NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
28766 | 9pcy | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 715 H/Q atoms Start of MODEL 1 1 H LEU 1 H LEU 1 3.278 -9.850 -3.140 2 HA LEU 1 HA LEU 1 2.549 -11.844 -1.373 3 1HB LEU 1 1HB LEU 1 4.206 -10.968 0.139 4 2HB LEU 1 2HB LEU 1 3.464 -9.365 0.154 5 HG LEU 1 HG LEU 1 1.764 -11.723 0.973 6 1HD1 LEU 1 1HD1 LEU 1 3.937 -10.532 2.743 7 2HD1 LEU 1 2HD1 LEU 1 2.643 -11.626 3.283 8 3HD1 LEU 1 3HD1 LEU 1 3.864 -12.201 2.134 9 1HD2 LEU 1 1HD2 LEU 1 0.782 -10.133 2.510 10 2HD2 LEU 1 2HD2 LEU 1 2.092 -8.969 2.252 11 3HD2 LEU 1 3HD2 LEU 1 0.932 -9.289 0.963 12 H GLU 2 H GLU 2 0.355 -11.707 -0.774 13 HA GLU 2 HA GLU 2 -1.148 -9.598 -2.190 14 1HB GLU 2 1HB GLU 2 -1.464 -12.199 -2.403 15 2HB GLU 2 2HB GLU 2 -2.416 -12.021 -0.923 16 1HG GLU 2 1HG GLU 2 -2.845 -10.622 -3.612 17 2HG GLU 2 2HG GLU 2 -3.835 -11.915 -2.928 18 H VAL 3 H VAL 3 -1.877 -7.917 -1.069 19 HA VAL 3 HA VAL 3 -2.318 -8.083 1.865 20 HB VAL 3 HB VAL 3 -1.887 -5.653 0.099 21 1HG1 VAL 3 1HG1 VAL 3 -1.436 -4.509 2.268 22 2HG1 VAL 3 2HG1 VAL 3 -3.086 -5.146 2.205 23 3HG1 VAL 3 3HG1 VAL 3 -1.831 -5.999 3.126 24 1HG2 VAL 3 1HG2 VAL 3 0.150 -7.103 1.823 25 2HG2 VAL 3 2HG2 VAL 3 0.176 -6.945 0.053 26 3HG2 VAL 3 3HG2 VAL 3 0.375 -5.514 1.066 27 H LEU 4 H LEU 4 -4.416 -7.873 2.571 28 HA LEU 4 HA LEU 4 -6.522 -7.134 0.581 29 1HB LEU 4 1HB LEU 4 -6.685 -8.370 3.345 30 2HB LEU 4 2HB LEU 4 -8.076 -7.880 2.389 31 HG LEU 4 HG LEU 4 -6.047 -10.027 1.638 32 1HD1 LEU 4 1HD1 LEU 4 -7.940 -11.554 1.989 33 2HD1 LEU 4 2HD1 LEU 4 -7.662 -10.604 3.460 34 3HD1 LEU 4 3HD1 LEU 4 -9.005 -10.187 2.371 35 1HD2 LEU 4 1HD2 LEU 4 -6.861 -9.013 -0.447 36 2HD2 LEU 4 2HD2 LEU 4 -7.661 -10.564 -0.209 37 3HD2 LEU 4 3HD2 LEU 4 -8.537 -9.063 0.145 38 H LEU 5 H LEU 5 -7.367 -5.196 0.533 39 HA LEU 5 HA LEU 5 -6.685 -3.191 2.583 40 1HB LEU 5 1HB LEU 5 -8.310 -2.939 0.057 41 2HB LEU 5 2HB LEU 5 -7.700 -1.624 1.056 42 HG LEU 5 HG LEU 5 -5.914 -3.600 -0.450 43 1HD1 LEU 5 1HD1 LEU 5 -6.744 -0.767 -1.171 44 2HD1 LEU 5 2HD1 LEU 5 -5.533 -1.737 -2.024 45 3HD1 LEU 5 3HD1 LEU 5 -7.221 -2.255 -2.020 46 1HD2 LEU 5 1HD2 LEU 5 -4.200 -1.819 -0.002 47 2HD2 LEU 5 2HD2 LEU 5 -5.367 -1.001 1.050 48 3HD2 LEU 5 3HD2 LEU 5 -4.785 -2.636 1.458 49 H GLY 6 H GLY 6 -7.808 -3.686 4.412 50 1HA GLY 6 1HA GLY 6 -9.664 -3.229 5.678 51 2HA GLY 6 2HA GLY 6 -10.782 -3.609 4.360 52 H SER 7 H SER 7 -10.249 -4.789 7.265 53 HA SER 7 HA SER 7 -9.509 -7.567 6.681 54 1HB SER 7 1HB SER 7 -9.919 -7.777 9.159 55 2HB SER 7 2HB SER 7 -8.761 -6.547 8.611 56 HG SER 7 HG SER 7 -11.445 -6.088 9.411 57 H GLY 8 H GLY 8 -11.627 -6.843 5.205 58 1HA GLY 8 1HA GLY 8 -13.606 -7.763 4.388 59 2HA GLY 8 2HA GLY 8 -13.575 -8.922 5.723 60 H ASP 9 H ASP 9 -13.795 -7.483 7.940 61 HA ASP 9 HA ASP 9 -16.589 -6.797 8.008 62 1HB ASP 9 1HB ASP 9 -16.303 -6.723 10.359 63 2HB ASP 9 2HB ASP 9 -15.272 -8.036 9.787 64 H GLY 10 H GLY 10 -15.149 -4.927 6.350 65 1HA GLY 10 1HA GLY 10 -15.332 -2.700 5.832 66 2HA GLY 10 2HA GLY 10 -16.307 -2.477 7.286 67 H SER 11 H SER 11 -13.856 -3.620 8.846 68 HA SER 11 HA SER 11 -12.931 -1.124 9.736 69 1HB SER 11 1HB SER 11 -12.786 -3.076 11.123 70 2HB SER 11 2HB SER 11 -11.524 -3.777 10.078 71 HG SER 11 HG SER 11 -10.611 -2.679 11.859 72 H LEU 12 H LEU 12 -11.449 0.216 9.170 73 HA LEU 12 HA LEU 12 -10.201 0.058 6.559 74 1HB LEU 12 1HB LEU 12 -10.118 2.172 8.765 75 2HB LEU 12 2HB LEU 12 -9.641 2.424 7.086 76 HG LEU 12 HG LEU 12 -12.483 1.695 7.974 77 1HD1 LEU 12 1HD1 LEU 12 -11.888 3.861 8.859 78 2HD1 LEU 12 2HD1 LEU 12 -11.245 4.378 7.291 79 3HD1 LEU 12 3HD1 LEU 12 -12.987 4.070 7.485 80 1HD2 LEU 12 1HD2 LEU 12 -11.315 2.548 5.304 81 2HD2 LEU 12 2HD2 LEU 12 -12.074 0.994 5.693 82 3HD2 LEU 12 3HD2 LEU 12 -13.053 2.465 5.666 83 H VAL 13 H VAL 13 -8.937 -1.878 7.356 84 HA VAL 13 HA VAL 13 -6.230 -0.897 8.208 85 HB VAL 13 HB VAL 13 -5.900 -2.987 9.451 86 1HG1 VAL 13 1HG1 VAL 13 -6.596 -0.899 10.603 87 2HG1 VAL 13 2HG1 VAL 13 -8.297 -1.391 10.455 88 3HG1 VAL 13 3HG1 VAL 13 -7.175 -2.357 11.428 89 1HG2 VAL 13 1HG2 VAL 13 -7.806 -4.381 10.121 90 2HG2 VAL 13 2HG2 VAL 13 -8.897 -3.450 9.083 91 3HG2 VAL 13 3HG2 VAL 13 -7.599 -4.428 8.365 92 H PHE 14 H PHE 14 -4.473 -1.758 7.229 93 HA PHE 14 HA PHE 14 -4.885 -3.233 4.695 94 1HB PHE 14 1HB PHE 14 -2.473 -2.033 6.130 95 2HB PHE 14 2HB PHE 14 -2.311 -3.101 4.758 96 HD1 PHE 14 HD1 PHE 14 -3.276 0.294 5.803 97 HD2 PHE 14 HD2 PHE 14 -2.641 -2.397 2.491 98 HE1 PHE 14 HE1 PHE 14 -3.026 2.207 4.245 99 HE2 PHE 14 HE2 PHE 14 -2.294 -0.505 1.018 100 HZ PHE 14 HZ PHE 14 -2.647 1.826 1.828 101 H VAL 15 H VAL 15 -4.693 -5.493 4.657 102 HA VAL 15 HA VAL 15 -3.542 -6.817 7.093 103 HB VAL 15 HB VAL 15 -5.703 -7.807 5.237 104 1HG1 VAL 15 1HG1 VAL 15 -4.347 -9.639 6.219 105 2HG1 VAL 15 2HG1 VAL 15 -4.571 -8.938 7.836 106 3HG1 VAL 15 3HG1 VAL 15 -5.959 -9.585 6.938 107 1HG2 VAL 15 1HG2 VAL 15 -6.595 -5.994 6.584 108 2HG2 VAL 15 2HG2 VAL 15 -7.154 -7.540 7.230 109 3HG2 VAL 15 3HG2 VAL 15 -5.846 -6.665 8.052 110 HA PRO 16 HA PRO 16 -1.556 -7.400 7.574 111 1HB PRO 16 1HB PRO 16 1.176 -7.164 6.578 112 2HB PRO 16 2HB PRO 16 0.511 -8.344 7.731 113 1HG PRO 16 1HG PRO 16 1.328 -9.055 5.184 114 2HG PRO 16 2HG PRO 16 -0.017 -9.869 6.040 115 1HD PRO 16 1HD PRO 16 -0.191 -7.635 4.012 116 2HD PRO 16 2HD PRO 16 -1.109 -9.168 4.058 117 H SER 17 H SER 17 -0.354 -5.555 8.532 118 HA SER 17 HA SER 17 -0.460 -3.064 6.875 119 1HB SER 17 1HB SER 17 -1.938 -3.004 8.801 120 2HB SER 17 2HB SER 17 -0.641 -3.536 9.879 121 HG SER 17 HG SER 17 -0.898 -1.029 8.572 122 H GLU 18 H GLU 18 1.443 -4.496 9.575 123 HA GLU 18 HA GLU 18 3.896 -3.199 8.536 124 1HB GLU 18 1HB GLU 18 3.200 -2.741 10.862 125 2HB GLU 18 2HB GLU 18 3.318 -4.466 11.244 126 1HG GLU 18 1HG GLU 18 5.649 -2.783 10.194 127 2HG GLU 18 2HG GLU 18 5.302 -3.012 11.911 128 H PHE 19 H PHE 19 5.351 -4.587 7.440 129 HA PHE 19 HA PHE 19 5.603 -7.343 8.270 130 1HB PHE 19 1HB PHE 19 4.767 -8.467 6.303 131 2HB PHE 19 2HB PHE 19 3.496 -7.561 7.049 132 HD1 PHE 19 HD1 PHE 19 2.887 -5.211 6.038 133 HD2 PHE 19 HD2 PHE 19 5.054 -8.320 3.966 134 HE1 PHE 19 HE1 PHE 19 1.996 -4.409 3.885 135 HE2 PHE 19 HE2 PHE 19 4.179 -7.468 1.813 136 HZ PHE 19 HZ PHE 19 2.704 -5.480 1.757 137 H SER 20 H SER 20 6.794 -8.602 6.312 138 HA SER 20 HA SER 20 9.042 -6.944 5.342 139 1HB SER 20 1HB SER 20 9.046 -9.479 7.021 140 2HB SER 20 2HB SER 20 10.324 -9.223 5.841 141 HG SER 20 HG SER 20 9.624 -7.417 7.922 142 H VAL 21 H VAL 21 9.901 -7.634 3.365 143 HA VAL 21 HA VAL 21 8.760 -10.000 2.024 144 HB VAL 21 HB VAL 21 8.317 -8.680 0.000 145 1HG1 VAL 21 1HG1 VAL 21 6.463 -9.140 1.592 146 2HG1 VAL 21 2HG1 VAL 21 6.741 -7.534 2.310 147 3HG1 VAL 21 3HG1 VAL 21 6.229 -7.676 0.617 148 1HG2 VAL 21 1HG2 VAL 21 8.932 -6.228 1.677 149 2HG2 VAL 21 2HG2 VAL 21 9.768 -6.775 0.208 150 3HG2 VAL 21 3HG2 VAL 21 8.106 -6.200 0.107 151 HA PRO 22 HA PRO 22 13.031 -9.993 0.705 152 1HB PRO 22 1HB PRO 22 13.012 -11.550 -1.534 153 2HB PRO 22 2HB PRO 22 12.653 -12.216 0.086 154 1HG PRO 22 1HG PRO 22 10.667 -11.302 -2.017 155 2HG PRO 22 2HG PRO 22 10.680 -12.857 -1.141 156 1HD PRO 22 1HD PRO 22 9.119 -10.793 -0.303 157 2HD PRO 22 2HD PRO 22 9.956 -11.835 0.871 158 H SER 23 H SER 23 14.436 -9.104 -0.911 159 HA SER 23 HA SER 23 13.618 -6.716 -2.183 160 1HB SER 23 1HB SER 23 15.966 -8.528 -2.861 161 2HB SER 23 2HB SER 23 15.794 -6.823 -3.318 162 HG SER 23 HG SER 23 15.609 -7.616 -0.602 163 H GLY 24 H GLY 24 12.499 -6.314 -4.007 164 1HA GLY 24 1HA GLY 24 11.887 -6.552 -6.241 165 2HA GLY 24 2HA GLY 24 12.625 -8.152 -6.316 166 H GLU 25 H GLU 25 10.605 -7.898 -3.501 167 HA GLU 25 HA GLU 25 8.781 -9.746 -4.591 168 1HB GLU 25 1HB GLU 25 9.171 -9.473 -2.177 169 2HB GLU 25 2HB GLU 25 8.384 -7.886 -2.220 170 1HG GLU 25 1HG GLU 25 6.839 -9.631 -1.352 171 2HG GLU 25 2HG GLU 25 6.228 -8.956 -2.846 172 H LYS 26 H LYS 26 6.832 -9.593 -5.493 173 HA LYS 26 HA LYS 26 5.853 -7.015 -6.555 174 1HB LYS 26 1HB LYS 26 4.391 -8.598 -7.870 175 2HB LYS 26 2HB LYS 26 6.113 -8.525 -8.263 176 1HG LYS 26 1HG LYS 26 6.534 -10.666 -7.191 177 2HG LYS 26 2HG LYS 26 4.897 -10.707 -6.513 178 1HD LYS 26 1HD LYS 26 5.045 -12.191 -8.416 179 2HD LYS 26 2HD LYS 26 3.944 -10.856 -8.790 180 1HE LYS 26 1HE LYS 26 5.691 -9.752 -10.139 181 2HE LYS 26 2HE LYS 26 6.876 -10.983 -9.657 182 1HZ LYS 26 1HZ LYS 26 4.432 -11.467 -11.211 183 2HZ LYS 26 2HZ LYS 26 5.964 -11.397 -11.811 184 3HZ LYS 26 3HZ LYS 26 5.541 -12.608 -10.778 185 H ILE 27 H ILE 27 4.838 -6.068 -4.810 186 HA ILE 27 HA ILE 27 3.071 -7.665 -3.109 187 HB ILE 27 HB ILE 27 3.448 -4.664 -3.129 188 1HG1 ILE 27 1HG1 ILE 27 4.908 -6.808 -1.506 189 2HG1 ILE 27 2HG1 ILE 27 5.629 -5.802 -2.773 190 1HG2 ILE 27 1HG2 ILE 27 2.514 -4.818 -0.846 191 2HG2 ILE 27 2HG2 ILE 27 1.392 -5.548 -1.973 192 3HG2 ILE 27 3HG2 ILE 27 2.434 -6.585 -0.981 193 1HD1 ILE 27 1HD1 ILE 27 4.564 -4.809 -0.113 194 2HD1 ILE 27 2HD1 ILE 27 6.236 -4.870 -0.680 195 3HD1 ILE 27 3HD1 ILE 27 5.085 -3.758 -1.450 196 H VAL 28 H VAL 28 0.863 -7.730 -3.300 197 HA VAL 28 HA VAL 28 -0.474 -6.202 -5.493 198 HB VAL 28 HB VAL 28 -1.005 -9.014 -4.427 199 1HG1 VAL 28 1HG1 VAL 28 -3.114 -7.914 -5.030 200 2HG1 VAL 28 2HG1 VAL 28 -2.430 -7.397 -6.585 201 3HG1 VAL 28 3HG1 VAL 28 -2.699 -9.121 -6.252 202 1HG2 VAL 28 1HG2 VAL 28 0.967 -8.961 -5.911 203 2HG2 VAL 28 2HG2 VAL 28 -0.397 -9.774 -6.685 204 3HG2 VAL 28 3HG2 VAL 28 0.015 -8.113 -7.148 205 H PHE 29 H PHE 29 -2.174 -4.987 -4.728 206 HA PHE 29 HA PHE 29 -3.096 -5.372 -1.896 207 1HB PHE 29 1HB PHE 29 -2.757 -2.833 -3.513 208 2HB PHE 29 2HB PHE 29 -3.559 -2.943 -1.959 209 HD1 PHE 29 HD1 PHE 29 -2.303 -3.251 0.122 210 HD2 PHE 29 HD2 PHE 29 -0.309 -2.935 -3.682 211 HE1 PHE 29 HE1 PHE 29 -0.202 -2.585 1.282 212 HE2 PHE 29 HE2 PHE 29 1.810 -2.357 -2.500 213 HZ PHE 29 HZ PHE 29 1.851 -2.161 -0.027 214 H LYS 30 H LYS 30 -5.247 -5.981 -1.878 215 HA LYS 30 HA LYS 30 -6.907 -5.313 -4.295 216 1HB LYS 30 1HB LYS 30 -6.292 -7.705 -4.089 217 2HB LYS 30 2HB LYS 30 -7.060 -7.725 -2.499 218 1HG LYS 30 1HG LYS 30 -9.251 -7.349 -3.433 219 2HG LYS 30 2HG LYS 30 -8.568 -6.864 -4.985 220 1HD LYS 30 1HD LYS 30 -9.563 -9.037 -5.173 221 2HD LYS 30 2HD LYS 30 -7.825 -9.171 -5.435 222 1HE LYS 30 1HE LYS 30 -9.078 -9.719 -2.704 223 2HE LYS 30 2HE LYS 30 -9.030 -10.954 -3.969 224 1HZ LYS 30 1HZ LYS 30 -6.664 -9.620 -2.877 225 