD1 LEU 16 11.618 -4.954 -2.189 116 HD21 LEU 16 3HD2 LEU 16 14.231 -7.688 -0.880 117 HD22 LEU 16 1HD2 LEU 16 13.332 -6.809 0.381 118 HD23 LEU 16 2HD2 LEU 16 14.999 -6.358 0.012 119 H GLU 17 H GLU 17 16.592 -4.584 -4.654 120 HA GLU 17 HA GLU 17 17.910 -2.993 -2.709 121 HB2 GLU 17 1HB GLU 17 18.346 -3.388 -5.675 122 HB3 GLU 17 2HB GLU 17 19.312 -2.242 -4.733 123 HG2 GLU 17 1HG GLU 17 19.769 -4.314 -3.189 124 HG3 GLU 17 2HG GLU 17 19.146 -5.233 -4.541 125 HE2 GLU 17 HE2 GLU 17 21.081 -2.467 -4.214 126 H ASN 18 H ASN 18 15.673 -1.898 -5.268 127 HA ASN 18 HA ASN 18 16.702 0.769 -5.378 128 HB2 ASN 18 1HB ASN 18 15.168 -0.330 -7.047 129 HB3 ASN 18 2HB ASN 18 13.851 -0.093 -5.890 130 HD21 ASN 18 2HD2 ASN 18 12.623 1.397 -6.762 131 HD22 ASN 18 1HD2 ASN 18 13.190 2.978 -7.285 132 H TYR 19 H TYR 19 14.748 -0.930 -3.044 133 HA TYR 19 HA TYR 19 13.723 1.543 -1.756 134 HB2 TYR 19 1HB TYR 19 13.643 -1.330 -0.839 135 HB3 TYR 19 2HB TYR 19 12.724 0.038 -0.162 136 HD1 TYR 19 HD1 TYR 19 11.343 1.412 -2.077 137 HD2 TYR 19 HD2 TYR 19 12.460 -2.724 -2.317 138 HE1 TYR 19 HE1 TYR 19 9.539 1.032 -3.758 139 HE2 TYR 19 HE2 TYR 19 10.699 -3.065 -4.062 140 HH TYR 19 HH TYR 19 8.971 -2.125 -5.369 141 H CYS 20 H CYS 20 16.687 0.149 -1.985 142 HA CYS 20 HA CYS 20 17.536 1.338 0.566 143 HB2 CYS 20 1HB CYS 20 17.237 -1.226 0.551 144 HB3 CYS 20 2HB CYS 20 18.788 -1.319 -0.316 145 H ASN 21 H ASN 21 17.576 2.494 -2.009 146 HA ASN 21 HA ASN 21 20.393 2.238 -2.943 147 HB2 ASN 21 1HB ASN 21 18.716 1.460 -4.595 148 HB3 ASN 21 2HB ASN 21 17.910 3.067 -4.584 149 HD21 ASN 21 2HD2 ASN 21 18.179 3.763 -6.559 150 HD22 ASN 21 1HD2 ASN 21 19.758 3.924 -7.320 151 HXT ASN 21 H02 ASN 21 19.152 5.857 -2.408 152 H1 PHE 31 2H0 PHE 31 21.683 -16.196 -3.204 153 H2 PHE 31 1H0 PHE 31 21.404 -15.344 -4.549 154 HA PHE 31 HA PHE 31 20.238 -14.931 -1.903 155 HB2 PHE 31 1HB PHE 31 20.763 -12.783 -3.086 156 HB3 PHE 31 2HB PHE 31 19.852 -13.331 -4.506 157 HD1 PHE 31 HD1 PHE 31 19.590 -12.257 -0.920 158 HD2 PHE 31 HD2 PHE 31 17.403 -13.145 -4.522 159 HE1 PHE 31 HE1 PHE 31 17.539 -11.353 0.055 160 HE2 PHE 31 HE2 PHE 31 15.332 -12.284 -3.546 161 HZ PHE 31 HZ PHE 31 15.365 -11.349 -1.221 162 H VAL 32 H VAL 32 17.985 -15.282 -1.815 163 HA VAL 32 HA VAL 32 16.994 -17.135 -3.917 164 HB VAL 32 HB VAL 32 16.269 -17.204 -0.965 165 HG11 VAL 32 1HG1 VAL 32 15.215 -19.343 -1.543 166 HG12 VAL 32 2HG1 VAL 32 14.536 -18.029 -2.541 167 HG13 VAL 32 3HG1 VAL 32 15.739 -19.157 -3.235 168 HG21 VAL 32 3HG2 VAL 32 18.250 -18.880 -2.592 169 HG22 VAL 32 1HG2 VAL 32 18.612 -17.890 -1.162 170 HG23 VAL 32 2HG2 VAL 32 17.638 -19.358 -0.983 171 H ASN 33 H ASN 33 15.383 -16.154 -5.077 172 HA ASN 33 HA ASN 33 13.971 -13.792 -3.963 173 HB2 ASN 33 1HB ASN 33 13.518 -15.355 -6.589 174 HB3 ASN 33 2HB ASN 33 12.702 -13.870 -6.094 175 HD21 ASN 33 2HD2 ASN 33 14.788 -14.835 -8.186 176 HD22 ASN 33 1HD2 ASN 33 15.943 -13.506 -8.201 177 H GLN 34 H GLN 34 11.912 -13.780 -3.171 178 HA GLN 34 HA GLN 34 10.239 -16.191 -3.088 179 HB2 GLN 34 1HB GLN 34 10.429 -16.546 -0.665 180 HB3 GLN 34 2HB GLN 34 11.977 -16.780 -1.466 181 HG2 GLN 34 1HG GLN 34 12.558 -14.384 -0.874 182 HG3 GLN 34 2HG GLN 34 11.121 -14.383 0.174 183 HE21 GLN 34 2HE2 GLN 34 14.448 -14.990 0.057 184 HE22 GLN 34 1HE2 GLN 34 14.584 -15.936 1.531 185 H HIS 35 H HIS 35 8.316 -15.934 -1.538 186 HA HIS 35 HA HIS 35 7.141 -13.319 -2.249 187 HB2 HIS 35 1HB HIS 35 6.145 -15.538 -0.400 188 HB3 HIS 35 2HB HIS 35 5.184 -14.115 -0.912 189 HD1 HIS 35 HD1 HIS 35 4.235 -14.033 -3.284 190 HD2 HIS 35 HD2 HIS 35 6.424 -17.475 -2.446 191 HE1 HIS 35 HE1 HIS 35 3.745 -15.709 -5.144 192 HE2 HIS 35 HE2 HIS 35 5.089 -17.780 -4.590 193 H LEU 36 H LEU 36 6.653 -11.579 -0.913 194 HA LEU 36 HA LEU 36 7.922 -11.739 1.797 195 HB2 LEU 36 1HB LEU 36 8.443 -9.626 -0.372 196 HB3 LEU 36 2HB LEU 36 8.984 -9.524 1.289 197 HG LEU 36 HG LEU 36 9.878 -11.615 -0.648 198 HD11 LEU 36 1HD1 LEU 36 10.601 -9.434 -1.369 199 HD12 LEU 36 2HD1 LEU 36 11.969 -10.327 -0.757 200 HD13 LEU 36 3HD1 LEU 36 11.217 -9.043 0.254 201 HD21 LEU 36 3HD2 LEU 36 10.097 -12.382 1.681 202 HD22 LEU 36 1HD2 LEU 36 10.959 -10.913 2.082 203 HD23 LEU 36 2HD2 LEU 36 11.641 -12.105 0.918 204 H CYS 37 H CYS 37 5.922 -11.598 2.863 205 HA CYS 37 HA CYS 37 4.723 -8.880 2.727 206 HB2 CYS 37 1HB CYS 37 3.262 -10.890 1.723 207 HB3 CYS 37 2HB CYS 37 3.068 -11.328 3.410 208 H GLY 38 H GLY 38 3.806 -8.321 4.846 209 HA2 GLY 38 1HA GLY 38 3.868 -8.208 7.125 210 HA3 GLY 38 2HA GLY 38 4.238 -9.957 7.164 211 H SER 39 H SER 39 5.670 -9.865 8.733 212 HA SER 39 HA SER 39 7.883 -8.131 8.897 213 HB2 SER 39 1HB SER 39 7.669 -10.993 9.976 214 HB3 SER 39 2HB SER 39 8.718 -9.699 10.629 215 HG SER 39 HG SER 39 6.962 -9.726 11.886 216 H HIS 40 H HIS 40 7.370 -11.069 6.972 217 HA HIS 40 HA HIS 40 10.085 -11.761 6.573 218 HB2 HIS 40 1HB HIS 40 7.578 -12.303 5.167 219 HB3 HIS 40 2HB HIS 40 8.986 -12.262 4.111 220 HD1 HIS 40 HD1 HIS 40 8.511 -14.820 3.747 221 HD2 HIS 40 HD2 HIS 40 9.726 -13.737 7.602 222 HE1 HIS 40 HE1 HIS 40 9.286 -16.957 4.924 223 HE2 HIS 40 HE2 HIS 40 9.979 -16.271 7.277 224 H LEU 41 H LEU 41 8.018 -9.255 5.059 225 HA LEU 41 HA LEU 41 9.837 -8.622 2.950 226 HB2 LEU 41 1HB LEU 41 7.452 -7.931 3.101 227 HB3 LEU 41 2HB LEU 41 7.851 -6.911 4.490 228 HG LEU 41 HG LEU 41 9.101 -5.413 2.989 229 HD11 LEU 41 1HD1 LEU 41 8.909 -5.682 0.492 230 HD12 LEU 41 2HD1 LEU 41 8.304 -7.329 0.792 231 HD13 LEU 41 3HD1 LEU 41 9.970 -6.882 1.311 232 HD21 LEU 41 3HD2 LEU 41 6.871 -4.819 3.375 233 HD22 LEU 41 1HD2 LEU 41 6.269 -6.150 2.326 234 HD23 LEU 41 2HD2 LEU 41 7.020 -4.752 1.599 235 H VAL 42 H VAL 42 9.536 -7.366 6.308 236 HA VAL 42 HA VAL 42 11.530 -5.286 5.878 237 HB VAL 42 HB VAL 42 10.714 -6.423 8.609 238 HG11 VAL 42 1HG1 VAL 42 12.586 -4.931 8.807 239 HG12 VAL 42 2HG1 VAL 42 11.866 -3.807 7.635 240 HG13 VAL 42 3HG1 VAL 42 11.143 -3.991 9.259 241 HG21 VAL 42 3HG2 VAL 42 9.060 -4.430 8.625 242 HG22 VAL 42 1HG2 VAL 42 9.250 -4.402 6.865 243 HG23 VAL 42 2HG2 VAL 42 8.585 -5.855 7.652 244 H GLU 43 H GLU 43 11.538 -8.656 7.122 245 HA GLU 43 HA GLU 43 14.189 -8.632 8.092 246 HB2 GLU 43 1HB GLU 43 12.573 -10.478 8.548 247 HB3 GLU 43 2HB GLU 43 12.659 -10.988 6.887 248 HG2 GLU 43 1HG GLU 43 15.170 -11.234 7.190 249 HG3 GLU 43 2HG GLU 43 14.816 -11.118 8.936 250 HE2 GLU 43 HE2 GLU 43 14.696 -14.466 7.227 251 H ALA 44 H ALA 44 12.862 -9.651 4.864 252 HA ALA 44 HA ALA 44 15.348 -10.316 3.701 253 HB1 ALA 44 3HB ALA 44 14.241 -10.017 1.542 254 HB2 ALA 44 1HB ALA 44 13.235 -10.922 2.694 255 HB3 ALA 44 2HB ALA 44 12.855 -9.197 2.355 256 H LEU 45 H LEU 45 13.586 -7.173 3.849 257 HA LEU 45 HA LEU 45 15.318 -5.723 2.165 258 HB2 LEU 45 1HB LEU 45 13.048 -5.084 3.084 259 HB3 LEU 45 2HB LEU 45 13.822 -4.653 4.593 260 HG LEU 45 HG LEU 45 15.144 -2.946 3.438 261 HD11 LEU 45 1HD1 LEU 45 13.692 -3.809 0.956 262 HD12 LEU 45 2HD1 LEU 45 15.427 -3.807 1.265 263 HD13 LEU 45 3HD1 LEU 45 14.553 -2.279 1.096 264 HD21 LEU 45 3HD2 LEU 45 12.146 -2.804 3.059 265 HD22 LEU 45 1HD2 LEU 45 13.210 -1.419 2.709 266 HD23 LEU 45 2HD2 LEU 45 13.137 -2.056 4.346 267 H TYR 46 H TYR 46 15.436 -6.374 5.724 268 HA TYR 46 HA TYR 46 17.622 -4.634 6.315 269 HB2 TYR 46 1HB TYR 46 16.247 -5.615 8.091 270 HB3 TYR 46 2HB TYR 46 16.728 -7.225 7.609 271 HD1 TYR 46 HD2 TYR 46 18.865 -8.165 8.144 272 HD2 TYR 46 HD1 TYR 46 17.795 -4.229 9.409 273 HE1 TYR 46 HE2 TYR 46 20.763 -8.199 9.751 274 HE2 TYR 46 HE1 TYR 46 19.763 -4.257 11.079 275 HH TYR 46 HH TYR 46 21.493 -5.655 12.009 276 H LEU 47 H LEU 47 17.408 -8.078 5.277 277 HA LEU 47 HA LEU 47 20.249 -8.480 5.481 278 HB2 LEU 47 1HB LEU 47 18.105 -9.860 3.811 279 HB3 LEU 47 2HB LEU 47 19.754 -10.413 3.854 280 HG LEU 47 HG LEU 47 17.980 -10.138 6.304 281 HD11 LEU 47 1HD1 LEU 47 18.647 -12.786 4.977 282 HD12 LEU 47 2HD1 LEU 47 17.191 -11.858 4.543 283 HD13 LEU 47 3HD1 LEU 47 17.414 -12.435 6.196 284 HD21 LEU 47 3HD2 LEU 47 20.644 -11.563 5.898 285 HD22 LEU 47 1HD2 LEU 47 19.652 -11.693 7.353 286 HD23 LEU 47 2HD2 LEU 47 20.340 -10.122 6.906 287 H VAL 48 H VAL 48 18.186 -7.373 2.720 288 HA VAL 48 HA VAL 48 20.346 -7.465 0.813 289 HB VAL 48 HB VAL 48 17.638 -6.043 0.829 290 HG11 VAL 48 1HG1 VAL 48 18.834 -4.625 -0.626 291 HG12 VAL 48 2HG1 VAL 48 19.760 -5.983 -1.342 292 HG13 VAL 48 3HG1 VAL 48 18.029 -5.799 -1.728 293 HG21 VAL 48 3HG2 VAL 48 16.942 -7.786 -0.716 294 HG22 VAL 48 1HG2 VAL 48 18.617 -8.361 -0.840 295 HG23 VAL 48 2HG2 VAL 48 17.730 -8.548 0.650 296 H CYS 49 H CYS 49 19.060 -4.996 3.046 297 HA CYS 49 HA CYS 49 20.838 -2.980 2.122 298 HB2 CYS 49 1HB CYS 49 19.447 -3.446 4.721 299 HB3 CYS 49 2HB CYS 49 20.368 -1.959 4.396 300 H GLY 50 H GLY 50 21.197 -5.639 4.385 301 HA2 GLY 50 1HA GLY 50 23.526 -6.508 4.513 302 HA3 GLY 50 2HA GLY 50 24.082 -4.833 4.720 303 H GLU 51 H GLU 51 23.545 -3.705 6.746 304 HA GLU 51 HA GLU 51 22.464 -5.437 8.955 305 HB2 GLU 51 1HB GLU 51 25.009 -5.917 8.674 306 HB3 GLU 51 2HB GLU 51 25.305 -4.261 9.143 307 HG2 GLU 51 1HG GLU 51 23.883 -5.019 11.324 308 HG3 GLU 51 2HG GLU 51 24.352 -6.647 10.819 309 HE2 GLU 51 HE2 GLU 51 26.574 -6.910 10.459 310 H GLN 52 H GLN 52 21.895 -2.841 7.413 311 HA GLN 52 HA GLN 52 22.765 -0.574 8.910 312 HB2 GLN 52 1HB GLN 52 20.139 -0.869 7.337 313 HB3 GLN 52 2HB GLN 52 20.923 0.626 7.856 314 HG2 GLN 52 1HG GLN 52 22.915 -0.115 6.399 315 HG3 GLN 52 2HG GLN 52 21.874 -1.401 5.780 316 HE21 GLN 52 2HE2 GLN 52 23.098 0.779 4.271 317 HE22 GLN 52 1HE2 GLN 52 21.777 1.597 3.530 318 H GLY 53 H GLY 53 19.666 -2.415 9.255 319 HA2 GLY 53 1HA GLY 53 18.260 -2.582 11.196 320 HA3 GLY 53 2HA GLY 53 19.385 -1.478 12.012 321 H PHE 54 H PHE 54 16.345 -1.654 10.304 322 HA PHE 54 HA PHE 54 16.261 1.151 9.609 323 HB2 PHE 54 1HB PHE 54 13.888 -0.721 9.867 324 HB3 PHE 54 2HB PHE 54 14.025 0.806 8.969 325 HD1 PHE 54 HD2 PHE 54 16.236 0.720 7.277 326 HD2 PHE 54 HD1 PHE 54 13.932 -2.625 8.669 327 HE1 PHE 54 HE2 PHE 54 17.021 -0.648 5.355 328 HE2 PHE 54 HE1 PHE 54 14.702 -3.990 6.812 329 HZ PHE 54 HZ PHE 54 16.345 -3.044 5.146 330 H PHE 55 H PHE 55 15.604 -0.569 12.570 331 HA PHE 55 HA PHE 55 14.968 1.908 13.910 332 HB2 PHE 55 1HB PHE 55 12.733 1.163 13.073 333 HB3 PHE 55 2HB PHE 55 12.932 -0.351 13.931 334 HD1 PHE 55 HD2 PHE 55 12.399 3.271 14.260 335 HD2 PHE 55 HD1 PHE 55 12.695 -0.426 16.392 336 HE1 PHE 55 HE2 PHE 55 11.361 4.358 16.284 337 HE2 PHE 55 HE1 PHE 55 11.658 0.598 18.433 338 HZ PHE 55 HZ PHE 55 10.997 3.010 18.353 339 H TYR 56 H TYR 56 15.820 1.857 15.892 340 HA TYR 56 HA TYR 56 15.943 -0.676 17.384 341 HB2 TYR 56 1HB TYR 56 18.068 -0.768 16.043 342 HB3 TYR 56 2HB TYR 56 18.453 0.848 16.625 343 HD1 TYR 56 HD2 TYR 56 18.000 -2.694 17.598 344 HD2 TYR 56 HD1 TYR 56 19.501 1.176 18.753 345 HE1 TYR 56 HE2 TYR 56 19.272 -3.788 19.492 346 HE2 TYR 56 HE1 TYR 56 20.600 0.149 20.783 347 HH TYR 56 HH TYR 56 21.302 -1.904 21.668 348 H THR 57 H THR 57 16.238 -0.204 19.655 349 HA THR 57 HA THR 57 16.123 2.691 20.246 350 HB THR 57 HB THR 57 13.963 2.032 20.617 351 HG1 THR 57 HG1 THR 57 15.509 1.635 22.996 352 HG21 THR 57 1HG2 THR 57 14.997 -0.523 22.016 353 HG22 THR 57 2HG2 THR 57 14.330 -0.473 20.361 354 HG23 THR 57 3HG2 THR 57 13.286 -0.110 21.739 355 HA PRO 58 HA PRO 58 19.732 1.196 22.564 356 HB2 PRO 58 1HB PRO 58 21.114 3.551 22.516 357 HB3 PRO 58 2HB PRO 58 20.979 2.453 21.026 358 HG2 PRO 58 1HG PRO 58 19.408 4.943 21.775 359 HG3 PRO 58 2HG PRO 58 20.214 4.488 20.205 360 HD2 PRO 58 1HD PRO 58 17.535 4.097 20.758 361 HD3 PRO 58 2HD PRO 58 18.486 3.078 19.621 362 H LYS 59 H LYS 59 20.823 2.060 24.569 363 HA LYS 59 HA LYS 59 18.958 3.937 26.058 364 HB2 LYS 59 1HB LYS 59 19.089 2.722 28.090 365 HB3 LYS 59 2HB LYS 59 18.673 1.545 26.864 366 HG2 LYS 59 1HG LYS 59 20.910 0.592 26.832 367 HG3 LYS 59 2HG LYS 59 21.509 1.839 27.973 368 HD2 LYS 59 1HD LYS 59 19.946 1.043 29.684 369 HD3 LYS 59 2HD LYS 59 19.374 -0.196 28.570 370 HE2 LYS 59 1HE LYS 59 22.289 0.053 29.509 371 HE3 LYS 59 2HE LYS 59 21.086 -1.040 30.263 372 HZ1 LYS 59 3HZ LYS 59 21.973 -1.111 27.370 373 HZ2 LYS 59 1HZ LYS 59 20.810 -2.091 28.056 374 HZ3 LYS 59 2HZ LYS 59 22.425 -2.196 28.528 375 H THR 60 H THR 60 22.056 3.482 24.857 376 HA THR 60 HA THR 60 23.102 5.577 26.680 377 HB THR 60 HB THR 60 24.089 3.289 27.354 378 HG1 THR 60 HG1 THR 60 26.264 4.050 27.352 379 HG21 THR 60 1HG2 THR 60 24.170 2.265 24.934 380 HG22 THR 60 2HG2 THR 60 25.618 2.067 25.978 381 HG23 THR 60 3HG2 THR 60 25.626 3.303 24.734 382 HXT THR 60 H02 THR 60 24.701 6.585 25.768 Start of MODEL 22 1 H1 GLY 1 2H0 GLY 1 2.243 0.893 -4.065 2 H2 GLY 1 1H0 GLY 1 1.145 -0.097 -3.419 3 HA2 GLY 1 1HA GLY 1 3.160 1.509 -1.934 4 HA3 GLY 1 2HA GLY 1 1.929 0.508 -1.186 5 H ILE 2 H ILE 2 4.855 0.483 -1.042 6 HA ILE 2 HA ILE 2 6.031 -1.564 -2.442 7 HB ILE 2 HB ILE 2 7.430 -0.064 -1.040 8 HG12 ILE 2 1HG1 ILE 2 7.672 -2.935 -0.039 9 HG13 ILE 2 2HG1 ILE 2 8.363 -2.259 -1.512 10 HG21 ILE 2 1HG2 ILE 2 7.395 0.074 1.338 11 HG22 ILE 2 2HG2 ILE 2 5.679 0.004 0.914 12 HG23 ILE 2 3HG2 ILE 2 6.482 -1.471 1.523 13 HD11 ILE 2 3HD1 ILE 2 9.136 -1.681 1.392 14 HD12 ILE 2 1HD1 ILE 2 10.160 -2.359 0.080 15 HD13 ILE 2 2HD1 ILE 2 9.674 -0.643 0.055 16 H VAL 3 H VAL 3 4.076 -1.931 0.550 17 HA VAL 3 HA VAL 3 4.713 -4.667 1.012 18 HB VAL 3 HB VAL 3 2.241 -3.050 1.835 19 HG11 VAL 3 1HG1 VAL 3 2.082 -4.667 3.803 20 HG12 VAL 3 2HG1 VAL 3 1.799 -5.460 2.173 21 HG13 VAL 3 3HG1 VAL 3 3.336 -5.678 3.045 22 HG21 VAL 3 3HG2 VAL 3 4.374 -2.036 2.492 23 HG22 VAL 3 1HG2 VAL 3 3.390 -2.578 3.925 24 HG23 VAL 3 2HG2 VAL 3 4.815 -3.501 3.396 25 H GLU 4 H GLU 4 1.745 -3.293 -0.527 26 HA GLU 4 HA GLU 4 0.727 -5.893 -1.039 27 HB2 GLU 4 1HB GLU 4 -1.092 -4.796 -2.182 28 HB3 GLU 4 2HB GLU 4 -0.688 -3.883 -0.694 29 HG2 GLU 4 1HG GLU 4 0.642 -2.294 -2.142 30 HG3 GLU 4 2HG GLU 4 0.014 -3.173 -3.555 31 HE2 GLU 4 HE2 GLU 4 -0.659 -1.143 -3.935 32 H GLN 5 H GLN 5 2.893 -3.723 -2.819 33 HA GLN 5 HA GLN 5 2.616 -5.035 -5.408 34 HB2 GLN 5 1HB GLN 5 4.699 -3.339 -4.063 35 HB3 GLN 5 2HB GLN 5 4.970 -4.045 -5.656 36 HG2 GLN 5 1HG GLN 5 2.457 -2.438 -5.088 37 HG3 GLN 5 2HG GLN 5 3.941 -1.595 -5.402 38 HE21 GLN 5 2HE2 GLN 5 3.689 -0.737 -7.372 39 HE22 GLN 5 1HE2 GLN 5 3.264 -1.632 -8.810 40 H CYS 6 H CYS 6 4.893 -5.413 -2.689 41 HA CYS 6 HA CYS 6 6.430 -7.493 -4.067 42 HB2 CYS 6 1HB CYS 6 7.301 -5.759 -2.480 43 HB3 CYS 6 2HB CYS 6 6.473 -6.560 -1.168 44 H CYS 7 H CYS 7 3.841 -7.506 -1.617 45 HA CYS 7 HA CYS 7 4.150 -10.209 -0.808 46 HB2 CYS 7 1HB CYS 7 2.816 -8.524 0.446 47 HB3 CYS 7 2HB CYS 7 1.680 -8.499 -0.902 48 H THR 8 H THR 8 2.163 -8.741 -3.350 49 HA THR 8 HA THR 8 0.592 -11.155 -3.818 50 HB THR 8 HB THR 8 -0.422 -9.812 -5.686 51 HG1 THR 8 HG1 THR 8 0.897 -7.536 -4.679 52 HG21 THR 8 1HG2 THR 8 -1.307 -9.706 -3.337 53 HG22 THR 8 2HG2 THR 8 -1.585 -8.228 -4.291 54 HG23 THR 8 3HG2 THR 8 -0.293 -8.295 -3.061 55 H SER 9 H SER 9 3.681 -10.170 -4.775 56 HA SER 9 HA SER 9 3.591 -11.972 -7.168 57 HB2 SER 9 1HB SER 9 5.122 -9.350 -6.922 58 HB3 SER 9 2HB SER 9 5.009 -10.353 -8.374 59 HG SER 9 HG SER 9 3.376 -8.450 -7.592 60 H ILE 10 H ILE 10 5.838 -12.606 -7.844 61 HA ILE 10 HA ILE 10 7.420 -13.407 -5.545 62 HB ILE 10 HB ILE 10 8.014 -13.483 -8.590 63 HG12 ILE 10 1HG1 ILE 10 6.137 -15.061 -7.879 64 HG13 ILE 10 2HG1 ILE 10 7.573 -15.897 -8.474 65 HG21 ILE 10 1HG2 ILE 10 10.222 -13.445 -7.320 66 HG22 ILE 10 2HG2 ILE 10 9.536 -14.678 -6.158 67 HG23 ILE 10 3HG2 ILE 10 9.892 -15.124 -7.875 68 HD11 ILE 10 3HD1 ILE 10 8.256 -16.504 -6.177 69 HD12 ILE 10 1HD1 ILE 10 6.928 -15.569 -5.478 70 HD13 ILE 10 2HD1 ILE 10 6.580 -17.014 -6.496 71 H CYS 11 H CYS 11 8.827 -12.103 -4.608 72 HA CYS 11 HA CYS 11 9.209 -9.480 -5.774 73 HB2 CYS 11 1HB CYS 11 8.892 -10.341 -3.225 74 HB3 CYS 11 2HB CYS 11 10.675 -10.114 -3.266 75 H SER 12 H SER 12 10.699 -9.162 -7.322 76 HA SER 12 HA SER 12 13.012 -10.900 -7.546 77 HB2 SER 12 1HB SER 12 13.538 -8.519 -8.931 78 HB3 SER 12 2HB SER 12 12.905 -10.006 -9.571 79 HG SER 12 HG SER 12 11.240 -8.703 -10.067 80 H LEU 13 H LEU 13 15.209 -10.540 -6.942 81 HA LEU 13 HA LEU 13 15.684 -8.848 -4.755 82 HB2 LEU 13 1HB LEU 13 17.046 -10.837 -5.278 83 HB3 LEU 13 2HB LEU 13 17.617 -10.037 -6.760 84 HG LEU 13 HG LEU 13 18.776 -8.322 -5.413 85 HD11 LEU 13 1HD1 LEU 13 19.086 -8.541 -2.973 86 HD12 LEU 13 2HD1 LEU 13 18.242 -10.095 -2.968 87 HD13 LEU 13 3HD1 LEU 13 17.375 -8.591 -3.257 88 HD21 LEU 13 3HD2 LEU 13 20.097 -10.162 -6.221 89 HD22 LEU 13 1HD2 LEU 13 19.454 -11.246 -4.928 90 HD23 LEU 13 2HD2 LEU 13 20.581 -9.909 -4.511 91 H TYR 14 H TYR 14 16.465 -8.311 -8.234 92 HA TYR 14 HA TYR 14 17.669 -5.845 -7.940 93 HB2 TYR 14 1HB TYR 14 17.489 -7.178 -10.046 94 HB3 TYR 14 2HB TYR 14 15.842 -6.566 -10.225 95 HD1 TYR 14 HD1 TYR 14 15.468 -4.196 -10.766 96 HD2 TYR 14 HD2 TYR 14 19.465 -5.663 -10.361 97 HE1 TYR 14 HE1 TYR 14 16.359 -2.053 -11.785 98 HE2 TYR 14 HE2 TYR 14 20.380 -3.522 -11.323 99 HH TYR 14 HH TYR 14 18.080 -0.876 -12.445 100 H GLN 15 H GLN 15 14.163 -6.492 -7.984 101 HA GLN 15 HA GLN 15 13.453 -3.651 -8.082 102 HB2 GLN 15 1HB GLN 15 12.052 -5.636 -8.850 103 HB3 GLN 15 2HB GLN 15 11.865 -6.074 -7.157 104 HG2 GLN 15 1HG GLN 15 10.715 -3.863 -6.768 105 HG3 GLN 15 2HG GLN 15 10.988 -3.467 -8.491 106 HE21 GLN 15 2HE2 GLN 15 9.572 -4.231 -9.980 107 HE22 GLN 15 1HE2 GLN 15 8.265 -5.332 -9.660 108 H LEU 16 H LEU 16 13.883 -6.189 -5.564 109 HA LEU 16 HA LEU 16 12.881 -4.579 -3.367 110 HB2 LEU 16 1HB LEU 16 13.213 -7.029 -3.455 111 HB3 LEU 16 2HB LEU 16 14.949 -6.795 -3.298 112 HG LEU 16 HG LEU 16 13.782 -5.333 -1.149 113 HD11 LEU 16 1HD1 LEU 16 12.343 -7.995 -1.498 114 HD12 LEU 16 2HD1 LEU 16 11.595 -6.409 -1.417 115 HD13 LEU 16 3HD1 LEU 16 12.384 -7.067 0.000 116 HD21 LEU 16 3HD2 LEU 16 15.866 -6.765 -1.124 117 HD22 LEU 16 1HD2 LEU 16 14.792 -8.196 -1.022 118 HD23 LEU 16 2HD2 LEU 16 14.809 -7.016 0.291 119 H GLU 17 H GLU 17 15.966 -4.819 -5.040 120 HA GLU 17 HA GLU 17 17.561 -3.414 -3.119 121 HB2 GLU 17 1HB GLU 17 17.765 -4.283 -5.913 122 HB3 GLU 17 2HB GLU 17 18.632 -2.804 -5.618 123 HG2 GLU 17 1HG GLU 17 18.910 -5.207 -3.809 124 HG3 GLU 17 2HG GLU 17 19.875 -5.071 -5.272 125 HE2 GLU 17 HE2 GLU 17 20.477 -2.641 -5.460 126 H ASN 18 H ASN 18 15.033 -2.212 -5.279 127 HA ASN 18 HA ASN 18 16.215 0.395 -5.608 128 HB2 ASN 18 1HB ASN 18 14.302 -0.801 -6.991 129 HB3 ASN 18 2HB ASN 18 13.261 -0.196 -5.694 130 HD21 ASN 18 2HD2 ASN 18 15.552 0.786 -8.186 131 HD22 ASN 18 1HD2 ASN 18 14.886 2.404 -8.368 132 H TYR 19 H TYR 19 14.575 -1.324 -3.106 133 HA TYR 19 HA TYR 19 13.707 1.140 -1.672 134 HB2 TYR 19 1HB TYR 19 13.414 -1.798 -0.824 135 HB3 TYR 19 2HB TYR 19 12.638 -0.396 -0.093 136 HD1 TYR 19 HD1 TYR 19 11.004 0.896 -1.687 137 HD2 TYR 19 HD2 TYR 19 12.359 -3.082 -2.347 138 HE1 TYR 19 HE1 TYR 19 9.094 0.563 -3.283 139 HE2 TYR 19 HE2 TYR 19 10.379 -3.566 -3.898 140 HH TYR 19 HH TYR 19 8.577 -2.468 -5.091 141 H CYS 20 H CYS 20 16.629 -0.161 -2.204 142 HA CYS 20 HA CYS 20 17.533 -1.053 0.368 143 HB2 CYS 20 1HB CYS 20 18.773 -1.510 -1.610 144 HB3 CYS 20 2HB CYS 20 18.826 0.193 -2.077 145 H ASN 21 H ASN 21 17.871 0.016 2.098 146 HA ASN 21 HA ASN 21 17.740 2.986 2.278 147 HB2 ASN 21 1HB ASN 21 16.466 1.224 3.858 148 HB3 ASN 21 2HB ASN 21 17.980 1.292 4.784 149 HD21 ASN 21 2HD2 ASN 21 15.519 2.150 5.772 150 HD22 ASN 21 1HD2 ASN 21 15.510 3.854 6.010 151 HXT ASN 21 H02 ASN 21 19.039 4.038 3.493 152 H1 PHE 31 2H0 PHE 31 19.820 -16.677 -5.082 153 H2 PHE 31 1H0 PHE 31 20.943 -15.704 -4.488 154 HA PHE 31 HA PHE 31 19.387 -15.488 -2.488 155 HB2 PHE 31 1HB PHE 31 19.960 -13.683 -4.176 156 HB3 PHE 31 2HB PHE 31 18.545 -14.192 -5.159 157 HD1 PHE 31 HD2 PHE 31 19.370 -12.901 -1.778 158 HD2 PHE 31 HD1 PHE 31 16.345 -13.550 -4.751 159 HE1 PHE 31 HE2 PHE 31 17.694 -11.615 -0.344 160 HE2 PHE 31 HE1 PHE 31 14.704 -12.197 -3.391 161 HZ PHE 31 HZ PHE 31 15.367 -11.235 -1.226 162 H VAL 32 H VAL 32 17.792 -16.143 -1.501 163 HA VAL 32 HA VAL 32 15.906 -18.007 -2.798 164 HB VAL 32 HB VAL 32 16.154 -16.950 0.063 165 HG11 VAL 32 1HG1 VAL 32 14.205 -18.975 -1.067 166 HG12 VAL 32 2HG1 VAL 32 14.513 -18.784 0.653 167 HG13 VAL 32 3HG1 VAL 32 13.817 -17.442 -0.286 168 HG21 VAL 32 3HG2 VAL 32 17.941 -18.539 -0.807 169 HG22 VAL 32 1HG2 VAL 32 17.055 -19.100 0.623 170 HG23 VAL 32 2HG2 VAL 32 16.639 -19.751 -0.981 171 H ASN 33 H ASN 33 13.960 -17.359 -3.666 172 HA ASN 33 HA ASN 33 13.025 -14.584 -3.052 173 HB2 ASN 33 1HB ASN 33 11.801 -14.599 -5.140 174 HB3 ASN 33 2HB ASN 33 13.492 -14.904 -5.461 175 HD21 ASN 33 2HD2 ASN 33 14.131 -16.672 -6.495 176 HD22 ASN 33 1HD2 ASN 33 13.040 -17.920 -7.043 177 H GLN 34 H GLN 34 10.988 -14.232 -2.400 178 HA GLN 34 HA GLN 34 9.068 -16.502 -2.158 179 HB2 GLN 34 1HB GLN 34 9.960 -14.753 0.182 180 HB3 GLN 34 2HB GLN 34 8.591 -15.894 0.258 181 HG2 GLN 34 1HG GLN 34 10.142 -17.721 -0.116 182 HG3 GLN 34 2HG GLN 34 11.496 -16.606 -0.282 183 HE21 GLN 34 2HE2 GLN 34 8.826 -17.150 2.055 184 HE22 GLN 34 1HE2 GLN 34 9.864 -17.146 3.510 185 H HIS 35 H HIS 35 6.957 -15.559 -1.189 186 HA HIS 35 HA HIS 35 6.234 -12.899 -2.368 187 HB2 HIS 35 1HB HIS 35 4.550 -14.964 -0.851 188 HB3 HIS 35 2HB HIS 35 3.990 -13.467 -1.585 189 HD1 HIS 35 HD1 HIS 35 4.332 -13.261 -4.300 190 HD2 HIS 35 HD2 HIS 35 4.391 -17.110 -2.595 191 HE1 HIS 35 HE1 HIS 35 3.878 -14.979 -6.187 192 HE2 HIS 35 HE2 HIS 35 3.849 -17.243 -5.126 193 H LEU 36 H LEU 36 7.443 -11.513 -1.167 194 HA LEU 36 HA LEU 36 7.545 -11.879 1.732 195 HB2 LEU 36 1HB LEU 36 8.764 -9.799 -0.074 196 HB3 LEU 36 2HB LEU 36 9.089 -9.980 1.645 197 HG LEU 36 HG LEU 36 9.892 -11.984 -0.451 198 HD11 LEU 36 1HD1 LEU 36 12.111 -10.957 -0.226 199 HD12 LEU 36 2HD1 LEU 36 11.401 -9.714 0.859 200 HD13 LEU 36 3HD1 LEU 36 10.885 -9.837 -0.840 201 HD21 LEU 36 3HD2 LEU 36 11.483 -12.788 1.242 202 HD22 LEU 36 1HD2 LEU 36 9.773 -13.061 1.645 203 HD23 LEU 36 2HD2 LEU 36 10.652 -11.757 2.470 204 H CYS 37 H CYS 37 5.901 -11.219 2.849 205 HA CYS 37 HA CYS 37 4.394 -8.808 1.791 206 HB2 CYS 37 1HB CYS 37 3.441 -10.941 3.716 207 HB3 CYS 37 2HB CYS 37 2.495 -9.648 2.975 208 H GLY 38 H GLY 38 4.322 -9.953 5.233 209 HA2 GLY 38 1HA GLY 38 4.844 -7.046 5.912 210 HA3 GLY 38 2HA GLY 38 4.233 -8.297 7.001 211 H SER 39 H SER 39 5.558 -9.502 8.277 212 HA SER 39 HA SER 39 7.930 -8.301 9.025 213 HB2 SER 39 1HB SER 39 6.876 -9.842 10.571 214 HB3 SER 39 2HB SER 39 7.215 -11.202 9.461 215 HG SER 39 HG SER 39 8.762 -10.967 11.183 216 H HIS 40 H HIS 40 7.499 -11.077 6.864 217 HA HIS 40 HA HIS 40 10.231 -11.649 6.470 218 HB2 HIS 40 1HB HIS 40 7.826 -12.151 4.755 219 HB3 HIS 40 2HB HIS 40 9.440 -12.621 4.237 220 HD1 HIS 40 HD1 HIS 40 7.303 -14.835 4.739 221 HD2 HIS 40 HD2 HIS 40 9.967 -13.431 7.636 222 HE1 HIS 40 HE1 HIS 40 7.474 -16.648 6.537 223 HE2 HIS 40 HE2 HIS 40 9.222 -15.821 8.201 224 H LEU 41 H LEU 41 8.246 -9.086 4.983 225 HA LEU 41 HA LEU 41 10.058 -8.606 2.814 226 HB2 LEU 41 1HB LEU 41 7.572 -7.864 3.005 227 HB3 LEU 41 2HB LEU 41 8.127 -6.604 4.081 228 HG LEU 41 HG LEU 41 9.110 -6.869 1.225 229 HD11 LEU 41 1HD1 LEU 41 7.394 -5.131 0.656 230 HD12 LEU 41 2HD1 LEU 41 6.714 -5.309 2.256 231 HD13 LEU 41 3HD1 LEU 41 6.689 -6.681 1.152 232 HD21 LEU 41 3HD2 LEU 41 9.352 -4.287 1.628 233 HD22 LEU 41 1HD2 LEU 41 10.566 -5.402 2.315 234 HD23 LEU 41 2HD2 LEU 41 9.273 -4.714 3.385 235 H VAL 42 H VAL 42 9.558 -6.940 5.928 236 HA VAL 42 HA VAL 42 11.743 -5.123 5.461 237 HB VAL 42 HB VAL 42 11.515 -4.502 7.918 238 HG11 VAL 42 1HG1 VAL 42 9.213 -3.645 7.751 239 HG12 VAL 42 2HG1 VAL 42 10.178 -3.345 6.296 240 HG13 VAL 42 3HG1 VAL 42 8.955 -4.635 6.309 241 HG21 VAL 42 3HG2 VAL 42 9.615 -5.593 9.206 242 HG22 VAL 42 1HG2 VAL 42 9.313 -6.684 7.818 243 HG23 VAL 42 2HG2 VAL 42 10.878 -6.800 8.745 244 H GLU 43 H GLU 43 11.503 -8.330 6.824 245 HA GLU 43 HA GLU 43 14.132 -8.352 8.062 246 HB2 GLU 43 1HB GLU 43 12.270 -9.868 8.630 247 HB3 GLU 43 2HB GLU 43 12.479 -10.703 7.074 248 HG2 GLU 43 1HG GLU 43 14.693 -11.371 7.784 249 HG3 GLU 43 2HG GLU 43 14.602 -10.393 9.241 250 HE2 GLU 43 HE2 GLU 43 12.764 -13.880 8.902 251 H ALA 44 H ALA 44 12.954 -9.397 4.846 252 HA ALA 44 HA ALA 44 15.549 -10.362 4.017 253 HB1 ALA 44 3HB ALA 44 13.632 -11.171 2.885 254 HB2 ALA 44 1HB ALA 44 13.072 -9.517 2.533 255 HB3 ALA 44 2HB ALA 44 14.533 -10.131 1.757 256 H LEU 45 H LEU 45 13.761 -7.218 3.831 257 HA LEU 45 HA LEU 45 15.763 -5.973 2.300 258 HB2 LEU 45 1HB LEU 45 13.369 -5.206 2.578 259 HB3 LEU 45 2HB LEU 45 13.795 -4.618 4.196 260 HG LEU 45 HG LEU 45 15.438 -3.071 3.146 261 HD11 LEU 45 1HD1 LEU 45 14.391 -4.177 0.504 262 HD12 LEU 45 2HD1 LEU 45 16.063 -4.134 1.066 263 HD13 LEU 45 3HD1 LEU 45 15.233 -2.628 0.688 264 HD21 LEU 45 3HD2 LEU 45 12.636 -2.877 1.894 265 HD22 LEU 45 1HD2 LEU 45 13.781 -1.545 2.254 266 HD23 LEU 45 2HD2 LEU 45 13.031 -2.444 3.584 267 H TYR 46 H TYR 46 15.484 -6.545 5.774 268 HA TYR 46 HA TYR 46 17.641 -4.856 6.514 269 HB2 TYR 46 1HB TYR 46 16.186 -5.708 8.213 270 HB3 TYR 46 2HB TYR 46 16.521 -7.377 7.722 271 HD1 TYR 46 HD1 TYR 46 18.038 -4.309 9.231 272 HD2 TYR 46 HD2 TYR 46 18.391 -8.552 8.552 273 HE1 TYR 46 HE1 TYR 46 19.956 -4.386 10.795 274 HE2 TYR 46 HE2 TYR 46 20.373 -8.601 10.033 275 HH TYR 46 HH TYR 46 21.783 -7.425 11.404 276 H LEU 47 H LEU 47 17.514 -8.252 5.338 277 HA LEU 47 HA LEU 47 20.315 -8.775 5.786 278 HB2 LEU 47 1HB LEU 47 18.457 -9.902 3.642 279 HB3 LEU 47 2HB LEU 47 20.094 -10.515 4.017 280 HG LEU 47 HG LEU 47 17.817 -10.301 6.044 281 HD11 LEU 47 1HD1 LEU 47 17.491 -12.801 5.790 282 HD12 LEU 47 2HD1 LEU 47 18.828 -12.866 4.630 283 HD13 LEU 47 3HD1 LEU 47 17.336 -12.063 4.171 284 HD21 LEU 47 3HD2 LEU 47 20.622 -11.368 6.105 285 HD22 LEU 47 1HD2 LEU 47 19.414 -12.111 7.168 286 HD23 LEU 47 2HD2 LEU 47 19.769 -10.401 7.296 287 H VAL 48 H VAL 48 18.501 -7.265 3.133 288 HA VAL 48 HA VAL 48 20.800 -7.189 1.324 289 HB VAL 48 HB VAL 48 17.978 -5.931 1.165 290 HG11 VAL 48 1HG1 VAL 48 19.574 -4.702 -0.265 291 HG12 VAL 48 2HG1 VAL 48 20.018 -6.227 -1.065 292 HG13 VAL 48 3HG1 VAL 48 18.363 -5.588 -1.165 293 HG21 VAL 48 3HG2 VAL 48 19.216 -8.454 -0.055 294 HG22 VAL 48 1HG2 VAL 48 18.057 -8.365 1.272 295 HG23 VAL 48 2HG2 VAL 48 17.562 -7.915 -0.356 296 H CYS 49 H CYS 49 18.877 -4.668 3.088 297 HA CYS 49 HA CYS 49 21.343 -3.011 3.117 298 HB2 CYS 49 1HB CYS 49 18.760 -2.125 1.796 299 HB3 CYS 49 2HB CYS 49 20.003 -1.002 2.331 300 H GLY 50 H GLY 50 20.394 -4.246 5.296 301 HA2 GLY 50 1HA GLY 50 18.566 -2.480 6.706 302 HA3 GLY 50 2HA GLY 50 19.462 -3.841 7.365 303 H GLU 51 H GLU 51 20.517 -0.835 5.783 304 HA GLU 51 HA GLU 51 22.890 -0.583 7.233 305 HB2 GLU 51 1HB GLU 51 21.409 0.938 5.297 306 HB3 GLU 51 2HB GLU 51 21.782 2.012 6.630 307 HG2 GLU 51 1HG GLU 51 23.524 2.224 5.009 308 HG3 GLU 51 2HG GLU 51 24.243 1.407 6.433 309 HE2 GLU 51 HE2 GLU 51 25.437 -0.490 3.688 310 H GLN 52 H GLN 52 19.776 1.075 7.992 311 HA GLN 52 HA GLN 52 20.872 1.959 10.633 312 HB2 GLN 52 1HB GLN 52 18.161 2.470 9.312 313 HB3 GLN 52 2HB GLN 52 18.828 3.303 10.715 314 HG2 GLN 52 1HG GLN 52 19.517 4.904 9.197 315 HG3 GLN 52 2HG GLN 52 20.776 3.783 8.757 316 HE21 GLN 52 2HE2 GLN 52 18.684 5.814 7.460 317 HE22 GLN 52 1HE2 GLN 52 18.245 4.930 5.974 318 H GLY 53 H GLY 53 19.050 -0.524 9.157 319 HA2 GLY 53 1HA GLY 53 18.008 -2.395 10.128 320 HA3 GLY 53 2HA GLY 53 18.117 -1.638 11.726 321 H PHE 54 H PHE 54 15.818 -2.969 10.447 322 HA PHE 54 HA PHE 54 13.903 -0.684 10.235 323 HB2 PHE 54 1HB PHE 54 13.680 -3.611 9.463 324 HB3 PHE 54 2HB PHE 54 12.397 -2.405 9.255 325 HD1 PHE 54 HD1 PHE 54 12.558 -0.659 7.543 326 HD2 PHE 54 HD2 PHE 54 15.630 -3.617 7.985 327 HE1 PHE 54 HE1 PHE 54 13.602 0.158 5.420 328 HE2 PHE 54 HE2 PHE 54 16.580 -2.930 5.739 329 HZ PHE 54 HZ PHE 54 15.620 -0.987 4.508 330 H PHE 55 H PHE 55 14.550 -3.679 12.042 331 HA PHE 55 HA PHE 55 13.184 -2.643 14.339 332 HB2 PHE 55 1HB PHE 55 11.356 -3.668 12.675 333 HB3 PHE 55 2HB PHE 55 11.927 -5.202 13.385 334 HD1 PHE 55 HD1 PHE 55 10.425 -1.901 14.206 335 HD2 PHE 55 HD2 PHE 55 11.270 -5.938 15.544 336 HE1 PHE 55 HE1 PHE 55 9.010 -1.528 16.187 337 HE2 PHE 55 HE2 PHE 55 9.843 -5.601 17.529 338 HZ PHE 55 HZ PHE 55 8.742 -3.364 17.893 339 H TYR 56 H TYR 56 13.453 -4.253 16.149 340 HA TYR 56 HA TYR 56 15.087 -6.618 15.546 341 HB2 TYR 56 1HB TYR 56 16.750 -4.733 15.722 342 HB3 TYR 56 2HB TYR 56 16.185 -4.459 17.377 343 HD1 TYR 56 HD1 TYR 56 17.385 -7.406 15.291 344 HD2 TYR 56 HD2 TYR 56 17.510 -5.372 19.136 345 HE1 TYR 56 HE1 TYR 56 18.932 -9.090 16.147 346 HE2 TYR 56 HE2 TYR 56 19.008 -7.177 19.963 347 HH TYR 56 HH TYR 56 20.208 -9.807 17.982 348 H THR 57 H THR 57 15.280 -7.973 17.613 349 HA THR 57 HA THR 57 13.224 -7.225 19.660 350 HB THR 57 HB THR 57 12.262 -9.046 18.383 351 HG1 THR 57 HG1 THR 57 12.052 -9.305 20.627 352 HG21 THR 57 1HG2 THR 57 14.984 -10.450 18.696 353 HG22 THR 57 2HG2 THR 57 14.168 -9.968 17.162 354 HG23 THR 57 3HG2 THR 57 13.489 -11.268 18.174 355 HA PRO 58 HA PRO 58 17.302 -7.649 21.706 356 HB2 PRO 58 1HB PRO 58 17.037 -5.604 23.462 357 HB3 PRO 58 2HB PRO 58 17.546 -5.286 21.782 358 HG2 PRO 58 1HG PRO 58 14.833 -4.991 22.954 359 HG3 PRO 58 2HG PRO 58 15.692 -3.862 21.888 360 HD2 PRO 58 1HD PRO 58 13.879 -5.559 20.817 361 HD3 PRO 58 2HD PRO 58 15.450 -5.157 19.965 362 H LYS 59 H LYS 59 17.852 -8.322 23.815 363 HA LYS 59 HA LYS 59 15.567 -8.647 25.713 364 HB2 LYS 59 1HB LYS 59 15.685 -10.689 24.243 365 HB3 LYS 59 2HB LYS 59 17.317 -11.001 24.863 366 HG2 LYS 59 1HG LYS 59 16.473 -11.289 27.090 367 HG3 LYS 59 2HG LYS 59 14.888 -10.695 26.611 368 HD2 LYS 59 1HD LYS 59 16.116 -13.233 25.512 369 HD3 LYS 59 2HD LYS 59 15.116 -13.189 26.968 370 HE2 LYS 59 1HE LYS 59 13.304 -12.140 25.619 371 HE3 LYS 59 2HE LYS 59 14.221 -12.476 24.130 372 HZ1 LYS 59 3HZ LYS 59 14.265 -14.886 25.089 373 HZ2 LYS 59 1HZ LYS 59 12.969 -14.359 24.269 374 HZ3 LYS 59 2HZ LYS 59 12.967 -14.423 25.972 375 H THR 60 H THR 60 19.008 -9.751 25.281 376 HA THR 60 HA THR 60 19.487 -9.323 28.116 377 HB THR 60 HB THR 60 21.835 -10.035 27.379 378 HG1 THR 60 HG1 THR 60 22.201 -9.799 25.351 379 HG21 THR 60 1HG2 THR 60 20.206 -11.880 28.007 380 HG22 THR 60 2HG2 THR 60 21.235 -12.386 26.633 381 HG23 THR 60 3HG2 THR 60 19.571 -11.887 26.331 382 HXT THR 60 H02 THR 60 21.062 -6.443 28.048 Start of MODEL 23 1 H1 GLY 1 2H0 GLY 1 1.592 0.851 -3.796 2 H2 GLY 1 1H0 GLY 1 0.504 -0.237 -3.244 3 HA2 GLY 1 1HA GLY 1 2.498 1.266 -1.586 4 HA3 GLY 1 2HA GLY 1 1.259 0.210 -0.956 5 H ILE 2 H ILE 2 4.267 0.351 -0.857 6 HA ILE 2 HA ILE 2 5.513 -1.663 -2.281 7 HB ILE 2 HB ILE 2 6.772 -0.136 -0.796 8 HG12 ILE 2 1HG1 ILE 2 7.202 -3.081 -0.334 9 HG13 ILE 2 2HG1 ILE 2 7.996 -2.019 -1.497 10 HG21 ILE 2 1HG2 ILE 2 5.955 -1.777 1.667 11 HG22 ILE 2 2HG2 ILE 2 6.782 -0.171 1.594 12 HG23 ILE 2 3HG2 ILE 2 5.056 -0.302 1.168 13 HD11 ILE 2 3HD1 ILE 2 9.701 -2.300 0.098 14 HD12 ILE 2 1HD1 ILE 2 9.008 -0.730 0.567 15 HD13 ILE 2 2HD1 ILE 2 8.586 -2.181 1.458 16 H VAL 3 H VAL 3 3.656 -2.277 0.807 17 HA VAL 3 HA VAL 3 4.364 -5.001 0.872 18 HB VAL 3 HB VAL 3 1.786 -3.773 1.920 19 HG11 VAL 3 1HG1 VAL 3 1.717 -5.666 3.466 20 HG12 VAL 3 2HG1 VAL 3 1.854 -6.342 1.845 21 HG13 VAL 3 3HG1 VAL 3 3.292 -6.260 2.888 22 HG21 VAL 3 3HG2 VAL 3 4.540 -4.144 3.203 23 HG22 VAL 3 1HG2 VAL 3 3.759 -2.577 2.807 24 HG23 VAL 3 2HG2 VAL 3 3.077 -3.635 4.064 25 H GLU 4 H GLU 4 1.296 -3.599 -0.426 26 HA GLU 4 HA GLU 4 0.316 -6.202 -1.236 27 HB2 GLU 4 1HB GLU 4 -1.351 -5.007 -2.556 28 HB3 GLU 4 2HB GLU 4 -1.273 -4.335 -0.962 29 HG2 GLU 4 1HG GLU 4 -1.500 -2.422 -2.282 30 HG3 GLU 4 2HG GLU 4 0.277 -2.516 -2.026 31 HE2 GLU 4 HE2 GLU 4 0.283 -1.907 -5.366 32 H GLN 5 H GLN 5 2.295 -3.738 -2.812 33 HA GLN 5 HA GLN 5 2.247 -4.904 -5.394 34 HB2 GLN 5 1HB GLN 5 2.929 -2.626 -4.787 35 HB3 GLN 5 2HB GLN 5 4.419 -3.236 -4.054 36 HG2 GLN 5 1HG GLN 5 5.083 -4.195 -6.247 37 HG3 GLN 5 2HG GLN 5 3.611 -3.508 -6.950 38 HE21 GLN 5 2HE2 GLN 5 4.103 -1.761 -8.152 39 HE22 GLN 5 1HE2 GLN 5 5.191 -0.478 -7.641 40 H CYS 6 H CYS 6 4.450 -5.512 -2.530 41 HA CYS 6 HA CYS 6 5.926 -7.472 -4.183 42 HB2 CYS 6 1HB CYS 6 6.111 -6.675 -1.294 43 HB3 CYS 6 2HB CYS 6 7.143 -7.948 -1.963 44 H CYS 7 H CYS 7 3.183 -7.621 -2.118 45 HA CYS 7 HA CYS 7 3.350 -10.520 -1.647 46 HB2 CYS 7 1HB CYS 7 1.151 -8.508 -1.176 47 HB3 CYS 7 2HB CYS 7 1.023 -10.203 -0.855 48 H THR 8 H THR 8 1.416 -8.436 -3.919 49 HA THR 8 HA THR 8 -0.039 -10.707 -4.874 50 HB THR 8 HB THR 8 -0.791 -8.255 -4.723 51 HG1 THR 8 HG1 THR 8 -2.155 -8.492 -6.418 52 HG21 THR 8 1HG2 THR 8 1.321 -7.337 -5.913 53 HG22 THR 8 2HG2 THR 8 -0.219 -6.709 -6.513 54 HG23 THR 8 3HG2 THR 8 0.644 -7.955 -7.429 55 H SER 9 H SER 9 2.896 -9.134 -5.810 56 HA SER 9 HA SER 9 3.402 -11.303 -7.708 57 HB2 SER 9 1HB SER 9 3.791 -8.368 -8.110 58 HB3 SER 9 2HB SER 9 4.504 -9.665 -9.193 59 HG SER 9 HG SER 9 2.178 -10.339 -9.163 60 H ILE 10 H ILE 10 5.577 -11.911 -7.691 61 HA ILE 10 HA ILE 10 6.793 -11.322 -5.084 62 HB ILE 10 HB ILE 10 7.916 -12.854 -7.502 63 HG12 ILE 10 1HG1 ILE 10 6.779 -13.881 -4.894 64 HG13 ILE 10 2HG1 ILE 10 5.828 -13.664 -6.369 65 HG21 ILE 10 1HG2 ILE 10 9.673 -11.859 -5.949 66 HG22 ILE 10 2HG2 ILE 10 8.938 -12.833 -4.631 67 HG23 ILE 10 3HG2 ILE 10 9.658 -13.662 -6.038 68 HD11 ILE 10 3HD1 ILE 10 8.001 -15.666 -5.760 69 HD12 ILE 10 1HD1 ILE 10 6.380 -15.972 -6.331 70 HD13 ILE 10 2HD1 ILE 10 7.588 -15.296 -7.437 71 H CYS 11 H CYS 11 7.862 -9.495 -4.700 72 HA CYS 11 HA CYS 11 9.055 -7.826 -6.723 73 HB2 CYS 11 1HB CYS 11 9.314 -8.020 -3.692 74 HB3 CYS 11 2HB CYS 11 10.425 -7.017 -4.641 75 H SER 12 H SER 12 10.961 -8.052 -7.858 76 HA SER 12 HA SER 12 12.541 -10.396 -7.258 77 HB2 SER 12 1HB SER 12 13.999 -9.549 -9.050 78 HB3 SER 12 2HB SER 12 12.348 -9.603 -9.592 79 HG SER 12 HG SER 12 12.531 -7.515 -9.957 80 H LEU 13 H LEU 13 14.780 -10.321 -6.586 81 HA LEU 13 HA LEU 13 15.216 -8.692 -4.345 82 HB2 LEU 13 1HB LEU 13 16.257 -10.858 -4.788 83 HB3 LEU 13 2HB LEU 13 17.300 -10.172 -6.037 84 HG LEU 13 HG LEU 13 18.265 -8.610 -4.284 85 HD11 LEU 13 1HD1 LEU 13 17.986 -9.230 -1.902 86 HD12 LEU 13 2HD1 LEU 13 16.804 -10.474 -2.355 87 HD13 LEU 13 3HD1 LEU 13 16.431 -8.790 -2.531 88 HD21 LEU 13 3HD2 LEU 13 19.429 -10.557 -5.087 89 HD22 LEU 13 1HD2 LEU 13 18.505 -11.617 -3.995 90 HD23 LEU 13 2HD2 LEU 13 19.648 -10.433 -3.346 91 H TYR 14 H TYR 14 16.069 -8.236 -7.699 92 HA TYR 14 HA TYR 14 17.936 -6.073 -7.542 93 HB2 TYR 14 1HB TYR 14 17.587 -7.504 -9.609 94 HB3 TYR 14 2HB TYR 14 15.956 -6.849 -9.774 95 HD1 TYR 14 HD2 TYR 14 19.586 -5.530 -9.433 96 HD2 TYR 14 HD1 TYR 14 15.722 -5.045 -11.376 97 HE1 TYR 14 HE2 TYR 14 20.516 -3.663 -10.776 98 HE2 TYR 14 HE1 TYR 14 16.666 -3.149 -12.678 99 HH TYR 14 HH TYR 14 18.547 -1.694 -12.965 100 H GLN 15 H GLN 15 14.302 -6.244 -7.757 101 HA GLN 15 HA GLN 15 14.221 -3.265 -7.896 102 HB2 GLN 15 1HB GLN 15 12.530 -4.925 -8.927 103 HB3 GLN 15 2HB GLN 15 12.012 -5.243 -7.273 104 HG2 GLN 15 1HG GLN 15 10.473 -3.758 -8.118 105 HG3 GLN 15 2HG GLN 15 11.573 -2.715 -7.193 106 HE21 GLN 15 2HE2 GLN 15 10.391 -3.692 -10.361 107 HE22 GLN 15 1HE2 GLN 15 11.102 -2.340 -11.292 108 H LEU 16 H LEU 16 14.088 -5.866 -5.487 109 HA LEU 16 HA LEU 16 12.967 -4.340 -3.323 110 HB2 LEU 16 1HB LEU 16 13.184 -6.765 -3.505 111 HB3 LEU 16 2HB LEU 16 14.899 -6.624 -3.242 112 HG LEU 16 HG LEU 16 13.444 -5.350 -1.074 113 HD11 LEU 16 1HD1 LEU 16 11.791 -7.181 -1.675 114 HD12 LEU 16 2HD1 LEU 16 12.508 -7.426 -0.105 115 HD13 LEU 16 3HD1 LEU 16 13.054 -8.380 -1.446 116 HD21 LEU 16 3HD2 LEU 16 15.001 -6.504 0.302 117 HD22 LEU 16 1HD2 LEU 16 15.884 -5.952 -1.119 118 HD23 LEU 16 2HD2 LEU 16 15.400 -7.674 -0.991 119 H GLU 17 H GLU 17 16.261 -4.793 -4.497 120 HA GLU 17 HA GLU 17 17.676 -3.427 -2.472 121 HB2 GLU 17 1HB GLU 17 18.094 -3.775 -5.420 122 HB3 GLU 17 2HB GLU 17 19.231 -2.878 -4.435 123 HG2 GLU 17 1HG GLU 17 18.528 -5.709 -3.576 124 HG3 GLU 17 2HG GLU 17 19.561 -5.501 -5.024 125 HE2 GLU 17 HE2 GLU 17 20.945 -4.152 -1.586 126 H ASN 18 H ASN 18 15.592 -2.204 -5.032 127 HA ASN 18 HA ASN 18 16.702 0.461 -5.158 128 HB2 ASN 18 1HB ASN 18 15.208 -0.674 -6.868 129 HB3 ASN 18 2HB ASN 18 13.856 -0.375 -5.722 130 HD21 ASN 18 2HD2 ASN 18 16.106 1.108 -7.980 131 HD22 ASN 18 1HD2 ASN 18 15.342 2.717 -7.991 132 H TYR 19 H TYR 19 14.583 -1.166 -2.888 133 HA TYR 19 HA TYR 19 13.386 1.288 -1.850 134 HB2 TYR 19 1HB TYR 19 13.456 -1.647 -1.007 135 HB3 TYR 19 2HB TYR 19 12.547 -0.360 -0.097 136 HD1 TYR 19 HD1 TYR 19 10.697 0.772 -1.166 137 HD2 TYR 19 HD2 TYR 19 12.569 -2.514 -3.131 138 HE1 TYR 19 HE1 TYR 19 8.648 0.432 -2.644 139 HE2 TYR 19 HE2 TYR 19 10.551 -2.815 -4.633 140 HH TYR 19 HH TYR 19 8.285 -1.917 -5.112 141 H CYS 20 H CYS 20 16.475 -0.106 -1.595 142 HA CYS 20 HA CYS 20 16.883 0.572 1.218 143 HB2 CYS 20 1HB CYS 20 18.107 -1.321 0.118 144 HB3 CYS 20 2HB CYS 20 18.988 -0.135 -0.900 145 H ASN 21 H ASN 21 16.927 2.694 1.727 146 HA ASN 21 HA ASN 21 18.782 4.488 0.259 147 HB2 ASN 21 1HB ASN 21 16.917 4.688 -1.227 148 HB3 ASN 21 2HB ASN 21 15.759 4.881 0.060 149 HD21 ASN 21 2HD2 ASN 21 18.392 6.375 -1.734 150 HD22 ASN 21 1HD2 ASN 21 18.046 7.963 -1.177 151 HXT ASN 21 H02 ASN 21 16.098 5.083 2.136 152 H1 PHE 31 2H0 PHE 31 17.944 -13.765 -2.911 153 H2 PHE 31 1H0 PHE 31 19.450 -13.945 -2.361 154 HA PHE 31 HA PHE 31 19.029 -16.390 -2.246 155 HB2 PHE 31 1HB PHE 31 17.876 -16.184 -0.091 156 HB3 PHE 31 2HB PHE 31 18.995 -14.795 -0.312 157 HD1 PHE 31 HD1 PHE 31 18.109 -12.517 -0.844 158 HD2 PHE 31 HD2 PHE 31 15.510 -15.909 0.087 159 HE1 PHE 31 HE1 PHE 31 16.249 -10.966 -0.328 160 HE2 PHE 31 HE2 PHE 31 13.657 -14.367 0.525 161 HZ PHE 31 HZ PHE 31 14.004 -11.890 0.313 162 H VAL 32 H VAL 32 16.958 -17.566 -1.096 163 HA VAL 32 HA VAL 32 15.471 -18.405 -3.450 164 HB VAL 32 HB VAL 32 15.992 -20.079 -1.811 165 HG11 VAL 32 1HG1 VAL 32 16.185 -18.783 0.217 166 HG12 VAL 32 2HG1 VAL 32 14.451 -18.435 0.230 167 HG13 VAL 32 3HG1 VAL 32 15.048 -20.089 0.480 168 HG21 VAL 32 3HG2 VAL 32 13.848 -20.451 -2.952 169 HG22 VAL 32 1HG2 VAL 32 13.699 -21.028 -1.269 170 HG23 VAL 32 2HG2 VAL 32 12.952 -19.458 -1.752 171 H ASN 33 H ASN 33 13.829 -17.419 -4.380 172 HA ASN 33 HA ASN 33 12.610 -15.136 -3.105 173 HB2 ASN 33 1HB ASN 33 11.501 -14.747 -5.196 174 HB3 ASN 33 2HB ASN 33 13.122 -15.287 -5.571 175 HD21 ASN 33 2HD2 ASN 33 13.461 -16.986 -6.881 176 HD22 ASN 33 1HD2 ASN 33 12.152 -18.005 -7.546 177 H GLN 34 H GLN 34 10.435 -14.704 -2.522 178 HA GLN 34 HA GLN 34 8.427 -16.834 -2.657 179 HB2 GLN 34 1HB GLN 34 8.053 -16.952 -0.189 180 HB3 GLN 34 2HB GLN 34 9.615 -17.627 -0.681 181 HG2 GLN 34 1HG GLN 34 10.638 -15.450 -0.052 182 HG3 GLN 34 2HG GLN 34 9.053 -14.890 0.494 183 HE21 GLN 34 2HE2 GLN 34 11.624 -17.187 0.995 184 HE22 GLN 34 1HE2 GLN 34 11.223 -17.476 2.690 185 H HIS 35 H HIS 35 6.374 -15.923 -1.273 186 HA HIS 35 HA HIS 35 6.207 -13.075 -2.147 187 HB2 HIS 35 1HB HIS 35 4.123 -14.864 -0.855 188 HB3 HIS 35 2HB HIS 35 3.858 -13.174 -1.345 189 HD1 HIS 35 HD1 HIS 35 4.088 -12.714 -4.008 190 HD2 HIS 35 HD2 HIS 35 3.768 -16.729 -2.838 191 HE1 HIS 35 HE1 HIS 35 3.375 -13.975 -6.051 192 HE2 HIS 35 HE2 HIS 35 3.227 -16.438 -5.326 193 H LEU 36 H LEU 36 7.597 -11.942 -0.910 194 HA LEU 36 HA LEU 36 7.949 -12.478 1.891 195 HB2 LEU 36 1HB LEU 36 8.711 -10.194 0.113 196 HB3 LEU 36 2HB LEU 36 9.201 -10.289 1.807 197 HG LEU 36 HG LEU 36 9.941 -12.388 -0.247 198 HD11 LEU 36 1HD1 LEU 36 11.686 -10.027 0.647 199 HD12 LEU 36 2HD1 LEU 36 10.712 -10.010 -0.858 200 HD13 LEU 36 3HD1 LEU 36 12.019 -11.200 -0.657 201 HD21 LEU 36 3HD2 LEU 36 10.277 -13.190 2.029 202 HD22 LEU 36 1HD2 LEU 36 11.094 -11.702 2.486 203 HD23 LEU 36 2HD2 LEU 36 11.849 -12.800 1.347 204 H CYS 37 H CYS 37 5.974 -12.301 2.992 205 HA CYS 37 HA CYS 37 4.863 -9.527 3.316 206 HB2 CYS 37 1HB CYS 37 3.260 -12.133 3.172 207 HB3 CYS 37 2HB CYS 37 2.634 -10.469 3.332 208 H GLY 38 H GLY 38 3.640 -9.472 5.498 209 HA2 GLY 38 1HA GLY 38 3.582 -9.862 7.728 210 HA3 GLY 38 2HA GLY 38 3.714 -11.592 7.395 211 H SER 39 H SER 39 5.593 -8.580 7.727 212 HA SER 39 HA SER 39 7.612 -8.120 8.655 213 HB2 SER 39 1HB SER 39 7.510 -10.891 9.971 214 HB3 SER 39 2HB SER 39 8.542 -9.512 10.352 215 HG SER 39 HG SER 39 6.566 -9.610 11.612 216 H HIS 40 H HIS 40 7.502 -11.106 6.831 217 HA HIS 40 HA HIS 40 10.315 -11.532 6.535 218 HB2 HIS 40 1HB HIS 40 7.993 -12.162 4.756 219 HB3 HIS 40 2HB HIS 40 9.662 -12.429 4.259 220 HD1 HIS 40 HD1 HIS 40 10.879 -14.521 4.967 221 HD2 HIS 40 HD2 HIS 40 7.371 -13.814 7.191 222 HE1 HIS 40 HE1 HIS 40 10.505 -16.544 6.515 223 HE2 HIS 40 HE2 HIS 40 8.423 -16.089 7.802 224 H LEU 41 H LEU 41 8.255 -9.288 4.723 225 HA LEU 41 HA LEU 41 10.124 -8.710 2.660 226 HB2 LEU 41 1HB LEU 41 7.662 -8.092 2.853 227 HB3 LEU 41 2HB LEU 41 8.132 -6.795 3.906 228 HG LEU 41 HG LEU 41 9.150 -5.530 2.138 229 HD11 LEU 41 1HD1 LEU 41 9.249 -6.336 -0.193 230 HD12 LEU 41 2HD1 LEU 41 8.560 -7.921 0.306 231 HD13 LEU 41 3HD1 LEU 41 10.193 -7.421 0.854 232 HD21 LEU 41 3HD2 LEU 41 6.563 -5.722 2.356 233 HD22 LEU 41 1HD2 LEU 41 6.657 -6.769 0.906 234 HD23 LEU 41 2HD2 LEU 41 7.193 -5.052 0.859 235 H VAL 42 H VAL 42 9.604 -6.957 5.749 236 HA VAL 42 HA VAL 42 11.728 -5.129 5.161 237 HB VAL 42 HB VAL 42 11.542 -4.518 7.565 238 HG11 VAL 42 1HG1 VAL 42 10.191 -3.510 5.680 239 HG12 VAL 42 2HG1 VAL 42 8.849 -4.566 6.155 240 HG13 VAL 42 3HG1 VAL 42 9.469 -3.324 7.295 241 HG21 VAL 42 3HG2 VAL 42 9.149 -6.418 7.627 242 HG22 VAL 42 1HG2 VAL 42 10.717 -6.762 8.392 243 HG23 VAL 42 2HG2 VAL 42 9.718 -5.363 8.939 244 H GLU 43 H GLU 43 11.484 -8.254 6.794 245 HA GLU 43 HA GLU 43 14.112 -8.090 8.026 246 HB2 GLU 43 1HB GLU 43 11.981 -9.874 8.131 247 HB3 GLU 43 2HB GLU 43 13.182 -10.820 7.276 248 HG2 GLU 43 1HG GLU 43 13.600 -9.469 9.955 249 HG3 GLU 43 2HG GLU 43 13.154 -11.153 9.713 250 HE2 GLU 43 HE2 GLU 43 15.565 -8.901 9.510 251 H ALA 44 H ALA 44 12.942 -9.365 4.838 252 HA ALA 44 HA ALA 44 15.479 -10.400 3.998 253 HB1 ALA 44 3HB ALA 44 13.105 -9.324 2.469 254 HB2 ALA 44 1HB ALA 44 14.545 -10.017 1.699 255 HB3 ALA 44 2HB ALA 44 13.552 -11.021 2.769 256 H LEU 45 H LEU 45 13.874 -7.243 3.733 257 HA LEU 45 HA LEU 45 15.846 -5.991 2.088 258 HB2 LEU 45 1HB LEU 45 13.335 -5.381 3.012 259 HB3 LEU 45 2HB LEU 45 14.280 -4.373 4.060 260 HG LEU 45 HG LEU 45 14.207 -4.243 1.057 261 HD11 LEU 45 1HD1 LEU 45 13.030 -2.102 1.577 262 HD12 LEU 45 2HD1 LEU 45 12.934 -2.643 3.268 263 HD13 LEU 45 3HD1 LEU 45 12.141 -3.577 1.959 264 HD21 LEU 45 3HD2 LEU 45 16.381 -3.479 1.794 265 HD22 LEU 45 1HD2 LEU 45 15.650 -2.444 3.030 266 HD23 LEU 45 2HD2 LEU 45 15.413 -2.091 1.323 267 H TYR 46 H TYR 46 15.442 -6.277 5.635 268 HA TYR 46 HA TYR 46 17.743 -4.691 6.342 269 HB2 TYR 46 1HB TYR 46 15.985 -5.172 7.978 270 HB3 TYR 46 2HB TYR 46 16.309 -6.917 7.798 271 HD1 TYR 46 HD1 TYR 46 17.617 -3.735 9.265 272 HD2 TYR 46 HD2 TYR 46 18.095 -8.050 8.883 273 HE1 TYR 46 HE1 TYR 46 19.389 -3.683 11.005 274 HE2 TYR 46 HE2 TYR 46 19.875 -8.006 10.706 275 HH TYR 46 HH TYR 46 21.167 -6.643 12.098 276 H LEU 47 H LEU 47 17.397 -8.187 5.630 277 HA LEU 47 HA LEU 47 20.038 -8.871 6.456 278 HB2 LEU 47 1HB LEU 47 17.996 -10.153 4.645 279 HB3 LEU 47 2HB LEU 47 19.618 -10.868 4.821 280 HG LEU 47 HG LEU 47 17.775 -10.405 7.181 281 HD11 LEU 47 1HD1 LEU 47 17.046 -12.621 6.982 282 HD12 LEU 47 2HD1 LEU 47 18.154 -12.967 5.636 283 HD13 LEU 47 3HD1 LEU 47 16.775 -11.880 5.432 284 HD21 LEU 47 3HD2 LEU 47 19.206 -12.347 8.143 285 HD22 LEU 47 1HD2 LEU 47 19.968 -10.755 8.029 286 HD23 LEU 47 2HD2 LEU 47 20.357 -12.003 6.824 287 H VAL 48 H VAL 48 18.696 -7.762 3.355 288 HA VAL 48 HA VAL 48 21.340 -8.160 2.040 289 HB VAL 48 HB VAL 48 19.195 -8.732 0.910 290 HG11 VAL 48 1HG1 VAL 48 17.683 -7.170 0.068 291 HG12 VAL 48 2HG1 VAL 48 17.880 -6.697 1.759 292 HG13 VAL 48 3HG1 VAL 48 18.705 -5.788 0.452 293 HG21 VAL 48 3HG2 VAL 48 21.188 -8.371 -0.453 294 HG22 VAL 48 1HG2 VAL 48 19.763 -7.692 -1.298 295 HG23 VAL 48 2HG2 VAL 48 20.909 -6.602 -0.473 296 H CYS 49 H CYS 49 19.570 -5.379 3.367 297 HA CYS 49 HA CYS 49 21.915 -3.663 2.852 298 HB2 CYS 49 1HB CYS 49 20.230 -3.742 0.849 299 HB3 CYS 49 2HB CYS 49 19.137 -2.800 1.871 300 H GLY 50 H GLY 50 20.473 -4.676 5.339 301 HA2 GLY 50 1HA GLY 50 18.977 -2.427 6.396 302 HA3 GLY 50 2HA GLY 50 19.624 -3.813 7.304 303 H GLU 51 H GLU 51 22.245 -3.661 7.349 304 HA GLU 51 HA GLU 51 24.019 -2.589 8.281 305 HB2 GLU 51 1HB GLU 51 23.808 -1.956 5.822 306 HB3 GLU 51 2HB GLU 51 23.375 -0.348 6.359 307 HG2 GLU 51 1HG GLU 51 25.676 -0.466 7.672 308 HG3 GLU 51 2HG GLU 51 26.017 -1.852 6.627 309 HE2 GLU 51 HE2 GLU 51 26.012 0.175 3.779 310 H GLN 52 H GLN 52 22.048 -2.121 10.049 311 HA GLN 52 HA GLN 52 21.414 -0.823 11.881 312 HB2 GLN 52 1HB GLN 52 23.834 0.945 11.252 313 HB3 GLN 52 2HB GLN 52 22.984 0.695 12.781 314 HG2 GLN 52 1HG GLN 52 23.731 -1.693 12.851 315 HG3 GLN 52 2HG GLN 52 24.721 -1.342 11.407 316 HE21 GLN 52 2HE2 GLN 52 26.736 -0.779 11.734 317 HE22 GLN 52 1HE2 GLN 52 27.372 -0.154 13.234 318 H GLY 53 H GLY 53 20.637 0.036 8.973 319 HA2 GLY 53 1HA GLY 53 19.791 2.825 9.556 320 HA3 GLY 53 2HA GLY 53 19.600 1.917 8.033 321 H PHE 54 H PHE 54 17.485 1.827 7.647 322 HA PHE 54 HA PHE 54 15.291 1.271 7.867 323 HB2 PHE 54 1HB PHE 54 16.808 -0.795 9.146 324 HB3 PHE 54 2HB PHE 54 15.299 -0.558 10.051 325 HD1 PHE 54 HD2 PHE 54 13.162 -0.706 8.926 326 HD2 PHE 54 HD1 PHE 54 16.799 -1.678 6.939 327 HE1 PHE 54 HE2 PHE 54 11.885 -2.088 7.302 328 HE2 PHE 54 HE1 PHE 54 15.536 -3.072 5.266 329 HZ PHE 54 HZ PHE 54 12.992 -3.198 5.408 330 H PHE 55 H PHE 55 16.475 3.359 9.700 331 HA PHE 55 HA PHE 55 15.767 4.926 11.229 332 HB2 PHE 55 1HB PHE 55 13.931 5.048 9.479 333 HB3 PHE 55 2HB PHE 55 12.905 4.050 10.530 334 HD1 PHE 55 HD1 PHE 55 14.845 7.260 10.451 335 HD2 PHE 55 HD2 PHE 55 11.621 5.021 12.165 336 HE1 PHE 55 HE1 PHE 55 14.089 9.368 11.688 337 HE2 PHE 55 HE2 PHE 55 10.886 6.997 13.473 338 HZ PHE 55 HZ PHE 55 12.142 9.200 13.282 339 H TYR 56 H TYR 56 16.554 2.500 12.207 340 HA TYR 56 HA TYR 56 15.179 2.553 14.836 341 HB2 TYR 56 1HB TYR 56 14.597 0.513 13.741 342 HB3 TYR 56 2HB TYR 56 16.323 0.168 13.342 343 HD1 TYR 56 HD1 TYR 56 14.015 0.604 16.328 344 HD2 TYR 56 HD2 TYR 56 17.758 -0.977 14.768 345 HE1 TYR 56 HE1 TYR 56 14.417 -0.620 18.459 346 HE2 TYR 56 HE2 TYR 56 18.168 -2.159 16.912 347 HH TYR 56 HH TYR 56 17.339 -2.607 18.964 348 H THR 57 H THR 57 16.745 2.340 16.614 349 HA THR 57 HA THR 57 19.494 2.998 15.686 350 HB THR 57 HB THR 57 19.569 4.171 17.965 351 HG1 THR 57 HG1 THR 57 17.866 3.693 19.018 352 HG21 THR 57 1HG2 THR 57 19.464 5.505 15.950 353 HG22 THR 57 2HG2 THR 57 18.279 6.160 17.072 354 HG23 THR 57 3HG2 THR 57 17.739 5.170 15.727 355 HA PRO 58 HA PRO 58 19.719 -0.788 18.214 356 HB2 PRO 58 1HB PRO 58 21.938 -1.954 17.000 357 HB3 PRO 58 2HB PRO 58 20.285 -2.120 16.372 358 HG2 PRO 58 1HG PRO 58 22.484 -0.250 15.541 359 HG3 PRO 58 2HG PRO 58 21.393 -1.211 14.549 360 HD2 PRO 58 1HD PRO 58 21.072 1.435 14.958 361 HD3 PRO 58 2HD PRO 58 19.718 0.304 14.711 362 H LYS 59 H LYS 59 20.720 -0.848 20.148 363 HA LYS 59 HA LYS 59 23.576 -0.091 20.372 364 HB2 LYS 59 1HB LYS 59 21.864 1.933 20.580 365 HB3 LYS 59 2HB LYS 59 21.674 1.342 22.222 366 HG2 LYS 59 1HG LYS 59 24.079 1.532 22.546 367 HG3 LYS 59 2HG LYS 59 24.343 2.039 20.868 368 HD2 LYS 59 1HD LYS 59 22.789 3.946 21.268 369 HD3 LYS 59 2HD LYS 59 22.627 3.401 22.930 370 HE2 LYS 59 1HE LYS 59 24.995 3.726 23.362 371 HE3 LYS 59 2HE LYS 59 25.311 4.080 21.641 372 HZ1 LYS 59 3HZ LYS 59 23.581 5.776 23.261 373 HZ2 LYS 59 1HZ LYS 59 24.192 6.072 21.731 374 HZ3 LYS 59 2HZ LYS 59 25.183 6.043 23.014 375 H THR 60 H THR 60 22.159 -2.558 20.860 376 HA THR 60 HA THR 60 21.286 -3.965 22.568 377 HB THR 60 HB THR 60 24.390 -3.951 22.880 378 HG1 THR 60 HG1 THR 60 24.082 -5.105 20.751 379 HG21 THR 60 1HG2 THR 60 24.086 -6.424 22.531 380 HG22 THR 60 2HG2 THR 60 22.288 -6.307 22.496 381 HG23 THR 60 3HG2 THR 60 23.226 -5.926 24.011 382 HXT THR 60 H02 THR 60 20.470 -2.585 23.841 Start of MODEL 24 1 H1 GLY 1 2H0 GLY 1 4.020 2.108 0.442 2 H2 GLY 1 1H0 GLY 1 3.647 2.476 -1.112 3 HA2 GLY 1 1HA GLY 1 2.107 0.452 0.519 4 HA3 GLY 1 2HA GLY 1 1.778 0.866 -1.150 5 H ILE 2 H ILE 2 4.878 0.305 0.299 6 HA ILE 2 HA ILE 2 5.845 -1.444 -1.628 7 HB ILE 2 HB ILE 2 7.442 -0.401 -0.049 8 HG12 ILE 2 1HG1 ILE 2 7.499 -3.386 0.611 9 HG13 ILE 2 2HG1 ILE 2 8.065 -2.717 -0.936 10 HG21 ILE 2 1HG2 ILE 2 6.056 -0.230 2.010 11 HG22 ILE 2 2HG2 ILE 2 6.220 -1.963 2.288 12 HG23 ILE 2 3HG2 ILE 2 7.644 -0.908 2.362 13 HD11 ILE 2 3HD1 ILE 2 9.763 -1.390 0.383 14 HD12 ILE 2 1HD1 ILE 2 9.266 -2.357 1.784 15 HD13 ILE 2 2HD1 ILE 2 9.956 -3.166 0.381 16 H VAL 3 H VAL 3 4.169 -2.399 1.450 17 HA VAL 3 HA VAL 3 4.426 -5.170 1.078 18 HB VAL 3 HB VAL 3 2.225 -3.562 2.376 19 HG11 VAL 3 1HG1 VAL 3 2.870 -6.547 2.711 20 HG12 VAL 3 2HG1 VAL 3 1.639 -5.620 3.643 21 HG13 VAL 3 3HG1 VAL 3 1.421 -5.890 1.875 22 HG21 VAL 3 3HG2 VAL 3 4.540 -3.321 3.387 23 HG22 VAL 3 1HG2 VAL 3 3.438 -4.105 4.498 24 HG23 VAL 3 2HG2 VAL 3 4.617 -5.079 3.575 25 H GLU 4 H GLU 4 1.679 -3.043 -0.067 26 HA GLU 4 HA GLU 4 0.418 -5.289 -1.340 27 HB2 GLU 4 1HB GLU 4 -1.049 -3.707 -2.478 28 HB3 GLU 4 2HB GLU 4 -0.879 -3.200 -0.790 29 HG2 GLU 4 1HG GLU 4 0.647 -1.472 -1.417 30 HG3 GLU 4 2HG GLU 4 0.596 -1.964 -3.107 31 HE2 GLU 4 HE2 GLU 4 -0.507 -0.696 -4.138 32 H GLN 5 H GLN 5 3.001 -3.140 -2.276 33 HA GLN 5 HA GLN 5 2.776 -3.529 -5.116 34 HB2 GLN 5 1HB GLN 5 3.953 -1.738 -3.761 35 HB3 GLN 5 2HB GLN 5 5.280 -2.878 -3.558 36 HG2 GLN 5 1HG GLN 5 6.045 -1.706 -5.391 37 HG3 GLN 5 2HG GLN 5 5.163 -3.029 -6.200 38 HE21 GLN 5 2HE2 GLN 5 5.476 0.337 -5.784 39 HE22 GLN 5 1HE2 GLN 5 4.054 0.850 -6.701 40 H CYS 6 H CYS 6 4.569 -5.102 -2.499 41 HA CYS 6 HA CYS 6 6.099 -6.800 -4.358 42 HB2 CYS 6 1HB CYS 6 7.118 -5.681 -2.406 43 HB3 CYS 6 2HB CYS 6 5.988 -6.494 -1.327 44 H CYS 7 H CYS 7 3.600 -7.152 -1.812 45 HA CYS 7 HA CYS 7 3.683 -10.009 -1.696 46 HB2 CYS 7 1HB CYS 7 2.601 -8.340 -0.132 47 HB3 CYS 7 2HB CYS 7 1.236 -8.273 -1.264 48 H THR 8 H THR 8 2.189 -8.006 -4.168 49 HA THR 8 HA THR 8 0.489 -10.215 -5.009 50 HB THR 8 HB THR 8 -0.219 -7.867 -5.030 51 HG1 THR 8 HG1 THR 8 -1.003 -7.960 -7.244 52 HG21 THR 8 1HG2 THR 8 1.843 -7.557 -7.219 53 HG22 THR 8 2HG2 THR 8 1.774 -6.686 -5.657 54 HG23 THR 8 3HG2 THR 8 0.539 -6.397 -6.907 55 H SER 9 H SER 9 3.747 -9.543 -5.427 56 HA SER 9 HA SER 9 3.765 -11.207 -7.898 57 HB2 SER 9 1HB SER 9 5.530 -8.763 -7.428 58 HB3 SER 9 2HB SER 9 5.403 -9.771 -8.891 59 HG SER 9 HG SER 9 2.977 -9.108 -8.440 60 H ILE 10 H ILE 10 6.314 -11.641 -8.356 61 HA ILE 10 HA ILE 10 7.472 -12.724 -5.834 62 HB ILE 10 HB ILE 10 8.185 -13.183 -8.812 63 HG12 ILE 10 1HG1 ILE 10 6.393 -14.586 -7.880 64 HG13 ILE 10 2HG1 ILE 10 7.805 -15.496 -8.426 65 HG21 ILE 10 1HG2 ILE 10 9.852 -13.782 -6.353 66 HG22 ILE 10 2HG2 ILE 10 10.034 -14.738 -7.834 67 HG23 ILE 10 3HG2 ILE 10 10.337 -12.952 -7.849 68 HD11 ILE 10 3HD1 ILE 10 8.399 -16.157 -6.193 69 HD12 ILE 10 1HD1 ILE 10 7.410 -14.900 -5.441 70 HD13 ILE 10 2HD1 ILE 10 6.651 -16.304 -6.235 71 H CYS 11 H CYS 11 8.671 -11.262 -4.776 72 HA CYS 11 HA CYS 11 9.486 -8.752 -6.002 73 HB2 CYS 11 1HB CYS 11 9.390 -10.001 -3.369 74 HB3 CYS 11 2HB CYS 11 10.892 -9.131 -3.604 75 H SER 12 H SER 12 11.225 -8.691 -7.427 76 HA SER 12 HA SER 12 13.372 -10.614 -7.379 77 HB2 SER 12 1HB SER 12 14.235 -8.233 -8.546 78 HB3 SER 12 2HB SER 12 13.727 -9.690 -9.397 79 HG SER 12 HG SER 12 11.949 -8.752 -9.993 80 H LEU 13 H LEU 13 15.304 -10.437 -6.161 81 HA LEU 13 HA LEU 13 15.320 -8.505 -3.994 82 HB2 LEU 13 1HB LEU 13 17.258 -9.434 -3.179 83 HB3 LEU 13 2HB LEU 13 16.402 -10.787 -3.878 84 HG LEU 13 HG LEU 13 18.801 -9.411 -5.135 85 HD11 LEU 13 1HD1 LEU 13 18.723 -12.133 -3.758 86 HD12 LEU 13 2HD1 LEU 13 19.173 -10.632 -2.935 87 HD13 LEU 13 3HD1 LEU 13 20.143 -11.200 -4.338 88 HD21 LEU 13 3HD2 LEU 13 18.867 -11.413 -6.641 89 HD22 LEU 13 1HD2 LEU 13 17.264 -10.648 -6.753 90 HD23 LEU 13 2HD2 LEU 13 17.455 -12.124 -5.789 91 H TYR 14 H TYR 14 16.535 -8.453 -7.227 92 HA TYR 14 HA TYR 14 18.365 -6.289 -6.830 93 HB2 TYR 14 1HB TYR 14 18.372 -7.608 -8.799 94 HB3 TYR 14 2HB TYR 14 16.706 -7.175 -9.170 95 HD1 TYR 14 HD2 TYR 14 20.134 -5.869 -8.952 96 HD2 TYR 14 HD1 TYR 14 16.043 -5.123 -10.147 97 HE1 TYR 14 HE2 TYR 14 20.896 -3.905 -10.241 98 HE2 TYR 14 HE1 TYR 14 16.810 -3.256 -11.549 99 HH TYR 14 HH TYR 14 18.663 -1.943 -12.213 100 H GLN 15 H GLN 15 14.938 -6.566 -7.307 101 HA GLN 15 HA GLN 15 14.544 -3.694 -7.601 102 HB2 GLN 15 1HB GLN 15 13.040 -5.896 -8.223 103 HB3 GLN 15 2HB GLN 15 12.286 -5.423 -6.710 104 HG2 GLN 15 1HG GLN 15 11.045 -4.208 -8.316 105 HG3 GLN 15 2HG GLN 15 12.150 -3.036 -7.618 106 HE21 GLN 15 2HE2 GLN 15 12.483 -5.512 -10.161 107 HE22 GLN 15 1HE2 GLN 15 13.059 -4.394 -11.363 108 H LEU 16 H LEU 16 14.360 -6.149 -5.064 109 HA LEU 16 HA LEU 16 13.183 -4.475 -3.092 110 HB2 LEU 16 1HB LEU 16 13.479 -6.988 -3.091 111 HB3 LEU 16 2HB LEU 16 15.165 -6.706 -2.578 112 HG LEU 16 HG LEU 16 14.346 -5.550 -0.550 113 HD11 LEU 16 1HD1 LEU 16 11.563 -6.116 -1.662 114 HD12 LEU 16 2HD1 LEU 16 12.267 -4.585 -1.079 115 HD13 LEU 16 3HD1 LEU 16 11.889 -5.866 0.067 116 HD21 LEU 16 3HD2 LEU 16 13.009 -8.287 -0.766 117 HD22 LEU 16 1HD2 LEU 16 13.590 -7.442 0.706 118 HD23 LEU 16 2HD2 LEU 16 14.770 -8.030 -0.475 119 H GLU 17 H GLU 17 16.603 -4.965 -4.025 120 HA GLU 17 HA GLU 17 17.805 -3.367 -1.982 121 HB2 GLU 17 1HB GLU 17 18.570 -4.055 -4.831 122 HB3 GLU 17 2HB GLU 17 19.609 -3.075 -3.793 123 HG2 GLU 17 1HG GLU 17 18.651 -5.653 -2.670 124 HG3 GLU 17 2HG GLU 17 19.819 -5.734 -4.017 125 HE2 GLU 17 HE2 GLU 17 20.968 -4.138 -0.639 126 H ASN 18 H ASN 18 16.021 -2.476 -4.822 127 HA ASN 18 HA ASN 18 17.137 0.147 -5.021 128 HB2 ASN 18 1HB ASN 18 15.820 -1.292 -6.731 129 HB3 ASN 18 2HB ASN 18 14.425 -0.586 -5.993 130 HD21 ASN 18 2HD2 ASN 18 17.193 -0.057 -8.002 131 HD22 ASN 18 1HD2 ASN 18 16.800 1.568 -8.476 132 H TYR 19 H TYR 19 14.871 -1.298 -2.864 133 HA TYR 19 HA TYR 19 13.511 1.244 -2.232 134 HB2 TYR 19 1HB TYR 19 13.594 -1.388 -0.748 135 HB3 TYR 19 2HB TYR 19 12.695 -0.002 -0.201 136 HD1 TYR 19 HD2 TYR 19 12.847 -2.601 -2.838 137 HD2 TYR 19 HD1 TYR 19 10.580 0.596 -1.257 138 HE1 TYR 19 HE2 TYR 19 10.938 -3.356 -4.213 139 HE2 TYR 19 HE1 TYR 19 8.612 -0.171 -2.654 140 HH TYR 19 HH TYR 19 8.761 -2.897 -4.857 141 H CYS 20 H CYS 20 16.672 0.070 -1.736 142 HA CYS 20 HA CYS 20 17.083 1.903 0.528 143 HB2 CYS 20 1HB CYS 20 16.431 -0.538 1.292 144 HB3 CYS 20 2HB CYS 20 17.996 -1.003 0.663 145 H ASN 21 H ASN 21 17.827 2.579 -1.804 146 HA ASN 21 HA ASN 21 20.316 1.302 -2.644 147 HB2 ASN 21 1HB ASN 21 18.311 1.832 -4.176 148 HB3 ASN 21 2HB ASN 21 18.908 3.434 -4.138 149 HD21 ASN 21 2HD2 ASN 21 18.726 1.550 -6.315 150 HD22 ASN 21 1HD2 ASN 21 20.332 1.262 -6.891 151 HXT ASN 21 H02 ASN 21 22.133 3.601 -1.279 152 H1 PHE 31 2H0 PHE 31 19.363 -18.222 -0.839 153 H2 PHE 31 1H0 PHE 31 20.020 -17.313 -1.940 154 HA PHE 31 HA PHE 31 17.839 -16.271 -0.264 155 HB2 PHE 31 1HB PHE 31 19.465 -14.624 -1.499 156 HB3 PHE 31 2HB PHE 31 19.000 -15.521 -3.047 157 HD1 PHE 31 HD1 PHE 31 17.857 -13.308 -0.242 158 HD2 PHE 31 HD2 PHE 31 16.798 -15.074 -4.065 159 HE1 PHE 31 HE1 PHE 31 15.914 -11.763 -0.411 160 HE2 PHE 31 HE2 PHE 31 14.890 -13.552 -4.238 161 HZ PHE 31 HZ PHE 31 14.397 -11.867 -2.397 162 H VAL 32 H VAL 32 15.726 -16.253 -1.050 163 HA VAL 32 HA VAL 32 15.263 -18.490 -3.042 164 HB VAL 32 HB VAL 32 14.910 -19.288 -0.622 165 HG11 VAL 32 1HG1 VAL 32 12.572 -17.299 -0.583 166 HG12 VAL 32 2HG1 VAL 32 13.030 -18.406 0.711 167 HG13 VAL 32 3HG1 VAL 32 14.081 -17.080 0.302 168 HG21 VAL 32 3HG2 VAL 32 12.359 -19.202 -2.182 169 HG22 VAL 32 1HG2 VAL 32 13.725 -20.302 -2.480 170 HG23 VAL 32 2HG2 VAL 32 12.830 -20.388 -0.964 171 H ASN 33 H ASN 33 13.433 -18.265 -4.364 172 HA ASN 33 HA ASN 33 12.386 -15.522 -4.571 173 HB2 ASN 33 1HB ASN 33 11.260 -16.355 -6.621 174 HB3 ASN 33 2HB ASN 33 13.019 -16.682 -6.681 175 HD21 ASN 33 2HD2 ASN 33 10.182 -17.979 -7.490 176 HD22 ASN 33 1HD2 ASN 33 10.578 -19.677 -7.371 177 H GLN 34 H GLN 34 10.766 -14.967 -3.273 178 HA GLN 34 HA GLN 34 8.562 -16.865 -2.865 179 HB2 GLN 34 1HB GLN 34 10.359 -17.061 -1.074 180 HB3 GLN 34 2HB GLN 34 9.842 -15.461 -0.495 181 HG2 GLN 34 1HG GLN 34 7.521 -16.421 -0.204 182 HG3 GLN 34 2HG GLN 34 8.139 -17.992 -0.756 183 HE21 GLN 34 2HE2 GLN 34 7.093 -16.877 1.966 184 HE22 GLN 34 1HE2 GLN 34 8.288 -17.440 3.134 185 H HIS 35 H HIS 35 6.638 -15.913 -2.085 186 HA HIS 35 HA HIS 35 6.265 -13.170 -2.948 187 HB2 HIS 35 1HB HIS 35 4.361 -15.218 -1.663 188 HB3 HIS 35 2HB HIS 35 3.875 -13.604 -2.271 189 HD1 HIS 35 HD1 HIS 35 4.598 -13.129 -4.894 190 HD2 HIS 35 HD2 HIS 35 4.045 -17.091 -3.629 191 HE1 HIS 35 HE1 HIS 35 4.153 -14.564 -6.962 192 HE2 HIS 35 HE2 HIS 35 3.881 -16.978 -6.211 193 H LEU 36 H LEU 36 7.918 -12.352 -1.361 194 HA LEU 36 HA LEU 36 7.407 -12.543 1.435 195 HB2 LEU 36 1HB LEU 36 8.839 -10.362 -0.192 196 HB3 LEU 36 2HB LEU 36 8.943 -10.534 1.571 197 HG LEU 36 HG LEU 36 9.861 -12.748 -0.302 198 HD11 LEU 36 1HD1 LEU 36 12.117 -11.671 0.067 199 HD12 LEU 36 2HD1 LEU 36 11.241 -10.234 0.746 200 HD13 LEU 36 3HD1 LEU 36 10.944 -10.733 -0.971 201 HD21 LEU 36 3HD2 LEU 36 9.657 -13.354 2.124 202 HD22 LEU 36 1HD2 LEU 36 10.681 -11.970 2.573 203 HD23 LEU 36 2HD2 LEU 36 11.341 -13.327 1.632 204 H CYS 37 H CYS 37 6.092 -11.440 2.720 205 HA CYS 37 HA CYS 37 4.460 -9.237 1.579 206 HB2 CYS 37 1HB CYS 37 3.446 -11.629 1.288 207 HB3 CYS 37 2HB CYS 37 3.175 -11.597 3.030 208 H GLY 38 H GLY 38 4.477 -11.251 4.593 209 HA2 GLY 38 1HA GLY 38 3.906 -8.944 6.278 210 HA3 GLY 38 2HA GLY 38 4.245 -10.603 6.827 211 H SER 39 H SER 39 5.495 -9.989 8.547 212 HA SER 39 HA SER 39 7.524 -7.979 8.436 213 HB2 SER 39 1HB SER 39 8.227 -8.935 10.586 214 HB3 SER 39 2HB SER 39 6.467 -8.913 10.454 215 HG SER 39 HG SER 39 7.512 -10.883 11.247 216 H HIS 40 H HIS 40 7.602 -11.177 7.162 217 HA HIS 40 HA HIS 40 10.395 -11.686 7.046 218 HB2 HIS 40 1HB HIS 40 8.088 -12.278 5.124 219 HB3 HIS 40 2HB HIS 40 9.799 -12.879 4.834 220 HD1 HIS 40 HD1 HIS 40 9.090 -15.381 4.994 221 HD2 HIS 40 HD2 HIS 40 8.214 -13.121 8.431 222 HE1 HIS 40 HE1 HIS 40 8.557 -17.039 6.862 223 HE2 HIS 40 HE2 HIS 40 8.120 -15.653 8.990 224 H LEU 41 H LEU 41 8.235 -9.623 5.122 225 HA LEU 41 HA LEU 41 10.163 -9.186 2.976 226 HB2 LEU 41 1HB LEU 41 7.740 -8.791 2.772 227 HB3 LEU 41 2HB LEU 41 7.861 -7.576 4.035 228 HG LEU 41 HG LEU 41 8.980 -6.013 2.652 229 HD11 LEU 41 1HD1 LEU 41 10.534 -7.257 1.430 230 HD12 LEU 41 2HD1 LEU 41 9.409 -6.613 0.206 231 HD13 LEU 41 3HD1 LEU 41 9.307 -8.306 0.740 232 HD21 LEU 41 3HD2 LEU 41 6.808 -7.304 0.970 233 HD22 LEU 41 1HD2 LEU 41 7.317 -5.568 0.975 234 HD23 LEU 41 2HD2 LEU 41 6.491 -6.289 2.372 235 H VAL 42 H VAL 42 9.490 -7.543 6.004 236 HA VAL 42 HA VAL 42 11.211 -5.268 5.514 237 HB VAL 42 HB VAL 42 10.275 -6.548 8.178 238 HG11 VAL 42 1HG1 VAL 42 10.760 -4.453 9.278 239 HG12 VAL 42 2HG1 VAL 42 12.242 -5.000 8.437 240 HG13 VAL 42 3HG1 VAL 42 11.242 -3.702 7.738 241 HG21 VAL 42 3HG2 VAL 42 9.061 -4.381 6.437 242 HG22 VAL 42 1HG2 VAL 42 8.396 -5.999 6.788 243 HG23 VAL 42 2HG2 VAL 42 8.502 -4.789 8.082 244 H GLU 43 H GLU 43 11.522 -8.368 7.145 245 HA GLU 43 HA GLU 43 14.154 -7.992 8.139 246 HB2 GLU 43 1HB GLU 43 12.404 -9.569 8.929 247 HB3 GLU 43 2HB GLU 43 12.756 -10.584 7.528 248 HG2 GLU 43 1HG GLU 43 14.933 -11.080 8.275 249 HG3 GLU 43 2HG GLU 43 14.817 -9.829 9.569 250 HE2 GLU 43 HE2 GLU 43 15.315 -12.549 9.671 251 H ALA 44 H ALA 44 12.976 -9.426 5.072 252 HA ALA 44 HA ALA 44 15.534 -10.312 4.121 253 HB1 ALA 44 3HB ALA 44 13.067 -9.394 2.600 254 HB2 ALA 44 1HB ALA 44 14.401 -10.366 1.926 255 HB3 ALA 44 2HB ALA 44 13.339 -11.031 3.198 256 H LEU 45 H LEU 45 13.714 -7.295 3.763 257 HA LEU 45 HA LEU 45 15.469 -6.057 1.943 258 HB2 LEU 45 1HB LEU 45 13.144 -5.516 2.665 259 HB3 LEU 45 2HB LEU 45 13.792 -4.734 4.077 260 HG LEU 45 HG LEU 45 14.461 -3.843 1.258 261 HD11 LEU 45 1HD1 LEU 45 12.068 -3.750 1.538 262 HD12 LEU 45 2HD1 LEU 45 12.747 -2.112 1.585 263 HD13 LEU 45 3HD1 LEU 45 12.273 -2.924 3.128 264 HD21 LEU 45 3HD2 LEU 45 15.946 -2.948 3.138 265 HD22 LEU 45 1HD2 LEU 45 14.481 -2.218 3.861 266 HD23 LEU 45 2HD2 LEU 45 15.116 -1.720 2.247 267 H TYR 46 H TYR 46 15.302 -6.093 5.560 268 HA TYR 46 HA TYR 46 17.481 -4.252 5.901 269 HB2 TYR 46 1HB TYR 46 16.165 -4.901 7.796 270 HB3 TYR 46 2HB TYR 46 16.567 -6.621 7.577 271 HD1 TYR 46 HD2 TYR 46 18.552 -3.420 7.784 272 HD2 TYR 46 HD1 TYR 46 18.096 -7.484 9.158 273 HE1 TYR 46 HE2 TYR 46 20.507 -3.145 9.288 274 HE2 TYR 46 HE1 TYR 46 20.021 -7.153 10.687 275 HH TYR 46 HH TYR 46 21.839 -4.086 10.853 276 H LEU 47 H LEU 47 17.415 -7.840 5.542 277 HA LEU 47 HA LEU 47 20.214 -8.189 5.917 278 HB2 LEU 47 1HB LEU 47 18.149 -9.787 4.415 279 HB3 LEU 47 2HB LEU 47 19.826 -10.315 4.582 280 HG LEU 47 HG LEU 47 17.935 -9.872 6.927 281 HD11 LEU 47 1HD1 LEU 47 18.564 -12.405 5.336 282 HD12 LEU 47 2HD1 LEU 47 16.990 -11.573 5.518 283 HD13 LEU 47 3HD1 LEU 47 17.727 -12.358 6.933 284 HD21 LEU 47 3HD2 LEU 47 19.565 -11.351 8.066 285 HD22 LEU 47 1HD2 LEU 47 20.253 -9.825 7.613 286 HD23 LEU 47 2HD2 LEU 47 20.647 -11.273 6.690 287 H VAL 48 H VAL 48 18.386 -7.343 2.899 288 HA VAL 48 HA VAL 48 20.793 -7.837 1.318 289 HB VAL 48 HB VAL 48 19.495 -7.041 -0.620 290 HG11 VAL 48 1HG1 VAL 48 17.581 -8.763 0.952 291 HG12 VAL 48 2HG1 VAL 48 17.818 -8.628 -0.790 292 HG13 VAL 48 3HG1 VAL 48 19.084 -9.361 0.244 293 HG21 VAL 48 3HG2 VAL 48 17.204 -6.316 1.191 294 HG22 VAL 48 1HG2 VAL 48 18.293 -5.160 0.492 295 HG23 VAL 48 2HG2 VAL 48 17.288 -6.150 -0.574 296 H CYS 49 H CYS 49 19.204 -5.075 2.897 297 HA CYS 49 HA CYS 49 20.905 -3.159 1.432 298 HB2 CYS 49 1HB CYS 49 18.562 -2.673 2.357 299 HB3 CYS 49 2HB CYS 49 19.240 -2.674 3.946 300 H GLY 50 H GLY 50 20.715 -4.458 4.793 301 HA2 GLY 50 1HA GLY 50 22.372 -4.715 6.328 302 HA3 GLY 50 2HA GLY 50 23.588 -4.255 5.113 303 H GLU 51 H GLU 51 23.991 -2.047 4.647 304 HA GLU 51 HA GLU 51 24.460 -0.592 7.073 305 HB2 GLU 51 1HB GLU 51 25.714 -0.533 4.889 306 HB3 GLU 51 2HB GLU 51 24.411 0.478 4.243 307 HG2 GLU 51 1HG GLU 51 24.902 2.197 5.770 308 HG3 GLU 51 2HG GLU 51 25.886 1.146 6.794 309 HE2 GLU 51 HE2 GLU 51 28.594 1.209 4.659 310 H GLN 52 H GLN 52 23.284 0.785 8.219 311 HA GLN 52 HA GLN 52 21.562 2.070 8.974 312 HB2 GLN 52 1HB GLN 52 21.627 3.117 6.147 313 HB3 GLN 52 2HB GLN 52 20.792 3.924 7.495 314 HG2 GLN 52 1HG GLN 52 22.935 4.302 8.660 315 HG3 GLN 52 2HG GLN 52 23.816 3.261 7.590 316 HE21 GLN 52 2HE2 GLN 52 25.266 4.721 6.910 317 HE22 GLN 52 1HE2 GLN 52 24.817 6.063 5.886 318 H GLY 53 H GLY 53 20.642 -0.414 8.514 319 HA2 GLY 53 1HA GLY 53 18.217 -0.466 6.957 320 HA3 GLY 53 2HA GLY 53 18.740 -1.640 8.190 321 H PHE 54 H PHE 54 16.285 -1.587 8.523 322 HA PHE 54 HA PHE 54 15.200 0.772 9.702 323 HB2 PHE 54 1HB PHE 54 14.358 -2.031 10.516 324 HB3 PHE 54 2HB PHE 54 13.363 -0.545 10.534 325 HD1 PHE 54 HD2 PHE 54 14.988 -3.004 8.306 326 HD2 PHE 54 HD1 PHE 54 12.121 0.216 8.611 327 HE1 PHE 54 HE2 PHE 54 14.200 -3.551 6.039 328 HE2 PHE 54 HE1 PHE 54 11.419 -0.270 6.263 329 HZ PHE 54 HZ PHE 54 12.435 -2.178 4.964 330 H PHE 55 H PHE 55 16.915 -1.908 11.333 331 HA PHE 55 HA PHE 55 17.396 -0.223 13.667 332 HB2 PHE 55 1HB PHE 55 15.179 -1.513 13.951 333 HB3 PHE 55 2HB PHE 55 16.174 -2.984 13.962 334 HD1 PHE 55 HD2 PHE 55 15.594 0.327 15.653 335 HD2 PHE 55 HD1 PHE 55 17.328 -3.594 16.077 336 HE1 PHE 55 HE2 PHE 55 16.027 0.781 18.007 337 HE2 PHE 55 HE1 PHE 55 17.778 -3.143 18.457 338 HZ PHE 55 HZ PHE 55 17.182 -0.905 19.417 339 H TYR 56 H TYR 56 19.343 -1.037 14.705 340 HA TYR 56 HA TYR 56 20.485 -3.496 13.499 341 HB2 TYR 56 1HB TYR 56 21.047 -1.209 12.227 342 HB3 TYR 56 2HB TYR 56 22.031 -0.809 13.665 343 HD1 TYR 56 HD1 TYR 56 23.491 -3.325 14.180 344 HD2 TYR 56 HD2 TYR 56 22.275 -1.772 10.388 345 HE1 TYR 56 HE1 TYR 56 25.267 -4.615 13.020 346 HE2 TYR 56 HE2 TYR 56 24.025 -3.072 9.244 347 HH TYR 56 HH TYR 56 25.683 -4.726 9.527 348 H THR 57 H THR 57 20.732 -4.602 15.414 349 HA THR 57 HA THR 57 22.564 -3.390 17.470 350 HB THR 57 HB THR 57 20.077 -5.062 18.138 351 HG1 THR 57 HG1 THR 57 20.705 -2.350 18.060 352 HG21 THR 57 1HG2 THR 57 22.381 -3.908 19.856 353 HG22 THR 57 2HG2 THR 57 21.849 -5.623 19.763 354 HG23 THR 57 3HG2 THR 57 20.812 -4.409 20.550 355 HA PRO 58 HA PRO 58 24.292 -7.326 16.049 356 HB2 PRO 58 1HB PRO 58 26.719 -7.285 17.229 357 HB3 PRO 58 2HB PRO 58 26.350 -6.377 15.698 358 HG2 PRO 58 1HG PRO 58 26.460 -5.385 18.530 359 HG3 PRO 58 2HG PRO 58 27.127 -4.614 17.017 360 HD2 PRO 58 1HD PRO 58 24.771 -3.834 18.150 361 HD3 PRO 58 2HD PRO 58 25.053 -3.780 16.382 362 H LYS 59 H LYS 59 24.773 -9.326 17.051 363 HA LYS 59 HA LYS 59 24.160 -9.490 19.948 364 HB2 LYS 59 1HB LYS 59 22.418 -10.322 18.234 365 HB3 LYS 59 2HB LYS 59 23.601 -11.618 17.899 366 HG2 LYS 59 1HG LYS 59 23.290 -12.557 20.112 367 HG3 LYS 59 2HG LYS 59 22.641 -11.065 20.787 368 HD2 LYS 59 1HD LYS 59 20.682 -11.292 19.411 369 HD3 LYS 59 2HD LYS 59 21.271 -12.812 18.679 370 HE2 LYS 59 1HE LYS 59 20.739 -12.307 21.715 371 HE3 LYS 59 2HE LYS 59 19.602 -13.141 20.654 372 HZ1 LYS 59 3HZ LYS 59 21.077 -14.950 20.497 373 HZ2 LYS 59 1HZ LYS 59 21.203 -14.514 22.092 374 HZ3 LYS 59 2HZ LYS 59 22.370 -14.072 21.040 375 H THR 60 H THR 60 26.269 -10.371 17.359 376 HA THR 60 HA THR 60 27.992 -12.018 19.168 377 HB THR 60 HB THR 60 28.555 -12.839 16.552 378 HG1 THR 60 HG1 THR 60 26.362 -11.764 16.328 379 HG21 THR 60 1HG2 THR 60 27.329 -14.989 17.310 380 HG22 THR 60 2HG2 THR 60 26.887 -14.087 18.761 381 HG23 THR 60 3HG2 THR 60 28.596 -14.368 18.411 382 HXT THR 60 H02 THR 60 29.445 -9.102 17.069 Start of MODEL 25 1 H1 GLY 1 2H0 GLY 1 3.437 1.898 -3.211 2 H2 GLY 1 1H0 GLY 1 1.961 1.137 -3.234 3 HA2 GLY 1 1HA GLY 1 3.460 1.742 -0.739 4 HA3 GLY 1 2HA GLY 1 1.977 0.770 -0.872 5 H ILE 2 H ILE 2 5.219 0.633 -0.388 6 HA ILE 2 HA ILE 2 6.060 -1.535 -1.974 7 HB ILE 2 HB ILE 2 7.654 -0.134 -0.678 8 HG12 ILE 2 1HG1 ILE 2 7.827 -3.112 -0.035 9 HG13 ILE 2 2HG1 ILE 2 8.307 -2.335 -1.582 10 HG21 ILE 2 1HG2 ILE 2 6.300 0.033 1.433 11 HG22 ILE 2 2HG2 ILE 2 6.760 -1.654 1.819 12 HG23 ILE 2 3HG2 ILE 2 8.016 -0.372 1.686 13 HD11 ILE 2 3HD1 ILE 2 9.600 -2.034 1.149 14 HD12 ILE 2 1HD1 ILE 2 10.311 -2.760 -0.305 15 HD13 ILE 2 2HD1 ILE 2 10.027 -1.021 -0.232 16 H VAL 3 H VAL 3 4.377 -1.644 1.165 17 HA VAL 3 HA VAL 3 4.574 -4.507 1.434 18 HB VAL 3 HB VAL 3 2.374 -2.712 2.630 19 HG11 VAL 3 1HG1 VAL 3 2.486 -4.389 4.515 20 HG12 VAL 3 2HG1 VAL 3 1.933 -5.073 2.983 21 HG13 VAL 3 3HG1 VAL 3 3.599 -5.332 3.532 22 HG21 VAL 3 3HG2 VAL 3 3.851 -2.449 4.623 23 HG22 VAL 3 1HG2 VAL 3 5.156 -3.219 3.691 24 HG23 VAL 3 2HG2 VAL 3 4.502 -1.666 3.169 25 H GLU 4 H GLU 4 2.040 -2.344 0.178 26 HA GLU 4 HA GLU 4 0.084 -4.334 -0.382 27 HB2 GLU 4 1HB GLU 4 0.680 -1.625 -1.624 28 HB3 GLU 4 2HB GLU 4 -0.771 -2.595 -2.001 29 HG2 GLU 4 1HG GLU 4 -1.434 -2.515 0.336 30 HG3 GLU 4 2HG GLU 4 -0.001 -1.606 0.735 31 HE2 GLU 4 HE2 GLU 4 -3.006 -1.570 -0.520 32 H GLN 5 H GLN 5 2.831 -3.104 -2.271 33 HA GLN 5 HA GLN 5 2.131 -4.544 -4.675 34 HB2 GLN 5 1HB GLN 5 3.609 -2.494 -4.479 35 HB3 GLN 5 2HB GLN 5 4.837 -3.508 -3.754 36 HG2 GLN 5 1HG GLN 5 4.986 -4.836 -5.848 37 HG3 GLN 5 2HG GLN 5 3.718 -3.800 -6.567 38 HE21 GLN 5 2HE2 GLN 5 4.253 -1.376 -6.481 39 HE22 GLN 5 1HE2 GLN 5 5.886 -0.960 -6.864 40 H CYS 6 H CYS 6 4.652 -5.098 -2.135 41 HA CYS 6 HA CYS 6 5.512 -7.532 -3.345 42 HB2 CYS 6 1HB CYS 6 5.915 -6.446 -0.599 43 HB3 CYS 6 2HB CYS 6 6.782 -7.818 -1.240 44 H CYS 7 H CYS 7 2.922 -6.983 -1.059 45 HA CYS 7 HA CYS 7 2.899 -9.646 -0.042 46 HB2 CYS 7 1HB CYS 7 1.405 -7.381 0.397 47 HB3 CYS 7 2HB CYS 7 0.248 -8.384 -0.447 48 H THR 8 H THR 8 2.018 -8.344 -3.110 49 HA THR 8 HA THR 8 0.946 -11.034 -3.935 50 HB THR 8 HB THR 8 -0.980 -9.509 -3.868 51 HG1 THR 8 HG1 THR 8 0.040 -9.865 -6.488 52 HG21 THR 8 1HG2 THR 8 0.759 -7.542 -5.403 53 HG22 THR 8 2HG2 THR 8 0.003 -7.318 -3.837 54 HG23 THR 8 3HG2 THR 8 -0.990 -7.392 -5.268 55 H SER 9 H SER 9 3.670 -9.880 -3.939 56 HA SER 9 HA SER 9 4.228 -10.447 -6.816 57 HB2 SER 9 1HB SER 9 4.205 -7.953 -6.599 58 HB3 SER 9 2HB SER 9 5.419 -8.066 -5.312 59 HG SER 9 HG SER 9 6.246 -7.600 -7.457 60 H ILE 10 H ILE 10 6.701 -10.725 -7.059 61 HA ILE 10 HA ILE 10 7.643 -12.562 -4.986 62 HB ILE 10 HB ILE 10 9.064 -11.534 -7.501 63 HG12 ILE 10 1HG1 ILE 10 6.990 -12.940 -7.924 64 HG13 ILE 10 2HG1 ILE 10 8.490 -13.604 -8.583 65 HG21 ILE 10 1HG2 ILE 10 10.540 -13.585 -7.112 66 HG22 ILE 10 2HG2 ILE 10 10.703 -12.292 -5.889 67 HG23 ILE 10 3HG2 ILE 10 9.760 -13.741 -5.515 68 HD11 ILE 10 3HD1 ILE 10 7.308 -14.559 -5.915 69 HD12 ILE 10 1HD1 ILE 10 6.984 -15.369 -7.465 70 HD13 ILE 10 2HD1 ILE 10 8.621 -15.322 -6.827 71 H CYS 11 H CYS 11 8.341 -9.326 -6.277 72 HA CYS 11 HA CYS 11 9.844 -7.699 -5.727 73 HB2 CYS 11 1HB CYS 11 8.796 -8.590 -3.049 74 HB3 CYS 11 2HB CYS 11 10.036 -7.301 -3.173 75 H SER 12 H SER 12 11.235 -9.492 -6.715 76 HA SER 12 HA SER 12 13.024 -11.045 -5.163 77 HB2 SER 12 1HB SER 12 14.240 -10.430 -7.606 78 HB3 SER 12 2HB SER 12 13.169 -11.822 -7.269 79 HG SER 12 HG SER 12 12.362 -10.594 -8.987 80 H LEU 13 H LEU 13 15.382 -10.725 -4.882 81 HA LEU 13 HA LEU 13 15.956 -8.241 -3.728 82 HB2 LEU 13 1HB LEU 13 17.999 -9.044 -3.261 83 HB3 LEU 13 2HB LEU 13 17.146 -10.535 -3.507 84 HG LEU 13 HG LEU 13 18.843 -9.386 -5.724 85 HD11 LEU 13 1HD1 LEU 13 19.753 -10.997 -3.358 86 HD12 LEU 13 2HD1 LEU 13 20.331 -9.414 -3.875 87 HD13 LEU 13 3HD1 LEU 13 20.690 -10.831 -4.860 88 HD21 LEU 13 3HD2 LEU 13 19.061 -11.736 -6.359 89 HD22 LEU 13 1HD2 LEU 13 17.339 -11.232 -6.271 90 HD23 LEU 13 2HD2 LEU 13 18.035 -12.212 -4.969 91 H TYR 14 H TYR 14 16.339 -9.181 -7.118 92 HA TYR 14 HA TYR 14 18.128 -7.125 -7.943 93 HB2 TYR 14 1HB TYR 14 17.474 -9.126 -9.259 94 HB3 TYR 14 2HB TYR 14 15.837 -8.482 -9.406 95 HD1 TYR 14 HD2 TYR 14 19.432 -7.981 -10.360 96 HD2 TYR 14 HD1 TYR 14 15.357 -6.739 -11.021 97 HE1 TYR 14 HE2 TYR 14 20.147 -6.671 -12.393 98 HE2 TYR 14 HE1 TYR 14 16.109 -5.371 -12.983 99 HH TYR 14 HH TYR 14 17.910 -4.644 -14.234 100 H GLN 15 H GLN 15 14.594 -7.149 -7.491 101 HA GLN 15 HA GLN 15 14.352 -4.360 -8.477 102 HB2 GLN 15 1HB GLN 15 12.607 -6.162 -8.892 103 HB3 GLN 15 2HB GLN 15 12.254 -6.148 -7.151 104 HG2 GLN 15 1HG GLN 15 11.535 -3.835 -7.302 105 HG3 GLN 15 2HG GLN 15 12.072 -3.716 -9.003 106 HE21 GLN 15 2HE2 GLN 15 10.112 -3.357 -9.973 107 HE22 GLN 15 1HE2 GLN 15 8.769 -4.510 -9.900 108 H LEU 16 H LEU 16 14.213 -6.263 -5.448 109 HA LEU 16 HA LEU 16 13.448 -4.210 -3.715 110 HB2 LEU 16 1HB LEU 16 13.762 -6.759 -3.414 111 HB3 LEU 16 2HB LEU 16 15.425 -6.356 -3.004 112 HG LEU 16 HG LEU 16 14.614 -5.027 -1.088 113 HD11 LEU 16 1HD1 LEU 16 12.189 -5.432 -0.417 114 HD12 LEU 16 2HD1 LEU 16 11.918 -5.975 -2.110 115 HD13 LEU 16 3HD1 LEU 16 12.444 -4.283 -1.737 116 HD21 LEU 16 3HD2 LEU 16 15.222 -7.331 -0.730 117 HD22 LEU 16 1HD2 LEU 16 13.604 -7.879 -1.263 118 HD23 LEU 16 2HD2 LEU 16 13.794 -6.971 0.237 119 H GLU 17 H GLU 17 16.704 -4.855 -5.010 120 HA GLU 17 HA GLU 17 18.100 -3.139 -3.160 121 HB2 GLU 17 1HB GLU 17 18.621 -4.172 -5.947 122 HB3 GLU 17 2HB GLU 17 19.701 -2.960 -5.258 123 HG2 GLU 17 1HG GLU 17 20.283 -4.437 -3.435 124 HG3 GLU 17 2HG GLU 17 19.029 -5.612 -3.910 125 HE2 GLU 17 HE2 GLU 17 21.738 -7.162 -5.287 126 H ASN 18 H ASN 18 15.909 -2.379 -5.828 127 HA ASN 18 HA ASN 18 17.024 0.186 -6.390 128 HB2 ASN 18 1HB ASN 18 15.370 -1.095 -7.800 129 HB3 ASN 18 2HB ASN 18 14.098 -0.609 -6.671 130 HD21 ASN 18 2HD2 ASN 18 12.951 0.680 -8.016 131 HD22 ASN 18 1HD2 ASN 18 13.569 2.151 -8.725 132 H TYR 19 H TYR 19 15.069 -1.052 -3.783 133 HA TYR 19 HA TYR 19 14.103 1.584 -2.904 134 HB2 TYR 19 1HB TYR 19 14.142 -1.131 -1.529 135 HB3 TYR 19 2HB TYR 19 13.426 0.315 -0.849 136 HD1 TYR 19 HD2 TYR 19 13.085 -2.222 -3.507 137 HD2 TYR 19 HD1 TYR 19 11.327 1.242 -1.667 138 HE1 TYR 19 HE2 TYR 19 10.953 -2.745 -4.667 139 HE2 TYR 19 HE1 TYR 19 9.183 0.755 -2.819 140 HH TYR 19 HH TYR 19 8.676 -2.028 -4.981 141 H CYS 20 H CYS 20 17.119 -0.053 -2.726 142 HA CYS 20 HA CYS 20 18.019 1.730 -0.491 143 HB2 CYS 20 1HB CYS 20 19.255 -0.756 -1.703 144 HB3 CYS 20 2HB CYS 20 20.142 0.361 -0.603 145 H ASN 21 H ASN 21 17.520 1.934 -3.625 146 HA ASN 21 HA ASN 21 20.026 3.459 -4.104 147 HB2 ASN 21 1HB ASN 21 18.481 1.695 -6.047 148 HB3 ASN 21 2HB ASN 21 19.383 3.059 -6.670 149 HD21 ASN 21 2HD2 ASN 21 21.641 3.040 -4.966 150 HD22 ASN 21 1HD2 ASN 21 22.501 1.619 -5.397 151 HXT ASN 21 H02 ASN 21 16.871 3.275 -5.129 152 H1 PHE 31 2H0 PHE 31 19.976 -14.013 -3.501 153 H2 PHE 31 1H0 PHE 31 19.067 -12.799 -2.934 154 HA PHE 31 HA PHE 31 19.554 -15.314 -1.489 155 HB2 PHE 31 1HB PHE 31 18.259 -14.535 0.258 156 HB3 PHE 31 2HB PHE 31 19.273 -13.159 -0.150 157 HD1 PHE 31 HD2 PHE 31 15.893 -14.548 -0.295 158 HD2 PHE 31 HD1 PHE 31 18.295 -11.093 -1.113 159 HE1 PHE 31 HE2 PHE 31 13.863 -13.214 -0.616 160 HE2 PHE 31 HE1 PHE 31 16.249 -9.757 -1.392 161 HZ PHE 31 HZ PHE 31 14.028 -10.805 -1.126 162 H VAL 32 H VAL 32 17.501 -16.481 -1.024 163 HA VAL 32 HA VAL 32 16.523 -17.323 -3.578 164 HB VAL 32 HB VAL 32 16.600 -18.953 -1.877 165 HG11 VAL 32 1HG1 VAL 32 15.214 -18.758 0.261 166 HG12 VAL 32 2HG1 VAL 32 16.596 -17.644 0.121 167 HG13 VAL 32 3HG1 VAL 32 14.924 -17.058 -0.192 168 HG21 VAL 32 3HG2 VAL 32 13.598 -18.352 -2.177 169 HG22 VAL 32 1HG2 VAL 32 14.576 -19.107 -3.435 170 HG23 VAL 32 2HG2 VAL 32 14.351 -19.917 -1.840 171 H ASN 33 H ASN 33 15.109 -16.371 -4.837 172 HA ASN 33 HA ASN 33 13.456 -14.210 -3.836 173 HB2 ASN 33 1HB ASN 33 13.837 -15.470 -6.574 174 HB3 ASN 33 2HB ASN 33 12.797 -14.074 -6.249 175 HD21 ASN 33 2HD2 ASN 33 15.718 -14.814 -7.452 176 HD22 ASN 33 1HD2 ASN 33 16.619 -13.408 -7.004 177 H GLN 34 H GLN 34 11.548 -14.498 -2.967 178 HA GLN 34 HA GLN 34 9.588 -16.355 -4.119 179 HB2 GLN 34 1HB GLN 34 9.211 -17.487 -1.972 180 HB3 GLN 34 2HB GLN 34 10.860 -17.812 -2.552 181 HG2 GLN 34 1HG GLN 34 11.629 -15.927 -1.007 182 HG3 GLN 34 2HG GLN 34 9.984 -15.912 -0.333 183 HE21 GLN 34 2HE2 GLN 34 12.939 -16.983 0.396 184 HE22 GLN 34 1HE2 GLN 34 12.555 -18.426 1.235 185 H HIS 35 H HIS 35 7.468 -15.957 -2.891 186 HA HIS 35 HA HIS 35 7.018 -13.110 -2.715 187 HB2 HIS 35 1HB HIS 35 5.286 -15.371 -1.697 188 HB3 HIS 35 2HB HIS 35 4.773 -13.705 -1.928 189 HD1 HIS 35 HD1 HIS 35 4.873 -12.813 -4.501 190 HD2 HIS 35 HD2 HIS 35 4.830 -16.969 -3.939 191 HE1 HIS 35 HE1 HIS 35 4.155 -13.888 -6.728 192 HE2 HIS 35 HE2 HIS 35 4.137 -16.390 -6.343 193 H LEU 36 H LEU 36 6.733 -11.740 -0.984 194 HA LEU 36 HA LEU 36 6.918 -12.872 1.743 195 HB2 LEU 36 1HB LEU 36 8.681 -10.891 2.124 196 HB3 LEU 36 2HB LEU 36 9.137 -12.544 1.698 197 HG LEU 36 HG LEU 36 9.370 -11.814 -0.703 198 HD11 LEU 36 1HD1 LEU 36 8.029 -9.716 -0.624 199 HD12 LEU 36 2HD1 LEU 36 9.667 -9.489 -1.207 200 HD13 LEU 36 3HD1 LEU 36 9.257 -9.003 0.442 201 HD21 LEU 36 3HD2 LEU 36 11.510 -10.624 -0.156 202 HD22 LEU 36 1HD2 LEU 36 11.259 -12.125 0.708 203 HD23 LEU 36 2HD2 LEU 36 11.024 -10.571 1.534 204 H CYS 37 H CYS 37 6.160 -11.544 3.379 205 HA CYS 37 HA CYS 37 5.232 -8.839 2.827 206 HB2 CYS 37 1HB CYS 37 3.516 -10.474 1.771 207 HB3 CYS 37 2HB CYS 37 3.146 -10.973 3.437 208 H GLY 38 H GLY 38 4.100 -8.036 4.903 209 HA2 GLY 38 1HA GLY 38 4.189 -7.809 7.216 210 HA3 GLY 38 2HA GLY 38 4.291 -9.603 7.311 211 H SER 39 H SER 39 5.847 -9.716 8.913 212 HA SER 39 HA SER 39 8.215 -8.269 9.066 213 HB2 SER 39 1HB SER 39 8.037 -11.139 9.902 214 HB3 SER 39 2HB SER 39 8.856 -9.797 10.693 215 HG SER 39 HG SER 39 6.927 -10.284 11.776 216 H HIS 40 H HIS 40 7.485 -11.028 6.957 217 HA HIS 40 HA HIS 40 10.263 -11.809 6.635 218 HB2 HIS 40 1HB HIS 40 7.822 -12.199 4.881 219 HB3 HIS 40 2HB HIS 40 9.421 -12.855 4.504 220 HD1 HIS 40 HD1 HIS 40 7.802 -15.159 4.656 221 HD2 HIS 40 HD2 HIS 40 8.951 -13.279 8.200 222 HE1 HIS 40 HE1 HIS 40 7.512 -16.858 6.531 223 HE2 HIS 40 HE2 HIS 40 8.209 -15.697 8.677 224 H LEU 41 H LEU 41 8.172 -9.375 5.127 225 HA LEU 41 HA LEU 41 9.870 -8.847 2.889 226 HB2 LEU 41 1HB LEU 41 7.489 -8.230 3.140 227 HB3 LEU 41 2HB LEU 41 7.938 -7.054 4.372 228 HG LEU 41 HG LEU 41 8.916 -6.835 1.504 229 HD11 LEU 41 1HD1 LEU 41 6.946 -5.376 1.094 230 HD12 LEU 41 2HD1 LEU 41 6.354 -5.681 2.763 231 HD13 LEU 41 3HD1 LEU 41 6.424 -7.002 1.592 232 HD21 LEU 41 3HD2 LEU 41 8.468 -4.637 3.639 233 HD22 LEU 41 1HD2 LEU 41 9.152 -4.438 1.983 234 HD23 LEU 41 2HD2 LEU 41 10.054 -5.350 3.214 235 H VAL 42 H VAL 42 9.496 -7.194 6.055 236 HA VAL 42 HA VAL 42 11.639 -5.360 5.468 237 HB VAL 42 HB VAL 42 11.545 -4.697 7.845 238 HG11 VAL 42 1HG1 VAL 42 8.770 -5.021 6.614 239 HG12 VAL 42 2HG1 VAL 42 9.212 -3.888 7.890 240 HG13 VAL 42 3HG1 VAL 42 9.934 -3.739 6.261 241 HG21 VAL 42 3HG2 VAL 42 11.108 -6.985 8.777 242 HG22 VAL 42 1HG2 VAL 42 10.090 -5.681 9.441 243 HG23 VAL 42 2HG2 VAL 42 9.418 -6.823 8.214 244 H GLU 43 H GLU 43 11.588 -8.592 6.875 245 HA GLU 43 HA GLU 43 14.303 -8.357 7.868 246 HB2 GLU 43 1HB GLU 43 12.469 -10.665 7.340 247 HB3 GLU 43 2HB GLU 43 14.204 -10.969 7.628 248 HG2 GLU 43 1HG GLU 43 12.352 -9.408 9.467 249 HG3 GLU 43 2HG GLU 43 12.830 -11.109 9.682 250 HE2 GLU 43 HE2 GLU 43 15.976 -10.284 10.713 251 H ALA 44 H ALA 44 12.958 -9.532 4.696 252 HA ALA 44 HA ALA 44 15.564 -10.299 3.719 253 HB1 ALA 44 3HB ALA 44 13.105 -9.350 2.252 254 HB2 ALA 44 1HB ALA 44 14.535 -10.050 1.506 255 HB3 ALA 44 2HB ALA 44 13.558 -11.042 2.586 256 H LEU 45 H LEU 45 13.673 -7.281 3.698 257 HA LEU 45 HA LEU 45 15.527 -5.772 2.168 258 HB2 LEU 45 1HB LEU 45 13.152 -5.163 2.778 259 HB3 LEU 45 2HB LEU 45 13.694 -4.798 4.400 260 HG LEU 45 HG LEU 45 14.880 -2.880 3.716 261 HD11 LEU 45 1HD1 LEU 45 15.946 -3.617 1.674 262 HD12 LEU 45 2HD1 LEU 45 15.010 -2.114 1.366 263 HD13 LEU 45 3HD1 LEU 45 14.376 -3.672 0.838 264 HD21 LEU 45 3HD2 LEU 45 12.358 -2.775 3.866 265 HD22 LEU 45 1HD2 LEU 45 12.280 -3.015 2.098 266 HD23 LEU 45 2HD2 LEU 45 13.047 -1.558 2.790 267 H TYR 46 H TYR 46 15.332 -6.306 5.733 268 HA TYR 46 HA TYR 46 17.476 -4.561 6.439 269 HB2 TYR 46 1HB TYR 46 15.978 -5.457 8.098 270 HB3 TYR 46 2HB TYR 46 16.419 -7.128 7.729 271 HD1 TYR 46 HD2 TYR 46 17.678 -3.990 9.320 272 HD2 TYR 46 HD1 TYR 46 18.373 -8.190 8.647 273 HE1 TYR 46 HE2 TYR 46 19.478 -3.946 11.020 274 HE2 TYR 46 HE1 TYR 46 20.193 -8.126 10.413 275 HH TYR 46 HH TYR 46 21.359 -6.818 11.892 276 H LEU 47 H LEU 47 17.410 -8.006 5.579 277 HA LEU 47 HA LEU 47 20.194 -8.508 6.110 278 HB2 LEU 47 1HB LEU 47 18.168 -9.882 4.342 279 HB3 LEU 47 2HB LEU 47 19.784 -10.520 4.606 280 HG LEU 47 HG LEU 47 17.761 -10.050 6.816 281 HD11 LEU 47 1HD1 LEU 47 17.336 -12.438 6.752 282 HD12 LEU 47 2HD1 LEU 47 18.559 -12.660 5.507 283 HD13 LEU 47 3HD1 LEU 47 17.057 -11.797 5.148 284 HD21 LEU 47 3HD2 LEU 47 20.057 -10.032 7.654 285 HD22 LEU 47 1HD2 LEU 47 20.419 -11.527 6.804 286 HD23 LEU 47 2HD2 LEU 47 19.240 -11.573 8.117 287 H VAL 48 H VAL 48 18.463 -7.532 3.065 288 HA VAL 48 HA VAL 48 20.945 -7.786 1.572 289 HB VAL 48 HB VAL 48 18.752 -8.172 0.462 290 HG11 VAL 48 1HG1 VAL 48 18.368 -5.170 0.475 291 HG12 VAL 48 2HG1 VAL 48 17.294 -6.406 -0.216 292 HG13 VAL 48 3HG1 VAL 48 17.511 -6.310 1.530 293 HG21 VAL 48 3HG2 VAL 48 19.303 -7.034 -1.634 294 HG22 VAL 48 1HG2 VAL 48 20.405 -5.940 -0.751 295 HG23 VAL 48 2HG2 VAL 48 20.742 -7.677 -0.850 296 H CYS 49 H CYS 49 19.156 -5.053 3.009 297 HA CYS 49 HA CYS 49 21.613 -3.585 3.414 298 HB2 CYS 49 1HB CYS 49 20.823 -1.567 2.087 299 HB3 CYS 49 2HB CYS 49 21.655 -2.893 1.237 300 H GLY 50 H GLY 50 20.431 -3.971 5.496 301 HA2 GLY 50 1HA GLY 50 18.036 -2.466 5.993 302 HA3 GLY 50 2HA GLY 50 19.051 -3.251 7.194 303 H GLU 51 H GLU 51 19.781 -1.983 8.686 304 HA GLU 51 HA GLU 51 20.321 -0.157 9.934 305 HB2 GLU 51 1HB GLU 51 21.226 1.097 7.356 306 HB3 GLU 51 2HB GLU 51 21.665 1.597 8.961 307 HG2 GLU 51 1HG GLU 51 22.766 -0.657 9.303 308 HG3 GLU 51 2HG GLU 51 22.468 -0.999 7.562 309 HE2 GLU 51 HE2 GLU 51 24.624 -1.198 7.500 310 H GLN 52 H GLN 52 17.577 -0.310 8.613 311 HA GLN 52 HA GLN 52 16.891 2.596 8.939 312 HB2 GLN 52 1HB GLN 52 15.320 0.440 7.529 313 HB3 GLN 52 2HB GLN 52 14.843 2.130 7.671 314 HG2 GLN 52 1HG GLN 52 16.822 2.791 6.379 315 HG3 GLN 52 2HG GLN 52 17.274 1.104 6.151 316 HE21 GLN 52 2HE2 GLN 52 16.441 3.288 4.245 317 HE22 GLN 52 1HE2 GLN 52 15.120 2.582 3.350 318 H GLY 53 H GLY 53 16.834 -0.221 10.754 319 HA2 GLY 53 1HA GLY 53 15.896 -0.405 12.858 320 HA3 GLY 53 2HA GLY 53 14.847 0.981 12.517 321 H PHE 54 H PHE 54 13.386 0.202 10.340 322 HA PHE 54 HA PHE 54 11.447 -1.001 9.828 323 HB2 PHE 54 1HB PHE 54 13.097 -3.338 10.684 324 HB3 PHE 54 2HB PHE 54 11.709 -3.359 9.616 325 HD1 PHE 54 HD2 PHE 54 11.954 -1.856 7.439 326 HD2 PHE 54 HD1 PHE 54 15.274 -3.167 9.809 327 HE1 PHE 54 HE2 PHE 54 13.448 -1.539 5.503 328 HE2 PHE 54 HE1 PHE 54 16.793 -2.834 7.877 329 HZ PHE 54 HZ PHE 54 15.841 -2.043 5.693 330 H PHE 55 H PHE 55 10.617 0.047 11.821 331 HA PHE 55 HA PHE 55 10.133 -1.384 14.197 332 HB2 PHE 55 1HB PHE 55 9.359 1.115 12.934 333 HB3 PHE 55 2HB PHE 55 7.974 0.403 13.755 334 HD1 PHE 55 HD2 PHE 55 7.985 0.036 16.171 335 HD2 PHE 55 HD1 PHE 55 11.245 1.991 14.164 336 HE1 PHE 55 HE2 PHE 55 8.838 0.811 18.404 337 HE2 PHE 55 HE1 PHE 55 12.067 2.834 16.389 338 HZ PHE 55 HZ PHE 55 10.871 2.235 18.502 339 H TYR 56 H TYR 56 8.349 -2.356 15.059 340 HA TYR 56 HA TYR 56 6.692 -3.854 15.226 341 HB2 TYR 56 1HB TYR 56 5.415 -1.826 14.385 342 HB3 TYR 56 2HB TYR 56 5.270 -2.703 12.837 343 HD1 TYR 56 HD1 TYR 56 4.040 -4.945 12.821 344 HD2 TYR 56 HD2 TYR 56 4.124 -2.439 16.333 345 HE1 TYR 56 HE1 TYR 56 2.177 -6.276 13.870 346 HE2 TYR 56 HE2 TYR 56 2.271 -3.756 17.312 347 HH TYR 56 HH TYR 56 0.714 -6.438 15.665 348 H THR 57 H THR 57 7.418 -5.804 14.970 349 HA THR 57 HA THR 57 6.711 -7.155 12.449 350 HB THR 57 HB THR 57 8.972 -7.212 11.915 351 HG1 THR 57 HG1 THR 57 9.007 -9.136 14.032 352 HG21 THR 57 1HG2 THR 57 9.855 -5.733 13.580 353 HG22 THR 57 2HG2 THR 57 10.846 -7.209 13.665 354 HG23 THR 57 3HG2 THR 57 9.570 -6.921 14.879 355 HA PRO 58 HA PRO 58 5.040 -9.355 15.990 356 HB2 PRO 58 1HB PRO 58 3.168 -10.907 14.696 357 HB3 PRO 58 2HB PRO 58 2.867 -9.160 15.000 358 HG2 PRO 58 1HG PRO 58 3.966 -10.537 12.558 359 HG3 PRO 58 2HG PRO 58 2.615 -9.367 12.688 360 HD2 PRO 58 1HD PRO 58 5.058 -8.496 11.944 361 HD3 PRO 58 2HD PRO 58 4.084 -7.547 13.101 362 H LYS 59 H LYS 59 5.379 -11.377 16.863 363 HA LYS 59 HA LYS 59 7.067 -13.292 15.274 364 HB2 LYS 59 1HB LYS 59 6.819 -12.863 18.286 365 HB3 LYS 59 2HB LYS 59 7.716 -14.131 17.537 366 HG2 LYS 59 1HG LYS 59 9.131 -12.389 16.428 367 HG3 LYS 59 2HG LYS 59 8.328 -11.165 17.459 368 HD2 LYS 59 1HD LYS 59 9.032 -12.384 19.468 369 HD3 LYS 59 2HD LYS 59 9.766 -13.671 18.462 370 HE2 LYS 59 1HE LYS 59 11.268 -11.932 17.449 371 HE3 LYS 59 2HE LYS 59 10.602 -10.758 18.625 372 HZ1 LYS 59 3HZ LYS 59 12.636 -11.635 19.434 373 HZ2 LYS 59 1HZ LYS 59 12.144 -13.230 19.239 374 HZ3 LYS 59 2HZ LYS 59 11.410 -12.269 20.399 375 H THR 60 H THR 60 4.077 -12.888 17.085 376 HA THR 60 HA THR 60 3.219 -15.602 16.365 377 HB THR 60 HB THR 60 4.229 -16.414 18.282 378 HG1 THR 60 HG1 THR 60 1.952 -16.893 18.173 379 HG21 THR 60 1HG2 THR 60 3.177 -14.011 19.896 380 HG22 THR 60 2HG2 THR 60 4.881 -14.329 19.485 381 HG23 THR 60 3HG2 THR 60 4.007 -15.393 20.572 382 HXT THR 60 H02 THR 60 0.724 -13.373 18.283 Start of MODEL 26 1 H1 GLY 1 2H0 GLY 1 2.336 1.137 -2.104 2 H2 GLY 1 1H0 GLY 1 1.530 0.387 -0.905 3 HA2 GLY 1 1HA GLY 1 4.146 1.858 -0.745 4 HA3 GLY 1 2HA GLY 1 3.307 1.311 0.670 5 H ILE 2 H ILE 2 5.855 0.716 0.173 6 HA ILE 2 HA ILE 2 6.634 -1.323 -1.421 7 HB ILE 2 HB ILE 2 8.401 -0.315 -0.204 8 HG12 ILE 2 1HG1 ILE 2 9.480 -2.094 1.308 9 HG13 ILE 2 2HG1 ILE 2 8.078 -3.094 1.002 10 HG21 ILE 2 1HG2 ILE 2 7.132 0.568 1.677 11 HG22 ILE 2 2HG2 ILE 2 7.013 -1.064 2.390 12 HG23 ILE 2 3HG2 ILE 2 8.592 -0.218 2.258 13 HD11 ILE 2 3HD1 ILE 2 10.335 -2.354 -0.891 14 HD12 ILE 2 1HD1 ILE 2 9.785 -3.952 -0.372 15 HD13 ILE 2 2HD1 ILE 2 8.790 -3.010 -1.473 16 H VAL 3 H VAL 3 5.057 -2.002 1.721 17 HA VAL 3 HA VAL 3 5.563 -4.811 1.516 18 HB VAL 3 HB VAL 3 3.405 -3.442 3.171 19 HG11 VAL 3 1HG1 VAL 3 2.857 -5.834 3.009 20 HG12 VAL 3 2HG1 VAL 3 4.559 -6.281 3.224 21 HG13 VAL 3 3HG1 VAL 3 3.652 -5.582 4.567 22 HG21 VAL 3 3HG2 VAL 3 5.174 -3.901 5.044 23 HG22 VAL 3 1HG2 VAL 3 6.333 -4.161 3.720 24 HG23 VAL 3 2HG2 VAL 3 5.551 -2.564 3.892 25 H GLU 4 H GLU 4 2.737 -2.796 0.595 26 HA GLU 4 HA GLU 4 1.181 -5.071 -0.247 27 HB2 GLU 4 1HB GLU 4 0.985 -2.124 -1.017 28 HB3 GLU 4 2HB GLU 4 -0.202 -3.395 -1.407 29 HG2 GLU 4 1HG GLU 4 -0.534 -3.767 1.008 30 HG3 GLU 4 2HG GLU 4 0.701 -2.600 1.384 31 HE2 GLU 4 HE2 GLU 4 -0.849 -1.662 2.548 32 H GLN 5 H GLN 5 3.407 -2.754 -1.911 33 HA GLN 5 HA GLN 5 2.966 -3.623 -4.587 34 HB2 GLN 5 1HB GLN 5 4.274 -1.639 -3.657 35 HB3 GLN 5 2HB GLN 5 5.597 -2.752 -3.314 36 HG2 GLN 5 1HG GLN 5 6.098 -1.664 -5.267 37 HG3 GLN 5 2HG GLN 5 5.763 -3.345 -5.700 38 HE21 GLN 5 2HE2 GLN 5 4.515 -3.553 -7.468 39 HE22 GLN 5 1HE2 GLN 5 3.291 -2.386 -8.033 40 H CYS 6 H CYS 6 5.370 -4.891 -2.189 41 HA CYS 6 HA CYS 6 6.344 -6.770 -4.200 42 HB2 CYS 6 1HB CYS 6 7.016 -5.983 -1.481 43 HB3 CYS 6 2HB CYS 6 7.585 -7.578 -2.025 44 H CYS 7 H CYS 7 4.219 -7.098 -1.344 45 HA CYS 7 HA CYS 7 4.587 -9.964 -1.086 46 HB2 CYS 7 1HB CYS 7 3.692 -8.634 0.725 47 HB3 CYS 7 2HB CYS 7 2.285 -8.161 -0.190 48 H THR 8 H THR 8 2.532 -7.819 -3.058 49 HA THR 8 HA THR 8 1.178 -10.235 -4.084 50 HB THR 8 HB THR 8 -0.390 -8.794 -5.249 51 HG1 THR 8 HG1 THR 8 1.100 -6.636 -4.127 52 HG21 THR 8 1HG2 THR 8 -1.070 -9.323 -3.069 53 HG22 THR 8 2HG2 THR 8 -1.361 -7.580 -3.266 54 HG23 THR 8 3HG2 THR 8 0.058 -8.164 -2.338 55 H SER 9 H SER 9 1.367 -10.804 -6.259 56 HA SER 9 HA SER 9 2.544 -11.102 -8.210 57 HB2 SER 9 1HB SER 9 1.302 -8.804 -8.514 58 HB3 SER 9 2HB SER 9 2.968 -8.114 -8.275 59 HG SER 9 HG SER 9 3.161 -8.545 -10.251 60 H ILE 10 H ILE 10 3.978 -11.504 -6.012 61 HA ILE 10 HA ILE 10 6.113 -10.882 -5.029 62 HB ILE 10 HB ILE 10 6.805 -12.876 -7.215 63 HG12 ILE 10 1HG1 ILE 10 5.315 -13.475 -4.667 64 HG13 ILE 10 2HG1 ILE 10 4.574 -13.502 -6.273 65 HG21 ILE 10 1HG2 ILE 10 8.211 -13.841 -5.365 66 HG22 ILE 10 2HG2 ILE 10 8.654 -12.184 -5.691 67 HG23 ILE 10 3HG2 ILE 10 7.630 -12.554 -4.286 68 HD11 ILE 10 3HD1 ILE 10 6.708 -15.428 -5.187 69 HD12 ILE 10 1HD1 ILE 10 5.069 -15.825 -5.743 70 HD13 ILE 10 2HD1 ILE 10 6.330 -15.322 -6.903 71 H CYS 11 H CYS 11 7.162 -8.943 -5.285 72 HA CYS 11 HA CYS 11 8.358 -8.104 -7.753 73 HB2 CYS 11 1HB CYS 11 9.579 -6.472 -6.453 74 HB3 CYS 11 2HB CYS 11 7.907 -6.518 -5.888 75 H SER 12 H SER 12 10.711 -7.848 -8.171 76 HA SER 12 HA SER 12 12.112 -10.415 -7.618 77 HB2 SER 12 1HB SER 12 13.687 -9.571 -9.290 78 HB3 SER 12 2HB SER 12 12.032 -9.415 -9.895 79 HG SER 12 HG SER 12 12.612 -7.373 -10.192 80 H LEU 13 H LEU 13 14.261 -10.518 -6.652 81 HA LEU 13 HA LEU 13 14.612 -8.510 -4.564 82 HB2 LEU 13 1HB LEU 13 16.552 -9.606 -3.938 83 HB3 LEU 13 2HB LEU 13 15.368 -10.878 -4.294 84 HG LEU 13 HG LEU 13 16.927 -10.447 -6.683 85 HD11 LEU 13 1HD1 LEU 13 18.573 -9.215 -5.308 86 HD12 LEU 13 2HD1 LEU 13 19.239 -10.781 -5.725 87 HD13 LEU 13 3HD1 LEU 13 18.591 -10.519 -4.102 88 HD21 LEU 13 3HD2 LEU 13 16.002 -12.570 -5.937 89 