2HZ LYS 30 2HZ LYS 30 -7.175 -11.143 -2.522 226 3HZ LYS 30 3HZ LYS 30 -6.678 -10.776 -4.049 227 H ASN 31 H ASN 31 -8.833 -4.368 -4.038 228 HA ASN 31 HA ASN 31 -9.658 -3.258 -1.500 229 1HB ASN 31 1HB ASN 31 -10.795 -3.367 -4.312 230 2HB ASN 31 2HB ASN 31 -11.866 -2.997 -2.958 231 1HD2 ASN 31 1HD2 ASN 31 -11.066 0.329 -3.802 232 2HD2 ASN 31 2HD2 ASN 31 -12.117 -0.998 -4.291 233 H ASN 32 H ASN 32 -10.078 -4.737 0.077 234 HA ASN 32 HA ASN 32 -11.764 -7.078 -0.495 235 1HB ASN 32 1HB ASN 32 -9.745 -7.133 0.969 236 2HB ASN 32 2HB ASN 32 -10.586 -6.109 2.124 237 1HD2 ASN 32 1HD2 ASN 32 -11.407 -9.209 3.655 238 2HD2 ASN 32 2HD2 ASN 32 -10.330 -7.807 3.692 239 H ALA 33 H ALA 33 -11.782 -4.360 1.805 240 HA ALA 33 HA ALA 33 -14.627 -3.796 1.395 241 1HB ALA 33 1HB ALA 33 -15.305 -4.310 3.725 242 2HB ALA 33 2HB ALA 33 -14.775 -5.780 2.893 243 3HB ALA 33 3HB ALA 33 -13.691 -4.978 4.052 244 H GLY 34 H GLY 34 -15.326 -1.979 2.941 245 1HA GLY 34 1HA GLY 34 -14.954 0.049 3.946 246 2HA GLY 34 2HA GLY 34 -13.359 -0.531 4.441 247 H PHE 35 H PHE 35 -14.114 -0.584 1.042 248 HA PHE 35 HA PHE 35 -12.050 1.320 0.295 249 1HB PHE 35 1HB PHE 35 -12.806 0.705 -2.005 250 2HB PHE 35 2HB PHE 35 -12.423 -0.624 -0.972 251 HD1 PHE 35 HD2 PHE 35 -15.260 1.437 -2.216 252 HD2 PHE 35 HD1 PHE 35 -13.942 -2.353 -0.649 253 HE1 PHE 35 HE2 PHE 35 -17.594 0.548 -2.392 254 HE2 PHE 35 HE1 PHE 35 -16.295 -3.199 -0.694 255 HZ PHE 35 HZ PHE 35 -18.110 -1.752 -1.574 256 HA PRO 36 HA PRO 36 -12.474 2.666 -2.141 257 1HB PRO 36 1HB PRO 36 -11.748 5.166 -2.678 258 2HB PRO 36 2HB PRO 36 -13.394 4.599 -3.016 259 1HG PRO 36 1HG PRO 36 -12.557 6.067 -0.507 260 2HG PRO 36 2HG PRO 36 -13.860 6.515 -1.655 261 1HD PRO 36 1HD PRO 36 -14.431 5.020 0.530 262 2HD PRO 36 2HD PRO 36 -15.168 4.597 -1.040 263 H HIS 37 H HIS 37 -10.203 2.765 -2.538 264 HA HIS 37 HA HIS 37 -8.511 3.660 -0.320 265 1HB HIS 37 1HB HIS 37 -8.464 0.813 -1.383 266 2HB HIS 37 2HB HIS 37 -7.403 1.443 -0.134 267 HD2 HIS 37 HD2 HIS 37 -10.084 -0.913 -0.401 268 HE1 HIS 37 HE1 HIS 37 -10.420 0.525 3.558 269 HE2 HIS 37 HE2 HIS 37 -10.917 -1.403 1.985 270 H ASN 38 H ASN 38 -6.160 3.282 -0.789 271 HA ASN 38 HA ASN 38 -5.264 2.790 -3.428 272 1HB ASN 38 1HB ASN 38 -4.341 5.024 -3.899 273 2HB ASN 38 2HB ASN 38 -6.095 5.044 -3.870 274 1HD2 ASN 38 1HD2 ASN 38 -5.467 8.058 -2.063 275 2HD2 ASN 38 2HD2 ASN 38 -5.662 7.440 -3.703 276 H VAL 39 H VAL 39 -2.738 3.405 -3.282 277 HA VAL 39 HA VAL 39 -1.791 2.989 -0.487 278 HB VAL 39 HB VAL 39 -0.800 1.414 -2.896 279 1HG1 VAL 39 1HG1 VAL 39 0.844 1.857 -1.048 280 2HG1 VAL 39 2HG1 VAL 39 -0.285 1.097 0.095 281 3HG1 VAL 39 3HG1 VAL 39 0.432 0.151 -1.223 282 1HG2 VAL 39 1HG2 VAL 39 -1.861 -0.536 -1.606 283 2HG2 VAL 39 2HG2 VAL 39 -2.799 0.674 -0.725 284 3HG2 VAL 39 3HG2 VAL 39 -2.976 0.518 -2.483 285 H VAL 40 H VAL 40 -0.851 4.926 -0.189 286 HA VAL 40 HA VAL 40 0.960 6.006 -2.307 287 HB VAL 40 HB VAL 40 -0.434 7.411 0.012 288 1HG1 VAL 40 1HG1 VAL 40 1.707 8.483 -0.584 289 2HG1 VAL 40 2HG1 VAL 40 1.269 8.471 -2.298 290 3HG1 VAL 40 3HG1 VAL 40 0.361 9.478 -1.158 291 1HG2 VAL 40 1HG2 VAL 40 -1.046 7.463 -2.975 292 2HG2 VAL 40 2HG2 VAL 40 -2.081 6.768 -1.706 293 3HG2 VAL 40 3HG2 VAL 40 -1.791 8.506 -1.746 294 H PHE 41 H PHE 41 3.138 6.206 -1.726 295 HA PHE 41 HA PHE 41 3.869 5.060 0.911 296 1HB PHE 41 1HB PHE 41 5.382 5.461 -1.642 297 2HB PHE 41 2HB PHE 41 6.160 5.052 -0.127 298 HD1 PHE 41 HD1 PHE 41 3.616 3.815 -2.546 299 HD2 PHE 41 HD2 PHE 41 6.090 2.876 0.822 300 HE1 PHE 41 HE1 PHE 41 2.971 1.424 -2.757 301 HE2 PHE 41 HE2 PHE 41 5.584 0.450 0.521 302 HZ PHE 41 HZ PHE 41 3.971 -0.265 -1.225 303 H ASP 42 H ASP 42 4.960 6.173 2.441 304 HA ASP 42 HA ASP 42 4.761 9.068 2.378 305 1HB ASP 42 1HB ASP 42 4.428 7.811 4.437 306 2HB ASP 42 2HB ASP 42 6.061 7.141 4.328 307 H GLU 43 H GLU 43 6.093 10.215 1.129 308 HA GLU 43 HA GLU 43 8.350 9.444 -0.184 309 1HB GLU 43 1HB GLU 43 8.815 11.855 -0.487 310 2HB GLU 43 2HB GLU 43 7.141 11.386 -0.816 311 1HG GLU 43 1HG GLU 43 6.441 12.269 1.414 312 2HG GLU 43 2HG GLU 43 8.121 12.713 1.757 313 H ASP 44 H ASP 44 8.338 10.517 3.185 314 HA ASP 44 HA ASP 44 11.267 10.795 3.231 315 1HB ASP 44 1HB ASP 44 9.911 12.226 4.665 316 2HB ASP 44 2HB ASP 44 9.178 10.821 5.453 317 H GLU 45 H GLU 45 8.817 8.543 4.546 318 HA GLU 45 HA GLU 45 10.836 6.695 5.546 319 1HB GLU 45 1HB GLU 45 7.832 6.394 5.408 320 2HB GLU 45 2HB GLU 45 8.966 5.414 6.349 321 1HG GLU 45 1HG GLU 45 9.571 7.336 7.734 322 2HG GLU 45 2HG GLU 45 8.528 8.408 6.798 323 H ILE 46 H ILE 46 11.515 6.803 3.036 324 HA ILE 46 HA ILE 46 11.076 4.074 2.085 325 HB ILE 46 HB ILE 46 10.844 4.853 -0.296 326 1HG1 ILE 46 1HG1 ILE 46 9.997 7.488 0.937 327 2HG1 ILE 46 2HG1 ILE 46 11.510 7.216 0.060 328 1HG2 ILE 46 1HG2 ILE 46 8.413 5.546 1.379 329 2HG2 ILE 46 2HG2 ILE 46 8.472 4.979 -0.303 330 3HG2 ILE 46 3HG2 ILE 46 8.945 3.898 0.995 331 1HD1 ILE 46 1HD1 ILE 46 8.702 7.103 -1.071 332 2HD1 ILE 46 2HD1 ILE 46 10.033 8.198 -1.499 333 3HD1 ILE 46 3HD1 ILE 46 10.127 6.483 -1.934 334 HA PRO 47 HA PRO 47 15.406 4.799 1.394 335 1HB PRO 47 1HB PRO 47 16.071 2.936 -0.515 336 2HB PRO 47 2HB PRO 47 15.766 2.587 1.205 337 1HG PRO 47 1HG PRO 47 13.890 2.249 -1.142 338 2HG PRO 47 2HG PRO 47 14.149 1.148 0.248 339 1HD PRO 47 1HD PRO 47 12.039 2.934 0.058 340 2HD PRO 47 2HD PRO 47 12.731 2.403 1.615 341 H ALA 48 H ALA 48 15.955 6.570 0.457 342 HA ALA 48 HA ALA 48 14.909 8.172 -1.378 343 1HB ALA 48 1HB ALA 48 17.130 9.191 -1.678 344 2HB ALA 48 2HB ALA 48 16.851 8.729 0.011 345 3HB ALA 48 3HB ALA 48 17.900 7.730 -1.022 346 H GLY 49 H GLY 49 17.061 5.497 -2.339 347 1HA GLY 49 1HA GLY 49 17.552 6.105 -5.006 348 2HA GLY 49 2HA GLY 49 17.365 4.464 -4.366 349 H VAL 50 H VAL 50 14.538 4.760 -3.582 350 HA VAL 50 HA VAL 50 13.322 4.592 -6.311 351 HB VAL 50 HB VAL 50 12.368 3.427 -3.672 352 1HG1 VAL 50 1HG1 VAL 50 10.555 3.956 -5.311 353 2HG1 VAL 50 2HG1 VAL 50 11.421 3.032 -6.552 354 3HG1 VAL 50 3HG1 VAL 50 10.782 2.208 -5.116 355 1HG2 VAL 50 1HG2 VAL 50 13.779 2.132 -6.050 356 2HG2 VAL 50 2HG2 VAL 50 14.404 2.270 -4.392 357 3HG2 VAL 50 3HG2 VAL 50 12.999 1.248 -4.725 358 H ASP 51 H ASP 51 12.585 6.638 -6.798 359 HA ASP 51 HA ASP 51 11.578 8.473 -4.867 360 1HB ASP 51 1HB ASP 51 12.361 9.165 -7.097 361 2HB ASP 51 2HB ASP 51 11.007 8.313 -7.859 362 H ALA 52 H ALA 52 9.584 8.737 -4.027 363 HA ALA 52 HA ALA 52 7.751 6.779 -3.604 364 1HB ALA 52 1HB ALA 52 7.066 9.737 -3.748 365 2HB ALA 52 2HB ALA 52 6.219 8.473 -2.822 366 3HB ALA 52 3HB ALA 52 7.869 8.944 -2.379 367 H VAL 53 H VAL 53 7.600 9.076 -6.338 368 HA VAL 53 HA VAL 53 4.988 8.436 -7.211 369 HB VAL 53 HB VAL 53 7.439 9.322 -8.793 370 1HG1 VAL 53 1HG1 VAL 53 5.800 8.455 -10.379 371 2HG1 VAL 53 2HG1 VAL 53 4.492 9.345 -9.567 372 3HG1 VAL 53 3HG1 VAL 53 5.774 10.217 -10.431 373 1HG2 VAL 53 1HG2 VAL 53 5.105 10.910 -7.620 374 2HG2 VAL 53 2HG2 VAL 53 6.754 10.910 -6.972 375 3HG2 VAL 53 3HG2 VAL 53 6.443 11.574 -8.577 376 H LYS 54 H LYS 54 7.993 6.598 -7.482 377 HA LYS 54 HA LYS 54 6.992 4.882 -9.621 378 1HB LYS 54 1HB LYS 54 9.338 4.436 -7.748 379 2HB LYS 54 2HB LYS 54 9.021 3.616 -9.277 380 1HG LYS 54 1HG LYS 54 9.704 6.571 -8.923 381 2HG LYS 54 2HG LYS 54 10.755 5.293 -9.534 382 1HD LYS 54 1HD LYS 54 9.169 4.955 -11.467 383 2HD LYS 54 2HD LYS 54 8.193 6.307 -10.865 384 1HE LYS 54 1HE LYS 54 9.621 7.102 -12.641 385 2HE LYS 54 2HE LYS 54 10.123 7.842 -11.113 386 1HZ LYS 54 1HZ LYS 54 11.402 5.518 -12.385 387 2HZ LYS 54 2HZ LYS 54 11.965 7.065 -12.435 388 3HZ LYS 54 3HZ LYS 54 11.905 6.260 -11.001 389 H ILE 55 H ILE 55 6.503 4.925 -6.162 390 HA ILE 55 HA ILE 55 5.432 2.136 -6.376 391 HB ILE 55 HB ILE 55 5.826 1.834 -4.029 392 1HG1 ILE 55 1HG1 ILE 55 6.080 4.423 -3.531 393 2HG1 ILE 55 2HG1 ILE 55 6.833 3.141 -2.562 394 1HG2 ILE 55 1HG2 ILE 55 8.326 2.492 -5.593 395 2HG2 ILE 55 2HG2 ILE 55 8.211 1.457 -4.145 396 3HG2 ILE 55 3HG2 ILE 55 7.412 0.968 -5.655 397 1HD1 ILE 55 1HD1 ILE 55 8.994 3.472 -3.603 398 2HD1 ILE 55 2HD1 ILE 55 8.304 4.748 -4.639 399 3HD1 ILE 55 3HD1 ILE 55 8.392 4.922 -2.859 400 H SER 56 H SER 56 4.634 5.415 -5.594 401 HA SER 56 HA SER 56 2.258 4.732 -4.051 402 1HB SER 56 1HB SER 56 3.216 7.357 -5.215 403 2HB SER 56 2HB SER 56 1.933 7.150 -4.024 404 HG SER 56 HG SER 56 4.706 6.618 -3.795 405 H MET 57 H MET 57 0.248 4.401 -4.782 406 HA MET 57 HA MET 57 -0.468 4.517 -7.549 407 1HB MET 57 1HB MET 57 -1.585 3.085 -5.862 408 2HB MET 57 2HB MET 57 -2.165 4.523 -5.012 409 1HG MET 57 1HG MET 57 -3.935 3.557 -6.357 410 2HG MET 57 2HG MET 57 -3.519 5.150 -6.996 411 1HE MET 57 1HE MET 57 -4.965 4.534 -9.111 412 2HE MET 57 2HE MET 57 -4.692 3.103 -10.130 413 3HE MET 57 3HE MET 57 -5.303 2.908 -8.470 414 HA PRO 58 HA PRO 58 -0.456 9.050 -7.569 415 1HB PRO 58 1HB PRO 58 -2.503 8.593 -9.762 416 2HB PRO 58 2HB PRO 58 -1.184 9.798 -9.712 417 1HG PRO 58 1HG PRO 58 -0.834 7.500 -11.090 418 2HG PRO 58 2HG PRO 58 0.470 8.065 -9.999 419 1HD PRO 58 1HD PRO 58 -1.609 5.931 -9.472 420 2HD PRO 58 2HD PRO 58 0.148 5.927 -9.127 421 H GLU 59 H GLU 59 -1.507 10.250 -6.060 422 HA GLU 59 HA GLU 59 -3.744 9.710 -4.620 423 1HB GLU 59 1HB GLU 59 -2.537 12.367 -5.496 424 2HB GLU 59 2HB GLU 59 -3.829 12.293 -4.306 425 1HG GLU 59 1HG GLU 59 -1.250 10.703 -3.913 426 2HG GLU 59 2HG GLU 59 -1.389 12.406 -3.460 427 H GLU 60 H GLU 60 -3.697 11.374 -7.713 428 HA GLU 60 HA GLU 60 -6.298 12.396 -7.849 429 1HB GLU 60 1HB GLU 60 -4.388 12.831 -9.415 430 2HB GLU 60 2HB GLU 60 -4.585 11.197 -10.077 431 1HG GLU 60 1HG GLU 60 -6.885 11.820 -10.837 432 2HG GLU 60 2HG GLU 60 -6.645 13.445 -10.175 433 H GLU 61 H GLU 61 -5.130 9.099 -8.379 434 HA GLU 61 HA GLU 61 -7.806 8.121 -9.188 435 1HB GLU 61 1HB GLU 61 -4.996 6.949 -9.318 436 2HB GLU 61 2HB GLU 61 -6.470 6.168 -9.907 437 1HG GLU 61 1HG GLU 61 -6.802 7.970 -11.563 438 2HG GLU 61 2HG GLU 61 -5.353 8.799 -10.976 439 H LEU 62 H LEU 62 -8.574 6.143 -8.204 440 HA LEU 62 HA LEU 62 -7.214 5.025 -5.936 441 1HB LEU 62 1HB LEU 62 -9.090 5.463 -4.314 442 2HB LEU 62 2HB LEU 62 -7.833 6.657 -4.591 443 HG LEU 62 HG LEU 62 -9.376 7.990 -6.025 444 1HD1 LEU 62 1HD1 LEU 62 -11.843 7.485 -5.751 445 2HD1 LEU 62 2HD1 LEU 62 -10.995 6.354 -6.805 446 3HD1 LEU 62 3HD1 LEU 62 -11.401 5.877 -5.137 447 1HD2 LEU 62 1HD2 LEU 62 -8.959 8.389 -3.659 448 2HD2 LEU 62 2HD2 LEU 62 -10.644 8.792 -4.063 449 3HD2 LEU 62 3HD2 LEU 62 -10.262 