HD22 LEU 13 1HD2 LEU 13 17.147 -12.592 -4.559 90 HD23 LEU 13 2HD2 LEU 13 17.737 -12.674 -6.240 91 H TYR 14 H TYR 14 15.525 -8.664 -7.844 92 HA TYR 14 HA TYR 14 17.798 -6.887 -7.748 93 HB2 TYR 14 1HB TYR 14 17.249 -8.456 -9.649 94 HB3 TYR 14 2HB TYR 14 15.827 -7.493 -9.991 95 HD1 TYR 14 HD2 TYR 14 19.552 -7.439 -9.895 96 HD2 TYR 14 HD1 TYR 14 15.992 -5.506 -11.304 97 HE1 TYR 14 HE2 TYR 14 20.930 -5.940 -11.268 98 HE2 TYR 14 HE1 TYR 14 17.401 -3.965 -12.675 99 HH TYR 14 HH TYR 14 20.952 -4.307 -12.854 100 H GLN 15 H GLN 15 14.274 -6.492 -8.155 101 HA GLN 15 HA GLN 15 14.502 -3.561 -8.352 102 HB2 GLN 15 1HB GLN 15 12.572 -4.900 -9.124 103 HB3 GLN 15 2HB GLN 15 12.156 -5.293 -7.441 104 HG2 GLN 15 1HG GLN 15 11.727 -2.914 -6.940 105 HG3 GLN 15 2HG GLN 15 12.290 -2.487 -8.573 106 HE21 GLN 15 2HE2 GLN 15 10.456 -1.598 -9.392 107 HE22 GLN 15 1HE2 GLN 15 8.948 -2.519 -9.557 108 H LEU 16 H LEU 16 13.883 -5.911 -5.702 109 HA LEU 16 HA LEU 16 13.327 -4.051 -3.641 110 HB2 LEU 16 1HB LEU 16 13.109 -6.521 -3.552 111 HB3 LEU 16 2HB LEU 16 14.881 -6.677 -3.399 112 HG LEU 16 HG LEU 16 14.794 -5.397 -1.250 113 HD11 LEU 16 1HD1 LEU 16 12.687 -5.158 -0.088 114 HD12 LEU 16 2HD1 LEU 16 11.774 -5.809 -1.445 115 HD13 LEU 16 3HD1 LEU 16 12.604 -4.242 -1.620 116 HD21 LEU 16 3HD2 LEU 16 13.865 -7.266 0.084 117 HD22 LEU 16 1HD2 LEU 16 14.875 -7.845 -1.251 118 HD23 LEU 16 2HD2 LEU 16 13.108 -7.948 -1.402 119 H GLU 17 H GLU 17 16.475 -5.194 -4.883 120 HA GLU 17 HA GLU 17 18.167 -3.905 -2.905 121 HB2 GLU 17 1HB GLU 17 18.542 -4.831 -5.740 122 HB3 GLU 17 2HB GLU 17 19.790 -3.871 -4.952 123 HG2 GLU 17 1HG GLU 17 20.009 -5.583 -3.172 124 HG3 GLU 17 2HG GLU 17 18.675 -6.515 -3.917 125 HE2 GLU 17 HE2 GLU 17 22.431 -6.836 -5.132 126 H ASN 18 H ASN 18 16.453 -2.512 -5.718 127 HA ASN 18 HA ASN 18 18.066 -0.145 -5.755 128 HB2 ASN 18 1HB ASN 18 16.022 -1.119 -7.287 129 HB3 ASN 18 2HB ASN 18 15.239 0.225 -6.429 130 HD21 ASN 18 2HD2 ASN 18 16.955 -0.649 -9.111 131 HD22 ASN 18 1HD2 ASN 18 17.516 0.947 -9.530 132 H TYR 19 H TYR 19 15.684 -1.260 -3.437 133 HA TYR 19 HA TYR 19 14.934 1.430 -2.560 134 HB2 TYR 19 1HB TYR 19 14.829 -1.358 -1.287 135 HB3 TYR 19 2HB TYR 19 14.286 0.102 -0.471 136 HD1 TYR 19 HD2 TYR 19 13.666 -1.897 -3.591 137 HD2 TYR 19 HD1 TYR 19 11.950 0.892 -0.772 138 HE1 TYR 19 HE2 TYR 19 11.496 -2.296 -4.607 139 HE2 TYR 19 HE1 TYR 19 9.727 0.530 -1.860 140 HH TYR 19 HH TYR 19 9.326 -1.629 -4.676 141 H CYS 20 H CYS 20 17.708 -0.646 -2.125 142 HA CYS 20 HA CYS 20 18.936 1.344 -0.434 143 HB2 CYS 20 1HB CYS 20 17.626 0.008 1.191 144 HB3 CYS 20 2HB CYS 20 18.491 -1.446 0.649 145 H ASN 21 H ASN 21 20.489 1.553 -1.797 146 HA ASN 21 HA ASN 21 22.479 1.337 -2.806 147 HB2 ASN 21 1HB ASN 21 23.036 -1.377 -1.744 148 HB3 ASN 21 2HB ASN 21 24.140 -0.092 -2.034 149 HD21 ASN 21 2HD2 ASN 21 23.553 1.969 -0.605 150 HD22 ASN 21 1HD2 ASN 21 23.296 1.488 1.062 151 HXT ASN 21 H02 ASN 21 21.175 -1.659 -4.546 152 H1 PHE 31 2H0 PHE 31 19.197 -16.968 -0.229 153 H2 PHE 31 1H0 PHE 31 19.810 -15.957 -1.344 154 HA PHE 31 HA PHE 31 17.334 -15.239 -0.031 155 HB2 PHE 31 1HB PHE 31 18.744 -13.762 -1.697 156 HB3 PHE 31 2HB PHE 31 18.108 -14.877 -2.935 157 HD1 PHE 31 HD1 PHE 31 15.561 -14.670 -3.641 158 HD2 PHE 31 HD2 PHE 31 17.438 -12.231 -0.532 159 HE1 PHE 31 HE1 PHE 31 13.601 -13.216 -3.524 160 HE2 PHE 31 HE2 PHE 31 15.441 -10.797 -0.520 161 HZ PHE 31 HZ PHE 31 13.482 -11.350 -1.922 162 H VAL 32 H VAL 32 15.340 -15.687 -0.951 163 HA VAL 32 HA VAL 32 15.097 -18.120 -2.600 164 HB VAL 32 HB VAL 32 15.043 -19.111 -0.383 165 HG11 VAL 32 1HG1 VAL 32 13.528 -18.436 1.406 166 HG12 VAL 32 2HG1 VAL 32 14.526 -17.033 0.945 167 HG13 VAL 32 3HG1 VAL 32 12.831 -17.142 0.374 168 HG21 VAL 32 3HG2 VAL 32 13.348 -19.899 -2.048 169 HG22 VAL 32 1HG2 VAL 32 12.796 -20.134 -0.381 170 HG23 VAL 32 2HG2 VAL 32 12.154 -18.772 -1.336 171 H ASN 33 H ASN 33 13.505 -17.884 -4.070 172 HA ASN 33 HA ASN 33 11.895 -15.375 -4.019 173 HB2 ASN 33 1HB ASN 33 11.931 -17.707 -5.967 174 HB3 ASN 33 2HB ASN 33 11.033 -16.214 -6.158 175 HD21 ASN 33 2HD2 ASN 33 13.133 -17.350 -7.833 176 HD22 ASN 33 1HD2 ASN 33 14.362 -16.080 -7.927 177 H GLN 34 H GLN 34 10.204 -15.337 -2.685 178 HA GLN 34 HA GLN 34 8.112 -17.371 -2.888 179 HB2 GLN 34 1HB GLN 34 7.985 -17.722 -0.469 180 HB3 GLN 34 2HB GLN 34 9.564 -18.267 -1.099 181 HG2 GLN 34 1HG GLN 34 10.676 -16.301 -0.099 182 HG3 GLN 34 2HG GLN 34 9.116 -15.520 0.245 183 HE21 GLN 34 2HE2 GLN 34 10.341 -18.846 0.792 184 HE22 GLN 34 1HE2 GLN 34 10.079 -18.821 2.545 185 H HIS 35 H HIS 35 6.180 -16.499 -1.453 186 HA HIS 35 HA HIS 35 5.875 -13.681 -2.003 187 HB2 HIS 35 1HB HIS 35 4.200 -15.636 -0.465 188 HB3 HIS 35 2HB HIS 35 3.699 -13.961 -0.655 189 HD1 HIS 35 HD1 HIS 35 2.992 -13.167 -3.023 190 HD2 HIS 35 HD2 HIS 35 3.820 -17.256 -2.728 191 HE1 HIS 35 HE1 HIS 35 2.142 -14.272 -5.146 192 HE2 HIS 35 HE2 HIS 35 2.675 -16.738 -4.951 193 H LEU 36 H LEU 36 7.841 -12.920 -0.757 194 HA LEU 36 HA LEU 36 7.873 -13.135 2.077 195 HB2 LEU 36 1HB LEU 36 8.985 -11.045 0.177 196 HB3 LEU 36 2HB LEU 36 9.416 -11.112 1.883 197 HG LEU 36 HG LEU 36 10.026 -13.424 0.082 198 HD11 LEU 36 1HD1 LEU 36 11.759 -11.119 0.815 199 HD12 LEU 36 2HD1 LEU 36 11.018 -11.449 -0.747 200 HD13 LEU 36 3HD1 LEU 36 12.207 -12.577 -0.068 201 HD21 LEU 36 3HD2 LEU 36 11.657 -13.910 1.912 202 HD22 LEU 36 1HD2 LEU 36 9.954 -13.964 2.427 203 HD23 LEU 36 2HD2 LEU 36 10.954 -12.561 2.830 204 H CYS 37 H CYS 37 6.578 -12.242 3.482 205 HA CYS 37 HA CYS 37 5.136 -9.749 2.798 206 HB2 CYS 37 1HB CYS 37 4.057 -12.008 2.123 207 HB3 CYS 37 2HB CYS 37 3.568 -12.129 3.814 208 H GLY 38 H GLY 38 3.399 -10.933 5.269 209 HA2 GLY 38 1HA GLY 38 4.051 -9.359 7.311 210 HA3 GLY 38 2HA GLY 38 3.656 -11.057 7.562 211 H SER 39 H SER 39 5.994 -8.675 7.916 212 HA SER 39 HA SER 39 8.020 -8.477 8.825 213 HB2 SER 39 1HB SER 39 7.031 -9.861 10.632 214 HB3 SER 39 2HB SER 39 7.628 -11.317 9.784 215 HG SER 39 HG SER 39 8.921 -10.287 11.614 216 H HIS 40 H HIS 40 7.824 -11.597 7.156 217 HA HIS 40 HA HIS 40 10.645 -11.943 6.778 218 HB2 HIS 40 1HB HIS 40 8.109 -12.988 5.719 219 HB3 HIS 40 2HB HIS 40 9.370 -12.916 4.501 220 HD1 HIS 40 HD1 HIS 40 9.210 -15.618 4.509 221 HD2 HIS 40 HD2 HIS 40 10.791 -13.799 7.971 222 HE1 HIS 40 HE1 HIS 40 10.427 -17.419 5.837 223 HE2 HIS 40 HE2 HIS 40 11.249 -16.315 7.954 224 H LEU 41 H LEU 41 8.301 -9.987 4.764 225 HA LEU 41 HA LEU 41 10.336 -9.443 2.780 226 HB2 LEU 41 1HB LEU 41 7.933 -9.143 2.454 227 HB3 LEU 41 2HB LEU 41 7.874 -7.839 3.633 228 HG LEU 41 HG LEU 41 9.491 -6.598 2.136 229 HD11 LEU 41 1HD1 LEU 41 10.326 -8.466 0.721 230 HD12 LEU 41 2HD1 LEU 41 9.585 -7.172 -0.260 231 HD13 LEU 41 3HD1 LEU 41 8.683 -8.677 0.071 232 HD21 LEU 41 3HD2 LEU 41 7.260 -5.933 2.250 233 HD22 LEU 41 1HD2 LEU 41 6.726 -7.272 1.207 234 HD23 LEU 41 2HD2 LEU 41 7.712 -5.960 0.535 235 H VAL 42 H VAL 42 9.380 -7.438 5.652 236 HA VAL 42 HA VAL 42 11.402 -5.481 4.944 237 HB VAL 42 HB VAL 42 9.336 -4.972 6.349 238 HG11 VAL 42 1HG1 VAL 42 9.432 -6.945 7.955 239 HG12 VAL 42 2HG1 VAL 42 10.938 -6.250 8.659 240 HG13 VAL 42 3HG1 VAL 42 9.392 -5.413 8.811 241 HG21 VAL 42 3HG2 VAL 42 11.310 -3.395 6.251 242 HG22 VAL 42 1HG2 VAL 42 10.450 -3.308 7.827 243 HG23 VAL 42 2HG2 VAL 42 11.992 -4.212 7.687 244 H GLU 43 H GLU 43 11.333 -8.477 6.776 245 HA GLU 43 HA GLU 43 13.877 -7.948 8.016 246 HB2 GLU 43 1HB GLU 43 12.232 -9.635 8.722 247 HB3 GLU 43 2HB GLU 43 12.647 -10.641 7.310 248 HG2 GLU 43 1HG GLU 43 15.034 -10.793 8.156 249 HG3 GLU 43 2HG GLU 43 14.540 -9.777 9.540 250 HE2 GLU 43 HE2 GLU 43 14.872 -11.206 10.985 251 H ALA 44 H ALA 44 12.941 -9.482 4.897 252 HA ALA 44 HA ALA 44 15.629 -10.088 4.264 253 HB1 ALA 44 3HB ALA 44 13.931 -11.226 2.997 254 HB2 ALA 44 1HB ALA 44 13.200 -9.679 2.482 255 HB3 ALA 44 2HB ALA 44 14.794 -10.156 1.886 256 H LEU 45 H LEU 45 13.614 -7.276 3.759 257 HA LEU 45 HA LEU 45 15.410 -5.817 2.089 258 HB2 LEU 45 1HB LEU 45 13.045 -5.231 2.543 259 HB3 LEU 45 2HB LEU 45 13.486 -4.723 4.172 260 HG LEU 45 HG LEU 45 14.841 -2.885 3.332 261 HD11 LEU 45 1HD1 LEU 45 13.879 -3.568 0.505 262 HD12 LEU 45 2HD1 LEU 45 15.557 -3.834 1.077 263 HD13 LEU 45 3HD1 LEU 45 14.864 -2.168 0.974 264 HD21 LEU 45 3HD2 LEU 45 12.431 -2.743 3.817 265 HD22 LEU 45 1HD2 LEU 45 12.087 -3.013 2.111 266 HD23 LEU 45 2HD2 LEU 45 12.954 -1.558 2.613 267 H TYR 46 H TYR 46 15.169 -6.013 5.647 268 HA TYR 46 HA TYR 46 17.262 -4.179 6.195 269 HB2 TYR 46 1HB TYR 46 15.893 -4.777 8.064 270 HB3 TYR 46 2HB TYR 46 16.022 -6.520 7.743 271 HD1 TYR 46 HD1 TYR 46 18.277 -3.612 8.553 272 HD2 TYR 46 HD2 TYR 46 17.512 -7.780 8.946 273 HE1 TYR 46 HE1 TYR 46 20.206 -3.796 10.064 274 HE2 TYR 46 HE2 TYR 46 19.431 -8.002 10.541 275 HH TYR 46 HH TYR 46 21.323 -6.842 11.360 276 H LEU 47 H LEU 47 17.236 -7.729 5.497 277 HA LEU 47 HA LEU 47 19.960 -8.112 6.234 278 HB2 LEU 47 1HB LEU 47 18.126 -9.724 4.404 279 HB3 LEU 47 2HB LEU 47 19.823 -10.170 4.761 280 HG LEU 47 HG LEU 47 17.801 -9.670 6.987 281 HD11 LEU 47 1HD1 LEU 47 16.982 -11.520 5.328 282 HD12 LEU 47 2HD1 LEU 47 17.184 -12.021 7.039 283 HD13 LEU 47 3HD1 LEU 47 18.436 -12.458 5.831 284 HD21 LEU 47 3HD2 LEU 47 19.361 -11.373 8.139 285 HD22 LEU 47 1HD2 LEU 47 20.097 -9.793 7.798 286 HD23 LEU 47 2HD2 LEU 47 20.498 -11.173 6.722 287 H VAL 48 H VAL 48 18.446 -7.215 3.070 288 HA VAL 48 HA VAL 48 21.016 -7.241 1.747 289 HB VAL 48 HB VAL 48 19.767 -6.387 -0.210 290 HG11 VAL 48 1HG1 VAL 48 18.286 -8.649 1.130 291 HG12 VAL 48 2HG1 VAL 48 18.333 -8.358 -0.632 292 HG13 VAL 48 3HG1 VAL 48 19.815 -8.826 0.258 293 HG21 VAL 48 3HG2 VAL 48 18.074 -4.920 0.661 294 HG22 VAL 48 1HG2 VAL 48 17.223 -6.262 -0.191 295 HG23 VAL 48 2HG2 VAL 48 17.362 -6.254 1.586 296 H CYS 49 H CYS 49 19.201 -4.956 3.581 297 HA CYS 49 HA CYS 49 20.656 -2.667 2.307 298 HB2 CYS 49 1HB CYS 49 18.227 -2.624 2.862 299 HB3 CYS 49 2HB CYS 49 18.626 -2.766 4.551 300 H GLY 50 H GLY 50 20.268 -3.896 5.688 301 HA2 GLY 50 1HA GLY 50 21.778 -3.783 7.455 302 HA3 GLY 50 2HA GLY 50 22.944 -3.077 6.354 303 H GLU 51 H GLU 51 22.073 -0.848 5.555 304 HA GLU 51 HA GLU 51 21.990 1.369 6.177 305 HB2 GLU 51 1HB GLU 51 19.507 0.338 6.366 306 HB3 GLU 51 2HB GLU 51 19.604 0.975 7.955 307 HG2 GLU 51 1HG GLU 51 20.584 3.049 6.285 308 HG3 GLU 51 2HG GLU 51 19.098 2.410 5.574 309 HE2 GLU 51 HE2 GLU 51 17.569 3.329 6.140 310 H GLN 52 H GLN 52 20.628 1.809 9.119 311 HA GLN 52 HA GLN 52 23.179 1.452 10.622 312 HB2 GLN 52 1HB GLN 52 21.016 3.607 10.748 313 HB3 GLN 52 2HB GLN 52 22.298 3.447 11.977 314 HG2 GLN 52 1HG GLN 52 22.627 4.109 9.038 315 HG3 GLN 52 2HG GLN 52 22.844 5.263 10.328 316 HE21 GLN 52 2HE2 GLN 52 24.505 3.646 8.077 317 HE22 GLN 52 1HE2 GLN 52 26.036 3.406 8.929 318 H GLY 53 H GLY 53 20.877 -0.430 10.096 319 HA2 GLY 53 1HA GLY 53 19.802 -1.864 11.775 320 HA3 GLY 53 2HA GLY 53 19.649 -0.482 12.835 321 H PHE 54 H PHE 54 17.240 -1.837 12.107 322 HA PHE 54 HA PHE 54 15.980 0.157 10.234 323 HB2 PHE 54 1HB PHE 54 15.555 -2.799 10.531 324 HB3 PHE 54 2HB PHE 54 14.132 -1.764 10.265 325 HD1 PHE 54 HD2 PHE 54 17.524 -1.235 8.771 326 HD2 PHE 54 HD1 PHE 54 13.362 -2.342 8.202 327 HE1 PHE 54 HE2 PHE 54 17.880 -1.262 6.363 328 HE2 PHE 54 HE1 PHE 54 13.802 -2.491 5.777 329 HZ PHE 54 HZ PHE 54 16.026 -1.945 4.802 330 H PHE 55 H PHE 55 13.983 -1.890 12.217 331 HA PHE 55 HA PHE 55 13.513 0.374 14.074 332 HB2 PHE 55 1HB PHE 55 11.771 0.180 12.278 333 HB3 PHE 55 2HB PHE 55 11.162 -1.266 13.146 334 HD1 PHE 55 HD2 PHE 55 11.944 2.388 13.558 335 HD2 PHE 55 HD1 PHE 55 9.714 -1.041 14.939 336 HE1 PHE 55 HE2 PHE 55 10.562 3.907 14.961 337 HE2 PHE 55 HE1 PHE 55 8.314 0.434 16.354 338 HZ PHE 55 HZ PHE 55 8.750 2.876 16.401 339 H TYR 56 H TYR 56 15.192 -1.864 14.390 340 HA TYR 56 HA TYR 56 14.054 -2.811 16.978 341 HB2 TYR 56 1HB TYR 56 13.399 -4.615 15.549 342 HB3 TYR 56 2HB TYR 56 14.958 -4.638 14.730 343 HD1 TYR 56 HD2 TYR 56 13.346 -5.220 17.997 344 HD2 TYR 56 HD1 TYR 56 16.800 -5.892 15.535 345 HE1 TYR 56 HE2 TYR 56 14.174 -6.963 19.655 346 HE2 TYR 56 HE1 TYR 56 17.606 -7.626 17.196 347 HH TYR 56 HH TYR 56 15.758 -8.468 20.108 348 H THR 57 H THR 57 15.856 -3.305 18.420 349 HA THR 57 HA THR 57 18.516 -2.639 17.274 350 HB THR 57 HB THR 57 17.778 -0.658 18.470 351 HG1 THR 57 HG1 THR 57 19.587 -0.656 20.040 352 HG21 THR 57 1HG2 THR 57 17.693 -2.340 21.048 353 HG22 THR 57 2HG2 THR 57 16.252 -1.757 20.204 354 HG23 THR 57 3HG2 THR 57 17.395 -0.602 20.894 355 HA PRO 58 HA PRO 58 19.084 -6.659 19.157 356 HB2 PRO 58 1HB PRO 58 21.498 -7.334 18.285 357 HB3 PRO 58 2HB PRO 58 20.173 -7.206 17.086 358 HG2 PRO 58 1HG PRO 58 22.247 -5.140 17.791 359 HG3 PRO 58 2HG PRO 58 21.755 -5.715 16.173 360 HD2 PRO 58 1HD PRO 58 20.732 -3.484 17.066 361 HD3 PRO 58 2HD PRO 58 19.743 -4.656 16.113 362 H LYS 59 H LYS 59 20.626 -7.716 20.627 363 HA LYS 59 HA LYS 59 22.574 -5.867 21.937 364 HB2 LYS 59 1HB LYS 59 20.420 -5.994 23.260 365 HB3 LYS 59 2HB LYS 59 20.635 -7.759 23.350 366 HG2 LYS 59 1HG LYS 59 21.471 -7.098 25.385 367 HG3 LYS 59 2HG LYS 59 22.944 -7.265 24.454 368 HD2 LYS 59 1HD LYS 59 22.785 -4.782 24.016 369 HD3 LYS 59 2HD LYS 59 21.445 -4.779 25.159 370 HE2 LYS 59 1HE LYS 59 24.249 -5.695 25.784 371 HE3 LYS 59 2HE LYS 59 23.614 -4.119 26.269 372 HZ1 LYS 59 3HZ LYS 59 22.497 -6.731 27.150 373 HZ2 LYS 59 1HZ LYS 59 21.995 -5.244 27.633 374 HZ3 LYS 59 2HZ LYS 59 23.502 -5.766 28.038 375 H THR 60 H THR 60 24.300 -6.837 20.885 376 HA THR 60 HA THR 60 24.861 -9.636 21.583 377 HB THR 60 HB THR 60 25.188 -8.704 18.721 378 HG1 THR 60 HG1 THR 60 23.151 -10.012 18.532 379 HG21 THR 60 1HG2 THR 60 25.006 -11.444 20.059 380 HG22 THR 60 2HG2 THR 60 26.430 -10.730 19.303 381 HG23 THR 60 3HG2 THR 60 25.033 -11.213 18.325 382 HXT THR 60 H02 THR 60 26.583 -9.429 22.446 Start of MODEL 27 1 H1 GLY 1 2H0 GLY 1 3.638 1.613 -3.088 2 H2 GLY 1 1H0 GLY 1 2.444 0.789 -2.408 3 HA2 GLY 1 1HA GLY 1 4.882 1.749 -1.045 4 HA3 GLY 1 2HA GLY 1 3.594 0.920 -0.167 5 H ILE 2 H ILE 2 6.493 0.238 -0.288 6 HA ILE 2 HA ILE 2 6.789 -1.962 -2.042 7 HB ILE 2 HB ILE 2 8.731 -0.882 -0.817 8 HG12 ILE 2 1HG1 ILE 2 8.409 -3.882 -0.405 9 HG13 ILE 2 2HG1 ILE 2 8.873 -3.084 -1.921 10 HG21 ILE 2 1HG2 ILE 2 9.269 -1.464 1.496 11 HG22 ILE 2 2HG2 ILE 2 7.623 -0.719 1.456 12 HG23 ILE 2 3HG2 ILE 2 7.804 -2.487 1.620 13 HD11 ILE 2 3HD1 ILE 2 10.877 -2.100 -0.568 14 HD12 ILE 2 1HD1 ILE 2 10.425 -3.254 0.722 15 HD13 ILE 2 2HD1 ILE 2 10.937 -3.862 -0.875 16 H VAL 3 H VAL 3 5.257 -1.851 1.204 17 HA VAL 3 HA VAL 3 5.107 -4.656 1.550 18 HB VAL 3 HB VAL 3 3.124 -2.522 2.470 19 HG11 VAL 3 1HG1 VAL 3 2.458 -4.093 4.197 20 HG12 VAL 3 2HG1 VAL 3 2.184 -4.783 2.591 21 HG13 VAL 3 3HG1 VAL 3 3.572 -5.308 3.565 22 HG21 VAL 3 3HG2 VAL 3 5.411 -2.059 3.248 23 HG22 VAL 3 1HG2 VAL 3 4.399 -2.579 4.596 24 HG23 VAL 3 2HG2 VAL 3 5.548 -3.727 3.893 25 H GLU 4 H GLU 4 2.685 -2.401 0.082 26 HA GLU 4 HA GLU 4 0.939 -4.690 -0.422 27 HB2 GLU 4 1HB GLU 4 -0.523 -3.246 -1.479 28 HB3 GLU 4 2HB GLU 4 0.167 -2.384 -0.136 29 HG2 GLU 4 1HG GLU 4 1.775 -1.286 -1.700 30 HG3 GLU 4 2HG GLU 4 0.844 -2.021 -3.018 31 HE2 GLU 4 HE2 GLU 4 -1.270 -1.584 -3.118 32 H GLN 5 H GLN 5 3.400 -3.054 -2.332 33 HA GLN 5 HA GLN 5 2.986 -4.332 -4.879 34 HB2 GLN 5 1HB GLN 5 4.569 -2.440 -4.437 35 HB3 GLN 5 2HB GLN 5 5.621 -3.523 -3.538 36 HG2 GLN 5 1HG GLN 5 4.858 -4.378 -6.302 37 HG3 GLN 5 2HG GLN 5 5.841 -2.906 -6.172 38 HE21 GLN 5 2HE2 GLN 5 6.065 -6.273 -6.397 39 HE22 GLN 5 1HE2 GLN 5 7.741 -6.431 -5.852 40 H CYS 6 H CYS 6 5.239 -5.266 -2.119 41 HA CYS 6 HA CYS 6 5.913 -7.603 -3.710 42 HB2 CYS 6 1HB CYS 6 7.088 -6.289 -1.489 43 HB3 CYS 6 2HB CYS 6 6.748 -7.946 -0.943 44 H CYS 7 H CYS 7 3.524 -6.955 -1.346 45 HA CYS 7 HA CYS 7 3.147 -9.706 -0.507 46 HB2 CYS 7 1HB CYS 7 2.597 -7.530 0.767 47 HB3 CYS 7 2HB CYS 7 1.137 -7.482 -0.259 48 H THR 8 H THR 8 2.375 -8.149 -3.397 49 HA THR 8 HA THR 8 0.263 -10.189 -3.969 50 HB THR 8 HB THR 8 -0.540 -8.591 -5.663 51 HG1 THR 8 HG1 THR 8 1.111 -6.672 -4.535 52 HG21 THR 8 1HG2 THR 8 -0.436 -7.066 -3.117 53 HG22 THR 8 2HG2 THR 8 -1.303 -8.610 -3.211 54 HG23 THR 8 3HG2 THR 8 -1.758 -7.272 -4.272 55 H SER 9 H SER 9 3.520 -9.195 -4.746 56 HA SER 9 HA SER 9 3.356 -10.762 -7.314 57 HB2 SER 9 1HB SER 9 5.279 -8.533 -6.647 58 HB3 SER 9 2HB SER 9 5.100 -9.377 -8.207 59 HG SER 9 HG SER 9 3.992 -7.274 -7.868 60 H ILE 10 H ILE 10 5.445 -11.791 -7.913 61 HA ILE 10 HA ILE 10 6.758 -13.118 -5.667 62 HB ILE 10 HB ILE 10 7.486 -12.839 -8.647 63 HG12 ILE 10 1HG1 ILE 10 5.332 -14.153 -8.161 64 HG13 ILE 10 2HG1 ILE 10 6.604 -15.089 -8.946 65 HG21 ILE 10 1HG2 ILE 10 8.760 -14.629 -6.523 66 HG22 ILE 10 2HG2 ILE 10 9.028 -14.763 -8.284 67 HG23 ILE 10 3HG2 ILE 10 9.549 -13.289 -7.385 68 HD11 ILE 10 3HD1 ILE 10 5.445 -16.355 -7.116 69 HD12 ILE 10 1HD1 ILE 10 7.195 -16.323 -7.022 70 HD13 ILE 10 2HD1 ILE 10 6.261 -15.295 -5.963 71 H CYS 11 H CYS 11 8.665 -12.262 -4.685 72 HA CYS 11 HA CYS 11 9.226 -9.505 -5.406 73 HB2 CYS 11 1HB CYS 11 10.277 -11.328 -3.214 74 HB3 CYS 11 2HB CYS 11 10.683 -9.589 -3.380 75 H SER 12 H SER 12 10.619 -8.983 -6.964 76 HA SER 12 HA SER 12 12.773 -10.854 -7.767 77 HB2 SER 12 1HB SER 12 12.793 -8.057 -8.762 78 HB3 SER 12 2HB SER 12 12.819 -9.591 -9.666 79 HG SER 12 HG SER 12 10.674 -9.698 -9.667 80 H LEU 13 H LEU 13 14.871 -10.680 -6.756 81 HA LEU 13 HA LEU 13 15.357 -8.788 -4.712 82 HB2 LEU 13 1HB LEU 13 17.439 -9.752 -4.404 83 HB3 LEU 13 2HB LEU 13 16.390 -11.087 -4.875 84 HG LEU 13 HG LEU 13 17.429 -10.516 -7.314 85 HD11 LEU 13 1HD1 LEU 13 19.884 -10.005 -6.998 86 HD12 LEU 13 2HD1 LEU 13 19.545 -9.696 -5.287 87 HD13 LEU 13 3HD1 LEU 13 18.828 -8.681 -6.545 88 HD21 LEU 13 3HD2 LEU 13 19.234 -12.213 -6.804 89 HD22 LEU 13 1HD2 LEU 13 17.553 -12.717 -6.454 90 HD23 LEU 13 2HD2 LEU 13 18.644 -12.215 -5.144 91 H TYR 14 H TYR 14 16.001 -8.934 -8.106 92 HA TYR 14 HA TYR 14 17.944 -6.866 -8.365 93 HB2 TYR 14 1HB TYR 14 17.141 -8.531 -10.149 94 HB3 TYR 14 2HB TYR 14 15.641 -7.643 -10.310 95 HD1 TYR 14 HD1 TYR 14 15.813 -5.144 -10.996 96 HD2 TYR 14 HD2 TYR 14 19.077 -7.942 -11.263 97 HE1 TYR 14 HE1 TYR 14 16.923 -3.681 -12.686 98 HE2 TYR 14 HE2 TYR 14 20.243 -6.480 -12.907 99 HH TYR 14 HH TYR 14 20.167 -4.476 -14.034 100 H GLN 15 H GLN 15 14.354 -6.867 -8.288 101 HA GLN 15 HA GLN 15 14.218 -4.016 -8.592 102 HB2 GLN 15 1HB GLN 15 12.432 -5.589 -9.314 103 HB3 GLN 15 2HB GLN 15 12.209 -6.053 -7.628 104 HG2 GLN 15 1HG GLN 15 11.458 -3.739 -7.052 105 HG3 GLN 15 2HG GLN 15 11.690 -3.243 -8.709 106 HE21 GLN 15 2HE2 GLN 15 9.343 -2.614 -8.374 107 HE22 GLN 15 1HE2 GLN 15 8.137 -3.853 -8.646 108 H LEU 16 H LEU 16 14.141 -6.322 -5.826 109 HA LEU 16 HA LEU 16 13.270 -4.415 -3.905 110 HB2 LEU 16 1HB LEU 16 13.369 -6.901 -3.737 111 HB3 LEU 16 2HB LEU 16 15.066 -6.810 -3.314 112 HG LEU 16 HG LEU 16 13.346 -5.089 -1.646 113 HD11 LEU 16 1HD1 LEU 16 12.137 -6.783 -0.482 114 HD12 LEU 16 2HD1 LEU 16 12.822 -8.058 -1.490 115 HD13 LEU 16 3HD1 LEU 16 11.722 -6.874 -2.190 116 HD21 LEU 16 3HD2 LEU 16 14.413 -6.097 0.216 117 HD22 LEU 16 1HD2 LEU 16 15.642 -5.703 -1.061 118 HD23 LEU 16 2HD2 LEU 16 15.083 -7.387 -0.809 119 H GLU 17 H GLU 17 16.555 -5.136 -5.232 120 HA GLU 17 HA GLU 17 17.960 -3.656 -3.207 121 HB2 GLU 17 1HB GLU 17 18.578 -4.435 -6.123 122 HB3 GLU 17 2HB GLU 17 19.711 -3.558 -5.068 123 HG2 GLU 17 1HG GLU 17 19.897 -5.283 -3.520 124 HG3 GLU 17 2HG GLU 17 18.529 -6.163 -4.202 125 HE2 GLU 17 HE2 GLU 17 20.448 -7.048 -7.055 126 H ASN 18 H ASN 18 16.018 -2.486 -5.910 127 HA ASN 18 HA ASN 18 17.331 0.114 -6.068 128 HB2 ASN 18 1HB ASN 18 15.847 -0.970 -7.811 129 HB3 ASN 18 2HB ASN 18 14.439 -0.603 -6.773 130 HD21 ASN 18 2HD2 ASN 18 13.389 1.009 -7.706 131 HD22 ASN 18 1HD2 ASN 18 14.140 2.510 -8.270 132 H TYR 19 H TYR 19 15.130 -1.394 -3.807 133 HA TYR 19 HA TYR 19 14.118 1.155 -2.811 134 HB2 TYR 19 1HB TYR 19 14.042 -1.656 -1.618 135 HB3 TYR 19 2HB TYR 19 13.368 -0.257 -0.796 136 HD1 TYR 19 HD2 TYR 19 13.014 -2.464 -3.757 137 HD2 TYR 19 HD1 TYR 19 11.231 0.761 -1.534 138 HE1 TYR 19 HE2 TYR 19 10.959 -2.643 -5.117 139 HE2 TYR 19 HE1 TYR 19 9.160 0.483 -2.898 140 HH TYR 19 HH TYR 19 8.739 -2.101 -5.269 141 H CYS 20 H CYS 20 16.967 -0.630 -2.707 142 HA CYS 20 HA CYS 20 17.965 0.745 -0.217 143 HB2 CYS 20 1HB CYS 20 18.161 -1.833 -0.466 144 HB3 CYS 20 2HB CYS 20 19.201 -1.526 -1.858 145 H ASN 21 H ASN 21 17.430 2.027 -2.810 146 HA ASN 21 HA ASN 21 20.024 3.395 -3.013 147 HB2 ASN 21 1HB ASN 21 20.404 1.579 -4.745 148 HB3 ASN 21 2HB ASN 21 18.924 2.042 -5.576 149 HD21 ASN 21 2HD2 ASN 21 22.057 3.198 -4.628 150 HD22 ASN 21 1HD2 ASN 21 22.151 4.366 -5.876 151 HXT ASN 21 H02 ASN 21 17.251 3.078 -4.861 152 H1 PHE 31 2H0 PHE 31 18.943 -15.252 -0.084 153 H2 PHE 31 1H0 PHE 31 19.467 -14.420 -1.386 154 HA PHE 31 HA PHE 31 17.035 -13.807 0.111 155 HB2 PHE 31 1HB PHE 31 18.293 -11.928 -1.037 156 HB3 PHE 31 2HB PHE 31 18.128 -12.782 -2.556 157 HD1 PHE 31 HD1 PHE 31 15.896 -13.257 -3.432 158 HD2 PHE 31 HD2 PHE 31 16.506 -10.591 -0.258 159 HE1 PHE 31 HE1 PHE 31 13.651 -12.313 -3.844 160 HE2 PHE 31 HE2 PHE 31 14.183 -9.526 -0.620 161 HZ PHE 31 HZ PHE 31 12.800 -10.493 -2.439 162 H VAL 32 H VAL 32 15.121 -14.710 -0.651 163 HA VAL 32 HA VAL 32 15.468 -16.629 -2.878 164 HB VAL 32 HB VAL 32 13.552 -17.879 -1.929 165 HG11 VAL 32 1HG1 VAL 32 14.833 -19.090 -0.337 166 HG12 VAL 32 2HG1 VAL 32 15.983 -18.433 -1.484 167 HG13 VAL 32 3HG1 VAL 32 15.773 -17.648 0.103 168 HG21 VAL 32 3HG2 VAL 32 12.800 -17.525 0.330 169 HG22 VAL 32 1HG2 VAL 32 13.925 -16.229 0.612 170 HG23 VAL 32 2HG2 VAL 32 12.595 -16.018 -0.510 171 H ASN 33 H ASN 33 14.061 -16.624 -4.563 172 HA ASN 33 HA ASN 33 12.402 -14.226 -4.833 173 HB2 ASN 33 1HB ASN 33 12.886 -16.642 -6.643 174 HB3 ASN 33 2HB ASN 33 11.880 -15.261 -7.050 175 HD21 ASN 33 2HD2 ASN 33 12.993 -13.013 -6.691 176 HD22 ASN 33 1HD2 ASN 33 14.656 -12.979 -7.388 177 H GLN 34 H GLN 34 10.763 -14.425 -3.224 178 HA GLN 34 HA GLN 34 8.767 -16.555 -3.875 179 HB2 GLN 34 1HB GLN 34 10.293 -17.403 -2.066 180 HB3 GLN 34 2HB GLN 34 9.911 -15.971 -1.081 181 HG2 GLN 34 1HG GLN 34 7.657 -16.741 -0.800 182 HG3 GLN 34 2HG GLN 34 7.911 -18.088 -1.895 183 HE21 GLN 34 2HE2 GLN 34 7.404 -19.540 -0.124 184 HE22 GLN 34 1HE2 GLN 34 8.547 -19.896 1.100 185 H HIS 35 H HIS 35 6.668 -15.965 -2.566 186 HA HIS 35 HA HIS 35 6.156 -13.127 -2.936 187 HB2 HIS 35 1HB HIS 35 4.597 -15.287 -1.440 188 HB3 HIS 35 2HB HIS 35 3.996 -13.646 -1.776 189 HD1 HIS 35 HD1 HIS 35 3.955 -13.038 -4.532 190 HD2 HIS 35 HD2 HIS 35 3.811 -17.075 -3.359 191 HE1 HIS 35 HE1 HIS 35 2.995 -14.363 -6.500 192 HE2 HIS 35 HE2 HIS 35 2.962 -16.768 -5.711 193 H LEU 36 H LEU 36 6.395 -11.546 -1.305 194 HA LEU 36 HA LEU 36 7.117 -12.546 1.435 195 HB2 LEU 36 1HB LEU 36 8.485 -10.359 -0.145 196 HB3 LEU 36 2HB LEU 36 8.764 -10.685 1.519 197 HG LEU 36 HG LEU 36 9.558 -12.488 -0.791 198 HD11 LEU 36 1HD1 LEU 36 11.258 -11.043 1.272 199 HD12 LEU 36 2HD1 LEU 36 10.952 -10.471 -0.375 200 HD13 LEU 36 3HD1 LEU 36 11.812 -11.980 -0.155 201 HD21 LEU 36 3HD2 LEU 36 10.790 -13.724 1.225 202 HD22 LEU 36 1HD2 LEU 36 9.137 -14.108 0.832 203 HD23 LEU 36 2HD2 LEU 36 9.493 -13.004 2.191 204 H CYS 37 H CYS 37 5.992 -11.628 3.000 205 HA CYS 37 HA CYS 37 4.785 -8.902 2.630 206 HB2 CYS 37 1HB CYS 37 3.175 -10.942 2.045 207 HB3 CYS 37 2HB CYS 37 3.180 -11.147 3.812 208 H GLY 38 H GLY 38 3.747 -8.351 4.931 209 HA2 GLY 38 1HA GLY 38 4.415 -7.635 6.969 210 HA3 GLY 38 2HA GLY 38 4.246 -9.351 7.348 211 H SER 39 H SER 39 5.752 -10.136 8.452 212 HA SER 39 HA SER 39 8.147 -8.757 9.077 213 HB2 SER 39 1HB SER 39 8.701 -10.890 10.189 214 HB3 SER 39 2HB SER 39 7.137 -10.147 10.649 215 HG SER 39 HG SER 39 6.769 -12.317 10.252 216 H HIS 40 H HIS 40 7.553 -11.350 6.723 217 HA HIS 40 HA HIS 40 10.305 -12.134 6.475 218 HB2 HIS 40 1HB HIS 40 7.999 -12.434 4.466 219 HB3 HIS 40 2HB HIS 40 9.582 -13.268 4.425 220 HD1 HIS 40 HD1 HIS 40 7.236 -15.073 4.391 221 HD2 HIS 40 HD2 HIS 40 8.949 -13.756 7.955 222 HE1 HIS 40 HE1 HIS 40 6.593 -16.775 6.147 223 HE2 HIS 40 HE2 HIS 40 7.594 -15.983 8.349 224 H LEU 41 H LEU 41 8.209 -9.749 4.863 225 HA LEU 41 HA LEU 41 10.109 -9.147 2.821 226 HB2 LEU 41 1HB LEU 41 7.704 -8.557 2.698 227 HB3 LEU 41 2HB LEU 41 7.870 -7.463 4.055 228 HG LEU 41 HG LEU 41 9.164 -5.941 2.609 229 HD11 LEU 41 1HD1 LEU 41 9.464 -6.389 0.213 230 HD12 LEU 41 2HD1 LEU 41 8.835 -8.050 0.503 231 HD13 LEU 41 3HD1 LEU 41 10.352 -7.509 1.232 232 HD21 LEU 41 3HD2 LEU 41 6.877 -5.641 2.638 233 HD22 LEU 41 1HD2 LEU 41 6.610 -6.982 1.505 234 HD23 LEU 41 2HD2 LEU 41 7.371 -5.478 0.942 235 H VAL 42 H VAL 42 9.379 -7.492 5.939 236 HA VAL 42 HA VAL 42 11.383 -5.525 5.317 237 HB VAL 42 HB VAL 42 9.419 -5.187 6.727 238 HG11 VAL 42 1HG1 VAL 42 9.318 -7.158 8.021 239 HG12 VAL 42 2HG1 VAL 42 10.884 -6.769 8.816 240 HG13 VAL 42 3HG1 VAL 42 9.471 -5.755 9.085 241 HG21 VAL 42 3HG2 VAL 42 12.011 -4.554 8.212 242 HG22 VAL 42 1HG2 VAL 42 11.445 -3.700 6.750 243 HG23 VAL 42 2HG2 VAL 42 10.479 -3.617 8.213 244 H GLU 43 H GLU 43 11.426 -8.690 6.854 245 HA GLU 43 HA GLU 43 14.026 -8.455 8.024 246 HB2 GLU 43 1HB GLU 43 12.653 -10.325 8.627 247 HB3 GLU 43 2HB GLU 43 12.600 -10.888 6.949 248 HG2 GLU 43 1HG GLU 43 15.325 -10.651 7.851 249 HG3 GLU 43 2HG GLU 43 14.336 -11.406 9.135 250 HE2 GLU 43 HE2 GLU 43 14.949 -13.291 5.708 251 H ALA 44 H ALA 44 12.956 -9.598 4.836 252 HA ALA 44 HA ALA 44 15.570 -10.169 3.873 253 HB1 ALA 44 3HB ALA 44 14.535 -10.022 1.599 254 HB2 ALA 44 1HB ALA 44 13.493 -10.924 2.715 255 HB3 ALA 44 2HB ALA 44 13.083 -9.240 2.301 256 H LEU 45 H LEU 45 13.658 -7.135 3.792 257 HA LEU 45 HA LEU 45 15.605 -5.661 2.336 258 HB2 LEU 45 1HB LEU 45 13.109 -5.163 2.777 259 HB3 LEU 45 2HB LEU 45 13.602 -4.552 4.341 260 HG LEU 45 HG LEU 45 15.058 -2.858 3.263 261 HD11 LEU 45 1HD1 LEU 45 15.549 -4.020 1.054 262 HD12 LEU 45 2HD1 LEU 45 14.948 -2.351 0.873 263 HD13 LEU 45 3HD1 LEU 45 13.860 -3.692 0.583 264 HD21 LEU 45 3HD2 LEU 45 13.236 -1.426 2.626 265 HD22 LEU 45 1HD2 LEU 45 12.532 -2.563 3.784 266 HD23 LEU 45 2HD2 LEU 45 12.254 -2.765 2.046 267 H TYR 46 H TYR 46 15.308 -6.347 5.857 268 HA TYR 46 HA TYR 46 17.356 -4.404 6.519 269 HB2 TYR 46 1HB TYR 46 15.870 -5.297 8.163 270 HB3 TYR 46 2HB TYR 46 16.412 -6.938 7.845 271 HD1 TYR 46 HD2 TYR 46 17.319 -3.751 9.498 272 HD2 TYR 46 HD1 TYR 46 18.543 -7.776 8.591 273 HE1 TYR 46 HE2 TYR 46 19.181 -3.526 11.086 274 HE2 TYR 46 HE1 TYR 46 20.322 -7.621 10.330 275 HH TYR 46 HH TYR 46 21.011 -4.598 12.084 276 H LEU 47 H LEU 47 17.408 -7.823 5.472 277 HA LEU 47 HA LEU 47 20.133 -8.379 6.168 278 HB2 LEU 47 1HB LEU 47 18.236 -9.648 4.122 279 HB3 LEU 47 2HB LEU 47 19.894 -10.207 4.396 280 HG LEU 47 HG LEU 47 17.704 -10.097 6.493 281 HD11 LEU 47 1HD1 LEU 47 18.704 -12.574 4.889 282 HD12 LEU 47 2HD1 LEU 47 17.198 -11.709 4.543 283 HD13 LEU 47 3HD1 LEU 47 17.386 -12.545 6.088 284 HD21 LEU 47 3HD2 LEU 47 19.143 -11.511 7.814 285 HD22 LEU 47 1HD2 LEU 47 20.031 -10.106 7.402 286 HD23 LEU 47 2HD2 LEU 47 20.308 -11.611 6.527 287 H VAL 48 H VAL 48 18.612 -6.973 3.292 288 HA VAL 48 HA VAL 48 21.227 -6.799 1.968 289 HB VAL 48 HB VAL 48 19.968 -5.816 0.056 290 HG11 VAL 48 1HG1 VAL 48 18.458 -7.798 -0.368 291 HG12 VAL 48 2HG1 VAL 48 20.124 -8.187 0.052 292 HG13 VAL 48 3HG1 VAL 48 18.810 -8.357 1.239 293 HG21 VAL 48 3HG2 VAL 48 18.290 -4.570 1.387 294 HG22 VAL 48 1HG2 VAL 48 17.665 -5.483 0.022 295 HG23 VAL 48 2HG2 VAL 48 17.451 -6.114 1.652 296 H CYS 49 H CYS 49 19.194 -4.647 3.818 297 HA CYS 49 HA CYS 49 21.021 -2.432 3.094 298 HB2 CYS 49 1HB CYS 49 18.696 -2.617 1.841 299 HB3 CYS 49 2HB CYS 49 18.088 -1.733 3.258 300 H GLY 50 H GLY 50 20.125 -4.106 5.723 301 HA2 GLY 50 1HA GLY 50 18.762 -2.324 7.375 302 HA3 GLY 50 2HA GLY 50 19.856 -3.578 7.930 303 H GLU 51 H GLU 51 22.380 -2.615 7.503 304 HA GLU 51 HA GLU 51 23.814 -1.463 8.902 305 HB2 GLU 51 1HB GLU 51 23.405 -0.121 6.725 306 HB3 GLU 51 2HB GLU 51 22.526 0.992 7.698 307 HG2 GLU 51 1HG GLU 51 24.647 1.143 9.162 308 HG3 GLU 51 2HG GLU 51 25.472 0.174 7.973 309 HE2 GLU 51 HE2 GLU 51 25.140 2.929 8.979 310 H GLN 52 H GLN 52 21.987 1.410 9.253 311 HA GLN 52 HA GLN 52 21.383 0.638 12.116 312 HB2 GLN 52 1HB GLN 52 22.152 2.758 12.832 313 HB3 GLN 52 2HB GLN 52 23.412 1.966 11.902 314 HG2 GLN 52 1HG GLN 52 23.147 3.505 10.082 315 HG3 GLN 52 2HG GLN 52 21.565 4.035 10.617 316 HE21 GLN 52 2HE2 GLN 52 21.609 6.061 11.250 317 HE22 GLN 52 1HE2 GLN 52 22.849 6.819 12.237 318 H GLY 53 H GLY 53 19.664 0.961 9.484 319 HA2 GLY 53 1HA GLY 53 18.058 3.299 10.238 320 HA3 GLY 53 2HA GLY 53 17.815 2.215 8.864 321 H PHE 54 H PHE 54 17.111 -0.092 9.471 322 HA PHE 54 HA PHE 54 14.613 0.187 10.802 323 HB2 PHE 54 1HB PHE 54 16.202 -2.330 10.251 324 HB3 PHE 54 2HB PHE 54 14.517 -2.282 10.815 325 HD1 PHE 54 HD2 PHE 54 12.731 -1.100 9.357 326 HD2 PHE 54 HD1 PHE 54 16.645 -2.119 7.887 327 HE1 PHE 54 HE2 PHE 54 11.975 -0.811 7.039 328 HE2 PHE 54 HE1 PHE 54 15.874 -1.829 5.589 329 HZ PHE 54 HZ PHE 54 13.557 -1.164 5.114 330 H PHE 55 H PHE 55 17.673 -0.872 12.026 331 HA PHE 55 HA PHE 55 16.816 -0.564 14.751 332 HB2 PHE 55 1HB PHE 55 15.906 -2.840 13.976 333 HB3 PHE 55 2HB PHE 55 17.546 -3.378 13.902 334 HD1 PHE 55 HD1 PHE 55 15.225 -1.616 16.181 335 HD2 PHE 55 HD2 PHE 55 18.401 -4.415 15.818 336 HE1 PHE 55 HE1 PHE 55 15.070 -2.033 18.667 337 HE2 PHE 55 HE2 PHE 55 18.287 -4.966 18.217 338 HZ PHE 55 HZ PHE 55 16.693 -3.694 19.688 339 H TYR 56 H TYR 56 18.657 -0.806 16.218 340 HA TYR 56 HA TYR 56 21.235 -1.378 15.004 341 HB2 TYR 56 1HB TYR 56 20.795 0.992 14.263 342 HB3 TYR 56 2HB TYR 56 20.671 1.492 15.934 343 HD1 TYR 56 HD1 TYR 56 23.097 -0.478 13.699 344 HD2 TYR 56 HD2 TYR 56 22.589 2.361 16.904 345 HE1 TYR 56 HE1 TYR 56 25.574 -0.141 13.861 346 HE2 TYR 56 HE2 TYR 56 25.030 2.778 16.956 347 HH TYR 56 HH TYR 56 27.272 1.038 14.896 348 H THR 57 H THR 57 22.223 -2.495 16.433 349 HA THR 57 HA THR 57 22.359 -1.559 19.238 350 HB THR 57 HB THR 57 21.787 -4.484 18.645 351 HG1 THR 57 HG1 THR 57 19.722 -3.876 19.589 352 HG21 THR 57 1HG2 THR 57 21.182 -4.464 21.072 353 HG22 THR 57 2HG2 THR 57 21.669 -2.738 21.132 354 HG23 THR 57 3HG2 THR 57 22.904 -4.023 20.778 355 HA PRO 58 HA PRO 58 26.433 -3.060 17.703 356 HB2 PRO 58 1HB PRO 58 28.037 -1.319 19.045 357 HB3 PRO 58 2HB PRO 58 27.175 -0.863 17.561 358 HG2 PRO 58 1HG PRO 58 26.483 -0.215 20.359 359 HG3 PRO 58 2HG PRO 58 26.514 0.850 18.929 360 HD2 PRO 58 1HD PRO 58 24.110 -0.249 19.681 361 HD3 PRO 58 2HD PRO 58 24.516 0.053 17.988 362 H LYS 59 H LYS 59 27.972 -4.386 18.926 363 HA LYS 59 HA LYS 59 27.039 -5.213 21.547 364 HB2 LYS 59 1HB LYS 59 29.507 -5.829 19.953 365 HB3 LYS 59 2HB LYS 59 29.183 -6.539 21.520 366 HG2 LYS 59 1HG LYS 59 26.978 -7.334 20.645 367 HG3 LYS 59 2HG LYS 59 27.482 -6.830 19.015 368 HD2 LYS 59 1HD LYS 59 29.619 -8.283 19.276 369 HD3 LYS 59 2HD LYS 59 28.867 -8.965 20.719 370 HE2 LYS 59 1HE LYS 59 26.909 -9.588 19.246 371 HE3 LYS 59 2HE LYS 59 27.982 -9.237 17.850 372 HZ1 LYS 59 3HZ LYS 59 29.569 -10.844 18.725 373 HZ2 LYS 59 1HZ LYS 59 28.102 -11.600 18.771 374 HZ3 LYS 59 2HZ LYS 59 28.726 -10.995 20.144 375 H THR 60 H THR 60 29.507 -3.030 20.363 376 HA THR 60 HA THR 60 30.806 -1.516 21.272 377 HB THR 60 HB THR 60 29.357 -1.857 23.915 378 HG1 THR 60 HG1 THR 60 27.901 -0.513 22.924 379 HG21 THR 60 1HG2 THR 60 30.060 0.633 24.132 380 HG22 THR 60 2HG2 THR 60 30.929 0.498 22.599 381 HG23 THR 60 3HG2 THR 60 31.534 -0.399 23.999 382 HXT THR 60 H02 THR 60 32.285 -3.931 23.959 Start of MODEL 28 1 H1 GLY 1 2H0 GLY 1 6.544 1.478 -3.339 2 H2 GLY 1 1H0 GLY 1 6.099 2.699 -2.282 3 HA2 GLY 1 1HA GLY 1 4.922 1.026 -0.902 4 HA3 GLY 1 2HA GLY 1 4.395 1.077 -2.599 5 H ILE 2 H ILE 2 7.430 -0.401 -1.473 6 HA ILE 2 HA ILE 2 7.027 -2.683 -3.017 7 HB ILE 2 HB ILE 2 9.247 -1.925 -2.285 8 HG12 ILE 2 1HG1 ILE 2 8.569 -4.766 -1.433 9 HG13 ILE 2 2HG1 ILE 2 8.942 -4.252 -3.086 10 HG21 ILE 2 1HG2 ILE 2 10.115 -2.177 -0.008 11 HG22 ILE 2 2HG2 ILE 2 8.505 -1.354 0.152 12 HG23 ILE 2 3HG2 ILE 2 8.642 -3.111 0.531 13 HD11 ILE 2 3HD1 ILE 2 10.838 -5.440 -2.106 14 HD12 ILE 2 1HD1 ILE 2 11.289 -3.702 -2.270 15 HD13 ILE 2 2HD1 ILE 2 10.830 -4.377 -0.685 16 H VAL 3 H VAL 3 5.880 -2.333 0.400 17 HA VAL 3 HA VAL 3 5.480 -5.145 0.731 18 HB VAL 3 HB VAL 3 3.969 -2.874 2.072 19 HG11 VAL 3 1HG1 VAL 3 3.710 -4.729 3.932 20 HG12 VAL 3 2HG1 VAL 3 2.701 -4.891 2.517 21 HG13 VAL 3 3HG1 VAL 3 4.137 -5.866 2.667 22 HG21 VAL 3 3HG2 VAL 3 5.569 -3.178 3.913 23 HG22 VAL 3 1HG2 VAL 3 6.369 -4.495 3.029 24 HG23 VAL 3 2HG2 VAL 3 6.459 -2.832 2.436 25 H GLU 4 H GLU 4 3.087 -2.650 -0.330 26 HA GLU 4 HA GLU 4 1.184 -4.701 -0.954 27 HB2 GLU 4 1HB GLU 4 -0.120 -2.949 -2.119 28 HB3 GLU 4 2HB GLU 4 0.372 -2.477 -0.491 29 HG2 GLU 4 1HG GLU 4 2.355 -1.186 -1.691 30 HG3 GLU 4 2HG GLU 4 1.479 -1.530 -3.170 31 HE2 GLU 4 HE2 GLU 4 1.358 -0.135 -0.079 32 H GLN 5 H GLN 5 3.868 -3.311 -2.848 33 HA GLN 5 HA GLN 5 2.917 -4.381 -5.338 34 HB2 GLN 5 1HB GLN 5 5.693 -3.765 -4.284 35 HB3 GLN 5 2HB GLN 5 5.429 -4.388 -5.866 36 HG2 GLN 5 1HG GLN 5 4.347 -1.704 -4.745 37 HG3 GLN 5 2HG GLN 5 5.729 -1.923 -5.847 38 HE21 GLN 5 2HE2 GLN 5 2.834 -0.690 -5.992 39 HE22 GLN 5 1HE2 GLN 5 2.248 -1.307 -7.509 40 H CYS 6 H CYS 6 5.075 -5.775 -2.733 41 HA CYS 6 HA CYS 6 5.467 -8.133 -4.328 42 HB2 CYS 6 1HB CYS 6 7.026 -7.017 -2.591 43 HB3 CYS 6 2HB CYS 6 6.130 -8.023 -1.441 44 H CYS 7 H CYS 7 3.184 -7.208 -1.883 45 HA CYS 7 HA CYS 7 2.362 -9.874 -1.120 46 HB2 CYS 7 1HB CYS 7 2.045 -7.590 0.014 47 HB3 CYS 7 2HB CYS 7 0.645 -7.362 -1.115 48 H THR 8 H THR 8 1.662 -7.722 -3.885 49 HA THR 8 HA THR 8 -0.622 -9.570 -4.656 50 HB THR 8 HB THR 8 -1.392 -7.655 -6.062 51 HG1 THR 8 HG1 THR 8 0.395 -5.858 -4.919 52 HG21 THR 8 1HG2 THR 8 -1.910 -6.025 -4.243 53 HG22 THR 8 2HG2 THR 8 -0.781 -6.852 -3.160 54 HG23 THR 8 3HG2 THR 8 -2.250 -7.705 -3.751 55 H SER 9 H SER 9 2.561 -8.568 -5.653 56 HA SER 9 HA SER 9 2.305 -10.277 -8.117 57 HB2 SER 9 1HB SER 9 2.041 -7.823 -8.738 58 HB3 SER 9 2HB SER 9 3.585 -7.521 -7.973 59 HG SER 9 HG SER 9 4.095 -7.890 -10.065 60 H ILE 10 H ILE 10 4.450 -10.973 -8.811 61 HA ILE 10 HA ILE 10 6.036 -11.751 -6.427 62 HB ILE 10 HB ILE 10 6.459 -12.148 -9.450 63 HG12 ILE 10 1HG1 ILE 10 4.553 -13.415 -8.414 64 HG13 ILE 10 2HG1 ILE 10 5.789 -14.390 -9.147 65 HG21 ILE 10 1HG2 ILE 10 8.188 -13.939 -8.645 66 HG22 ILE 10 2HG2 ILE 10 8.696 -12.230 -8.588 67 HG23 ILE 10 3HG2 ILE 10 8.191 -13.054 -7.088 68 HD11 ILE 10 3HD1 ILE 10 5.010 -15.399 -7.045 69 HD12 ILE 10 1HD1 ILE 10 6.722 -15.037 -6.966 70 HD13 ILE 10 2HD1 ILE 10 5.536 -13.997 -6.144 71 H CYS 11 H CYS 11 7.747 -10.669 -5.622 72 HA CYS 11 HA CYS 11 9.149 -8.814 -7.463 73 HB2 CYS 11 1HB CYS 11 9.694 -7.338 -5.640 74 HB3 CYS 11 2HB CYS 11 7.958 -7.568 -5.567 75 H SER 12 H SER 12 11.509 -8.588 -6.984 76 HA SER 12 HA SER 12 12.673 -10.837 -5.479 77 HB2 SER 12 1HB SER 12 12.304 -11.652 -7.813 78 HB3 SER 12 2HB SER 12 13.466 -10.444 -8.386 79 HG SER 12 HG SER 12 14.283 -12.595 -7.858 80 H LEU 13 H LEU 13 15.194 -10.580 -5.914 81 HA LEU 13 HA LEU 13 16.014 -8.310 -4.536 82 HB2 LEU 13 1HB LEU 13 17.166 -10.462 -4.631 83 HB3 LEU 13 2HB LEU 13 17.576 -10.234 -6.338 84 HG LEU 13 HG LEU 13 18.930 -8.208 -5.707 85 HD11 LEU 13 1HD1 LEU 13 19.653 -8.010 -3.314 86 HD12 LEU 13 2HD1 LEU 13 18.424 -9.232 -2.834 87 HD13 LEU 13 3HD1 LEU 13 17.911 -7.649 -3.512 88 HD21 LEU 13 3HD2 LEU 13 20.841 -9.453 -4.805 89 HD22 LEU 13 1HD2 LEU 13 20.035 -10.380 -6.054 90 HD23 LEU 13 2HD2 LEU 13 19.798 -10.815 -4.353 91 H TYR 14 H TYR 14 15.883 -8.753 -8.141 92 HA TYR 14 HA TYR 14 17.362 -6.478 -8.848 93 HB2 TYR 14 1HB TYR 14 16.642 -8.178 -10.430 94 HB3 TYR 14 2HB TYR 14 14.937 -7.735 -10.218 95 HD1 TYR 14 HD2 TYR 14 18.220 -6.479 -11.502 96 HD2 TYR 14 HD1 TYR 14 13.959 -5.903 -11.391 97 HE1 TYR 14 HE2 TYR 14 18.390 -4.888 -13.309 98 HE2 TYR 14 HE1 TYR 14 14.183 -4.192 -13.188 99 HH TYR 14 HH TYR 14 17.280 -3.335 -14.645 100 H GLN 15 H GLN 15 13.848 -6.786 -8.156 101 HA GLN 15 HA GLN 15 13.290 -3.925 -8.631 102 HB2 GLN 15 1HB GLN 15 11.653 -5.862 -8.797 103 HB3 GLN 15 2HB GLN 15 11.712 -5.978 -7.055 104 HG2 GLN 15 1HG GLN 15 9.755 -4.706 -7.732 105 HG3 GLN 15 2HG GLN 15 10.871 -3.638 -6.898 106 HE21 GLN 15 2HE2 GLN 15 11.246 -1.732 -7.900 107 HE22 GLN 15 1HE2 GLN 15 11.093 -1.448 -9.633 108 H LEU 16 H LEU 16 13.961 -6.007 -5.823 109 HA LEU 16 HA LEU 16 13.210 -4.182 -3.797 110 HB2 LEU 16 1HB LEU 16 13.503 -6.634 -3.715 111 HB3 LEU 16 2HB LEU 16 15.239 -6.412 -3.712 112 HG LEU 16 HG LEU 16 13.493 -5.343 -1.450 113 HD11 LEU 16 1HD1 LEU 16 14.655 -8.122 -1.948 114 HD12 LEU 16 2HD1 LEU 16 12.944 -7.669 -1.732 115 HD13 LEU 16 3HD1 LEU 16 14.045 -7.552 -0.368 116 HD21 LEU 16 3HD2 LEU 16 15.594 -5.570 -0.181 117 HD22 LEU 16 1HD2 LEU 16 15.913 -4.595 -1.596 118 HD23 LEU 16 2HD2 LEU 16 16.421 -6.296 -1.529 119 H GLU 17 H GLU 17 16.433 -4.668 -5.374 120 HA GLU 17 HA GLU 17 17.754 -2.952 -3.505 121 HB2 GLU 17 1HB GLU 17 18.461 -3.868 -6.288 122 HB3 GLU 17 2HB GLU 17 19.471 -2.767 -5.379 123 HG2 GLU 17 1HG GLU 17 19.691 -4.421 -3.571 124 HG3 GLU 17 2HG GLU 17 18.713 -5.527 -4.507 125 HE2 GLU 17 HE2 GLU 17 21.162 -3.353 -5.251 126 H ASN 18 H ASN 18 15.408 -2.126 -5.852 127 HA ASN 18 HA ASN 18 16.631 0.433 -6.672 128 HB2 ASN 18 1HB ASN 18 14.682 -0.667 -7.876 129 HB3 ASN 18 2HB ASN 18 13.675 -0.330 -6.446 130 HD21 ASN 18 2HD2 ASN 18 12.251 1.098 -7.068 131 HD22 ASN 18 1HD2 ASN 18 12.635 2.631 -7.810 132 H TYR 19 H TYR 19 15.169 -0.912 -3.811 133 HA TYR 19 HA TYR 19 14.576 1.769 -2.682 134 HB2 TYR 19 1HB TYR 19 13.952 -1.000 -1.595 135 HB3 TYR 19 2HB TYR 19 13.313 0.567 -1.047 136 HD1 TYR 19 HD1 TYR 19 12.130 1.911 -3.241 137 HD2 TYR 19 HD2 TYR 19 12.717 -2.372 -2.989 138 HE1 TYR 19 HE1 TYR 19 10.315 1.564 -4.954 139 HE2 TYR 19 HE2 TYR 19 10.983 -2.678 -4.781 140 HH TYR 19 HH TYR 19 9.106 -0.004 -6.144 141 H CYS 20 H CYS 20 17.284 -0.008 -3.054 142 HA CYS 20 HA CYS 20 18.161 -0.041 -0.250 143 HB2 CYS 20 1HB CYS 20 18.977 -1.275 -2.682 144 HB3 CYS 20 2HB CYS 20 20.324 -0.200 -2.318 145 H ASN 21 H ASN 21 17.632 2.180 -2.617 146 HA ASN 21 HA ASN 21 17.944 4.407 -2.830 147 HB2 ASN 21 1HB ASN 21 17.386 4.498 -0.403 148 HB3 ASN 21 2HB ASN 21 19.123 4.403 -0.003 149 HD21 ASN 21 2HD2 ASN 21 16.511 6.450 -0.922 150 HD22 ASN 21 1HD2 ASN 21 17.443 7.908 -1.062 151 HXT ASN 21 H02 ASN 21 20.815 4.686 -4.290 152 H1 PHE 31 2H0 PHE 31 19.604 -16.732 -2.843 153 H2 PHE 31 1H0 PHE 31 19.567 -16.287 -4.381 154 HA PHE 31 HA PHE 31 17.883 -15.226 -2.206 155 HB2 PHE 31 1HB PHE 31 19.107 -13.376 -3.612 156 HB3 PHE 31 2HB PHE 31 18.210 -13.959 -4.974 157 HD1 PHE 31 HD2 PHE 31 15.692 -13.557 -5.001 158 HD2 PHE 31 HD1 PHE 31 18.032 -12.017 -1.766 159 HE1 PHE 31 HE2 PHE 31 13.913 -12.067 -4.498 160 HE2 PHE 31 HE1 PHE 31 16.271 -10.588 -1.157 161 HZ PHE 31 HZ PHE 31 14.201 -10.518 -2.529 162 H VAL 32 H VAL 32 15.622 -15.482 -2.619 163 HA VAL 32 HA VAL 32 14.857 -16.970 -5.143 164 HB VAL 32 HB VAL 32 14.928 -18.637 -3.263 165 HG11 VAL 32 1HG1 VAL 32 12.977 -16.810 -1.844 166 HG12 VAL 32 2HG1 VAL 32 13.198 -18.465 -1.405 167 HG13 VAL 32 3HG1 VAL 32 14.524 -17.388 -1.228 168 HG21 VAL 32 3HG2 VAL 32 12.129 -17.882 -4.361 169 HG22 VAL 32 1HG2 VAL 32 13.232 -19.119 -5.003 170 HG23 VAL 32 2HG2 VAL 32 12.391 -19.355 -3.473 171 H ASN 33 H ASN 33 13.120 -16.232 -6.210 172 HA ASN 33 HA ASN 33 11.916 -13.763 -5.276 173 HB2 ASN 33 1HB ASN 33 10.762 -13.722 -7.475 174 HB3 ASN 33 2HB ASN 33 12.521 -14.025 -7.607 175 HD21 ASN 33 2HD2 ASN 33 9.800 -14.740 -9.023 176 HD22 ASN 33 1HD2 ASN 33 10.053 -16.430 -9.484 177 H GLN 34 H GLN 34 10.008 -13.565 -4.189 178 HA GLN 34 HA GLN 34 8.038 -15.788 -4.259 179 HB2 GLN 34 1HB GLN 34 9.118 -14.631 -1.645 180 HB3 GLN 34 2HB GLN 34 7.857 -15.854 -1.849 181 HG2 GLN 34 1HG GLN 34 9.658 -17.303 -2.918 182 HG3 GLN 34 2HG GLN 34 10.849 -16.159 -2.307 183 HE21 GLN 34 2HE2 GLN 34 9.810 -19.019 -1.717 184 HE22 GLN 34 1HE2 GLN 34 9.695 -19.041 0.018 185 H HIS 35 H HIS 35 6.031 -15.053 -2.938 186 HA HIS 35 HA HIS 35 5.610 -12.102 -3.177 187 HB2 HIS 35 1HB HIS 35 3.851 -14.416 -2.177 188 HB3 HIS 35 2HB HIS 35 3.406 -12.701 -2.059 189 HD1 HIS 35 HD1 HIS 35 3.268 -11.360 -4.534 190 HD2 HIS 35 HD2 HIS 35 3.106 -15.568 -4.511 191 HE1 HIS 35 HE1 HIS 35 2.223 -12.123 -6.711 192 HE2 HIS 35 HE2 HIS 35 2.223 -14.626 -6.786 193 H LEU 36 H LEU 36 5.995 -10.851 -1.418 194 HA LEU 36 HA LEU 36 6.375 -12.212 1.243 195 HB2 LEU 36 1HB LEU 36 7.935 -9.886 0.065 196 HB3 LEU 36 2HB LEU 36 8.072 -10.554 1.707 197 HG LEU 36 HG LEU 36 8.786 -12.067 -0.824 198 HD11 LEU 36 1HD1 LEU 36 11.037 -11.675 -0.477 199 HD12 LEU 36 2HD1 LEU 36 10.815 -11.036 1.161 200 HD13 LEU 36 3HD1 LEU 36 10.242 -10.075 -0.267 201 HD21 LEU 36 3HD2 LEU 36 8.107 -13.567 0.887 202 HD22 LEU 36 1HD2 LEU 36 9.235 -12.804 2.043 203 HD23 LEU 36 2HD2 LEU 36 9.870 -13.663 0.629 204 H CYS 37 H CYS 37 5.353 -11.048 2.920 205 HA CYS 37 HA CYS 37 3.992 -8.531 2.481 206 HB2 CYS 37 1HB CYS 37 2.598 -10.340 1.241 207 HB3 CYS 37 2HB CYS 37 2.174 -10.943 2.839 208 H GLY 38 H GLY 38 5.460 -8.477 4.531 209 HA2 GLY 38 1HA GLY 38 4.276 -8.102 6.911 210 HA3 GLY 38 2HA GLY 38 4.338 -9.889 6.852 211 H SER 39 H SER 39 5.812 -9.873 8.698 212 HA SER 39 HA SER 39 8.150 -8.448 8.670 213 HB2 SER 39 1HB SER 39 7.783 -11.132 10.005 214 HB3 SER 39 2HB SER 39 8.864 -9.795 10.500 215 HG SER 39 HG SER 39 7.139 -9.395 11.669 216 H HIS 40 H HIS 40 7.691 -11.498 6.968 217 HA HIS 40 HA HIS 40 10.457 -12.123 6.744 218 HB2 HIS 40 1HB HIS 40 7.977 -12.795 5.349 219 HB3 HIS 40 2HB HIS 40 9.386 -12.768 4.253 220 HD1 HIS 40 HD1 HIS 40 10.455 -14.957 3.948 221 HD2 HIS 40 HD2 HIS 40 8.949 -14.480 7.803 222 HE1 HIS 40 HE1 HIS 40 10.830 -17.168 5.130 223 HE2 HIS 40 HE2 HIS 40 10.028 -16.903 7.546 224 H LEU 41 H LEU 41 8.467 -9.788 4.996 225 HA LEU 41 HA LEU 41 10.464 -9.164 2.987 226 HB2 LEU 41 1HB LEU 41 7.925 -8.733 2.960 227 HB3 LEU 41 2HB LEU 41 8.205 -7.325 3.960 228 HG LEU 41 HG LEU 41 9.509 -7.691 1.205 229 HD11 LEU 41 1HD1 LEU 41 7.711 -6.115 0.460 230 HD12 LEU 41 2HD1 LEU 41 6.822 -6.564 1.944 231 HD13 LEU 41 3HD1 LEU 41 7.237 -7.832 0.752 232 HD21 LEU 41 3HD2 LEU 41 9.648 -5.220 1.289 233 HD22 LEU 41 1HD2 LEU 41 10.560 -5.967 2.594 234 HD23 LEU 41 2HD2 LEU 41 9.012 -5.223 2.919 235 H VAL 42 H VAL 42 9.361 -7.491 6.010 236 HA VAL 42 HA VAL 42 11.189 -5.356 5.871 237 HB VAL 42 HB VAL 42 10.080 -6.837 8.281 238 HG11 VAL 42 1HG1 VAL 42 11.241 -4.000 8.071 239 HG12 VAL 42 2HG1 VAL 42 10.506 -4.746 9.512 240 HG13 VAL 42 3HG1 VAL 42 12.012 -5.376 8.875 241 HG21 VAL 42 3HG2 VAL 42 8.386 -5.109 8.279 242 HG22 VAL 42 1HG2 VAL 42 9.110 -4.357 6.814 243 HG23 VAL 42 2HG2 VAL 42 8.339 -5.975 6.764 244 H GLU 43 H GLU 43 11.556 -8.675 7.148 245 HA GLU 43 HA GLU 43 14.152 -8.274 8.329 246 HB2 GLU 43 1HB GLU 43 12.559 -10.063 8.937 247 HB3 GLU 43 2HB GLU 43 12.889 -10.888 7.416 248 HG2 GLU 43 1HG GLU 43 15.146 -11.393 8.004 249 HG3 GLU 43 2HG GLU 43 15.112 -10.271 9.411 250 HE2 GLU 43 HE2 GLU 43 13.955 -13.181 8.189 251 H ALA 44 H ALA 44 13.193 -9.829 5.204 252 HA ALA 44 HA ALA 44 15.803 -10.446 4.280 253 HB1 ALA 44 3HB ALA 44 14.798 -10.570 2.061 254 HB2 ALA 44 1HB ALA 44 13.601 -11.186 3.245 255 HB3 ALA 44 2HB ALA 44 13.432 -9.524 2.568 256 H LEU 45 H LEU 45 13.821 -7.531 3.889 257 HA LEU 45 HA LEU 45 15.632 -6.143 2.150 258 HB2 LEU 45 1HB LEU 45 13.138 -5.818 2.598 259 HB3 LEU 45 2HB LEU 45 13.619 -4.868 3.995 260 HG LEU 45 HG LEU 45 14.743 -4.214 1.262 261 HD11 LEU 45 1HD1 LEU 45 12.030 -3.194 2.251 262 HD12 LEU 45 2HD1 LEU 45 12.250 -4.470 1.015 263 