7.271 -3.212 450 H LEU 63 H LEU 63 -8.133 3.158 -5.153 451 HA LEU 63 HA LEU 63 -9.683 1.603 -7.063 452 1HB LEU 63 1HB LEU 63 -8.784 0.894 -4.246 453 2HB LEU 63 2HB LEU 63 -9.289 -0.207 -5.540 454 HG LEU 63 HG LEU 63 -6.743 1.467 -5.447 455 1HD1 LEU 63 1HD1 LEU 63 -6.824 -0.466 -3.923 456 2HD1 LEU 63 2HD1 LEU 63 -7.269 -1.533 -5.272 457 3HD1 LEU 63 3HD1 LEU 63 -5.675 -0.754 -5.236 458 1HD2 LEU 63 1HD2 LEU 63 -6.084 0.234 -7.493 459 2HD2 LEU 63 2HD2 LEU 63 -7.692 -0.503 -7.577 460 3HD2 LEU 63 3HD2 LEU 63 -7.497 1.251 -7.798 461 H ASN 64 H ASN 64 -11.633 2.475 -7.147 462 HA ASN 64 HA ASN 64 -13.127 3.423 -4.815 463 1HB ASN 64 1HB ASN 64 -14.747 4.203 -6.554 464 2HB ASN 64 2HB ASN 64 -13.124 4.883 -6.678 465 1HD2 ASN 64 1HD2 ASN 64 -12.362 3.329 -9.805 466 2HD2 ASN 64 2HD2 ASN 64 -11.632 4.075 -8.391 467 H ALA 65 H ALA 65 -13.424 0.801 -7.223 468 HA ALA 65 HA ALA 65 -15.955 -0.096 -5.969 469 1HB ALA 65 1HB ALA 65 -14.460 -0.943 -8.489 470 2HB ALA 65 2HB ALA 65 -16.001 -1.623 -7.973 471 3HB ALA 65 3HB ALA 65 -15.892 0.094 -8.394 472 HA PRO 66 HA PRO 66 -13.927 -3.387 -3.716 473 1HB PRO 66 1HB PRO 66 -15.662 -5.510 -3.959 474 2HB PRO 66 2HB PRO 66 -15.995 -4.091 -2.939 475 1HG PRO 66 1HG PRO 66 -16.948 -4.593 -5.768 476 2HG PRO 66 2HG PRO 66 -17.926 -4.081 -4.359 477 1HD PRO 66 1HD PRO 66 -17.046 -2.280 -6.153 478 2HD PRO 66 2HD PRO 66 -16.985 -1.883 -4.418 479 H GLY 67 H GLY 67 -12.789 -5.489 -4.087 480 1HA GLY 67 1HA GLY 67 -11.877 -7.149 -5.384 481 2HA GLY 67 2HA GLY 67 -12.938 -6.721 -6.726 482 H GLU 68 H GLU 68 -12.013 -3.881 -6.870 483 HA GLU 68 HA GLU 68 -9.999 -4.088 -8.753 484 1HB GLU 68 1HB GLU 68 -10.559 -1.763 -6.862 485 2HB GLU 68 2HB GLU 68 -9.523 -1.684 -8.302 486 1HG GLU 68 1HG GLU 68 -11.478 -2.442 -9.698 487 2HG GLU 68 2HG GLU 68 -12.506 -2.273 -8.268 488 H THR 69 H THR 69 -7.762 -3.988 -8.820 489 HA THR 69 HA THR 69 -6.330 -4.430 -6.258 490 HB THR 69 HB THR 69 -4.785 -5.761 -7.915 491 HG1 THR 69 HG1 THR 69 -7.249 -6.041 -9.269 492 1HG2 THR 69 1HG2 THR 69 -7.516 -6.842 -7.118 493 2HG2 THR 69 2HG2 THR 69 -6.111 -7.811 -7.616 494 3HG2 THR 69 3HG2 THR 69 -6.030 -6.842 -6.135 495 OH TYR 70 OH TYR 70 1.680 2.012 -7.145 496 H TYR 70 H TYR 70 -4.089 -3.860 -6.273 497 HA TYR 70 HA TYR 70 -3.065 -2.032 -8.362 498 1HB TYR 70 1HB TYR 70 -3.836 -0.553 -6.539 499 2HB TYR 70 2HB TYR 70 -3.012 -1.545 -5.346 500 HD1 TYR 70 HD1 TYR 70 -2.230 0.232 -8.588 501 HD2 TYR 70 HD2 TYR 70 -0.969 -0.632 -4.552 502 HE1 TYR 70 HE1 TYR 70 -0.163 1.547 -8.945 503 HE2 TYR 70 HE2 TYR 70 1.058 0.746 -4.897 504 HH TYR 70 HH TYR 70 2.224 2.088 -6.353 505 H VAL 71 H VAL 71 -0.709 -2.326 -8.539 506 HA VAL 71 HA VAL 71 0.422 -4.505 -6.884 507 HB VAL 71 HB VAL 71 0.628 -4.367 -9.923 508 1HG1 VAL 71 1HG1 VAL 71 1.601 -6.656 -9.651 509 2HG1 VAL 71 2HG1 VAL 71 2.592 -5.415 -8.882 510 3HG1 VAL 71 3HG1 VAL 71 1.544 -6.449 -7.889 511 1HG2 VAL 71 1HG2 VAL 71 -1.071 -6.199 -8.183 512 2HG2 VAL 71 2HG2 VAL 71 -1.655 -5.042 -9.400 513 3HG2 VAL 71 3HG2 VAL 71 -0.743 -6.464 -9.907 514 H VAL 72 H VAL 72 2.662 -4.299 -6.530 515 HA VAL 72 HA VAL 72 4.152 -2.242 -7.979 516 HB VAL 72 HB VAL 72 2.970 -0.941 -6.254 517 1HG1 VAL 72 1HG1 VAL 72 2.754 -2.736 -4.534 518 2HG1 VAL 72 2HG1 VAL 72 4.490 -2.574 -4.177 519 3HG1 VAL 72 3HG1 VAL 72 3.397 -1.208 -3.896 520 1HG2 VAL 72 1HG2 VAL 72 5.955 -1.189 -5.738 521 2HG2 VAL 72 2HG2 VAL 72 5.179 -0.209 -7.001 522 3HG2 VAL 72 3HG2 VAL 72 4.904 0.164 -5.285 523 H THR 73 H THR 73 6.329 -2.706 -8.023 524 HA THR 73 HA THR 73 7.184 -5.218 -6.669 525 HB THR 73 HB THR 73 8.335 -3.865 -9.127 526 HG1 THR 73 HG1 THR 73 6.166 -4.733 -9.325 527 1HG2 THR 73 1HG2 THR 73 9.420 -6.069 -9.456 528 2HG2 THR 73 2HG2 THR 73 9.947 -5.344 -7.927 529 3HG2 THR 73 3HG2 THR 73 8.734 -6.645 -7.926 530 H LEU 74 H LEU 74 8.338 -4.805 -4.817 531 HA LEU 74 HA LEU 74 9.839 -2.222 -4.640 532 1HB LEU 74 1HB LEU 74 9.321 -4.243 -2.451 533 2HB LEU 74 2HB LEU 74 10.057 -2.631 -2.355 534 HG LEU 74 HG LEU 74 7.155 -3.254 -2.983 535 1HD1 LEU 74 1HD1 LEU 74 6.767 -2.009 -0.901 536 2HD1 LEU 74 2HD1 LEU 74 7.920 -3.324 -0.580 537 3HD1 LEU 74 3HD1 LEU 74 8.498 -1.658 -0.745 538 1HD2 LEU 74 1HD2 LEU 74 7.809 -1.331 -4.377 539 2HD2 LEU 74 2HD2 LEU 74 6.849 -0.765 -3.007 540 3HD2 LEU 74 3HD2 LEU 74 8.616 -0.576 -2.986 541 H ASP 75 H ASP 75 11.489 -2.611 -6.032 542 HA ASP 75 HA ASP 75 13.251 -4.832 -6.045 543 1HB ASP 75 1HB ASP 75 13.159 -3.342 -7.917 544 2HB ASP 75 2HB ASP 75 13.554 -1.934 -6.923 545 H THR 76 H THR 76 14.089 -1.572 -4.818 546 HA THR 76 HA THR 76 16.507 -2.527 -3.683 547 HB THR 76 HB THR 76 15.143 0.140 -3.172 548 HG1 THR 76 HG1 THR 76 16.215 -0.943 -5.539 549 1HG2 THR 76 1HG2 THR 76 17.440 1.008 -3.298 550 2HG2 THR 76 2HG2 THR 76 17.287 -0.194 -2.007 551 3HG2 THR 76 3HG2 THR 76 18.071 -0.633 -3.546 552 H LYS 77 H LYS 77 17.119 -2.912 -1.602 553 HA LYS 77 HA LYS 77 15.221 -3.662 0.385 554 1HB LYS 77 1HB LYS 77 18.185 -2.947 0.576 555 2HB LYS 77 2HB LYS 77 17.257 -3.715 1.873 556 1HG LYS 77 1HG LYS 77 16.838 -5.671 0.527 557 2HG LYS 77 2HG LYS 77 17.634 -4.961 -0.886 558 1HD LYS 77 1HD LYS 77 19.757 -4.765 0.482 559 2HD LYS 77 2HD LYS 77 18.956 -5.667 1.777 560 1HE LYS 77 1HE LYS 77 19.465 -6.657 -1.075 561 2HE LYS 77 2HE LYS 77 20.378 -7.126 0.369 562 1HZ LYS 77 1HZ LYS 77 18.337 -8.047 1.254 563 2HZ LYS 77 2HZ LYS 77 17.539 -7.655 -0.146 564 3HZ LYS 77 3HZ LYS 77 18.764 -8.754 -0.171 565 H GLY 78 H GLY 78 14.799 -2.709 2.448 566 1HA GLY 78 1HA GLY 78 15.589 -0.554 3.737 567 2HA GLY 78 2HA GLY 78 14.794 0.274 2.387 568 H THR 79 H THR 79 13.556 1.123 4.262 569 HA THR 79 HA THR 79 11.274 -0.635 5.058 570 HB THR 79 HB THR 79 12.302 1.912 6.382 571 HG1 THR 79 HG1 THR 79 12.790 -0.819 6.981 572 1HG2 THR 79 1HG2 THR 79 9.934 1.386 6.860 573 2HG2 THR 79 2HG2 THR 79 10.382 -0.274 7.320 574 3HG2 THR 79 3HG2 THR 79 10.952 1.108 8.285 575 OH TYR 80 OH TYR 80 12.446 0.030 -2.405 576 H TYR 80 H TYR 80 9.452 -0.162 3.940 577 HA TYR 80 HA TYR 80 9.145 2.552 2.722 578 1HB TYR 80 1HB TYR 80 8.271 -0.195 1.809 579 2HB TYR 80 2HB TYR 80 7.691 1.306 1.114 580 HD1 TYR 80 HD2 TYR 80 10.923 -0.485 1.833 581 HD2 TYR 80 HD1 TYR 80 8.676 2.024 -0.867 582 HE1 TYR 80 HE2 TYR 80 12.617 -0.838 0.098 583 HE2 TYR 80 HE1 TYR 80 10.362 1.606 -2.633 584 HH TYR 80 HH TYR 80 13.068 -0.656 -2.134 585 H SER 81 H SER 81 7.784 3.648 4.094 586 HA SER 81 HA SER 81 5.499 2.153 5.256 587 1HB SER 81 1HB SER 81 7.062 4.083 6.410 588 2HB SER 81 2HB SER 81 5.617 4.998 5.927 589 HG SER 81 HG SER 81 4.492 3.020 6.930 590 H PHE 82 H PHE 82 3.366 2.486 4.749 591 HA PHE 82 HA PHE 82 2.779 4.468 2.647 592 1HB PHE 82 1HB PHE 82 1.554 2.758 1.327 593 2HB PHE 82 2HB PHE 82 3.243 2.463 1.397 594 HD1 PHE 82 HD2 PHE 82 -0.046 1.450 2.798 595 HD2 PHE 82 HD1 PHE 82 4.129 0.327 2.479 596 HE1 PHE 82 HE2 PHE 82 -0.486 -0.642 4.019 597 HE2 PHE 82 HE1 PHE 82 3.639 -1.743 3.693 598 HZ PHE 82 HZ PHE 82 1.339 -2.257 4.446 599 OH TYR 83 OH TYR 83 0.737 10.517 1.313 600 H TYR 83 H TYR 83 0.485 4.599 2.160 601 HA TYR 83 HA TYR 83 -1.339 3.952 4.340 602 1HB TYR 83 1HB TYR 83 -1.870 6.281 4.887 603 2HB TYR 83 2HB TYR 83 -0.185 5.923 5.253 604 HD1 TYR 83 HD1 TYR 83 1.649 6.782 3.741 605 HD2 TYR 83 HD2 TYR 83 -2.466 7.988 3.309 606 HE1 TYR 83 HE1 TYR 83 2.358 8.689 2.340 607 HE2 TYR 83 HE2 TYR 83 -1.741 9.933 1.936 608 HH TYR 83 HH TYR 83 1.680 10.537 1.132 609 H CYS 84 H CYS 84 -3.495 4.638 4.016 610 HA CYS 84 HA CYS 84 -4.287 4.820 1.127 611 1HB CYS 84 1HB CYS 84 -5.280 2.913 2.284 612 2HB CYS 84 2HB CYS 84 -5.668 3.934 3.679 613 H SER 85 H SER 85 -4.357 6.973 0.603 614 HA SER 85 HA SER 85 -4.372 8.956 2.480 615 1HB SER 85 1HB SER 85 -4.923 10.604 0.756 616 2HB SER 85 2HB SER 85 -3.598 9.499 0.372 617 HG SER 85 HG SER 85 -5.007 9.836 -1.364 618 HA PRO 86 HA PRO 86 -9.030 9.936 2.351 619 1HB PRO 86 1HB PRO 86 -10.822 7.926 1.720 620 2HB PRO 86 2HB PRO 86 -10.183 9.123 0.563 621 1HG PRO 86 1HG PRO 86 -9.146 6.329 1.076 622 2HG PRO 86 2HG PRO 86 -9.538 7.074 -0.503 623 1HD PRO 86 1HD PRO 86 -6.997 7.049 0.321 624 2HD PRO 86 2HD PRO 86 -7.673 8.546 -0.368 625 H HIS 87 H HIS 87 -7.393 7.191 3.700 626 HA HIS 87 HA HIS 87 -9.137 7.403 6.114 627 1HB HIS 87 1HB HIS 87 -8.053 4.859 4.911 628 2HB HIS 87 2HB HIS 87 -8.961 4.977 6.416 629 HD2 HIS 87 HD2 HIS 87 -11.494 6.549 5.786 630 HE1 HIS 87 HE1 HIS 87 -12.144 3.971 2.477 631 HE2 HIS 87 HE2 HIS 87 -13.229 5.624 4.061 632 H GLN 88 H GLN 88 -6.350 8.446 5.128 633 HA GLN 88 HA GLN 88 -4.372 7.169 6.713 634 1HB GLN 88 1HB GLN 88 -3.889 8.863 4.977 635 2HB GLN 88 2HB GLN 88 -4.670 10.108 5.948 636 1HG GLN 88 1HG GLN 88 -2.936 9.565 7.789 637 2HG GLN 88 2HG GLN 88 -2.091 8.606 6.570 638 1HE2 GLN 88 1HE2 GLN 88 -0.846 11.530 4.902 639 2HE2 GLN 88 2HE2 GLN 88 -1.038 9.790 4.795 640 H GLY 89 H GLY 89 -6.567 9.899 7.432 641 1HA GLY 89 1HA GLY 89 -5.861 10.418 10.100 642 2HA GLY 89 2HA GLY 89 -7.458 10.703 9.383 643 H ALA 90 H ALA 90 -7.918 7.835 8.752 644 HA ALA 90 HA ALA 90 -8.932 7.011 11.374 645 1HB ALA 90 1HB ALA 90 -10.314 6.850 9.320 646 2HB ALA 90 2HB ALA 90 -9.163 5.665 8.660 647 3HB ALA 90 3HB ALA 90 -10.090 5.284 10.122 648 H GLY 91 H GLY 91 -5.885 6.771 10.091 649 1HA GLY 91 1HA GLY 91 -4.127 5.579 10.900 650 2HA GLY 91 2HA GLY 91 -5.207 4.505 11.795 651 H MET 92 H MET 92 -5.968 4.902 8.353 652 HA MET 92 HA MET 92 -5.215 2.102 7.982 653 1HB MET 92 1HB MET 92 -7.293 3.083 7.033 654 2HB MET 92 2HB MET 92 -6.292 4.006 5.896 655 1HG MET 92 1HG MET 92 -5.417 1.960 4.927 656 2HG MET 92 2HG MET 92 -6.057 0.994 6.252 657 1HE MET 92 1HE MET 92 -6.202 0.016 3.339 658 2HE MET 92 2HE MET 92 -6.736 -0.808 4.816 659 3HE MET 92 3HE MET 92 -7.827 -0.703 3.428 660 H VAL 93 H VAL 93 -3.009 2.404 8.502 661 HA VAL 93 HA VAL 93 -1.303 3.232 6.218 662 HB VAL 93 HB VAL 93 0.328 4.149 7.684 663 1HG1 VAL 93 1HG1 VAL 93 -0.776 6.096 8.543 664 2HG1 VAL 93 2HG1 VAL 93 -1.646 5.615 7.076 665 3HG1 VAL 93 3HG1 VAL 93 -2.334 5.261 8.668 666 1HG2 VAL 93 1HG2 VAL 93 0.003 4.319 10.124 667 2HG2 VAL 93 2HG2 VAL 93 -1.469 3.335 10.004 668 3HG2 VAL 93 3HG2 VAL 93 0.115 2.632 9.607 669 H GLY 94 H GLY 94 1.014 2.284 6.524 670 1HA GLY 94 1HA GLY 94 1.238 -0.168 7.989 671 2HA GLY 94 2HA GLY 94 0.946 -0.481 6.275 672 H LYS 95 H LYS 95 3.216 -1.418 7.142 673 HA LYS 95 HA LYS 95 5.337 0.304 6.077 674 1HB LYS 95 1HB LYS 95 5.175 0.869 8.481 