HD13 LEU 45 3HD1 LEU 45 12.815 -2.799 0.715 264 HD21 LEU 45 3HD2 LEU 45 15.505 -2.887 3.305 265 HD22 LEU 45 1HD2 LEU 45 13.846 -2.271 3.457 266 HD23 LEU 45 2HD2 LEU 45 14.796 -1.899 2.007 267 H TYR 46 H TYR 46 15.276 -6.290 5.689 268 HA TYR 46 HA TYR 46 17.214 -4.209 6.152 269 HB2 TYR 46 1HB TYR 46 15.584 -5.008 7.883 270 HB3 TYR 46 2HB TYR 46 16.439 -6.572 7.955 271 HD1 TYR 46 HD1 TYR 46 16.641 -2.967 8.730 272 HD2 TYR 46 HD2 TYR 46 18.589 -6.755 9.028 273 HE1 TYR 46 HE1 TYR 46 18.221 -2.020 10.377 274 HE2 TYR 46 HE2 TYR 46 20.153 -5.809 10.678 275 HH TYR 46 HH TYR 46 20.897 -3.924 11.770 276 H LEU 47 H LEU 47 17.377 -7.775 5.888 277 HA LEU 47 HA LEU 47 20.120 -7.973 6.598 278 HB2 LEU 47 1HB LEU 47 18.447 -9.688 4.722 279 HB3 LEU 47 2HB LEU 47 20.087 -10.049 5.147 280 HG LEU 47 HG LEU 47 17.904 -9.878 7.173 281 HD11 LEU 47 1HD1 LEU 47 18.044 -12.395 7.070 282 HD12 LEU 47 2HD1 LEU 47 19.080 -12.187 5.653 283 HD13 LEU 47 3HD1 LEU 47 17.400 -11.643 5.595 284 HD21 LEU 47 3HD2 LEU 47 19.455 -11.206 8.577 285 HD22 LEU 47 1HD2 LEU 47 20.064 -9.568 8.203 286 HD23 LEU 47 2HD2 LEU 47 20.692 -10.959 7.347 287 H VAL 48 H VAL 48 18.644 -7.096 3.454 288 HA VAL 48 HA VAL 48 21.372 -6.981 2.405 289 HB VAL 48 HB VAL 48 19.827 -8.106 1.009 290 HG11 VAL 48 1HG1 VAL 48 17.950 -7.107 -0.053 291 HG12 VAL 48 2HG1 VAL 48 17.745 -6.883 1.663 292 HG13 VAL 48 3HG1 VAL 48 18.266 -5.531 0.667 293 HG21 VAL 48 3HG2 VAL 48 20.569 -5.442 -0.286 294 HG22 VAL 48 1HG2 VAL 48 21.714 -6.782 0.003 295 HG23 VAL 48 2HG2 VAL 48 20.334 -7.002 -1.105 296 H CYS 49 H CYS 49 18.678 -4.719 3.053 297 HA CYS 49 HA CYS 49 20.468 -2.507 2.114 298 HB2 CYS 49 1HB CYS 49 17.475 -2.708 2.037 299 HB3 CYS 49 2HB CYS 49 18.407 -1.287 1.547 300 H GLY 50 H GLY 50 19.803 -3.764 4.913 301 HA2 GLY 50 1HA GLY 50 18.345 -1.926 6.460 302 HA3 GLY 50 2HA GLY 50 19.504 -3.113 7.049 303 H GLU 51 H GLU 51 21.156 -0.971 4.939 304 HA GLU 51 HA GLU 51 22.574 0.161 7.181 305 HB2 GLU 51 1HB GLU 51 22.578 1.219 4.282 306 HB3 GLU 51 2HB GLU 51 23.755 1.498 5.596 307 HG2 GLU 51 1HG GLU 51 24.787 -0.012 4.176 308 HG3 GLU 51 2HG GLU 51 24.191 -1.071 5.477 309 HE2 GLU 51 HE2 GLU 51 23.030 -3.002 2.891 310 H GLN 52 H GLN 52 19.767 1.161 5.195 311 HA GLN 52 HA GLN 52 19.240 3.265 7.173 312 HB2 GLN 52 1HB GLN 52 18.768 4.938 5.473 313 HB3 GLN 52 2HB GLN 52 20.500 4.462 5.514 314 HG2 GLN 52 1HG GLN 52 20.180 3.095 3.483 315 HG3 GLN 52 2HG GLN 52 18.453 3.478 3.480 316 HE21 GLN 52 2HE2 GLN 52 21.330 4.151 2.011 317 HE22 GLN 52 1HE2 GLN 52 20.974 5.780 1.443 318 H GLY 53 H GLY 53 18.068 0.580 5.570 319 HA2 GLY 53 1HA GLY 53 15.556 1.601 4.716 320 HA3 GLY 53 2HA GLY 53 16.006 -0.080 4.913 321 H PHE 54 H PHE 54 16.545 0.150 7.865 322 HA PHE 54 HA PHE 54 14.031 1.155 8.966 323 HB2 PHE 54 1HB PHE 54 14.888 -1.642 9.551 324 HB3 PHE 54 2HB PHE 54 13.418 -0.880 10.112 325 HD1 PHE 54 HD2 PHE 54 11.555 -0.533 8.578 326 HD2 PHE 54 HD1 PHE 54 15.057 -2.681 7.324 327 HE1 PHE 54 HE2 PHE 54 10.284 -1.393 6.583 328 HE2 PHE 54 HE1 PHE 54 13.819 -3.609 5.452 329 HZ PHE 54 HZ PHE 54 11.400 -2.965 5.049 330 H PHE 55 H PHE 55 14.196 0.956 11.410 331 HA PHE 55 HA PHE 55 16.928 0.449 12.477 332 HB2 PHE 55 1HB PHE 55 16.831 2.915 12.114 333 HB3 PHE 55 2HB PHE 55 15.304 2.945 12.987 334 HD1 PHE 55 HD2 PHE 55 18.868 2.071 13.469 335 HD2 PHE 55 HD1 PHE 55 15.187 3.201 15.334 336 HE1 PHE 55 HE2 PHE 55 20.096 2.218 15.584 337 HE2 PHE 55 HE1 PHE 55 16.375 3.365 17.539 338 HZ PHE 55 HZ PHE 55 18.825 2.872 17.671 339 H TYR 56 H TYR 56 16.863 -0.488 14.422 340 HA TYR 56 HA TYR 56 14.486 -0.276 16.155 341 HB2 TYR 56 1HB TYR 56 13.808 -2.224 14.702 342 HB3 TYR 56 2HB TYR 56 15.374 -2.969 14.929 343 HD1 TYR 56 HD2 TYR 56 12.468 -1.699 16.943 344 HD2 TYR 56 HD1 TYR 56 15.522 -4.703 16.562 345 HE1 TYR 56 HE2 TYR 56 11.510 -2.886 18.892 346 HE2 TYR 56 HE1 TYR 56 14.586 -5.866 18.577 347 HH TYR 56 HH TYR 56 12.813 -5.826 20.316 348 H THR 57 H THR 57 15.158 -1.109 18.392 349 HA THR 57 HA THR 57 18.158 -1.391 18.541 350 HB THR 57 HB THR 57 16.293 -0.281 20.712 351 HG1 THR 57 HG1 THR 57 16.480 0.972 18.598 352 HG21 THR 57 1HG2 THR 57 18.371 0.651 21.620 353 HG22 THR 57 2HG2 THR 57 19.295 -0.009 20.295 354 HG23 THR 57 3HG2 THR 57 18.539 -1.091 21.486 355 HA PRO 58 HA PRO 58 16.253 -5.200 20.189 356 HB2 PRO 58 1HB PRO 58 17.982 -6.989 19.187 357 HB3 PRO 58 2HB PRO 58 16.811 -6.132 18.078 358 HG2 PRO 58 1HG PRO 58 19.694 -5.485 18.568 359 HG3 PRO 58 2HG PRO 58 18.849 -5.743 17.015 360 HD2 PRO 58 1HD PRO 58 19.219 -3.256 18.066 361 HD3 PRO 58 2HD PRO 58 17.790 -3.688 17.139 362 H LYS 59 H LYS 59 17.365 -7.057 21.599 363 HA LYS 59 HA LYS 59 19.349 -5.766 23.390 364 HB2 LYS 59 1HB LYS 59 17.536 -7.124 24.269 365 HB3 LYS 59 2HB LYS 59 18.031 -8.505 23.295 366 HG2 LYS 59 1HG LYS 59 20.122 -8.668 24.511 367 HG3 LYS 59 2HG LYS 59 19.651 -7.337 25.552 368 HD2 LYS 59 1HD LYS 59 17.666 -8.638 26.262 369 HD3 LYS 59 2HD LYS 59 18.173 -9.953 25.193 370 HE2 LYS 59 1HE LYS 59 19.846 -8.896 27.519 371 HE3 LYS 59 2HE LYS 59 18.775 -10.292 27.653 372 HZ1 LYS 59 3HZ LYS 59 20.201 -11.420 25.967 373 HZ2 LYS 59 1HZ LYS 59 21.135 -10.899 27.254 374 HZ3 LYS 59 2HZ LYS 59 21.144 -10.043 25.841 375 H THR 60 H THR 60 21.386 -5.664 22.676 376 HA THR 60 HA THR 60 22.760 -8.053 21.572 377 HB THR 60 HB THR 60 21.517 -7.007 19.603 378 HG1 THR 60 HG1 THR 60 23.684 -6.761 18.346 379 HG21 THR 60 1HG2 THR 60 23.527 -4.657 19.905 380 HG22 THR 60 2HG2 THR 60 21.775 -4.539 20.149 381 HG23 THR 60 3HG2 THR 60 22.405 -4.898 18.542 382 HXT THR 60 H02 THR 60 25.022 -7.470 21.095 Start of MODEL 29 1 H1 GLY 1 2H0 GLY 1 2.864 1.862 1.591 2 H2 GLY 1 1H0 GLY 1 1.377 1.928 0.943 3 HA2 GLY 1 1HA GLY 1 2.088 1.797 -1.229 4 HA3 GLY 1 2HA GLY 1 3.471 2.659 -0.459 5 H ILE 2 H ILE 2 5.180 1.178 0.418 6 HA ILE 2 HA ILE 2 6.227 -0.432 -1.686 7 HB ILE 2 HB ILE 2 7.882 0.438 -0.207 8 HG12 ILE 2 1HG1 ILE 2 7.537 -2.446 0.764 9 HG13 ILE 2 2HG1 ILE 2 8.290 -1.970 -0.736 10 HG21 ILE 2 1HG2 ILE 2 6.346 1.043 1.670 11 HG22 ILE 2 2HG2 ILE 2 6.414 -0.640 2.227 12 HG23 ILE 2 3HG2 ILE 2 7.861 0.391 2.217 13 HD11 ILE 2 3HD1 ILE 2 9.940 -0.546 0.724 14 HD12 ILE 2 1HD1 ILE 2 9.396 -1.554 2.052 15 HD13 ILE 2 2HD1 ILE 2 10.180 -2.290 0.621 16 H VAL 3 H VAL 3 4.471 -1.184 1.297 17 HA VAL 3 HA VAL 3 4.776 -4.014 1.096 18 HB VAL 3 HB VAL 3 2.412 -2.507 2.166 19 HG11 VAL 3 1HG1 VAL 3 3.324 -5.365 2.600 20 HG12 VAL 3 2HG1 VAL 3 2.155 -4.532 3.640 21 HG13 VAL 3 3HG1 VAL 3 1.798 -4.804 1.938 22 HG21 VAL 3 3HG2 VAL 3 5.073 -3.312 3.429 23 HG22 VAL 3 1HG2 VAL 3 4.378 -1.693 3.277 24 HG23 VAL 3 2HG2 VAL 3 3.653 -2.849 4.387 25 H GLU 4 H GLU 4 2.090 -1.961 -0.259 26 HA GLU 4 HA GLU 4 0.887 -4.335 -1.409 27 HB2 GLU 4 1HB GLU 4 -0.834 -2.818 -2.228 28 HB3 GLU 4 2HB GLU 4 -0.443 -2.435 -0.558 29 HG2 GLU 4 1HG GLU 4 0.902 -0.549 -1.278 30 HG3 GLU 4 2HG GLU 4 0.621 -0.957 -3.001 31 HE2 GLU 4 HE2 GLU 4 -1.107 -0.368 -3.839 32 H GLN 5 H GLN 5 3.351 -2.152 -2.413 33 HA GLN 5 HA GLN 5 2.952 -2.707 -5.281 34 HB2 GLN 5 1HB GLN 5 3.862 -0.632 -4.419 35 HB3 GLN 5 2HB GLN 5 5.326 -1.503 -3.847 36 HG2 GLN 5 1HG GLN 5 4.724 -2.056 -6.590 37 HG3 GLN 5 2HG GLN 5 4.992 -0.346 -6.300 38 HE21 GLN 5 2HE2 GLN 5 7.036 0.116 -6.835 39 HE22 GLN 5 1HE2 GLN 5 8.427 -0.847 -6.429 40 H CYS 6 H CYS 6 5.061 -3.836 -2.651 41 HA CYS 6 HA CYS 6 6.454 -5.664 -4.515 42 HB2 CYS 6 1HB CYS 6 7.303 -4.370 -2.464 43 HB3 CYS 6 2HB CYS 6 6.570 -5.661 -1.479 44 H CYS 7 H CYS 7 4.385 -6.138 -1.580 45 HA CYS 7 HA CYS 7 4.287 -9.018 -2.160 46 HB2 CYS 7 1HB CYS 7 4.489 -8.217 0.165 47 HB3 CYS 7 2HB CYS 7 2.980 -7.297 -0.010 48 H THR 8 H THR 8 3.325 -8.535 -4.315 49 HA THR 8 HA THR 8 0.524 -9.196 -4.106 50 HB THR 8 HB THR 8 0.339 -6.753 -4.199 51 HG1 THR 8 HG1 THR 8 -1.308 -7.288 -5.437 52 HG21 THR 8 1HG2 THR 8 2.618 -6.455 -5.358 53 HG22 THR 8 2HG2 THR 8 1.284 -5.423 -5.924 54 HG23 THR 8 3HG2 THR 8 1.747 -6.812 -6.892 55 H SER 9 H SER 9 3.488 -8.837 -6.010 56 HA SER 9 HA SER 9 2.525 -10.945 -7.855 57 HB2 SER 9 1HB SER 9 2.209 -8.580 -8.774 58 HB3 SER 9 2HB SER 9 3.966 -8.497 -8.860 59 HG SER 9 HG SER 9 3.503 -9.336 -10.731 60 H ILE 10 H ILE 10 4.346 -11.111 -5.743 61 HA ILE 10 HA ILE 10 6.310 -12.118 -5.136 62 HB ILE 10 HB ILE 10 6.898 -12.556 -8.057 63 HG12 ILE 10 1HG1 ILE 10 5.941 -14.487 -5.934 64 HG13 ILE 10 2HG1 ILE 10 4.853 -13.662 -7.075 65 HG21 ILE 10 1HG2 ILE 10 8.304 -13.607 -5.606 66 HG22 ILE 10 2HG2 ILE 10 8.550 -14.186 -7.281 67 HG23 ILE 10 3HG2 ILE 10 8.962 -12.515 -6.843 68 HD11 ILE 10 3HD1 ILE 10 6.265 -14.754 -8.949 69 HD12 ILE 10 1HD1 ILE 10 7.022 -15.733 -7.651 70 HD13 ILE 10 2HD1 ILE 10 5.250 -15.864 -7.964 71 H CYS 11 H CYS 11 7.539 -10.845 -4.084 72 HA CYS 11 HA CYS 11 8.811 -8.546 -5.114 73 HB2 CYS 11 1HB CYS 11 9.392 -10.286 -2.729 74 HB3 CYS 11 2HB CYS 11 10.245 -8.782 -3.061 75 H SER 12 H SER 12 10.655 -8.369 -6.297 76 HA SER 12 HA SER 12 12.260 -10.848 -6.647 77 HB2 SER 12 1HB SER 12 11.552 -8.723 -8.661 78 HB3 SER 12 2HB SER 12 12.514 -10.202 -8.968 79 HG SER 12 HG SER 12 9.847 -10.193 -8.001 80 H LEU 13 H LEU 13 14.447 -10.589 -6.759 81 HA LEU 13 HA LEU 13 15.461 -8.592 -5.080 82 HB2 LEU 13 1HB LEU 13 16.473 -10.834 -5.726 83 HB3 LEU 13 2HB LEU 13 17.079 -10.069 -7.206 84 HG LEU 13 HG LEU 13 18.158 -8.348 -5.602 85 HD11 LEU 13 1HD1 LEU 13 17.040 -8.762 -3.556 86 HD12 LEU 13 2HD1 LEU 13 18.707 -9.321 -3.315 87 HD13 LEU 13 3HD1 LEU 13 17.437 -10.526 -3.587 88 HD21 LEU 13 3HD2 LEU 13 19.211 -11.205 -5.493 89 HD22 LEU 13 1HD2 LEU 13 20.145 -9.727 -5.257 90 HD23 LEU 13 2HD2 LEU 13 19.422 -10.048 -6.818 91 H TYR 14 H TYR 14 15.167 -8.637 -8.623 92 HA TYR 14 HA TYR 14 16.813 -6.504 -9.362 93 HB2 TYR 14 1HB TYR 14 15.433 -7.983 -10.893 94 HB3 TYR 14 2HB TYR 14 14.016 -7.105 -10.368 95 HD1 TYR 14 HD2 TYR 14 13.601 -4.844 -11.220 96 HD2 TYR 14 HD1 TYR 14 17.137 -6.892 -12.433 97 HE1 TYR 14 HE2 TYR 14 13.935 -3.196 -13.085 98 HE2 TYR 14 HE1 TYR 14 17.470 -5.271 -14.317 99 HH TYR 14 HH TYR 14 16.642 -3.186 -15.218 100 H GLN 15 H GLN 15 13.460 -6.232 -8.134 101 HA GLN 15 HA GLN 15 13.724 -3.302 -8.201 102 HB2 GLN 15 1HB GLN 15 11.649 -5.132 -8.657 103 HB3 GLN 15 2HB GLN 15 11.276 -4.489 -7.041 104 HG2 GLN 15 1HG GLN 15 10.255 -3.049 -8.635 105 HG3 GLN 15 2HG GLN 15 11.662 -2.148 -8.063 106 HE21 GLN 15 2HE2 GLN 15 10.208 -3.832 -10.776 107 HE22 GLN 15 1HE2 GLN 15 11.337 -3.294 -12.009 108 H LEU 16 H LEU 16 13.615 -6.024 -5.838 109 HA LEU 16 HA LEU 16 13.097 -4.494 -3.439 110 HB2 LEU 16 1HB LEU 16 13.112 -6.924 -3.836 111 HB3 LEU 16 2HB LEU 16 14.848 -6.901 -3.899 112 HG LEU 16 HG LEU 16 13.934 -5.698 -1.436 113 HD11 LEU 16 1HD1 LEU 16 12.950 -8.521 -2.040 114 HD12 LEU 16 2HD1 LEU 16 11.934 -7.074 -1.860 115 HD13 LEU 16 3HD1 LEU 16 12.821 -7.623 -0.469 116 HD21 LEU 16 3HD2 LEU 16 15.374 -8.360 -1.861 117 HD22 LEU 16 1HD2 LEU 16 15.343 -7.369 -0.378 118 HD23 LEU 16 2HD2 LEU 16 16.185 -6.738 -1.827 119 H GLU 17 H GLU 17 16.154 -5.124 -5.198 120 HA GLU 17 HA GLU 17 17.786 -3.909 -3.161 121 HB2 GLU 17 1HB GLU 17 18.240 -4.375 -6.078 122 HB3 GLU 17 2HB GLU 17 19.504 -3.743 -5.021 123 HG2 GLU 17 1HG GLU 17 18.200 -6.119 -3.993 124 HG3 GLU 17 2HG GLU 17 19.002 -6.370 -5.576 125 HE2 GLU 17 HE2 GLU 17 21.282 -5.175 -2.521 126 H ASN 18 H ASN 18 15.662 -2.562 -5.650 127 HA ASN 18 HA ASN 18 17.141 -0.152 -5.911 128 HB2 ASN 18 1HB ASN 18 15.267 -1.051 -7.412 129 HB3 ASN 18 2HB ASN 18 14.145 -0.461 -6.216 130 HD21 ASN 18 2HD2 ASN 18 16.276 0.191 -8.786 131 HD22 ASN 18 1HD2 ASN 18 15.941 1.886 -8.889 132 H TYR 19 H TYR 19 15.128 -1.471 -3.399 133 HA TYR 19 HA TYR 19 14.405 1.122 -2.264 134 HB2 TYR 19 1HB TYR 19 14.274 -1.675 -1.148 135 HB3 TYR 19 2HB TYR 19 13.801 -0.236 -0.280 136 HD1 TYR 19 HD1 TYR 19 11.832 1.082 -0.957 137 HD2 TYR 19 HD2 TYR 19 12.948 -2.523 -3.037 138 HE1 TYR 19 HE1 TYR 19 9.539 0.927 -1.907 139 HE2 TYR 19 HE2 TYR 19 10.693 -2.634 -3.981 140 HH TYR 19 HH TYR 19 8.555 -1.749 -4.121 141 H CYS 20 H CYS 20 17.394 -0.397 -2.589 142 HA CYS 20 HA CYS 20 18.348 0.074 0.130 143 HB2 CYS 20 1HB CYS 20 19.248 -1.607 -1.575 144 HB3 CYS 20 2HB CYS 20 20.060 -0.235 -2.356 145 H ASN 21 H ASN 21 19.142 1.947 0.969 146 HA ASN 21 HA ASN 21 20.481 3.901 -0.697 147 HB2 ASN 21 1HB ASN 21 18.139 4.686 -0.985 148 HB3 ASN 21 2HB ASN 21 17.973 4.769 0.785 149 HD21 ASN 21 2HD2 ASN 21 17.941 6.977 1.165 150 HD22 ASN 21 1HD2 ASN 21 19.214 8.044 0.629 151 HXT ASN 21 H02 ASN 21 20.711 4.207 3.132 152 H1 PHE 31 2H0 PHE 31 20.238 -16.592 -4.209 153 H2 PHE 31 1H0 PHE 31 19.937 -15.788 -5.572 154 HA PHE 31 HA PHE 31 18.280 -15.662 -3.136 155 HB2 PHE 31 1HB PHE 31 19.111 -13.402 -3.885 156 HB3 PHE 31 2HB PHE 31 18.344 -13.650 -5.446 157 HD1 PHE 31 HD1 PHE 31 17.935 -13.081 -1.861 158 HD2 PHE 31 HD2 PHE 31 15.848 -13.440 -5.634 159 HE1 PHE 31 HE1 PHE 31 15.813 -12.140 -0.827 160 HE2 PHE 31 HE2 PHE 31 13.750 -12.489 -4.565 161 HZ PHE 31 HZ PHE 31 13.763 -11.826 -2.226 162 H VAL 32 H VAL 32 15.999 -15.871 -3.674 163 HA VAL 32 HA VAL 32 15.389 -16.851 -6.386 164 HB VAL 32 HB VAL 32 15.588 -18.986 -5.078 165 HG11 VAL 32 1HG1 VAL 32 14.039 -19.490 -3.163 166 HG12 VAL 32 2HG1 VAL 32 15.383 -18.359 -2.841 167 HG13 VAL 32 3HG1 VAL 32 13.730 -17.734 -3.065 168 HG21 VAL 32 3HG2 VAL 32 13.349 -20.028 -5.406 169 HG22 VAL 32 1HG2 VAL 32 12.614 -18.392 -5.562 170 HG23 VAL 32 2HG2 VAL 32 13.776 -18.952 -6.786 171 H ASN 33 H ASN 33 13.622 -15.992 -7.199 172 HA ASN 33 HA ASN 33 12.339 -13.836 -5.635 173 HB2 ASN 33 1HB ASN 33 11.916 -14.950 -8.463 174 HB3 ASN 33 2HB ASN 33 11.032 -13.570 -7.751 175 HD21 ASN 33 2HD2 ASN 33 12.720 -13.686 -10.088 176 HD22 ASN 33 1HD2 ASN 33 14.008 -12.570 -9.793 177 H GLN 34 H GLN 34 11.173 -14.613 -4.041 178 HA GLN 34 HA GLN 34 9.073 -16.603 -4.720 179 HB2 GLN 34 1HB GLN 34 10.597 -17.947 -3.585 180 HB3 GLN 34 2HB GLN 34 11.135 -16.629 -2.578 181 HG2 GLN 34 1HG GLN 34 10.149 -18.117 -1.069 182 HG3 GLN 34 2HG GLN 34 9.039 -16.800 -1.194 183 HE21 GLN 34 2HE2 GLN 34 8.586 -19.507 -0.318 184 HE22 GLN 34 1HE2 GLN 34 7.249 -20.052 -1.279 185 H HIS 35 H HIS 35 7.209 -16.405 -3.187 186 HA HIS 35 HA HIS 35 6.295 -13.733 -2.848 187 HB2 HIS 35 1HB HIS 35 5.401 -16.300 -1.445 188 HB3 HIS 35 2HB HIS 35 4.535 -14.763 -1.458 189 HD1 HIS 35 HD1 HIS 35 3.442 -13.946 -3.778 190 HD2 HIS 35 HD2 HIS 35 5.056 -17.847 -3.711 191 HE1 HIS 35 HE1 HIS 35 2.611 -15.135 -5.860 192 HE2 HIS 35 HE2 HIS 35 3.535 -17.498 -5.740 193 H LEU 36 H LEU 36 6.720 -12.296 -1.275 194 HA LEU 36 HA LEU 36 7.684 -13.174 1.405 195 HB2 LEU 36 1HB LEU 36 8.849 -11.277 -0.606 196 HB3 LEU 36 2HB LEU 36 9.088 -10.941 1.107 197 HG LEU 36 HG LEU 36 9.865 -13.535 -0.221 198 HD11 LEU 36 1HD1 LEU 36 11.199 -11.763 -1.287 199 HD12 LEU 36 2HD1 LEU 36 12.222 -12.646 -0.136 200 HD13 LEU 36 3HD1 LEU 36 11.544 -11.028 0.274 201 HD21 LEU 36 3HD2 LEU 36 11.117 -13.987 1.769 202 HD22 LEU 36 1HD2 LEU 36 9.529 -13.410 2.330 203 HD23 LEU 36 2HD2 LEU 36 10.924 -12.334 2.373 204 H CYS 37 H CYS 37 6.542 -12.111 3.025 205 HA CYS 37 HA CYS 37 5.414 -9.478 2.449 206 HB2 CYS 37 1HB CYS 37 3.868 -11.617 1.818 207 HB3 CYS 37 2HB CYS 37 3.486 -11.468 3.525 208 H GLY 38 H GLY 38 4.387 -8.508 4.555 209 HA2 GLY 38 1HA GLY 38 4.306 -8.329 6.892 210 HA3 GLY 38 2HA GLY 38 4.445 -10.083 6.961 211 H SER 39 H SER 39 5.810 -10.121 8.774 212 HA SER 39 HA SER 39 8.072 -8.528 9.136 213 HB2 SER 39 1HB SER 39 7.773 -11.433 9.969 214 HB3 SER 39 2HB SER 39 8.526 -10.092 10.888 215 HG SER 39 HG SER 39 6.548 -9.334 11.430 216 H HIS 40 H HIS 40 7.757 -11.541 7.269 217 HA HIS 40 HA HIS 40 10.530 -12.069 7.109 218 HB2 HIS 40 1HB HIS 40 8.060 -12.881 5.583 219 HB3 HIS 40 2HB HIS 40 9.587 -12.978 4.708 220 HD1 HIS 40 HD1 HIS 40 7.976 -15.560 5.432 221 HD2 HIS 40 HD2 HIS 40 11.067 -13.966 7.785 222 HE1 HIS 40 HE1 HIS 40 8.904 -17.481 6.854 223 HE2 HIS 40 HE2 HIS 40 10.779 -16.523 8.272 224 H LEU 41 H LEU 41 8.467 -10.002 5.140 225 HA LEU 41 HA LEU 41 10.369 -9.618 3.038 226 HB2 LEU 41 1HB LEU 41 7.984 -9.240 2.736 227 HB3 LEU 41 2HB LEU 41 7.973 -8.005 3.990 228 HG LEU 41 HG LEU 41 9.317 -6.483 2.579 229 HD11 LEU 41 1HD1 LEU 41 10.662 -8.153 1.383 230 HD12 LEU 41 2HD1 LEU 41 9.765 -7.111 0.228 231 HD13 LEU 41 3HD1 LEU 41 9.180 -8.762 0.561 232 HD21 LEU 41 3HD2 LEU 41 6.811 -6.429 2.339 233 HD22 LEU 41 1HD2 LEU 41 6.944 -7.673 1.043 234 HD23 LEU 41 2HD2 LEU 41 7.640 -6.037 0.807 235 H VAL 42 H VAL 42 9.417 -7.616 5.825 236 HA VAL 42 HA VAL 42 11.242 -5.555 5.023 237 HB VAL 42 HB VAL 42 9.181 -5.124 6.424 238 HG11 VAL 42 1HG1 VAL 42 9.340 -7.118 7.997 239 HG12 VAL 42 2HG1 VAL 42 10.750 -6.408 8.746 240 HG13 VAL 42 3HG1 VAL 42 9.186 -5.617 8.882 241 HG21 VAL 42 3HG2 VAL 42 11.770 -4.275 7.703 242 HG22 VAL 42 1HG2 VAL 42 10.946 -3.484 6.344 243 HG23 VAL 42 2HG2 VAL 42 10.184 -3.514 7.942 244 H GLU 43 H GLU 43 11.494 -8.392 7.094 245 HA GLU 43 HA GLU 43 14.019 -7.559 8.208 246 HB2 GLU 43 1HB GLU 43 12.455 -9.263 9.127 247 HB3 GLU 43 2HB GLU 43 12.874 -10.347 7.803 248 HG2 GLU 43 1HG GLU 43 15.284 -10.053 8.516 249 HG3 GLU 43 2HG GLU 43 14.649 -9.335 10.004 250 HE2 GLU 43 HE2 GLU 43 15.142 -12.896 10.424 251 H ALA 44 H ALA 44 13.084 -9.509 5.348 252 HA ALA 44 HA ALA 44 15.813 -10.348 4.837 253 HB1 ALA 44 3HB ALA 44 13.735 -11.529 3.954 254 HB2 ALA 44 1HB ALA 44 13.446 -10.188 2.860 255 HB3 ALA 44 2HB ALA 44 14.947 -11.145 2.694 256 H LEU 45 H LEU 45 13.770 -7.689 3.609 257 HA LEU 45 HA LEU 45 15.688 -6.537 1.855 258 HB2 LEU 45 1HB LEU 45 13.181 -6.122 2.289 259 HB3 LEU 45 2HB LEU 45 13.766 -4.997 3.515 260 HG LEU 45 HG LEU 45 14.318 -4.875 0.543 261 HD11 LEU 45 1HD1 LEU 45 12.001 -4.341 1.001 262 HD12 LEU 45 2HD1 LEU 45 12.795 -2.768 0.842 263 HD13 LEU 45 3HD1 LEU 45 12.427 -3.437 2.455 264 HD21 LEU 45 3HD2 LEU 45 15.344 -3.146 2.773 265 HD22 LEU 45 1HD2 LEU 45 14.972 -2.411 1.195 266 HD23 LEU 45 2HD2 LEU 45 16.162 -3.720 1.299 267 H TYR 46 H TYR 46 15.137 -6.026 5.456 268 HA TYR 46 HA TYR 46 17.097 -4.017 5.666 269 HB2 TYR 46 1HB TYR 46 15.642 -4.395 7.532 270 HB3 TYR 46 2HB TYR 46 16.142 -6.079 7.629 271 HD1 TYR 46 HD1 TYR 46 17.265 -2.560 8.279 272 HD2 TYR 46 HD2 TYR 46 18.123 -6.747 8.823 273 HE1 TYR 46 HE1 TYR 46 19.037 -1.970 9.884 274 HE2 TYR 46 HE2 TYR 46 19.918 -6.170 10.438 275 HH TYR 46 HH TYR 46 21.097 -4.414 11.437 276 H LEU 47 H LEU 47 17.365 -7.573 5.782 277 HA LEU 47 HA LEU 47 20.021 -7.562 6.777 278 HB2 LEU 47 1HB LEU 47 18.349 -9.641 5.377 279 HB3 LEU 47 2HB LEU 47 20.041 -9.970 5.802 280 HG LEU 47 HG LEU 47 18.005 -9.075 7.875 281 HD11 LEU 47 1HD1 LEU 47 18.591 -11.893 6.857 282 HD12 LEU 47 2HD1 LEU 47 17.091 -10.972 6.670 283 HD13 LEU 47 3HD1 LEU 47 17.603 -11.515 8.271 284 HD21 LEU 47 3HD2 LEU 47 19.419 -10.243 9.445 285 HD22 LEU 47 1HD2 LEU 47 20.299 -8.978 8.617 286 HD23 LEU 47 2HD2 LEU 47 20.558 -10.662 8.149 287 H VAL 48 H VAL 48 18.658 -7.679 3.483 288 HA VAL 48 HA VAL 48 21.341 -8.052 2.324 289 HB VAL 48 HB VAL 48 19.220 -8.963 1.300 290 HG11 VAL 48 1HG1 VAL 48 18.520 -6.352 0.024 291 HG12 VAL 48 2HG1 VAL 48 17.481 -7.734 0.530 292 HG13 VAL 48 3HG1 VAL 48 18.050 -6.583 1.723 293 HG21 VAL 48 3HG2 VAL 48 21.345 -8.575 -0.042 294 HG22 VAL 48 1HG2 VAL 48 19.826 -8.744 -0.946 295 HG23 VAL 48 2HG2 VAL 48 20.543 -7.133 -0.729 296 H CYS 49 H CYS 49 19.280 -5.245 2.986 297 HA CYS 49 HA CYS 49 21.472 -3.404 2.377 298 HB2 CYS 49 1HB CYS 49 20.109 -4.409 0.213 299 HB3 CYS 49 2HB CYS 49 19.306 -2.891 0.431 300 H GLY 50 H GLY 50 19.480 -3.535 4.673 301 HA2 GLY 50 1HA GLY 50 17.600 -1.357 4.085 302 HA3 GLY 50 2HA GLY 50 17.739 -2.242 5.594 303 H GLU 51 H GLU 51 17.309 -0.285 6.498 304 HA GLU 51 HA GLU 51 19.604 1.531 6.921 305 HB2 GLU 51 1HB GLU 51 16.660 2.222 6.441 306 HB3 GLU 51 2HB GLU 51 17.787 3.317 7.312 307 HG2 GLU 51 1HG GLU 51 19.391 2.962 5.317 308 HG3 GLU 51 2HG GLU 51 17.940 2.447 4.452 309 HE2 GLU 51 HE2 GLU 51 16.574 3.834 3.875 310 H GLN 52 H GLN 52 19.065 3.100 8.889 311 HA GLN 52 HA GLN 52 18.984 1.503 11.218 312 HB2 GLN 52 1HB GLN 52 18.541 4.489 10.936 313 HB3 GLN 52 2HB GLN 52 19.066 3.697 12.422 314 HG2 GLN 52 1HG GLN 52 20.751 3.670 9.817 315 HG3 GLN 52 2HG GLN 52 20.931 4.864 11.050 316 HE21 GLN 52 2HE2 GLN 52 23.027 3.268 10.083 317 HE22 GLN 52 1HE2 GLN 52 23.554 2.273 11.450 318 H GLY 53 H GLY 53 16.324 2.850 9.431 319 HA2 GLY 53 1HA GLY 53 14.581 3.010 11.798 320 HA3 GLY 53 2HA GLY 53 14.190 3.357 10.107 321 H PHE 54 H PHE 54 15.544 0.338 10.015 322 HA PHE 54 HA PHE 54 13.031 -0.754 9.351 323 HB2 PHE 54 1HB PHE 54 15.800 -1.653 9.295 324 HB3 PHE 54 2HB PHE 54 14.551 -2.879 9.181 325 HD1 PHE 54 HD2 PHE 54 15.506 0.453 7.739 326 HD2 PHE 54 HD1 PHE 54 13.720 -3.400 7.063 327 HE1 PHE 54 HE2 PHE 54 15.248 0.951 5.267 328 HE2 PHE 54 HE1 PHE 54 13.422 -2.896 4.616 329 HZ PHE 54 HZ PHE 54 14.225 -0.699 3.751 330 H PHE 55 H PHE 55 14.569 -0.626 12.364 331 HA PHE 55 HA PHE 55 12.718 -2.741 13.434 332 HB2 PHE 55 1HB PHE 55 14.952 -3.733 12.991 333 HB3 PHE 55 2HB PHE 55 15.681 -2.526 14.078 334 HD1 PHE 55 HD1 PHE 55 13.239 -5.291 13.957 335 HD2 PHE 55 HD2 PHE 55 15.734 -2.772 16.383 336 HE1 PHE 55 HE1 PHE 55 12.730 -6.741 15.944 337 HE2 PHE 55 HE2 PHE 55 15.230 -4.157 18.378 338 HZ PHE 55 HZ PHE 55 13.692 -6.205 18.185 339 H TYR 56 H TYR 56 11.802 -2.115 15.377 340 HA TYR 56 HA TYR 56 13.072 0.152 16.793 341 HB2 TYR 56 1HB TYR 56 11.711 1.219 15.098 342 HB3 TYR 56 2HB TYR 56 10.304 0.285 15.551 343 HD1 TYR 56 HD2 TYR 56 12.761 2.391 17.628 344 HD2 TYR 56 HD1 TYR 56 8.633 1.652 16.420 345 HE1 TYR 56 HE2 TYR 56 11.981 4.189 19.167 346 HE2 TYR 56 HE1 TYR 56 7.871 3.493 17.917 347 HH TYR 56 HH TYR 56 10.136 5.458 19.902 348 H THR 57 H THR 57 13.197 -0.305 18.837 349 HA THR 57 HA THR 57 10.789 -1.593 20.091 350 HB THR 57 HB THR 57 12.425 -2.919 21.625 351 HG1 THR 57 HG1 THR 57 14.393 -3.406 20.684 352 HG21 THR 57 1HG2 THR 57 12.046 -3.741 18.717 353 HG22 THR 57 2HG2 THR 57 10.847 -3.920 20.016 354 HG23 THR 57 3HG2 THR 57 12.356 -4.819 20.102 355 HA PRO 58 HA PRO 58 12.180 1.671 22.970 356 HB2 PRO 58 1HB PRO 58 9.927 3.079 23.247 357 HB3 PRO 58 2HB PRO 58 10.926 3.269 21.770 358 HG2 PRO 58 1HG PRO 58 8.473 1.540 22.167 359 HG3 PRO 58 2HG PRO 58 8.826 2.701 20.855 360 HD2 PRO 58 1HD PRO 58 9.229 0.002 20.644 361 HD3 PRO 58 2HD PRO 58 10.214 1.237 19.757 362 H LYS 59 H LYS 59 12.532 0.475 24.694 363 HA LYS 59 HA LYS 59 10.175 -0.753 26.098 364 HB2 LYS 59 1HB LYS 59 13.116 -1.511 26.194 365 HB3 LYS 59 2HB LYS 59 11.810 -2.405 26.983 366 HG2 LYS 59 1HG LYS 59 10.838 -2.945 24.789 367 HG3 LYS 59 2HG LYS 59 12.055 -2.051 23.968 368 HD2 LYS 59 1HD LYS 59 12.844 -4.231 23.708 369 HD3 LYS 59 2HD LYS 59 13.712 -3.710 25.147 370 HE2 LYS 59 1HE LYS 59 11.076 -4.941 25.748 371 HE3 LYS 59 2HE LYS 59 12.311 -6.047 25.066 372 HZ1 LYS 59 3HZ LYS 59 12.377 -5.970 27.460 373 HZ2 LYS 59 1HZ LYS 59 12.600 -4.349 27.456 374 HZ3 LYS 59 2HZ LYS 59 13.765 -5.369 26.869 375 H THR 60 H THR 60 10.674 1.895 26.722 376 HA THR 60 HA THR 60 11.986 1.889 29.353 377 HB THR 60 HB THR 60 10.744 4.387 28.315 378 HG1 THR 60 HG1 THR 60 13.405 3.620 27.602 379 HG21 THR 60 1HG2 THR 60 13.515 4.078 29.590 380 HG22 THR 60 2HG2 THR 60 12.108 4.068 30.605 381 HG23 THR 60 3HG2 THR 60 12.430 5.412 29.638 382 HXT THR 60 H02 THR 60 9.104 2.753 27.929 Start of MODEL 30 1 H1 GLY 1 2H0 GLY 1 1.038 1.175 -0.597 2 H2 GLY 1 1H0 GLY 1 1.220 -0.111 -1.610 3 HA2 GLY 1 1HA GLY 1 2.891 1.489 -2.177 4 HA3 GLY 1 2HA GLY 1 3.474 1.467 -0.490 5 H ILE 2 H ILE 2 5.413 0.618 -0.594 6 HA ILE 2 HA ILE 2 6.469 -1.393 -2.290 7 HB ILE 2 HB ILE 2 8.226 -0.401 -1.095 8 HG12 ILE 2 1HG1 ILE 2 7.569 -2.821 0.600 9 HG13 ILE 2 2HG1 ILE 2 8.558 -2.761 -0.897 10 HG21 ILE 2 1HG2 ILE 2 6.741 0.895 0.526 11 HG22 ILE 2 2HG2 ILE 2 6.690 -0.575 1.568 12 HG23 ILE 2 3HG2 ILE 2 8.195 0.338 1.247 13 HD11 ILE 2 3HD1 ILE 2 9.303 -1.585 1.877 14 HD12 ILE 2 1HD1 ILE 2 10.147 -2.868 1.015 15 HD13 ILE 2 2HD1 ILE 2 10.179 -1.225 0.375 16 H VAL 3 H VAL 3 4.474 -1.693 0.651 17 HA VAL 3 HA VAL 3 4.966 -4.459 1.094 18 HB VAL 3 HB VAL 3 2.621 -2.691 1.862 19 HG11 VAL 3 1HG1 VAL 3 2.154 -4.583 3.526 20 HG12 VAL 3 2HG1 VAL 3 1.639 -4.827 1.885 21 HG13 VAL 3 3HG1 VAL 3 3.105 -5.627 2.468 22 HG21 VAL 3 3HG2 VAL 3 3.663 -2.739 4.108 23 HG22 VAL 3 1HG2 VAL 3 4.879 -3.931 3.580 24 HG23 VAL 3 2HG2 VAL 3 4.903 -2.240 2.944 25 H GLU 4 H GLU 4 2.404 -2.860 -0.802 26 HA GLU 4 HA GLU 4 1.381 -5.503 -1.477 27 HB2 GLU 4 1HB GLU 4 -0.366 -4.385 -2.635 28 HB3 GLU 4 2HB GLU 4 -0.219 -3.604 -1.073 29 HG2 GLU 4 1HG GLU 4 0.925 -1.705 -2.134 30 HG3 GLU 4 2HG GLU 4 0.877 -2.445 -3.718 31 HE2 GLU 4 HE2 GLU 4 -1.375 -3.276 -4.008 32 H GLN 5 H GLN 5 3.589 -3.149 -2.833 33 HA GLN 5 HA GLN 5 3.609 -4.050 -5.582 34 HB2 GLN 5 1HB GLN 5 5.496 -2.591 -3.806 35 HB3 GLN 5 2HB GLN 5 6.036 -3.070 -5.412 36 HG2 GLN 5 1HG GLN 5 3.546 -1.483 -5.007 37 HG3 GLN 5 2HG GLN 5 5.132 -0.700 -5.018 38 HE21 GLN 5 2HE2 GLN 5 2.757 -2.275 -7.047 39 HE22 GLN 5 1HE2 GLN 5 3.620 -1.900 -8.574 40 H CYS 6 H CYS 6 5.292 -5.058 -2.611 41 HA CYS 6 HA CYS 6 6.935 -7.046 -4.139 42 HB2 CYS 6 1HB CYS 6 7.792 -5.854 -2.067 43 HB3 CYS 6 2HB CYS 6 6.506 -6.653 -1.123 44 H CYS 7 H CYS 7 4.140 -7.028 -1.798 45 HA CYS 7 HA CYS 7 3.962 -10.001 -1.803 46 HB2 CYS 7 1HB CYS 7 3.451 -8.378 0.100 47 HB3 CYS 7 2HB CYS 7 1.957 -8.038 -0.758 48 H THR 8 H THR 8 3.681 -9.471 -4.436 49 HA THR 8 HA THR 8 0.868 -10.265 -4.896 50 HB THR 8 HB THR 8 0.850 -7.806 -5.018 51 HG1 THR 8 HG1 THR 8 -0.471 -7.811 -6.766 52 HG21 THR 8 1HG2 THR 8 1.882 -6.712 -7.093 53 HG22 THR 8 2HG2 THR 8 2.780 -8.221 -7.320 54 HG23 THR 8 3HG2 THR 8 3.055 -7.263 -5.834 55 H SER 9 H SER 9 4.209 -10.474 -5.545 56 HA SER 9 HA SER 9 3.700 -12.347 -7.733 57 HB2 SER 9 1HB SER 9 4.165 -10.040 -8.648 58 HB3 SER 9 2HB SER 9 5.847 -10.209 -8.009 59 HG SER 9 HG SER 9 5.854 -10.888 -10.077 60 H ILE 10 H ILE 10 6.126 -13.344 -8.212 61 HA ILE 10 HA ILE 10 7.394 -14.058 -5.626 62 HB ILE 10 HB ILE 10 8.402 -14.360 -8.490 63 HG12 ILE 10 1HG1 ILE 10 6.523 -15.806 -8.060 64 HG13 ILE 10 2HG1 ILE 10 7.972 -16.768 -8.189 65 HG21 ILE 10 1HG2 ILE 10 9.614 -15.138 -5.814 66 HG22 ILE 10 2HG2 ILE 10 10.089 -15.956 -7.327 67 HG23 ILE 10 3HG2 ILE 10 10.318 -14.203 -7.146 68 HD11 ILE 10 3HD1 ILE 10 7.970 -17.184 -5.724 69 HD12 ILE 10 1HD1 ILE 10 6.675 -15.993 -5.506 70 HD13 ILE 10 2HD1 ILE 10 6.311 -17.503 -6.307 71 H CYS 11 H CYS 11 8.739 -12.618 -4.447 72 HA CYS 11 HA CYS 11 9.121 -10.027 -5.810 73 HB2 CYS 11 1HB CYS 11 8.253 -10.522 -3.384 74 HB3 CYS 11 2HB CYS 11 9.985 -10.726 -2.991 75 H SER 12 H SER 12 11.133 -9.307 -6.708 76 HA SER 12 HA SER 12 13.361 -11.224 -6.603 77 HB2 SER 12 1HB SER 12 14.335 -9.802 -8.354 78 HB3 SER 12 2HB SER 12 12.665 -10.304 -8.821 79 HG SER 12 HG SER 12 12.760 -8.183 -9.137 80 H LEU 13 H LEU 13 15.460 -10.591 -6.027 81 HA LEU 13 HA LEU 13 15.580 -8.677 -3.919 82 HB2 LEU 13 1HB LEU 13 17.841 -9.200 -3.674 83 HB3 LEU 13 2HB LEU 13 17.152 -10.675 -4.276 84 HG LEU 13 HG LEU 13 18.047 -9.625 -6.611 85 HD11 LEU 13 1HD1 LEU 13 20.355 -8.815 -6.208 86 HD12 LEU 13 2HD1 LEU 13 20.077 -8.856 -4.447 87 HD13 LEU 13 3HD1 LEU 13 19.194 -7.706 -5.509 88 HD21 LEU 13 3HD2 LEU 13 18.333 -11.925 -5.721 89 HD22 LEU 13 1HD2 LEU 13 19.644 -11.316 -4.673 90 HD23 LEU 13 2HD2 LEU 13 19.818 -11.257 -6.457 91 H TYR 14 H TYR 14 15.801 -8.481 -7.345 92 HA TYR 14 HA TYR 14 17.393 -6.144 -7.631 93 HB2 TYR 14 1HB TYR 14 16.772 -7.960 -9.327 94 HB3 TYR 14 2HB TYR 14 15.212 -7.210 -9.454 95 HD1 TYR 14 HD1 TYR 14 18.819 -6.829 -10.356 96 HD2 TYR 14 HD2 TYR 14 14.874 -5.105 -10.627 97 HE1 TYR 14 HE1 TYR 14 19.585 -5.333 -12.155 98 HE2 TYR 14 HE2 TYR 14 15.696 -3.604 -12.551 99 HH TYR 14 HH TYR 14 18.987 -3.698 -13.763 100 H GLN 15 H GLN 15 13.790 -6.568 -7.365 101 HA GLN 15 HA GLN 15 13.416 -3.659 -7.609 102 HB2 GLN 15 1HB GLN 15 11.804 -6.130 -7.700 103 HB3 GLN 15 2HB GLN 15 11.021 -4.951 -6.630 104 HG2 GLN 15 1HG GLN 15 10.813 -3.346 -8.351 105 HG3 GLN 15 2HG GLN 15 11.975 -4.129 -9.386 106 HE21 GLN 15 2HE2 GLN 15 8.793 -3.520 -9.142 107 HE22 GLN 15 1HE2 GLN 15 8.110 -4.900 -9.963 108 H LEU 16 H LEU 16 13.604 -6.152 -5.054 109 HA LEU 16 HA LEU 16 12.829 -4.632 -2.781 110 HB2 LEU 16 1HB LEU 16 13.297 -7.058 -2.887 111 HB3 LEU 16 2HB LEU 16 15.010 -6.662 -3.033 112 HG LEU 16 HG LEU 16 14.836 -5.468 -0.809 113 HD11 LEU 16 1HD1 LEU 16 12.880 -6.267 0.665 114 HD12 LEU 16 2HD1 LEU 16 12.103 -6.935 -0.779 115 HD13 LEU 16 3HD1 LEU 16 12.356 -5.169 -0.573 116 HD21 LEU 16 3HD2 LEU 16 14.249 -8.436 -0.908 117 HD22 LEU 16 1HD2 LEU 16 15.009 -7.581 0.411 118 HD23 LEU 16 2HD2 LEU 16 15.845 -7.698 -1.118 119 H GLU 17 H GLU 17 16.014 -4.758 -4.449 120 HA GLU 17 HA GLU 17 17.326 -2.968 -2.632 121 HB2 GLU 17 1HB GLU 17 17.911 -3.678 -5.502 122 HB3 GLU 17 2HB GLU 17 18.986 -2.676 -4.517 123 HG2 GLU 17 1HG GLU 17 18.182 -5.283 -3.429 124 HG3 GLU 17 2HG GLU 17 19.190 -5.297 -4.856 125 HE2 GLU 17 HE2 GLU 17 18.888 -3.520 -1.977 126 H ASN 18 H ASN 18 14.995 -2.215 -5.086 127 HA ASN 18 HA ASN 18 15.992 0.451 -5.529 128 HB2 ASN 18 1HB ASN 18 14.400 -0.846 -7.023 129 HB3 ASN 18 2HB ASN 18 13.057 -0.488 -5.855 130 HD21 ASN 18 2HD2 ASN 18 15.085 0.687 -8.364 131 HD22 ASN 18 1HD2 ASN 18 14.453 2.293 -8.466 132 H TYR 19 H TYR 19 14.232 -1.213 -2.991 133 HA TYR 19 HA TYR 19 13.079 1.238 -1.816 134 HB2 TYR 19 1HB TYR 19 13.330 -1.470 -0.615 135 HB3 TYR 19 2HB TYR 19 12.231 -0.183 -0.145 136 HD1 TYR 19 HD2 TYR 19 10.940 0.619 -2.538 137 HD2 TYR 19 HD1 TYR 19 12.148 -3.281 -1.524 138 HE1 TYR 19 HE2 TYR 19 9.112 -0.264 -4.020 139 HE2 TYR 19 HE1 TYR 19 10.279 -4.223 -2.857 140 HH TYR 19 HH TYR 19 8.462 -3.772 -4.057 141 H CYS 20 H CYS 20 16.134 -0.065 -2.074 142 HA CYS 20 HA CYS 20 16.932 0.561 0.754 143 HB2 CYS 20 1HB CYS 20 17.329 -1.721 -0.380 144 HB3 CYS 20 2HB CYS 20 18.550 -0.912 -1.382 145 H ASN 21 H ASN 21 16.447 2.463 -1.674 146 HA ASN 21 HA ASN 21 19.036 3.857 -1.533 147 HB2 ASN 21 1HB ASN 21 19.276 2.370 -3.438 148 HB3 ASN 21 2HB ASN 21 17.832 3.025 -4.223 149 HD21 ASN 21 2HD2 ASN 21 21.167 3.210 -3.996 150 HD22 ASN 21 1HD2 ASN 21 21.360 4.787 -4.731 151 HXT ASN 21 H02 ASN 21 17.281 6.592 -1.828 152 H1 PHE 31 2H0 PHE 31 19.318 -16.432 -3.479 153 H2 PHE 31 1H0 PHE 31 20.272 -15.287 -2.866 154 HA PHE 31 HA PHE 31 18.572 -14.667 -1.276 155 HB2 PHE 31 1HB PHE 31 19.033 -13.384 -3.295 156 HB3 PHE 31 2HB PHE 31 17.979 -14.436 -4.219 157 HD1 PHE 31 HD1 PHE 31 18.120 -12.077 -1.343 158 HD2 PHE 31 HD2 PHE 31 15.688 -13.897 -4.407 159 HE1 PHE 31 HE1 PHE 31 16.233 -10.539 -0.751 160 HE2 PHE 31 HE2 PHE 31 13.881 -12.270 -3.836 161 HZ PHE 31 HZ PHE 31 14.096 -10.699 -2.041 162 H VAL 32 H VAL 32 16.571 -14.781 -0.375 163 HA VAL 32 HA VAL 32 14.959 -17.156 -1.063 164 HB VAL 32 HB VAL 32 14.165 -14.866 0.772 165 HG11 VAL 32 1HG1 VAL 32 13.437 -17.793 0.848 166 HG12 VAL 32 2HG1 VAL 32 12.723 -16.487 1.811 167 HG13 VAL 32 3HG1 VAL 32 12.403 -16.566 0.076 168 HG21 VAL 32 3HG2 VAL 32 15.156 -16.347 2.614 169 HG22 VAL 32 1HG2 VAL 32 15.890 -17.325 1.360 170 HG23 VAL 32 2HG2 VAL 32 16.379 -15.655 1.566 171 H ASN 33 H ASN 33 14.364 -16.886 -3.169 172 HA ASN 33 HA ASN 33 12.796 -14.546 -4.051 173 HB2 ASN 33 1HB ASN 33 12.761 -15.741 -6.211 174 HB3 ASN 33 2HB ASN 33 14.383 -15.534 -5.611 175 HD21 ASN 33 2HD2 ASN 33 15.442 -17.343 -4.480 176 HD22 ASN 33 1HD2 ASN 33 15.072 -18.940 -5.131 177 H GLN 34 H GLN 34 10.871 -14.359 -2.996 178 HA GLN 34 HA GLN 34 9.016 -16.716 -3.073 179 HB2 GLN 34 1HB GLN 34 10.550 -17.142 -1.215 180 HB3 GLN 34 2HB GLN 34 10.208 -15.564 -0.518 181 HG2 GLN 34 1HG GLN 34 7.914 -16.240 -0.045 182 HG3 GLN 34 2HG GLN 34 8.185 -17.800 -0.810 183 HE21 GLN 34 2HE2 GLN 34 8.271 -19.339 0.651 184 HE22 GLN 34 1HE2 GLN 34 9.192 -19.228 2.121 185 H HIS 35 H HIS 35 6.910 -15.981 -1.961 186 HA HIS 35 HA HIS 35 6.211 -13.212 -2.553 187 HB2 HIS 35 1HB HIS 35 4.600 -15.322 -1.077 188 HB3 HIS 35 2HB HIS 35 3.990 -13.775 -1.739 189 HD1 HIS 35 HD1 HIS 35 4.291 -13.586 -4.486 190 HD2 HIS 35 HD2 HIS 35 4.328 -17.404 -2.804 191 HE1 HIS 35 HE1 HIS 35 3.767 -15.184 -6.337 192 HE2 HIS 35 HE2 HIS 35 3.730 -17.509 -5.339 193 H LEU 36 H LEU 36 7.789 -12.191 -1.342 194 HA LEU 36 HA LEU 36 7.875 -12.529 1.590 195 HB2 LEU 36 1HB LEU 36 9.048 -10.464 -0.308 196 HB3 LEU 36 2HB LEU 36 9.334 -10.469 1.435 197 HG LEU 36 HG LEU 36 10.104 -12.714 -0.535 198 HD11 LEU 36 1HD1 LEU 36 12.447 -11.816 -0.064 199 HD12 LEU 36 2HD1 LEU 36 11.737 -10.367 0.684 200 HD13 LEU 36 3HD1 LEU 36 11.474 -10.731 -1.051 201 HD21 LEU 36 3HD2 LEU 36 10.990 -12.147 2.378 202 HD22 LEU 36 1HD2 LEU 36 11.513 -13.494 1.356 203 HD23 LEU 36 2HD2 LEU 36 9.826 -13.391 1.895 204 H CYS 37 H CYS 37 6.503 -11.590 2.919 205 HA CYS 37 HA CYS 37 5.090 -9.079 2.245 206 HB2 CYS 37 1HB CYS 37 3.734 -11.626 3.243 207 HB3 CYS 37 2HB CYS 37 2.932 -10.083 2.846 208 H GLY 38 H GLY 38 3.776 -8.593 4.479 209 HA2 GLY 38 1HA GLY 38 3.776 -8.368 6.737 210 HA3 GLY 38 2HA GLY 38 4.233 -10.010 6.794 211 H SER 39 H SER 39 5.718 -10.076 8.394 212 HA SER 39 HA SER 39 7.711 -8.076 8.791 213 HB2 SER 39 1HB SER 39 8.436 -9.539 10.597 214 HB3 SER 39 2HB SER 39 6.700 -9.391 10.544 215 HG SER 39 HG SER 39 7.329 -11.625 10.774 216 H HIS 40 H HIS 40 7.566 -11.124 6.927 217 HA HIS 40 HA HIS 40 10.361 -11.654 6.769 218 HB2 HIS 40 1HB HIS 40 7.999 -12.258 4.987 219 HB3 HIS 40 2HB HIS 40 9.636 -12.844 4.664 220 HD1 HIS 40 HD1 HIS 40 10.156 -15.123 5.467 221 HD2 HIS 40 HD2 HIS 40 7.264 -13.232 7.902 222 HE1 HIS 40 HE1 HIS 40 9.390 -16.848 7.222 223 HE2 HIS 40 HE2 HIS 40 7.620 -15.727 8.618 224 H LEU 41 H LEU 41 8.292 -9.267 5.180 225 HA LEU 41 HA LEU 41 9.931 -8.861 2.879 226 HB2 LEU 41 1HB LEU 41 7.634 -8.238 2.815 227 HB3 LEU 41 2HB LEU 41 7.783 -7.329 4.332 228 HG LEU 41 HG LEU 41 9.033 -5.572 3.261 229 HD11 LEU 41 1HD1 LEU 41 10.324 -6.654 1.617 230 HD12 LEU 41 2HD1 LEU 41 9.154 -5.625 0.754 231 HD13 LEU 41 3HD1 LEU 41 8.876 -7.370 0.874 232 HD21 LEU 41 3HD2 LEU 41 6.442 -5.698 3.160 233 HD22 LEU 41 1HD2 LEU 41 6.618 -6.299 1.461 234 HD23 LEU 41 2HD2 LEU 41 7.185 -4.640 1.925 235 H VAL 42 H VAL 42 9.519 -6.985 5.928 236 HA VAL 42 HA VAL 42 11.686 -5.213 5.357 237 HB VAL 42 HB VAL 42 11.544 -4.635 7.807 238 HG11 VAL 42 1HG1 VAL 42 8.831 -4.613 6.415 239 HG12 VAL 42 2HG1 VAL 42 9.403 -3.497 7.692 240 HG13 VAL 42 3HG1 VAL 42 10.158 -3.485 6.103 241 HG21 VAL 42 3HG2 VAL 42 9.967 -5.594 9.302 242 HG22 VAL 42 1HG2 VAL 42 9.132 -6.495 7.979 243 HG23 VAL 42 2HG2 VAL 42 10.734 -6.953 8.512 244 H GLU 43 H GLU 43 11.488 -8.329 7.107 245 HA GLU 43 HA GLU 43 14.156 -8.319 8.095 246 HB2 GLU 43 1HB GLU 43 12.311 -10.002 8.471 247 HB3 GLU 43 2HB GLU 43 12.703 -10.706 6.919 248 HG2 GLU 43 1HG GLU 43 14.159 -11.986 8.079 249 HG3 GLU 43 2HG GLU 43 15.179 -10.568 8.379 250 HE2 GLU 43 HE2 GLU 43 14.057 -12.966 9.655 251 H ALA 44 H ALA 44 12.902 -9.308 4.889 252 HA ALA 44 HA ALA 44 15.465 -10.300 3.900 253 HB1 ALA 44 3HB ALA 44 12.991 -9.247 2.482 254 HB2 ALA 44 1HB ALA 44 14.424 -9.986 1.703 255 HB3 ALA 44 2HB ALA 44 13.426 -10.943 2.829 256 H LEU 45 H LEU 45 13.686 -7.191 3.866 257 HA LEU 45 HA LEU 45 15.481 -5.808 2.137 258 HB2 LEU 45 1HB LEU 45 13.106 -5.055 2.865 259 HB3 LEU 45 2HB LEU 45 13.843 -4.638 4.410 260 HG LEU 45 HG LEU 45 15.245 -2.880 3.388 261 HD11 LEU 45 1HD1 LEU 45 14.924 -2.224 1.045 262 HD12 LEU 45 2HD1 LEU 45 13.926 -3.629 0.748 263 HD13 LEU 45 3HD1 LEU 45 15.626 -3.851 1.148 264 HD21 LEU 45 3HD2 LEU 45 13.135 -2.193 4.156 265 HD22 LEU 45 1HD2 LEU 45 12.309 -2.841 2.720 266 HD23 LEU 45 2HD2 LEU 45 13.373 -1.434 2.558 267 H TYR 46 H TYR 46 15.437 -6.287 5.716 268 HA TYR 46 HA TYR 46 17.730 -4.591 6.151 269 HB2 TYR 46 1HB TYR 46 16.273 -5.261 8.032 270 HB3 TYR 46 2HB TYR 46 16.578 -6.978 7.705 271 HD1 TYR 46 HD1 TYR 46 18.076 -3.824 9.038 272 HD2 TYR 46 HD2 TYR 46 18.612 -8.068 8.486 273 HE1 TYR 46 HE1 TYR 46 20.054 -3.729 10.527 274 HE2 TYR 46 HE2 TYR 46 20.498 -8.052 10.098 275 HH TYR 46 HH TYR 46 21.793 -6.723 11.508 276 H LEU 47 H LEU 47 17.404 -8.130 5.548 277 HA LEU 47 HA LEU 47 20.230 -8.671 5.805 278 HB2 LEU 47 1HB LEU 47 17.990 -10.056 4.309 279 HB3 LEU 47 2HB LEU 47 19.662 -10.658 4.329 280 HG LEU 47 HG LEU 47 17.993 -10.144 6.815 281 HD11 LEU 47 1HD1 LEU 47 18.426 -12.784 5.277 282 HD12 LEU 47 2HD1 LEU 47 16.889 -11.802 5.344 283 HD13 LEU 47 3HD1 LEU 47 17.504 -12.552 6.830 284 HD21 LEU 47 3HD2 LEU 47 20.455 -10.252 7.186 285 HD22 LEU 47 1HD2 LEU 47 20.512 -11.864 6.408 286 HD23 LEU 47 2HD2 LEU 47 19.609 -11.605 7.948 287 H VAL 48 H VAL 48 18.323 -7.691 2.882 288 HA VAL 48 HA VAL 48 20.716 -8.009 1.223 289 HB VAL 48 HB VAL 48 18.288 -8.067 0.395 290 HG11 VAL 48 1HG1 VAL 48 17.311 -5.941 -0.352 291 HG12 VAL 48 2HG1 VAL 48 17.477 -5.979 1.412 292 HG13 VAL 48 3HG1 VAL 48 18.603 -5.031 0.458 293 HG21 VAL 48 3HG2 VAL 48 20.263 -6.351 -1.111 294 HG22 VAL 48 1HG2 VAL 48 20.280 -8.119 -1.029 295 HG23 VAL 48 2HG2 VAL 48 18.887 -7.261 -1.825 296 H CYS 49 H CYS 49 19.390 -5.325 3.259 297 HA CYS 49 HA CYS 49 21.096 -3.385 1.838 298 HB2 CYS 49 1HB CYS 49 19.355 -3.098 4.285 299 HB3 CYS 49 2HB CYS 49 20.312 -1.749 3.677 300 H GLY 50 H GLY 50 21.230 -4.938 5.095 301 HA2 GLY 50 1HA GLY 50 23.023 -5.051 6.574 302 HA3 GLY 50 2HA GLY 50 24.048 -4.602 5.215 303 H GLU 51 H GLU 51 21.413 -2.478 6.175 304 HA GLU 51 HA GLU 51 23.427 -0.346 6.483 305 HB2 GLU 51 1HB GLU 51 20.412 -0.360 6.467 306 HB3 GLU 51 2HB GLU 51 21.358 1.075 6.902 307 HG2 GLU 51 1HG GLU 51 21.676 -0.410 4.284 308 HG3 GLU 51 2HG GLU 51 20.611 0.965 4.500 309 HE2 GLU 51 HE2 GLU 51 24.283 1.520 3.678 310 H GLN 52 H GLN 52 20.554 -0.835 8.578 311 HA GLN 52 HA GLN 52 22.235 -0.971 10.901 312 HB2 GLN 52 1HB GLN 52 21.469 1.182 11.952 313 HB3 GLN 52 2HB GLN 52 22.362 1.386 10.418 314 HG2 GLN 52 1HG GLN 52 20.168 1.653 9.326 315 HG3 GLN 52 2HG GLN 52 19.420 1.793 10.893 316 HE21 GLN 52 2HE2 GLN 52 19.282 3.788 11.693 317 HE22 GLN 52 1HE2 GLN 52 20.271 5.135 11.158 318 H GLY 53 H GLY 53 18.924 -0.686 9.583 319 HA2 GLY 53 1HA GLY 53 17.580 -2.625 10.742 320 HA3 GLY 53 2HA GLY 53 17.896 -1.668 12.190 321 H PHE 54 H PHE 54 15.269 -2.149 11.457 322 HA PHE 54 HA PHE 54 14.355 0.579 10.601 323 HB2 PHE 54 1HB PHE 54 12.908 -2.050 10.079 324 HB3 PHE 54 2HB PHE 54 12.368 -0.446 9.620 325 HD1 PHE 54 HD1 PHE 54 14.285 0.876 8.222 326 HD2 PHE 54 HD2 PHE 54 13.808 -3.392 8.417 327 HE1 PHE 54 HE1 PHE 54 15.627 0.659 6.187 328 HE2 PHE 54 HE2 PHE 54 15.141 -3.643 6.329 329 HZ PHE 54 HZ PHE 54 16.117 -1.647 5.227 330 H PHE 55 H PHE 55 14.352 -1.830 12.937 331 HA PHE 55 HA PHE 55 12.662 -0.277 14.801 332 HB2 PHE 55 1HB PHE 55 11.289 -2.267 13.461 333 HB3 PHE 55 2HB PHE 55 12.144 -3.274 14.639 334 HD1 PHE 55 HD2 PHE 55 9.936 -0.290 14.231 335 HD2 PHE 55 HD1 PHE 55 11.244 -3.409 16.864 336 HE1 PHE 55 HE2 PHE 55 8.174 0.378 15.833 337 HE2 PHE 55 HE1 PHE 55 9.528 -2.640 18.571 338 HZ PHE 55 HZ PHE 55 8.026 -0.774 17.976 339 H TYR 56 H TYR 56 13.200 -0.973 16.984 340 HA TYR 56 HA TYR 56 15.569 -2.792 17.169 341 HB2 TYR 56 1HB TYR 56 16.167 -0.205 16.928 342 HB3 TYR 56 2HB TYR 56 15.661 -0.119 18.603 343 HD1 TYR 56 HD1 TYR 56 16.753 -2.670 19.685 344 HD2 TYR 56 HD2 TYR 56 18.499 0.029 16.885 345 HE1 TYR 56 HE1 TYR 56 19.028 -3.573 20.290 346 HE2 TYR 56 HE2 TYR 56 20.799 -0.861 17.421 347 HH TYR 56 HH TYR 56 21.974 -2.347 18.706 348 H THR 57 H THR 57 15.000 -4.256 18.694 349 HA THR 57 HA THR 57 13.868 -3.359 21.218 350 HB THR 57 HB THR 57 12.293 -5.431 19.528 351 HG1 THR 57 HG1 THR 57 11.964 -2.667 20.003 352 HG21 THR 57 1HG2 THR 57 12.239 -5.813 21.982 353 HG22 THR 57 2HG2 THR 57 10.663 -5.442 21.274 354 HG23 THR 57 3HG2 THR 57 11.578 -4.169 22.148 355 HA PRO 58 HA PRO 58 16.763 -6.869 21.634 356 HB2 PRO 58 1HB PRO 58 17.764 -6.170 24.094 357 HB3 PRO 58 2HB PRO 58 18.431 -5.552 22.539 358 HG2 PRO 58 1HG PRO 58 16.511 -4.242 24.466 359 HG3 PRO 58 2HG PRO 58 17.888 -3.496 23.576 360 HD2 PRO 58 1HD PRO 58 15.421 -3.111 22.788 361 HD3 PRO 58 2HD PRO 58 16.746 -3.240 21.623 362 H LYS 59 H LYS 59 16.434 -8.785 22.695 363 HA LYS 59 HA LYS 59 14.895 -8.587 25.263 364 HB2 LYS 59 1HB LYS 59 13.480 -9.141 23.148 365 HB3 LYS 59 2HB LYS 59 14.157 -10.769 23.294 366 HG2 LYS 59 1HG LYS 59 13.247 -10.891 25.653 367 HG3 LYS 59 2HG LYS 59 12.592 -9.308 25.468 368 HD2 LYS 59 1HD LYS 59 11.203 -10.016 23.648 369 HD3 LYS 59 2HD LYS 59 11.764 -11.704 23.832 370 HE2 LYS 59 1HE LYS 59 10.944 -11.511 26.246 371 HE3 LYS 59 2HE LYS 59 10.312 -9.929 25.863 372 HZ1 LYS 59 3HZ LYS 59 8.536 -11.511 25.763 373 HZ2 LYS 59 1HZ LYS 59 9.296 -12.401 24.577 374 HZ3 LYS 59 2HZ LYS 59 8.833 -10.882 24.240 375 H THR 60 H THR 60 17.643 -8.908 24.697 376 HA THR 60 HA THR 60 18.355 -11.750 24.992 377 HB THR 60 HB THR 60 20.634 -10.189 25.163 378 HG1 THR 60 HG1 THR 60 20.226 -8.449 23.723 379 HG21 THR 60 1HG2 THR 60 20.310 -12.044 23.496 380 HG22 THR 60 2HG2 THR 60 20.709 -10.525 22.626 381 HG23 THR 60 3HG2 THR 60 19.015 -11.129 22.678 382 HXT THR 60 H02 THR 60 18.476 -9.022 26.741 Start of MODEL 31 1 H1 GLY 1 2H0 GLY 1 4.001 2.326 -2.767 2 H2 GLY 1 1H0 GLY 1 2.931 1.425 -3.552 3 HA2 GLY 1 1HA GLY 1 3.253 1.520 -0.613 4 HA3 GLY 1 2HA GLY 1 1.983 0.596 -1.436 5 H ILE 2 H ILE 2 5.308 0.720 -0.675 6 HA ILE 2 HA ILE 2 6.389 -1.289 -2.281 7 HB ILE 2 HB ILE 2 7.890 0.073 -0.970 8 HG12 ILE 2 1HG1 ILE 2 7.912 -2.789 0.122 9 HG13 ILE 2 2HG1 ILE 2 8.788 -2.160 -1.291 10 HG21 ILE 2 1HG2 ILE 2 6.108 0.327 1.006 11 HG22 ILE 2 2HG2 ILE 2 6.980 -1.046 1.700 12 HG23 ILE 2 3HG2 ILE 2 7.866 0.470 1.322 13 HD11 ILE 2 3HD1 ILE 2 10.141 -0.654 0.213 14 HD12 ILE 2 1HD1 ILE 2 9.396 -1.431 1.636 15 HD13 ILE 2 2HD1 ILE 2 10.409 -2.376 0.505 16 H VAL 3 H VAL 3 4.758 -1.832 0.922 17 HA VAL 3 HA VAL 3 5.147 -4.599 0.966 18 HB VAL 3 HB VAL 3 2.728 -3.153 2.033 19 HG11 VAL 3 1HG1 VAL 3 2.560 -4.926 3.666 20 HG12 VAL 3 2HG1 VAL 3 2.501 -5.621 2.032 21 HG13 VAL 3 3HG1 VAL 3 4.003 -5.730 3.021 22 HG21 VAL 3 3HG2 VAL 3 4.148 -3.191 4.168 23 HG22 VAL 3 1HG2 VAL 3 5.550 -3.439 3.089 24 HG23 VAL 3 2HG2 VAL 3 4.528 -2.010 2.939 25 H GLU 4 H GLU 4 2.267 -2.839 -0.479 26 HA GLU 4 HA GLU 4 1.051 -5.298 -1.387 27 HB2 GLU 4 1HB GLU 4 0.774 -2.443 -2.462 28 HB3 GLU 4 2HB GLU 4 -0.239 -3.853 -2.898 29 HG2 GLU 4 1HG GLU 4 -0.673 -4.065 -0.313 30 HG3 GLU 4 2HG GLU 4 -0.044 -2.405 -0.237 31 HE2 GLU 4 HE2 GLU 4 -3.698 -2.906 -1.030 32 H GLN 5 H GLN 5 3.368 -3.062 -3.064 33 HA GLN 5 HA GLN 5 3.308 -4.481 -5.590 34 HB2 GLN 5 1HB GLN 5 5.530 -2.965 -4.184 35 HB3 GLN 5 2HB GLN 5 5.702 -3.571 -5.834 36 HG2 GLN 5 1HG GLN 5 3.475 -1.708 -5.031 37 HG3 GLN 5 2HG GLN 5 5.072 -1.114 -5.479 38 HE21 GLN 5 2HE2 GLN 5 5.592 -1.054 -7.631 39 HE22 GLN 5 1HE2 GLN 5 4.516 -1.574 -8.896 40 H CYS 6 H CYS 6 5.188 -5.144 -2.569 41 HA CYS 6 HA CYS 6 6.750 -7.282 -3.898 42 HB2 CYS 6 1HB CYS 6 7.565 -5.680 -2.054 43 HB3 CYS 6 2HB CYS 6 6.518 -6.561 -0.944 44 H CYS 7 H CYS 7 3.772 -6.920 -2.044 45 HA CYS 7 HA CYS 7 3.699 -9.675 -1.104 46 HB2 CYS 7 1HB CYS 7 2.364 -7.679 -0.182 47 HB3 CYS 7 2HB CYS 7 1.356 -7.749 -1.606 48 H THR 8 H THR 8 2.526 -7.945 -3.927 49 HA THR 8 HA THR 8 1.140 -10.347 -5.008 50 HB THR 8 HB THR 8 0.567 -8.864 -6.943 51 HG1 THR 8 HG1 THR 8 1.551 -6.713 -5.393 52 HG21 THR 8 1HG2 THR 8 -0.952 -9.075 -5.085 53 HG22 THR 8 2HG2 THR 8 -1.016 -7.457 -5.797 54 HG23 THR 8 3HG2 THR 8 -0.197 -7.673 -4.243 55 H SER 9 H SER 9 1.704 -11.262 -6.929 56 HA SER 9 HA SER 9 3.231 -12.342 -8.274 57 HB2 SER 9 1HB SER 9 4.476 -11.068 -9.687 58 HB3 SER 9 2HB SER 9 3.150 -9.957 -9.222 59 HG SER 9 HG SER 9 4.632 -9.107 -7.579 60 H ILE 10 H ILE 10 5.873 -12.380 -8.656 61 HA ILE 