675 2HB LYS 95 2HB LYS 95 5.455 -0.832 8.886 676 1HG LYS 95 1HG LYS 95 7.670 -0.703 7.716 677 2HG LYS 95 2HG LYS 95 7.377 1.011 7.383 678 1HD LYS 95 1HD LYS 95 7.533 -0.290 10.152 679 2HD LYS 95 2HD LYS 95 8.853 0.575 9.373 680 1HE LYS 95 1HE LYS 95 6.213 1.782 10.313 681 2HE LYS 95 2HE LYS 95 7.823 2.022 10.999 682 1HZ LYS 95 1HZ LYS 95 8.456 3.000 8.853 683 2HZ LYS 95 2HZ LYS 95 6.868 2.929 8.382 684 3HZ LYS 95 3HZ LYS 95 7.304 3.851 9.667 685 H VAL 96 H VAL 96 6.151 -0.926 4.527 686 HA VAL 96 HA VAL 96 6.427 -3.841 5.082 687 HB VAL 96 HB VAL 96 4.976 -3.487 3.321 688 1HG1 VAL 96 1HG1 VAL 96 5.792 -1.231 2.466 689 2HG1 VAL 96 2HG1 VAL 96 7.162 -2.087 1.731 690 3HG1 VAL 96 3HG1 VAL 96 5.506 -2.432 1.204 691 1HG2 VAL 96 1HG2 VAL 96 6.582 -5.358 3.260 692 2HG2 VAL 96 2HG2 VAL 96 5.960 -4.852 1.677 693 3HG2 VAL 96 3HG2 VAL 96 7.605 -4.385 2.163 694 H THR 97 H THR 97 8.323 -4.681 5.268 695 HA THR 97 HA THR 97 10.737 -2.971 4.980 696 HB THR 97 HB THR 97 10.600 -5.619 6.414 697 HG1 THR 97 HG1 THR 97 8.910 -4.441 7.253 698 1HG2 THR 97 1HG2 THR 97 12.341 -4.589 7.795 699 2HG2 THR 97 2HG2 THR 97 12.817 -4.561 6.086 700 3HG2 THR 97 3HG2 THR 97 12.217 -3.081 6.868 701 H VAL 98 H VAL 98 11.773 -3.207 3.017 702 HA VAL 98 HA VAL 98 11.570 -5.736 1.564 703 HB VAL 98 HB VAL 98 13.024 -3.179 0.849 704 1HG1 VAL 98 1HG1 VAL 98 12.885 -4.176 -1.443 705 2HG1 VAL 98 2HG1 VAL 98 13.783 -5.256 -0.362 706 3HG1 VAL 98 3HG1 VAL 98 12.094 -5.609 -0.772 707 1HG2 VAL 98 1HG2 VAL 98 10.260 -4.188 0.040 708 2HG2 VAL 98 2HG2 VAL 98 10.558 -2.821 1.133 709 3HG2 VAL 98 3HG2 VAL 98 11.096 -2.733 -0.540 710 H ASN 99 H ASN 99 12.688 -7.242 2.541 711 HA ASN 99 HA ASN 99 15.203 -6.846 3.984 712 1HB ASN 99 1HB ASN 99 13.470 -9.267 3.305 713 2HB ASN 99 2HB ASN 99 15.013 -9.386 4.144 714 1HD2 ASN 99 1HD2 ASN 99 11.909 -7.632 6.263 715 2HD2 ASN 99 2HD2 ASN 99 11.968 -7.313 4.541 Start of MODEL 2 Raw file had 715 H/Q atoms Start of MODEL 2 1 H LEU 1 H LEU 1 3.711 -10.191 -2.865 2 HA LEU 1 HA LEU 1 2.710 -11.795 -0.638 3 1HB LEU 1 1HB LEU 1 3.797 -9.000 -0.271 4 2HB LEU 1 2HB LEU 1 2.370 -9.451 0.648 5 HG LEU 1 HG LEU 1 4.457 -9.706 1.891 6 1HD1 LEU 1 1HD1 LEU 1 3.933 -11.802 2.952 7 2HD1 LEU 1 2HD1 LEU 1 2.434 -10.963 2.519 8 3HD1 LEU 1 3HD1 LEU 1 2.992 -12.346 1.550 9 1HD2 LEU 1 1HD2 LEU 1 5.881 -10.496 0.026 10 2HD2 LEU 1 2HD2 LEU 1 6.029 -11.454 1.513 11 3HD2 LEU 1 3HD2 LEU 1 5.101 -12.090 0.132 12 H GLU 2 H GLU 2 0.573 -11.371 -0.061 13 HA GLU 2 HA GLU 2 -1.060 -9.807 -2.006 14 1HB GLU 2 1HB GLU 2 -1.439 -12.209 -2.213 15 2HB GLU 2 2HB GLU 2 -1.615 -12.380 -0.459 16 1HG GLU 2 1HG GLU 2 -3.789 -12.434 -1.634 17 2HG GLU 2 2HG GLU 2 -3.691 -11.117 -0.466 18 H VAL 3 H VAL 3 -1.820 -7.991 -1.026 19 HA VAL 3 HA VAL 3 -2.179 -7.983 1.941 20 HB VAL 3 HB VAL 3 -1.444 -5.678 0.108 21 1HG1 VAL 3 1HG1 VAL 3 -1.000 -4.503 2.273 22 2HG1 VAL 3 2HG1 VAL 3 -2.700 -4.960 2.106 23 3HG1 VAL 3 3HG1 VAL 3 -1.621 -5.910 3.149 24 1HG2 VAL 3 1HG2 VAL 3 0.337 -7.224 2.034 25 2HG2 VAL 3 2HG2 VAL 3 0.472 -7.204 0.262 26 3HG2 VAL 3 3HG2 VAL 3 0.766 -5.727 1.181 27 H LEU 4 H LEU 4 -4.189 -7.537 2.636 28 HA LEU 4 HA LEU 4 -6.285 -6.892 0.629 29 1HB LEU 4 1HB LEU 4 -6.465 -7.699 3.545 30 2HB LEU 4 2HB LEU 4 -7.818 -7.489 2.449 31 HG LEU 4 HG LEU 4 -5.640 -9.618 2.289 32 1HD1 LEU 4 1HD1 LEU 4 -7.388 -9.949 4.014 33 2HD1 LEU 4 2HD1 LEU 4 -8.648 -9.783 2.769 34 3HD1 LEU 4 3HD1 LEU 4 -7.516 -11.153 2.717 35 1HD2 LEU 4 1HD2 LEU 4 -6.206 -9.054 -0.010 36 2HD2 LEU 4 2HD2 LEU 4 -7.029 -10.559 0.407 37 3HD2 LEU 4 3HD2 LEU 4 -7.944 -9.035 0.377 38 H LEU 5 H LEU 5 -7.014 -4.888 0.422 39 HA LEU 5 HA LEU 5 -6.283 -2.769 2.365 40 1HB LEU 5 1HB LEU 5 -7.800 -2.637 -0.253 41 2HB LEU 5 2HB LEU 5 -7.248 -1.265 0.700 42 HG LEU 5 HG LEU 5 -5.438 -3.316 -0.674 43 1HD1 LEU 5 1HD1 LEU 5 -4.979 -1.426 -2.234 44 2HD1 LEU 5 2HD1 LEU 5 -6.675 -1.930 -2.262 45 3HD1 LEU 5 3HD1 LEU 5 -6.196 -0.451 -1.394 46 1HD2 LEU 5 1HD2 LEU 5 -4.868 -0.734 0.856 47 2HD2 LEU 5 2HD2 LEU 5 -4.341 -2.386 1.274 48 3HD2 LEU 5 3HD2 LEU 5 -3.681 -1.581 -0.152 49 H GLY 6 H GLY 6 -7.568 -3.124 4.180 50 1HA GLY 6 1HA GLY 6 -9.617 -2.372 5.149 51 2HA GLY 6 2HA GLY 6 -10.519 -3.071 3.799 52 H SER 7 H SER 7 -11.728 -4.287 5.455 53 HA SER 7 HA SER 7 -10.555 -6.915 5.903 54 1HB SER 7 1HB SER 7 -11.122 -6.731 8.396 55 2HB SER 7 2HB SER 7 -9.726 -5.765 7.895 56 HG SER 7 HG SER 7 -11.075 -3.932 7.799 57 H GLY 8 H GLY 8 -12.241 -8.416 6.580 58 1HA GLY 8 1HA GLY 8 -14.614 -8.271 5.164 59 2HA GLY 8 2HA GLY 8 -14.370 -9.280 6.598 60 H ASP 9 H ASP 9 -14.027 -7.229 8.534 61 HA ASP 9 HA ASP 9 -16.805 -6.493 9.021 62 1HB ASP 9 1HB ASP 9 -15.990 -5.790 11.196 63 2HB ASP 9 2HB ASP 9 -15.351 -7.388 10.798 64 H GLY 10 H GLY 10 -14.844 -5.061 6.901 65 1HA GLY 10 1HA GLY 10 -14.899 -3.049 5.898 66 2HA GLY 10 2HA GLY 10 -16.206 -2.559 6.981 67 H SER 11 H SER 11 -13.261 -3.553 8.644 68 HA SER 11 HA SER 11 -12.947 -0.794 9.530 69 1HB SER 11 1HB SER 11 -12.692 -2.498 11.150 70 2HB SER 11 2HB SER 11 -11.346 -3.265 10.268 71 HG SER 11 HG SER 11 -10.667 -1.820 11.948 72 H LEU 12 H LEU 12 -11.461 0.639 8.918 73 HA LEU 12 HA LEU 12 -10.128 0.345 6.396 74 1HB LEU 12 1HB LEU 12 -10.014 2.549 8.525 75 2HB LEU 12 2HB LEU 12 -9.545 2.690 6.831 76 HG LEU 12 HG LEU 12 -11.561 3.748 7.059 77 1HD1 LEU 12 1HD1 LEU 12 -12.367 1.039 5.925 78 2HD1 LEU 12 2HD1 LEU 12 -13.043 2.623 5.506 79 3HD1 LEU 12 3HD1 LEU 12 -11.364 2.233 5.077 80 1HD2 LEU 12 1HD2 LEU 12 -13.123 1.470 8.232 81 2HD2 LEU 12 2HD2 LEU 12 -12.373 2.772 9.200 82 3HD2 LEU 12 3HD2 LEU 12 -13.583 3.146 7.957 83 H VAL 13 H VAL 13 -8.886 -1.575 7.250 84 HA VAL 13 HA VAL 13 -6.210 -0.611 8.212 85 HB VAL 13 HB VAL 13 -5.957 -2.753 9.418 86 1HG1 VAL 13 1HG1 VAL 13 -6.590 -0.681 10.608 87 2HG1 VAL 13 2HG1 VAL 13 -8.308 -1.070 10.385 88 3HG1 VAL 13 3HG1 VAL 13 -7.280 -2.122 11.375 89 1HG2 VAL 13 1HG2 VAL 13 -7.736 -4.071 8.222 90 2HG2 VAL 13 2HG2 VAL 13 -7.861 -4.140 9.986 91 3HG2 VAL 13 3HG2 VAL 13 -8.965 -3.108 9.066 92 H PHE 14 H PHE 14 -4.415 -1.746 7.448 93 HA PHE 14 HA PHE 14 -4.785 -3.104 4.818 94 1HB PHE 14 1HB PHE 14 -2.413 -1.940 6.342 95 2HB PHE 14 2HB PHE 14 -2.205 -3.026 4.986 96 HD1 PHE 14 HD1 PHE 14 -3.225 0.374 5.999 97 HD2 PHE 14 HD2 PHE 14 -2.417 -2.298 2.709 98 HE1 PHE 14 HE1 PHE 14 -2.895 2.301 4.476 99 HE2 PHE 14 HE2 PHE 14 -1.987 -0.381 1.264 100 HZ PHE 14 HZ PHE 14 -2.380 1.939 2.079 101 H VAL 15 H VAL 15 -4.577 -5.388 4.777 102 HA VAL 15 HA VAL 15 -3.479 -6.678 7.261 103 HB VAL 15 HB VAL 15 -5.803 -7.648 5.604 104 1HG1 VAL 15 1HG1 VAL 15 -4.479 -9.492 6.577 105 2HG1 VAL 15 2HG1 VAL 15 -4.538 -8.704 8.170 106 3HG1 VAL 15 3HG1 VAL 15 -6.025 -9.314 7.415 107 1HG2 VAL 15 1HG2 VAL 15 -5.701 -6.375 8.368 108 2HG2 VAL 15 2HG2 VAL 15 -6.486 -5.708 6.919 109 3HG2 VAL 15 3HG2 VAL 15 -7.119 -7.178 7.661 110 HA PRO 16 HA PRO 16 -1.650 -7.690 7.789 111 1HB PRO 16 1HB PRO 16 1.030 -7.725 7.434 112 2HB PRO 16 2HB PRO 16 0.033 -9.207 7.370 113 1HG PRO 16 1HG PRO 16 0.972 -7.528 5.019 114 2HG PRO 16 2HG PRO 16 1.158 -9.294 5.236 115 1HD PRO 16 1HD PRO 16 -0.886 -8.242 3.797 116 2HD PRO 16 2HD PRO 16 -1.174 -9.646 4.851 117 H SER 17 H SER 17 -0.899 -5.818 8.917 118 HA SER 17 HA SER 17 -0.972 -3.332 7.441 119 1HB SER 17 1HB SER 17 -0.176 -3.593 10.352 120 2HB SER 17 2HB SER 17 -1.109 -2.324 9.539 121 HG SER 17 HG SER 17 -2.682 -4.135 9.147 122 H GLU 18 H GLU 18 1.470 -5.151 9.304 123 HA GLU 18 HA GLU 18 3.657 -3.663 7.945 124 1HB GLU 18 1HB GLU 18 3.483 -4.549 10.850 125 2HB GLU 18 2HB GLU 18 4.957 -3.985 10.034 126 1HG GLU 18 1HG GLU 18 3.805 -1.869 9.428 127 2HG GLU 18 2HG GLU 18 2.383 -2.368 10.355 128 H PHE 19 H PHE 19 5.130 -4.969 6.983 129 HA PHE 19 HA PHE 19 5.428 -7.765 7.759 130 1HB PHE 19 1HB PHE 19 4.642 -8.759 5.695 131 2HB PHE 19 2HB PHE 19 3.343 -7.857 6.428 132 HD1 PHE 19 HD1 PHE 19 2.721 -5.542 5.489 133 HD2 PHE 19 HD2 PHE 19 5.348 -8.300 3.442 134 HE1 PHE 19 HE1 PHE 19 2.206 -4.451 3.339 135 HE2 PHE 19 HE2 PHE 19 4.869 -7.152 1.304 136 HZ PHE 19 HZ PHE 19 3.288 -5.233 1.245 137 H SER 20 H SER 20 6.751 -8.867 5.770 138 HA SER 20 HA SER 20 8.850 -7.003 4.879 139 1HB SER 20 1HB SER 20 9.319 -9.730 6.172 140 2HB SER 20 2HB SER 20 10.557 -8.568 5.647 141 HG SER 20 HG SER 20 10.137 -8.458 7.914 142 H VAL 21 H VAL 21 9.897 -7.744 2.881 143 HA VAL 21 HA VAL 21 8.697 -10.097 1.576 144 HB VAL 21 HB VAL 21 7.198 -8.313 1.025 145 1HG1 VAL 21 1HG1 VAL 21 8.740 -6.355 1.437 146 2HG1 VAL 21 2HG1 VAL 21 9.538 -6.718 -0.105 147 3HG1 VAL 21 3HG1 VAL 21 7.833 -6.256 -0.079 148 1HG2 VAL 21 1HG2 VAL 21 9.034 -8.681 -1.360 149 2HG2 VAL 21 2HG2 VAL 21 7.890 -9.916 -0.793 150 3HG2 VAL 21 3HG2 VAL 21 7.292 -8.352 -1.382 151 HA PRO 22 HA PRO 22 13.002 -10.225 0.348 152 1HB PRO 22 1HB PRO 22 12.211 -11.906 -1.978 153 2HB PRO 22 2HB PRO 22 13.381 -12.268 -0.689 154 1HG PRO 22 1HG PRO 22 10.937 -13.488 -0.763 155 2HG PRO 22 2HG PRO 22 11.652 -12.953 0.788 156 1HD PRO 22 1HD PRO 22 9.600 -11.498 -0.901 157 2HD PRO 22 2HD PRO 22 9.581 -11.870 0.848 158 H SER 23 H SER 23 14.258 -8.987 -1.048 159 HA SER 23 HA SER 23 13.187 -6.899 -2.546 160 1HB SER 23 1HB SER 23 15.890 -8.260 -2.863 161 2HB SER 23 2HB SER 23 15.474 -6.649 -3.454 162 HG SER 23 HG SER 23 15.457 -7.495 -0.730 163 H GLY 24 H GLY 24 12.156 -6.810 -4.460 164 1HA GLY 24 1HA GLY 24 12.114 -7.156 -6.802 165 2HA GLY 24 2HA GLY 24 12.894 -8.727 -6.638 166 H GLU 25 H GLU 25 10.793 -9.188 -4.214 167 HA GLU 25 HA GLU 25 8.895 -10.513 -5.982 168 1HB GLU 25 1HB GLU 25 9.339 -10.357 -3.024 169 2HB GLU 25 2HB GLU 25 7.739 -10.814 -3.592 170 1HG GLU 25 1HG GLU 25 9.357 -12.747 -3.187 171 2HG GLU 25 2HG GLU 25 8.511 -12.722 -4.736 172 H LYS 26 H LYS 26 6.792 -10.102 -6.351 173 HA LYS 26 HA LYS 26 6.043 -7.314 -6.364 174 1HB LYS 26 1HB LYS 26 4.111 -8.156 -7.648 175 2HB LYS 26 2HB LYS 26 5.678 -8.529 -8.362 176 1HG LYS 26 1HG LYS 26 5.552 -10.841 -7.694 177 2HG LYS 26 2HG LYS 26 4.108 -10.570 -6.708 178 1HD LYS 26 1HD LYS 26 4.206 -10.054 -9.716 179 2HD LYS 26 2HD LYS 26 3.825 -11.642 -9.031 180 1HE LYS 26 1HE LYS 26 1.896 -10.713 -7.817 181 2HE LYS 26 2HE LYS 26 2.238 -9.101 -8.469 182 1HZ LYS 26 1HZ LYS 26 0.566 -10.223 -9.722 183 2HZ LYS 26 2HZ LYS 26 1.899 -9.973 -10.658 184 3HZ LYS 26 3HZ LYS 26 1.583 -11.475 -10.058 185 H ILE 27 H ILE 27 4.295 -6.368 -5.392 186 HA ILE 27 HA ILE 27 2.997 -7.840 -3.148 187 HB ILE 27 HB ILE 27 3.347 -4.860 -3.429 188 1HG1 ILE 27 1HG1 ILE 27 5.024 -6.757 -1.716 189 2HG1 ILE 27 2HG1 ILE 27 5.593 -5.987 -3.205 190 1HG2 ILE 27 1HG2 ILE 27 2.604 -6.603 -1.043 191 2HG2 ILE 27 2HG2 ILE 27 2.667 -4.830 -1.068 192 3HG2 ILE 27 3HG2 ILE 27 1.453 -5.668 -2.017 193 1HD1 ILE 27 1HD1 ILE 27 6.432 -4.724 -1.381 194 2HD1 ILE 27 2HD1 ILE 27 5.210 -3.744 -2.212 195 3HD1 ILE 27 3HD1 ILE 27 4.826 -4.527 -0.663 196 H VAL 28 H VAL 28 0.829 -8.027 -3.351 197 HA VAL 28 HA VAL 28 -0.612 -6.589 -5.556 198 HB VAL 28 HB VAL 28 -1.117 -9.332 -4.328 199 1HG1 VAL 28 1HG1 VAL 28 -2.470 -7.876 -6.637 200 2HG1 VAL 28 2HG1 VAL 28 -2.768 -9.561 -6.171 201 3HG1 VAL 28 3HG1 VAL 28 -3.215 -8.252 -5.069 202 1HG2 VAL 28 1HG2 VAL 28 0.881 -9.374 -5.758 203 2HG2 VAL 28 2HG2 VAL 28 -0.469 -10.196 -6.549 204 3HG2 VAL 28 3HG2 VAL 28 -0.015 -8.556 -7.058 205 H PHE 29 H PHE 29 -1.497 -4.842 -4.495 206 HA PHE 29 HA PHE 29 -2.727 -5.201 -1.815 207 1HB PHE 29 1HB PHE 29 -2.361 -2.793 -3.591 208 2HB PHE 29 2HB PHE 29 -3.168 -2.783 -2.037 209 HD1 PHE 29 HD1 PHE 29 -1.896 -3.245 0.073 210 HD2 PHE 29 HD2 PHE 29 0.025 -2.688 -3.744 211 HE1 PHE 29 HE1 PHE 29 0.219 -2.620 1.231 212 HE2 PHE 29 HE2 PHE 29 2.149 -2.116 -2.563 213 HZ PHE 29 HZ PHE 29 2.246 -2.083 -0.103 214 H LYS 30 H LYS 30 -4.621 -6.410 -2.115 215 HA LYS 30 HA LYS 30 -6.426 -5.760 -4.358 216 1HB LYS 30 1HB LYS 30 -5.811 -8.091 -3.793 217 2HB LYS 30 2HB LYS 30 -6.652 -7.907 -2.242 218 1HG LYS 30 1HG LYS 30 -8.794 -7.521 -3.434 219 2HG LYS 30 2HG LYS 30 -7.934 -7.465 -4.972 220 1HD LYS 30 1HD LYS 30 -9.039 -9.604 -4.752 221 2HD LYS 30 2HD LYS 30 -7.287 -9.819 -4.774 222 1HE LYS 30 1HE LYS 30 -8.368 -11.273 -3.099 223 2HE LYS 30 2HE LYS 30 -7.258 -10.137 -2.326 224 1HZ LYS 30 1HZ LYS 30 -10.178 -9.819 -2.515 225 2HZ LYS 30 2HZ LYS 30 -9.350 -10.316 -1.181 226 3HZ LYS 30 3HZ LYS 30 -9.144 -8.785 -1.751 227 H ASN 31 H ASN 31 -8.287 -4.627 -4.214 228 HA ASN 31 HA ASN 31 -9.039 -3.257 -1.814 229 1HB ASN 31 1HB ASN 31 -9.603 -2.411 -4.063 230 2HB ASN 31 2HB ASN 31 -10.676 -3.784 -4.330 231 1HD2 ASN 31 1HD2 ASN 31 -12.925 -1.101 -3.248 232 2HD2 ASN 31 2HD2 ASN 31 -12.071 -1.672 -4.667 233 H ASN 32 H ASN 32 -9.816 -4.351 0.002 234 HA ASN 32 HA ASN 32 -11.300 -6.878 -0.362 235 1HB ASN 32 1HB ASN 32 -9.573 -6.785 1.301 236 2HB ASN 32 2HB ASN 32 -10.324 -5.429 2.124 237 1HD2 ASN 32 1HD2 ASN 32 -11.950 -9.170 2.603 238 2HD2 ASN 32 2HD2 ASN 32 -10.841 -8.874 1.279 239 H ALA 33 H ALA 33 -11.851 -4.104 1.772 240 HA ALA 33 HA ALA 33 -14.554 -3.559 0.859 241 1HB ALA 33 1HB ALA 33 -14.138 -4.954 3.542 242 2HB ALA 33 2HB ALA 33 -15.666 -4.253 2.971 243 3HB ALA 33 3HB ALA 33 -14.964 -5.654 2.140 244 H GLY 34 H GLY 34 -15.534 -1.930 2.664 245 1HA GLY 34 1HA GLY 34 -15.255 0.054 3.800 246 2HA GLY 34 2HA GLY 34 -13.703 -0.559 4.392 247 H PHE 35 H PHE 35 -14.317 -0.376 0.959 248 HA PHE 35 HA PHE 35 -12.131 1.475 0.425 249 1HB PHE 35 1HB PHE 35 -12.616 0.816 -1.910 250 2HB PHE 35 2HB PHE 35 -12.434 -0.449 -0.764 251 HD1 PHE 35 HD2 PHE 35 -15.142 1.588 -2.347 252 HD2 PHE 35 HD1 PHE 35 -13.797 -2.267 -1.008 253 HE1 PHE 35 HE2 PHE 35 -17.339 0.595 -2.991 254 HE2 PHE 35 HE1 PHE 35 -16.053 -3.228 -1.474 255 HZ PHE 35 HZ PHE 35 -17.783 -1.819 -2.556 256 HA PRO 36 HA PRO 36 -12.400 2.779 -2.065 257 1HB PRO 36 1HB PRO 36 -11.599 5.276 -2.564 258 2HB PRO 36 2HB PRO 36 -13.169 4.649 -3.105 259 1HG PRO 36 1HG PRO 36 -12.630 6.258 -0.586 260 2HG PRO 36 2HG PRO 36 -13.858 6.592 -1.848 261 1HD PRO 36 1HD PRO 36 -14.501 5.210 0.407 262 2HD PRO 36 2HD PRO 36 -15.176 4.717 -1.171 263 H HIS 37 H HIS 37 -10.155 2.909 -2.366 264 HA HIS 37 HA HIS 37 -8.495 3.820 -0.160 265 1HB HIS 37 1HB HIS 37 -8.406 0.945 -1.182 266 2HB HIS 37 2HB HIS 37 -7.381 1.606 0.082 267 HD2 HIS 37 HD2 HIS 37 -10.073 -0.703 -0.292 268 HE1 HIS 37 HE1 HIS 37 -10.454 0.650 3.702 269 HE2 HIS 37 HE2 HIS 37 -10.992 -1.226 2.074 270 H ASN 38 H ASN 38 -6.148 3.283 -0.708 271 HA ASN 38 HA ASN 38 -5.290 2.719 -3.293 272 1HB ASN 38 1HB ASN 38 -4.533 4.829 -4.115 273 2HB ASN 38 2HB ASN 38 -6.227 4.951 -3.818 274 1HD2 ASN 38 1HD2 ASN 38 -5.105 8.162 -2.708 275 2HD2 ASN 38 2HD2 ASN 38 -5.500 7.256 -4.148 276 H VAL 39 H VAL 39 -2.727 3.353 -3.191 277 HA VAL 39 HA VAL 39 -1.848 3.034 -0.350 278 HB VAL 39 HB VAL 39 -0.780 1.454 -2.721 279 1HG1 VAL 39 1HG1 VAL 39 0.430 0.222 -0.962 280 2HG1 VAL 39 2HG1 VAL 39 0.883 1.925 -0.935 281 3HG1 VAL 39 3HG1 VAL 39 -0.243 1.289 0.283 282 1HG2 VAL 39 1HG2 VAL 39 -1.813 -0.489 -1.419 283 2HG2 VAL 39 2HG2 VAL 39 -2.751 0.715 -0.521 284 3HG2 VAL 39 3HG2 VAL 39 -2.957 0.550 -2.276 285 H VAL 40 H VAL 40 -0.790 4.854 0.064 286 HA VAL 40 HA VAL 40 0.961 6.025 -2.031 287 HB VAL 40 HB VAL 40 -0.221 7.396 0.406 288 1HG1 VAL 40 1HG1 VAL 40 1.796 8.468 -0.549 289 2HG1 VAL 40 2HG1 VAL 40 1.078 8.416 -2.171 290 3HG1 VAL 40 3HG1 VAL 40 0.367 9.447 -0.921 291 1HG2 VAL 40 1HG2 VAL 40 -2.116 6.735 -0.987 292 2HG2 VAL 40 2HG2 VAL 40 -1.816 8.466 -1.120 293 3HG2 VAL 40 3HG2 VAL 40 -1.308 7.384 -2.433 294 H PHE 41 H PHE 41 3.121 5.990 -1.586 295 HA PHE 41 HA PHE 41 4.016 4.923 1.025 296 1HB PHE 41 1HB PHE 41 5.359 5.396 -1.641 297 2HB PHE 41 2HB PHE 41 6.250 4.974 -0.205 298 HD1 PHE 41 HD2 PHE 41 5.879 2.846 0.999 299 HD2 PHE 41 HD1 PHE 41 3.944 3.675 -2.732 300 HE1 PHE 41 HE2 PHE 41 5.697 0.396 0.554 301 HE2 PHE 41 HE1 PHE 41 3.462 1.243 -3.023 302 HZ PHE 41 HZ PHE 41 4.409 -0.401 -1.419 303 H ASP 42 H ASP 42 4.983 6.179 2.555 304 HA ASP 42 HA ASP 42 4.773 9.046 2.328 305 1HB ASP 42 1HB ASP 42 4.518 7.920 4.465 306 2HB ASP 42 2HB ASP 42 6.158 7.267 4.358 307 H GLU 43 H GLU 43 6.056 10.152 1.000 308 HA GLU 43 HA GLU 43 8.263 9.428 -0.361 309 1HB GLU 43 1HB GLU 43 8.701 11.845 -0.678 310 2HB GLU 43 2HB GLU 43 7.012 11.379 -0.912 311 1HG GLU 43 1HG GLU 43 6.465 12.224 1.388 312 2HG GLU 43 2HG GLU 43 8.154 12.713 1.587 313 H ASP 44 H ASP 44 8.438 10.594 2.987 314 HA ASP 44 HA ASP 44 11.378 10.791 2.856 315 1HB ASP 44 1HB ASP 44 10.168 12.402 4.210 316 2HB ASP 44 2HB ASP 44 9.399 11.110 5.147 317 H GLU 45 H GLU 45 8.939 8.744 4.483 318 HA GLU 45 HA GLU 45 10.952 6.982 5.636 319 1HB GLU 45 1HB GLU 45 7.945 6.812 5.551 320 2HB GLU 45 2HB GLU 45 9.004 5.820 6.567 321 1HG GLU 45 1HG GLU 45 9.758 7.808 7.790 322 2HG GLU 45 2HG GLU 45 8.780 8.869 6.770 323 H ILE 46 H ILE 46 11.592 6.823 3.132 324 HA ILE 46 HA ILE 46 11.132 4.032 2.439 325 HB ILE 46 HB ILE 46 10.776 4.597 0.017 326 1HG1 ILE 46 1HG1 ILE 46 10.042 7.369 1.023 327 2HG1 ILE 46 2HG1 ILE 46 11.511 6.979 0.125 328 1HG2 ILE 46 1HG2 ILE 46 8.928 3.869 1.561 329 2HG2 ILE 46 2HG2 ILE 46 8.436 5.564 1.679 330 3HG2 ILE 46 3HG2 ILE 46 8.436 4.734 0.111 331 1HD1 ILE 46 1HD1 ILE 46 8.657 6.802 -0.894 332 2HD1 ILE 46 2HD1 ILE 46 9.969 7.857 -1.451 333 3HD1 ILE 46 3HD1 ILE 46 10.055 6.113 -1.756 334 HA PRO 47 HA PRO 47 15.449 4.382 1.535 335 1HB PRO 47 1HB PRO 47 14.904 3.010 -1.107 336 2HB PRO 47 2HB PRO 47 16.172 2.654 0.097 337 1HG PRO 47 1HG PRO 47 13.968 1.107 -0.015 338 2HG PRO 47 2HG PRO 47 14.546 1.677 1.580 339 1HD PRO 47 1HD PRO 47 12.318 2.880 -0.093 340 2HD PRO 47 2HD PRO 47 12.329 2.432 1.637 341 H ALA 48 H ALA 48 16.050 6.461 1.145 342 HA ALA 48 HA ALA 48 15.031 8.266 -0.691 343 1HB ALA 48 1HB ALA 48 17.081 9.567 -0.293 344 2HB ALA 48 2HB ALA 48 16.409 8.917 1.217 345 3HB ALA 48 3HB ALA 48 17.840 8.157 0.480 346 H GLY 49 H GLY 49 14.868 7.894 -2.793 347 1HA GLY 49 1HA GLY 49 16.499 8.158 -4.828 348 2HA GLY 49 2HA GLY 49 16.999 6.521 -4.348 349 H VAL 50 H VAL 50 14.358 5.676 -3.351 350 HA VAL 50 HA VAL 50 13.247 4.890 -5.936 351 HB VAL 50 HB VAL 50 12.211 4.363 -3.121 352 1HG1 VAL 50 1HG1 VAL 50 11.588 3.108 -5.843 353 2HG1 VAL 50 2HG1 VAL 50 11.034 2.472 -4.288 354 3HG1 VAL 50 3HG1 VAL 50 10.468 4.056 -4.842 355 1HG2 VAL 50 1HG2 VAL 50 14.489 3.418 -3.456 356 2HG2 VAL 50 2HG2 VAL 50 13.256 2.153 -3.399 357 3HG2 VAL 50 3HG2 VAL 50 13.945 2.647 -4.960 358 H ASP 51 H ASP 51 12.147 6.421 -7.055 359 HA ASP 51 HA ASP 51 10.936 8.721 -5.977 360 1HB ASP 51 1HB ASP 51 11.571 8.579 -8.309 361 2HB ASP 51 2HB ASP 51 10.419 7.263 -8.587 362 H ALA 52 H ALA 52 9.371 8.687 -4.525 363 HA ALA 52 HA ALA 52 7.567 6.761 -3.803 364 1HB ALA 52 1HB ALA 52 8.014 8.810 -2.541 365 2HB ALA 52 2HB ALA 52 7.056 9.747 -3.710 366 3HB ALA 52 3HB ALA 52 6.280 8.479 -2.724 367 H VAL 53 H VAL 53 7.172 9.227 -6.361 368 HA VAL 53 HA VAL 53 4.429 8.830 -6.896 369 HB VAL 53 HB VAL 53 6.643 9.701 -8.798 370 1HG1 VAL 53 1HG1 VAL 53 4.805 10.930 -9.960 371 2HG1 VAL 53 2HG1 VAL 53 4.636 9.179 -10.082 372 3HG1 VAL 53 3HG1 VAL 53 3.624 10.088 -8.936 373 1HG2 VAL 53 1HG2 VAL 53 4.811 11.324 -6.970 374 2HG2 VAL 53 2HG2 VAL 53 6.566 11.140 -6.774 375 3HG2 VAL 53 3HG2 VAL 53 5.927 12.001 -8.173 376 H LYS 54 H LYS 54 7.218 6.825 -7.824 377 HA LYS 54 HA LYS 54 5.636 5.429 -9.894 378 1HB LYS 54 1HB LYS 54 8.373 4.806 -8.732 379 2HB LYS 54 2HB LYS 54 7.643 3.995 -10.108 380 1HG LYS 54 1HG LYS 54 8.442 6.917 -9.916 381 2HG LYS 54 2HG LYS 54 9.261 5.670 -10.846 382 1HD LYS 54 1HD LYS 54 6.486 6.844 -11.418 383 2HD LYS 54 2HD LYS 54 7.989 7.187 -12.251 384 1HE LYS 54 1HE LYS 54 6.955 5.713 -13.702 385 2HE LYS 54 2HE LYS 54 8.097 4.666 -12.847 386 1HZ LYS 54 1HZ LYS 54 5.220 4.959 -12.278 387 2HZ LYS 54 2HZ LYS 54 5.924 3.703 -13.075 388 3HZ LYS 54 3HZ LYS 54 6.240 3.944 -11.480 389 H ILE 55 H ILE 55 6.740 4.822 -6.577 390 HA ILE 55 HA ILE 55 5.597 2.127 -6.517 391 HB ILE 55 HB ILE 55 6.091 2.132 -4.188 392 1HG1 ILE 55 1HG1 ILE 55 7.496 4.789 -4.742 393 2HG1 ILE 55 2HG1 ILE 55 5.995 4.618 -3.796 394 1HG2 ILE 55 1HG2 ILE 55 8.453 1.848 -4.515 395 2HG2 ILE 55 2HG2 ILE 55 7.617 1.289 -5.962 396 3HG2 ILE 55 3HG2 ILE 55 8.436 2.870 -5.971 397 1HD1 ILE 55 1HD1 ILE 55 8.742 3.544 -3.177 398 2HD1 ILE 55 2HD1 ILE 55 7.727 4.607 -2.189 399 3HD1 ILE 55 3HD1 ILE 55 7.271 2.890 -2.424 400 H SER 56 H SER 56 4.472 5.366 -5.680 401 HA SER 56 HA SER 56 2.194 4.381 -4.116 402 1HB SER 56 1HB SER 56 2.967 7.164 -5.034 403 2HB SER 56 2HB SER 56 1.730 6.787 -3.855 404 HG SER 56 HG SER 56 4.528 6.495 -3.715 405 H MET 57 H MET 57 0.063 4.541 -4.626 406 HA MET 57 HA MET 57 -0.788 5.002 -7.390 407 1HB MET 57 1HB MET 57 -2.135 4.591 -4.687 408 2HB MET 57 2HB MET 57 -3.078 5.146 -6.066 409 1HG MET 57 1HG MET 57 -1.345 2.675 -6.224 410 2HG MET 57 2HG MET 57 -3.003 2.592 -5.630 411 