10 HA ILE 10 6.818 -13.247 -6.003 62 HB ILE 10 HB ILE 10 8.201 -13.515 -8.741 63 HG12 ILE 10 1HG1 ILE 10 6.007 -14.828 -8.505 64 HG13 ILE 10 2HG1 ILE 10 7.460 -15.727 -8.908 65 HG21 ILE 10 1HG2 ILE 10 9.556 -15.267 -7.466 66 HG22 ILE 10 2HG2 ILE 10 9.870 -13.539 -7.016 67 HG23 ILE 10 3HG2 ILE 10 8.862 -14.598 -5.968 68 HD11 ILE 10 3HD1 ILE 10 6.422 -15.559 -6.031 69 HD12 ILE 10 1HD1 ILE 10 5.781 -16.740 -7.141 70 HD13 ILE 10 2HD1 ILE 10 7.495 -16.797 -6.753 71 H CYS 11 H CYS 11 8.096 -11.896 -4.803 72 HA CYS 11 HA CYS 11 9.021 -9.349 -5.872 73 HB2 CYS 11 1HB CYS 11 7.754 -9.685 -3.696 74 HB3 CYS 11 2HB CYS 11 9.235 -10.434 -3.110 75 H SER 12 H SER 12 10.988 -9.215 -6.760 76 HA SER 12 HA SER 12 12.925 -11.375 -6.299 77 HB2 SER 12 1HB SER 12 13.960 -10.587 -8.350 78 HB3 SER 12 2HB SER 12 12.227 -10.570 -8.603 79 HG SER 12 HG SER 12 12.854 -8.629 -9.323 80 H LEU 13 H LEU 13 15.165 -10.916 -5.690 81 HA LEU 13 HA LEU 13 15.311 -8.807 -3.775 82 HB2 LEU 13 1HB LEU 13 17.638 -9.534 -3.404 83 HB3 LEU 13 2HB LEU 13 16.615 -10.941 -3.567 84 HG LEU 13 HG LEU 13 17.590 -10.464 -6.155 85 HD11 LEU 13 1HD1 LEU 13 19.203 -8.744 -5.181 86 HD12 LEU 13 2HD1 LEU 13 20.051 -10.151 -5.860 87 HD13 LEU 13 3HD1 LEU 13 19.848 -10.010 -4.093 88 HD21 LEU 13 3HD2 LEU 13 18.981 -12.470 -5.656 89 HD22 LEU 13 1HD2 LEU 13 17.335 -12.644 -5.000 90 HD23 LEU 13 2HD2 LEU 13 18.696 -12.245 -3.909 91 H TYR 14 H TYR 14 16.071 -9.005 -7.205 92 HA TYR 14 HA TYR 14 17.798 -6.776 -7.477 93 HB2 TYR 14 1HB TYR 14 17.238 -8.533 -9.239 94 HB3 TYR 14 2HB TYR 14 15.687 -7.726 -9.407 95 HD1 TYR 14 HD2 TYR 14 19.358 -6.883 -9.307 96 HD2 TYR 14 HD1 TYR 14 15.549 -6.178 -11.167 97 HE1 TYR 14 HE2 TYR 14 20.390 -5.189 -10.817 98 HE2 TYR 14 HE1 TYR 14 16.586 -4.597 -12.748 99 HH TYR 14 HH TYR 14 18.530 -3.370 -13.308 100 H GLN 15 H GLN 15 14.178 -7.066 -7.409 101 HA GLN 15 HA GLN 15 13.766 -4.233 -7.769 102 HB2 GLN 15 1HB GLN 15 12.129 -5.947 -8.361 103 HB3 GLN 15 2HB GLN 15 11.982 -6.408 -6.676 104 HG2 GLN 15 1HG GLN 15 11.059 -4.264 -6.052 105 HG3 GLN 15 2HG GLN 15 11.368 -3.631 -7.716 106 HE21 GLN 15 2HE2 GLN 15 9.055 -3.052 -7.471 107 HE22 GLN 15 1HE2 GLN 15 7.899 -4.280 -7.990 108 H LEU 16 H LEU 16 13.910 -6.524 -5.026 109 HA LEU 16 HA LEU 16 13.046 -4.606 -3.094 110 HB2 LEU 16 1HB LEU 16 13.271 -7.150 -2.832 111 HB3 LEU 16 2HB LEU 16 15.012 -6.848 -2.527 112 HG LEU 16 HG LEU 16 14.320 -5.435 -0.583 113 HD11 LEU 16 1HD1 LEU 16 12.123 -5.553 0.369 114 HD12 LEU 16 2HD1 LEU 16 11.506 -6.371 -1.085 115 HD13 LEU 16 3HD1 LEU 16 12.115 -4.716 -1.212 116 HD21 LEU 16 3HD2 LEU 16 13.059 -8.167 -0.378 117 HD22 LEU 16 1HD2 LEU 16 13.938 -7.253 0.851 118 HD23 LEU 16 2HD2 LEU 16 14.816 -7.945 -0.523 119 H GLU 17 H GLU 17 16.176 -5.162 -4.500 120 HA GLU 17 HA GLU 17 17.755 -3.659 -2.598 121 HB2 GLU 17 1HB GLU 17 18.103 -4.542 -5.473 122 HB3 GLU 17 2HB GLU 17 19.160 -3.259 -4.862 123 HG2 GLU 17 1HG GLU 17 18.805 -5.712 -3.225 124 HG3 GLU 17 2HG GLU 17 19.844 -5.773 -4.687 125 HE2 GLU 17 HE2 GLU 17 19.359 -3.901 -1.907 126 H ASN 18 H ASN 18 15.528 -2.550 -5.121 127 HA ASN 18 HA ASN 18 16.632 0.078 -5.404 128 HB2 ASN 18 1HB ASN 18 14.837 -1.112 -6.765 129 HB3 ASN 18 2HB ASN 18 13.680 -0.594 -5.567 130 HD21 ASN 18 2HD2 ASN 18 12.560 0.857 -7.000 131 HD22 ASN 18 1HD2 ASN 18 13.365 2.319 -7.547 132 H TYR 19 H TYR 19 14.815 -1.391 -2.827 133 HA TYR 19 HA TYR 19 13.937 1.265 -1.896 134 HB2 TYR 19 1HB TYR 19 13.530 -1.514 -0.675 135 HB3 TYR 19 2HB TYR 19 12.833 -0.031 -0.073 136 HD1 TYR 19 HD1 TYR 19 11.183 1.221 -1.671 137 HD2 TYR 19 HD2 TYR 19 12.622 -2.765 -2.337 138 HE1 TYR 19 HE1 TYR 19 9.284 0.729 -3.171 139 HE2 TYR 19 HE2 TYR 19 10.733 -3.219 -3.922 140 HH TYR 19 HH TYR 19 8.838 -2.464 -4.847 141 H CYS 20 H CYS 20 16.659 -0.708 -1.772 142 HA CYS 20 HA CYS 20 17.697 0.687 0.661 143 HB2 CYS 20 1HB CYS 20 18.298 -2.069 -0.469 144 HB3 CYS 20 2HB CYS 20 19.479 -1.235 0.546 145 H ASN 21 H ASN 21 17.396 1.761 -1.946 146 HA ASN 21 HA ASN 21 20.284 2.176 -2.729 147 HB2 ASN 21 1HB ASN 21 17.839 1.689 -4.398 148 HB3 ASN 21 2HB ASN 21 18.673 3.181 -4.854 149 HD21 ASN 21 2HD2 ASN 21 18.522 0.775 -6.479 150 HD22 ASN 21 1HD2 ASN 21 20.144 0.249 -6.713 151 HXT ASN 21 H02 ASN 21 18.055 5.178 -1.830 152 H1 PHE 31 2H0 PHE 31 17.704 -15.594 1.968 153 H2 PHE 31 1H0 PHE 31 18.750 -15.011 0.915 154 HA PHE 31 HA PHE 31 16.066 -13.762 1.445 155 HB2 PHE 31 1HB PHE 31 17.725 -12.266 0.312 156 HB3 PHE 31 2HB PHE 31 18.052 -13.526 -0.883 157 HD1 PHE 31 HD2 PHE 31 16.306 -14.065 -2.641 158 HD2 PHE 31 HD1 PHE 31 15.807 -10.978 0.251 159 HE1 PHE 31 HE2 PHE 31 14.424 -13.171 -3.950 160 HE2 PHE 31 HE1 PHE 31 13.940 -10.056 -1.044 161 HZ PHE 31 HZ PHE 31 13.227 -11.169 -3.168 162 H VAL 32 H VAL 32 14.358 -14.493 0.272 163 HA VAL 32 HA VAL 32 14.841 -16.734 -1.705 164 HB VAL 32 HB VAL 32 12.594 -17.721 -0.999 165 HG11 VAL 32 1HG1 VAL 32 14.819 -17.858 1.087 166 HG12 VAL 32 2HG1 VAL 32 13.450 -18.993 0.901 167 HG13 VAL 32 3HG1 VAL 32 14.683 -18.849 -0.390 168 HG21 VAL 32 3HG2 VAL 32 11.767 -17.278 1.259 169 HG22 VAL 32 1HG2 VAL 32 13.037 -16.042 1.529 170 HG23 VAL 32 2HG2 VAL 32 11.765 -15.773 0.293 171 H ASN 33 H ASN 33 13.617 -16.647 -3.519 172 HA ASN 33 HA ASN 33 12.109 -14.141 -4.030 173 HB2 ASN 33 1HB ASN 33 12.806 -16.623 -5.722 174 HB3 ASN 33 2HB ASN 33 11.841 -15.266 -6.320 175 HD21 ASN 33 2HD2 ASN 33 14.968 -16.543 -5.730 176 HD22 ASN 33 1HD2 ASN 33 15.888 -15.098 -6.269 177 H GLN 34 H GLN 34 10.260 -14.129 -2.884 178 HA GLN 34 HA GLN 34 8.267 -16.262 -3.449 179 HB2 GLN 34 1HB GLN 34 9.918 -16.337 -1.207 180 HB3 GLN 34 2HB GLN 34 8.430 -15.599 -0.574 181 HG2 GLN 34 1HG GLN 34 7.986 -17.905 -0.258 182 HG3 GLN 34 2HG GLN 34 7.239 -17.567 -1.832 183 HE21 GLN 34 2HE2 GLN 34 7.697 -19.091 -3.326 184 HE22 GLN 34 1HE2 GLN 34 9.128 -20.061 -3.388 185 H HIS 35 H HIS 35 6.165 -15.508 -1.919 186 HA HIS 35 HA HIS 35 5.634 -12.686 -2.692 187 HB2 HIS 35 1HB HIS 35 3.769 -14.536 -1.109 188 HB3 HIS 35 2HB HIS 35 3.386 -13.061 -1.980 189 HD1 HIS 35 HD1 HIS 35 3.932 -13.182 -4.743 190 HD2 HIS 35 HD2 HIS 35 3.355 -16.756 -2.648 191 HE1 HIS 35 HE1 HIS 35 3.373 -14.923 -6.424 192 HE2 HIS 35 HE2 HIS 35 2.943 -17.120 -5.168 193 H LEU 36 H LEU 36 7.298 -11.781 -1.281 194 HA LEU 36 HA LEU 36 7.193 -12.270 1.605 195 HB2 LEU 36 1HB LEU 36 8.618 -10.116 0.042 196 HB3 LEU 36 2HB LEU 36 8.938 -10.559 1.743 197 HG LEU 36 HG LEU 36 9.400 -12.489 -0.581 198 HD11 LEU 36 1HD1 LEU 36 11.700 -11.866 -0.607 199 HD12 LEU 36 2HD1 LEU 36 11.495 -10.645 0.635 200 HD13 LEU 36 3HD1 LEU 36 10.735 -10.474 -0.963 201 HD21 LEU 36 3HD2 LEU 36 10.635 -12.477 2.218 202 HD22 LEU 36 1HD2 LEU 36 10.804 -13.684 0.950 203 HD23 LEU 36 2HD2 LEU 36 9.242 -13.449 1.739 204 H CYS 37 H CYS 37 5.646 -11.435 2.857 205 HA CYS 37 HA CYS 37 4.527 -8.764 2.267 206 HB2 CYS 37 1HB CYS 37 3.447 -10.473 0.771 207 HB3 CYS 37 2HB CYS 37 2.924 -11.382 2.169 208 H GLY 38 H GLY 38 5.779 -8.786 4.498 209 HA2 GLY 38 1HA GLY 38 4.178 -8.417 6.621 210 HA3 GLY 38 2HA GLY 38 4.354 -10.214 6.650 211 H SER 39 H SER 39 5.707 -10.256 8.631 212 HA SER 39 HA SER 39 7.919 -8.499 8.989 213 HB2 SER 39 1HB SER 39 8.054 -11.370 9.883 214 HB3 SER 39 2HB SER 39 8.578 -9.876 10.691 215 HG SER 39 HG SER 39 6.653 -9.793 11.555 216 H HIS 40 H HIS 40 7.734 -11.425 6.949 217 HA HIS 40 HA HIS 40 10.551 -11.797 6.606 218 HB2 HIS 40 1HB HIS 40 8.097 -12.850 5.475 219 HB3 HIS 40 2HB HIS 40 9.300 -12.548 4.216 220 HD1 HIS 40 HD1 HIS 40 11.703 -13.739 4.546 221 HD2 HIS 40 HD2 HIS 40 8.559 -15.056 6.988 222 HE1 HIS 40 HE1 HIS 40 12.426 -15.996 5.618 223 HE2 HIS 40 HE2 HIS 40 10.520 -16.754 7.032 224 H LEU 41 H LEU 41 8.362 -9.453 5.127 225 HA LEU 41 HA LEU 41 10.112 -8.943 2.862 226 HB2 LEU 41 1HB LEU 41 7.673 -8.510 2.927 227 HB3 LEU 41 2HB LEU 41 7.946 -7.296 4.148 228 HG LEU 41 HG LEU 41 8.986 -7.064 1.313 229 HD11 LEU 41 1HD1 LEU 41 6.593 -7.217 1.285 230 HD12 LEU 41 2HD1 LEU 41 6.998 -5.522 1.085 231 HD13 LEU 41 3HD1 LEU 41 6.414 -6.108 2.634 232 HD21 LEU 41 3HD2 LEU 41 10.222 -5.519 2.715 233 HD22 LEU 41 1HD2 LEU 41 8.704 -4.904 3.397 234 HD23 LEU 41 2HD2 LEU 41 9.132 -4.668 1.665 235 H VAL 42 H VAL 42 9.504 -7.183 6.017 236 HA VAL 42 HA VAL 42 11.648 -5.385 5.439 237 HB VAL 42 HB VAL 42 11.585 -4.650 7.828 238 HG11 VAL 42 1HG1 VAL 42 10.042 -3.807 6.000 239 HG12 VAL 42 2HG1 VAL 42 8.764 -4.789 6.759 240 HG13 VAL 42 3HG1 VAL 42 9.568 -3.484 7.665 241 HG21 VAL 42 3HG2 VAL 42 9.402 -6.816 8.147 242 HG22 VAL 42 1HG2 VAL 42 10.991 -6.799 8.955 243 HG23 VAL 42 2HG2 VAL 42 9.793 -5.542 9.338 244 H GLU 43 H GLU 43 11.608 -8.617 6.841 245 HA GLU 43 HA GLU 43 14.237 -8.394 8.043 246 HB2 GLU 43 1HB GLU 43 12.544 -10.177 8.536 247 HB3 GLU 43 2HB GLU 43 12.778 -10.849 6.945 248 HG2 GLU 43 1HG GLU 43 15.110 -11.341 7.542 249 HG3 GLU 43 2HG GLU 43 14.767 -10.736 9.180 250 HE2 GLU 43 HE2 GLU 43 15.646 -13.168 8.827 251 H ALA 44 H ALA 44 13.099 -9.491 4.892 252 HA ALA 44 HA ALA 44 15.634 -10.182 3.735 253 HB1 ALA 44 3HB ALA 44 13.420 -10.937 2.684 254 HB2 ALA 44 1HB ALA 44 12.980 -9.237 2.381 255 HB3 ALA 44 2HB ALA 44 14.343 -9.992 1.525 256 H LEU 45 H LEU 45 13.596 -7.228 3.804 257 HA LEU 45 HA LEU 45 15.294 -5.669 2.183 258 HB2 LEU 45 1HB LEU 45 12.927 -5.165 2.812 259 HB3 LEU 45 2HB LEU 45 13.447 -4.734 4.448 260 HG LEU 45 HG LEU 45 14.733 -2.862 3.571 261 HD11 LEU 45 1HD1 LEU 45 14.550 -2.100 1.281 262 HD12 LEU 45 2HD1 LEU 45 13.553 -3.514 0.859 263 HD13 LEU 45 3HD1 LEU 45 15.279 -3.706 1.317 264 HD21 LEU 45 3HD2 LEU 45 11.812 -2.969 2.670 265 HD22 LEU 45 1HD2 LEU 45 12.732 -1.499 2.833 266 HD23 LEU 45 2HD2 LEU 45 12.392 -2.469 4.240 267 H TYR 46 H TYR 46 15.248 -6.093 5.818 268 HA TYR 46 HA TYR 46 17.488 -4.341 6.258 269 HB2 TYR 46 1HB TYR 46 16.284 -5.141 8.181 270 HB3 TYR 46 2HB TYR 46 16.506 -6.827 7.705 271 HD1 TYR 46 HD1 TYR 46 18.129 -3.839 9.278 272 HD2 TYR 46 HD2 TYR 46 18.641 -8.026 8.168 273 HE1 TYR 46 HE1 TYR 46 20.254 -3.890 10.627 274 HE2 TYR 46 HE2 TYR 46 20.636 -8.090 9.632 275 HH TYR 46 HH TYR 46 22.269 -6.744 10.803 276 H LEU 47 H LEU 47 17.403 -7.852 5.363 277 HA LEU 47 HA LEU 47 20.228 -8.168 5.623 278 HB2 LEU 47 1HB LEU 47 18.201 -9.628 3.909 279 HB3 LEU 47 2HB LEU 47 19.886 -10.104 3.942 280 HG LEU 47 HG LEU 47 18.188 -10.122 6.406 281 HD11 LEU 47 1HD1 LEU 47 17.622 -12.408 5.928 282 HD12 LEU 47 2HD1 LEU 47 18.713 -12.495 4.577 283 HD13 LEU 47 3HD1 LEU 47 17.262 -11.482 4.460 284 HD21 LEU 47 3HD2 LEU 47 20.543 -10.260 6.893 285 HD22 LEU 47 1HD2 LEU 47 20.802 -11.449 5.620 286 HD23 LEU 47 2HD2 LEU 47 19.878 -11.885 7.065 287 H VAL 48 H VAL 48 18.263 -7.106 2.748 288 HA VAL 48 HA VAL 48 20.705 -7.100 1.189 289 HB VAL 48 HB VAL 48 19.367 -6.093 -0.610 290 HG11 VAL 48 1HG1 VAL 48 17.895 -7.937 -1.079 291 HG12 VAL 48 2HG1 VAL 48 19.333 -8.548 -0.191 292 HG13 VAL 48 3HG1 VAL 48 17.771 -8.313 0.656 293 HG21 VAL 48 3HG2 VAL 48 16.940 -6.120 1.155 294 HG22 VAL 48 1HG2 VAL 48 17.891 -4.645 0.849 295 HG23 VAL 48 2HG2 VAL 48 17.082 -5.448 -0.489 296 H CYS 49 H CYS 49 19.076 -4.787 3.337 297 HA CYS 49 HA CYS 49 20.618 -2.545 2.245 298 HB2 CYS 49 1HB CYS 49 18.740 -3.049 4.473 299 HB3 CYS 49 2HB CYS 49 20.024 -1.953 4.898 300 H GLY 50 H GLY 50 21.059 -4.917 4.864 301 HA2 GLY 50 1HA GLY 50 23.365 -5.670 5.216 302 HA3 GLY 50 2HA GLY 50 23.929 -4.030 4.999 303 H GLU 51 H GLU 51 23.193 -2.399 6.784 304 HA GLU 51 HA GLU 51 23.102 -3.815 9.440 305 HB2 GLU 51 1HB GLU 51 25.251 -2.854 10.131 306 HB3 GLU 51 2HB GLU 51 25.485 -3.798 8.679 307 HG2 GLU 51 1HG GLU 51 25.222 -1.467 7.345 308 HG3 GLU 51 2HG GLU 51 25.436 -0.717 8.916 309 HE2 GLU 51 HE2 GLU 51 28.508 -2.863 7.641 310 H GLN 52 H GLN 52 21.941 -1.243 7.732 311 HA GLN 52 HA GLN 52 22.287 0.931 9.556 312 HB2 GLN 52 1HB GLN 52 20.205 0.143 7.471 313 HB3 GLN 52 2HB GLN 52 20.001 1.639 8.428 314 HG2 GLN 52 1HG GLN 52 21.742 2.704 7.480 315 HG3 GLN 52 2HG GLN 52 22.524 1.201 6.954 316 HE21 GLN 52 2HE2 GLN 52 20.276 3.700 6.094 317 HE22 GLN 52 1HE2 GLN 52 19.892 3.064 4.514 318 H GLY 53 H GLY 53 20.063 -1.791 9.521 319 HA2 GLY 53 1HA GLY 53 18.851 -2.500 11.463 320 HA3 GLY 53 2HA GLY 53 19.129 -0.939 12.228 321 H PHE 54 H PHE 54 16.602 -2.658 11.644 322 HA PHE 54 HA PHE 54 15.110 -0.466 10.238 323 HB2 PHE 54 1HB PHE 54 15.166 -3.334 9.795 324 HB3 PHE 54 2HB PHE 54 13.601 -2.581 9.721 325 HD1 PHE 54 HD2 PHE 54 17.081 -2.241 8.432 326 HD2 PHE 54 HD1 PHE 54 12.909 -1.644 7.687 327 HE1 PHE 54 HE2 PHE 54 17.592 -1.527 6.063 328 HE2 PHE 54 HE1 PHE 54 13.410 -0.828 5.395 329 HZ PHE 54 HZ PHE 54 15.752 -0.824 4.579 330 H PHE 55 H PHE 55 15.398 -2.034 13.178 331 HA PHE 55 HA PHE 55 12.744 -1.052 14.016 332 HB2 PHE 55 1HB PHE 55 13.017 -3.687 13.568 333 HB3 PHE 55 2HB PHE 55 13.793 -3.654 15.157 334 HD1 PHE 55 HD1 PHE 55 12.542 -2.925 17.153 335 HD2 PHE 55 HD2 PHE 55 10.662 -3.394 13.385 336 HE1 PHE 55 HE1 PHE 55 10.395 -2.940 18.307 337 HE2 PHE 55 HE2 PHE 55 8.409 -3.395 14.544 338 HZ PHE 55 HZ PHE 55 8.319 -3.168 17.035 339 H TYR 56 H TYR 56 12.804 -0.558 16.394 340 HA TYR 56 HA TYR 56 15.653 -0.576 17.471 341 HB2 TYR 56 1HB TYR 56 15.274 1.724 16.956 342 HB3 TYR 56 2HB TYR 56 13.589 1.654 17.483 343 HD1 TYR 56 HD1 TYR 56 16.860 0.676 19.140 344 HD2 TYR 56 HD2 TYR 56 13.191 2.924 19.372 345 HE1 TYR 56 HE1 TYR 56 17.494 1.458 21.429 346 HE2 TYR 56 HE2 TYR 56 13.801 3.647 21.688 347 HH TYR 56 HH TYR 56 15.515 3.661 23.277 348 H THR 57 H THR 57 15.675 -1.953 19.160 349 HA THR 57 HA THR 57 13.291 -1.929 20.999 350 HB THR 57 HB THR 57 14.992 -4.378 20.298 351 HG1 THR 57 HG1 THR 57 13.744 -4.773 18.736 352 HG21 THR 57 1HG2 THR 57 13.215 -5.634 21.535 353 HG22 THR 57 2HG2 THR 57 12.277 -4.154 21.722 354 HG23 THR 57 3HG2 THR 57 13.858 -4.359 22.551 355 HA PRO 58 HA PRO 58 17.057 -1.212 23.457 356 HB2 PRO 58 1HB PRO 58 15.871 -0.167 25.698 357 HB3 PRO 58 2HB PRO 58 16.107 0.835 24.177 358 HG2 PRO 58 1HG PRO 58 13.659 -0.677 25.068 359 HG3 PRO 58 2HG PRO 58 13.866 1.066 24.569 360 HD2 PRO 58 1HD PRO 58 13.003 -0.827 22.818 361 HD3 PRO 58 2HD PRO 58 14.174 0.499 22.350 362 H LYS 59 H LYS 59 17.929 -2.597 25.060 363 HA LYS 59 HA LYS 59 16.053 -4.525 26.296 364 HB2 LYS 59 1HB LYS 59 17.428 -5.196 24.108 365 HB3 LYS 59 2HB LYS 59 18.756 -5.467 25.287 366 HG2 LYS 59 1HG LYS 59 17.671 -7.616 25.057 367 HG3 LYS 59 2HG LYS 59 17.105 -6.991 26.635 368 HD2 LYS 59 1HD LYS 59 14.973 -6.250 25.522 369 HD3 LYS 59 2HD LYS 59 15.628 -6.936 23.981 370 HE2 LYS 59 1HE LYS 59 15.773 -9.118 25.043 371 HE3 LYS 59 2HE LYS 59 15.081 -8.384 26.567 372 HZ1 LYS 59 3HZ LYS 59 13.735 -8.635 23.914 373 HZ2 LYS 59 1HZ LYS 59 13.112 -7.755 25.122 374 HZ3 LYS 59 2HZ LYS 59 13.280 -9.345 25.329 375 H THR 60 H THR 60 17.232 -2.207 27.153 376 HA THR 60 HA THR 60 18.285 -1.144 28.893 377 HB THR 60 HB THR 60 18.505 -3.819 30.218 378 HG1 THR 60 HG1 THR 60 16.396 -3.671 29.875 379 HG21 THR 60 1HG2 THR 60 19.748 -1.982 31.416 380 HG22 THR 60 2HG2 THR 60 18.285 -2.415 32.342 381 HG23 THR 60 3HG2 THR 60 18.280 -0.944 31.326 382 HXT THR 60 H02 THR 60 21.585 -3.240 28.551 Start of MODEL 32 1 H1 GLY 1 2H0 GLY 1 3.373 1.037 0.755 2 H2 GLY 1 1H0 GLY 1 1.798 1.410 0.368 3 HA2 GLY 1 1HA GLY 1 2.118 0.502 -1.915 4 HA3 GLY 1 2HA GLY 1 3.524 1.562 -1.558 5 H ILE 2 H ILE 2 5.447 0.123 -0.509 6 HA ILE 2 HA ILE 2 6.036 -1.903 -2.411 7 HB ILE 2 HB ILE 2 7.794 -0.722 -1.068 8 HG12 ILE 2 1HG1 ILE 2 7.940 -3.696 -0.835 9 HG13 ILE 2 2HG1 ILE 2 8.446 -2.716 -2.254 10 HG21 ILE 2 1HG2 ILE 2 6.563 -0.878 1.147 11 HG22 ILE 2 2HG2 ILE 2 7.109 -2.584 1.265 12 HG23 ILE 2 3HG2 ILE 2 8.270 -1.255 1.214 13 HD11 ILE 2 3HD1 ILE 2 9.751 -2.785 0.527 14 HD12 ILE 2 1HD1 ILE 2 10.357 -3.592 -0.947 15 HD13 ILE 2 2HD1 ILE 2 10.322 -1.816 -0.852 16 H VAL 3 H VAL 3 4.442 -2.218 0.721 17 HA VAL 3 HA VAL 3 4.562 -5.048 0.850 18 HB VAL 3 HB VAL 3 2.388 -3.174 1.976 19 HG11 VAL 3 1HG1 VAL 3 3.410 -5.836 2.987 20 HG12 VAL 3 2HG1 VAL 3 2.183 -4.868 3.775 21 HG13 VAL 3 3HG1 VAL 3 1.848 -5.593 2.220 22 HG21 VAL 3 3HG2 VAL 3 3.743 -2.928 3.994 23 HG22 VAL 3 1HG2 VAL 3 4.987 -3.943 3.365 24 HG23 VAL 3 2HG2 VAL 3 4.699 -2.398 2.622 25 H GLU 4 H GLU 4 1.818 -2.996 -0.287 26 HA GLU 4 HA GLU 4 0.228 -5.264 -1.109 27 HB2 GLU 4 1HB GLU 4 -1.130 -3.567 -2.389 28 HB3 GLU 4 2HB GLU 4 -0.874 -3.196 -0.698 29 HG2 GLU 4 1HG GLU 4 1.021 -1.635 -1.453 30 HG3 GLU 4 2HG GLU 4 0.454 -1.901 -3.116 31 HE2 GLU 4 HE2 GLU 4 -1.931 0.085 -0.641 32 H GLN 5 H GLN 5 2.802 -3.466 -2.797 33 HA GLN 5 HA GLN 5 2.062 -4.710 -5.305 34 HB2 GLN 5 1HB GLN 5 4.491 -3.230 -4.255 35 HB3 GLN 5 2HB GLN 5 4.415 -3.922 -5.906 36 HG2 GLN 5 1HG GLN 5 2.459 -2.491 -6.379 37 HG3 GLN 5 2HG GLN 5 2.492 -1.836 -4.722 38 HE21 GLN 5 2HE2 GLN 5 2.687 0.246 -5.948 39 HE22 GLN 5 1HE2 GLN 5 4.344 0.803 -6.224 40 H CYS 6 H CYS 6 4.485 -5.399 -2.799 41 HA CYS 6 HA CYS 6 5.670 -7.584 -4.421 42 HB2 CYS 6 1HB CYS 6 6.854 -6.097 -2.720 43 HB3 CYS 6 2HB CYS 6 6.063 -7.037 -1.443 44 H CYS 7 H CYS 7 3.239 -7.488 -1.789 45 HA CYS 7 HA CYS 7 3.485 -10.190 -1.090 46 HB2 CYS 7 1HB CYS 7 1.169 -8.310 -0.857 47 HB3 CYS 7 2HB CYS 7 1.155 -9.941 -0.173 48 H THR 8 H THR 8 2.147 -8.888 -3.984 49 HA THR 8 HA THR 8 0.695 -11.430 -4.424 50 HB THR 8 HB THR 8 -0.852 -9.506 -4.336 51 HG1 THR 8 HG1 THR 8 -0.338 -10.689 -6.867 52 HG21 THR 8 1HG2 THR 8 0.645 -7.706 -5.001 53 HG22 THR 8 2HG2 THR 8 -0.754 -7.749 -6.119 54 HG23 THR 8 3HG2 THR 8 0.839 -8.415 -6.616 55 H SER 9 H SER 9 3.588 -10.005 -5.188 56 HA SER 9 HA SER 9 3.579 -11.243 -7.893 57 HB2 SER 9 1HB SER 9 4.746 -8.515 -7.265 58 HB3 SER 9 2HB SER 9 4.745 -9.324 -8.833 59 HG SER 9 HG SER 9 3.046 -7.924 -8.833 60 H ILE 10 H ILE 10 5.895 -11.664 -8.738 61 HA ILE 10 HA ILE 10 7.545 -12.496 -6.438 62 HB ILE 10 HB ILE 10 8.099 -12.613 -9.410 63 HG12 ILE 10 1HG1 ILE 10 6.161 -14.064 -8.543 64 HG13 ILE 10 2HG1 ILE 10 7.508 -14.882 -9.313 65 HG21 ILE 10 1HG2 ILE 10 9.623 -13.541 -6.946 66 HG22 ILE 10 2HG2 ILE 10 9.923 -14.240 -8.569 67 HG23 ILE 10 3HG2 ILE 10 10.211 -12.481 -8.252 68 HD11 ILE 10 3HD1 ILE 10 6.957 -16.277 -7.400 69 HD12 ILE 10 1HD1 ILE 10 8.435 -15.482 -6.972 70 HD13 ILE 10 2HD1 ILE 10 6.887 -14.902 -6.319 71 H CYS 11 H CYS 11 8.961 -11.246 -5.454 72 HA CYS 11 HA CYS 11 9.757 -8.743 -6.905 73 HB2 CYS 11 1HB CYS 11 10.079 -9.631 -3.994 74 HB3 CYS 11 2HB CYS 11 10.676 -8.084 -4.661 75 H SER 12 H SER 12 11.593 -8.582 -7.932 76 HA SER 12 HA SER 12 13.693 -10.604 -7.547 77 HB2 SER 12 1HB SER 12 14.733 -9.583 -9.477 78 HB3 SER 12 2HB SER 12 13.020 -9.768 -9.755 79 HG SER 12 HG SER 12 13.272 -7.724 -10.270 80 H LEU 13 H LEU 13 15.915 -10.045 -7.003 81 HA LEU 13 HA LEU 13 16.126 -8.124 -4.862 82 HB2 LEU 13 1HB LEU 13 18.212 -9.621 -6.509 83 HB3 LEU 13 2HB LEU 13 18.604 -8.443 -5.285 84 HG LEU 13 HG LEU 13 17.121 -11.034 -4.850 85 HD11 LEU 13 1HD1 LEU 13 19.184 -11.701 -3.659 86 HD12 LEU 13 2HD1 LEU 13 19.940 -10.166 -4.101 87 HD13 LEU 13 3HD1 LEU 13 19.490 -11.330 -5.357 88 HD21 LEU 13 3HD2 LEU 13 17.948 -8.885 -2.920 89 HD22 LEU 13 1HD2 LEU 13 17.577 -10.575 -2.459 90 HD23 LEU 13 2HD2 LEU 13 16.308 -9.539 -3.217 91 H TYR 14 H TYR 14 16.790 -8.034 -8.340 92 HA TYR 14 HA TYR 14 18.252 -5.627 -8.525 93 HB2 TYR 14 1HB TYR 14 17.581 -7.294 -10.401 94 HB3 TYR 14 2HB TYR 14 16.013 -6.448 -10.467 95 HD1 TYR 14 HD2 TYR 14 19.713 -5.832 -10.904 96 HD2 TYR 14 HD1 TYR 14 15.702 -4.482 -11.693 97 HE1 TYR 14 HE2 TYR 14 20.596 -4.092 -12.502 98 HE2 TYR 14 HE1 TYR 14 16.564 -2.739 -13.284 99 HH TYR 14 HH TYR 14 18.431 -1.783 -14.183 100 H GLN 15 H GLN 15 14.639 -6.178 -8.317 101 HA GLN 15 HA GLN 15 14.190 -3.287 -8.241 102 HB2 GLN 15 1HB GLN 15 12.600 -5.542 -8.787 103 HB3 GLN 15 2HB GLN 15 12.028 -5.056 -7.189 104 HG2 GLN 15 1HG GLN 15 10.589 -4.006 -8.756 105 HG3 GLN 15 2HG GLN 15 11.690 -2.735 -8.192 106 HE21 GLN 15 2HE2 GLN 15 12.201 -1.450 -9.846 107 HE22 GLN 15 1HE2 GLN 15 12.486 -1.953 -11.483 108 H LEU 16 H LEU 16 14.023 -5.926 -5.760 109 HA LEU 16 HA LEU 16 13.104 -4.344 -3.629 110 HB2 LEU 16 1HB LEU 16 13.447 -6.875 -3.836 111 HB3 LEU 16 2HB LEU 16 15.167 -6.566 -3.453 112 HG LEU 16 HG LEU 16 14.089 -5.454 -1.326 113 HD11 LEU 16 1HD1 LEU 16 11.768 -5.706 -2.397 114 HD12 LEU 16 2HD1 LEU 16 11.920 -6.178 -0.738 115 HD13 LEU 16 3HD1 LEU 16 11.867 -7.397 -1.972 116 HD21 LEU 16 3HD2 LEU 16 15.455 -7.478 -1.223 117 HD22 LEU 16 1HD2 LEU 16 14.046 -8.469 -1.612 118 HD23 LEU 16 2HD2 LEU 16 14.084 -7.562 -0.095 119 H GLU 17 H GLU 17 16.505 -4.740 -4.785 120 HA GLU 17 HA GLU 17 17.582 -3.426 -2.492 121 HB2 GLU 17 1HB GLU 17 18.532 -4.036 -5.280 122 HB3 GLU 17 2HB GLU 17 19.466 -2.956 -4.207 123 HG2 GLU 17 1HG GLU 17 19.606 -4.639 -2.473 124 HG3 GLU 17 2HG GLU 17 18.514 -5.724 -3.380 125 HE2 GLU 17 HE2 GLU 17 21.235 -3.867 -4.199 126 H ASN 18 H ASN 18 15.776 -2.106 -5.171 127 HA ASN 18 HA ASN 18 17.059 0.452 -5.180 128 HB2 ASN 18 1HB ASN 18 15.398 -0.586 -6.879 129 HB3 ASN 18 2HB ASN 18 14.137 0.042 -5.765 130 HD21 ASN 18 2HD2 ASN 18 16.682 0.904 -7.956 131 HD22 ASN 18 1HD2 ASN 18 16.253 2.596 -8.162 132 H TYR 19 H TYR 19 14.809 -1.135 -3.061 133 HA TYR 19 HA TYR 19 13.870 1.404 -1.912 134 HB2 TYR 19 1HB TYR 19 13.538 -1.462 -0.996 135 HB3 TYR 19 2HB TYR 19 12.803 -0.043 -0.228 136 HD1 TYR 19 HD2 TYR 19 11.013 1.227 -1.393 137 HD2 TYR 19 HD1 TYR 19 12.724 -2.348 -3.102 138 HE1 TYR 19 HE2 TYR 19 9.204 1.124 -3.048 139 HE2 TYR 19 HE1 TYR 19 10.925 -2.453 -4.739 140 HH TYR 19 HH TYR 19 8.937 -1.510 -5.441 141 H CYS 20 H CYS 20 16.720 -0.373 -1.707 142 HA CYS 20 HA CYS 20 17.133 0.250 1.218 143 HB2 CYS 20 1HB CYS 20 18.123 -1.871 0.642 144 HB3 CYS 20 2HB CYS 20 18.788 -1.257 -0.882 145 H ASN 21 H ASN 21 18.810 0.885 -1.916 146 HA ASN 21 HA ASN 21 20.219 3.191 -0.838 147 HB2 ASN 21 1HB ASN 21 21.256 3.535 -2.978 148 HB3 ASN 21 2HB ASN 21 21.117 1.752 -2.741 149 HD21 ASN 21 2HD2 ASN 21 21.058 3.698 -5.220 150 HD22 ASN 21 1HD2 ASN 21 19.854 2.965 -6.160 151 HXT ASN 21 H02 ASN 21 17.523 2.960 -2.855 152 H1 PHE 31 2H0 PHE 31 18.815 -17.331 -4.387 153 H2 PHE 31 1H0 PHE 31 19.877 -16.154 -4.111 154 HA PHE 31 HA PHE 31 18.173 -15.817 -2.040 155 HB2 PHE 31 1HB PHE 31 18.954 -14.185 -3.877 156 HB3 PHE 31 2HB PHE 31 17.732 -14.907 -4.989 157 HD1 PHE 31 HD1 PHE 31 17.797 -13.517 -1.422 158 HD2 PHE 31 HD2 PHE 31 15.740 -13.795 -5.235 159 HE1 PHE 31 HE1 PHE 31 15.953 -12.055 -0.547 160 HE2 PHE 31 HE2 PHE 31 13.880 -12.380 -4.392 161 HZ PHE 31 HZ PHE 31 13.973 -11.489 -2.055 162 H VAL 32 H VAL 32 15.941 -15.583 -1.914 163 HA VAL 32 HA VAL 32 14.442 -17.872 -3.168 164 HB VAL 32 HB VAL 32 13.716 -16.267 -0.648 165 HG11 VAL 32 1HG1 VAL 32 11.826 -17.251 -1.883 166 HG12 VAL 32 2HG1 VAL 32 12.611 -18.839 -1.809 167 HG13 VAL 32 3HG1 VAL 32 12.057 -18.057 -0.350 168 HG21 VAL 32 3HG2 VAL 32 15.016 -19.017 -0.805 169 HG22 VAL 32 1HG2 VAL 32 15.751 -17.511 -0.147 170 HG23 VAL 32 2HG2 VAL 32 14.360 -18.209 0.659 171 H ASN 33 H ASN 33 13.449 -17.170 -4.957 172 HA ASN 33 HA ASN 33 12.409 -14.450 -5.259 173 HB2 ASN 33 1HB ASN 33 11.986 -16.997 -6.891 174 HB3 ASN 33 2HB ASN 33 11.429 -15.398 -7.363 175 HD21 ASN 33 2HD2 ASN 33 13.500 -17.315 -8.496 176 HD22 ASN 33 1HD2 ASN 33 14.905 -16.337 -8.646 177 H GLN 34 H GLN 34 10.962 -13.979 -3.745 178 HA GLN 34 HA GLN 34 8.542 -15.727 -3.503 179 HB2 GLN 34 1HB GLN 34 10.638 -15.351 -1.627 180 HB3 GLN 34 2HB GLN 34 9.224 -14.451 -1.018 181 HG2 GLN 34 1HG GLN 34 9.127 -17.327 -1.899 182 HG3 GLN 34 2HG GLN 34 9.496 -16.785 -0.242 183 HE21 GLN 34 2HE2 GLN 34 7.047 -18.041 -1.880 184 HE22 GLN 34 1HE2 GLN 34 5.691 -17.246 -1.141 185 H HIS 35 H HIS 35 6.965 -14.561 -2.016 186 HA HIS 35 HA HIS 35 6.468 -11.854 -3.121 187 HB2 HIS 35 1HB HIS 35 4.653 -13.723 -1.434 188 HB3 HIS 35 2HB HIS 35 4.158 -12.232 -2.278 189 HD1 HIS 35 HD1 HIS 35 5.157 -12.511 -5.067 190 HD2 HIS 35 HD2 HIS 35 3.732 -15.810 -2.977 191 HE1 HIS 35 HE1 HIS 35 4.428 -14.175 -6.783 192 HE2 HIS 35 HE2 HIS 35 3.693 -16.219 -5.534 193 H LEU 36 H LEU 36 7.154 -13.502 -0.037 194 HA LEU 36 HA LEU 36 7.490 -12.658 2.082 195 HB2 LEU 36 1HB LEU 36 8.590 -10.324 0.525 196 HB3 LEU 36 2HB LEU 36 9.015 -10.745 2.182 197 HG LEU 36 HG LEU 36 9.706 -12.552 -0.201 198 HD11 LEU 36 1HD1 LEU 36 10.839 -10.450 -0.582 199 HD12 LEU 36 2HD1 LEU 36 12.026 -11.661 0.040 200 HD13 LEU 36 3HD1 LEU 36 11.379 -10.374 1.075 201 HD21 LEU 36 3HD2 LEU 36 10.967 -12.389 2.645 202 HD22 LEU 36 1HD2 LEU 36 11.139 -13.716 1.487 203 HD23 LEU 36 2HD2 LEU 36 9.611 -13.487 2.261 204 H CYS 37 H CYS 37 5.414 -12.310 2.966 205 HA CYS 37 HA CYS 37 4.457 -9.481 2.833 206 HB2 CYS 37 1HB CYS 37 3.137 -11.347 1.580 207 HB3 CYS 37 2HB CYS 37 2.539 -11.761 3.188 208 H GLY 38 H GLY 38 4.681 -8.523 4.759 209 HA2 GLY 38 1HA GLY 38 4.443 -8.090 6.960 210 HA3 GLY 38 2HA GLY 38 3.556 -9.619 7.167 211 H SER 39 H SER 39 5.883 -8.071 8.504 212 HA SER 39 HA SER 39 7.848 -8.467 9.679 213 HB2 SER 39 1HB SER 39 6.961 -11.339 9.526 214 HB3 SER 39 2HB SER 39 8.151 -10.648 10.676 215 HG SER 39 HG SER 39 6.446 -9.449 11.591 216 H HIS 40 H HIS 40 7.737 -11.274 7.436 217 HA HIS 40 HA HIS 40 10.555 -11.497 7.035 218 HB2 HIS 40 1HB HIS 40 8.061 -12.659 5.930 219 HB3 HIS 40 2HB HIS 40 9.465 -12.751 4.876 220 HD1 HIS 40 HD1 HIS 40 10.372 -15.047 5.101 221 HD2 HIS 40 HD2 HIS 40 9.438 -13.422 8.799 222 HE1 HIS 40 HE1 HIS 40 11.204 -16.718 6.820 223 HE2 HIS 40 HE2 HIS 40 10.581 -15.781 9.079 224 H LEU 41 H LEU 41 8.147 -9.527 5.216 225 HA LEU 41 HA LEU 41 9.837 -8.987 2.975 226 HB2 LEU 41 1HB LEU 41 7.465 -8.276 3.113 227 HB3 LEU 41 2HB LEU 41 7.879 -7.052 4.291 228 HG LEU 41 HG LEU 41 9.115 -5.716 2.728 229 HD11 LEU 41 1HD1 LEU 41 8.509 -8.007 0.779 230 HD12 LEU 41 2HD1 LEU 41 10.107 -7.307 1.247 231 HD13 LEU 41 3HD1 LEU 41 8.978 -6.359 0.234 232 HD21 LEU 41 3HD2 LEU 41 6.599 -5.519 2.894 233 HD22 LEU 41 1HD2 LEU 41 6.471 -6.555 1.462 234 HD23 LEU 41 2HD2 LEU 41 7.289 -4.965 1.338 235 H VAL 42 H VAL 42 9.464 -6.978 5.942 236 HA VAL 42 HA VAL 42 11.626 -5.345 5.148 237 HB VAL 42 HB VAL 42 11.409 -4.353 7.443 238 HG11 VAL 42 1HG1 VAL 42 8.767 -4.855 5.978 239 HG12 VAL 42 2HG1 VAL 42 9.114 -3.484 7.086 240 HG13 VAL 42 3HG1 VAL 42 9.979 -3.602 5.555 241 HG21 VAL 42 3HG2 VAL 42 9.781 -5.149 9.069 242 HG22 VAL 42 1HG2 VAL 42 9.204 -6.426 7.905 243 HG23 VAL 42 2HG2 VAL 42 10.832 -6.517 8.649 244 H GLU 43 H GLU 43 11.487 -8.337 6.944 245 HA GLU 43 HA GLU 43 14.075 -8.121 8.187 246 HB2 GLU 43 1HB GLU 43 12.442 -9.651 8.972 247 HB3 GLU 43 2HB GLU 43 12.482 -10.545 7.404 248 HG2 GLU 43 1HG GLU 43 14.921 -10.974 7.866 249 HG3 GLU 43 2HG GLU 43 14.661 -10.393 9.513 250 HE2 GLU 43 HE2 GLU 43 15.164 -12.288 10.288 251 H ALA 44 H ALA 44 13.025 -9.624 5.130 252 HA ALA 44 HA ALA 44 15.622 -10.433 4.194 253 HB1 ALA 44 3HB ALA 44 13.280 -11.095 3.351 254 HB2 ALA 44 1HB ALA 44 13.283 -9.557 2.460 255 HB3 ALA 44 2HB ALA 44 14.485 -10.796 2.105 256 H LEU 45 H LEU 45 13.682 -7.406 3.542 257 HA LEU 45 HA LEU 45 15.665 -6.136 1.918 258 HB2 LEU 45 1HB LEU 45 13.153 -5.519 2.806 259 HB3 LEU 45 2HB LEU 45 14.094 -4.376 3.779 260 HG LEU 45 HG LEU 45 14.250 -4.655 0.741 261 HD11 LEU 45 1HD1 LEU 45 11.967 -4.101 1.609 262 HD12 LEU 45 2HD1 LEU 45 12.691 -2.893 0.543 263 HD13 LEU 45 3HD1 LEU 45 12.641 -2.606 2.259 264 HD21 LEU 45 3HD2 LEU 45 16.153 -3.455 1.433 265 HD22 LEU 45 1HD2 LEU 45 15.247 -2.550 2.677 266 HD23 LEU 45 2HD2 LEU 45 14.966 -2.219 0.955 267 H TYR 46 H TYR 46 15.308 -6.088 5.538 268 HA TYR 46 HA TYR 46 17.430 -4.220 6.063 269 HB2 TYR 46 1HB TYR 46 15.911 -4.901 7.862 270 HB3 TYR 46 2HB TYR 46 16.340 -6.617 7.647 271 HD1 TYR 46 HD2 TYR 46 17.564 -3.351 8.834 272 HD2 TYR 46 HD1 TYR 46 18.274 -7.540 8.643 273 HE1 TYR 46 HE2 TYR 46 19.374 -3.089 10.528 274 HE2 TYR 46 HE1 TYR 46 20.050 -7.359 10.389 275 HH TYR 46 HH TYR 46 21.152 -5.805 11.891 276 H LEU 47 H LEU 47 17.393 -7.800 5.737 277 HA LEU 47 HA LEU 47 20.150 -8.156 6.452 278 HB2 LEU 47 1HB LEU 47 18.082 -9.742 4.907 279 HB3 LEU 47 2HB LEU 47 19.744 -10.328 5.048 280 HG LEU 47 HG LEU 47 17.895 -9.696 7.432 281 HD11 LEU 47 1HD1 LEU 47 16.834 -11.368 6.103 282 HD12 LEU 47 2HD1 LEU 47 17.613 -12.240 7.395 283 HD13 LEU 47 3HD1 LEU 47 18.365 -12.211 5.835 284 HD21 LEU 47 3HD2 LEU 47 20.363 -9.841 7.953 285 HD22 LEU 47 1HD2 LEU 47 20.355 -11.490 7.330 286 HD23 LEU 47 2HD2 LEU 47 19.405 -11.098 8.747 287 H VAL 48 H VAL 48 18.544 -7.809 3.132 288 HA VAL 48 HA VAL 48 21.096 -8.188 1.728 289 HB VAL 48 HB VAL 48 18.752 -8.574 0.756 290 HG11 VAL 48 1HG1 VAL 48 18.768 -5.623 0.294 291 HG12 VAL 48 2HG1 VAL 48 17.583 -6.796 -0.342 292 HG13 VAL 48 3HG1 VAL 48 17.697 -6.499 1.402 293 HG21 VAL 48 3HG2 VAL 48 19.337 -7.831 -1.573 294 HG22 VAL 48 1HG2 VAL 48 20.744 -6.938 -0.911 295 HG23 VAL 48 2HG2 VAL 48 20.630 -8.737 -0.731 296 H CYS 49 H CYS 49 19.353 -5.355 3.099 297 HA CYS 49 HA CYS 49 21.034 -3.413 1.655 298 HB2 CYS 49 1HB CYS 49 18.679 -3.063 2.515 299 HB3 CYS 49 2HB CYS 49 19.280 -2.994 4.166 300 H GLY 50 H GLY 50 21.215 -4.998 4.782 301 HA2 GLY 50 1HA GLY 50 23.114 -5.141 6.154 302 HA3 GLY 50 2HA GLY 50 23.958 -4.135 5.028 303 H GLU 51 H GLU 51 21.242 -3.939 7.266 304 HA GLU 51 HA GLU 51 20.488 -2.390 8.722 305 HB2 GLU 51 1HB GLU 51 23.203 -1.054 8.660 306 HB3 GLU 51 2HB GLU 51 21.899 -0.934 9.889 307 HG2 GLU 51 1HG GLU 51 22.230 -3.501 10.130 308 HG3 GLU 51 2HG GLU 51 23.717 -3.265 9.198 309 HE2 GLU 51 HE2 GLU 51 25.009 -3.062 12.314 310 H GLN 52 H GLN 52 21.672 0.447 8.559 311 HA GLN 52 HA GLN 52 21.058 2.386 7.549 312 HB2 GLN 52 1HB GLN 52 20.936 0.840 4.950 313 HB3 GLN 52 2HB GLN 52 21.093 2.550 5.111 314 HG2 GLN 52 1HG GLN 52 23.289 2.237 6.347 315 HG3 GLN 52 2HG GLN 52 23.113 0.525 6.033 316 HE21 GLN 52 2HE2 GLN 52 24.357 3.406 4.870 317 HE22 GLN 52 1HE2 GLN 52 24.710 2.983 3.219 318 H GLY 53 H GLY 53 18.967 0.305 8.374 319 HA2 GLY 53 1HA GLY 53 16.773 1.966 8.175 320 HA3 GLY 53 2HA GLY 53 16.567 0.831 6.839 321 H PHE 54 H PHE 54 14.713 0.774 8.765 322 HA PHE 54 HA PHE 54 13.666 -0.596 10.246 323 HB2 PHE 54 1HB PHE 54 15.532 -2.730 9.365 324 HB3 PHE 54 2HB PHE 54 13.836 -2.876 9.872 325 HD1 PHE 54 HD1 PHE 54 12.136 -1.593 8.485 326 HD2 PHE 54 HD2 PHE 54 16.035 -2.631 7.063 327 HE1 PHE 54 HE1 PHE 54 11.374 -1.353 6.123 328 HE2 PHE 54 HE2 PHE 54 15.263 -2.419 4.725 329 HZ PHE 54 HZ PHE 54 12.998 -1.749 4.242 330 H PHE 55 H PHE 55 13.565 -0.643 12.336 331 HA PHE 55 HA PHE 55 15.937 -0.346 13.978 332 HB2 PHE 55 1HB PHE 55 13.659 0.688 14.368 333 HB3 PHE 55 2HB PHE 55 13.094 -0.878 14.941 334 HD1 PHE 55 HD2 PHE 55 15.227 1.997 15.607 335 HD2 PHE 55 HD1 PHE 55 13.910 -1.758 17.006 336 HE1 PHE 55 HE2 PHE 55 16.133 2.569 17.906 337 HE2 PHE 55 HE1 PHE 55 14.854 -1.221 19.320 338 HZ PHE 55 HZ PHE 55 15.944 0.892 19.767 339 H TYR 56 H TYR 56 17.135 -1.863 14.970 340 HA TYR 56 HA TYR 56 15.957 -4.585 15.271 341 HB2 TYR 56 1HB TYR 56 17.100 -4.608 13.132 342 HB3 TYR 56 2HB TYR 56 18.513 -3.805 13.817 343 HD1 TYR 56 HD2 TYR 56 16.441 -6.837 14.598 344 HD2 TYR 56 HD1 TYR 56 20.331 -5.196 14.044 345 HE1 TYR 56 HE2 TYR 56 17.441 -9.062 15.202 346 HE2 TYR 56 HE1 TYR 56 21.364 -7.455 14.480 347 HH TYR 56 HH TYR 56 20.901 -9.654 15.024 348 H THR 57 H THR 57 16.448 -5.378 17.338 349 HA THR 57 HA THR 57 18.840 -4.393 18.662 350 HB THR 57 HB THR 57 17.364 -2.777 19.536 351 HG1 THR 57 HG1 THR 57 16.804 -4.785 21.416 352 HG21 THR 57 1HG2 THR 57 15.236 -3.571 18.677 353 HG22 THR 57 2HG2 THR 57 15.096 -3.323 20.420 354 HG23 THR 57 3HG2 THR 57 15.272 -4.965 19.772 355 HA PRO 58 HA PRO 58 18.266 -8.928 19.351 356 HB2 PRO 58 1HB PRO 58 20.929 -9.556 19.412 357 HB3 PRO 58 2HB PRO 58 20.020 -9.393 17.897 358 HG2 PRO 58 1HG PRO 58 21.811 -7.356 19.221 359 HG3 PRO 58 2HG PRO 58 21.710 -7.827 17.480 360 HD2 PRO 58 1HD PRO 58 20.524 -5.576 18.405 361 HD3 PRO 58 2HD PRO 58 19.867 -6.562 17.063 362 H LYS 59 H LYS 59 18.370 -9.925 21.271 363 HA LYS 59 HA LYS 59 19.981 -8.711 23.496 364 HB2 LYS 59 1HB LYS 59 18.095 -8.605 24.988 365 HB3 LYS 59 2HB LYS 59 17.872 -7.625 23.526 366 HG2 LYS 59 1HG LYS 59 16.295 -9.406 22.655 367 HG3 LYS 59 2HG LYS 59 16.648 -10.349 24.129 368 HD2 LYS 59 1HD LYS 59 15.684 -8.612 25.536 369 HD3 LYS 59 2HD LYS 59 15.449 -7.550 24.167 370 HE2 LYS 59 1HE LYS 59 13.334 -8.543 24.754 371 HE3 LYS 59 2HE LYS 59 13.872 -9.151 23.182 372 HZ1 LYS 59 3HZ LYS 59 14.551 -11.141 24.069 373 HZ2 LYS 59 1HZ LYS 59 13.082 -10.915 24.696 374 HZ3 LYS 59 2HZ LYS 59 14.451 -10.724 25.636 375 H THR 60 H THR 60 19.586 -11.450 21.949 376 HA THR 60 HA THR 60 18.923 -13.266 24.243 377 HB THR 60 HB THR 60 19.913 -14.250 21.553 378 HG1 THR 60 HG1 THR 60 17.620 -14.602 21.213 379 HG21 THR 60 1HG2 THR 60 18.645 -16.262 22.183 380 HG22 THR 60 2HG2 THR 60 18.208 -15.533 23.711 381 HG23 THR 60 3HG2 THR 60 19.952 -15.959 23.372 382 HXT THR 60 H02 THR 60 22.684 -13.745 23.433 Start of MODEL 33 1 H1 GLY 1 2H0 GLY 1 2.574 0.962 -2.893 2 H2 GLY 1 1H0 GLY 1 2.958 2.502 -2.528 3 HA2 GLY 1 1HA GLY 1 4.863 1.825 -1.255 4 HA3 GLY 1 2HA GLY 1 3.343 1.086 -0.701 5 H ILE 2 H ILE 2 6.316 0.398 -0.568 6 HA ILE 2 HA ILE 2 6.864 -1.778 -2.316 7 HB ILE 2 HB ILE 2 8.676 -0.711 -1.018 8 HG12 ILE 2 1HG1 ILE 2 8.450 -3.639 -0.283 9 HG13 ILE 2 2HG1 ILE 2 8.968 -3.016 -1.867 10 HG21 ILE 2 1HG2 ILE 2 8.979 -0.938 1.402 11 HG22 ILE 2 2HG2 ILE 2 7.370 -0.365 1.222 12 HG23 ILE 2 3HG2 ILE 2 7.651 -2.079 1.559 13 HD11 ILE 2 3HD1 ILE 2 10.911 -3.630 -0.673 14 HD12 ILE 2 1HD1 ILE 2 10.881 -1.897 -0.657 15 HD13 ILE 2 2HD1 ILE 2 10.428 -2.819 0.795 16 H VAL 3 H VAL 3 5.130 -1.683 0.768 17 HA VAL 3 HA VAL 3 5.309 -4.472 1.120 18 HB VAL 3 HB VAL 3 3.133 -2.623 2.203 19 HG11 VAL 3 1HG1 VAL 3 2.811 -4.490 3.917 20 HG12 VAL 3 2HG1 VAL 3 2.401 -4.988 2.317 21 HG13 VAL 3 3HG1 VAL 3 3.939 -5.492 3.014 22 HG21 VAL 3 3HG2 VAL 3 5.158 -1.777 3.061 23 HG22 VAL 3 1HG2 VAL 3 4.589 -2.921 4.356 24 HG23 VAL 3 2HG2 VAL 3 5.921 -3.393 3.206 25 H GLU 4 H GLU 4 2.593 -2.465 -0.013 26 HA GLU 4 HA GLU 4 0.976 -4.697 -0.738 27 HB2 GLU 4 1HB GLU 4 -0.446 -3.120 -1.838 28 HB3 GLU 4 2HB GLU 4 0.071 -2.363 -0.328 29 HG2 GLU 4 1HG GLU 4 1.806 -1.091 -1.579 30 HG3 GLU 4 2HG GLU 4 1.213 -1.829 -3.053 31 HE2 GLU 4 HE2 GLU 4 -0.929 -1.420 -3.522 32 H GLN 5 H GLN 5 3.608 -3.074 -2.481 33 HA GLN 5 HA GLN 5 2.962 -4.262 -5.039 34 HB2 GLN 5 1HB GLN 5 4.507 -2.305 -4.639 35 HB3 GLN 5 2HB GLN 5 5.678 -3.421 -3.994 36 HG2 GLN 5 1HG GLN 5 4.666 -3.919 -6.768 37 HG3 GLN 5 2HG GLN 5 5.784 -2.590 -6.495 38 HE21 GLN 5 2HE2 GLN 5 7.688 -3.329 -4.939 39 HE22 GLN 5 1HE2 GLN 5 8.455 -4.784 -5.402 40 H CYS 6 H CYS 6 5.346 -5.277 -2.426 41 HA CYS 6 HA CYS 6 6.054 -7.677 -3.813 42 HB2 CYS 6 1HB CYS 6 6.369 -6.669 -0.967 43 HB3 CYS 6 2HB CYS 6 6.872 -8.275 -1.458 44 H CYS 7 H CYS 7 3.404 -6.945 -1.612 45 HA CYS 7 HA CYS 7 2.799 -9.691 -1.051 46 HB2 CYS 7 1HB CYS 7 2.289 -7.474 0.194 47 HB3 CYS 7 2HB CYS 7 0.847 -7.386 -0.813 48 H THR 8 H THR 8 2.253 -7.712 -3.859 49 HA THR 8 HA THR 8 0.126 -9.656 -4.799 50 HB THR 8 HB THR 8 -0.642 -7.706 -6.279 51 HG1 THR 8 HG1 THR 8 0.717 -5.977 -4.529 52 HG21 THR 8 1HG2 THR 8 -1.578 -8.386 -3.932 53 HG22 THR 8 2HG2 THR 8 -2.039 -6.802 -4.593 54 HG23 THR 8 3HG2 THR 8 -0.750 -6.914 -3.345 55 H SER 9 H SER 9 3.223 -8.109 -5.458 56 HA SER 9 HA SER 9 3.346 -9.741 -7.987 57 HB2 SER 9 1HB SER 9 4.462 -6.934 -7.544 58 HB3 SER 9 2HB SER 9 4.757 -7.997 -8.975 59 HG SER 9 HG SER 9 2.624 -6.431 -8.373 60 H ILE 10 H ILE 10 5.634 -10.426 -8.559 61 HA ILE 10 HA ILE 10 6.955 -11.263 -6.085 62 HB ILE 10 HB ILE 10 7.680 -11.647 -9.056 63 HG12 ILE 10 1HG1 ILE 10 5.500 -12.852 -8.305 64 HG13 ILE 10 2HG1 ILE 10 6.833 -13.899 -8.844 65 HG21 ILE 10 1HG2 ILE 10 9.737 -11.885 -7.629 66 HG22 ILE 10 2HG2 ILE 10 8.824 -12.896 -6.473 67 HG23 ILE 10 3HG2 ILE 10 9.176 -13.530 -8.118 68 HD11 ILE 10 3HD1 ILE 10 5.542 -14.696 -6.807 69 HD12 ILE 10 1HD1 ILE 10 7.283 -14.625 -6.551 70 HD13 ILE 10 2HD1 ILE 10 6.238 -13.358 -5.901 71 H CYS 11 H CYS 11 8.623 -10.105 -5.174 72 HA CYS 11 HA CYS 11 9.994 -8.101 -6.934 73 HB2 CYS 11 1HB CYS 11 10.538 -6.873 -4.826 74 HB3 CYS 11 2HB CYS 11 8.815 -6.905 -5.290 75 H SER 12 H SER 12 11.456 -9.708 -7.650 76 HA SER 12 HA SER 12 13.002 -11.373 -5.942 77 HB2 SER 12 1HB SER 12 13.730 -10.191 -8.647 78 HB3 SER 12 2HB SER 12 14.547 -11.587 -7.850 79 HG SER 12 HG SER 12 12.908 -12.825 -8.195 80 H LEU 13 H LEU 13 15.456 -11.091 -5.684 81 HA LEU 13 HA LEU 13 16.093 -8.737 -4.342 82 HB2 LEU 13 1HB LEU 13 17.268 -10.946 -4.333 83 HB3 LEU 13 2HB LEU 13 18.046 -10.449 -5.837 84 HG LEU 13 HG LEU 13 18.417 -8.445 -3.742 85 HD11 LEU 13 1HD1 LEU 13 18.364 -10.403 -2.241 86 HD12 LEU 13 2HD1 LEU 13 20.035 -9.766 -2.392 87 HD13 LEU 13 3HD1 LEU 13 19.567 -11.227 -3.284 88 HD21 LEU 13 3HD2 LEU 13 20.233 -10.174 -5.506 89 HD22 LEU 13 1HD2 LEU 13 20.824 -8.846 -4.477 90 HD23 LEU 13 2HD2 LEU 13 19.738 -8.544 -5.854 91 H TYR 14 H TYR 14 16.434 -9.430 -7.813 92 HA TYR 14 HA TYR 14 17.942 -7.185 -8.640 93 HB2 TYR 14 1HB TYR 14 17.066 -9.167 -9.977 94 HB3 TYR 14 2HB TYR 14 15.504 -8.368 -9.931 95 HD1 TYR 14 HD1 TYR 14 18.899 -8.138 -11.428 96 HD2 TYR 14 HD2 TYR 14 14.918 -6.541 -11.335 97 HE1 TYR 14 HE1 TYR 14 19.356 -6.901 -13.593 98 HE2 TYR 14 HE2 TYR 14 15.375 -5.317 -13.437 99 HH TYR 14 HH TYR 14 16.828 -4.713 -14.954 100 H GLN 15 H GLN 15 14.507 -7.374 -7.719 101 HA GLN 15 HA GLN 15 14.012 -4.645 -8.555 102 HB2 GLN 15 1HB GLN 15 12.336 -6.469 -8.776 103 HB3 GLN 15 2HB GLN 15 12.315 -6.632 -6.990 104 HG2 GLN 15 1HG GLN 15 10.353 -5.478 -7.570 105 HG3 GLN 15 2HG GLN 15 11.467 -4.370 -6.774 106 HE21 GLN 15 2HE2 GLN 15 9.378 -4.834 -9.370 107 HE22 GLN 15 1HE2 GLN 15 9.931 -3.480 -10.422 108 H LEU 16 H LEU 16 14.322 -6.567 -5.648 109 HA LEU 16 HA LEU 16 13.644 -4.623 -3.718 110 HB2 LEU 16 1HB LEU 16 13.994 -7.164 -3.636 111 HB3 LEU 16 2HB LEU 16 15.678 -6.826 -3.380 112 HG LEU 16 HG LEU 16 15.053 -5.616 -1.266 113 HD11 LEU 16 1HD1 LEU 16 12.646 -5.042 -1.863 114 HD12 LEU 16 2HD1 LEU 16 12.815 -5.861 -0.295 115 HD13 LEU 16 3HD1 LEU 16 12.235 -6.784 -1.712 116 HD21 LEU 16 3HD2 LEU 16 13.888 -8.470 -1.424 117 HD22 LEU 16 1HD2 LEU 16 14.608 -7.688 0.000 118 HD23 LEU 16 2HD2 LEU 16 15.623 -8.168 -1.405 119 H GLU 17 H GLU 17 16.680 -5.192 -5.425 120 HA GLU 17 HA GLU 17 18.317 -3.633 -3.742 121 HB2 GLU 17 1HB GLU 17 18.500 -4.694 -6.479 122 HB3 GLU 17 2HB GLU 17 19.597 -3.366 -6.053 123 HG2 GLU 17 1HG GLU 17 20.295 -4.648 -4.045 124 HG3 GLU 17 2HG GLU 17 19.384 -6.022 -4.671 125 HE2 GLU 17 HE2 GLU 17 21.892 -6.126 -4.209 126 H ASN 18 H ASN 18 15.967 -2.502 -6.074 127 HA ASN 18 HA ASN 18 16.951 0.093 -6.577 128 HB2 ASN 18 1HB ASN 18 14.937 -1.128 -7.541 129 HB3 ASN 18 2HB ASN 18 14.049 -0.706 -6.051 130 HD21 ASN 18 2HD2 ASN 18 15.049 0.220 -9.106 131 HD22 ASN 18 1HD2 ASN 18 14.405 1.816 -9.099 132 H TYR 19 H TYR 19 15.531 -1.374 -3.695 133 HA TYR 19 HA TYR 19 15.001 1.130 -2.431 134 HB2 TYR 19 1HB TYR 19 14.941 -1.705 -1.405 135 HB3 TYR 19 2HB TYR 19 14.313 -0.340 -0.497 136 HD1 TYR 19 HD2 TYR 19 12.511 1.175 -1.762 137 HD2 TYR 19 HD1 TYR 19 13.450 -2.875 -2.831 138 HE1 TYR 19 HE2 TYR 19 10.353 0.926 -2.967 139 HE2 TYR 19 HE1 TYR 19 11.340 -3.089 -4.112 140 HH TYR 19 HH TYR 19 9.137 -0.408 -4.507 141 H CYS 20 H CYS 20 17.894 -0.332 -3.042 142 HA CYS 20 HA CYS 20 19.271 0.545 -0.508 143 HB2 CYS 20 1HB CYS 20 20.064 -0.782 -3.099 144 HB3 CYS 20 2HB CYS 20 21.252 0.005 -2.095 145 H ASN 21 H ASN 21 17.936 1.973 -3.111 146 HA ASN 21 HA ASN 21 17.896 4.012 -4.162 147 HB2 ASN 21 1HB ASN 21 18.211 4.727 -1.674 148 HB3 ASN 21 2HB ASN 21 19.886 5.041 -2.056 149 HD21 ASN 21 2HD2 ASN 21 17.186 6.653 -1.603 150 HD22 ASN 21 1HD2 ASN 21 17.351 7.908 -2.783 151 HXT ASN 21 H02 ASN 21 20.417 3.638 -6.258 152 H1 PHE 31 2H0 PHE 31 19.834 -15.586 -2.967 153 H2 PHE 31 1H0 PHE 31 19.320 -16.994 -3.626 154 HA PHE 31 HA PHE 31 17.629 -15.507 -2.399 155 HB2 PHE 31 1HB PHE 31 18.596 -13.569 -3.647 156 HB3 PHE 31 2HB PHE 31 17.784 -14.098 -5.101 157 HD1 PHE 31 HD1 PHE 31 15.253 -14.025 -5.191 158 HD2 PHE 31 HD2 PHE 31 17.450 -12.412 -1.899 159 HE1 PHE 31 HE1 PHE 31 13.305 -12.705 -4.536 160 HE2 PHE 31 HE2 PHE 31 15.498 -11.087 -1.246 161 HZ PHE 31 HZ PHE 31 13.373 -11.224 -2.554 162 H VAL 32 H VAL 32 15.492 -15.879 -2.494 163 HA VAL 32 HA VAL 32 14.654 -17.868 -4.581 164 HB VAL 32 HB VAL 32 14.624 -18.924 -2.340 165 HG11 VAL 32 1HG1 VAL 32 14.615 -16.985 -0.825 166 HG12 VAL 32 2HG1 VAL 32 13.019 -16.461 -1.396 167 HG13 VAL 32 3HG1 VAL 32 13.104 -17.905 -0.467 168 HG21 VAL 32 3HG2 VAL 32 11.778 -18.167 -3.188 169 HG22 VAL 32 1HG2 VAL 32 12.695 -19.583 -3.721 170 HG23 VAL 32 2HG2 VAL 32 12.171 -19.460 -2.056 171 H ASN 33 H ASN 33 13.015 -17.199 -5.921 172 HA ASN 33 HA ASN 33 12.001 -14.498 -5.599 173 HB2 ASN 33 1HB ASN 33 11.481 -16.692 -7.628 174 HB3 ASN 33 2HB ASN 33 10.657 -15.100 -7.633 175 HD21 ASN 33 2HD2 ASN 33 12.131 -16.057 -9.772 176 HD22 ASN 33 1HD2 ASN 33 13.507 -15.032 -9.959 177 H GLN 34 H GLN 34 10.573 -14.379 -3.878 178 HA GLN 34 HA GLN 34 8.034 -15.860 -4.107 179 HB2 GLN 34 1HB GLN 34 8.007 -16.359 -1.780 180 HB3 GLN 34 2HB GLN 34 9.527 -16.932 -2.353 181 HG2 GLN 34 1HG GLN 34 10.686 -14.846 -1.447 182 HG3 GLN 34 2HG GLN 34 9.156 -14.318 -0.812 183 HE21 GLN 34 2HE2 GLN 34 10.676 -17.565 -0.708 184 HE22 GLN 34 1HE2 GLN 34 10.741 -17.642 1.039 185 H HIS 35 H HIS 35 6.255 -14.848 -2.779 186 HA HIS 35 HA HIS 35 6.333 -11.968 -3.022 187 HB2 HIS 35 1HB HIS 35 4.207 -13.888 -1.943 188 HB3 HIS 35 2HB HIS 35 4.053 -12.142 -1.868 189 HD1 HIS 35 HD1 HIS 35 4.395 -10.908 -4.442 190 HD2 HIS 35 HD2 HIS 35 3.146 -14.939 -4.224 191 HE1 HIS 35 HE1 HIS 35 3.163 -11.469 -6.661 192 HE2 HIS 35 HE2 HIS 35 2.420 -13.916 -6.483 193 H LEU 36 H LEU 36 6.180 -10.570 -1.258 194 HA LEU 36 HA LEU 36 6.960 -11.642 1.426 195 HB2 LEU 36 1HB LEU 36 8.171 -9.323 -0.120 196 HB3 LEU 36 2HB LEU 36 8.466 -9.629 1.605 197 HG LEU 36 HG LEU 36 9.263 -11.524 -0.621 198 HD11 LEU 36 1HD1 LEU 36 10.558 -9.515 -0.887 199 HD12 LEU 36 2HD1 LEU 36 11.575 -10.725 -0.142 200 HD13 LEU 36 3HD1 LEU 36 10.891 -9.473 0.878 201 HD21 LEU 36 3HD2 LEU 36 10.113 -11.478 2.285 202 HD22 LEU 36 1HD2 LEU 36 10.601 -12.648 1.042 203 HD23 LEU 36 2HD2 LEU 36 8.925 -12.669 1.567 204 H CYS 37 H CYS 37 5.897 -10.581 3.068 205 HA CYS 37 HA CYS 37 4.325 -8.161 2.433 206 HB2 CYS 37 1HB CYS 37 2.976 -10.414 1.907 207 HB3 CYS 37 2HB CYS 37 2.799 -10.487 3.646 208 H GLY 38 H GLY 38 4.771 -10.729 4.952 209 HA2 GLY 38 1HA GLY 38 4.168 -8.698 7.042 210 HA3 GLY 38 2HA GLY 38 4.365 -10.435 7.277 211 H SER 39 H SER 39 5.948 -10.622 8.812 212 HA SER 39 HA SER 39 8.082 -8.803 9.026 213 HB2 SER 39 1HB SER 39 8.034 -11.686 9.944 214 HB3 SER 39 2HB SER 39 9.095 -10.421 10.560 215 HG SER 39 HG SER 39 7.422 -9.403 11.464 216 H HIS 40 H HIS 40 7.777 -11.706 7.042 217 HA HIS 40 HA HIS 40 10.522 -12.240 6.520 218 HB2 HIS 40 1HB HIS 40 7.967 -12.923 5.288 219 HB3 HIS 40 2HB HIS 40 9.131 -12.566 4.045 220 HD1 HIS 40 HD1 HIS 40 9.630 -14.914 3.270 221 HD2 HIS 40 HD2 HIS 40 9.948 -14.565 7.388 222 HE1 HIS 40 HE1 HIS 40 10.448 -17.154 4.074 223 HE2 HIS 40 HE2 HIS 40 10.642 -16.948 6.622 224 H LEU 41 H LEU 41 8.345 -9.729 5.083 225 HA LEU 41 HA LEU 41 10.125 -8.921 3.023 226 HB2 LEU 41 1HB LEU 41 7.698 -8.345 3.102 227 HB3 LEU 41 2HB LEU 41 7.951 -7.404 4.601 228 HG LEU 41 HG LEU 41 9.137 -5.702 3.498 229 HD11 LEU 41 1HD1 LEU 41 10.470 -6.778 1.828 230 HD12 LEU 41 2HD1 LEU 41 9.419 -5.571 1.038 231 HD13 LEU 41 3HD1 LEU 41 9.002 -7.283 0.926 232 HD21 LEU 41 3HD2 LEU 41 7.265 -5.088 1.898 233 HD22 LEU 41 1HD2 LEU 41 6.784 -5.543 3.515 234 HD23 LEU 41 2HD2 LEU 41 6.602 -6.673 2.177 235 H VAL 42 H VAL 42 9.468 -7.479 6.268 236 HA VAL 42 HA VAL 42 11.567 -5.524 5.819 237 HB VAL 42 HB VAL 42 11.381 -4.955 8.203 238 HG11 VAL 42 1HG1 VAL 42 9.042 -4.150 8.068 239 HG12 VAL 42 2HG1 VAL 42 9.934 -3.905 6.557 240 HG13 VAL 42 3HG1 VAL 42 8.760 -5.239 6.694 241 HG21 VAL 42 3HG2 VAL 42 9.490 -5.987 9.502 242 HG22 VAL 42 1HG2 VAL 42 9.404 -7.254 8.236 243 HG23 VAL 42 2HG2 VAL 42 10.883 -7.091 9.222 244 H GLU 43 H GLU 43 11.623 -8.733 7.287 245 HA GLU 43 HA GLU 43 14.355 -8.482 8.251 246 HB2 GLU 43 1HB GLU 43 12.515 -10.156 8.809 247 HB3 GLU 43 2HB GLU 43 12.979 -10.997 7.303 248 HG2 GLU 43 1HG GLU 43 15.263 -11.339 8.129 249 HG3 GLU 43 2HG GLU 43 14.831 -10.555 9.681 250 HE2 GLU 43 HE2 GLU 43 12.819 -11.390 10.456 251 H ALA 44 H ALA 44 13.142 -9.783 5.017 252 HA ALA 44 HA ALA 44 15.782 -10.303 4.123 253 HB1 ALA 44 3HB ALA 44 13.388 -9.666 2.297 254 HB2 ALA 44 1HB ALA 44 14.824 -10.601 1.899 255 HB3 ALA 44 2HB ALA 44 13.630 -11.255 3.035 256 H LEU 45 H LEU 45 13.591 -7.495 3.827 257 HA LEU 45 HA LEU 45 15.185 -5.871 2.150 258 HB2 LEU 45 1HB LEU 45 12.915 -5.568 2.755 259 HB3 LEU 45 2HB LEU 45 13.365 -5.162 4.404 260 HG LEU 45 HG LEU 45 14.580 -3.197 3.590 261 HD11 LEU 45 1HD1 LEU 45 13.494 -4.047 0.893 262 HD12 LEU 45 2HD1 LEU 45 15.188 -3.769 1.321 263 HD13 LEU 45 3HD1 LEU 45 14.052 -2.398 1.184 264 HD21 LEU 45 3HD2 LEU 45 11.740 -3.361 2.712 265 HD22 LEU 45 1HD2 LEU 45 12.641 -1.885 3.136 266 HD23 LEU 45 2HD2 LEU 45 12.292 -3.099 4.385 267 H TYR 46 H TYR 46 15.191 -6.283 5.757 268 HA TYR 46 HA TYR 46 17.049 -4.174 6.268 269 HB2 TYR 46 1HB TYR 46 15.785 -5.137 8.110 270 HB3 TYR 46 2HB TYR 46 16.530 -6.733 7.827 271 HD1 TYR 46 HD1 TYR 46 17.607 -3.154 8.485 272 HD2 TYR 46 HD2 TYR 46 18.426 -7.352 9.070 273 HE1 TYR 46 HE1 TYR 46 19.636 -2.535 9.803 274 HE2 TYR 46 HE2 TYR 46 20.413 -6.716 10.524 275 HH TYR 46 HH TYR 46 21.446 -3.306 11.032 276 H LEU 47 H LEU 47 17.408 -7.678 5.702 277 HA LEU 47 HA LEU 47 20.224 -7.655 6.058 278 HB2 LEU 47 1HB LEU 47 18.473 -9.408 4.314 279 HB3 LEU 47 2HB LEU 47 20.208 -9.725 4.551 280 HG LEU 47 HG LEU 47 18.236 -9.633 6.854 281 HD11 LEU 47 1HD1 LEU 47 19.096 -11.954 5.030 282 HD12 LEU 47 2HD1 LEU 47 17.432 -11.426 5.377 283 HD13 LEU 47 3HD1 LEU 47 18.399 -12.225 6.634 284 HD21 LEU 47 3HD2 LEU 47 20.735 -9.432 7.357 285 HD22 LEU 47 1HD2 LEU 47 20.972 -10.983 6.556 286 HD23 LEU 47 2HD2 LEU 47 19.999 -10.889 8.032 287 H VAL 48 H VAL 48 18.282 -6.948 3.120 288 HA VAL 48 HA VAL 48 20.881 -6.804 1.648 289 HB VAL 48 HB VAL 48 18.972 -7.998 0.739 290 HG11 VAL 48 1HG1 VAL 48 17.179 -6.365 1.460 291 HG12 VAL 48 2HG1 VAL 48 17.706 -5.310 0.173 292 HG13 VAL 48 3HG1 VAL 48 17.068 -6.922 -0.197 293 HG21 VAL 48 3HG2 VAL 48 20.012 -5.672 -0.911 294 HG22 VAL 48 1HG2 VAL 48 20.819 -7.257 -0.653 295 HG23 VAL 48 2HG2 VAL 48 19.291 -7.190 -1.516 296 H CYS 49 H CYS 49 18.304 -4.568 2.635 297 HA CYS 49 HA CYS 49 20.078 -2.330 1.944 298 HB2 CYS 49 1HB CYS 49 17.195 -2.582 1.060 299 HB3 CYS 49 2HB CYS 49 18.175 -1.149 0.850 300 H GLY 50 H GLY 50 19.582 -3.227 4.562 301 HA2 GLY 50 1HA GLY 50 17.306 -2.163 5.737 302 HA3 GLY 50 2HA GLY 50 18.728 -2.733 6.595 303 H GLU 51 H GLU 51 18.228 0.158 4.532 304 HA GLU 51 HA GLU 51 19.809 1.842 6.244 305 HB2 GLU 51 1HB GLU 51 17.855 2.541 4.012 306 HB3 GLU 51 2HB GLU 51 19.011 3.665 4.761 307 HG2 GLU 51 1HG GLU 51 20.863 2.103 3.910 308 HG3 GLU 51 2HG GLU 51 19.598 1.176 3.019 309 HE2 GLU 51 HE2 GLU 51 20.322 4.975 1.940 310 H GLN 52 H GLN 52 16.283 1.333 5.981 311 HA GLN 52 HA GLN 52 15.484 3.585 7.611 312 HB2 GLN 52 1HB GLN 52 14.087 1.084 6.598 313 HB3 GLN 52 2HB GLN 52 13.271 2.215 7.633 314 HG2 GLN 52 1HG GLN 52 13.594 4.010 6.118 315 HG3 GLN 52 2HG GLN 52 14.401 2.914 5.018 316 HE21 GLN 52 2HE2 GLN 52 11.516 4.380 5.592 317 HE22 GLN 52 1HE2 GLN 52 10.473 3.267 4.749 318 H GLY 53 H GLY 53 16.885 0.589 8.250 319 HA2 GLY 53 1HA GLY 53 17.642 0.170 10.449 320 HA3 GLY 53 2HA GLY 53 16.194 0.965 11.096 321 H PHE 54 H PHE 54 14.104 -0.179 10.891 322 HA PHE 54 HA PHE 54 12.787 -2.014 11.256 323 HB2 PHE 54 1HB PHE 54 14.805 -3.689 9.919 324 HB3 PHE 54 2HB PHE 54 13.111 -4.062 10.101 325 HD1 PHE 54 HD1 PHE 54 11.475 -2.090 9.020 326 HD2 PHE 54 HD2 PHE 54 15.579 -2.894 7.862 327 HE1 PHE 54 HE1 PHE 54 11.084 -1.053 6.837 328 HE2 PHE 54 HE2 PHE 54 15.212 -1.763 5.686 329 HZ PHE 54 HZ PHE 54 12.915 -0.836 5.199 330 H PHE 55 H PHE 55 12.377 -2.809 13.106 331 HA PHE 55 HA PHE 55 12.619 -3.519 15.300 332 HB2 PHE 55 1HB PHE 55 12.957 -5.695 14.152 333 HB3 PHE 55 2HB PHE 55 14.697 -5.451 14.116 334 HD1 PHE 55 HD2 PHE 55 11.792 -5.400 16.568 335 HD2 PHE 55 HD1 PHE 55 15.924 -6.396 15.825 336 HE1 PHE 55 HE2 PHE 55 11.964 -6.411 18.820 337 HE2 PHE 55 HE1 PHE 55 16.108 -7.352 18.150 338 HZ PHE 55 HZ PHE 55 14.113 -7.406 19.585 339 H TYR 56 H TYR 56 13.789 -1.203 14.804 340 HA TYR 56 HA TYR 56 16.476 -1.275 16.006 341 HB2 TYR 56 1HB TYR 56 16.196 -0.023 13.863 342 HB3 TYR 56 2HB TYR 56 14.953 0.987 14.644 343 HD1 TYR 56 HD1 TYR 56 18.431 -0.080 15.756 344 HD2 TYR 56 HD2 TYR 56 15.793 3.200 14.858 345 HE1 TYR 56 HE1 TYR 56 20.137 1.542 16.528 346 HE2 TYR 56 HE2 TYR 56 17.497 4.778 15.738 347 HH TYR 56 HH TYR 56 19.553 5.051 16.618 348 H THR 57 H THR 57 16.747 -0.815 18.049 349 HA THR 57 HA THR 57 15.013 1.122 19.447 350 HB THR 57 HB THR 57 13.607 -0.668 20.012 351 HG1 THR 57 HG1 THR 57 15.729 -0.682 21.922 352 HG21 THR 57 1HG2 THR 57 14.852 -2.464 18.910 353 HG22 THR 57 2HG2 THR 57 14.329 -2.982 20.516 354 HG23 THR 57 3HG2 THR 57 16.013 -2.514 20.220 355 HA PRO 58 HA PRO 58 19.433 1.015 20.501 356 HB2 PRO 58 1HB PRO 58 19.868 3.648 20.999 357 HB3 PRO 58 2HB PRO 58 19.964 2.957 19.332 358 HG2 PRO 58 1HG PRO 58 17.645 4.356 20.699 359 HG3 PRO 58 2HG PRO 58 18.324 4.631 19.048 360 HD2 PRO 58 1HD PRO 58 16.130 3.176 19.434 361 HD3 PRO 58 2HD PRO 58 17.365 2.574 18.278 362 H LYS 59 H LYS 59 20.635 1.373 22.539 363 HA LYS 59 HA LYS 59 18.662 1.405 24.776 364 HB2 LYS 59 1HB LYS 59 21.623 0.531 24.728 365 HB3 LYS 59 2HB LYS 59 20.546 0.393 26.089 366 HG2 LYS 59 1HG LYS 59 19.045 -1.149 24.733 367 HG3 LYS 59 2HG LYS 59 20.254 -1.082 23.426 368 HD2 LYS 59 1HD LYS 59 21.970 -2.088 24.778 369 HD3 LYS 59 2HD LYS 59 20.876 -2.077 26.191 370 HE2 LYS 59 1HE LYS 59 20.878 -4.384 25.190 371 HE3 LYS 59 2HE LYS 59 19.306 -3.611 24.843 372 HZ1 LYS 59 3HZ LYS 59 21.512 -3.565 22.967 373 HZ2 LYS 59 1HZ LYS 59 19.999 -3.051 22.716 374 HZ3 LYS 59 2HZ LYS 59 20.278 -4.702 22.929 375 H THR 60 H THR 60 19.631 3.884 23.442 376 HA THR 60 HA THR 60 21.461 5.182 25.224 377 HB THR 60 HB THR 60 20.616 7.236 23.795 378 HG1 THR 60 HG1 THR 60 19.590 6.495 21.992 379 HG21 THR 60 1HG2 THR 60 21.981 6.171 21.730 380 HG22 THR 60 2HG2 THR 60 22.235 4.768 22.755 381 HG23 THR 60 3HG2 THR 60 22.846 6.346 23.210 382 HXT THR 60 H02 THR 60 18.257 5.035 24.932 Start of MODEL 34 1 H1 GLY 1 2H0 GLY 1 2.655 0.828 -3.552 2 H2 GLY 1 1H0 GLY 1 1.684 1.145 -2.317 3 HA2 GLY 1 1HA GLY 1 4.284 2.081 -2.122 4 HA3 GLY 1 2HA GLY 1 3.261 1.422 -0.858 5 H ILE 2 H ILE 2 5.959 0.801 -1.002 6 HA ILE 2 HA ILE 2 6.727 -1.370 -2.509 7 HB ILE 2 HB ILE 2 8.355 -0.285 -1.193 8 HG12 ILE 2 1HG1 ILE 2 7.966 -3.001 0.133 9 HG13 ILE 2 2HG1 ILE 2 8.717 -2.727 -1.456 10 HG21 ILE 2 1HG2 ILE 2 7.008 -1.119 1.462 11 HG22 ILE 2 2HG2 ILE 2 8.385 0.003 1.244 12 HG23 ILE 2 3HG2 ILE 2 6.801 0.502 0.681 13 HD11 ILE 2 3HD1 ILE 2 10.448 -1.246 -0.214 14 HD12 ILE 2 1HD1 ILE 2 9.712 -1.864 1.303 15 HD13 ILE 2 2HD1 ILE 2 10.501 -3.008 0.158 16 H VAL 3 H VAL 3 4.966 -1.621 0.652 17 HA VAL 3 HA VAL 3 5.086 -4.411 0.918 18 HB VAL 3 HB VAL 3 2.728 -2.628 1.719 19 HG11 VAL 3 1HG1 VAL 3 3.583 -5.372 2.652 20 HG12 VAL 3 2HG1 VAL 3 2.344 -4.378 3.406 21 HG13 VAL 3 3HG1 VAL 3 2.092 -4.941 1.753 22 HG21 VAL 3 3HG2 VAL 3 4.663 -1.636 2.717 23 HG22 VAL 3 1HG2 VAL 3 3.950 -2.666 3.999 24 HG23 VAL 3 2HG2 VAL 3 5.418 -3.186 3.090 25 H GLU 4 H GLU 4 2.318 -2.553 -0.564 26 HA GLU 4 HA GLU 4 1.081 -5.007 -1.453 27 HB2 GLU 4 1HB GLU 4 -0.525 -3.641 -2.694 28 HB3 GLU 4 2HB GLU 4 -0.208 -3.001 -1.067 29 HG2 GLU 4 1HG GLU 4 1.440 -1.358 -2.246 30 HG3 GLU 4 2HG GLU 4 0.726 -1.935 -3.801 31 HE2 GLU 4 HE2 GLU 4 -2.413 -0.533 -2.749 32 H GLN 5 H GLN 5 3.706 -3.088 -2.874 33 HA GLN 5 HA GLN 5 3.274 -4.049 -5.564 34 HB2 GLN 5 1HB GLN 5 4.507 -2.021 -4.929 35 HB3 GLN 5 2HB GLN 5 5.814 -3.020 -4.271 36 HG2 GLN 5 1HG GLN 5 6.411 -2.225 -6.538 37 HG3 GLN 5 2HG GLN 5 6.155 -3.991 -6.505 38 HE21 GLN 5 2HE2 GLN 5 5.347 -4.317 -8.577 39 HE22 GLN 5 1HE2 GLN 5 3.931 -3.512 -9.200 40 H CYS 6 H CYS 6 5.256 -5.156 -2.797 41 HA CYS 6 HA CYS 6 6.349 -7.396 -4.369 42 HB2 CYS 6 1HB CYS 6 6.915 -6.081 -1.860 43 HB3 CYS 6 2HB CYS 6 6.630 -7.787 -1.522 44 H CYS 7 H CYS 7 3.934 -7.087 -1.732 45 HA CYS 7 HA CYS 7 3.396 -9.874 -1.496 46 HB2 CYS 7 1HB CYS 7 1.626 -7.464 -0.840 47 HB3 CYS 7 2HB CYS 7 1.438 -9.093 -0.186 48 H THR 8 H THR 8 2.641 -8.154 -4.244 49 HA THR 8 HA THR 8 0.406 -10.034 -4.758 50 HB THR 8 HB THR 8 -0.500 -8.408 -6.424 51 HG1 THR 8 HG1 THR 8 1.121 -6.375 -5.271 52 HG21 THR 8 1HG2 THR 8 -0.411 -7.198 -3.618 53 HG22 THR 8 2HG2 THR 8 -1.572 -8.467 -4.199 54 HG23 THR 8 3HG2 THR 8 -1.587 -6.830 -4.918 55 H SER 9 H SER 9 0.813 -11.378 -6.372 56 HA SER 9 HA SER 9 2.072 -12.568 -7.824 57 HB2 SER 9 1HB SER 9 1.663 -10.548 -9.255 58 HB3 SER 9 2HB SER 9 3.355 -10.104 -8.857 59 HG SER 9 HG SER 9 3.116 -11.480 -10.809 60 H ILE 10 H ILE 10 4.609 -12.684 -8.730 61 HA ILE 10 HA ILE 10 6.063 -12.888 -6.117 62 HB ILE 10 HB ILE 10 6.788 -14.131 -8.836 63 HG12 ILE 10 1HG1 ILE 10 4.774 -15.139 -7.728 64 HG13 ILE 10 2HG1 ILE 10 6.102 -16.230 -7.940 65 HG21 ILE 10 1HG2 ILE 10 8.868 -13.870 -7.619 66 HG22 ILE 10 2HG2 ILE 10 8.120 -14.351 -6.092 67 HG23 ILE 10 3HG2 ILE 10 8.358 -15.549 -7.367 68 HD11 ILE 10 3HD1 ILE 10 5.535 -14.836 -5.309 69 HD12 ILE 10 1HD1 ILE 10 4.785 -16.365 -5.725 70 HD13 ILE 10 2HD1 ILE 10 6.530 -16.290 -5.560 71 H CYS 11 H CYS 11 7.393 -11.326 -5.555 72 HA CYS 11 HA CYS 11 8.580 -9.516 -7.581 73 HB2 CYS 11 1HB CYS 11 9.094 -8.030 -5.757 74 HB3 CYS 11 2HB CYS 11 7.387 -8.439 -5.723 75 H SER 12 H SER 12 10.916 -8.876 -7.050 76 HA SER 12 HA SER 12 12.431 -11.302 -6.169 77 HB2 SER 12 1HB SER 12 11.917 -11.614 -8.598 78 HB3 SER 12 2HB SER 12 12.599 -10.021 -8.939 79 HG SER 12 HG SER 12 13.931 -12.335 -7.951 80 H LEU 13 H LEU 13 14.861 -10.805 -6.375 81 HA LEU 13 HA LEU 13 15.508 -8.668 -4.703 82 HB2 LEU 13 1HB LEU 13 16.897 -10.714 -5.055 83 HB3 LEU 13 2HB LEU 13 17.310 -10.173 -6.697 84 HG LEU 13 HG LEU 13 18.428 -8.231 -5.803 85 HD11 LEU 13 1HD1 LEU 13 17.634 -9.442 -3.178 86 HD12 LEU 13 2HD1 LEU 13 17.444 -7.761 -3.760 87 HD13 LEU 13 3HD1 LEU 13 19.036 -8.366 -3.309 88 HD21 LEU 13 3HD2 LEU 13 20.412 -9.409 -5.229 89 HD22 LEU 13 1HD2 LEU 13 19.508 -10.475 -6.291 90 HD23 LEU 13 2HD2 LEU 13 19.489 -10.769 -4.533 91 H TYR 14 H TYR 14 15.302 -8.973 -8.153 92 HA TYR 14 HA TYR 14 16.825 -6.800 -8.995 93 HB2 TYR 14 1HB TYR 14 15.903 -8.481 -10.524 94 HB3 TYR 14 2HB TYR 14 14.274 -8.018 -10.104 95 HD1 TYR 14 HD1 TYR 14 17.311 -6.868 -11.994 96 HD2 TYR 14 HD2 TYR 14 13.172 -6.153 -11.176 97 HE1 TYR 14 HE1 TYR 14 17.263 -5.161 -13.746 98 HE2 TYR 14 HE2 TYR 14 13.089 -4.453 -13.024 99 HH TYR 14 HH TYR 14 14.275 -3.334 -14.567 100 H GLN 15 H GLN 15 13.439 -6.899 -7.880 101 HA GLN 15 HA GLN 15 13.145 -4.003 -8.344 102 HB2 GLN 15 1HB GLN 15 11.215 -5.531 -8.681 103 HB3 GLN 15 2HB GLN 15 11.311 -5.962 -6.968 104 HG2 GLN 15 1HG GLN 15 10.625 -3.822 -6.285 105 HG3 GLN 15 2HG GLN 15 10.891 -3.096 -7.887 106 HE21 GLN 15 2HE2 GLN 15 9.092 -2.581 -8.813 107 HE22 GLN 15 1HE2 GLN 15 7.583 -3.434 -8.812 108 H LEU 16 H LEU 16 13.619 -6.343 -5.652 109 HA LEU 16 HA LEU 16 13.015 -4.569 -3.544 110 HB2 LEU 16 1HB LEU 16 13.571 -7.146 -3.654 111 HB3 LEU 16 2HB LEU 16 15.179 -6.630 -3.211 112 HG LEU 16 HG LEU 16 14.136 -7.474 -1.308 113 HD11 LEU 16 1HD1 LEU 16 15.438 -5.342 -1.016 114 HD12 LEU 16 2HD1 LEU 16 14.263 -5.697 0.283 115 HD13 LEU 16 3HD1 LEU 16 13.908 -4.448 -0.965 116 HD21 LEU 16 3HD2 LEU 16 12.049 -6.686 -0.291 117 HD22 LEU 16 1HD2 LEU 16 11.750 -7.312 -1.929 118 HD23 LEU 16 2HD2 LEU 16 11.771 -5.591 -1.684 119 H GLU 17 H GLU 17 15.999 -4.996 -5.401 120 HA GLU 17 HA GLU 17 17.653 -3.362 -3.670 121 HB2 GLU 17 1HB GLU 17 17.883 -4.120 -6.600 122 HB3 GLU 17 2HB GLU 17 19.037 -3.070 -5.763 123 HG2 GLU 17 1HG GLU 17 19.345 -4.928 -4.029 124 HG3 GLU 17 2HG GLU 17 18.433 -6.000 -5.110 125 HE2 GLU 17 HE2 GLU 17 21.703 -6.619 -5.849 126 H ASN 18 H ASN 18 15.060 -2.422 -5.708 127 HA ASN 18 HA ASN 18 15.994 0.261 -6.355 128 HB2 ASN 18 1HB ASN 18 13.867 -0.790 -7.159 129 HB3 ASN 18 2HB ASN 18 13.230 -0.596 -5.516 130 HD21 ASN 18 2HD2 ASN 18 14.067 0.946 -8.527 131 HD22 ASN 18 1HD2 ASN 18 13.282 2.463 -8.178 132 H TYR 19 H TYR 19 14.587 -1.255 -3.435 133 HA TYR 19 HA TYR 19 14.471 1.301 -2.094 134 HB2 TYR 19 1HB TYR 19 14.129 -1.395 -0.783 135 HB3 TYR 19 2HB TYR 19 13.332 0.153 -0.361 136 HD1 TYR 19 HD2 TYR 19 11.821 1.226 -2.369 137 HD2 TYR 19 HD1 TYR 19 12.820 -2.945 -2.003 138 HE1 TYR 19 HE2 TYR 19 9.834 0.607 -3.891 139 HE2 TYR 19 HE1 TYR 19 10.868 -3.531 -3.466 140 HH TYR 19 HH TYR 19 8.717 -1.166 -4.897 141 H CYS 20 H CYS 20 16.903 -1.003 -2.767 142 HA CYS 20 HA CYS 20 18.560 0.042 -0.514 143 HB2 CYS 20 1HB CYS 20 18.068 -2.867 -1.169 144 HB3 CYS 20 2HB CYS 20 19.400 -2.313 -0.166 145 H ASN 21 H ASN 21 19.198 1.156 -2.700 146 HA ASN 21 HA ASN 21 20.728 -0.433 -4.656 147 HB2 ASN 21 1HB ASN 21 20.071 2.613 -4.365 148 HB3 ASN 21 2HB ASN 21 21.469 2.049 -5.352 149 HD21 ASN 21 2HD2 ASN 21 18.369 3.041 -5.652 150 HD22 ASN 21 1HD2 ASN 21 17.899 2.134 -6.980 151 HXT ASN 21 H02 ASN 21 22.195 -1.368 -3.646 152 H1 PHE 31 2H0 PHE 31 19.102 -16.441 -4.080 153 H2 PHE 31 1H0 PHE 31 20.111 -15.353 -3.327 154 HA PHE 31 HA PHE 31 18.202 -14.872 -1.762 155 HB2 PHE 31 1HB PHE 31 18.765 -13.627 -3.854 156 HB3 PHE 31 2HB PHE 31 17.534 -14.569 -4.702 157 HD1 PHE 31 HD2 PHE 31 17.994 -12.212 -1.875 158 HD2 PHE 31 HD1 PHE 31 15.332 -13.808 -4.808 159 HE1 PHE 31 HE2 PHE 31 16.236 -10.478 -1.299 160 HE2 PHE 31 HE1 PHE 31 13.593 -12.186 -4.242 161 HZ PHE 31 HZ PHE 31 14.084 -10.509 -2.515 162 H VAL 32 H VAL 32 15.813 -14.575 -1.725 163 HA VAL 32 HA VAL 32 14.453 -17.151 -2.490 164 HB VAL 32 HB VAL 32 14.004 -15.451 -0.004 165 HG11 VAL 32 1HG1 VAL 32 12.511 -17.845 -1.020 166 HG12 VAL 32 2HG1 VAL 32 12.392 -17.193 0.655 167 HG13 VAL 32 3HG1 VAL 32 11.888 -16.188 -0.714 168 HG21 VAL 32 3HG2 VAL 32 15.298 -18.129 -0.525 169 HG22 VAL 32 1HG2 VAL 32 15.925 -16.716 0.368 170 HG23 VAL 32 2HG2 VAL 32 14.650 -17.746 1.084 171 H ASN 33 H ASN 33 13.267 -16.739 -4.210 172 HA ASN 33 HA ASN 33 11.894 -14.134 -4.453 173 HB2 ASN 33 1HB ASN 33 12.038 -16.556 -6.298 174 HB3 ASN 33 2HB ASN 33 11.247 -14.996 -6.698 175 HD21 ASN 33 2HD2 ASN 33 13.959 -16.674 -7.219 176 HD22 ASN 33 1HD2 ASN 33 14.985 -15.347 -7.540 177 H GLN 34 H GLN 34 10.148 -13.875 -3.310 178 HA GLN 34 HA GLN 34 7.866 -15.797 -3.585 179 HB2 GLN 34 1HB GLN 34 9.300 -15.224 -1.019 180 HB3 GLN 34 2HB GLN 34 7.602 -15.600 -1.065 181 HG2 GLN 34 1HG GLN 34 8.280 -17.757 -2.217 182 HG3 GLN 34 2HG GLN 34 9.922 -17.352 -1.888 183 HE21 GLN 34 2HE2 GLN 34 7.570 -19.286 -0.795 184 HE22 GLN 34 1HE2 GLN 34 7.937 -19.271 0.917 185 H HIS 35 H HIS 35 6.045 -14.631 -2.054 186 HA HIS 35 HA HIS 35 5.707 -12.073 -3.285 187 HB2 HIS 35 1HB HIS 35 4.217 -13.251 -0.887 188 HB3 HIS 35 2HB HIS 35 3.684 -11.916 -1.921 189 HD1 HIS 35 HD1 HIS 35 3.629 -12.716 -4.609 190 HD2 HIS 35 HD2 HIS 35 2.916 -15.517 -1.596 191 HE1 HIS 35 HE1 HIS 35 2.344 -14.741 -5.703 192 HE2 HIS 35 HE2 HIS 35 1.938 -16.359 -3.827 193 H LEU 36 H LEU 36 7.048 -13.180 -0.248 194 HA LEU 36 HA LEU 36 7.939 -12.080 1.584 195 HB2 LEU 36 1HB LEU 36 8.843 -10.687 -0.865 196 HB3 LEU 36 2HB LEU 36 8.913 -9.648 0.589 197 HG LEU 36 HG LEU 36 10.269 -11.307 1.749 198 HD11 LEU 36 1HD1 LEU 36 9.668 -13.360 0.671 199 HD12 LEU 36 2HD1 LEU 36 11.368 -13.065 0.174 200 HD13 LEU 36 3HD1 LEU 36 10.026 -12.690 -0.948 201 HD21 LEU 36 3HD2 LEU 36 11.497 -10.475 -0.847 202 HD22 LEU 36 1HD2 LEU 36 12.328 -10.885 0.664 203 HD23 LEU 36 2HD2 LEU 36 11.311 -9.427 0.597 204 H CYS 37 H CYS 37 5.869 -11.900 2.578 205 HA CYS 37 HA CYS 37 5.097 -8.971 2.813 206 HB2 CYS 37 1HB CYS 37 3.557 -10.850 1.603 207 HB3 CYS 37 2HB CYS 37 3.000 -11.059 3.279 208 H GLY 38 H GLY 38 4.049 -8.547 4.950 209 HA2 GLY 38 1HA GLY 38 4.020 -8.626 7.286 210 HA3 GLY 38 2HA GLY 38 4.292 -10.394 7.139 211 H SER 39 H SER 39 5.911 -10.567 8.692 212 HA SER 39 HA SER 39 8.138 -8.924 9.060 213 HB2 SER 39 1HB SER 39 7.895 -11.890 9.459 214 HB3 SER 39 2HB SER 39 9.031 -10.830 10.320 215 HG SER 39 HG SER 39 7.270 -11.071 11.595 216 H HIS 40 H HIS 40 7.724 -11.561 6.715 217 HA HIS 40 HA HIS 40 10.446 -12.087 6.206 218 HB2 HIS 40 1HB HIS 40 7.958 -12.326 4.476 219 HB3 HIS 40 2HB HIS 40 9.542 -12.667 3.791 220 HD1 HIS 40 HD1 HIS 40 10.714 -14.845 4.456 221 HD2 HIS 40 HD2 HIS 40 7.055 -14.237 6.394 222 HE1 HIS 40 HE1 HIS 40 10.087 -17.072 5.465 223 HE2 HIS 40 HE2 HIS 40 7.904 -16.698 6.690 224 H LEU 41 H LEU 41 8.241 -9.652 4.753 225 HA LEU 41 HA LEU 41 9.951 -8.746 2.731 226 HB2 LEU 41 1HB LEU 41 7.555 -8.118 2.915 227 HB3 LEU 41 2HB LEU 41 7.885 -7.251 4.417 228 HG LEU 41 HG LEU 41 9.158 -5.565 3.117 229 HD11 LEU 41 1HD1 LEU 41 8.941 -5.609 0.587 230 HD12 LEU 41 2HD1 LEU 41 8.379 -7.285 0.700 231 HD13 LEU 41 3HD1 LEU 41 9.998 -6.873 1.236 232 HD21 LEU 41 3HD2 LEU 41 6.400 -6.252 2.127 233 HD22 LEU 41 1HD2 LEU 41 7.179 -4.675 1.988 234 HD23 LEU 41 2HD2 LEU 41 6.816 -5.301 3.574 235 H VAL 42 H VAL 42 9.510 -7.373 6.034 236 HA VAL 42 HA VAL 42 11.516 -5.398 5.644 237 HB VAL 42 HB VAL 42 11.127 -4.893 8.047 238 HG11 VAL 42 1HG1 VAL 42 8.516 -5.249 6.538 239 HG12 VAL 42 2HG1 VAL 42 8.907 -4.036 7.785 240 HG13 VAL 42 3HG1 VAL 42 9.692 -3.975 6.217 241 HG21 VAL 42 3HG2 VAL 42 10.595 -7.061 9.066 242 HG22 VAL 42 1HG2 VAL 42 9.133 -6.050 9.192 243 HG23 VAL 42 2HG2 VAL 42 9.238 -7.306 7.965 244 H GLU 43 H GLU 43 11.619 -8.663 6.968 245 HA GLU 43 HA GLU 43 14.274 -8.310 8.189 246 HB2 GLU 43 1HB GLU 43 12.619 -10.014 8.835 247 HB3 GLU 43 2HB GLU 43 12.883 -10.860 7.306 248 HG2 GLU 43 1HG GLU 43 15.242 -11.274 7.829 249 HG3 GLU 43 2HG GLU 43 15.076 -10.371 9.346 250 HE2 GLU 43 HE2 GLU 43 15.934 -12.356 9.961 251 H ALA 44 H ALA 44 13.138 -9.562 5.017 252 HA ALA 44 HA ALA 44 15.810 -10.239 4.185 253 HB1 ALA 44 3HB ALA 44 13.803 -11.294 3.116 254 HB2 ALA 44 1HB ALA 44 13.309 -9.697 2.494 255 HB3 ALA 44 2HB ALA 44 14.800 -10.490 1.915 256 H LEU 45 H LEU 45 13.726 -7.261 4.036 257 HA LEU 45 HA LEU 45 15.612 -5.872 2.343 258 HB2 LEU 45 1HB LEU 45 13.206 -5.260 2.888 259 HB3 LEU 45 2HB LEU 45 13.754 -4.662 4.403 260 HG LEU 45 HG LEU 45 15.088 -3.520 1.968 261 HD11 LEU 45 1HD1 LEU 45 13.209 -1.944 1.537 262 HD12 LEU 45 2HD1 LEU 45 12.187 -2.925 2.628 263 HD13 LEU 45 3HD1 LEU 45 12.803 -3.656 1.154 264 HD21 LEU 45 3HD2 LEU 45 14.720 -1.379 3.252 265 HD22 LEU 45 1HD2 LEU 45 15.706 -2.587 4.101 266 HD23 LEU 45 2HD2 LEU 45 13.973 -2.349 4.532 267 H TYR 46 H TYR 46 15.248 -6.024 5.902 268 HA TYR 46 HA TYR 46 17.286 -4.244 6.674 269 HB2 TYR 46 1HB TYR 46 15.939 -5.215 8.358 270 HB3 TYR 46 2HB TYR 46 16.390 -6.848 7.818 271 HD1 TYR 46 HD1 TYR 46 17.797 -3.818 9.367 272 HD2 TYR 46 HD2 TYR 46 18.199 -8.023 8.750 273 HE1 TYR 46 HE1 TYR 46 19.646 -3.877 10.985 274 HE2 TYR 46 HE2 TYR 46 20.073 -8.140 10.395 275 HH TYR 46 HH TYR 46 21.365 -5.207 11.862 276 H LEU 47 H LEU 47 17.526 -7.659 5.785 277 HA LEU 47 HA LEU 47 20.306 -7.921 6.300 278 HB2 LEU 47 1HB LEU 47 18.322 -9.353 4.624 279 HB3 LEU 47 2HB LEU 47 20.012 -9.842 4.673 280 HG LEU 47 HG LEU 47 18.381 -9.688 7.164 281 HD11 LEU 47 1HD1 LEU 47 18.862 -12.131 5.446 282 HD12 LEU 47 2HD1 LEU 47 17.353 -11.228 5.525 283 HD13 LEU 47 3HD1 LEU 47 17.961 -12.042 6.942 284 HD21 LEU 47 3HD2 LEU 47 20.125 -11.204 8.074 285 HD22 LEU 47 1HD2 LEU 47 20.834 -9.685 7.536 286 HD23 LEU 47 2HD2 LEU 47 20.974 -11.125 6.551 287 H VAL 48 H VAL 48 18.576 -7.246 3.220 288 HA VAL 48 HA VAL 48 21.039 -7.407 1.781 289 HB VAL 48 HB VAL 48 18.840 -8.077 0.861 290 HG11 VAL 48 1HG1 VAL 48 17.270 -6.513 -0.037 291 HG12 VAL 48 2HG1 VAL 48 17.531 -6.139 1.656 292 HG13 VAL 48 3HG1 VAL 48 18.289 -5.140 0.406 293 HG21 VAL 48 3HG2 VAL 48 20.762 -7.737 -0.559 294 HG22 VAL 48 1HG2 VAL 48 19.217 -7.394 -1.383 295 HG23 VAL 48 2HG2 VAL 48 20.250 -6.046 -0.847 296 H CYS 49 H CYS 49 19.204 -4.802 3.317 297 HA CYS 49 HA CYS 49 20.711 -2.641 1.904 298 HB2 CYS 49 1HB CYS 49 18.505 -2.915 3.812 299 HB3 CYS 49 2HB CYS 49 19.642 -1.671 4.296 300 H GLY 50 H GLY 50 20.713 -4.194 5.193 301 HA2 GLY 50 1HA GLY 50 22.539 -4.707 6.563 302 HA3 GLY 50 2HA GLY 50 23.605 -3.891 5.422 303 H GLU 51 H GLU 51 20.777 -2.328 6.687 304 HA GLU 51 HA GLU 51 22.398 -0.786 8.720 305 HB2 GLU 51 1HB GLU 51 20.406 0.391 6.731 306 HB3 GLU 51 2HB GLU 51 21.154 1.233 8.103 307 HG2 GLU 51 1HG GLU 51 22.448 2.004 6.302 308 HG3 GLU 51 2HG GLU 51 23.447 0.714 6.960 309 HE2 GLU 51 HE2 GLU 51 23.460 -1.001 4.132 310 H GLN 52 H GLN 52 20.898 0.400 10.246 311 HA GLN 52 HA GLN 52 18.775 -1.334 11.241 312 HB2 GLN 52 1HB GLN 52 20.024 1.279 12.151 313 HB3 GLN 52 2HB GLN 52 18.717 0.461 13.063 314 HG2 GLN 52 1HG GLN 52 21.419 -0.789 12.443 315 HG3 GLN 52 2HG GLN 52 21.067 0.128 13.888 316 HE21 GLN 52 2HE2 GLN 52 21.396 -2.960 12.889 317 HE22 GLN 52 1HE2 GLN 52 20.265 -3.676 14.005 318 H GLY 53 H GLY 53 17.736 -0.884 8.942 319 HA2 GLY 53 1HA GLY 53 16.418 1.635 8.513 320 HA3 GLY 53 2HA GLY 53 16.066 0.072 7.761 321 H PHE 54 H PHE 54 15.779 -1.190 10.410 322 HA PHE 54 HA PHE 54 13.083 -0.107 11.164 323 HB2 PHE 54 1HB PHE 54 13.755 -3.010 10.938 324 HB3 PHE 54 2HB PHE 54 12.183 -2.326 11.348 325 HD1 PHE 54 HD1 PHE 54 11.051 -0.852 9.503 326 HD2 PHE 54 HD2 PHE 54 14.369 -3.509 8.822 327 HE1 PHE 54 HE1 PHE 54 10.505 -0.913 7.101 328 HE2 PHE 54 HE2 PHE 54 13.814 -3.622 6.339 329 HZ PHE 54 HZ PHE 54 11.890 -2.355 5.480 330 H PHE 55 H PHE 55 12.924 0.218 13.289 331 HA PHE 55 HA PHE 55 15.178 -0.718 14.945 332 HB2 PHE 55 1HB PHE 55 13.005 1.260 15.668 333 HB3 PHE 55 2HB PHE 55 14.420 0.901 16.605 334 HD1 PHE 55 HD2 PHE 55 16.755 1.225 15.405 335 HD2 PHE 55 HD1 PHE 55 13.043 3.055 14.173 336 HE1 PHE 55 HE2 PHE 55 18.039 3.015 14.203 337 HE2 PHE 55 HE1 PHE 55 14.310 4.835 12.956 338 HZ PHE 55 HZ PHE 55 16.799 4.846 12.995 339 H TYR 56 H TYR 56 14.255 -2.889 14.431 340 HA TYR 56 HA TYR 56 12.454 -3.686 16.674 341 HB2 TYR 56 1HB TYR 56 11.116 -3.466 14.584 342 HB3 TYR 56 2HB TYR 56 12.182 -4.650 13.832 343 HD1 TYR 56 HD2 TYR 56 9.590 -4.143 16.559 344 HD2 TYR 56 HD1 TYR 56 12.037 -7.025 14.417 345 HE1 TYR 56 HE2 TYR 56 8.186 -6.013 17.459 346 HE2 TYR 56 HE1 TYR 56 10.682 -8.859 15.377 347 HH TYR 56 HH TYR 56 8.799 -9.462 16.385 348 H THR 57 H THR 57 12.859 -5.676 17.552 349 HA THR 57 HA THR 57 14.740 -7.411 16.167 350 HB THR 57 HB THR 57 16.197 -5.832 17.575 351 HG1 THR 57 HG1 THR 57 17.520 -7.616 18.246 352 HG21 THR 57 1HG2 THR 57 14.670 -5.835 19.642 353 HG22 THR 57 2HG2 THR 57 16.419 -6.083 19.954 354 HG23 THR 57 3HG2 THR 57 15.306 -7.473 19.957 355 HA PRO 58 HA PRO 58 11.768 -9.892 17.938 356 HB2 PRO 58 1HB PRO 58 12.739 -12.483 17.906 357 HB3 PRO 58 2HB PRO 58 12.202 -11.615 16.456 358 HG2 PRO 58 1HG PRO 58 15.001 -11.855 17.583 359 HG3 PRO 58 2HG PRO 58 14.468 -12.193 15.904 360 HD2 PRO 58 1HD PRO 58 15.643 -9.841 16.597 361 HD3 PRO 58 2HD PRO 58 14.290 -9.893 15.385 362 H LYS 59 H LYS 59 11.840 -9.046 20.140 363 HA LYS 59 HA LYS 59 12.787 -11.069 22.051 364 HB2 LYS 59 1HB LYS 59 14.596 -9.345 21.897 365 HB3 LYS 59 2HB LYS 59 13.426 -8.134 22.398 366 HG2 LYS 59 1HG LYS 59 13.145 -9.190 24.606 367 HG3 LYS 59 2HG LYS 59 14.173 -10.539 24.097 368 HD2 LYS 59 1HD LYS 59 15.558 -9.141 25.471 369 HD3 LYS 59 2HD LYS 59 16.080 -9.029 23.825 370 HE2 LYS 59 1HE LYS 59 16.090 -6.780 24.774 371 HE3 LYS 59 2HE LYS 59 14.736 -6.797 23.621 372 HZ1 LYS 59 3HZ LYS 59 13.273 -7.196 25.398 373 HZ2 LYS 59 1HZ LYS 59 14.016 -5.813 25.653 374 HZ3 LYS 59 2HZ LYS 59 14.465 -7.091 26.547 375 H THR 60 H THR 60 10.930 -11.659 22.882 376 HA THR 60 HA THR 60 8.999 -9.583 23.805 377 HB THR 60 HB THR 60 7.978 -12.290 23.202 378 HG1 THR 60 HG1 THR 60 9.082 -12.309 21.482 379 HG21 THR 60 1HG2 THR 60 7.175 -9.450 22.387 380 HG22 THR 60 2HG2 THR 60 6.348 -10.429 23.578 381 HG23 THR 60 3HG2 THR 60 6.268 -10.867 21.861 382 HXT THR 60 H02 THR 60 8.886 -9.520 25.563 Start of MODEL 35 1 H1 GLY 1 2H0 GLY 1 2.321 1.403 1.632 2 H2 GLY 1 1H0 GLY 1 2.095 -0.251 1.480 3 HA2 GLY 1 1HA GLY 1 2.119 0.611 -0.684 4 HA3 GLY 1 2HA GLY 1 3.489 1.697 -0.271 5 H ILE 2 H ILE 2 5.368 0.104 0.658 6 HA ILE 2 HA ILE 2 6.448 -1.364 -1.570 7 HB ILE 2 HB ILE 2 7.809 -0.463 0.232 8 HG12 ILE 2 1HG1 ILE 2 7.964 -3.512 0.178 9 HG13 ILE 2 2HG1 ILE 2 8.489 -2.477 -1.141 10 HG21 ILE 2 1HG2 ILE 2 6.119 -1.058 2.090 11 HG22 ILE 2 2HG2 ILE 2 6.930 -2.631 2.152 12 HG23 ILE 2 3HG2 ILE 2 7.872 -1.132 2.460 13 HD11 ILE 2 3HD1 ILE 2 10.427 -3.004 0.049 14 HD12 ILE 2 1HD1 ILE 2 10.034 -1.308 0.521 15 HD13 ILE 2 2HD1 ILE 2 9.648 -2.681 1.624 16 H VAL 3 H VAL 3 4.479 -2.472 1.214 17 HA VAL 3 HA VAL 3 4.899 -5.275 0.758 18 HB VAL 3 HB VAL 3 2.466 -3.882 2.065 19 HG11 VAL 3 1HG1 VAL 3 1.861 -6.172 1.456 20 HG12 VAL 3 2HG1 VAL 3 3.414 -6.797 2.116 21 HG13 VAL 3 3HG1 VAL 3 2.199 -6.135 3.227 22 HG21 VAL 3 3HG2 VAL 3 4.860 -5.207 3.478 23 HG22 VAL 3 1HG2 VAL 3 4.760 -3.462 3.176 24 HG23 VAL 3 2HG2 VAL 3 3.552 -4.205 4.233 25 H GLU 4 H GLU 4 2.106 -3.126 -0.241 26 HA GLU 4 HA GLU 4 0.974 -5.239 -1.807 27 HB2 GLU 4 1HB GLU 4 -0.611 -3.652 -2.586 28 HB3 GLU 4 2HB GLU 4 -0.319 -3.338 -0.851 29 HG2 GLU 4 1HG GLU 4 1.163 -1.407 -1.509 30 HG3 GLU 4 2HG GLU 4 0.734 -1.725 -3.215 31 HE2 GLU 4 HE2 GLU 4 -1.581 -1.988 -3.413 32 H GLN 5 H GLN 5 3.539 -3.022 -2.560 33 HA GLN 5 HA GLN 5 3.166 -3.344 -5.487 34 HB2 GLN 5 1HB GLN 5 4.011 -1.305 -4.324 35 HB3 GLN 5 2HB GLN 5 5.501 -2.141 -3.908 36 HG2 GLN 5 1HG GLN 5 5.862 -0.825 -5.933 37 HG3 GLN 5 2HG GLN 5 5.992 -2.550 -6.312 38 HE21 GLN 5 2HE2 GLN 5 3.338 -0.075 -6.080 39 HE22 GLN 5 1HE2 GLN 5 2.666 -0.499 -7.658 40 H CYS 6 H CYS 6 5.326 -4.841 -2.951 41 HA CYS 6 HA CYS 6 6.734 -6.284 -5.131 42 HB2 CYS 6 1HB CYS 6 7.381 -5.350 -2.460 43 HB3 CYS 6 2HB CYS 6 7.840 -7.033 -2.712 44 H CYS 7 H CYS 7 4.419 -6.887 -2.575 45 HA CYS 7 HA CYS 7 4.966 -9.781 -2.466 46 HB2 CYS 7 1HB CYS 7 4.503 -8.526 -0.450 47 HB3 CYS 7 2HB CYS 7 2.866 -8.195 -1.012 48 H THR 8 H THR 8 4.245 -8.887 -4.981 49 HA THR 8 HA THR 8 1.934 -10.645 -5.453 50 HB THR 8 HB THR 8 0.620 -8.682 -5.356 51 HG1 THR 8 HG1 THR 8 1.086 -8.194 -7.996 52 HG21 THR 8 1HG2 THR 8 1.473 -6.585 -6.686 53 HG22 THR 8 2HG2 THR 8 3.077 -7.308 -6.471 54 HG23 THR 8 3HG2 THR 8 2.103 -6.886 -5.068 55 H SER 9 H SER 9 2.437 -11.912 -7.183 56 HA SER 9 HA SER 9 3.782 -12.792 -8.811 57 HB2 SER 9 1HB SER 9 2.767 -10.575 -9.847 58 HB3 SER 9 2HB SER 9 4.499 -10.160 -10.019 59 HG SER 9 HG SER 9 4.831 -11.965 -11.234 60 H ILE 10 H ILE 10 5.069 -11.619 -6.357 61 HA ILE 10 HA ILE 10 7.060 -11.030 -5.453 62 HB ILE 10 HB ILE 10 7.833 -13.518 -7.003 63 HG12 ILE 10 1HG1 ILE 10 5.865 -14.074 -5.743 64 HG13 ILE 10 2HG1 ILE 10 7.179 -14.615 -4.731 65 HG21 ILE 10 1HG2 ILE 10 9.386 -13.880 -4.911 66 HG22 ILE 10 2HG2 ILE 10 9.860 -12.456 -5.876 67 HG23 ILE 10 3HG2 ILE 10 8.943 -12.235 -4.374 68 HD11 ILE 10 3HD1 ILE 10 6.963 -12.771 -3.205 69 HD12 ILE 10 1HD1 ILE 10 5.729 -12.009 -4.226 70 HD13 ILE 10 2HD1 ILE 10 5.407 -13.535 -3.413 71 H CYS 11 H CYS 11 7.904 -9.161 -5.976 72 HA CYS 11 HA CYS 11 9.064 -8.454 -8.460 73 HB2 CYS 11 1HB CYS 11 9.911 -6.477 -7.268 74 HB3 CYS 11 2HB CYS 11 8.255 -6.858 -6.765 75 H SER 12 H SER 12 11.221 -8.221 -9.213 76 HA SER 12 HA SER 12 13.096 -10.198 -8.202 77 HB2 SER 12 1HB SER 12 13.813 -8.041 -10.128 78 HB3 SER 12 2HB SER 12 14.408 -9.715 -10.076 79 HG SER 12 HG SER 12 12.159 -10.354 -10.529 80 H LEU 13 H LEU 13 15.453 -9.621 -7.855 81 HA LEU 13 HA LEU 13 15.756 -7.820 -5.615 82 HB2 LEU 13 1HB LEU 13 17.182 -9.782 -6.055 83 HB3 LEU 13 2HB LEU 13 17.823 -9.024 -7.507 84 HG LEU 13 HG LEU 13 18.904 -7.264 -6.075 85 HD11 LEU 13 1HD1 LEU 13 19.056 -7.564 -3.638 86 HD12 LEU 13 2HD1 LEU 13 17.914 -8.963 -3.776 87 HD13 LEU 13 3HD1 LEU 13 17.359 -7.304 -4.117 88 HD21 LEU 13 3HD2 LEU 13 20.300 -9.189 -6.669 89 HD22 LEU 13 1HD2 LEU 13 19.551 -10.196 -5.413 90 HD23 LEU 13 2HD2 LEU 13 20.637 -8.860 -4.993 91 H TYR 14 H TYR 14 16.050 -7.356 -9.092 92 HA TYR 14 HA TYR 14 17.607 -4.995 -9.251 93 HB2 TYR 14 1HB TYR 14 16.639 -6.563 -11.126 94 HB3 TYR 14 2HB TYR 14 15.187 -5.583 -10.968 95 HD1 TYR 14 HD1 TYR 14 18.841 -5.397 -11.838 96 HD2 TYR 14 HD2 TYR 14 15.020 -3.378 -11.871 97 HE1 TYR 14 HE1 TYR 14 19.758 -3.726 -13.414 98 HE2 TYR 14 HE2 TYR 14 15.960 -1.638 -13.433 99 HH TYR 14 HH TYR 14 19.296 -1.746 -14.587 100 H GLN 15 H GLN 15 14.039 -5.422 -8.661 101 HA GLN 15 HA GLN 15 13.895 -2.449 -8.266 102 HB2 GLN 15 1HB GLN 15 12.147 -3.738 -9.436 103 HB3 GLN 15 2HB GLN 15 11.797 -4.620 -7.928 104 HG2 GLN 15 1HG GLN 15 11.229 -2.475 -6.795 105 HG3 GLN 15 2HG GLN 15 11.626 -1.602 -8.307 106 HE21 GLN 15 2HE2 GLN 15 9.090 -2.382 -6.481 107 HE22 GLN 15 1HE2 GLN 15 7.934 -2.778 -7.766 108 H LEU 16 H LEU 16 14.019 -5.454 -6.345 109 HA LEU 16 HA LEU 16 13.100 -4.286 -3.991 110 HB2 LEU 16 1HB LEU 16 13.372 -6.704 -4.507 111 HB3 LEU 16 2HB LEU 16 15.094 -6.501 -4.163 112 HG LEU 16 HG LEU 16 13.555 -5.385 -1.993 113 HD11 LEU 16 1HD1 LEU 16 12.438 -7.432 -1.277 114 HD12 LEU 16 2HD1 LEU 16 12.980 -8.289 -2.703 115 HD13 LEU 16 3HD1 LEU 16 11.846 -6.939 -2.819 116 HD21 LEU 16 3HD2 LEU 16 15.356 -7.843 -2.056 117 HD22 LEU 16 1HD2 LEU 16 14.875 -6.898 -0.644 118 HD23 LEU 16 2HD2 LEU 16 15.933 -6.147 -1.895 119 H GLU 17 H GLU 17 16.324 -4.296 -5.438 120 HA GLU 17 HA GLU 17 17.805 -3.247 -3.195 121 HB2 GLU 17 1HB GLU 17 18.132 -3.129 -6.200 122 HB3 GLU 17 2HB GLU 17 19.172 -2.209 -5.120 123 HG2 GLU 17 1HG GLU 17 19.730 -4.303 -3.938 124 HG3 GLU 17 2HG GLU 17 18.854 -5.178 -5.154 125 HE2 GLU 17 HE2 GLU 17 20.948 -5.983 -5.117 126 H ASN 18 H ASN 18 15.508 -1.682 -5.413 127 HA ASN 18 HA ASN 18 16.540 0.981 -5.102 128 HB2 ASN 18 1HB ASN 18 14.836 0.190 -6.866 129 HB3 ASN 18 2HB ASN 18 13.567 0.237 -5.555 130 HD21 ASN 18 2HD2 ASN 18 16.228 2.297 -6.799 131 HD22 ASN 18 1HD2 ASN 18 15.214 3.733 -6.856 132 H TYR 19 H TYR 19 14.485 -1.183 -3.061 133 HA TYR 19 HA TYR 19 13.472 0.989 -1.415 134 HB2 TYR 19 1HB TYR 19 13.602 -2.025 -0.945 135 HB3 TYR 19 2HB TYR 19 12.713 -0.859 0.066 136 HD1 TYR 19 HD1 TYR 19 10.985 0.640 -1.127 137 HD2 TYR 19 HD2 TYR 19 12.416 -3.107 -2.635 138 HE1 TYR 19 HE1 TYR 19 9.055 0.544 -2.651 139 HE2 TYR 19 HE2 TYR 19 10.497 -3.231 -4.203 140 HH TYR 19 HH TYR 19 8.041 -0.534 -4.347 141 H CYS 20 H CYS 20 16.476 -0.624 -1.709 142 HA CYS 20 HA CYS 20 17.252 -0.319 1.104 143 HB2 CYS 20 1HB CYS 20 19.003 -0.513 -1.371 144 HB3 CYS 20 2HB CYS 20 19.566 -0.559 0.276 145 H ASN 21 H ASN 21 16.779 1.799 -1.564 146 HA ASN 21 HA ASN 21 17.164 3.961 -2.001 147 HB2 ASN 21 1HB ASN 21 16.194 4.131 0.367 148 HB3 ASN 21 2HB ASN 21 17.844 4.323 0.953 149 HD21 ASN 21 2HD2 ASN 21 15.194 6.021 0.480 150 HD22 ASN 21 1HD2 ASN 21 15.910 7.541 -0.010 151 HXT ASN 21 H02 ASN 21 19.533 3.139 0.177 152 H1 PHE 31 2H0 PHE 31 17.063 -12.816 -10.320 153 H2 PHE 31 1H0 PHE 31 15.562 -13.518 -10.538 154 HA PHE 31 HA PHE 31 16.608 -14.210 -8.563 155 HB2 PHE 31 1HB PHE 31 17.806 -11.980 -8.228 156 HB3 PHE 31 2HB PHE 31 16.272 -11.348 -7.681 157 HD1 PHE 31 HD1 PHE 31 18.845 -13.914 -6.889 158 HD2 PHE 31 HD2 PHE 31 15.597 -11.476 -5.400 159 HE1 PHE 31 HE1 PHE 31 19.387 -14.548 -4.576 160 HE2 PHE 31 HE2 PHE 31 16.241 -12.135 -3.045 161 HZ PHE 31 HZ PHE 31 18.001 -13.738 -2.635 162 H VAL 32 H VAL 32 15.441 -14.829 -6.644 163 HA VAL 32 HA VAL 32 12.592 -13.824 -6.701 164 HB VAL 32 HB VAL 32 12.653 -16.064 -7.775 165 HG11 VAL 32 1HG1 VAL 32 13.915 -17.161 -5.196 166 HG12 VAL 32 2HG1 VAL 32 13.396 -18.127 -6.603 167 HG13 VAL 32 3HG1 VAL 32 14.763 -17.009 -6.737 168 HG21 VAL 32 3HG2 VAL 32 10.894 -17.073 -6.456 169 HG22 VAL 32 1HG2 VAL 32 11.509 -16.343 -4.999 170 HG23 VAL 32 2HG2 VAL 32 10.771 -15.351 -6.247 171 H ASN 33 H ASN 33 11.987 -13.049 -4.715 172 HA ASN 33 HA ASN 33 13.951 -13.541 -2.457 173 HB2 ASN 33 1HB ASN 33 13.079 -11.176 -3.509 174 HB3 ASN 33 2HB ASN 33 11.756 -11.454 -2.318 175 HD21 ASN 33 2HD2 ASN 33 12.125 -11.015 -0.158 176 HD22 ASN 33 1HD2 ASN 33 13.686 -10.534 0.483 177 H GLN 34 H GLN 34 11.860 -15.417 -3.284 178 HA GLN 34 HA GLN 34 10.277 -16.743 -2.424 179 HB2 GLN 34 1HB GLN 34 11.155 -15.582 0.254 180 HB3 GLN 34 2HB GLN 34 10.208 -17.067 0.001 181 HG2 GLN 34 1HG GLN 34 12.250 -17.843 -1.417 182 HG3 GLN 34 2HG GLN 34 13.116 -16.542 -0.543 183 HE21 GLN 34 2HE2 GLN 34 13.558 -19.491 -0.203 184 HE22 GLN 34 1HE2 GLN 34 13.180 -19.831 1.469 185 H HIS 35 H HIS 35 8.347 -16.780 -0.694 186 HA HIS 35 HA HIS 35 6.619 -14.528 -1.554 187 HB2 HIS 35 1HB HIS 35 5.910 -17.218 -0.380 188 HB3 HIS 35 2HB HIS 35 4.750 -15.940 -0.709 189 HD1 HIS 35 HD1 HIS 35 4.236 -15.327 -3.258 190 HD2 HIS 35 HD2 HIS 35 6.833 -18.628 -2.747 191 HE1 HIS 35 HE1 HIS 35 4.376 -16.540 -5.526 192 HE2 HIS 35 HE2 HIS 35 5.914 -18.551 -5.148 193 H LEU 36 H LEU 36 7.457 -12.939 -0.114 194 HA LEU 36 HA LEU 36 6.953 -13.461 2.768 195 HB2 LEU 36 1HB LEU 36 8.945 -11.530 1.539 196 HB3 LEU 36 2HB LEU 36 8.730 -11.852 3.240 197 HG LEU 36 HG LEU 36 9.855 -13.756 1.132 198 HD11 LEU 36 1HD1 LEU 36 11.967 -13.405 2.585 199 HD12 LEU 36 2HD1 LEU 36 11.103 -12.042 3.349 200 HD13 LEU 36 3HD1 LEU 36 11.442 -12.037 1.569 201 HD21 LEU 36 3HD2 LEU 36 9.807 -14.268 4.139 202 HD22 LEU 36 1HD2 LEU 36 10.350 -15.361 2.851 203 HD23 LEU 36 2HD2 LEU 36 8.589 -14.956 2.996 204 H CYS 37 H CYS 37 5.695 -11.832 3.816 205 HA CYS 37 HA CYS 37 4.863 -9.475 2.160 206 HB2 CYS 37 1HB CYS 37 3.354 -11.777 2.372 207 HB3 CYS 37 2HB CYS 37 2.663 -10.753 3.630 208 H GLY 38 H GLY 38 4.766 -11.144 5.332 209 HA2 GLY 38 1HA GLY 38 3.979 -8.666 6.637 210 HA3 GLY 38 2HA GLY 38 4.295 -10.184 7.425 211 H SER 39 H SER 39 5.676 -9.612 8.988 212 HA SER 39 HA SER 39 7.646 -7.642 8.875 213 HB2 SER 39 1HB SER 39 8.556 -8.614 10.938 214 HB3 SER 39 2HB SER 39 6.789 -8.672 10.966 215 HG SER 39 HG SER 39 7.467 -10.728 11.525 216 H HIS 40 H HIS 40 7.681 -10.970 7.816 217 HA HIS 40 HA HIS 40 10.511 -11.403 7.582 218 HB2 HIS 40 1HB HIS 40 7.985 -12.502 6.265 219 HB3 HIS 40 2HB HIS 40 9.615 -12.871 5.602 220 HD1 HIS 40 HD1 HIS 40 8.525 -15.383 6.346 221 HD2 HIS 40 HD2 HIS 40 10.019 -12.832 9.343 222 HE1 HIS 40 HE1 HIS 40 9.072 -16.825 8.327 223 HE2 HIS 40 HE2 HIS 40 9.929 -15.306 10.142 224 H LEU 41 H LEU 41 8.224 -9.569 5.485 225 HA LEU 41 HA LEU 41 9.941 -9.643 3.144 226 HB2 LEU 41 1HB LEU 41 7.482 -9.120 3.125 227 HB3 LEU 41 2HB LEU 41 7.814 -7.688 4.080 228 HG LEU 41 HG LEU 41 9.028 -6.639 2.211 229 HD11 LEU 41 1HD1 LEU 41 9.051 -7.817 -0.054 230 HD12 LEU 41 2HD1 LEU 41 8.465 -9.279 0.775 231 HD13 LEU 41 3HD1 LEU 41 10.061 -8.606 1.189 232 HD21 LEU 41 3HD2 LEU 41 7.162 -6.237 0.729 233 HD22 LEU 41 1HD2 LEU 41 6.544 -6.514 2.390 234 HD23 LEU 41 2HD2 LEU 41 6.409 -7.810 1.191 235 H VAL 42 H VAL 42 9.332 -7.117 5.681 236 HA VAL 42 HA VAL 42 11.471 -5.445 4.767 237 HB VAL 42 HB VAL 42 11.085 -4.154 6.845 238 HG11 VAL 42 1HG1 VAL 42 8.673 -3.625 6.476 239 HG12 VAL 42 2HG1 VAL 42 9.656 -3.600 5.023 240 HG13 VAL 42 3HG1 VAL 42 8.591 -4.985 5.355 241 HG21 VAL 42 3HG2 VAL 42 10.661 -5.981 8.440 242 HG22 VAL 42 1HG2 VAL 42 9.342 -4.776 8.462 243 HG23 VAL 42 2HG2 VAL 42 9.109 -6.277 7.619 244 H GLU 43 H GLU 43 11.410 -8.199 6.896 245 HA GLU 43 HA GLU 43 13.950 -7.624 8.221 246 HB2 GLU 43 1HB GLU 43 12.305 -9.208 9.119 247 HB3 GLU 43 2HB GLU 43 12.506 -10.212 7.688 248 HG2 GLU 43 1HG GLU 43 14.652 -10.880 8.236 249 HG3 GLU 43 2HG GLU 43 14.862 -9.589 9.424 250 HE2 GLU 43 HE2 GLU 43 12.409 -12.531 10.459 251 H ALA 44 H ALA 44 12.934 -9.540 5.337 252 HA ALA 44 HA ALA 44 15.579 -10.525 4.809 253 HB1 ALA 44 3HB ALA 44 13.613 -11.618 3.868 254 HB2 ALA 44 1HB ALA 44 13.057 -10.135 3.100 255 HB3 ALA 44 2HB ALA 44 14.533 -10.946 2.517 256 H LEU 45 H LEU 45 13.705 -7.625 3.913 257 HA LEU 45 HA LEU 45 15.596 -6.594 1.988 258 HB2 LEU 45 1HB LEU 45 13.226 -5.773 2.332 259 HB3 LEU 45 2HB LEU 45 13.743 -5.016 3.844 260 HG LEU 45 HG LEU 45 15.225 -3.541 2.508 261 HD11 LEU 45 1HD1 LEU 45 15.122 -3.301 0.201 262 HD12 LEU 45 2HD1 LEU 45 13.742 -4.435 0.093 263 HD13 LEU 45 3HD1 LEU 45 15.386 -4.997 0.491 264 HD21 LEU 45 3HD2 LEU 45 13.426 -2.069 1.759 265 HD22 LEU 45 1HD2 LEU 45 12.931 -2.883 3.249 266 HD23 LEU 45 2HD2 LEU 45 12.286 -3.460 1.689 267 H TYR 46 H TYR 46 15.331 -6.035 5.562 268 HA TYR 46 HA TYR 46 17.562 -4.276 5.790 269 HB2 TYR 46 1HB TYR 46 16.166 -4.742 7.687 270 HB3 TYR 46 2HB TYR 46 16.486 -6.466 7.604 271 HD1 TYR 46 HD1 TYR 46 18.223 -3.216 8.211 272 HD2 TYR 46 HD2 TYR 46 18.173 -7.447 8.859 273 HE1 TYR 46 HE1 TYR 46 20.084 -2.948 9.791 274 HE2 TYR 46 HE2 TYR 46 20.087 -7.182 10.499 275 HH TYR 46 HH TYR 46 21.644 -5.727 11.455 276 H LEU 47 H LEU 47 17.425 -7.855 5.754 277 HA LEU 47 HA LEU 47 20.216 -8.114 6.268 278 HB2 LEU 47 1HB LEU 47 18.287 -10.043 4.946 279 HB3 LEU 47 2HB LEU 47 19.940 -10.460 5.385 280 HG LEU 47 HG LEU 47 18.050 -9.426 7.469 281 HD11 LEU 47 1HD1 LEU 47 16.936 -11.302 6.204 282 HD12 LEU 47 2HD1 LEU 47 17.224 -11.730 7.893 283 HD13 LEU 47 3HD1 LEU 47 18.263 -12.393 6.618 284 HD21 LEU 47 3HD2 LEU 47 20.462 -11.276 7.503 285 HD22 LEU 47 1HD2 LEU 47 19.452 -10.964 8.916 286 HD23 LEU 47 2HD2 LEU 47 20.347 -9.649 8.136 287 H VAL 48 H VAL 48 18.440 -7.966 3.156 288 HA VAL 48 HA VAL 48 20.935 -8.540 1.737 289 HB VAL 48 HB VAL 48 18.700 -9.264 0.867 290 HG11 VAL 48 1HG1 VAL 48 18.106 -6.506 -0.194 291 HG12 VAL 48 2HG1 VAL 48 17.040 -7.919 0.064 292 HG13 VAL 48 3HG1 VAL 48 17.606 -6.982 1.435 293 HG21 VAL 48 3HG2 VAL 48 19.258 -9.100 -1.398 294 HG22 VAL 48 1HG2 VAL 48 19.934 -7.479 -1.243 295 HG23 VAL 48 2HG2 VAL 48 20.826 -8.861 -0.594 296 H CYS 49 H CYS 49 19.282 -5.636 2.750 297 HA CYS 49 HA CYS 49 20.949 -3.892 1.085 298 HB2 CYS 49 1HB CYS 49 19.310 -3.326 3.576 299 HB3 CYS 49 2HB CYS 49 20.072 -2.134 2.530 300 H GLY 50 H GLY 50 21.045 -5.207 4.410 301 HA2 GLY 50 1HA GLY 50 23.368 -5.608 5.188 302 HA3 GLY 50 2HA GLY 50 23.849 -4.030 4.589 303 H GLU 51 H GLU 51 23.118 -2.140 5.684 304 HA GLU 51 HA GLU 51 21.822 -2.460 8.329 305 HB2 GLU 51 1HB GLU 51 24.552 -3.000 8.118 306 HB3 GLU 51 2HB GLU 51 24.502 -1.265 8.514 307 HG2 GLU 51 1HG GLU 51 23.054 -1.749 10.398 308 HG3 GLU 51 2HG GLU 51 23.282 -3.472 10.160 309 HE2 GLU 51 HE2 GLU 51 26.141 -3.403 11.911 310 H GLN 52 H GLN 52 20.766 -0.616 8.767 311 HA GLN 52 HA GLN 52 21.728 1.990 7.709 312 HB2 GLN 52 1HB GLN 52 18.966 0.894 7.046 313 HB3 GLN 52 2HB GLN 52 19.589 2.523 6.677 314 HG2 GLN 52 1HG GLN 52 21.343 1.423 5.146 315 HG3 GLN 52 2HG GLN 52 20.444 -0.090 5.339 316 HE21 GLN 52 2HE2 GLN 52 18.994 -0.472 3.790 317 HE22 GLN 52 1HE2 GLN 52 18.160 0.754 2.861 318 H GLY 53 H GLY 53 18.365 2.025 8.367 319 HA2 GLY 53 1HA GLY 53 18.531 2.037 11.298 320 HA3 GLY 53 2HA GLY 53 18.304 3.622 10.548 321 H PHE 54 H PHE 54 17.174 0.286 9.848 322 HA PHE 54 HA PHE 54 14.744 1.194 8.738 323 HB2 PHE 54 1HB PHE 54 15.470 -1.526 9.936 324 HB3 PHE 54 2HB PHE 54 13.931 -1.181 9.178 325 HD1 PHE 54 HD2 PHE 54 17.618 -0.852 8.364 326 HD2 PHE 54 HD1 PHE 54 13.664 -1.625 6.921 327 HE1 PHE 54 HE2 PHE 54 18.578 -1.382 6.186 328 HE2 PHE 54 HE1 PHE 54 14.585 -2.265 4.688 329 HZ PHE 54 HZ PHE 54 17.071 -2.103 4.302 330 H PHE 55 H PHE 55 15.263 -0.307 11.935 331 HA PHE 55 HA PHE 55 12.925 1.201 12.987 332 HB2 PHE 55 1HB PHE 55 12.834 -1.540 12.171 333 HB3 PHE 55 2HB PHE 55 12.837 -1.491 13.945 334 HD1 PHE 55 HD2 PHE 55 11.024 -0.257 10.945 335 HD2 PHE 55 HD1 PHE 55 10.894 -0.697 15.214 336 HE1 PHE 55 HE2 PHE 55 8.607 0.376 10.917 337 HE2 PHE 55 HE1 PHE 55 8.515 -0.111 15.182 338 HZ PHE 55 HZ PHE 55 7.356 0.405 13.059 339 H TYR 56 H TYR 56 13.272 1.898 15.013 340 HA TYR 56 HA TYR 56 15.892 1.211 16.276 341 HB2 TYR 56 1HB TYR 56 15.093 3.554 16.243 342 HB3 TYR 56 2HB TYR 56 13.633 3.079 17.125 343 HD1 TYR 56 HD2 TYR 56 17.341 2.310 17.422 344 HD2 TYR 56 HD1 TYR 56 13.768 3.721 19.421 345 HE1 TYR 56 HE2 TYR 56 18.620 2.521 19.577 346 HE2 TYR 56 HE1 TYR 56 15.131 4.012 21.554 347 HH TYR 56 HH TYR 56 18.633 3.311 21.691 348 H THR 57 H THR 57 15.836 -0.780 17.112 349 HA THR 57 HA THR 57 13.696 -1.346 19.151 350 HB THR 57 HB THR 57 14.955 -3.468 17.362 351 HG1 THR 57 HG1 THR 57 13.422 -3.089 15.933 352 HG21 THR 57 1HG2 THR 57 12.680 -4.618 18.054 353 HG22 THR 57 2HG2 THR 57 12.549 -3.348 19.266 354 HG23 THR 57 3HG2 THR 57 13.941 -4.481 19.329 355 HA PRO 58 HA PRO 58 17.913 -1.801 20.979 356 HB2 PRO 58 1HB PRO 58 17.449 -0.635 23.412 357 HB3 PRO 58 2HB PRO 58 17.716 0.317 21.918 358 HG2 PRO 58 1HG PRO 58 15.075 -0.485 23.214 359 HG3 PRO 58 2HG PRO 58 15.625 1.163 22.700 360 HD2 PRO 58 1HD PRO 58 14.060 -0.307 21.083 361 HD3 PRO 58 2HD PRO 58 15.375 0.713 20.451 362 H LYS 59 H LYS 59 17.747 -4.028 21.046 363 HA LYS 59 HA LYS 59 16.946 -5.078 23.745 364 HB2 LYS 59 1HB LYS 59 16.160 -6.170 20.981 365 HB3 LYS 59 2HB LYS 59 16.241 -7.162 22.469 366 HG2 LYS 59 1HG LYS 59 14.575 -5.542 23.486 367 HG3 LYS 59 2HG LYS 59 14.496 -4.727 21.921 368 HD2 LYS 59 1HD LYS 59 12.663 -6.147 22.028 369 HD3 LYS 59 2HD LYS 59 13.780 -6.876 20.879 370 HE2 LYS 59 1HE LYS 59 14.493 -8.511 22.691 371 HE3 LYS 59 2HE LYS 59 13.360 -7.728 23.806 372 HZ1 LYS 59 3HZ LYS 59 12.595 -9.145 21.311 373 HZ2 LYS 59 1HZ LYS 59 11.581 -8.403 22.474 374 HZ3 LYS 59 2HZ LYS 59 12.561 -9.732 22.870 375 H THR 60 H THR 60 18.667 -6.102 24.615 376 HA THR 60 HA THR 60 21.017 -6.619 23.256 377 HB THR 60 HB THR 60 21.264 -8.337 25.265 378 HG1 THR 60 HG1 THR 60 19.139 -8.256 26.088 379 HG21 THR 60 1HG2 THR 60 22.037 -6.379 26.630 380 HG22 THR 60 2HG2 THR 60 21.185 -5.244 25.527 381 HG23 THR 60 3HG2 THR 60 22.544 -6.205 24.933 382 HXT THR 60 H02 THR 60 20.695 -9.530 21.747 Start of MODEL 36 1 H1 GLY 1 2H0 GLY 1 1.352 -1.053 0.431 2 H2 GLY 1 1H0 GLY 1 2.867 -0.571 0.610 3 HA2 GLY 1 1HA GLY 1 1.415 -0.974 -1.968 4 HA3 GLY 1 2HA GLY 1 2.804 0.027 -1.962 5 H ILE 2 H ILE 2 4.648 -1.046 -0.615 6 HA ILE 2 HA ILE 2 5.628 -2.994 -2.417 7 HB ILE 2 HB ILE 2 7.068 -1.437 -1.054 8 HG12 ILE 2 1HG1 ILE 2 7.726 -4.369 -1.255 9 HG13 ILE 2 2HG1 ILE 2 8.155 -3.096 -2.377 10 HG21 ILE 2 1HG2 ILE 2 6.042 -1.992 1.210 11 HG22 ILE 2 2HG2 ILE 2 6.990 -3.505 1.191 12 HG23 ILE 2 3HG2 ILE 2 7.794 -1.899 1.183 13 HD11 ILE 2 3HD1 ILE 2 9.583 -2.140 -0.415 14 HD12 ILE 2 1HD1 ILE 2 9.381 -3.796 0.248 15 HD13 ILE 2 2HD1 ILE 2 10.175 -3.543 -1.309 16 H VAL 3 H VAL 3 4.097 -3.577 0.764 17 HA VAL 3 HA VAL 3 4.985 -6.325 0.809 18 HB VAL 3 HB VAL 3 2.652 -5.034 2.273 19 HG11 VAL 3 1HG1 VAL 3 3.992 -7.764 2.477 20 HG12 VAL 3 2HG1 VAL 3 3.087 -6.991 3.861 21 HG13 VAL 3 3HG1 VAL 3 2.255 -7.339 2.332 22 HG21 VAL 3 3HG2 VAL 3 4.255 -4.934 4.186 23 HG22 VAL 3 1HG2 VAL 3 5.556 -5.577 3.130 24 HG23 VAL 3 2HG2 VAL 3 4.826 -3.962 2.789 25 H GLU 4 H GLU 4 1.727 -4.927 -0.013 26 HA GLU 4 HA GLU 4 0.647 -7.486 -0.883 27 HB2 GLU 4 1HB GLU 4 -1.163 -6.177 -1.935 28 HB3 GLU 4 2HB GLU 4 -0.834 -5.589 -0.329 29 HG2 GLU 4 1HG GLU 4 0.452 -3.656 -1.379 30 HG3 GLU 4 2HG GLU 4 0.007 -4.330 -2.967 31 HE2 