1HE MET 57 1HE MET 57 -5.168 3.381 -8.732 412 2HE MET 57 2HE MET 57 -5.141 2.867 -7.031 413 3HE MET 57 3HE MET 57 -4.702 4.536 -7.469 414 HA PRO 58 HA PRO 58 -0.436 9.436 -6.403 415 1HB PRO 58 1HB PRO 58 -1.925 10.546 -8.462 416 2HB PRO 58 2HB PRO 58 -0.246 9.961 -8.631 417 1HG PRO 58 1HG PRO 58 -2.790 8.487 -9.298 418 2HG PRO 58 2HG PRO 58 -1.327 8.640 -10.311 419 1HD PRO 58 1HD PRO 58 -1.817 6.434 -8.807 420 2HD PRO 58 2HD PRO 58 -0.148 7.068 -8.929 421 H GLU 59 H GLU 59 -1.688 10.565 -4.939 422 HA GLU 59 HA GLU 59 -3.821 9.495 -3.675 423 1HB GLU 59 1HB GLU 59 -3.361 12.491 -3.907 424 2HB GLU 59 2HB GLU 59 -4.220 11.620 -2.629 425 1HG GLU 59 1HG GLU 59 -1.939 10.290 -2.388 426 2HG GLU 59 2HG GLU 59 -1.244 11.686 -3.226 427 H GLU 60 H GLU 60 -4.027 11.497 -6.532 428 HA GLU 60 HA GLU 60 -6.747 12.150 -6.609 429 1HB GLU 60 1HB GLU 60 -4.950 13.019 -8.104 430 2HB GLU 60 2HB GLU 60 -4.835 11.428 -8.880 431 1HG GLU 60 1HG GLU 60 -7.177 11.665 -9.689 432 2HG GLU 60 2HG GLU 60 -7.292 13.237 -8.881 433 H GLU 61 H GLU 61 -5.087 9.167 -7.607 434 HA GLU 61 HA GLU 61 -7.545 7.973 -8.643 435 1HB GLU 61 1HB GLU 61 -4.680 6.972 -8.365 436 2HB GLU 61 2HB GLU 61 -5.994 6.080 -9.132 437 1HG GLU 61 1HG GLU 61 -4.920 8.791 -10.056 438 2HG GLU 61 2HG GLU 61 -4.637 7.220 -10.822 439 H LEU 62 H LEU 62 -8.579 6.229 -7.856 440 HA LEU 62 HA LEU 62 -7.934 5.200 -5.155 441 1HB LEU 62 1HB LEU 62 -10.565 6.435 -6.064 442 2HB LEU 62 2HB LEU 62 -10.369 5.503 -4.580 443 HG LEU 62 HG LEU 62 -8.882 8.113 -5.154 444 1HD1 LEU 62 1HD1 LEU 62 -11.304 8.460 -5.041 445 2HD1 LEU 62 2HD1 LEU 62 -11.373 7.564 -3.505 446 3HD1 LEU 62 3HD1 LEU 62 -10.500 9.113 -3.599 447 1HD2 LEU 62 1HD2 LEU 62 -9.271 6.454 -2.615 448 2HD2 LEU 62 2HD2 LEU 62 -7.750 6.668 -3.491 449 3HD2 LEU 62 3HD2 LEU 62 -8.496 8.057 -2.702 450 H LEU 63 H LEU 63 -8.657 3.147 -4.831 451 HA LEU 63 HA LEU 63 -9.653 1.555 -7.099 452 1HB LEU 63 1HB LEU 63 -8.936 0.776 -4.242 453 2HB LEU 63 2HB LEU 63 -9.267 -0.323 -5.585 454 HG LEU 63 HG LEU 63 -6.921 1.638 -5.412 455 1HD1 LEU 63 1HD1 LEU 63 -6.819 -0.206 -3.817 456 2HD1 LEU 63 2HD1 LEU 63 -7.046 -1.390 -5.127 457 3HD1 LEU 63 3HD1 LEU 63 -5.577 -0.387 -5.064 458 1HD2 LEU 63 1HD2 LEU 63 -6.036 0.354 -7.369 459 2HD2 LEU 63 2HD2 LEU 63 -7.586 -0.497 -7.488 460 3HD2 LEU 63 3HD2 LEU 63 -7.501 1.256 -7.773 461 H ASN 64 H ASN 64 -11.782 2.101 -7.392 462 HA ASN 64 HA ASN 64 -13.567 2.590 -5.117 463 1HB ASN 64 1HB ASN 64 -15.188 3.231 -6.788 464 2HB ASN 64 2HB ASN 64 -13.659 4.088 -7.019 465 1HD2 ASN 64 1HD2 ASN 64 -15.013 2.829 -10.335 466 2HD2 ASN 64 2HD2 ASN 64 -15.747 3.755 -9.039 467 H ALA 65 H ALA 65 -13.416 0.269 -7.879 468 HA ALA 65 HA ALA 65 -15.702 -1.182 -6.846 469 1HB ALA 65 1HB ALA 65 -13.741 -1.938 -9.044 470 2HB ALA 65 2HB ALA 65 -15.293 -2.723 -8.721 471 3HB ALA 65 3HB ALA 65 -15.250 -1.030 -9.255 472 HA PRO 66 HA PRO 66 -13.456 -3.868 -4.058 473 1HB PRO 66 1HB PRO 66 -15.032 -6.112 -4.043 474 2HB PRO 66 2HB PRO 66 -15.473 -4.594 -3.227 475 1HG PRO 66 1HG PRO 66 -16.343 -5.540 -5.965 476 2HG PRO 66 2HG PRO 66 -17.375 -4.885 -4.657 477 1HD PRO 66 1HD PRO 66 -16.534 -3.329 -6.700 478 2HD PRO 66 2HD PRO 66 -16.571 -2.665 -5.038 479 H GLY 67 H GLY 67 -11.970 -5.693 -4.186 480 1HA GLY 67 1HA GLY 67 -10.967 -7.511 -5.171 481 2HA GLY 67 2HA GLY 67 -12.026 -7.406 -6.575 482 H GLU 68 H GLU 68 -11.197 -4.385 -6.858 483 HA GLU 68 HA GLU 68 -9.247 -4.706 -8.821 484 1HB GLU 68 1HB GLU 68 -9.805 -2.314 -7.024 485 2HB GLU 68 2HB GLU 68 -8.768 -2.269 -8.463 486 1HG GLU 68 1HG GLU 68 -10.641 -2.990 -9.889 487 2HG GLU 68 2HG GLU 68 -11.718 -3.029 -8.490 488 H THR 69 H THR 69 -7.096 -5.127 -8.829 489 HA THR 69 HA THR 69 -5.597 -5.188 -6.273 490 HB THR 69 HB THR 69 -4.056 -6.575 -7.767 491 HG1 THR 69 HG1 THR 69 -5.061 -5.814 -9.702 492 1HG2 THR 69 1HG2 THR 69 -6.863 -7.624 -7.250 493 2HG2 THR 69 2HG2 THR 69 -5.406 -8.606 -7.519 494 3HG2 THR 69 3HG2 THR 69 -5.521 -7.565 -6.080 495 OH TYR 70 OH TYR 70 2.030 1.396 -7.302 496 H TYR 70 H TYR 70 -4.223 -3.585 -5.918 497 HA TYR 70 HA TYR 70 -2.973 -2.164 -8.232 498 1HB TYR 70 1HB TYR 70 -3.768 -0.649 -6.540 499 2HB TYR 70 2HB TYR 70 -2.968 -1.543 -5.260 500 HD1 TYR 70 HD1 TYR 70 -2.024 -0.104 -8.631 501 HD2 TYR 70 HD2 TYR 70 -0.988 -0.492 -4.458 502 HE1 TYR 70 HE1 TYR 70 0.179 0.924 -9.078 503 HE2 TYR 70 HE2 TYR 70 1.184 0.611 -4.907 504 HH TYR 70 HH TYR 70 2.538 1.602 -6.510 505 H VAL 71 H VAL 71 -1.321 -3.358 -9.016 506 HA VAL 71 HA VAL 71 0.278 -5.031 -7.187 507 HB VAL 71 HB VAL 71 0.335 -4.897 -10.221 508 1HG1 VAL 71 1HG1 VAL 71 1.402 -7.157 -9.921 509 2HG1 VAL 71 2HG1 VAL 71 2.384 -5.847 -9.253 510 3HG1 VAL 71 3HG1 VAL 71 1.424 -6.868 -8.164 511 1HG2 VAL 71 1HG2 VAL 71 -1.180 -6.773 -8.351 512 2HG2 VAL 71 2HG2 VAL 71 -1.903 -5.636 -9.509 513 3HG2 VAL 71 3HG2 VAL 71 -0.980 -7.021 -10.096 514 H VAL 72 H VAL 72 2.426 -4.621 -6.749 515 HA VAL 72 HA VAL 72 3.941 -2.630 -8.311 516 HB VAL 72 HB VAL 72 2.716 -1.348 -6.549 517 1HG1 VAL 72 1HG1 VAL 72 3.451 -1.514 -4.217 518 2HG1 VAL 72 2HG1 VAL 72 2.633 -3.001 -4.752 519 3HG1 VAL 72 3HG1 VAL 72 4.408 -2.955 -4.590 520 1HG2 VAL 72 1HG2 VAL 72 4.537 -0.010 -5.825 521 2HG2 VAL 72 2HG2 VAL 72 5.708 -1.309 -6.043 522 3HG2 VAL 72 3HG2 VAL 72 4.912 -0.576 -7.460 523 H THR 73 H THR 73 6.262 -2.671 -7.498 524 HA THR 73 HA THR 73 7.038 -5.217 -6.222 525 HB THR 73 HB THR 73 7.987 -4.436 -9.022 526 HG1 THR 73 HG1 THR 73 5.862 -5.954 -8.101 527 1HG2 THR 73 1HG2 THR 73 8.955 -6.717 -9.017 528 2HG2 THR 73 2HG2 THR 73 9.653 -5.740 -7.713 529 3HG2 THR 73 3HG2 THR 73 8.402 -6.949 -7.350 530 H LEU 74 H LEU 74 8.768 -4.870 -4.921 531 HA LEU 74 HA LEU 74 10.182 -2.240 -5.156 532 1HB LEU 74 1HB LEU 74 9.678 -3.889 -2.674 533 2HB LEU 74 2HB LEU 74 10.443 -2.293 -2.796 534 HG LEU 74 HG LEU 74 7.520 -2.924 -3.429 535 1HD1 LEU 74 1HD1 LEU 74 8.066 -3.006 -1.013 536 2HD1 LEU 74 2HD1 LEU 74 8.760 -1.374 -1.120 537 3HD1 LEU 74 3HD1 LEU 74 7.027 -1.628 -1.412 538 1HD2 LEU 74 1HD2 LEU 74 9.056 -0.290 -3.434 539 2HD2 LEU 74 2HD2 LEU 74 8.252 -1.047 -4.825 540 3HD2 LEU 74 3HD2 LEU 74 7.284 -0.421 -3.489 541 H ASP 75 H ASP 75 12.168 -2.447 -5.870 542 HA ASP 75 HA ASP 75 13.650 -4.994 -5.666 543 1HB ASP 75 1HB ASP 75 13.586 -3.882 -7.824 544 2HB ASP 75 2HB ASP 75 14.201 -2.377 -7.120 545 H THR 76 H THR 76 14.047 -1.530 -4.697 546 HA THR 76 HA THR 76 16.601 -1.979 -3.490 547 HB THR 76 HB THR 76 14.683 0.319 -2.963 548 HG1 THR 76 HG1 THR 76 16.309 -0.199 -5.225 549 1HG2 THR 76 1HG2 THR 76 16.753 1.648 -2.893 550 2HG2 THR 76 2HG2 THR 76 16.792 0.363 -1.673 551 3HG2 THR 76 3HG2 THR 76 17.725 0.191 -3.177 552 H LYS 77 H LYS 77 16.975 -2.934 -1.560 553 HA LYS 77 HA LYS 77 14.918 -3.697 0.238 554 1HB LYS 77 1HB LYS 77 16.749 -4.390 1.737 555 2HB LYS 77 2HB LYS 77 16.876 -5.023 0.093 556 1HG LYS 77 1HG LYS 77 18.615 -3.387 -0.458 557 2HG LYS 77 2HG LYS 77 18.449 -2.620 1.133 558 1HD LYS 77 1HD LYS 77 19.154 -4.695 2.242 559 2HD LYS 77 2HD LYS 77 19.217 -5.550 0.691 560 1HE LYS 77 1HE LYS 77 20.955 -3.142 1.417 561 2HE LYS 77 2HE LYS 77 21.463 -4.836 1.531 562 1HZ LYS 77 1HZ LYS 77 22.187 -3.875 -0.498 563 2HZ LYS 77 2HZ LYS 77 21.084 -5.056 -0.816 564 3HZ LYS 77 3HZ LYS 77 20.655 -3.469 -0.938 565 H GLY 78 H GLY 78 14.537 -3.053 2.421 566 1HA GLY 78 1HA GLY 78 15.348 -1.350 4.164 567 2HA GLY 78 2HA GLY 78 14.898 -0.140 2.950 568 H THR 79 H THR 79 13.584 0.150 5.222 569 HA THR 79 HA THR 79 10.983 -1.259 5.064 570 HB THR 79 HB THR 79 12.190 0.447 7.245 571 HG1 THR 79 HG1 THR 79 11.555 -2.330 7.241 572 1HG2 THR 79 1HG2 THR 79 9.548 -1.088 7.126 573 2HG2 THR 79 2HG2 THR 79 10.269 -0.399 8.597 574 3HG2 THR 79 3HG2 THR 79 9.744 0.671 7.290 575 OH TYR 80 OH TYR 80 12.092 -0.046 -2.237 576 H TYR 80 H TYR 80 9.488 -0.373 3.925 577 HA TYR 80 HA TYR 80 9.465 2.544 3.346 578 1HB TYR 80 1HB TYR 80 8.044 0.153 2.113 579 2HB TYR 80 2HB TYR 80 7.783 1.815 1.640 580 HD1 TYR 80 HD2 TYR 80 10.688 -0.582 2.026 581 HD2 TYR 80 HD1 TYR 80 8.646 2.294 -0.447 582 HE1 TYR 80 HE2 TYR 80 12.294 -1.000 0.230 583 HE2 TYR 80 HE1 TYR 80 10.160 1.740 -2.313 584 HH TYR 80 HH TYR 80 12.735 -0.719 -1.981 585 H SER 81 H SER 81 7.780 3.774 4.198 586 HA SER 81 HA SER 81 5.605 2.325 5.677 587 1HB SER 81 1HB SER 81 6.423 5.231 5.878 588 2HB SER 81 2HB SER 81 5.261 4.374 6.897 589 HG SER 81 HG SER 81 8.007 3.673 6.631 590 H PHE 82 H PHE 82 3.439 2.619 5.070 591 HA PHE 82 HA PHE 82 2.883 4.565 2.935 592 1HB PHE 82 1HB PHE 82 1.658 2.850 1.627 593 2HB PHE 82 2HB PHE 82 3.352 2.565 1.711 594 HD1 PHE 82 HD2 PHE 82 0.114 1.584 3.346 595 HD2 PHE 82 HD1 PHE 82 4.143 0.325 2.379 596 HE1 PHE 82 HE2 PHE 82 -0.315 -0.624 4.338 597 HE2 PHE 82 HE1 PHE 82 3.637 -1.905 3.284 598 HZ PHE 82 HZ PHE 82 1.449 -2.364 4.356 599 OH TYR 83 OH TYR 83 0.151 10.800 1.326 600 H TYR 83 H TYR 83 0.597 4.724 2.446 601 HA TYR 83 HA TYR 83 -1.251 4.150 4.646 602 1HB TYR 83 1HB TYR 83 -1.783 6.429 5.129 603 2HB TYR 83 2HB TYR 83 -0.053 6.215 5.365 604 HD1 TYR 83 HD1 TYR 83 1.571 7.146 3.647 605 HD2 TYR 83 HD2 TYR 83 -2.649 8.021 3.572 606 HE1 TYR 83 HE1 TYR 83 2.007 9.177 2.271 607 HE2 TYR 83 HE2 TYR 83 -2.206 10.022 2.176 608 HH TYR 83 HH TYR 83 -0.660 11.152 0.940 609 H CYS 84 H CYS 84 -3.437 4.837 4.232 610 HA CYS 84 HA CYS 84 -4.152 4.797 1.313 611 1HB CYS 84 1HB CYS 84 -5.189 2.997 2.587 612 2HB CYS 84 2HB CYS 84 -5.619 4.139 3.874 613 H SER 85 H SER 85 -4.270 6.817 0.557 614 HA SER 85 HA SER 85 -4.288 9.092 1.950 615 1HB SER 85 1HB SER 85 -3.955 8.802 -0.514 616 2HB SER 85 2HB SER 85 -5.698 8.938 -0.726 617 HG SER 85 HG SER 85 -3.848 10.854 0.197 618 HA PRO 86 HA PRO 86 -8.963 9.998 2.092 619 1HB PRO 86 1HB PRO 86 -10.833 8.031 1.673 620 2HB PRO 86 2HB PRO 86 -10.142 9.034 0.367 621 1HG PRO 86 1HG PRO 86 -9.191 6.304 1.274 622 2HG PRO 86 2HG PRO 86 -9.644 6.796 -0.383 623 1HD PRO 86 1HD PRO 86 -7.053 6.859 0.305 624 2HD PRO 86 2HD PRO 86 -7.758 8.268 -0.537 625 H HIS 87 H HIS 87 -7.295 7.406 3.613 626 HA HIS 87 HA HIS 87 -9.028 7.727 6.023 627 1HB HIS 87 1HB HIS 87 -7.857 5.174 4.917 628 2HB HIS 87 2HB HIS 87 -8.637 5.318 6.495 629 HD2 HIS 87 HD2 HIS 87 -11.289 6.729 6.041 630 HE1 HIS 87 HE1 HIS 87 -12.108 3.940 2.947 631 HE2 HIS 87 HE2 HIS 87 -13.124 5.641 4.532 632 H GLN 88 H GLN 88 -6.377 8.903 4.933 633 HA GLN 88 HA GLN 88 -4.289 7.932 6.572 634 1HB GLN 88 1HB GLN 88 -3.936 9.516 4.718 