GLU 4 HE2 GLU 4 -2.907 -2.649 -2.953 32 H GLN 5 H GLN 5 2.651 -5.016 -2.653 33 HA GLN 5 HA GLN 5 2.337 -6.412 -5.169 34 HB2 GLN 5 1HB GLN 5 4.184 -4.303 -4.164 35 HB3 GLN 5 2HB GLN 5 4.803 -5.385 -5.421 36 HG2 GLN 5 1HG GLN 5 3.965 -3.644 -6.702 37 HG3 GLN 5 2HG GLN 5 2.535 -4.722 -6.674 38 HE21 GLN 5 2HE2 GLN 5 0.706 -4.072 -5.648 39 HE22 GLN 5 1HE2 GLN 5 0.491 -2.501 -4.993 40 H CYS 6 H CYS 6 4.925 -6.730 -2.659 41 HA CYS 6 HA CYS 6 6.311 -8.640 -4.252 42 HB2 CYS 6 1HB CYS 6 6.815 -7.185 -2.035 43 HB3 CYS 6 2HB CYS 6 6.721 -8.821 -1.365 44 H CYS 7 H CYS 7 3.706 -8.920 -1.891 45 HA CYS 7 HA CYS 7 3.901 -11.737 -1.409 46 HB2 CYS 7 1HB CYS 7 2.747 -9.986 -0.076 47 HB3 CYS 7 2HB CYS 7 1.464 -9.971 -1.284 48 H THR 8 H THR 8 2.388 -9.946 -4.033 49 HA THR 8 HA THR 8 1.292 -12.470 -5.147 50 HB THR 8 HB THR 8 -0.088 -10.375 -5.126 51 HG1 THR 8 HG1 THR 8 0.576 -11.264 -7.743 52 HG21 THR 8 1HG2 THR 8 1.796 -9.413 -7.318 53 HG22 THR 8 2HG2 THR 8 1.715 -8.754 -5.630 54 HG23 THR 8 3HG2 THR 8 0.325 -8.612 -6.717 55 H SER 9 H SER 9 4.022 -10.326 -5.692 56 HA SER 9 HA SER 9 4.915 -12.326 -7.756 57 HB2 SER 9 1HB SER 9 4.806 -9.273 -8.203 58 HB3 SER 9 2HB SER 9 5.712 -10.459 -9.223 59 HG SER 9 HG SER 9 3.792 -10.347 -10.222 60 H ILE 10 H ILE 10 7.121 -12.732 -7.443 61 HA ILE 10 HA ILE 10 8.389 -11.638 -5.125 62 HB ILE 10 HB ILE 10 9.570 -13.212 -7.489 63 HG12 ILE 10 1HG1 ILE 10 8.652 -14.114 -4.720 64 HG13 ILE 10 2HG1 ILE 10 7.827 -14.439 -6.255 65 HG21 ILE 10 1HG2 ILE 10 11.520 -13.619 -6.039 66 HG22 ILE 10 2HG2 ILE 10 11.274 -11.902 -6.257 67 HG23 ILE 10 3HG2 ILE 10 10.753 -12.688 -4.722 68 HD11 ILE 10 3HD1 ILE 10 9.009 -16.379 -5.912 69 HD12 ILE 10 1HD1 ILE 10 10.160 -15.474 -6.929 70 HD13 ILE 10 2HD1 ILE 10 10.383 -15.557 -5.144 71 H CYS 11 H CYS 11 9.215 -9.683 -4.945 72 HA CYS 11 HA CYS 11 9.662 -7.947 -7.153 73 HB2 CYS 11 1HB CYS 11 11.006 -7.704 -4.419 74 HB3 CYS 11 2HB CYS 11 10.618 -6.468 -5.611 75 H SER 12 H SER 12 11.550 -7.251 -8.246 76 HA SER 12 HA SER 12 13.786 -9.090 -8.427 77 HB2 SER 12 1HB SER 12 13.782 -6.197 -9.335 78 HB3 SER 12 2HB SER 12 14.684 -7.576 -10.002 79 HG SER 12 HG SER 12 12.532 -8.441 -10.617 80 H LEU 13 H LEU 13 15.761 -8.956 -7.271 81 HA LEU 13 HA LEU 13 15.876 -7.368 -4.882 82 HB2 LEU 13 1HB LEU 13 17.475 -8.815 -4.431 83 HB3 LEU 13 2HB LEU 13 17.238 -9.500 -6.013 84 HG LEU 13 HG LEU 13 19.168 -8.116 -6.837 85 HD11 LEU 13 1HD1 LEU 13 19.608 -7.512 -3.874 86 HD12 LEU 13 2HD1 LEU 13 19.368 -6.324 -5.156 87 HD13 LEU 13 3HD1 LEU 13 20.816 -7.272 -5.180 88 HD21 LEU 13 3HD2 LEU 13 19.505 -10.379 -6.353 89 HD22 LEU 13 1HD2 LEU 13 19.348 -10.110 -4.569 90 HD23 LEU 13 2HD2 LEU 13 20.827 -9.533 -5.443 91 H TYR 14 H TYR 14 16.913 -6.764 -8.178 92 HA TYR 14 HA TYR 14 18.634 -4.576 -7.691 93 HB2 TYR 14 1HB TYR 14 18.387 -5.807 -9.870 94 HB3 TYR 14 2HB TYR 14 16.757 -5.128 -10.041 95 HD1 TYR 14 HD1 TYR 14 20.407 -4.423 -10.168 96 HD2 TYR 14 HD2 TYR 14 16.491 -2.670 -10.719 97 HE1 TYR 14 HE1 TYR 14 21.402 -2.531 -11.477 98 HE2 TYR 14 HE2 TYR 14 17.580 -0.788 -11.989 99 HH TYR 14 HH TYR 14 19.636 0.212 -12.686 100 H GLN 15 H GLN 15 15.067 -4.779 -7.959 101 HA GLN 15 HA GLN 15 14.986 -1.862 -7.801 102 HB2 GLN 15 1HB GLN 15 13.317 -3.363 -9.094 103 HB3 GLN 15 2HB GLN 15 12.637 -3.760 -7.500 104 HG2 GLN 15 1HG GLN 15 12.241 -1.317 -7.079 105 HG3 GLN 15 2HG GLN 15 12.818 -1.003 -8.707 106 HE21 GLN 15 2HE2 GLN 15 11.389 -1.066 -10.357 107 HE22 GLN 15 1HE2 GLN 15 9.760 -1.763 -10.300 108 H LEU 16 H LEU 16 14.429 -4.664 -5.711 109 HA LEU 16 HA LEU 16 13.269 -3.448 -3.482 110 HB2 LEU 16 1HB LEU 16 13.556 -5.842 -4.085 111 HB3 LEU 16 2HB LEU 16 15.199 -5.742 -3.441 112 HG LEU 16 HG LEU 16 13.985 -4.838 -1.302 113 HD11 LEU 16 1HD1 LEU 16 11.706 -4.888 -2.436 114 HD12 LEU 16 2HD1 LEU 16 11.838 -5.624 -0.835 115 HD13 LEU 16 3HD1 LEU 16 11.803 -6.656 -2.298 116 HD21 LEU 16 3HD2 LEU 16 15.357 -6.768 -1.273 117 HD22 LEU 16 1HD2 LEU 16 14.206 -7.706 -2.231 118 HD23 LEU 16 2HD2 LEU 16 13.817 -7.287 -0.565 119 H GLU 17 H GLU 17 16.690 -3.755 -4.456 120 HA GLU 17 HA GLU 17 17.877 -2.816 -2.054 121 HB2 GLU 17 1HB GLU 17 18.635 -2.895 -4.966 122 HB3 GLU 17 2HB GLU 17 19.548 -1.830 -3.908 123 HG2 GLU 17 1HG GLU 17 19.128 -4.773 -3.519 124 HG3 GLU 17 2HG GLU 17 20.613 -4.037 -4.044 125 HE2 GLU 17 HE2 GLU 17 21.031 -2.147 -2.585 126 H ASN 18 H ASN 18 16.180 -1.016 -4.576 127 HA ASN 18 HA ASN 18 17.313 1.579 -3.916 128 HB2 ASN 18 1HB ASN 18 16.273 0.765 -6.107 129 HB3 ASN 18 2HB ASN 18 14.688 1.026 -5.373 130 HD21 ASN 18 2HD2 ASN 18 13.927 2.771 -6.287 131 HD22 ASN 18 1HD2 ASN 18 14.770 4.300 -6.447 132 H TYR 19 H TYR 19 14.963 -0.401 -2.419 133 HA TYR 19 HA TYR 19 13.440 1.847 -1.189 134 HB2 TYR 19 1HB TYR 19 13.562 -1.172 -0.599 135 HB3 TYR 19 2HB TYR 19 12.526 -0.037 0.244 136 HD1 TYR 19 HD2 TYR 19 13.167 -1.374 -3.236 137 HD2 TYR 19 HD1 TYR 19 10.333 0.456 -0.615 138 HE1 TYR 19 HE2 TYR 19 11.366 -1.732 -4.895 139 HE2 TYR 19 HE1 TYR 19 8.551 0.110 -2.296 140 HH TYR 19 HH TYR 19 9.069 -1.431 -5.376 141 H CYS 20 H CYS 20 16.425 0.079 -0.828 142 HA CYS 20 HA CYS 20 16.611 0.572 2.056 143 HB2 CYS 20 1HB CYS 20 17.596 -1.491 0.841 144 HB3 CYS 20 2HB CYS 20 18.829 -0.369 0.202 145 H ASN 21 H ASN 21 17.446 2.374 2.917 146 HA ASN 21 HA ASN 21 18.219 4.576 1.099 147 HB2 ASN 21 1HB ASN 21 16.764 4.984 3.138 148 HB3 ASN 21 2HB ASN 21 18.132 4.567 4.200 149 HD21 ASN 21 2HD2 ASN 21 18.294 6.688 5.102 150 HD22 ASN 21 1HD2 ASN 21 18.720 8.077 4.147 151 HXT ASN 21 H02 ASN 21 19.829 3.050 0.611 152 H1 PHE 31 2H0 PHE 31 17.213 -12.923 -10.298 153 H2 PHE 31 1H0 PHE 31 16.040 -14.049 -10.488 154 HA PHE 31 HA PHE 31 17.142 -14.244 -8.355 155 HB2 PHE 31 1HB PHE 31 17.806 -11.770 -8.480 156 HB3 PHE 31 2HB PHE 31 16.182 -11.486 -7.798 157 HD1 PHE 31 HD1 PHE 31 19.369 -13.387 -7.086 158 HD2 PHE 31 HD2 PHE 31 15.794 -11.672 -5.466 159 HE1 PHE 31 HE1 PHE 31 20.130 -13.829 -4.804 160 HE2 PHE 31 HE2 PHE 31 16.530 -12.100 -3.222 161 HZ PHE 31 HZ PHE 31 18.814 -13.138 -2.881 162 H VAL 32 H VAL 32 16.229 -15.334 -6.718 163 HA VAL 32 HA VAL 32 13.291 -14.872 -6.238 164 HB VAL 32 HB VAL 32 13.449 -17.112 -6.937 165 HG11 VAL 32 1HG1 VAL 32 15.918 -17.355 -6.785 166 HG12 VAL 32 2HG1 VAL 32 15.780 -17.622 -5.024 167 HG13 VAL 32 3HG1 VAL 32 15.063 -18.785 -6.179 168 HG21 VAL 32 3HG2 VAL 32 12.208 -16.769 -4.701 169 HG22 VAL 32 1HG2 VAL 32 12.649 -18.427 -5.110 170 HG23 VAL 32 2HG2 VAL 32 13.573 -17.524 -3.920 171 H ASN 33 H ASN 33 12.791 -13.862 -4.529 172 HA ASN 33 HA ASN 33 14.679 -13.797 -2.206 173 HB2 ASN 33 1HB ASN 33 14.386 -11.649 -3.653 174 HB3 ASN 33 2HB ASN 33 12.720 -11.647 -3.061 175 HD21 ASN 33 2HD2 ASN 33 12.528 -10.113 -1.575 176 HD22 ASN 33 1HD2 ASN 33 13.668 -9.798 -0.304 177 H GLN 34 H GLN 34 12.202 -15.376 -3.141 178 HA GLN 34 HA GLN 34 10.201 -16.224 -2.452 179 HB2 GLN 34 1HB GLN 34 10.850 -15.084 0.299 180 HB3 GLN 34 2HB GLN 34 9.690 -16.343 -0.101 181 HG2 GLN 34 1HG GLN 34 11.648 -17.855 -0.759 182 HG3 GLN 34 2HG GLN 34 12.759 -16.532 -0.288 183 HE21 GLN 34 2HE2 GLN 34 13.405 -18.551 1.113 184 HE22 GLN 34 1HE2 GLN 34 12.690 -18.614 2.706 185 H HIS 35 H HIS 35 8.068 -15.274 -1.070 186 HA HIS 35 HA HIS 35 7.610 -12.717 -2.487 187 HB2 HIS 35 1HB HIS 35 5.787 -14.649 -1.061 188 HB3 HIS 35 2HB HIS 35 5.262 -13.102 -1.749 189 HD1 HIS 35 HD1 HIS 35 5.463 -12.762 -4.377 190 HD2 HIS 35 HD2 HIS 35 5.819 -16.713 -3.046 191 HE1 HIS 35 HE1 HIS 35 5.068 -14.254 -6.422 192 HE2 HIS 35 HE2 HIS 35 5.317 -16.616 -5.585 193 H LEU 36 H LEU 36 6.891 -14.078 0.718 194 HA LEU 36 HA LEU 36 6.619 -13.227 2.853 195 HB2 LEU 36 1HB LEU 36 7.986 -10.700 1.964 196 HB3 LEU 36 2HB LEU 36 7.652 -11.185 3.594 197 HG LEU 36 HG LEU 36 9.865 -11.647 3.541 198 HD11 LEU 36 1HD1 LEU 36 10.399 -14.000 3.348 199 HD12 LEU 36 2HD1 LEU 36 8.949 -14.306 2.366 200 HD13 LEU 36 3HD1 LEU 36 8.780 -13.847 4.080 201 HD21 LEU 36 3HD2 LEU 36 9.788 -12.611 0.659 202 HD22 LEU 36 1HD2 LEU 36 11.204 -12.209 1.610 203 HD23 LEU 36 2HD2 LEU 36 10.074 -10.940 1.118 204 H CYS 37 H CYS 37 5.168 -11.946 4.084 205 HA CYS 37 HA CYS 37 3.480 -10.046 2.584 206 HB2 CYS 37 1HB CYS 37 2.846 -12.649 2.283 207 HB3 CYS 37 2HB CYS 37 1.985 -12.396 3.755 208 H GLY 38 H GLY 38 5.211 -9.691 4.778 209 HA2 GLY 38 1HA GLY 38 3.349 -8.863 6.881 210 HA3 GLY 38 2HA GLY 38 4.296 -10.296 7.356 211 H SER 39 H SER 39 5.211 -8.737 8.977 212 HA SER 39 HA SER 39 7.184 -6.834 8.282 213 HB2 SER 39 1HB SER 39 7.333 -8.840 10.518 214 HB3 SER 39 2HB SER 39 8.214 -7.264 10.377 215 HG SER 39 HG SER 39 6.387 -7.037 11.656 216 H HIS 40 H HIS 40 7.252 -10.279 7.740 217 HA HIS 40 HA HIS 40 10.001 -10.866 7.722 218 HB2 HIS 40 1HB HIS 40 7.649 -11.906 6.132 219 HB3 HIS 40 2HB HIS 40 9.285 -12.491 5.858 220 HD1 HIS 40 HD1 HIS 40 7.747 -14.803 6.655 221 HD2 HIS 40 HD2 HIS 40 9.051 -12.093 9.590 222 HE1 HIS 40 HE1 HIS 40 7.724 -16.044 8.867 223 HE2 HIS 40 HE2 HIS 40 8.487 -14.418 10.655 224 H LEU 41 H LEU 41 8.106 -8.896 5.367 225 HA LEU 41 HA LEU 41 10.019 -9.177 3.289 226 HB2 LEU 41 1HB LEU 41 7.681 -8.368 2.945 227 HB3 LEU 41 2HB LEU 41 8.094 -6.838 3.726 228 HG LEU 41 HG LEU 41 9.691 -6.309 1.936 229 HD11 LEU 41 1HD1 LEU 41 8.670 -8.829 0.435 230 HD12 LEU 41 2HD1 LEU 41 10.186 -8.850 1.372 231 HD13 LEU 41 3HD1 LEU 41 10.049 -7.733 -0.019 232 HD21 LEU 41 3HD2 LEU 41 6.995 -7.227 0.872 233 HD22 LEU 41 1HD2 LEU 41 8.095 -6.082 0.039 234 HD23 LEU 41 2HD2 LEU 41 7.377 -5.596 1.587 235 H VAL 42 H VAL 42 9.615 -6.502 5.711 236 HA VAL 42 HA VAL 42 11.933 -5.173 4.679 237 HB VAL 42 HB VAL 42 11.875 -3.817 6.754 238 HG11 VAL 42 1HG1 VAL 42 10.522 -3.105 4.927 239 HG12 VAL 42 2HG1 VAL 42 9.232 -4.300 5.305 240 HG13 VAL 42 3HG1 VAL 42 9.518 -2.923 6.391 241 HG21 VAL 42 3HG2 VAL 42 11.222 -5.602 8.332 242 HG22 VAL 42 1HG2 VAL 42 10.201 -4.145 8.447 243 HG23 VAL 42 2HG2 VAL 42 9.599 -5.608 7.619 244 H GLU 43 H GLU 43 11.367 -7.813 7.034 245 HA GLU 43 HA GLU 43 14.012 -7.739 8.204 246 HB2 GLU 43 1HB GLU 43 11.971 -9.103 8.954 247 HB3 GLU 43 2HB GLU 43 12.290 -10.220 7.638 248 HG2 GLU 43 1HG GLU 43 14.502 -10.799 8.582 249 HG3 GLU 43 2HG GLU 43 14.250 -9.617 9.913 250 HE2 GLU 43 HE2 GLU 43 14.752 -11.779 10.726 251 H ALA 44 H ALA 44 12.753 -9.318 5.252 252 HA ALA 44 HA ALA 44 15.173 -10.572 4.451 253 HB1 ALA 44 3HB ALA 44 12.791 -9.587 2.805 254 HB2 ALA 44 1HB ALA 44 14.033 -10.772 2.276 255 HB3 ALA 44 2HB ALA 44 12.882 -11.159 3.624 256 H LEU 45 H LEU 45 13.617 -7.438 3.764 257 HA LEU 45 HA LEU 45 15.442 -6.504 1.821 258 HB2 LEU 45 1HB LEU 45 13.126 -5.579 2.904 259 HB3 LEU 45 2HB LEU 45 14.272 -4.529 3.755 260 HG LEU 45 HG LEU 45 14.245 -4.980 0.745 261 HD11 LEU 45 1HD1 LEU 45 12.796 -2.780 2.249 262 HD12 LEU 45 2HD1 LEU 45 11.994 -4.240 1.619 263 HD13 LEU 45 3HD1 LEU 45 12.764 -3.105 0.495 264 HD21 LEU 45 3HD2 LEU 45 16.242 -3.889 1.546 265 HD22 LEU 45 1HD2 LEU 45 15.275 -2.692 2.439 266 HD23 LEU 45 2HD2 LEU 45 15.225 -2.716 0.660 267 H TYR 46 H TYR 46 15.530 -6.325 5.356 268 HA TYR 46 HA TYR 46 17.901 -4.718 5.522 269 HB2 TYR 46 1HB TYR 46 16.470 -5.075 7.463 270 HB3 TYR 46 2HB TYR 46 16.719 -6.802 7.427 271 HD1 TYR 46 HD1 TYR 46 18.607 -3.585 7.824 272 HD2 TYR 46 HD2 TYR 46 18.464 -7.779 8.721 273 HE1 TYR 46 HE1 TYR 46 20.580 -3.340 9.276 274 HE2 TYR 46 HE2 TYR 46 20.473 -7.601 10.103 275 HH TYR 46 HH TYR 46 22.223 -4.500 10.609 276 H LEU 47 H LEU 47 17.325 -8.289 5.530 277 HA LEU 47 HA LEU 47 20.072 -8.932 6.037 278 HB2 LEU 47 1HB LEU 47 17.815 -10.460 4.744 279 HB3 LEU 47 2HB LEU 47 19.451 -11.173 4.957 280 HG LEU 47 HG LEU 47 17.799 -9.992 7.239 281 HD11 LEU 47 1HD1 LEU 47 16.927 -12.194 7.704 282 HD12 LEU 47 2HD1 LEU 47 17.744 -12.866 6.245 283 HD13 LEU 47 3HD1 LEU 47 16.446 -11.676 6.079 284 HD21 LEU 47 3HD2 LEU 47 19.135 -11.559 8.648 285 HD22 LEU 47 1HD2 LEU 47 20.204 -10.490 7.715 286 HD23 LEU 47 2HD2 LEU 47 19.978 -12.152 7.187 287 H VAL 48 H VAL 48 18.394 -8.325 2.948 288 HA VAL 48 HA VAL 48 20.731 -9.208 1.425 289 HB VAL 48 HB VAL 48 18.484 -9.497 0.448 290 HG11 VAL 48 1HG1 VAL 48 18.352 -6.444 0.211 291 HG12 VAL 48 2HG1 VAL 48 17.197 -7.640 -0.420 292 HG13 VAL 48 3HG1 VAL 48 17.432 -7.473 1.303 293 HG21 VAL 48 3HG2 VAL 48 20.058 -7.513 -1.254 294 HG22 VAL 48 1HG2 VAL 48 20.516 -9.242 -0.989 295 HG23 VAL 48 2HG2 VAL 48 18.996 -8.808 -1.760 296 H CYS 49 H CYS 49 19.378 -6.156 2.555 297 HA CYS 49 HA CYS 49 21.255 -4.593 1.008 298 HB2 CYS 49 1HB CYS 49 19.037 -3.766 1.890 299 HB3 CYS 49 2HB CYS 49 19.728 -3.819 3.503 300 H GLY 50 H GLY 50 21.440 -6.278 4.084 301 HA2 GLY 50 1HA GLY 50 23.354 -6.770 5.246 302 HA3 GLY 50 2HA GLY 50 24.314 -5.589 4.287 303 H GLU 51 H GLU 51 23.653 -3.149 4.730 304 HA GLU 51 HA GLU 51 22.886 -2.757 7.530 305 HB2 GLU 51 1HB GLU 51 25.606 -3.175 6.813 306 HB3 GLU 51 2HB GLU 51 25.431 -1.459 7.157 307 HG2 GLU 51 1HG GLU 51 24.091 -2.684 9.319 308 HG3 GLU 51 2HG GLU 51 25.567 -3.648 8.999 309 HE2 GLU 51 HE2 GLU 51 24.768 -0.378 8.927 310 H GLN 52 H GLN 52 22.697 -1.461 4.507 311 HA GLN 52 HA GLN 52 23.246 1.335 5.222 312 HB2 GLN 52 1HB GLN 52 22.458 -0.063 2.673 313 HB3 GLN 52 2HB GLN 52 22.313 1.666 2.792 314 HG2 GLN 52 1HG GLN 52 24.950 0.387 3.555 315 HG3 GLN 52 2HG GLN 52 24.502 0.457 1.828 316 HE21 GLN 52 2HE2 GLN 52 25.498 2.103 0.878 317 HE22 GLN 52 1HE2 GLN 52 25.713 3.666 1.592 318 H GLY 53 H GLY 53 20.821 -0.608 6.115 319 HA2 GLY 53 1HA GLY 53 19.040 1.737 6.457 320 HA3 GLY 53 2HA GLY 53 18.338 0.490 5.399 321 H PHE 54 H PHE 54 17.270 1.316 7.717 322 HA PHE 54 HA PHE 54 16.042 0.471 9.434 323 HB2 PHE 54 1HB PHE 54 17.071 -2.309 8.833 324 HB3 PHE 54 2HB PHE 54 15.644 -1.852 9.792 325 HD1 PHE 54 HD2 PHE 54 13.634 -0.803 8.605 326 HD2 PHE 54 HD1 PHE 54 17.067 -2.499 6.548 327 HE1 PHE 54 HE2 PHE 54 12.282 -0.914 6.473 328 HE2 PHE 54 HE1 PHE 54 15.718 -2.664 4.462 329 HZ PHE 54 HZ PHE 54 13.343 -1.924 4.379 330 H PHE 55 H PHE 55 16.241 0.317 11.632 331 HA PHE 55 HA PHE 55 18.896 -0.520 12.650 332 HB2 PHE 55 1HB PHE 55 18.949 1.877 12.092 333 HB3 PHE 55 2HB PHE 55 17.561 2.191 13.119 334 HD1 PHE 55 HD1 PHE 55 21.055 0.794 13.166 335 HD2 PHE 55 HD2 PHE 55 17.925 2.695 15.435 336 HE1 PHE 55 HE1 PHE 55 22.596 1.095 15.153 337 HE2 PHE 55 HE2 PHE 55 19.464 2.882 17.382 338 HZ PHE 55 HZ PHE 55 21.785 2.167 17.199 339 H TYR 56 H TYR 56 18.724 -1.615 14.485 340 HA TYR 56 HA TYR 56 16.287 -1.110 16.185 341 HB2 TYR 56 1HB TYR 56 15.643 -2.987 14.911 342 HB3 TYR 56 2HB TYR 56 17.198 -3.844 15.123 343 HD1 TYR 56 HD2 TYR 56 14.150 -2.734 16.955 344 HD2 TYR 56 HD1 TYR 56 17.698 -5.147 17.090 345 HE1 TYR 56 HE2 TYR 56 13.294 -3.839 19.046 346 HE2 TYR 56 HE1 TYR 56 16.820 -6.255 19.127 347 HH TYR 56 HH TYR 56 13.600 -5.577 20.518 348 H THR 57 H THR 57 16.606 -1.216 18.318 349 HA THR 57 HA THR 57 19.195 -2.304 19.282 350 HB THR 57 HB THR 57 19.121 -0.633 21.173 351 HG1 THR 57 HG1 THR 57 16.903 -0.043 20.997 352 HG21 THR 57 1HG2 THR 57 19.228 0.603 18.410 353 HG22 THR 57 2HG2 THR 57 20.561 -0.331 19.139 354 HG23 THR 57 3HG2 THR 57 19.999 1.191 19.909 355 HA PRO 58 HA PRO 58 16.305 -4.550 21.692 356 HB2 PRO 58 1HB PRO 58 17.827 -5.944 23.321 357 HB3 PRO 58 2HB PRO 58 17.861 -6.342 21.628 358 HG2 PRO 58 1HG PRO 58 19.820 -4.672 23.171 359 HG3 PRO 58 2HG PRO 58 20.152 -5.966 21.955 360 HD2 PRO 58 1HD PRO 58 20.217 -3.351 21.341 361 HD3 PRO 58 2HD PRO 58 19.666 -4.580 20.153 362 H LYS 59 H LYS 59 15.761 -4.880 24.097 363 HA LYS 59 HA LYS 59 16.627 -2.490 25.728 364 HB2 LYS 59 1HB LYS 59 14.411 -2.611 26.853 365 HB3 LYS 59 2HB LYS 59 14.312 -2.088 25.172 366 HG2 LYS 59 1HG LYS 59 13.506 -4.258 24.456 367 HG3 LYS 59 2HG LYS 59 13.764 -4.955 26.076 368 HD2 LYS 59 1HD LYS 59 11.388 -4.426 25.928 369 HD3 LYS 59 2HD LYS 59 12.119 -3.172 26.940 370 HE2 LYS 59 1HE LYS 59 12.237 -1.670 24.968 371 HE3 LYS 59 2HE LYS 59 11.413 -2.920 24.010 372 HZ1 LYS 59 3HZ LYS 59 9.568 -2.711 25.650 373 HZ2 LYS 59 1HZ LYS 59 9.830 -1.352 24.691 374 HZ3 LYS 59 2HZ LYS 59 10.368 -1.353 26.253 375 H THR 60 H THR 60 17.783 -5.194 25.508 376 HA THR 60 HA THR 60 17.173 -6.782 27.847 377 HB THR 60 HB THR 60 19.561 -7.636 27.185 378 HG1 THR 60 HG1 THR 60 20.089 -6.882 24.949 379 HG21 THR 60 1HG2 THR 60 17.489 -7.626 24.890 380 HG22 THR 60 2HG2 THR 60 17.287 -8.669 26.371 381 HG23 THR 60 3HG2 THR 60 18.688 -8.922 25.274 382 HXT THR 60 H02 THR 60 19.101 -5.587 30.156 Start of MODEL 37 1 H1 GLY 1 2H0 GLY 1 0.711 0.935 -2.603 2 H2 GLY 1 1H0 GLY 1 1.338 -0.241 -3.562 3 HA2 GLY 1 1HA GLY 1 3.104 1.038 -2.472 4 HA3 GLY 1 2HA GLY 1 2.396 0.520 -0.901 5 H ILE 2 H ILE 2 4.918 -0.080 -1.010 6 HA ILE 2 HA ILE 2 5.971 -2.058 -2.585 7 HB ILE 2 HB ILE 2 7.341 -0.696 -1.063 8 HG12 ILE 2 1HG1 ILE 2 7.741 -3.673 -0.515 9 HG13 ILE 2 2HG1 ILE 2 8.386 -2.709 -1.895 10 HG21 ILE 2 1HG2 ILE 2 5.623 -0.993 0.946 11 HG22 ILE 2 2HG2 ILE 2 6.602 -2.422 1.358 12 HG23 ILE 2 3HG2 ILE 2 7.325 -0.816 1.321 13 HD11 ILE 2 3HD1 ILE 2 10.232 -2.809 -0.531 14 HD12 ILE 2 1HD1 ILE 2 9.521 -1.208 -0.077 15 HD13 ILE 2 2HD1 ILE 2 9.280 -2.659 1.005 16 H VAL 3 H VAL 3 4.385 -2.778 0.591 17 HA VAL 3 HA VAL 3 4.841 -5.624 0.211 18 HB VAL 3 HB VAL 3 4.678 -4.494 2.483 19 HG11 VAL 3 1HG1 VAL 3 1.643 -4.352 2.011 20 HG12 VAL 3 2HG1 VAL 3 2.493 -3.992 3.521 21 HG13 VAL 3 3HG1 VAL 3 2.721 -2.961 2.103 22 HG21 VAL 3 3HG2 VAL 3 2.645 -6.670 2.117 23 HG22 VAL 3 1HG2 VAL 3 4.419 -6.911 2.081 24 HG23 VAL 3 2HG2 VAL 3 3.668 -6.288 3.544 25 H GLU 4 H GLU 4 2.202 -3.416 -0.565 26 HA GLU 4 HA GLU 4 0.096 -5.279 -1.028 27 HB2 GLU 4 1HB GLU 4 0.656 -2.656 -2.503 28 HB3 GLU 4 2HB GLU 4 -0.863 -3.580 -2.543 29 HG2 GLU 4 1HG GLU 4 -1.153 -3.275 -0.188 30 HG3 GLU 4 2HG GLU 4 0.294 -2.318 -0.060 31 HE2 GLU 4 HE2 GLU 4 -0.512 -0.602 0.507 32 H GLN 5 H GLN 5 2.627 -3.826 -3.118 33 HA GLN 5 HA GLN 5 1.949 -5.421 -5.418 34 HB2 GLN 5 1HB GLN 5 4.556 -3.992 -4.597 35 HB3 GLN 5 2HB GLN 5 4.294 -4.695 -6.183 36 HG2 GLN 5 1HG GLN 5 2.352 -3.279 -6.542 37 HG3 GLN 5 2HG GLN 5 2.576 -2.499 -4.978 38 HE21 GLN 5 2HE2 GLN 5 2.914 -0.478 -6.023 39 HE22 GLN 5 1HE2 GLN 5 4.332 -0.120 -6.907 40 H CYS 6 H CYS 6 4.489 -5.894 -2.817 41 HA CYS 6 HA CYS 6 5.426 -8.217 -4.292 42 HB2 CYS 6 1HB CYS 6 6.647 -6.721 -2.638 43 HB3 CYS 6 2HB CYS 6 5.964 -7.797 -1.406 44 H CYS 7 H CYS 7 2.727 -7.902 -2.123 45 HA CYS 7 HA CYS 7 2.633 -10.764 -1.594 46 HB2 CYS 7 1HB CYS 7 0.700 -8.505 -0.972 47 HB3 CYS 7 2HB CYS 7 0.366 -10.204 -0.552 48 H THR 8 H THR 8 1.398 -8.563 -4.041 49 HA THR 8 HA THR 8 -0.355 -10.789 -5.034 50 HB THR 8 HB THR 8 -1.303 -8.534 -4.730 51 HG1 THR 8 HG1 THR 8 -1.839 -8.590 -7.286 52 HG21 THR 8 1HG2 THR 8 0.767 -7.322 -5.625 53 HG22 THR 8 2HG2 THR 8 -0.805 -6.798 -6.316 54 HG23 THR 8 3HG2 THR 8 0.271 -7.873 -7.248 55 H SER 9 H SER 9 2.671 -9.158 -5.910 56 HA SER 9 HA SER 9 2.890 -11.106 -8.167 57 HB2 SER 9 1HB SER 9 3.750 -8.206 -8.216 58 HB3 SER 9 2HB SER 9 4.137 -9.393 -9.482 59 HG SER 9 HG SER 9 1.468 -9.193 -8.757 60 H ILE 10 H ILE 10 5.429 -11.432 -8.481 61 HA ILE 10 HA ILE 10 6.605 -11.368 -5.757 62 HB ILE 10 HB ILE 10 7.486 -12.736 -8.360 63 HG12 ILE 10 1HG1 ILE 10 6.668 -13.890 -5.667 64 HG13 ILE 10 2HG1 ILE 10 5.573 -13.832 -7.060 65 HG21 ILE 10 1HG2 ILE 10 9.570 -12.080 -7.192 66 HG22 ILE 10 2HG2 ILE 10 8.943 -12.649 -5.645 67 HG23 ILE 10 3HG2 ILE 10 9.324 -13.804 -6.937 68 HD11 ILE 10 3HD1 ILE 10 7.259 -15.280 -8.320 69 HD12 ILE 10 1HD1 ILE 10 7.946 -15.641 -6.734 70 HD13 ILE 10 2HD1 ILE 10 6.248 -16.032 -7.064 71 H CYS 11 H CYS 11 8.012 -10.010 -5.075 72 HA CYS 11 HA CYS 11 9.367 -8.205 -6.997 73 HB2 CYS 11 1HB CYS 11 9.793 -6.684 -5.251 74 HB3 CYS 11 2HB CYS 11 8.084 -7.091 -5.199 75 H SER 12 H SER 12 11.209 -9.021 -7.651 76 HA SER 12 HA SER 12 12.611 -11.076 -6.125 77 HB2 SER 12 1HB SER 12 13.353 -9.561 -8.655 78 HB3 SER 12 2HB SER 12 14.054 -11.119 -8.093 79 HG SER 12 HG SER 12 12.449 -11.561 -9.592 80 H LEU 13 H LEU 13 15.007 -10.886 -5.879 81 HA LEU 13 HA LEU 13 15.920 -8.955 -4.187 82 HB2 LEU 13 1HB LEU 13 17.158 -11.087 -4.558 83 HB3 LEU 13 2HB LEU 13 17.523 -10.608 -6.207 84 HG LEU 13 HG LEU 13 18.966 -8.755 -5.400 85 HD11 LEU 13 1HD1 LEU 13 19.705 -8.763 -3.054 86 HD12 LEU 13 2HD1 LEU 13 18.559 -10.076 -2.684 87 HD13 LEU 13 3HD1 LEU 13 17.971 -8.454 -3.150 88 HD21 LEU 13 3HD2 LEU 13 20.839 -10.177 -4.698 89 HD22 LEU 13 1HD2 LEU 13 20.009 -10.788 -6.078 90 HD23 LEU 13 2HD2 LEU 13 19.712 -11.535 -4.513 91 H TYR 14 H TYR 14 16.410 -8.924 -7.793 92 HA TYR 14 HA TYR 14 18.046 -6.643 -7.971 93 HB2 TYR 14 1HB TYR 14 17.275 -8.275 -9.773 94 HB3 TYR 14 2HB TYR 14 15.796 -7.354 -9.850 95 HD1 TYR 14 HD2 TYR 14 19.508 -6.970 -10.173 96 HD2 TYR 14 HD1 TYR 14 15.682 -5.395 -11.194 97 HE1 TYR 14 HE2 TYR 14 20.579 -5.268 -11.656 98 HE2 TYR 14 HE1 TYR 14 16.734 -3.696 -12.668 99 HH TYR 14 HH TYR 14 20.280 -3.360 -12.873 100 H GLN 15 H GLN 15 14.464 -6.773 -7.571 101 HA GLN 15 HA GLN 15 14.226 -3.847 -7.797 102 HB2 GLN 15 1HB GLN 15 12.433 -5.502 -8.472 103 HB3 GLN 15 2HB GLN 15 12.133 -5.800 -6.763 104 HG2 GLN 15 1HG GLN 15 11.749 -3.246 -6.580 105 HG3 GLN 15 2HG GLN 15 11.741 -3.207 -8.337 106 HE21 GLN 15 2HE2 GLN 15 10.130 -4.575 -9.445 107 HE22 GLN 15 1HE2 GLN 15 8.572 -4.812 -8.674 108 H LEU 16 H LEU 16 14.233 -6.328 -5.266 109 HA LEU 16 HA LEU 16 13.382 -4.693 -3.122 110 HB2 LEU 16 1HB LEU 16 13.582 -7.226 -3.157 111 HB3 LEU 16 2HB LEU 16 15.316 -6.966 -2.891 112 HG LEU 16 HG LEU 16 14.634 -5.730 -0.757 113 HD11 LEU 16 1HD1 LEU 16 12.284 -5.258 -1.266 114 HD12 LEU 16 2HD1 LEU 16 12.358 -6.269 0.167 115 HD13 LEU 16 3HD1 LEU 16 11.916 -6.984 -1.401 116 HD21 LEU 16 3HD2 LEU 16 14.341 -7.681 0.585 117 HD22 LEU 16 1HD2 LEU 16 15.517 -8.017 -0.695 118 HD23 LEU 16 2HD2 LEU 16 13.827 -8.641 -0.828 119 H GLU 17 H GLU 17 16.637 -5.395 -4.263 120 HA GLU 17 HA GLU 17 18.221 -4.010 -2.391 121 HB2 GLU 17 1HB GLU 17 18.424 -4.485 -5.394 122 HB3 GLU 17 2HB GLU 17 19.699 -3.649 -4.454 123 HG2 GLU 17 1HG GLU 17 20.079 -5.554 -3.088 124 HG3 GLU 17 2HG GLU 17 18.698 -6.404 -3.784 125 HE2 GLU 17 HE2 GLU 17 21.390 -6.962 -3.678 126 H ASN 18 H ASN 18 16.213 -2.661 -5.117 127 HA ASN 18 HA ASN 18 17.630 -0.128 -5.133 128 HB2 ASN 18 1HB ASN 18 15.736 -1.282 -6.710 129 HB3 ASN 18 2HB ASN 18 14.736 -0.141 -5.817 130 HD21 ASN 18 2HD2 ASN 18 15.015 0.209 -8.521 131 HD22 ASN 18 1HD2 ASN 18 16.053 1.601 -8.845 132 H TYR 19 H TYR 19 15.345 -1.437 -2.927 133 HA TYR 19 HA TYR 19 14.212 1.153 -2.178 134 HB2 TYR 19 1HB TYR 19 14.090 -1.624 -0.974 135 HB3 TYR 19 2HB TYR 19 13.338 -0.201 -0.233 136 HD1 TYR 19 HD1 TYR 19 11.358 0.868 -1.345 137 HD2 TYR 19 HD2 TYR 19 13.180 -2.663 -2.984 138 HE1 TYR 19 HE1 TYR 19 9.303 0.444 -2.772 139 HE2 TYR 19 HE2 TYR 19 11.196 -3.108 -4.340 140 HH TYR 19 HH TYR 19 9.078 -2.366 -5.024 141 H CYS 20 H CYS 20 17.070 -0.560 -1.733 142 HA CYS 20 HA CYS 20 17.775 0.936 0.742 143 HB2 CYS 20 1HB CYS 20 18.873 -1.653 -0.467 144 HB3 CYS 20 2HB CYS 20 19.697 -0.799 0.863 145 H ASN 21 H ASN 21 17.611 2.105 -1.731 146 HA ASN 21 HA ASN 21 20.488 2.505 -2.469 147 HB2 ASN 21 1HB ASN 21 18.862 2.007 -4.403 148 HB3 ASN 21 2HB ASN 21 17.909 3.376 -3.944 149 HD21 ASN 21 2HD2 ASN 21 18.253 4.852 -5.420 150 HD22 ASN 21 1HD2 ASN 21 19.820 5.334 -5.964 151 HXT ASN 21 H02 ASN 21 20.616 5.470 -1.176 152 H1 PHE 31 2H0 PHE 31 18.323 -13.819 -3.574 153 H2 PHE 31 1H0 PHE 31 19.358 -13.818 -2.266 154 HA PHE 31 HA PHE 31 18.309 -16.031 -1.756 155 HB2 PHE 31 1HB PHE 31 16.939 -15.075 -0.204 156 HB3 PHE 31 2HB PHE 31 18.224 -13.911 -0.449 157 HD1 PHE 31 HD1 PHE 31 17.734 -11.814 -1.793 158 HD2 PHE 31 HD2 PHE 31 14.691 -14.645 -0.682 159 HE1 PHE 31 HE1 PHE 31 15.946 -10.161 -2.359 160 HE2 PHE 31 HE2 PHE 31 12.965 -12.962 -1.271 161 HZ PHE 31 HZ PHE 31 13.514 -10.752 -2.033 162 H VAL 32 H VAL 32 16.090 -16.847 -1.390 163 HA VAL 32 HA VAL 32 14.950 -17.864 -3.810 164 HB VAL 32 HB VAL 32 14.704 -19.076 -1.685 165 HG11 VAL 32 1HG1 VAL 32 12.870 -18.137 0.029 166 HG12 VAL 32 2HG1 VAL 32 14.491 -17.472 0.047 167 HG13 VAL 32 3HG1 VAL 32 13.169 -16.603 -0.743 168 HG21 VAL 32 3HG2 VAL 32 11.853 -18.301 -2.487 169 HG22 VAL 32 1HG2 VAL 32 12.960 -19.316 -3.520 170 HG23 VAL 32 2HG2 VAL 32 12.482 -19.910 -1.898 171 H ASN 33 H ASN 33 13.534 -17.242 -5.259 172 HA ASN 33 HA ASN 33 12.435 -14.519 -4.918 173 HB2 ASN 33 1HB ASN 33 12.282 -16.609 -7.086 174 HB3 ASN 33 2HB ASN 33 11.330 -15.143 -7.197 175 HD21 ASN 33 2HD2 ASN 33 12.314 -14.190 -8.839 176 HD22 ASN 33 1HD2 ASN 33 13.985 -13.643 -8.812 177 H GLN 34 H GLN 34 10.540 -14.158 -3.766 178 HA GLN 34 HA GLN 34 8.386 -16.160 -4.051 179 HB2 GLN 34 1HB GLN 34 8.189 -16.484 -1.621 180 HB3 GLN 34 2HB GLN 34 9.667 -17.171 -2.303 181 HG2 GLN 34 1HG GLN 34 10.997 -15.529 -1.331 182 HG3 GLN 34 2HG GLN 34 9.642 -14.457 -1.005 183 HE21 GLN 34 2HE2 GLN 34 7.860 -15.522 0.372 184 HE22 GLN 34 1HE2 GLN 34 8.422 -16.353 1.767 185 H HIS 35 H HIS 35 6.438 -15.397 -2.699 186 HA HIS 35 HA HIS 35 6.259 -12.467 -2.982 187 HB2 HIS 35 1HB HIS 35 4.372 -14.517 -1.688 188 HB3 HIS 35 2HB HIS 35 4.021 -12.774 -1.801 189 HD1 HIS 35 HD1 HIS 35 4.169 -11.766 -4.393 190 HD2 HIS 35 HD2 HIS 35 3.204 -15.825 -3.790 191 HE1 HIS 35 HE1 HIS 35 2.988 -12.560 -6.523 192 HE2 HIS 35 HE2 HIS 35 2.451 -15.024 -6.136 193 H LEU 36 H LEU 36 6.641 -10.945 -1.350 194 HA LEU 36 HA LEU 36 7.412 -12.087 1.312 195 HB2 LEU 36 1HB LEU 36 8.464 -9.709 -0.213 196 HB3 LEU 36 2HB LEU 36 8.794 -10.066 1.460 197 HG LEU 36 HG LEU 36 9.639 -11.869 -0.814 198 HD11 LEU 36 1HD1 LEU 36 11.885 -10.855 -0.652 199 HD12 LEU 36 2HD1 LEU 36 11.309 -9.739 0.618 200 HD13 LEU 36 3HD1 LEU 36 10.643 -9.612 -1.024 201 HD21 LEU 36 3HD2 LEU 36 9.467 -12.898 1.464 202 HD22 LEU 36 1HD2 LEU 36 10.820 -11.861 1.936 203 HD23 LEU 36 2HD2 LEU 36 11.005 -13.022 0.607 204 H CYS 37 H CYS 37 6.198 -11.614 2.854 205 HA CYS 37 HA CYS 37 4.517 -9.165 2.849 206 HB2 CYS 37 1HB CYS 37 3.557 -12.075 3.321 207 HB3 CYS 37 2HB CYS 37 2.585 -10.586 3.554 208 H GLY 38 H GLY 38 3.599 -8.735 5.015 209 HA2 GLY 38 1HA GLY 38 4.005 -8.205 7.228 210 HA3 GLY 38 2HA GLY 38 4.232 -9.946 7.433 211 H SER 39 H SER 39 5.902 -10.036 8.805 212 HA SER 39 HA SER 39 8.016 -8.150 8.890 213 HB2 SER 39 1HB SER 39 7.303 -9.472 10.889 214 HB3 SER 39 2HB SER 39 7.936 -10.923 10.092 215 HG SER 39 HG SER 39 9.308 -8.662 10.963 216 H HIS 40 H HIS 40 7.714 -11.247 7.112 217 HA HIS 40 HA HIS 40 10.498 -11.653 6.824 218 HB2 HIS 40 1HB HIS 40 8.156 -12.581 5.060 219 HB3 HIS 40 2HB HIS 40 9.836 -12.963 4.683 220 HD1 HIS 40 HD1 HIS 40 10.048 -15.377 5.133 221 HD2 HIS 40 HD2 HIS 40 8.176 -13.357 8.279 222 HE1 HIS 40 HE1 HIS 40 9.752 -17.062 7.025 223 HE2 HIS 40 HE2 HIS 40 8.584 -15.834 8.898 224 H LEU 41 H LEU 41 8.282 -9.488 5.071 225 HA LEU 41 HA LEU 41 10.102 -9.041 2.889 226 HB2 LEU 41 1HB LEU 41 7.648 -8.431 2.971 227 HB3 LEU 41 2HB LEU 41 8.074 -7.034 3.922 228 HG LEU 41 HG LEU 41 9.067 -7.598 1.106 229 HD11 LEU 41 1HD1 LEU 41 6.662 -7.200 1.306 230 HD12 LEU 41 2HD1 LEU 41 7.479 -5.954 0.413 231 HD13 LEU 41 3HD1 LEU 41 6.949 -5.667 2.094 232 HD21 LEU 41 3HD2 LEU 41 9.554 -5.226 2.881 233 HD22 LEU 41 1HD2 LEU 41 9.627 -5.103 1.123 234 HD23 LEU 41 2HD2 LEU 41 10.664 -6.244 1.948 235 H VAL 42 H VAL 42 9.565 -7.361 6.041 236 HA VAL 42 HA VAL 42 11.443 -5.254 5.572 237 HB VAL 42 HB VAL 42 10.594 -6.425 8.274 238 HG11 VAL 42 1HG1 VAL 42 12.532 -4.895 8.543 239 HG12 VAL 42 2HG1 VAL 42 11.763 -3.701 7.459 240 HG13 VAL 42 3HG1 VAL 42 11.033 -3.983 9.049 241 HG21 VAL 42 3HG2 VAL 42 9.331 -4.012 6.860 242 HG22 VAL 42 1HG2 VAL 42 8.631 -5.649 6.709 243 HG23 VAL 42 2HG2 VAL 42 8.717 -4.846 8.297 244 H GLU 43 H GLU 43 11.594 -8.469 7.133 245 HA GLU 43 HA GLU 43 14.311 -8.215 8.031 246 HB2 GLU 43 1HB GLU 43 12.425 -9.914 8.655 247 HB3 GLU 43 2HB GLU 43 12.878 -10.792 7.232 248 HG2 GLU 43 1HG GLU 43 14.705 -10.230 9.654 249 HG3 GLU 43 2HG GLU 43 13.869 -11.776 9.302 250 HE2 GLU 43 HE2 GLU 43 16.450 -9.879 8.825 251 H ALA 44 H ALA 44 12.915 -9.376 4.845 252 HA ALA 44 HA ALA 44 15.525 -10.080 3.824 253 HB1 ALA 44 3HB ALA 44 12.972 -9.230 2.260 254 HB2 ALA 44 1HB ALA 44 14.383 -10.153 1.631 255 HB3 ALA 44 2HB ALA 44 13.316 -10.921 2.836 256 H LEU 45 H LEU 45 13.643 -7.094 3.920 257 HA LEU 45 HA LEU 45 15.319 -5.572 2.271 258 HB2 LEU 45 1HB LEU 45 12.951 -5.134 3.157 259 HB3 LEU 45 2HB LEU 45 13.739 -4.549 4.624 260 HG LEU 45 HG LEU 45 15.080 -2.976 3.077 261 HD11 LEU 45 1HD1 LEU 45 12.738 -3.771 1.279 262 HD12 LEU 45 2HD1 LEU 45 14.478 -4.039 0.947 263 HD13 LEU 45 3HD1 LEU 45 13.807 -2.391 0.990 264 HD21 LEU 45 3HD2 LEU 45 12.112 -2.734 3.665 265 HD22 LEU 45 1HD2 LEU 45 13.069 -1.380 3.010 266 HD23 LEU 45 2HD2 LEU 45 13.483 -2.070 4.602 267 H TYR 46 H TYR 46 15.432 -6.316 5.801 268 HA TYR 46 HA TYR 46 17.670 -4.556 6.375 269 HB2 TYR 46 1HB TYR 46 16.233 -5.462 8.110 270 HB3 TYR 46 2HB TYR 46 16.774 -7.104 7.678 271 HD1 TYR 46 HD1 TYR 46 18.084 -3.830 8.781 272 HD2 TYR 46 HD2 TYR 46 18.556 -8.077 8.699 273 HE1 TYR 46 HE1 TYR 46 19.945 -3.645 10.448 274 HE2 TYR 46 HE2 TYR 46 20.444 -7.915 10.321 275 HH TYR 46 HH TYR 46 21.942 -6.472 11.317 276 H LEU 47 H LEU 47 17.540 -8.020 5.370 277 HA LEU 47 HA LEU 47 20.346 -8.513 5.533 278 HB2 LEU 47 1HB LEU 47 18.075 -9.626 3.902 279 HB3 LEU 47 2HB LEU 47 19.697 -10.188 3.598 280 HG LEU 47 HG LEU 47 18.299 -10.403 6.296 281 HD11 LEU 47 1HD1 LEU 47 18.512 -12.441 4.067 282 HD12 LEU 47 2HD1 LEU 47 17.094 -11.476 4.407 283 HD13 LEU 47 3HD1 LEU 47 17.663 -12.615 5.619 284 HD21 LEU 47 3HD2 LEU 47 20.736 -11.929 5.205 285 HD22 LEU 47 1HD2 LEU 47 20.039 -12.061 6.812 286 HD23 LEU 47 2HD2 LEU 47 20.846 -10.567 6.310 287 H VAL 48 H VAL 48 18.325 -7.135 2.814 288 HA VAL 48 HA VAL 48 20.724 -7.080 1.164 289 HB VAL 48 HB VAL 48 19.286 -5.805 -0.433 290 HG11 VAL 48 1HG1 VAL 48 17.747 -7.607 -0.985 291 HG12 VAL 48 2HG1 VAL 48 19.328 -8.267 -0.439 292 HG13 VAL 48 3HG1 VAL 48 17.928 -8.295 0.660 293 HG21 VAL 48 3HG2 VAL 48 17.915 -4.515 1.012 294 HG22 VAL 48 1HG2 VAL 48 16.917 -5.537 -0.071 295 HG23 VAL 48 2HG2 VAL 48 17.155 -5.991 1.638 296 H CYS 49 H CYS 49 19.159 -4.827 3.454 297 HA CYS 49 HA CYS 49 20.592 -2.540 2.372 298 HB2 CYS 49 1HB CYS 49 18.816 -3.182 4.674 299 HB3 CYS 49 2HB CYS 49 20.004 -1.928 5.043 300 H GLY 50 H GLY 50 21.255 -4.986 4.847 301 HA2 GLY 50 1HA GLY 50 23.301 -5.469 5.958 302 HA3 GLY 50 2HA GLY 50 23.937 -3.895 5.335 303 H GLU 51 H GLU 51 23.706 -2.104 6.565 304 HA GLU 51 HA GLU 51 23.257 -0.786 8.437 305 HB2 GLU 51 1HB GLU 51 20.709 -1.966 7.635 306 HB3 GLU 51 2HB GLU 51 20.682 -1.424 9.322 307 HG2 GLU 51 1HG GLU 51 19.932 0.375 8.185 308 HG3 GLU 51 2HG GLU 51 21.650 0.825 8.390 309 HE2 GLU 51 HE2 GLU 51 19.325 0.846 6.432 310 H GLN 52 H GLN 52 22.335 -0.647 10.737 311 HA GLN 52 HA GLN 52 23.388 -3.058 12.165 312 HB2 GLN 52 1HB GLN 52 22.803 -0.239 13.123 313 HB3 GLN 52 2HB GLN 52 23.424 -1.539 14.149 314 HG2 GLN 52 1HG GLN 52 25.477 -0.622 13.636 315 HG3 GLN 52 2HG GLN 52 25.322 -1.650 12.206 316 HE21 GLN 52 2HE2 GLN 52 25.758 -0.594 10.380 317 HE22 GLN 52 1HE2 GLN 52 25.551 1.140 10.173 318 H GLY 53 H GLY 53 20.508 -1.191 11.509 319 HA2 GLY 53 1HA GLY 53 18.598 -3.006 12.252 320 HA3 GLY 53 2HA GLY 53 19.037 -2.215 13.812 321 H PHE 54 H PHE 54 16.658 -2.104 11.563 322 HA PHE 54 HA PHE 54 16.748 0.649 10.635 323 HB2 PHE 54 1HB PHE 54 14.407 -1.300 10.856 324 HB3 PHE 54 2HB PHE 54 14.343 0.273 10.051 325 HD1 PHE 54 HD1 PHE 54 16.887 0.333 8.510 326 HD2 PHE 54 HD2 PHE 54 14.080 -2.807 9.185 327 HE1 PHE 54 HE1 PHE 54 17.582 -0.681 6.371 328 HE2 PHE 54 HE2 PHE 54 14.742 -3.839 6.923 329 HZ PHE 54 HZ PHE 54 16.448 -2.714 5.533 330 H PHE 55 H PHE 55 15.730 -1.005 13.547 331 HA PHE 55 HA PHE 55 15.149 1.584 14.832 332 HB2 PHE 55 1HB PHE 55 13.017 0.045 13.837 333 HB3 PHE 55 2HB PHE 55 13.146 -0.343 15.572 334 HD1 PHE 55 HD2 PHE 55 12.854 1.536 17.287 335 HD2 PHE 55 HD1 PHE 55 12.390 2.166 13.026 336 HE1 PHE 55 HE2 PHE 55 11.679 3.709 17.717 337 HE2 PHE 55 HE1 PHE 55 11.253 4.336 13.461 338 HZ PHE 55 HZ PHE 55 10.878 5.055 15.862 339 H TYR 56 H TYR 56 15.051 1.259 17.147 340 HA TYR 56 HA TYR 56 16.471 -1.273 17.965 341 HB2 TYR 56 1HB TYR 56 18.066 0.568 17.666 342 HB3 TYR 56 2HB TYR 56 17.143 1.638 18.719 343 HD1 TYR 56 HD2 TYR 56 18.842 -1.668 18.767 344 HD2 TYR 56 HD1 TYR 56 17.602 1.765 21.014 345 HE1 TYR 56 HE2 TYR 56 20.063 -2.546 20.826 346 HE2 TYR 56 HE1 TYR 56 18.831 0.882 23.055 347 HH TYR 56 HH TYR 56 20.714 -2.106 22.937 348 H THR 57 H THR 57 15.859 -1.966 20.122 349 HA THR 57 HA THR 57 13.545 -0.566 21.273 350 HB THR 57 HB THR 57 14.219 -3.166 22.402 351 HG1 THR 57 HG1 THR 57 13.302 -4.139 20.331 352 HG21 THR 57 1HG2 THR 57 12.021 -2.028 22.721 353 HG22 THR 57 2HG2 THR 57 11.870 -3.657 21.968 354 HG23 THR 57 3HG2 THR 57 11.723 -2.180 20.969 355 HA PRO 58 HA PRO 58 16.786 -0.004 24.272 356 HB2 PRO 58 1HB PRO 58 16.050 2.444 25.371 357 HB3 PRO 58 2HB PRO 58 17.016 2.322 23.819 358 HG2 PRO 58 1HG PRO 58 14.002 2.599 24.271 359 HG3 PRO 58 2HG PRO 58 15.193 3.611 23.241 360 HD2 PRO 58 1HD PRO 58 13.699 1.641 22.165 361 HD3 PRO 58 2HD PRO 58 15.439 1.912 21.648 362 H LYS 59 H LYS 59 16.807 -0.095 26.517 363 HA LYS 59 HA LYS 59 14.239 -0.015 27.990 364 HB2 LYS 59 1HB LYS 59 14.724 -2.348 27.360 365 HB3 LYS 59 2HB LYS 59 16.349 -2.163 28.134 366 HG2 LYS 59 1HG LYS 59 15.453 -1.900 30.323 367 HG3 LYS 59 2HG LYS 59 13.790 -1.757 29.716 368 HD2 LYS 59 1HD LYS 59 13.899 -4.111 28.907 369 HD3 LYS 59 2HD LYS 59 15.606 -4.205 29.522 370 HE2 LYS 59 1HE LYS 59 14.797 -3.806 31.821 371 HE3 LYS 59 2HE LYS 59 13.160 -3.714 31.195 372 HZ1 LYS 59 3HZ LYS 59 13.712 -5.993 31.996 373 HZ2 LYS 59 1HZ LYS 59 14.946 -6.093 30.893 374 HZ3 LYS 59 2HZ LYS 59 13.323 -5.999 30.409 375 H THR 60 H THR 60 14.573 1.428 29.620 376 HA THR 60 HA THR 60 17.259 2.225 30.409 377 HB THR 60 HB THR 60 15.080 3.154 32.192 378 HG1 THR 60 HG1 THR 60 14.788 3.933 29.508 379 HG21 THR 60 1HG2 THR 60 16.886 4.621 30.144 380 HG22 THR 60 2HG2 THR 60 17.166 4.446 31.931 381 HG23 THR 60 3HG2 THR 60 15.833 5.384 31.338 382 HXT THR 60 H02 THR 60 14.638 0.832 32.055 Start of MODEL 38 1 H1 GLY 1 2H0 GLY 1 4.678 2.144 -0.656 2 H2 GLY 1 1H0 GLY 1 3.410 2.458 0.324 3 HA2 GLY 1 1HA GLY 1 2.400 0.407 0.170 4 HA3 GLY 1 2HA GLY 1 2.681 1.064 -1.506 5 H ILE 2 H ILE 2 5.512 0.144 0.106 6 HA ILE 2 HA ILE 2 6.210 -1.827 -1.840 7 HB ILE 2 HB ILE 2 7.878 -0.439 -0.620 8 HG12 ILE 2 1HG1 ILE 2 8.297 -3.441 -0.274 9 HG13 ILE 2 2HG1 ILE 2 8.485 -2.519 -1.771 10 HG21 ILE 2 1HG2 ILE 2 6.761 -0.653 1.719 11 HG22 ILE 2 2HG2 ILE 2 7.398 -2.292 1.832 12 HG23 ILE 2 3HG2 ILE 2 8.496 -0.869 1.737 13 HD11 ILE 2 3HD1 ILE 2 10.724 -2.781 -0.963 14 HD12 ILE 2 1HD1 ILE 2 10.270 -1.122 -0.498 15 HD13 ILE 2 2HD1 ILE 2 10.219 -2.422 0.722 16 H VAL 3 H VAL 3 4.724 -2.229 1.328 17 HA VAL 3 HA VAL 3 5.222 -5.122 1.431 18 HB VAL 3 HB VAL 3 2.957 -3.574 2.843 19 HG11 VAL 3 1HG1 VAL 3 2.749 -6.111 2.755 20 HG12 VAL 3 2HG1 VAL 3 4.276 -6.174 3.643 21 HG13 VAL 3 3HG1 VAL 3 2.874 -5.445 4.372 22 HG21 VAL 3 3HG2 VAL 3 5.320 -2.692 3.366 23 HG22 VAL 3 1HG2 VAL 3 4.353 -3.256 4.732 24 HG23 VAL 3 2HG2 VAL 3 5.619 -4.308 4.066 25 H GLU 4 H GLU 4 2.233 -3.174 0.592 26 HA GLU 4 HA GLU 4 0.842 -5.589 -0.170 27 HB2 GLU 4 1HB GLU 4 -0.855 -4.156 -1.173 28 HB3 GLU 4 2HB GLU 4 -0.389 -3.455 0.335 29 HG2 GLU 4 1HG GLU 4 1.126 -1.811 -0.883 30 HG3 GLU 4 2HG GLU 4 0.453 -2.462 -2.443 31 HE2 GLU 4 HE2 GLU 4 -1.650 -2.160 -2.843 32 H GLN 5 H GLN 5 3.187 -3.589 -1.739 33 HA GLN 5 HA GLN 5 2.657 -4.374 -4.458 34 HB2 GLN 5 1HB GLN 5 4.089 -2.435 -3.818 35 HB3 GLN 5 2HB GLN 5 5.271 -3.573 -3.218 36 HG2 GLN 5 1HG GLN 5 6.169 -3.206 -5.254 37 HG3 GLN 5 2HG GLN 5 5.118 -4.553 -5.635 38 HE21 GLN 5 2HE2 GLN 5 6.079 -1.648 -6.788 39 HE22 GLN 5 1HE2 GLN 5 4.660 -1.262 -7.750 40 H CYS 6 H CYS 6 5.339 -5.521 -2.310 41 HA CYS 6 HA CYS 6 5.959 -7.684 -4.029 42 HB2 CYS 6 1HB CYS 6 6.664 -7.021 -1.190 43 HB3 CYS 6 2HB CYS 6 7.263 -8.487 -2.029 44 H CYS 7 H CYS 7 3.572 -7.450 -1.431 45 HA CYS 7 HA CYS 7 3.521 -10.236 -0.940 46 HB2 CYS 7 1HB CYS 7 2.690 -8.308 0.495 47 HB3 CYS 7 2HB CYS 7 1.232 -8.279 -0.576 48 H THR 8 H THR 8 1.810 -8.057 -3.248 49 HA THR 8 HA THR 8 0.259 -10.401 -4.225 50 HB THR 8 HB THR 8 -0.958 -8.659 -5.573 51 HG1 THR 8 HG1 THR 8 0.490 -6.713 -4.006 52 HG21 THR 8 1HG2 THR 8 -1.696 -9.297 -3.179 53 HG22 THR 8 2HG2 THR 8 -2.076 -7.610 -3.630 54 HG23 THR 8 3HG2 THR 8 -0.670 -7.957 -2.597 55 H SER 9 H SER 9 2.333 -7.814 -5.561 56 HA SER 9 HA SER 9 2.757 -9.436 -7.992 57 HB2 SER 9 1HB SER 9 3.555 -6.616 -7.261 58 HB3 SER 9 2HB SER 9 3.797 -7.375 -8.875 59 HG SER 9 HG SER 9 1.309 -7.788 -8.494 60 H ILE 10 H ILE 10 4.366 -10.898 -7.858 61 HA ILE 10 HA ILE 10 6.245 -10.902 -5.779 62 HB ILE 10 HB ILE 10 6.577 -12.146 -8.533 63 HG12 ILE 10 1HG1 ILE 10 5.306 -13.396 -6.069 64 HG13 ILE 10 2HG1 ILE 10 4.404 -12.736 -7.441 65 HG21 ILE 10 1HG2 ILE 10 8.695 -12.315 -7.319 66 HG22 ILE 10 2HG2 ILE 10 7.806 -12.802 -5.822 67 HG23 ILE 10 3HG2 ILE 10 7.895 -13.908 -7.210 68 HD11 ILE 10 3HD1 ILE 10 4.424 -14.851 -8.243 69 HD12 ILE 10 1HD1 ILE 10 6.026 -14.411 -8.791 70 HD13 ILE 10 2HD1 ILE 10 5.859 -15.318 -7.313 71 H CYS 11 H CYS 11 7.946 -9.716 -5.362 72 HA CYS 11 HA CYS 11 9.198 -8.226 -7.626 73 HB2 CYS 11 1HB CYS 11 10.105 -6.726 -5.886 74 HB3 CYS 11 2HB CYS 11 8.369 -6.890 -5.703 75 H SER 12 H SER 12 11.556 -8.065 -7.532 76 HA SER 12 HA SER 12 12.882 -10.671 -6.691 77 HB2 SER 12 1HB SER 12 12.978 -9.325 -9.443 78 HB3 SER 12 2HB SER 12 13.909 -10.771 -8.936 79 HG SER 12 HG SER 12 11.186 -10.420 -9.513 80 H LEU 13 H LEU 13 15.302 -10.462 -6.857 81 HA LEU 13 HA LEU 13 16.056 -8.427 -5.149 82 HB2 LEU 13 1HB LEU 13 17.367 -10.488 -5.638 83 HB3 LEU 13 2HB LEU 13 17.847 -9.835 -7.186 84 HG LEU 13 HG LEU 13 19.072 -8.018 -6.014 85 HD11 LEU 13 1HD1 LEU 13 18.348 -9.674 -3.550 86 HD12 LEU 13 2HD1 LEU 13 17.837 -8.001 -3.881 87 HD13 LEU 13 3HD1 LEU 13 19.584 -8.365 -3.598 88 HD21 LEU 13 3HD2 LEU 13 20.917 -9.585 -5.215 89 HD22 LEU 13 1HD2 LEU 13 20.277 -10.007 -6.801 90 HD23 LEU 13 2HD2 LEU 13 19.795 -10.944 -5.376 91 H TYR 14 H TYR 14 16.347 -8.364 -8.784 92 HA TYR 14 HA TYR 14 17.872 -6.025 -8.996 93 HB2 TYR 14 1HB TYR 14 17.420 -7.349 -10.967 94 HB3 TYR 14 2HB TYR 14 15.666 -7.030 -10.838 95 HD1 TYR 14 HD2 TYR 14 18.926 -5.368 -11.584 96 HD2 TYR 14 HD1 TYR 14 14.643 -5.120 -11.807 97 HE1 TYR 14 HE2 TYR 14 19.116 -3.238 -12.972 98 HE2 TYR 14 HE1 TYR 14 14.852 -3.088 -13.320 99 HH TYR 14 HH TYR 14 16.290 -1.700 -14.413 100 H GLN 15 H GLN 15 14.251 -6.235 -8.698 101 HA GLN 15 HA GLN 15 13.936 -3.380 -8.714 102 HB2 GLN 15 1HB GLN 15 12.174 -5.025 -9.434 103 HB3 GLN 15 2HB GLN 15 11.920 -5.422 -7.743 104 HG2 GLN 15 1HG GLN 15 10.247 -3.889 -8.481 105 HG3 GLN 15 2HG GLN 15 11.227 -3.078 -7.286 106 HE21 GLN 15 2HE2 GLN 15 11.312 -0.980 -7.795 107 HE22 GLN 15 1HE2 GLN 15 11.525 -0.294 -9.415 108 H LEU 16 H LEU 16 14.124 -5.935 -6.198 109 HA LEU 16 HA LEU 16 13.244 -4.354 -4.047 110 HB2 LEU 16 1HB LEU 16 13.516 -6.819 -4.138 111 HB3 LEU 16 2HB LEU 16 15.247 -6.610 -3.978 112 HG LEU 16 HG LEU 16 13.756 -5.346 -1.795 113 HD11 LEU 16 1HD1 LEU 16 13.316 -7.492 -0.582 114 HD12 LEU 16 2HD1 LEU 16 13.549 -8.360 -2.117 115 HD13 LEU 16 3HD1 LEU 16 12.235 -7.194 -1.961 116 HD21 LEU 16 3HD2 LEU 16 16.150 -5.543 -1.765 117 HD22 LEU 16 1HD2 LEU 16 16.076 -7.311 -2.027 118 HD23 LEU 16 2HD2 LEU 16 15.476 -6.578 -0.478 119 H GLU 17 H GLU 17 16.454 -4.849 -5.437 120 HA GLU 17 HA GLU 17 17.948 -3.390 -3.529 121 HB2 GLU 17 1HB GLU 17 18.276 -4.187 -6.349 122 HB3 GLU 17 2HB GLU 17 19.298 -2.827 -5.862 123 HG2 GLU 17 1HG GLU 17 20.005 -4.145 -3.886 124 HG3 GLU 17 2HG GLU 17 19.143 -5.544 -4.564 125 HE2 GLU 17 HE2 GLU 17 21.354 -3.118 -5.361 126 H ASN 18 H ASN 18 15.955 -2.200 -6.242 127 HA ASN 18 HA ASN 18 17.197 0.373 -6.294 128 HB2 ASN 18 1HB ASN 18 15.401 -0.841 -7.936 129 HB3 ASN 18 2HB ASN 18 14.257 0.063 -6.911 130 HD21 ASN 18 2HD2 ASN 18 14.001 0.870 -9.347 131 HD22 ASN 18 1HD2 ASN 18 14.845 2.379 -9.680 132 H TYR 19 H TYR 19 15.159 -1.022 -3.946 133 HA TYR 19 HA TYR 19 14.034 1.577 -3.011 134 HB2 TYR 19 1HB TYR 19 14.097 -1.240 -1.775 135 HB3 TYR 19 2HB TYR 19 13.472 0.189 -0.978 136 HD1 TYR 19 HD2 TYR 19 11.362 1.235 -1.713 137 HD2 TYR 19 HD1 TYR 19 12.845 -2.296 -3.751 138 HE1 TYR 19 HE2 TYR 19 9.109 0.941 -2.848 139 HE2 TYR 19 HE1 TYR 19 10.635 -2.624 -4.791 140 HH TYR 19 HH TYR 19 8.450 -2.011 -4.673 141 H CYS 20 H CYS 20 16.931 -0.234 -2.638 142 HA CYS 20 HA CYS 20 17.912 1.632 -0.494 143 HB2 CYS 20 1HB CYS 20 19.238 -0.250 0.378 144 HB3 CYS 20 2HB CYS 20 17.504 -0.576 0.505 145 H ASN 21 H ASN 21 18.165 1.726 -3.501 146 HA ASN 21 HA ASN 21 21.118 1.420 -3.766 147 HB2 ASN 21 1HB ASN 21 18.918 1.753 -5.770 148 HB3 ASN 21 2HB ASN 21 20.537 2.216 -6.287 149 HD21 ASN 21 2HD2 ASN 21 19.184 0.074 -7.605 150 HD22 ASN 21 1HD2 ASN 21 19.955 -1.414 -7.227 151 HXT ASN 21 H02 ASN 21 20.024 5.153 -3.859 152 H1 PHE 31 2H0 PHE 31 19.167 -16.212 -4.561 153 H2 PHE 31 1H0 PHE 31 19.020 -15.650 -6.080 154 HA PHE 31 HA PHE 31 17.683 -14.638 -3.674 155 HB2 PHE 31 1HB PHE 31 18.438 -12.847 -5.291 156 HB3 PHE 31 2HB PHE 31 17.307 -13.555 -6.430 157 HD1 PHE 31 HD2 PHE 31 17.670 -11.805 -3.208 158 HD2 PHE 31 HD1 PHE 31 14.904 -13.393 -6.141 159 HE1 PHE 31 HE2 PHE 31 15.767 -10.595 -2.114 160 HE2 PHE 31 HE1 PHE 31 13.029 -12.138 -5.038 161 HZ PHE 31 HZ PHE 31 13.440 -10.718 -3.055 162 H VAL 32 H VAL 32 15.541 -15.090 -3.511 163 HA VAL 32 HA VAL 32 14.402 -17.052 -5.479 164 HB VAL 32 HB VAL 32 14.753 -18.282 -3.460 165 HG11 VAL 32 1HG1 VAL 32 13.945 -17.558 -1.203 166 HG12 VAL 32 2HG1 VAL 32 15.173 -16.486 -1.872 167 HG13 VAL 32 3HG1 VAL 32 13.440 -16.037 -1.861 168 HG21 VAL 32 3HG2 VAL 32 12.490 -18.437 -4.628 169 HG22 VAL 32 1HG2 VAL 32 12.648 -19.115 -2.956 170 HG23 VAL 32 2HG2 VAL 32 11.858 -17.553 -3.220 171 H ASN 33 H ASN 33 12.723 -16.200 -6.621 172 HA ASN 33 HA ASN 33 11.512 -13.705 -5.734 173 HB2 ASN 33 1HB ASN 33 10.474 -13.630 -7.950 174 HB3 ASN 33 2HB ASN 33 12.181 -14.027 -8.121 175 HD21 ASN 33 2HD2 ASN 33 9.565 -14.595 -9.678 176 HD22 ASN 33 1HD2 ASN 33 9.753 -16.292 -10.089 177 H GLN 34 H GLN 34 10.170 -14.011 -3.988 178 HA GLN 34 HA GLN 34 7.852 -15.976 -4.378 179 HB2 GLN 34 1HB GLN 34 9.994 -15.935 -2.338 180 HB3 GLN 34 2HB GLN 34 8.327 -15.957 -1.688 181 HG2 GLN 34 1HG GLN 34 9.254 -17.986 -3.765 182 HG3 GLN 34 2HG GLN 34 9.396 -18.195 -2.014 183 HE21 GLN 34 2HE2 GLN 34 8.033 -20.148 -2.586 184 HE22 GLN 34 1HE2 GLN 34 6.290 -19.920 -2.566 185 H HIS 35 H HIS 35 6.106 -15.494 -2.872 186 HA HIS 35 HA HIS 35 5.507 -12.607 -2.710 187 HB2 HIS 35 1HB HIS 35 3.985 -15.019 -1.638 188 HB3 HIS 35 2HB HIS 35 3.395 -13.338 -1.611 189 HD1 HIS 35 HD1 HIS 35 2.774 -12.222 -3.891 190 HD2 HIS 35 HD2 HIS 35 3.656 -16.317 -4.061 191 HE1 HIS 35 HE1 HIS 35 1.985 -13.049 -6.198 192 HE2 HIS 35 HE2 HIS 35 2.522 -15.563 -6.276 193 H LEU 36 H LEU 36 7.484 -12.317 -1.298 194 HA LEU 36 HA LEU 36 7.317 -12.955 1.501 195 HB2 LEU 36 1HB LEU 36 8.947 -11.205 -0.265 196 HB3 LEU 36 2HB LEU 36 8.931 -10.746 1.466 197 HG LEU 36 HG LEU 36 9.695 -13.031 2.016 198 HD11 LEU 36 1HD1 LEU 36 8.965 -14.248 0.023 199 HD12 LEU 36 2HD1 LEU 36 10.709 -14.402 0.266 200 HD13 LEU 36 3HD1 LEU 36 10.094 -13.302 -0.981 201 HD21 LEU 36 3HD2 LEU 36 11.556 -11.494 0.114 202 HD22 LEU 36 1HD2 LEU 36 12.013 -12.565 1.488 203 HD23 LEU 36 2HD2 LEU 36 11.217 -11.032 1.796 204 H CYS 37 H CYS 37 6.150 -11.897 3.080 205 HA CYS 37 HA CYS 37 4.818 -9.284 2.539 206 HB2 CYS 37 1HB CYS 37 3.562 -11.328 1.598 207 HB3 CYS 37 2HB CYS 