635 2HB GLN 88 2HB GLN 88 -4.910 10.731 5.523 636 1HG GLN 88 1HG GLN 88 -2.663 11.379 5.802 637 2HG GLN 88 2HG GLN 88 -3.187 10.816 7.385 638 1HE2 GLN 88 1HE2 GLN 88 0.139 9.264 5.874 639 2HE2 GLN 88 2HE2 GLN 88 -0.552 10.805 5.409 640 H GLY 89 H GLY 89 -6.674 10.547 7.108 641 1HA GLY 89 1HA GLY 89 -6.019 11.268 9.745 642 2HA GLY 89 2HA GLY 89 -7.624 11.412 9.009 643 H ALA 90 H ALA 90 -7.946 8.523 8.537 644 HA ALA 90 HA ALA 90 -8.900 7.762 11.195 645 1HB ALA 90 1HB ALA 90 -9.070 6.292 8.542 646 2HB ALA 90 2HB ALA 90 -9.960 5.910 10.027 647 3HB ALA 90 3HB ALA 90 -10.281 7.432 9.173 648 H GLY 91 H GLY 91 -5.845 7.563 9.849 649 1HA GLY 91 1HA GLY 91 -4.018 6.473 10.611 650 2HA GLY 91 2HA GLY 91 -5.009 5.561 11.755 651 H MET 92 H MET 92 -5.816 5.478 8.268 652 HA MET 92 HA MET 92 -5.229 2.597 8.295 653 1HB MET 92 1HB MET 92 -7.223 3.425 7.155 654 2HB MET 92 2HB MET 92 -6.198 4.333 6.025 655 1HG MET 92 1HG MET 92 -5.243 2.291 5.144 656 2HG MET 92 2HG MET 92 -5.876 1.344 6.480 657 1HE MET 92 1HE MET 92 -5.880 0.465 3.404 658 2HE MET 92 2HE MET 92 -6.264 -0.466 4.859 659 3HE MET 92 3HE MET 92 -7.416 -0.428 3.507 660 H VAL 93 H VAL 93 -3.022 2.814 8.812 661 HA VAL 93 HA VAL 93 -1.212 3.443 6.530 662 HB VAL 93 HB VAL 93 0.469 4.153 8.080 663 1HG1 VAL 93 1HG1 VAL 93 -2.128 5.568 8.829 664 2HG1 VAL 93 2HG1 VAL 93 -0.485 6.230 8.861 665 3HG1 VAL 93 3HG1 VAL 93 -1.248 5.822 7.316 666 1HG2 VAL 93 1HG2 VAL 93 -1.563 3.612 10.280 667 2HG2 VAL 93 2HG2 VAL 93 -0.065 2.697 9.993 668 3HG2 VAL 93 3HG2 VAL 93 0.015 4.398 10.489 669 H GLY 94 H GLY 94 0.941 2.266 6.706 670 1HA GLY 94 1HA GLY 94 1.093 -0.172 8.200 671 2HA GLY 94 2HA GLY 94 0.590 -0.488 6.528 672 H LYS 95 H LYS 95 2.941 -1.595 6.977 673 HA LYS 95 HA LYS 95 4.872 0.134 5.598 674 1HB LYS 95 1HB LYS 95 5.703 -1.275 8.174 675 2HB LYS 95 2HB LYS 95 6.678 -0.217 7.154 676 1HG LYS 95 1HG LYS 95 5.090 1.685 7.773 677 2HG LYS 95 2HG LYS 95 4.359 0.574 8.946 678 1HD LYS 95 1HD LYS 95 6.637 0.293 9.997 679 2HD LYS 95 2HD LYS 95 7.285 1.444 8.815 680 1HE LYS 95 1HE LYS 95 6.869 2.574 10.930 681 2HE LYS 95 2HE LYS 95 5.792 3.216 9.681 682 1HZ LYS 95 1HZ LYS 95 4.041 1.874 10.573 683 2HZ LYS 95 2HZ LYS 95 5.053 1.180 11.675 684 3HZ LYS 95 3HZ LYS 95 4.689 2.785 11.780 685 H VAL 96 H VAL 96 6.773 -1.070 4.836 686 HA VAL 96 HA VAL 96 6.494 -4.000 4.806 687 HB VAL 96 HB VAL 96 5.157 -3.515 3.011 688 1HG1 VAL 96 1HG1 VAL 96 5.975 -1.127 2.518 689 2HG1 VAL 96 2HG1 VAL 96 7.333 -1.878 1.651 690 3HG1 VAL 96 3HG1 VAL 96 5.675 -2.135 1.094 691 1HG2 VAL 96 1HG2 VAL 96 6.802 -5.327 2.702 692 2HG2 VAL 96 2HG2 VAL 96 6.247 -4.586 1.183 693 3HG2 VAL 96 3HG2 VAL 96 7.852 -4.187 1.819 694 H THR 97 H THR 97 8.341 -4.875 5.143 695 HA THR 97 HA THR 97 10.860 -3.328 4.783 696 HB THR 97 HB THR 97 10.275 -5.710 6.528 697 HG1 THR 97 HG1 THR 97 9.389 -3.792 7.238 698 1HG2 THR 97 1HG2 THR 97 12.518 -5.149 7.498 699 2HG2 THR 97 2HG2 THR 97 12.637 -5.774 5.847 700 3HG2 THR 97 3HG2 THR 97 12.808 -4.032 6.150 701 H VAL 98 H VAL 98 11.460 -3.475 2.758 702 HA VAL 98 HA VAL 98 11.381 -5.943 1.253 703 HB VAL 98 HB VAL 98 12.758 -3.304 0.663 704 1HG1 VAL 98 1HG1 VAL 98 12.619 -4.057 -1.687 705 2HG1 VAL 98 2HG1 VAL 98 13.517 -5.258 -0.743 706 3HG1 VAL 98 3HG1 VAL 98 11.823 -5.560 -1.179 707 1HG2 VAL 98 1HG2 VAL 98 10.755 -2.816 -0.670 708 2HG2 VAL 98 2HG2 VAL 98 9.977 -4.301 -0.092 709 3HG2 VAL 98 3HG2 VAL 98 10.326 -2.968 1.028 710 H ASN 99 H ASN 99 12.941 -7.535 1.524 711 HA ASN 99 HA ASN 99 15.683 -6.811 2.462 712 1HB ASN 99 1HB ASN 99 15.552 -8.223 4.406 713 2HB ASN 99 2HB ASN 99 14.208 -7.081 4.511 714 1HD2 ASN 99 1HD2 ASN 99 11.717 -9.656 3.919 715 2HD2 ASN 99 2HD2 ASN 99 11.994 -7.922 3.746 Start of MODEL 3 Raw file had 715 H/Q atoms Start of MODEL 3 1 H LEU 1 H LEU 1 3.824 -9.527 -2.346 2 HA LEU 1 HA LEU 1 2.812 -11.248 -0.871 3 1HB LEU 1 1HB LEU 1 3.878 -9.862 1.107 4 2HB LEU 1 2HB LEU 1 2.350 -8.986 1.096 5 HG LEU 1 HG LEU 1 1.280 -11.394 1.374 6 1HD1 LEU 1 1HD1 LEU 1 2.777 -12.991 2.519 7 2HD1 LEU 1 2HD1 LEU 1 3.392 -12.654 0.890 8 3HD1 LEU 1 3HD1 LEU 1 4.149 -11.884 2.301 9 1HD2 LEU 1 1HD2 LEU 1 1.275 -9.643 3.093 10 2HD2 LEU 1 2HD2 LEU 1 1.545 -11.250 3.798 11 3HD2 LEU 1 3HD2 LEU 1 2.908 -10.126 3.603 12 H GLU 2 H GLU 2 0.476 -11.426 -0.434 13 HA GLU 2 HA GLU 2 -1.120 -9.524 -2.054 14 1HB GLU 2 1HB GLU 2 -1.264 -11.966 -2.492 15 2HB GLU 2 2HB GLU 2 -1.969 -12.177 -0.872 16 1HG GLU 2 1HG GLU 2 -3.829 -10.637 -1.502 17 2HG GLU 2 2HG GLU 2 -3.100 -10.407 -3.100 18 H VAL 3 H VAL 3 -1.339 -7.802 -0.778 19 HA VAL 3 HA VAL 3 -2.213 -8.010 2.028 20 HB VAL 3 HB VAL 3 -1.578 -5.571 0.328 21 1HG1 VAL 3 1HG1 VAL 3 -1.803 -5.934 3.349 22 2HG1 VAL 3 2HG1 VAL 3 -1.236 -4.466 2.544 23 3HG1 VAL 3 3HG1 VAL 3 -2.908 -4.998 2.321 24 1HG2 VAL 3 1HG2 VAL 3 0.598 -5.529 1.493 25 2HG2 VAL 3 2HG2 VAL 3 0.254 -7.120 2.201 26 3HG2 VAL 3 3HG2 VAL 3 0.439 -6.936 0.443 27 H LEU 4 H LEU 4 -4.246 -7.460 2.715 28 HA LEU 4 HA LEU 4 -6.310 -6.885 0.635 29 1HB LEU 4 1HB LEU 4 -6.624 -7.782 3.507 30 2HB LEU 4 2HB LEU 4 -7.902 -7.594 2.318 31 HG LEU 4 HG LEU 4 -5.631 -9.633 2.239 32 1HD1 LEU 4 1HD1 LEU 4 -7.453 -11.256 2.536 33 2HD1 LEU 4 2HD1 LEU 4 -7.439 -10.086 3.869 34 3HD1 LEU 4 3HD1 LEU 4 -8.646 -9.941 2.572 35 1HD2 LEU 4 1HD2 LEU 4 -6.121 -9.029 -0.074 36 2HD2 LEU 4 2HD2 LEU 4 -6.877 -10.585 0.270 37 3HD2 LEU 4 3HD2 LEU 4 -7.873 -9.114 0.232 38 H LEU 5 H LEU 5 -7.056 -4.906 0.458 39 HA LEU 5 HA LEU 5 -6.356 -2.770 2.362 40 1HB LEU 5 1HB LEU 5 -7.873 -2.813 -0.268 41 2HB LEU 5 2HB LEU 5 -7.520 -1.352 0.648 42 HG LEU 5 HG LEU 5 -5.345 -3.187 -0.432 43 1HD1 LEU 5 1HD1 LEU 5 -6.662 -0.756 -1.723 44 2HD1 LEU 5 2HD1 LEU 5 -5.172 -1.503 -2.304 45 3HD1 LEU 5 3HD1 LEU 5 -6.683 -2.423 -2.334 46 1HD2 LEU 5 1HD2 LEU 5 -5.377 -0.246 0.426 47 2HD2 LEU 5 2HD2 LEU 5 -4.732 -1.594 1.382 48 3HD2 LEU 5 3HD2 LEU 5 -3.968 -1.153 -0.154 49 H GLY 6 H GLY 6 -7.589 -3.001 4.204 50 1HA GLY 6 1HA GLY 6 -9.529 -2.451 5.349 51 2HA GLY 6 2HA GLY 6 -10.538 -2.841 3.950 52 H SER 7 H SER 7 -11.002 -3.909 6.570 53 HA SER 7 HA SER 7 -10.191 -6.761 6.350 54 1HB SER 7 1HB SER 7 -10.813 -6.771 8.769 55 2HB SER 7 2HB SER 7 -9.491 -5.657 8.405 56 HG SER 7 HG SER 7 -10.969 -3.943 8.423 57 H GLY 8 H GLY 8 -11.825 -8.246 6.861 58 1HA GLY 8 1HA GLY 8 -14.246 -8.076 5.398 59 2HA GLY 8 2HA GLY 8 -13.909 -9.263 6.666 60 H ASP 9 H ASP 9 -13.545 -7.329 8.787 61 HA ASP 9 HA ASP 9 -16.313 -6.926 9.560 62 1HB ASP 9 1HB ASP 9 -15.374 -6.137 11.659 63 2HB ASP 9 2HB ASP 9 -14.592 -7.643 11.168 64 H GLY 10 H GLY 10 -14.342 -5.064 7.529 65 1HA GLY 10 1HA GLY 10 -15.094 -3.104 6.548 66 2HA GLY 10 2HA GLY 10 -16.059 -2.690 7.962 67 H SER 11 H SER 11 -13.362 -3.441 9.594 68 HA SER 11 HA SER 11 -12.629 -0.758 9.954 69 1HB SER 11 1HB SER 11 -12.205 -2.407 11.650 70 2HB SER 11 2HB SER 11 -10.971 -3.210 10.653 71 HG SER 11 HG SER 11 -10.105 -1.683 12.162 72 H LEU 12 H LEU 12 -11.252 0.554 9.091 73 HA LEU 12 HA LEU 12 -10.198 0.097 6.431 74 1HB LEU 12 1HB LEU 12 -10.057 2.470 8.351 75 2HB LEU 12 2HB LEU 12 -9.675 2.533 6.632 76 HG LEU 12 HG LEU 12 -12.448 1.822 7.718 77 1HD1 LEU 12 1HD1 LEU 12 -13.030 4.157 7.084 78 2HD1 LEU 12 2HD1 LEU 12 -11.882 4.065 8.431 79 3HD1 LEU 12 3HD1 LEU 12 -11.303 4.484 6.811 80 1HD2 LEU 12 1HD2 LEU 12 -12.031 1.012 5.432 81 2HD2 LEU 12 2HD2 LEU 12 -13.150 2.381 5.406 82 3HD2 LEU 12 3HD2 LEU 12 -11.450 2.620 4.949 83 H VAL 13 H VAL 13 -8.795 -1.670 7.364 84 HA VAL 13 HA VAL 13 -6.100 -0.505 8.006 85 HB VAL 13 HB VAL 13 -5.655 -2.534 9.352 86 1HG1 VAL 13 1HG1 VAL 13 -6.278 -0.395 10.417 87 2HG1 VAL 13 2HG1 VAL 13 -7.991 -0.857 10.366 88 3HG1 VAL 13 3HG1 VAL 13 -6.849 -1.788 11.354 89 1HG2 VAL 13 1HG2 VAL 13 -7.457 -3.929 10.189 90 2HG2 VAL 13 2HG2 VAL 13 -8.663 -3.039 9.249 91 3HG2 VAL 13 3HG2 VAL 13 -7.436 -4.023 8.422 92 H PHE 14 H PHE 14 -4.310 -1.613 7.214 93 HA PHE 14 HA PHE 14 -4.770 -3.136 4.711 94 1HB PHE 14 1HB PHE 14 -2.316 -2.006 6.128 95 2HB PHE 14 2HB PHE 14 -2.205 -3.104 4.771 96 HD1 PHE 14 HD2 PHE 14 -3.314 0.301 5.804 97 HD2 PHE 14 HD1 PHE 14 -2.371 -2.331 2.517 98 HE1 PHE 14 HE2 PHE 14 -3.057 2.244 4.284 99 HE2 PHE 14 HE1 PHE 14 -1.977 -0.393 1.083 100 HZ PHE 14 HZ PHE 14 -2.484 1.906 1.894 101 H VAL 15 H VAL 15 -4.649 -5.402 4.763 102 HA VAL 15 HA VAL 15 -3.619 -6.659 7.287 103 HB VAL 15 HB VAL 15 -5.835 -7.681 5.518 104 1HG1 VAL 15 1HG1 VAL 15 -4.569 -9.457 6.686 105 2HG1 VAL 15 2HG1 VAL 15 -4.785 -8.600 8.228 106 3HG1 VAL 15 3HG1 VAL 15 -6.188 -9.268 7.367 107 1HG2 VAL 15 1HG2 VAL 15 -6.642 -5.692 6.668 108 2HG2 VAL 15 2HG2 VAL 15 -7.303 -7.128 7.450 109 3HG2 VAL 15 3HG2 VAL 15 -5.948 -6.260 8.205 110 HA PRO 16 HA PRO 16 -1.804 -7.632 7.890 111 1HB PRO 16 1HB PRO 16 0.882 -7.748 7.663 112 2HB PRO 16 2HB PRO 16 -0.146 -9.209 7.572 113 1HG PRO 16 1HG PRO 16 0.952 -7.591 5.250 114 2HG PRO 16 2HG PRO 16 1.080 -9.355 5.519 115 1HD PRO 16 1HD PRO 16 -0.874 -8.267 3.948 116 2HD PRO 16 2HD PRO 16 -1.229 -9.668 4.989 117 H SER 17 H SER 17 -0.829 -5.804 8.983 118 HA SER 17 HA SER 17 -0.968 -3.333 7.469 119 1HB SER 17 1HB SER 17 -0.163 -3.641 10.375 120 2HB SER 17 2HB SER 17 -0.953 -2.272 9.564 121 HG SER 17 HG SER 17 -2.650 -3.993 9.076 122 H GLU 18 H GLU 18 1.580 -5.213 9.138 123 HA GLU 18 HA GLU 18 3.646 -3.727 7.629 124 1HB GLU 18 1HB GLU 18 5.121 -3.853 9.559 125 2HB GLU 18 2HB GLU 18 3.695 -2.852 9.872 126 1HG GLU 18 1HG GLU 18 2.652 -4.733 11.135 127 2HG GLU 18 2HG GLU 18 4.071 -5.737 10.779 128 H PHE 19 H PHE 19 5.338 -5.084 6.883 129 HA PHE 19 HA PHE 19 5.502 -7.856 7.577 130 1HB PHE 19 1HB PHE 19 4.704 -8.840 5.497 131 2HB PHE 19 2HB PHE 19 3.407 -8.013 6.306 132 HD1 PHE 19 HD2 PHE 19 2.806 -5.570 5.499 133 HD2 PHE 19 HD1 PHE 19 4.929 -8.525 3.171 134 HE1 PHE 19 HE2 PHE 19 2.282 -4.330 3.448 135 HE2 PHE 19 HE1 PHE 19 4.356 -7.275 1.103 136 HZ PHE 19 HZ PHE 19 3.088 -5.149 1.242 137 H SER 20 H SER 20 6.839 -8.996 5.618 138 HA SER 20 HA SER 20 8.910 -7.139 4.624 139 1HB SER 20 1HB SER 20 10.587 -8.798 5.454 140 2HB SER 20 2HB SER 20 9.744 -7.959 6.772 141 HG SER 20 HG SER 20 8.838 -10.445 5.745 142 H VAL 21 H VAL 21 9.602 -7.757 2.558 143 HA VAL 21 HA VAL 21 8.780 -10.436 1.579 144 HB VAL 21 HB VAL 21 8.238 -9.462 -0.585 145 1HG1 VAL 21 1HG1 VAL 21 6.108 -8.501 0.001 146 2HG1 VAL 21 2HG1 VAL 21 6.480 -9.789 1.162 147 3HG1 VAL 21 3HG1 VAL 21 6.690 -8.082 1.625 148 1HG2 