37 3.348 -11.843 3.250 208 H GLY 38 H GLY 38 3.873 -8.574 4.704 209 HA2 GLY 38 1HA GLY 38 3.946 -8.341 6.934 210 HA3 GLY 38 2HA GLY 38 4.351 -10.056 7.053 211 H SER 39 H SER 39 5.758 -9.705 8.804 212 HA SER 39 HA SER 39 8.036 -7.957 8.889 213 HB2 SER 39 1HB SER 39 8.794 -9.527 10.646 214 HB3 SER 39 2HB SER 39 7.130 -9.008 10.896 215 HG SER 39 HG SER 39 7.442 -11.322 11.203 216 H HIS 40 H HIS 40 7.640 -11.171 7.376 217 HA HIS 40 HA HIS 40 10.414 -11.729 7.158 218 HB2 HIS 40 1HB HIS 40 8.021 -12.561 5.538 219 HB3 HIS 40 2HB HIS 40 9.660 -12.969 4.938 220 HD1 HIS 40 HD1 HIS 40 9.505 -15.442 5.235 221 HD2 HIS 40 HD2 HIS 40 8.920 -13.317 8.776 222 HE1 HIS 40 HE1 HIS 40 9.583 -17.159 7.173 223 HE2 HIS 40 HE2 HIS 40 9.205 -15.840 9.249 224 H LEU 41 H LEU 41 8.266 -9.876 4.924 225 HA LEU 41 HA LEU 41 10.176 -9.485 2.933 226 HB2 LEU 41 1HB LEU 41 7.793 -8.936 2.694 227 HB3 LEU 41 2HB LEU 41 8.001 -7.658 3.921 228 HG LEU 41 HG LEU 41 9.616 -6.500 2.336 229 HD11 LEU 41 1HD1 LEU 41 9.408 -7.004 -0.063 230 HD12 LEU 41 2HD1 LEU 41 8.487 -8.465 0.349 231 HD13 LEU 41 3HD1 LEU 41 10.240 -8.308 0.841 232 HD21 LEU 41 3HD2 LEU 41 7.702 -5.654 0.921 233 HD22 LEU 41 1HD2 LEU 41 7.225 -5.810 2.635 234 HD23 LEU 41 2HD2 LEU 41 6.747 -7.040 1.447 235 H VAL 42 H VAL 42 9.441 -7.338 5.728 236 HA VAL 42 HA VAL 42 11.494 -5.471 4.842 237 HB VAL 42 HB VAL 42 11.158 -4.260 6.914 238 HG11 VAL 42 1HG1 VAL 42 8.524 -5.240 5.848 239 HG12 VAL 42 2HG1 VAL 42 8.846 -3.684 6.660 240 HG13 VAL 42 3HG1 VAL 42 9.589 -4.007 5.093 241 HG21 VAL 42 3HG2 VAL 42 11.014 -6.054 8.458 242 HG22 VAL 42 1HG2 VAL 42 9.608 -4.997 8.621 243 HG23 VAL 42 2HG2 VAL 42 9.451 -6.569 7.784 244 H GLU 43 H GLU 43 11.504 -8.279 6.831 245 HA GLU 43 HA GLU 43 14.030 -7.751 8.147 246 HB2 GLU 43 1HB GLU 43 12.316 -9.345 9.044 247 HB3 GLU 43 2HB GLU 43 12.765 -10.469 7.781 248 HG2 GLU 43 1HG GLU 43 15.137 -10.467 8.623 249 HG3 GLU 43 2HG GLU 43 14.601 -9.446 9.932 250 HE2 GLU 43 HE2 GLU 43 15.525 -11.130 11.082 251 H ALA 44 H ALA 44 13.040 -9.428 5.138 252 HA ALA 44 HA ALA 44 15.626 -10.438 4.529 253 HB1 ALA 44 3HB ALA 44 14.822 -10.517 2.169 254 HB2 ALA 44 1HB ALA 44 13.667 -11.306 3.272 255 HB3 ALA 44 2HB ALA 44 13.300 -9.688 2.639 256 H LEU 45 H LEU 45 13.830 -7.433 3.746 257 HA LEU 45 HA LEU 45 15.880 -6.330 2.126 258 HB2 LEU 45 1HB LEU 45 13.418 -5.689 2.407 259 HB3 LEU 45 2HB LEU 45 13.935 -4.686 3.724 260 HG LEU 45 HG LEU 45 15.206 -4.441 0.990 261 HD11 LEU 45 1HD1 LEU 45 13.524 -2.881 0.238 262 HD12 LEU 45 2HD1 LEU 45 12.593 -3.112 1.727 263 HD13 LEU 45 3HD1 LEU 45 12.783 -4.447 0.560 264 HD21 LEU 45 3HD2 LEU 45 16.153 -3.186 2.811 265 HD22 LEU 45 1HD2 LEU 45 14.589 -2.384 3.043 266 HD23 LEU 45 2HD2 LEU 45 15.514 -2.160 1.522 267 H TYR 46 H TYR 46 15.261 -6.189 5.653 268 HA TYR 46 HA TYR 46 17.335 -4.313 6.247 269 HB2 TYR 46 1HB TYR 46 15.821 -4.756 7.985 270 HB3 TYR 46 2HB TYR 46 15.969 -6.502 7.782 271 HD1 TYR 46 HD1 TYR 46 17.890 -3.471 8.855 272 HD2 TYR 46 HD2 TYR 46 17.529 -7.765 9.145 273 HE1 TYR 46 HE1 TYR 46 19.733 -3.487 10.556 274 HE2 TYR 46 HE2 TYR 46 19.393 -7.845 10.741 275 HH TYR 46 HH TYR 46 21.148 -4.832 11.806 276 H LEU 47 H LEU 47 17.446 -7.887 6.074 277 HA LEU 47 HA LEU 47 20.180 -8.103 6.861 278 HB2 LEU 47 1HB LEU 47 18.354 -9.888 5.229 279 HB3 LEU 47 2HB LEU 47 19.983 -10.325 5.661 280 HG LEU 47 HG LEU 47 17.905 -9.635 7.701 281 HD11 LEU 47 1HD1 LEU 47 17.449 -12.004 7.814 282 HD12 LEU 47 2HD1 LEU 47 18.505 -12.288 6.440 283 HD13 LEU 47 3HD1 LEU 47 17.031 -11.291 6.263 284 HD21 LEU 47 3HD2 LEU 47 19.241 -11.057 9.252 285 HD22 LEU 47 1HD2 LEU 47 20.209 -9.715 8.635 286 HD23 LEU 47 2HD2 LEU 47 20.431 -11.356 7.971 287 H VAL 48 H VAL 48 18.690 -7.670 3.594 288 HA VAL 48 HA VAL 48 21.346 -7.927 2.446 289 HB VAL 48 HB VAL 48 19.354 -8.879 1.286 290 HG11 VAL 48 1HG1 VAL 48 17.786 -7.536 0.100 291 HG12 VAL 48 2HG1 VAL 48 17.769 -6.999 1.766 292 HG13 VAL 48 3HG1 VAL 48 18.620 -6.051 0.507 293 HG21 VAL 48 3HG2 VAL 48 20.719 -6.790 -0.415 294 HG22 VAL 48 1HG2 VAL 48 21.455 -8.316 0.086 295 HG23 VAL 48 2HG2 VAL 48 20.006 -8.323 -0.936 296 H CYS 49 H CYS 49 19.126 -5.168 3.076 297 HA CYS 49 HA CYS 49 21.417 -3.373 3.106 298 HB2 CYS 49 1HB CYS 49 20.355 -1.830 1.283 299 HB3 CYS 49 2HB CYS 49 21.173 -3.291 0.638 300 H GLY 50 H GLY 50 20.164 -3.569 5.307 301 HA2 GLY 50 1HA GLY 50 17.623 -2.303 5.459 302 HA3 GLY 50 2HA GLY 50 18.746 -2.498 6.802 303 H GLU 51 H GLU 51 20.197 -0.673 7.312 304 HA GLU 51 HA GLU 51 20.589 1.527 7.703 305 HB2 GLU 51 1HB GLU 51 20.210 1.741 4.738 306 HB3 GLU 51 2HB GLU 51 21.237 2.726 5.716 307 HG2 GLU 51 1HG GLU 51 21.772 -0.216 5.408 308 HG3 GLU 51 2HG GLU 51 22.427 1.057 4.314 309 HE2 GLU 51 HE2 GLU 51 25.055 1.256 6.371 310 H GLN 52 H GLN 52 17.472 0.911 7.358 311 HA GLN 52 HA GLN 52 16.752 3.825 7.154 312 HB2 GLN 52 1HB GLN 52 15.284 1.366 6.256 313 HB3 GLN 52 2HB GLN 52 14.543 2.964 6.373 314 HG2 GLN 52 1HG GLN 52 16.139 3.850 4.726 315 HG3 GLN 52 2HG GLN 52 16.940 2.296 4.686 316 HE21 GLN 52 2HE2 GLN 52 14.116 4.044 3.695 317 HE22 GLN 52 1HE2 GLN 52 13.530 2.839 2.594 318 H GLY 53 H GLY 53 16.794 1.302 9.368 319 HA2 GLY 53 1HA GLY 53 16.076 1.628 11.647 320 HA3 GLY 53 2HA GLY 53 15.030 2.913 11.101 321 H PHE 54 H PHE 54 15.212 -0.401 9.762 322 HA PHE 54 HA PHE 54 12.369 -0.823 10.029 323 HB2 PHE 54 1HB PHE 54 14.562 -2.878 9.519 324 HB3 PHE 54 2HB PHE 54 12.843 -3.175 9.406 325 HD1 PHE 54 HD2 PHE 54 11.433 -1.569 7.831 326 HD2 PHE 54 HD1 PHE 54 15.658 -2.301 7.459 327 HE1 PHE 54 HE2 PHE 54 11.379 -0.801 5.454 328 HE2 PHE 54 HE1 PHE 54 15.605 -1.502 5.100 329 HZ PHE 54 HZ PHE 54 13.437 -0.734 4.105 330 H PHE 55 H PHE 55 15.103 -1.386 12.033 331 HA PHE 55 HA PHE 55 15.351 -2.525 14.036 332 HB2 PHE 55 1HB PHE 55 14.588 -0.200 14.350 333 HB3 PHE 55 2HB PHE 55 12.931 -0.807 14.511 334 HD1 PHE 55 HD1 PHE 55 16.307 -0.873 16.159 335 HD2 PHE 55 HD2 PHE 55 12.044 -1.511 16.490 336 HE1 PHE 55 HE1 PHE 55 16.537 -0.895 18.586 337 HE2 PHE 55 HE2 PHE 55 12.235 -1.454 18.988 338 HZ PHE 55 HZ PHE 55 14.482 -1.218 20.055 339 H TYR 56 H TYR 56 15.115 -4.749 13.898 340 HA TYR 56 HA TYR 56 12.463 -5.707 14.932 341 HB2 TYR 56 1HB TYR 56 13.057 -6.625 12.791 342 HB3 TYR 56 2HB TYR 56 14.676 -7.080 13.365 343 HD1 TYR 56 HD2 TYR 56 11.068 -7.768 14.269 344 HD2 TYR 56 HD1 TYR 56 15.049 -9.350 13.861 345 HE1 TYR 56 HE2 TYR 56 10.266 -9.976 14.968 346 HE2 TYR 56 HE1 TYR 56 14.174 -11.574 14.456 347 HH TYR 56 HH TYR 56 12.276 -12.849 15.042 348 H THR 57 H THR 57 12.500 -5.920 17.040 349 HA THR 57 HA THR 57 14.858 -7.293 18.364 350 HB THR 57 HB THR 57 13.161 -4.996 19.499 351 HG1 THR 57 HG1 THR 57 14.496 -4.088 18.038 352 HG21 THR 57 1HG2 THR 57 15.052 -4.903 21.162 353 HG22 THR 57 2HG2 THR 57 15.645 -6.454 20.503 354 HG23 THR 57 3HG2 THR 57 14.017 -6.379 21.245 355 HA PRO 58 HA PRO 58 10.862 -9.504 19.105 356 HB2 PRO 58 1HB PRO 58 11.817 -12.089 19.217 357 HB3 PRO 58 2HB PRO 58 11.618 -11.276 17.699 358 HG2 PRO 58 1HG PRO 58 14.078 -11.493 19.409 359 HG3 PRO 58 2HG PRO 58 13.882 -11.896 17.652 360 HD2 PRO 58 1HD PRO 58 14.917 -9.520 18.548 361 HD3 PRO 58 2HD PRO 58 13.895 -9.585 17.081 362 H LYS 59 H LYS 59 10.074 -11.003 20.833 363 HA LYS 59 HA LYS 59 11.734 -10.988 23.395 364 HB2 LYS 59 1HB LYS 59 9.632 -9.468 23.408 365 HB3 LYS 59 2HB LYS 59 8.678 -10.908 22.996 366 HG2 LYS 59 1HG LYS 59 9.691 -11.909 25.169 367 HG3 LYS 59 2HG LYS 59 10.059 -10.235 25.591 368 HD2 LYS 59 1HD LYS 59 7.372 -11.335 24.869 369 HD3 LYS 59 2HD LYS 59 7.920 -10.990 26.499 370 HE2 LYS 59 1HE LYS 59 8.270 -8.615 25.963 371 HE3 LYS 59 2HE LYS 59 7.567 -8.875 24.301 372 HZ1 LYS 59 3HZ LYS 59 6.108 -7.937 26.033 373 HZ2 LYS 59 1HZ LYS 59 6.038 -9.426 26.730 374 HZ3 LYS 59 2HZ LYS 59 5.489 -9.241 25.158 375 H THR 60 H THR 60 12.237 -13.025 23.856 376 HA THR 60 HA THR 60 10.554 -15.337 22.790 377 HB THR 60 HB THR 60 12.976 -15.345 22.036 378 HG1 THR 60 HG1 THR 60 13.348 -17.542 23.187 379 HG21 THR 60 1HG2 THR 60 14.733 -15.911 23.730 380 HG22 THR 60 2HG2 THR 60 13.596 -15.564 25.025 381 HG23 THR 60 3HG2 THR 60 14.084 -14.334 23.894 382 HXT THR 60 H02 THR 60 10.116 -16.804 23.899 Start of MODEL 39 1 H1 GLY 1 2H0 GLY 1 2.130 2.036 -6.069 2 H2 GLY 1 1H0 GLY 1 1.748 0.508 -5.716 3 HA2 GLY 1 1HA GLY 1 3.403 2.412 -4.253 4 HA3 GLY 1 2HA GLY 1 2.331 1.335 -3.284 5 H ILE 2 H ILE 2 5.375 1.628 -3.643 6 HA ILE 2 HA ILE 2 6.234 -0.785 -5.066 7 HB ILE 2 HB ILE 2 7.755 1.026 -4.661 8 HG12 ILE 2 1HG1 ILE 2 8.710 -1.503 -3.374 9 HG13 ILE 2 2HG1 ILE 2 8.581 -1.229 -5.147 10 HG21 ILE 2 1HG2 ILE 2 7.247 0.472 -1.764 11 HG22 ILE 2 2HG2 ILE 2 8.736 1.239 -2.281 12 HG23 ILE 2 3HG2 ILE 2 7.234 2.026 -2.628 13 HD11 ILE 2 3HD1 ILE 2 10.227 0.709 -4.918 14 HD12 ILE 2 1HD1 ILE 2 10.487 0.178 -3.210 15 HD13 ILE 2 2HD1 ILE 2 10.888 -0.883 -4.540 16 H VAL 3 H VAL 3 5.036 -0.329 -1.792 17 HA VAL 3 HA VAL 3 6.116 -2.796 -0.720 18 HB VAL 3 HB VAL 3 3.629 -1.193 0.049 19 HG11 VAL 3 1HG1 VAL 3 3.734 -2.344 2.271 20 HG12 VAL 3 2HG1 VAL 3 3.541 -3.567 0.984 21 HG13 VAL 3 3HG1 VAL 3 5.161 -3.313 1.715 22 HG21 VAL 3 3HG2 VAL 3 5.665 0.145 0.266 23 HG22 VAL 3 1HG2 VAL 3 5.076 -0.311 1.875 24 HG23 VAL 3 2HG2 VAL 3 6.479 -1.152 1.168 25 H GLU 4 H GLU 4 2.990 -1.912 -2.226 26 HA GLU 4 HA GLU 4 1.997 -4.563 -2.002 27 HB2 GLU 4 1HB GLU 4 0.110 -3.824 -3.297 28 HB3 GLU 4 2HB GLU 4 0.477 -2.630 -2.021 29 HG2 GLU 4 1HG GLU 4 1.500 -1.138 -3.758 30 HG3 GLU 4 2HG GLU 4 1.116 -2.340 -5.017 31 HE2 GLU 4 HE2 GLU 4 -2.005 -0.565 -3.257 32 H GLN 5 H GLN 5 3.818 -2.798 -4.480 33 HA GLN 5 HA GLN 5 3.292 -4.701 -6.604 34 HB2 GLN 5 1HB GLN 5 5.433 -2.611 -6.043 35 HB3 GLN 5 2HB GLN 5 5.697 -3.828 -7.283 36 HG2 GLN 5 1HG GLN 5 3.149 -2.193 -7.390 37 HG3 GLN 5 2HG GLN 5 4.682 -1.475 -7.910 38 HE21 GLN 5 2HE2 GLN 5 5.060 -1.622 -10.115 39 HE22 GLN 5 1HE2 GLN 5 4.512 -2.988 -11.097 40 H CYS 6 H CYS 6 5.772 -4.508 -3.986 41 HA CYS 6 HA CYS 6 7.006 -7.020 -4.987 42 HB2 CYS 6 1HB CYS 6 8.083 -5.186 -3.572 43 HB3 CYS 6 2HB CYS 6 7.325 -5.971 -2.155 44 H CYS 7 H CYS 7 4.964 -6.199 -2.040 45 HA CYS 7 HA CYS 7 4.958 -8.815 -0.970 46 HB2 CYS 7 1HB CYS 7 4.114 -6.987 0.331 47 HB3 CYS 7 2HB CYS 7 2.853 -6.647 -0.825 48 H THR 8 H THR 8 2.532 -7.576 -3.306 49 HA THR 8 HA THR 8 0.886 -9.910 -2.937 50 HB THR 8 HB THR 8 -0.415 -9.119 -4.846 51 HG1 THR 8 HG1 THR 8 1.470 -7.041 -4.968 52 HG21 THR 8 1HG2 THR 8 -0.846 -8.111 -2.576 53 HG22 THR 8 2HG2 THR 8 -1.320 -7.048 -3.931 54 HG23 THR 8 3HG2 THR 8 0.191 -6.747 -3.076 55 H SER 9 H SER 9 0.649 -11.746 -4.254 56 HA SER 9 HA SER 9 1.724 -13.425 -5.391 57 HB2 SER 9 1HB SER 9 1.065 -11.809 -7.318 58 HB3 SER 9 2HB SER 9 2.796 -11.332 -7.345 59 HG SER 9 HG SER 9 1.482 -13.716 -8.031 60 H ILE 10 H ILE 10 4.283 -12.505 -7.051 61 HA ILE 10 HA ILE 10 6.120 -13.454 -4.908 62 HB ILE 10 HB ILE 10 6.489 -13.293 -7.937 63 HG12 ILE 10 1HG1 ILE 10 4.764 -14.989 -7.082 64 HG13 ILE 10 2HG1 ILE 10 6.127 -15.600 -8.063 65 HG21 ILE 10 1HG2 ILE 10 8.296 -14.480 -5.784 66 HG22 ILE 10 2HG2 ILE 10 8.489 -14.770 -7.540 67 HG23 ILE 10 3HG2 ILE 10 8.678 -13.129 -6.853 68 HD11 ILE 10 3HD1 ILE 10 6.022 -15.829 -4.978 69 HD12 ILE 10 1HD1 ILE 10 5.453 -17.074 -6.059 70 HD13 ILE 10 2HD1 ILE 10 7.164 -16.615 -6.060 71 H CYS 11 H CYS 11 7.570 -12.166 -3.982 72 HA CYS 11 HA CYS 11 8.109 -9.427 -4.774 73 HB2 CYS 11 1HB CYS 11 8.299 -11.198 -2.536 74 HB3 CYS 11 2HB CYS 11 9.892 -10.519 -2.837 75 H SER 12 H SER 12 10.051 -8.733 -5.675 76 HA SER 12 HA SER 12 12.073 -10.854 -6.307 77 HB2 SER 12 1HB SER 12 12.498 -9.861 -8.370 78 HB3 SER 12 2HB SER 12 10.683 -9.806 -8.238 79 HG SER 12 HG SER 12 10.847 -7.771 -8.383 80 H LEU 13 H LEU 13 14.289 -10.251 -6.528 81 HA LEU 13 HA LEU 13 15.212 -8.553 -4.510 82 HB2 LEU 13 1HB LEU 13 16.444 -10.432 -5.564 83 HB3 LEU 13 2HB LEU 13 16.607 -9.437 -7.041 84 HG LEU 13 HG LEU 13 17.929 -7.796 -5.781 85 HD11 LEU 13 1HD1 LEU 13 17.861 -9.896 -3.555 86 HD12 LEU 13 2HD1 LEU 13 17.198 -8.295 -3.418 87 HD13 LEU 13 3HD1 LEU 13 18.924 -8.491 -3.599 88 HD21 LEU 13 3HD2 LEU 13 18.943 -9.714 -7.095 89 HD22 LEU 13 1HD2 LEU 13 18.990 -10.691 -5.641 90 HD23 LEU 13 2HD2 LEU 13 19.981 -9.191 -5.752 91 H TYR 14 H TYR 14 14.222 -7.795 -7.816 92 HA TYR 14 HA TYR 14 15.853 -5.393 -8.048 93 HB2 TYR 14 1HB TYR 14 15.094 -6.385 -10.022 94 HB3 TYR 14 2HB TYR 14 13.431 -6.483 -9.482 95 HD1 TYR 14 HD1 TYR 14 16.015 -4.063 -10.787 96 HD2 TYR 14 HD2 TYR 14 11.911 -4.775 -9.823 97 HE1 TYR 14 HE1 TYR 14 15.426 -1.957 -11.853 98 HE2 TYR 14 HE2 TYR 14 11.313 -2.594 -10.894 99 HH TYR 14 HH TYR 14 13.789 -0.522 -12.320 100 H GLN 15 H GLN 15 12.474 -6.046 -7.163 101 HA GLN 15 HA GLN 15 11.783 -3.398 -6.474 102 HB2 GLN 15 1HB GLN 15 10.658 -6.079 -6.103 103 HB3 GLN 15 2HB GLN 15 10.422 -5.020 -4.716 104 HG2 GLN 15 1HG GLN 15 8.505 -4.704 -6.175 105 HG3 GLN 15 2HG GLN 15 9.490 -3.245 -6.399 106 HE21 GLN 15 2HE2 GLN 15 9.472 -2.608 -8.379 107 HE22 GLN 15 1HE2 GLN 15 9.582 -3.626 -9.810 108 H LEU 16 H LEU 16 13.345 -6.038 -4.575 109 HA LEU 16 HA LEU 16 13.091 -4.765 -2.050 110 HB2 LEU 16 1HB LEU 16 14.460 -7.060 -3.107 111 HB3 LEU 16 2HB LEU 16 15.503 -6.231 -1.923 112 HG LEU 16 HG LEU 16 13.553 -6.156 -0.343 113 HD11 LEU 16 1HD1 LEU 16 11.789 -7.894 -0.619 114 HD12 LEU 16 2HD1 LEU 16 12.404 -8.275 -2.228 115 HD13 LEU 16 3HD1 LEU 16 11.720 -6.677 -1.897 116 HD21 LEU 16 3HD2 LEU 16 15.429 -7.691 0.021 117 HD22 LEU 16 1HD2 LEU 16 14.638 -8.904 -1.036 118 HD23 LEU 16 2HD2 LEU 16 13.899 -8.400 0.512 119 H GLU 17 H GLU 17 15.775 -4.768 -4.317 120 HA GLU 17 HA GLU 17 17.466 -3.118 -2.718 121 HB2 GLU 17 1HB GLU 17 17.422 -3.502 -5.737 122 HB3 GLU 17 2HB GLU 17 18.669 -2.589 -4.832 123 HG2 GLU 17 1HG GLU 17 19.132 -4.621 -3.429 124 HG3 GLU 17 2HG GLU 17 18.057 -5.558 -4.483 125 HE2 GLU 17 HE2 GLU 17 20.952 -4.009 -4.114 126 H ASN 18 H ASN 18 14.683 -2.460 -4.835 127 HA ASN 18 HA ASN 18 15.489 0.339 -5.250 128 HB2 ASN 18 1HB ASN 18 13.689 -1.396 -6.453 129 HB3 ASN 18 2HB ASN 18 12.670 -0.369 -5.519 130 HD21 ASN 18 2HD2 ASN 18 11.873 0.098 -7.669 131 HD22 ASN 18 1HD2 ASN 18 12.697 1.401 -8.537 132 H TYR 19 H TYR 19 14.158 -1.375 -2.544 133 HA TYR 19 HA TYR 19 12.745 0.936 -1.451 134 HB2 TYR 19 1HB TYR 19 13.929 -1.554 -0.096 135 HB3 TYR 19 2HB TYR 19 12.980 -0.325 0.768 136 HD1 TYR 19 HD1 TYR 19 10.545 0.251 -0.441 137 HD2 TYR 19 HD2 TYR 19 12.774 -3.393 -0.700 138 HE1 TYR 19 HE1 TYR 19 8.500 -1.010 -0.989 139 HE2 TYR 19 HE2 TYR 19 10.662 -4.701 -1.103 140 HH TYR 19 HH TYR 19 7.633 -3.113 -1.763 141 H CYS 20 H CYS 20 16.000 0.019 -1.944 142 HA CYS 20 HA CYS 20 16.967 2.274 -0.264 143 HB2 CYS 20 1HB CYS 20 18.450 -0.240 -1.016 144 HB3 CYS 20 2HB CYS 20 19.153 1.183 -0.256 145 H ASN 21 H ASN 21 15.982 3.016 -2.470 146 HA ASN 21 HA ASN 21 16.936 3.125 -4.921 147 HB2 ASN 21 1HB ASN 21 15.233 4.653 -4.188 148 HB3 ASN 21 2HB ASN 21 16.446 5.593 -3.319 149 HD21 ASN 21 2HD2 ASN 21 17.326 7.306 -4.486 150 HD22 ASN 21 1HD2 ASN 21 17.280 7.484 -6.165 151 HXT ASN 21 H02 ASN 21 18.794 4.539 -2.508 152 H1 PHE 31 2H0 PHE 31 20.708 -14.591 -2.735 153 H2 PHE 31 1H0 PHE 31 20.170 -15.871 -3.534 154 HA PHE 31 HA PHE 31 18.400 -14.594 -2.230 155 HB2 PHE 31 1HB PHE 31 19.304 -12.370 -3.142 156 HB3 PHE 31 2HB PHE 31 18.641 -12.800 -4.735 157 HD1 PHE 31 HD1 PHE 31 17.961 -11.860 -1.244 158 HD2 PHE 31 HD2 PHE 31 16.128 -12.758 -4.950 159 HE1 PHE 31 HE1 PHE 31 15.843 -10.981 -0.318 160 HE2 PHE 31 HE2 PHE 31 13.909 -11.917 -4.153 161 HZ PHE 31 HZ PHE 31 13.729 -11.007 -1.726 162 H VAL 32 H VAL 32 16.328 -15.117 -2.460 163 HA VAL 32 HA VAL 32 15.744 -16.490 -4.990 164 HB VAL 32 HB VAL 32 16.204 -18.287 -3.374 165 HG11 VAL 32 1HG1 VAL 32 14.984 -18.620 -1.291 166 HG12 VAL 32 2HG1 VAL 32 15.859 -17.078 -1.227 167 HG13 VAL 32 3HG1 VAL 32 14.117 -17.069 -1.539 168 HG21 VAL 32 3HG2 VAL 32 13.172 -17.998 -3.664 169 HG22 VAL 32 1HG2 VAL 32 14.255 -18.537 -4.982 170 HG23 VAL 32 2HG2 VAL 32 14.085 -19.542 -3.499 171 H ASN 33 H ASN 33 13.791 -16.003 -5.876 172 HA ASN 33 HA ASN 33 12.283 -13.822 -4.524 173 HB2 ASN 33 1HB ASN 33 11.783 -15.213 -7.221 174 HB3 ASN 33 2HB ASN 33 10.948 -13.838 -6.634 175 HD21 ASN 33 2HD2 ASN 33 12.426 -14.038 -9.037 176 HD22 ASN 33 1HD2 ASN 33 13.649 -12.820 -8.976 177 H GLN 34 H GLN 34 10.544 -14.136 -3.318 178 HA GLN 34 HA GLN 34 8.986 -16.694 -3.268 179 HB2 GLN 34 1HB GLN 34 10.308 -15.293 -0.890 180 HB3 GLN 34 2HB GLN 34 9.269 -16.729 -0.772 181 HG2 GLN 34 1HG GLN 34 10.980 -17.957 -2.223 182 HG3 GLN 34 2HG GLN 34 12.006 -16.572 -2.017 183 HE21 GLN 34 2HE2 GLN 34 11.114 -19.554 -0.760 184 HE22 GLN 34 1HE2 GLN 34 11.720 -19.338 0.887 185 H HIS 35 H HIS 35 7.112 -16.366 -1.477 186 HA HIS 35 HA HIS 35 5.724 -13.856 -2.085 187 HB2 HIS 35 1HB HIS 35 4.971 -16.166 -0.205 188 HB3 HIS 35 2HB HIS 35 3.929 -14.783 -0.614 189 HD1 HIS 35 HD1 HIS 35 3.538 -14.438 -3.380 190 HD2 HIS 35 HD2 HIS 35 4.292 -18.279 -1.767 191 HE1 HIS 35 HE1 HIS 35 2.729 -16.170 -5.102 192 HE2 HIS 35 HE2 HIS 35 3.173 -18.482 -4.173 193 H LEU 36 H LEU 36 7.870 -12.837 -1.024 194 HA LEU 36 HA LEU 36 7.912 -12.821 1.890 195 HB2 LEU 36 1HB LEU 36 9.238 -11.013 -0.155 196 HB3 LEU 36 2HB LEU 36 9.566 -10.946 1.567 197 HG LEU 36 HG LEU 36 10.110 -13.319 -0.252 198 HD11 LEU 36 1HD1 LEU 36 12.527 -12.735 0.064 199 HD12 LEU 36 2HD1 LEU 36 12.038 -11.286 0.989 200 HD13 LEU 36 3HD1 LEU 36 11.640 -11.410 -0.724 201 HD21 LEU 36 3HD2 LEU 36 11.386 -14.176 1.674 202 HD22 LEU 36 1HD2 LEU 36 9.694 -14.075 2.002 203 HD23 LEU 36 2HD2 LEU 36 10.745 -12.823 2.622 204 H CYS 37 H CYS 37 6.516 -11.693 3.089 205 HA CYS 37 HA CYS 37 5.847 -8.929 2.411 206 HB2 CYS 37 1HB CYS 37 4.097 -10.365 1.156 207 HB3 CYS 37 2HB CYS 37 3.570 -10.926 2.760 208 H GLY 38 H GLY 38 4.358 -8.175 4.383 209 HA2 GLY 38 1HA GLY 38 4.201 -7.880 6.694 210 HA3 GLY 38 2HA GLY 38 4.357 -9.653 6.784 211 H SER 39 H SER 39 5.701 -9.897 8.386 212 HA SER 39 HA SER 39 7.934 -8.332 9.063 213 HB2 SER 39 1HB SER 39 8.487 -10.182 10.556 214 HB3 SER 39 2HB SER 39 6.717 -9.919 10.549 215 HG SER 39 HG SER 39 7.125 -12.127 10.397 216 H HIS 40 H HIS 40 7.513 -11.106 6.859 217 HA HIS 40 HA HIS 40 10.371 -11.694 6.775 218 HB2 HIS 40 1HB HIS 40 7.913 -12.573 5.331 219 HB3 HIS 40 2HB HIS 40 9.388 -12.723 4.407 220 HD1 HIS 40 HD1 HIS 40 9.013 -15.302 4.571 221 HD2 HIS 40 HD2 HIS 40 9.863 -13.478 8.228 222 HE1 HIS 40 HE1 HIS 40 9.687 -17.182 6.256 223 HE2 HIS 40 HE2 HIS 40 10.099 -16.013 8.462 224 H LEU 41 H LEU 41 8.314 -9.446 4.988 225 HA LEU 41 HA LEU 41 10.106 -8.981 2.817 226 HB2 LEU 41 1HB LEU 41 7.747 -8.366 2.846 227 HB3 LEU 41 2HB LEU 41 8.019 -7.155 4.109 228 HG LEU 41 HG LEU 41 9.326 -5.741 2.531 229 HD11 LEU 41 1HD1 LEU 41 10.239 -7.452 1.101 230 HD12 LEU 41 2HD1 LEU 41 9.313 -6.374 0.114 231 HD13 LEU 41 3HD1 LEU 41 8.653 -7.948 0.543 232 HD21 LEU 41 3HD2 LEU 41 7.571 -4.964 1.107 233 HD22 LEU 41 1HD2 LEU 41 6.863 -5.443 2.649 234 HD23 LEU 41 2HD2 LEU 41 6.694 -6.529 1.222 235 H VAL 42 H VAL 42 9.549 -7.151 5.927 236 HA VAL 42 HA VAL 42 11.844 -5.420 5.444 237 HB VAL 42 HB VAL 42 11.808 -5.173 8.039 238 HG11 VAL 42 1HG1 VAL 42 10.882 -3.535 6.239 239 HG12 VAL 42 2HG1 VAL 42 9.308 -4.309 6.518 240 HG13 VAL 42 3HG1 VAL 42 10.054 -3.397 7.848 241 HG21 VAL 42 3HG2 VAL 42 9.068 -6.407 7.698 242 HG22 VAL 42 1HG2 VAL 42 10.461 -7.140 8.593 243 HG23 VAL 42 2HG2 VAL 42 9.684 -5.633 9.131 244 H GLU 43 H GLU 43 11.525 -8.631 7.043 245 HA GLU 43 HA GLU 43 14.180 -8.564 8.212 246 HB2 GLU 43 1HB GLU 43 12.285 -10.708 7.240 247 HB3 GLU 43 2HB GLU 43 13.936 -11.160 7.652 248 HG2 GLU 43 1HG GLU 43 12.154 -9.681 9.518 249 HG3 GLU 43 2HG GLU 43 12.202 -11.459 9.446 250 HE2 GLU 43 HE2 GLU 43 14.708 -9.718 11.691 251 H ALA 44 H ALA 44 13.103 -9.729 4.966 252 HA ALA 44 HA ALA 44 15.702 -10.437 4.128 253 HB1 ALA 44 3HB ALA 44 14.671 -10.654 1.916 254 HB2 ALA 44 1HB ALA 44 13.505 -11.199 3.129 255 HB3 ALA 44 2HB ALA 44 13.312 -9.605 2.390 256 H LEU 45 H LEU 45 13.825 -7.332 3.803 257 HA LEU 45 HA LEU 45 15.691 -6.056 2.090 258 HB2 LEU 45 1HB LEU 45 13.312 -5.618 2.794 259 HB3 LEU 45 2HB LEU 45 13.924 -4.829 4.200 260 HG LEU 45 HG LEU 45 14.096 -3.949 1.334 261 HD11 LEU 45 1HD1 LEU 45 12.605 -2.141 2.395 262 HD12 LEU 45 2HD1 LEU 45 12.620 -3.127 3.859 263 HD13 LEU 45 3HD1 LEU 45 11.945 -3.778 2.373 264 HD21 LEU 45 3HD2 LEU 45 14.998 -1.793 2.312 265 HD22 LEU 45 1HD2 LEU 45 16.114 -3.179 2.138 266 HD23 LEU 45 2HD2 LEU 45 15.431 -2.797 3.733 267 H TYR 46 H TYR 46 15.445 -6.167 5.660 268 HA TYR 46 HA TYR 46 17.584 -4.353 6.173 269 HB2 TYR 46 1HB TYR 46 15.907 -5.025 7.869 270 HB3 TYR 46 2HB TYR 46 16.491 -6.712 7.760 271 HD1 TYR 46 HD1 TYR 46 17.832 -3.245 8.546 272 HD2 TYR 46 HD2 TYR 46 18.118 -7.491 9.186 273 HE1 TYR 46 HE1 TYR 46 19.552 -2.893 10.338 274 HE2 TYR 46 HE2 TYR 46 19.955 -7.112 10.902 275 HH TYR 46 HH TYR 46 21.126 -3.911 11.768 276 H LEU 47 H LEU 47 17.380 -7.984 5.642 277 HA LEU 47 HA LEU 47 20.170 -8.387 6.321 278 HB2 LEU 47 1HB LEU 47 18.198 -9.904 4.703 279 HB3 LEU 47 2HB LEU 47 19.863 -10.530 4.977 280 HG LEU 47 HG LEU 47 17.926 -9.879 7.211 281 HD11 LEU 47 1HD1 LEU 47 16.960 -11.590 5.703 282 HD12 LEU 47 2HD1 LEU 47 17.327 -12.186 7.313 283 HD13 LEU 47 3HD1 LEU 47 18.437 -12.583 5.996 284 HD21 LEU 47 3HD2 LEU 47 20.223 -11.840 7.432 285 HD22 LEU 47 1HD2 LEU 47 19.300 -11.046 8.721 286 HD23 LEU 47 2HD2 LEU 47 20.468 -10.109 7.791 287 H VAL 48 H VAL 48 18.508 -7.552 3.236 288 HA VAL 48 HA VAL 48 21.129 -7.855 1.851 289 HB VAL 48 HB VAL 48 18.919 -8.541 0.783 290 HG11 VAL 48 1HG1 VAL 48 18.552 -5.590 0.165 291 HG12 VAL 48 2HG1 VAL 48 17.500 -6.965 -0.291 292 HG13 VAL 48 3HG1 VAL 48 17.636 -6.470 1.416 293 HG21 VAL 48 3HG2 VAL 48 19.623 -7.866 -1.504 294 HG22 VAL 48 1HG2 VAL 48 20.709 -6.636 -0.807 295 HG23 VAL 48 2HG2 VAL 48 21.022 -8.345 -0.499 296 H CYS 49 H CYS 49 19.267 -5.195 3.180 297 HA CYS 49 HA CYS 49 21.123 -3.295 1.788 298 HB2 CYS 49 1HB CYS 49 18.754 -3.084 1.203 299 HB3 CYS 49 2HB CYS 49 18.418 -2.730 2.895 300 H GLY 50 H GLY 50 19.895 -4.068 5.019 301 HA2 GLY 50 1HA GLY 50 20.799 -3.545 7.016 302 HA3 GLY 50 2HA GLY 50 22.106 -2.717 6.210 303 H GLU 51 H GLU 51 21.811 -0.533 5.608 304 HA GLU 51 HA GLU 51 21.446 1.650 6.110 305 HB2 GLU 51 1HB GLU 51 18.659 1.022 7.003 306 HB3 GLU 51 2HB GLU 51 19.224 2.474 6.239 307 HG2 GLU 51 1HG GLU 51 19.558 1.152 4.152 308 HG3 GLU 51 2HG GLU 51 18.891 -0.258 4.969 309 HE2 GLU 51 HE2 GLU 51 16.896 -0.156 5.590 310 H GLN 52 H GLN 52 19.855 2.940 8.063 311 HA GLN 52 HA GLN 52 21.501 2.538 10.414 312 HB2 GLN 52 1HB GLN 52 19.033 4.284 9.828 313 HB3 GLN 52 2HB GLN 52 20.044 4.392 11.320 314 HG2 GLN 52 1HG GLN 52 20.974 4.936 8.390 315 HG3 GLN 52 2HG GLN 52 20.722 6.158 9.686 316 HE21 GLN 52 2HE2 GLN 52 22.162 6.216 11.472 317 HE22 GLN 52 1HE2 GLN 52 23.774 5.591 11.351 318 H GLY 53 H GLY 53 19.070 0.753 9.246 319 HA2 GLY 53 1HA GLY 53 17.786 -0.934 10.320 320 HA3 GLY 53 2HA GLY 53 17.948 -0.061 11.848 321 H PHE 54 H PHE 54 15.432 -1.061 10.874 322 HA PHE 54 HA PHE 54 14.021 1.223 9.729 323 HB2 PHE 54 1HB PHE 54 13.244 -1.615 10.384 324 HB3 PHE 54 2HB PHE 54 11.990 -0.422 10.097 325 HD1 PHE 54 HD2 PHE 54 12.152 0.956 7.867 326 HD2 PHE 54 HD1 PHE 54 14.266 -2.696 8.561 327 HE1 PHE 54 HE2 PHE 54 12.389 0.743 5.442 328 HE2 PHE 54 HE1 PHE 54 14.635 -2.955 6.112 329 HZ PHE 54 HZ PHE 54 13.632 -1.180 4.575 330 H PHE 55 H PHE 55 14.595 -0.034 12.905 331 HA PHE 55 HA PHE 55 13.752 0.590 14.980 332 HB2 PHE 55 1HB PHE 55 14.802 2.735 13.956 333 HB3 PHE 55 2HB PHE 55 13.144 3.258 13.694 334 HD1 PHE 55 HD2 PHE 55 15.613 2.163 16.312 335 HD2 PHE 55 HD1 PHE 55 11.920 4.238 15.532 336 HE1 PHE 55 HE2 PHE 55 15.535 2.941 18.683 337 HE2 PHE 55 HE1 PHE 55 11.953 5.128 17.893 338 HZ PHE 55 HZ PHE 55 13.700 4.516 19.456 339 H TYR 56 H TYR 56 11.913 -0.893 13.628 340 HA TYR 56 HA TYR 56 9.300 0.182 14.563 341 HB2 TYR 56 1HB TYR 56 9.518 0.819 12.143 342 HB3 TYR 56 2HB TYR 56 9.884 -0.897 11.768 343 HD1 TYR 56 HD2 TYR 56 7.230 1.293 13.143 344 HD2 TYR 56 HD1 TYR 56 8.153 -2.492 11.320 345 HE1 TYR 56 HE2 TYR 56 4.803 0.839 12.825 346 HE2 TYR 56 HE1 TYR 56 5.720 -2.999 11.164 347 HH TYR 56 HH TYR 56 3.206 -0.634 12.036 348 H THR 57 H THR 57 8.185 -1.294 15.571 349 HA THR 57 HA THR 57 8.572 -4.140 14.870 350 HB THR 57 HB THR 57 10.033 -4.197 16.648 351 HG1 THR 57 HG1 THR 57 8.260 -5.604 17.002 352 HG21 THR 57 1HG2 THR 57 8.280 -2.138 18.041 353 HG22 THR 57 2HG2 THR 57 9.950 -1.966 17.424 354 HG23 THR 57 3HG2 THR 57 9.649 -3.038 18.837 355 HA PRO 58 HA PRO 58 4.171 -3.172 15.286 356 HB2 PRO 58 1HB PRO 58 3.148 -5.289 13.866 357 HB3 PRO 58 2HB PRO 58 3.856 -3.845 13.044 358 HG2 PRO 58 1HG PRO 58 5.109 -6.490 13.691 359 HG3 PRO 58 2HG PRO 58 5.135 -5.592 12.130 360 HD2 PRO 58 1HD PRO 58 7.194 -5.572 13.855 361 HD3 PRO 58 2HD PRO 58 6.760 -4.130 12.927 362 H LYS 59 H LYS 59 2.649 -3.935 16.779 363 HA LYS 59 HA LYS 59 2.861 -6.650 17.889 364 HB2 LYS 59 1HB LYS 59 2.715 -5.596 20.274 365 HB3 LYS 59 2HB LYS 59 4.294 -5.668 19.492 366 HG2 LYS 59 1HG LYS 59 4.041 -3.295 18.818 367 HG3 LYS 59 2HG LYS 59 2.482 -3.243 19.709 368 HD2 LYS 59 1HD LYS 59 3.719 -3.829 21.815 369 HD3 LYS 59 2HD LYS 59 5.218 -3.934 20.896 370 HE2 LYS 59 1HE LYS 59 5.136 -1.604 20.259 371 HE3 LYS 59 2HE LYS 59 3.561 -1.384 21.114 372 HZ1 LYS 59 3HZ LYS 59 4.698 -2.012 23.165 373 HZ2 LYS 59 1HZ LYS 59 5.481 -0.740 22.443 374 HZ3 LYS 59 2HZ LYS 59 6.105 -2.238 22.352 375 H THR 60 H THR 60 0.808 -7.408 18.089 376 HA THR 60 HA THR 60 -1.445 -5.427 18.109 377 HB THR 60 HB THR 60 -2.875 -7.395 17.256 378 HG1 THR 60 HG1 THR 60 -1.815 -9.184 16.740 379 HG21 THR 60 1HG2 THR 60 -0.510 -6.328 15.596 380 HG22 THR 60 2HG2 THR 60 -2.222 -5.873 15.446 381 HG23 THR 60 3HG2 THR 60 -1.640 -7.465 14.959 382 HXT THR 60 H02 THR 60 -2.496 -5.205 19.559 Start of MODEL 40 1 H1 GLY 1 2H0 GLY 1 2.406 0.310 -4.005 2 H2 GLY 1 1H0 GLY 1 1.216 0.476 -2.847 3 HA2 GLY 1 1HA GLY 1 3.946 1.537 -2.327 4 HA3 GLY 1 2HA GLY 1 2.858 0.744 -1.204 5 H ILE 2 H ILE 2 5.363 0.349 -0.958 6 HA ILE 2 HA ILE 2 6.663 -1.739 -2.320 7 HB ILE 2 HB ILE 2 7.874 -0.334 -0.640 8 HG12 ILE 2 1HG1 ILE 2 7.969 -3.221 0.141 9 HG13 ILE 2 2HG1 ILE 2 8.661 -2.621 -1.414 10 HG21 ILE 2 1HG2 ILE 2 6.417 -1.900 1.558 11 HG22 ILE 2 2HG2 ILE 2 7.757 -0.758 1.803 12 HG23 ILE 2 3HG2 ILE 2 6.199 -0.147 1.173 13 HD11 ILE 2 3HD1 ILE 2 9.547 -2.100 1.441 14 HD12 ILE 2 1HD1 ILE 2 10.527 -2.789 0.113 15 HD13 ILE 2 2HD1 ILE 2 10.119 -1.042 0.129 16 H VAL 3 H VAL 3 4.355 -1.946 0.454 17 HA VAL 3 HA VAL 3 4.669 -4.811 0.779 18 HB VAL 3 HB VAL 3 2.323 -3.018 1.543 19 HG11 VAL 3 1HG1 VAL 3 2.904 -5.866 2.247 20 HG12 VAL 3 2HG1 VAL 3 1.809 -4.878 3.176 21 HG13 VAL 3 3HG1 VAL 3 1.442 -5.192 1.512 22 HG21 VAL 3 3HG2 VAL 3 3.193 -3.036 3.837 23 HG22 VAL 3 1HG2 VAL 3 4.600 -3.979 3.301 24 HG23 VAL 3 2HG2 VAL 3 4.354 -2.309 2.716 25 H GLU 4 H GLU 4 2.205 -2.880 -0.866 26 HA GLU 4 HA GLU 4 0.697 -4.965 -1.957 27 HB2 GLU 4 1HB GLU 4 1.340 -2.273 -3.207 28 HB3 GLU 4 2HB GLU 4 0.008 -3.355 -3.677 29 HG2 GLU 4 1HG GLU 4 -1.022 -3.125 -1.459 30 HG3 GLU 4 2HG GLU 4 0.255 -2.004 -0.905 31 HE2 GLU 4 HE2 GLU 4 -2.509 -0.698 -3.438 32 H GLN 5 H GLN 5 3.641 -3.364 -3.428 33 HA GLN 5 HA GLN 5 3.558 -5.010 -5.757 34 HB2 GLN 5 1HB GLN 5 4.897 -2.892 -5.343 35 HB3 GLN 5 2HB GLN 5 6.058 -3.851 -4.459 36 HG2 GLN 5 1HG GLN 5 5.333 -4.472 -7.356 37 HG3 GLN 5 2HG GLN 5 6.621 -3.302 -6.949 38 HE21 GLN 5 2HE2 GLN 5 6.411 -6.261 -8.004 39 HE22 GLN 5 1HE2 GLN 5 7.744 -7.004 -7.220 40 H CYS 6 H CYS 6 5.648 -5.503 -2.783 41 HA CYS 6 HA CYS 6 6.563 -8.046 -3.867 42 HB2 CYS 6 1HB CYS 6 6.916 -6.575 -1.335 43 HB3 CYS 6 2HB CYS 6 7.436 -8.244 -1.428 44 H CYS 7 H CYS 7 3.703 -7.308 -1.960 45 HA CYS 7 HA CYS 7 3.562 -10.072 -0.991 46 HB2 CYS 7 1HB CYS 7 2.676 -7.996 0.268 47 HB3 CYS 7 2HB CYS 7 1.377 -7.949 -0.940 48 H THR 8 H THR 8 1.965 -8.135 -3.544 49 HA THR 8 HA THR 8 0.143 -10.295 -4.153 50 HB THR 8 HB THR 8 -0.491 -8.863 -6.095 51 HG1 THR 8 HG1 THR 8 1.239 -6.867 -5.136 52 HG21 THR 8 1HG2 THR 8 -0.259 -7.311 -3.480 53 HG22 THR 8 2HG2 THR 8 -1.556 -8.425 -3.908 54 HG23 THR 8 3HG2 THR 8 -1.365 -6.940 -4.858 55 H SER 9 H SER 9 3.365 -9.511 -5.123 56 HA SER 9 HA SER 9 3.291 -11.787 -6.989 57 HB2 SER 9 1HB SER 9 3.009 -9.818 -8.360 58 HB3 SER 9 2HB SER 9 4.535 -9.126 -7.778 59 HG SER 9 HG SER 9 4.131 -10.952 -9.704 60 H ILE 10 H ILE 10 5.518 -12.637 -7.419 61 HA ILE 10 HA ILE 10 7.006 -12.462 -4.889 62 HB ILE 10 HB ILE 10 7.471 -14.236 -7.394 63 HG12 ILE 10 1HG1 ILE 10 6.528 -14.999 -4.589 64 HG13 ILE 10 2HG1 ILE 10 5.465 -14.769 -5.961 65 HG21 ILE 10 1HG2 ILE 10 9.220 -15.383 -6.183 66 HG22 ILE 10 2HG2 ILE 10 9.578 -13.643 -6.050 67 HG23 ILE 10 3HG2 ILE 10 8.843 -14.490 -4.663 68 HD11 ILE 10 3HD1 ILE 10 7.477 -17.037 -5.411 69 HD12 ILE 10 1HD1 ILE 10 5.720 -17.147 -5.727 70 HD13 ILE 10 2HD1 ILE 10 6.841 -16.758 -7.076 71 H CYS 11 H CYS 11 8.468 -10.993 -4.600 72 HA CYS 11 HA CYS 11 9.706 -9.719 -6.969 73 HB2 CYS 11 1HB CYS 11 10.254 -7.926 -5.484 74 HB3 CYS 11 2HB CYS 11 8.521 -8.236 -5.448 75 H SER 12 H SER 12 11.997 -9.237 -6.879 76 HA SER 12 HA SER 12 13.572 -11.259 -5.308 77 HB2 SER 12 1HB SER 12 13.689 -10.716 -8.320 78 HB3 SER 12 2HB SER 12 14.921 -11.606 -7.439 79 HG SER 12 HG SER 12 13.411 -13.144 -6.886 80 H LEU 13 H LEU 13 16.100 -10.570 -5.670 81 HA LEU 13 HA LEU 13 16.445 -8.083 -4.285 82 HB2 LEU 13 1HB LEU 13 18.342 -9.625 -6.121 83 HB3 LEU 13 2HB LEU 13 18.823 -8.272 -5.090 84 HG LEU 13 HG LEU 13 17.710 -10.909 -4.144 85 HD11 LEU 13 1HD1 LEU 13 19.899 -11.030 -5.279 86 HD12 LEU 13 2HD1 LEU 13 19.918 -11.524 -3.574 87 HD13 LEU 13 3HD1 LEU 13 20.560 -9.922 -4.040 88 HD21 LEU 13 3HD2 LEU 13 19.037 -8.632 -2.558 89 HD22 LEU 13 1HD2 LEU 13 18.556 -10.206 -1.909 90 HD23 LEU 13 2HD2 LEU 13 17.312 -9.078 -2.515 91 H TYR 14 H TYR 14 16.356 -8.741 -7.765 92 HA TYR 14 HA TYR 14 17.475 -6.255 -8.722 93 HB2 TYR 14 1HB TYR 14 16.652 -8.404 -9.940 94 HB3 TYR 14 2HB TYR 14 15.081 -7.608 -9.955 95 HD1 TYR 14 HD1 TYR 14 14.976 -5.185 -11.047 96 HD2 TYR 14 HD2 TYR 14 18.221 -7.921 -11.544 97 HE1 TYR 14 HE1 TYR 14 15.849 -3.802 -12.931 98 HE2 TYR 14 HE2 TYR 14 19.048 -6.618 -13.566 99 HH TYR 14 HH TYR 14 17.516 -3.620 -14.560 100 H GLN 15 H GLN 15 14.047 -7.025 -7.860 101 HA GLN 15 HA GLN 15 13.339 -4.240 -8.254 102 HB2 GLN 15 1HB GLN 15 11.868 -6.401 -8.481 103 HB3 GLN 15 2HB GLN 15 11.781 -6.354 -6.701 104 HG2 GLN 15 1HG GLN 15 9.880 -5.197 -7.241 105 HG3 GLN 15 2HG GLN 15 11.033 -3.890 -7.101 106 HE21 GLN 15 2HE2 GLN 15 8.688 -5.321 -8.986 107 HE22 GLN 15 1HE2 GLN 15 9.106 -4.462 -10.498 108 H LEU 16 H LEU 16 14.062 -6.447 -5.489 109 HA LEU 16 HA LEU 16 13.070 -4.685 -3.530 110 HB2 LEU 16 1HB LEU 16 13.624 -7.136 -3.365 111 HB3 LEU 16 2HB LEU 16 15.332 -6.664 -3.134 112 HG LEU 16 HG LEU 16 14.526 -5.402 -1.048 113 HD11 LEU 16 1HD1 LEU 16 12.182 -6.320 -0.213 114 HD12 LEU 16 2HD1 LEU 16 11.889 -6.634 -1.958 115 HD13 LEU 16 3HD1 LEU 16 12.264 -4.987 -1.415 116 HD21 LEU 16 3HD2 LEU 16 15.441 -7.645 -0.837 117 HD22 LEU 16 1HD2 LEU 16 13.831 -8.347 -1.093 118 HD23 LEU 16 2HD2 LEU 16 14.176 -7.346 0.355 119 H GLU 17 H GLU 17 16.324 -4.781 -4.913 120 HA GLU 17 HA GLU 17 17.519 -2.972 -3.024 121 HB2 GLU 17 1HB GLU 17 17.997 -3.643 -5.962 122 HB3 GLU 17 2HB GLU 17 19.034 -2.567 -4.989 123 HG2 GLU 17 1HG GLU 17 19.614 -4.297 -3.508 124 HG3 GLU 17 2HG GLU 17 18.484 -5.443 -4.178 125 HE2 GLU 17 HE2 GLU 17 18.792 -5.897 -6.282 126 H ASN 18 H ASN 18 15.125 -2.392 -5.616 127 HA ASN 18 HA ASN 18 15.838 0.415 -5.979 128 HB2 ASN 18 1HB ASN 18 14.421 -0.821 -7.525 129 HB3 ASN 18 2HB ASN 18 13.121 -0.907 -6.292 130 HD21 ASN 18 2HD2 ASN 18 14.942 1.198 -8.533 131 HD22 ASN 18 1HD2 ASN 18 13.765 2.516 -8.513 132 H TYR 19 H TYR 19 14.254 -1.250 -3.386 133 HA TYR 19 HA TYR 19 12.993 1.197 -2.358 134 HB2 TYR 19 1HB TYR 19 13.387 -1.527 -1.083 135 HB3 TYR 19 2HB TYR 19 12.330 -0.210 -0.424 136 HD1 TYR 19 HD2 TYR 19 10.552 0.760 -2.278 137 HD2 TYR 19 HD1 TYR 19 12.317 -3.148 -2.377 138 HE1 TYR 19 HE2 TYR 19 8.664 -0.051 -3.759 139 HE2 TYR 19 HE1 TYR 19 10.457 -3.952 -3.855 140 HH TYR 19 HH TYR 19 8.564 -3.481 -4.869 141 H CYS 20 H CYS 20 16.096 0.050 -2.389 142 HA CYS 20 HA CYS 20 16.945 1.704 -0.121 143 HB2 CYS 20 1HB CYS 20 17.470 -0.830 -0.002 144 HB3 CYS 20 2HB CYS 20 18.458 -0.553 -1.425 145 H ASN 21 H ASN 21 16.297 2.766 -2.553 146 HA ASN 21 HA ASN 21 18.804 3.092 -4.119 147 HB2 ASN 21 1HB ASN 21 16.076 4.470 -4.237 148 HB3 ASN 21 2HB ASN 21 17.477 5.333 -4.950 149 HD21 ASN 21 2HD2 ASN 21 15.540 4.695 -6.643 150 HD22 ASN 21 1HD2 ASN 21 15.956 3.371 -7.670 151 HXT ASN 21 H02 ASN 21 18.690 5.886 -1.503 152 H1 PHE 31 2H0 PHE 31 19.942 -16.428 -1.104 153 H2 PHE 31 1H0 PHE 31 19.867 -16.045 -2.622 154 HA PHE 31 HA PHE 31 18.120 -14.795 -0.560 155 HB2 PHE 31 1HB PHE 31 18.925 -13.348 -2.380 156 HB3 PHE 31 2HB PHE 31 18.179 -14.356 -3.582 157 HD1 PHE 31 HD2 PHE 31 17.577 -12.078 -0.716 158 HD2 PHE 31 HD1 PHE 31 15.842 -14.190 -4.058 159 HE1 PHE 31 HE2 PHE 31 15.500 -10.691 -0.558 160 HE2 PHE 31 HE1 PHE 31 13.797 -12.846 -3.800 161 HZ PHE 31 HZ PHE 31 13.558 -11.059 -2.118 162 H VAL 32 H VAL 32 15.957 -15.249 -0.799 163 HA VAL 32 HA VAL 32 15.217 -17.753 -2.297 164 HB VAL 32 HB VAL 32 13.449 -17.990 -0.432 165 HG11 VAL 32 1HG1 VAL 32 16.349 -18.651 0.140 166 HG12 VAL 32 2HG1 VAL 32 14.899 -19.532 0.708 167 HG13 VAL 32 3HG1 VAL 32 15.305 -19.506 -1.012 168 HG21 VAL 32 3HG2 VAL 32 15.563 -16.536 1.208 169 HG22 VAL 32 1HG2 VAL 32 14.032 -15.822 0.729 170 HG23 VAL 32 2HG2 VAL 32 14.012 -17.219 1.767 171 H ASN 33 H ASN 33 13.569 -17.728 -3.548 172 HA ASN 33 HA ASN 33 12.044 -15.268 -3.831 173 HB2 ASN 33 1HB ASN 33 12.607 -17.642 -5.395 174 HB3 ASN 33 2HB ASN 33 10.963 -17.031 -5.611 175 HD21 ASN 33 2HD2 ASN 33 11.002 -16.112 -7.540 176 HD22 ASN 33 1HD2 ASN 33 12.149 -14.883 -8.070 177 H GLN 34 H GLN 34 10.399 -14.862 -2.471 178 HA GLN 34 HA GLN 34 8.141 -16.774 -2.415 179 HB2 GLN 34 1HB GLN 34 8.109 -17.116 -0.061 180 HB3 GLN 34 2HB GLN 34 9.699 -17.571 -0.626 181 HG2 GLN 34 1HG GLN 34 10.623 -15.318 0.161 182 HG3 GLN 34 2HG GLN 34 9.008 -14.950 0.802 183 HE21 GLN 34 2HE2 GLN 34 12.022 -16.073 1.480 184 HE22 GLN 34 1HE2 GLN 34 11.711 -16.854 2.986 185 H HIS 35 H HIS 35 6.290 -15.516 -1.053 186 HA HIS 35 HA HIS 35 6.304 -12.798 -2.022 187 HB2 HIS 35 1HB HIS 35 4.428 -14.377 -0.331 188 HB3 HIS 35 2HB HIS 35 4.153 -12.678 -0.792 189 HD1 HIS 35 HD1 HIS 35 4.086 -12.205 -3.506 190 HD2 HIS 35 HD2 HIS 35 3.556 -16.191 -2.305 191 HE1 HIS 35 HE1 HIS 35 3.122 -13.442 -5.439 192 HE2 HIS 35 HE2 HIS 35 2.820 -15.854 -4.742 193 H LEU 36 H LEU 36 6.375 -10.914 -0.864 194 HA LEU 36 HA LEU 36 7.412 -11.169 1.899 195 HB2 LEU 36 1HB LEU 36 8.473 -9.866 -0.543 196 HB3 LEU 36 2HB LEU 36 8.573 -8.921 0.915 197 HG LEU 36 HG LEU 36 9.984 -10.669 1.976 198 HD11 LEU 36 1HD1 LEU 36 11.230 -12.273 0.473 199 HD12 LEU 36 2HD1 LEU 36 10.049 -11.894 -0.842 200 HD13 LEU 36 3HD1 LEU 36 9.523 -12.722 0.642 201 HD21 LEU 36 3HD2 LEU 36 10.901 -9.573 -0.696 202 HD22 LEU 36 1HD2 LEU 36 11.938 -9.965 0.655 203 HD23 LEU 36 2HD2 LEU 36 10.804 -8.611 0.742 204 H CYS 37 H CYS 37 5.446 -10.687 2.873 205 HA CYS 37 HA CYS 37 4.042 -8.259 1.971 206 HB2 CYS 37 1HB CYS 37 3.181 -10.381 3.970 207 HB3 CYS 37 2HB CYS 37 2.159 -9.072 3.309 208 H GLY 38 H GLY 38 5.095 -9.665 5.070 209 HA2 GLY 38 1HA GLY 38 5.260 -6.911 6.183 210 HA3 GLY 38 2HA GLY 38 4.407 -8.202 7.055 211 H SER 39 H SER 39 5.686 -9.843 8.029 212 HA SER 39 HA SER 39 8.205 -8.951 8.972 213 HB2 SER 39 1HB SER 39 8.373 -11.655 9.436 214 HB3 SER 39 2HB SER 39 7.419 -10.463 10.365 215 HG SER 39 HG SER 39 5.952 -11.915 9.892 216 H HIS 40 H HIS 40 7.603 -11.282 6.374 217 HA HIS 40 HA HIS 40 10.300 -11.950 5.893 218 HB2 HIS 40 1HB HIS 40 7.941 -11.880 3.960 219 HB3 HIS 40 2HB HIS 40 9.506 -12.604 3.616 220 HD1 HIS 40 HD1 HIS 40 7.122 -14.438 3.381 221 HD2 HIS 40 HD2 HIS 40 9.234 -13.856 6.998 222 HE1 HIS 40 HE1 HIS 40 6.685 -16.508 4.879 223 HE2 HIS 40 HE2 HIS 40 7.948 -16.112 7.013 224 H LEU 41 H LEU 41 8.307 -9.303 4.748 225 HA LEU 41 HA LEU 41 10.104 -8.274 2.816 226 HB2 LEU 41 1HB LEU 41 7.671 -7.626 2.954 227 HB3 LEU 41 2HB LEU 41 7.960 -6.832 4.459 228 HG LEU 41 HG LEU 41 9.422 -5.148 3.301 229 HD11 LEU 41 1HD1 LEU 41 9.968 -6.559 1.349 230 HD12 LEU 41 2HD1 LEU 41 9.178 -5.082 0.783 231 HD13 LEU 41 3HD1 LEU 41 8.280 -6.616 0.837 232 HD21 LEU 41 3HD2 LEU 41 6.656 -5.251 2.038 233 HD22 LEU 41 1HD2 LEU 41 7.657 -3.857 2.502 234 HD23 LEU 41 2HD2 LEU 41 6.918 -4.874 3.752 235 H VAL 42 H VAL 42 9.477 -7.289 6.263 236 HA VAL 42 HA VAL 42 11.607 -5.402 6.411 237 HB VAL 42 HB VAL 42 10.492 -7.254 8.529 238 HG11 VAL 42 1HG1 VAL 42 12.655 -6.040 9.327 239 HG12 VAL 42 2HG1 VAL 42 11.826 -4.515 8.996 240 HG13 VAL 42 3HG1 VAL 42 11.193 -5.603 10.246 241 HG21 VAL 42 3HG2 VAL 42 9.671 -4.388 7.812 242 HG22 VAL 42 1HG2 VAL 42 8.733 -5.817 7.418 243 HG23 VAL 42 2HG2 VAL 42 8.964 -5.365 9.111 244 H GLU 43 H GLU 43 11.531 -8.852 7.051 245 HA GLU 43 HA GLU 43 14.187 -9.076 8.072 246 HB2 GLU 43 1HB GLU 43 12.299 -10.965 6.661 247 HB3 GLU 43 2HB GLU 43 13.950 -11.448 7.018 248 HG2 GLU 43 1HG GLU 43 13.561 -11.148 9.360 249 HG3 GLU 43 2HG GLU 43 11.980 -10.481 9.074 250 HE2 GLU 43 HE2 GLU 43 13.292 -12.975 10.123 251 H ALA 44 H ALA 44 13.012 -9.570 4.669 252 HA ALA 44 HA ALA 44 15.623 -10.242 3.781 253 HB1 ALA 44 3HB ALA 44 13.669 -10.958 2.536 254 HB2 ALA 44 1HB ALA 44 13.202 -9.249 2.301 255 HB3 ALA 44 2HB ALA 44 14.685 -9.891 1.488 256 H LEU 45 H LEU 45 13.687 -7.213 3.780 257 HA LEU 45 HA LEU 45 15.547 -5.713 2.327 258 HB2 LEU 45 1HB LEU 45 13.166 -5.218 2.969 259 HB3 LEU 45 2HB LEU 45 13.750 -4.665 4.535 260 HG LEU 45 HG LEU 45 15.210 -3.009 3.391 261 HD11 LEU 45 1HD1 LEU 45 15.432 -4.091 1.161 262 HD12 LEU 45 2HD1 LEU 45 14.843 -2.413 1.023 263 HD13 LEU 45 3HD1 LEU 45 13.708 -3.766 0.849 264 HD21 LEU 45 3HD2 LEU 45 13.078 -2.323 4.225 265 HD22 LEU 45 1HD2 LEU 45 12.252 -2.924 2.780 266 HD23 LEU 45 2HD2 LEU 45 13.354 -1.521 2.669 267 H TYR 46 H TYR 46 15.344 -6.335 5.829 268 HA TYR 46 HA TYR 46 17.590 -4.578 6.556 269 HB2 TYR 46 1HB TYR 46 15.954 -5.434 8.142 270 HB3 TYR 46 2HB TYR 46 16.478 -7.104 7.859 271 HD1 TYR 46 HD1 TYR 46 17.522 -3.826 9.260 272 HD2 TYR 46 HD2 TYR 46 18.556 -7.924 8.771 273 HE1 TYR 46 HE1 TYR 46 19.364 -3.558 10.918 274 HE2 TYR 46 HE2 TYR 46 20.374 -7.713 10.545 275 HH TYR 46 HH TYR 46 21.591 -6.182 11.902 276 H LEU 47 H LEU 47 17.370 -8.069 5.462 277 HA LEU 47 HA LEU 47 20.188 -8.546 6.004 278 HB2 LEU 47 1HB LEU 47 18.122 -9.858 4.230 279 HB3 LEU 47 2HB LEU 47 19.765 -10.406 4.317 280 HG LEU 47 HG LEU 47 18.059 -10.133 6.809 281 HD11 LEU 47 1HD1 LEU 47 17.642 -12.609 6.492 282 HD12 LEU 47 2HD1 LEU 47 18.127 -12.400 4.760 283 HD13 LEU 47 3HD1 LEU 47 16.725 -11.520 5.432 284 HD21 LEU 47 3HD2 LEU 47 19.545 -11.808 7.760 285 HD22 LEU 47 1HD2 LEU 47 20.572 -10.529 7.130 286 HD23 LEU 47 2HD2 LEU 47 20.397 -12.043 6.200 287 H VAL 48 H VAL 48 18.359 -7.139 3.285 288 HA VAL 48 HA VAL 48 20.689 -7.298 1.503 289 HB VAL 48 HB VAL 48 17.981 -5.899 1.333 290 HG11 VAL 48 1HG1 VAL 48 18.646 -5.840 -1.219 291 HG12 VAL 48 2HG1 VAL 48 19.262 -4.546 -0.153 292 HG13 VAL 48 3HG1 VAL 48 20.359 -5.891 -0.606 293 HG21 VAL 48 3HG2 VAL 48 17.354 -7.681 -0.136 294 HG22 VAL 48 1HG2 VAL 48 19.033 -8.297 -0.198 295 HG23 VAL 48 2HG2 VAL 48 18.081 -8.456 1.260 296 H CYS 49 H CYS 49 18.924 -4.643 3.235 297 HA CYS 49 HA CYS 49 21.390 -2.963 2.730 298 HB2 CYS 49 1HB CYS 49 18.791 -2.803 1.532 299 HB3 CYS 49 2HB CYS 49 18.985 -1.417 2.588 300 H GLY 50 H GLY 50 19.895 -4.244 5.266 301 HA2 GLY 50 1HA GLY 50 18.568 -2.284 6.570 302 HA3 GLY 50 2HA GLY 50 19.491 -3.504 7.410 303 H GLU 51 H GLU 51 21.993 -2.890 7.236 304 HA GLU 51 HA GLU 51 23.564 -1.629 8.363 305 HB2 GLU 51 1HB GLU 51 22.921 -0.572 5.968 306 HB3 GLU 51 2HB GLU 51 22.594 0.832 6.978 307 HG2 GLU 51 1HG GLU 51 25.246 -0.388 7.651 308 HG3 GLU 51 2HG GLU 51 25.072 0.003 5.911 309 HE2 GLU 51 HE2 GLU 51 26.541 1.416 6.258 310 H GLN 52 H GLN 52 22.845 1.503 8.780 311 HA GLN 52 HA GLN 52 21.626 1.001 11.474 312 HB2 GLN 52 1HB GLN 52 22.802 3.522 10.099 313 HB3 GLN 52 2HB GLN 52 22.213 3.487 11.749 314 HG2 GLN 52 1HG GLN 52 23.927 1.976 12.473 315 HG3 GLN 52 2HG GLN 52 24.578 1.781 10.814 316 HE21 GLN 52 2HE2 GLN 52 25.847 3.370 9.906 317 HE22 GLN 52 1HE2 GLN 52 26.452 4.752 10.813 318 H GLY 53 H GLY 53 20.493 1.441 8.362 319 HA2 GLY 53 1HA GLY 53 18.806 3.758 8.738 320 HA3 GLY 53 2HA GLY 53 18.796 2.577 7.392 321 H PHE 54 H PHE 54 18.169 0.343 9.239 322 HA PHE 54 HA PHE 54 15.369 0.629 9.044 323 HB2 PHE 54 1HB PHE 54 17.214 -1.431 9.546 324 HB3 PHE 54 2HB PHE 54 15.935 -1.495 10.790 325 HD1 PHE 54 HD2 PHE 54 13.503 -1.316 9.981 326 HD2 PHE 54 HD1 PHE 54 16.729 -2.352 7.416 327 HE1 PHE 54 HE2 PHE 54 11.854 -2.367 8.310 328 HE2 PHE 54 HE1 PHE 54 15.213 -3.505 5.802 329 HZ PHE 54 HZ PHE 54 12.747 -3.542 6.297 330 H PHE 55 H PHE 55 17.607 1.464 11.506 331 HA PHE 55 HA PHE 55 17.391 2.026 13.735 332 HB2 PHE 55 1HB PHE 55 16.128 3.707 12.330 333 HB3 PHE 55 2HB PHE 55 14.635 2.965 12.911 334 HD1 PHE 55 HD1 PHE 55 17.835 4.589 13.994 335 HD2 PHE 55 HD2 PHE 55 13.781 3.714 14.987 336 HE1 PHE 55 HE1 PHE 55 17.961 6.121 15.977 337 HE2 PHE 55 HE2 PHE 55 13.860 5.233 16.936 338 HZ PHE 55 HZ PHE 55 15.936 6.440 17.471 339 H TYR 56 H TYR 56 16.980 -0.630 13.773 340 HA TYR 56 HA TYR 56 14.799 -0.934 15.761 341 HB2 TYR 56 1HB TYR 56 13.900 -1.598 13.504 342 HB3 TYR 56 2HB TYR 56 15.150 -2.870 13.410 343 HD1 TYR 56 HD1 TYR 56 12.224 -1.709 15.469 344 HD2 TYR 56 HD2 TYR 56 14.933 -4.999 14.561 345 HE1 TYR 56 HE1 TYR 56 10.765 -3.223 16.857 346 HE2 TYR 56 HE2 TYR 56 13.460 -6.500 15.987 347 HH TYR 56 HH TYR 56 11.575 -6.669 17.298 348 H THR 57 H THR 57 15.421 -2.366 17.416 349 HA THR 57 HA THR 57 18.117 -3.652 16.936 350 HB THR 57 HB THR 57 18.520 -3.436 19.333 351 HG1 THR 57 HG1 THR 57 16.379 -3.212 20.071 352 HG21 THR 57 1HG2 THR 57 19.413 -1.825 17.787 353 HG22 THR 57 2HG2 THR 57 18.989 -1.113 19.343 354 HG23 THR 57 3HG2 THR 57 17.936 -0.843 17.944 355 HA PRO 58 HA PRO 58 15.215 -6.995 17.885 356 HB2 PRO 58 1HB PRO 58 16.379 -9.019 16.480 357 HB3 PRO 58 2HB PRO 58 15.324 -7.840 15.734 358 HG2 PRO 58 1HG PRO 58 18.331 -7.908 15.788 359 HG3 PRO 58 2HG PRO 58 17.266 -7.545 14.406 360 HD2 PRO 58 1HD PRO 58 18.484 -5.633 15.855 361 HD3 PRO 58 2HD PRO 58 16.895 -5.405 15.066 362 H LYS 59 H LYS 59 15.377 -8.696 19.453 363 HA LYS 59 HA LYS 59 17.737 -8.733 21.165 364 HB2 LYS 59 1HB LYS 59 15.258 -10.475 20.946 365 HB3 LYS 59 2HB LYS 59 16.497 -10.749 22.191 366 HG2 LYS 59 1HG LYS 59 16.176 -8.578 23.090 367 HG3 LYS 59 2HG LYS 59 14.900 -8.235 21.875 368 HD2 LYS 59 1HD LYS 59 13.634 -10.096 22.648 369 HD3 LYS 59 2HD LYS 59 14.787 -10.451 23.940 370 HE2 LYS 59 1HE LYS 59 12.812 -9.088 24.784 371 HE3 LYS 59 2HE LYS 59 14.348 -8.260 24.964 372 HZ1 LYS 59 3HZ LYS 59 12.646 -7.782 22.583 373 HZ2 LYS 59 1HZ LYS 59 13.832 -6.831 23.177 374 HZ3 LYS 59 2HZ LYS 59 12.418 -6.944 24.015 375 H THR 60 H THR 60 16.429 -10.822 18.632 376 HA THR 60 HA THR 60 18.744 -12.635 18.846 377 HB THR 60 HB THR 60 16.537 -12.969 16.807 378 HG1 THR 60 HG1 THR 60 15.950 -14.593 18.758 379 HG21 THR 60 1HG2 THR 60 18.318 -14.915 18.381 380 HG22 THR 60 2HG2 THR 60 18.737 -14.236 16.798 381 HG23 THR 60 3HG2 THR 60 17.305 -15.310 16.922 382 HXT THR 60 H02 THR 60 20.266 -11.352 16.279
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