VAL 21 1HG2 VAL 21 7.891 -7.034 -0.856 149 2HG2 VAL 21 2HG2 VAL 21 8.635 -6.734 0.724 150 3HG2 VAL 21 3HG2 VAL 21 9.596 -7.411 -0.609 151 HA PRO 22 HA PRO 22 13.057 -10.704 0.279 152 1HB PRO 22 1HB PRO 22 11.963 -12.035 -2.198 153 2HB PRO 22 2HB PRO 22 13.266 -12.601 -1.116 154 1HG PRO 22 1HG PRO 22 10.786 -13.718 -1.007 155 2HG PRO 22 2HG PRO 22 11.675 -13.347 0.500 156 1HD PRO 22 1HD PRO 22 9.471 -11.715 -0.797 157 2HD PRO 22 2HD PRO 22 9.716 -12.196 0.905 158 H SER 23 H SER 23 14.413 -9.485 -1.075 159 HA SER 23 HA SER 23 13.505 -7.213 -2.409 160 1HB SER 23 1HB SER 23 16.005 -8.782 -3.153 161 2HB SER 23 2HB SER 23 15.703 -7.052 -3.407 162 HG SER 23 HG SER 23 15.887 -8.404 -0.910 163 H GLY 24 H GLY 24 12.272 -6.960 -4.208 164 1HA GLY 24 1HA GLY 24 11.937 -7.111 -6.506 165 2HA GLY 24 2HA GLY 24 12.798 -8.646 -6.599 166 H GLU 25 H GLU 25 10.742 -9.131 -3.964 167 HA GLU 25 HA GLU 25 8.953 -10.606 -5.670 168 1HB GLU 25 1HB GLU 25 9.272 -10.266 -2.734 169 2HB GLU 25 2HB GLU 25 7.624 -10.575 -3.255 170 1HG GLU 25 1HG GLU 25 10.003 -12.294 -4.083 171 2HG GLU 25 2HG GLU 25 8.899 -12.676 -2.756 172 H LYS 26 H LYS 26 6.695 -10.399 -5.876 173 HA LYS 26 HA LYS 26 5.918 -7.658 -6.493 174 1HB LYS 26 1HB LYS 26 4.518 -10.342 -6.850 175 2HB LYS 26 2HB LYS 26 3.968 -8.788 -7.488 176 1HG LYS 26 1HG LYS 26 6.075 -8.591 -8.815 177 2HG LYS 26 2HG LYS 26 6.587 -10.177 -8.210 178 1HD LYS 26 1HD LYS 26 4.551 -11.214 -9.219 179 2HD LYS 26 2HD LYS 26 4.049 -9.623 -9.816 180 1HE LYS 26 1HE LYS 26 5.101 -10.853 -11.627 181 2HE LYS 26 2HE LYS 26 6.136 -9.486 -11.182 182 1HZ LYS 26 1HZ LYS 26 6.504 -12.275 -10.314 183 2HZ LYS 26 2HZ LYS 26 7.364 -11.512 -11.493 184 3HZ LYS 26 3HZ LYS 26 7.493 -11.011 -9.932 185 H ILE 27 H ILE 27 4.271 -6.508 -5.527 186 HA ILE 27 HA ILE 27 2.983 -7.665 -3.103 187 HB ILE 27 HB ILE 27 3.672 -4.773 -3.567 188 1HG1 ILE 27 1HG1 ILE 27 5.141 -6.710 -1.719 189 2HG1 ILE 27 2HG1 ILE 27 5.773 -6.181 -3.284 190 1HG2 ILE 27 1HG2 ILE 27 3.046 -4.524 -1.193 191 2HG2 ILE 27 2HG2 ILE 27 1.725 -5.269 -2.078 192 3HG2 ILE 27 3HG2 ILE 27 2.777 -6.276 -1.069 193 1HD1 ILE 27 1HD1 ILE 27 5.210 -4.331 -0.951 194 2HD1 ILE 27 2HD1 ILE 27 6.787 -4.859 -1.556 195 3HD1 ILE 27 3HD1 ILE 27 5.748 -3.834 -2.564 196 H VAL 28 H VAL 28 0.846 -7.637 -3.192 197 HA VAL 28 HA VAL 28 -0.577 -6.119 -5.345 198 HB VAL 28 HB VAL 28 -1.150 -8.902 -4.234 199 1HG1 VAL 28 1HG1 VAL 28 -2.936 -8.960 -5.968 200 2HG1 VAL 28 2HG1 VAL 28 -3.250 -7.732 -4.738 201 3HG1 VAL 28 3HG1 VAL 28 -2.622 -7.249 -6.327 202 1HG2 VAL 28 1HG2 VAL 28 -0.246 -8.040 -7.009 203 2HG2 VAL 28 2HG2 VAL 28 0.742 -8.920 -5.824 204 3HG2 VAL 28 3HG2 VAL 28 -0.691 -9.685 -6.520 205 H PHE 29 H PHE 29 -2.141 -4.822 -4.550 206 HA PHE 29 HA PHE 29 -3.008 -5.082 -1.684 207 1HB PHE 29 1HB PHE 29 -2.636 -2.628 -3.411 208 2HB PHE 29 2HB PHE 29 -3.369 -2.660 -1.816 209 HD1 PHE 29 HD1 PHE 29 -2.070 -3.119 0.206 210 HD2 PHE 29 HD2 PHE 29 -0.212 -2.718 -3.657 211 HE1 PHE 29 HE1 PHE 29 0.098 -2.564 1.310 212 HE2 PHE 29 HE2 PHE 29 1.950 -2.165 -2.546 213 HZ PHE 29 HZ PHE 29 2.099 -2.079 -0.073 214 H LYS 30 H LYS 30 -4.929 -6.170 -1.904 215 HA LYS 30 HA LYS 30 -6.716 -5.539 -4.194 216 1HB LYS 30 1HB LYS 30 -5.967 -7.858 -3.782 217 2HB LYS 30 2HB LYS 30 -6.770 -7.813 -2.210 218 1HG LYS 30 1HG LYS 30 -8.964 -7.598 -3.248 219 2HG LYS 30 2HG LYS 30 -8.226 -7.247 -4.815 220 1HD LYS 30 1HD LYS 30 -9.084 -9.509 -4.810 221 2HD LYS 30 2HD LYS 30 -7.323 -9.530 -4.962 222 1HE LYS 30 1HE LYS 30 -7.098 -10.102 -2.561 223 2HE LYS 30 2HE LYS 30 -8.858 -9.989 -2.357 224 1HZ LYS 30 1HZ LYS 30 -9.078 -11.800 -3.899 225 2HZ LYS 30 2HZ LYS 30 -7.444 -11.893 -4.087 226 3HZ LYS 30 3HZ LYS 30 -8.125 -12.232 -2.627 227 H ASN 31 H ASN 31 -8.614 -4.502 -3.977 228 HA ASN 31 HA ASN 31 -9.485 -3.297 -1.512 229 1HB ASN 31 1HB ASN 31 -10.596 -3.550 -4.305 230 2HB ASN 31 2HB ASN 31 -11.671 -3.112 -2.975 231 1HD2 ASN 31 1HD2 ASN 31 -10.888 0.197 -3.886 232 2HD2 ASN 31 2HD2 ASN 31 -11.970 -1.175 -4.182 233 H ASN 32 H ASN 32 -10.101 -4.482 0.193 234 HA ASN 32 HA ASN 32 -11.612 -6.988 -0.188 235 1HB ASN 32 1HB ASN 32 -9.780 -6.819 1.416 236 2HB ASN 32 2HB ASN 32 -10.621 -5.559 2.308 237 1HD2 ASN 32 1HD2 ASN 32 -12.895 -7.806 3.893 238 2HD2 ASN 32 2HD2 ASN 32 -12.583 -6.120 3.536 239 H ALA 33 H ALA 33 -11.996 -4.088 1.816 240 HA ALA 33 HA ALA 33 -14.758 -3.583 1.084 241 1HB ALA 33 1HB ALA 33 -15.709 -4.019 3.324 242 2HB ALA 33 2HB ALA 33 -15.065 -5.524 2.652 243 3HB ALA 33 3HB ALA 33 -14.152 -4.644 3.894 244 H GLY 34 H GLY 34 -15.537 -1.716 2.684 245 1HA GLY 34 1HA GLY 34 -15.144 0.351 3.598 246 2HA GLY 34 2HA GLY 34 -13.588 -0.258 4.177 247 H PHE 35 H PHE 35 -14.213 -0.425 0.748 248 HA PHE 35 HA PHE 35 -12.066 1.402 0.046 249 1HB PHE 35 1HB PHE 35 -12.635 0.674 -2.253 250 2HB PHE 35 2HB PHE 35 -12.391 -0.599 -1.126 251 HD1 PHE 35 HD1 PHE 35 -15.100 1.430 -2.725 252 HD2 PHE 35 HD2 PHE 35 -13.907 -2.322 -0.957 253 HE1 PHE 35 HE1 PHE 35 -17.355 0.484 -3.194 254 HE2 PHE 35 HE2 PHE 35 -16.206 -3.220 -1.313 255 HZ PHE 35 HZ PHE 35 -17.927 -1.814 -2.392 256 HA PRO 36 HA PRO 36 -12.392 2.625 -2.464 257 1HB PRO 36 1HB PRO 36 -11.536 5.073 -3.089 258 2HB PRO 36 2HB PRO 36 -13.143 4.494 -3.542 259 1HG PRO 36 1HG PRO 36 -12.491 6.142 -1.084 260 2HG PRO 36 2HG PRO 36 -13.735 6.483 -2.329 261 1HD PRO 36 1HD PRO 36 -14.385 5.160 -0.045 262 2HD PRO 36 2HD PRO 36 -15.080 4.639 -1.605 263 H HIS 37 H HIS 37 -10.126 2.663 -2.835 264 HA HIS 37 HA HIS 37 -8.436 3.637 -0.645 265 1HB HIS 37 1HB HIS 37 -8.431 0.737 -1.545 266 2HB HIS 37 2HB HIS 37 -7.367 1.417 -0.325 267 HD2 HIS 37 HD2 HIS 37 -10.084 -0.878 -0.503 268 HE1 HIS 37 HE1 HIS 37 -10.494 0.816 3.354 269 HE2 HIS 37 HE2 HIS 37 -11.024 -1.192 1.887 270 H ASN 38 H ASN 38 -6.122 3.312 -1.036 271 HA ASN 38 HA ASN 38 -5.123 2.643 -3.606 272 1HB ASN 38 1HB ASN 38 -4.281 4.841 -4.244 273 2HB ASN 38 2HB ASN 38 -6.026 4.884 -4.140 274 1HD2 ASN 38 1HD2 ASN 38 -5.188 7.999 -2.572 275 2HD2 ASN 38 2HD2 ASN 38 -5.478 7.293 -4.175 276 H VAL 39 H VAL 39 -2.599 3.439 -3.386 277 HA VAL 39 HA VAL 39 -1.767 3.151 -0.545 278 HB VAL 39 HB VAL 39 -0.625 1.518 -2.846 279 1HG1 VAL 39 1HG1 VAL 39 0.583 0.363 -1.035 280 2HG1 VAL 39 2HG1 VAL 39 0.994 2.078 -1.044 281 3HG1 VAL 39 3HG1 VAL 39 -0.143 1.447 0.167 282 1HG2 VAL 39 1HG2 VAL 39 -1.632 -0.400 -1.480 283 2HG2 VAL 39 2HG2 VAL 39 -2.619 0.814 -0.662 284 3HG2 VAL 39 3HG2 VAL 39 -2.781 0.563 -2.413 285 H VAL 40 H VAL 40 -0.728 4.991 -0.185 286 HA VAL 40 HA VAL 40 1.099 6.106 -2.249 287 HB VAL 40 HB VAL 40 -0.472 7.484 -0.039 288 1HG1 VAL 40 1HG1 VAL 40 1.434 8.626 -2.138 289 2HG1 VAL 40 2HG1 VAL 40 0.414 9.587 -1.050 290 3HG1 VAL 40 3HG1 VAL 40 1.713 8.591 -0.386 291 1HG2 VAL 40 1HG2 VAL 40 -1.617 8.628 -1.914 292 2HG2 VAL 40 2HG2 VAL 40 -0.752 7.603 -3.075 293 3HG2 VAL 40 3HG2 VAL 40 -1.920 6.887 -1.941 294 H PHE 41 H PHE 41 3.196 6.173 -1.675 295 HA PHE 41 HA PHE 41 3.965 5.043 0.929 296 1HB PHE 41 1HB PHE 41 5.431 5.655 -1.628 297 2HB PHE 41 2HB PHE 41 6.268 5.248 -0.147 298 HD1 PHE 41 HD1 PHE 41 3.919 3.900 -2.678 299 HD2 PHE 41 HD2 PHE 41 6.156 3.069 0.880 300 HE1 PHE 41 HE1 PHE 41 3.461 1.471 -2.965 301 HE2 PHE 41 HE2 PHE 41 5.936 0.621 0.452 302 HZ PHE 41 HZ PHE 41 4.515 -0.174 -1.428 303 H ASP 42 H ASP 42 4.918 6.124 2.554 304 HA ASP 42 HA ASP 42 4.679 9.013 2.641 305 1HB ASP 42 1HB ASP 42 4.270 7.635 4.622 306 2HB ASP 42 2HB ASP 42 5.907 6.963 4.518 307 H GLU 43 H GLU 43 6.063 10.099 1.318 308 HA GLU 43 HA GLU 43 8.573 9.390 0.440 309 1HB GLU 43 1HB GLU 43 8.947 11.904 0.172 310 2HB GLU 43 2HB GLU 43 7.615 11.128 -0.680 311 1HG GLU 43 1HG GLU 43 6.937 13.292 0.177 312 2HG GLU 43 2HG GLU 43 5.968 12.026 0.915 313 H ASP 44 H ASP 44 7.836 10.731 3.635 314 HA ASP 44 HA ASP 44 10.612 11.332 4.248 315 1HB ASP 44 1HB ASP 44 8.733 12.565 5.248 316 2HB ASP 44 2HB ASP 44 8.152 11.080 6.023 317 H GLU 45 H GLU 45 8.767 8.384 4.239 318 HA GLU 45 HA GLU 45 10.884 7.006 5.820 319 1HB GLU 45 1HB GLU 45 7.884 6.676 6.105 320 2HB GLU 45 2HB GLU 45 9.095 5.644 6.878 321 1HG GLU 45 1HG GLU 45 8.680 8.634 7.385 322 2HG GLU 45 2HG GLU 45 8.181 7.314 8.438 323 H ILE 46 H ILE 46 11.485 6.886 3.460 324 HA ILE 46 HA ILE 46 11.043 4.157 2.610 325 HB ILE 46 HB ILE 46 10.769 4.879 0.208 326 1HG1 ILE 46 1HG1 ILE 46 9.943 7.573 1.330 327 2HG1 ILE 46 2HG1 ILE 46 11.461 7.251 0.481 328 1HG2 ILE 46 1HG2 ILE 46 8.882 4.008 1.622 329 2HG2 ILE 46 2HG2 ILE 46 8.350 5.683 1.841 330 3HG2 ILE 46 3HG2 ILE 46 8.428 4.964 0.221 331 1HD1 ILE 46 1HD1 ILE 46 8.670 7.058 -0.695 332 2HD1 ILE 46 2HD1 ILE 46 9.973 8.182 -1.121 333 3HD1 ILE 46 3HD1 ILE 46 10.137 6.463 -1.511 334 HA PRO 47 HA PRO 47 15.364 4.805 2.033 335 1HB PRO 47 1HB PRO 47 15.996 3.300 -0.232 336 2HB PRO 47 2HB PRO 47 15.791 2.702 1.435 337 1HG PRO 47 1HG PRO 47 13.799 2.683 -0.829 338 2HG PRO 47 2HG PRO 47 14.126 1.395 0.374 339 1HD PRO 47 1HD PRO 47 11.994 3.084 0.578 340 2HD PRO 47 2HD PRO 47 12.854 2.488 2.018 341 H ALA 48 H ALA 48 15.967 6.742 1.521 342 HA ALA 48 HA ALA 48 14.997 8.485 -0.398 343 1HB ALA 48 1HB ALA 48 17.767 8.438 0.863 344 2HB ALA 48 2HB ALA 48 17.019 9.823 0.039 345 3HB ALA 48 3HB ALA 48 16.305 9.194 1.537 346 H GLY 49 H GLY 49 14.920 8.114 -2.513 347 1HA GLY 49 1HA GLY 49 16.670 8.345 -4.458 348 2HA GLY 49 2HA GLY 49 17.096 6.694 -3.954 349 H VAL 50 H VAL 50 14.424 5.877 -3.114 350 HA VAL 50 HA VAL 50 13.427 5.160 -5.763 351 HB VAL 50 HB VAL 50 12.272 4.542 -3.016 352 1HG1 VAL 50 1HG1 VAL 50 11.159 2.683 -4.289 353 2HG1 VAL 50 2HG1 VAL 50 10.612 4.280 -4.821 354 3HG1 VAL 50 3HG1 VAL 50 11.780 3.366 -5.798 355 1HG2 VAL 50 1HG2 VAL 50 14.151 2.957 -4.826 356 2HG2 VAL 50 2HG2 VAL 50 14.551 3.625 -3.228 357 3HG2 VAL 50 3HG2 VAL 50 13.356 2.333 -3.368 358 H ASP 51 H ASP 51 12.229 6.571 -6.918 359 HA ASP 51 HA ASP 51 11.006 8.897 -5.884 360 1HB ASP 51 1HB ASP 51 11.624 8.713 -8.224 361 2HB ASP 51 2HB ASP 51 10.496 7.364 -8.454 362 H ALA 52 H ALA 52 9.404 8.907 -4.466 363 HA ALA 52 HA ALA 52 7.651 6.944 -3.686 364 1HB ALA 52 1HB ALA 52 7.979 9.044 -2.470 365 2HB ALA 52 2HB ALA 52 7.092 9.928 -3.734 366 3HB ALA 52 3HB ALA 52 6.260 8.708 -2.744 367 H VAL 53 H VAL 53 7.212 9.300 -6.348 368 HA VAL 53 HA VAL 53 4.501 8.714 -6.914 369 HB VAL 53 HB VAL 53 6.670 9.718 -8.799 370 1HG1 VAL 53 1HG1 VAL 53 4.720 9.022 -10.093 371 2HG1 VAL 53 2HG1 VAL 53 3.632 9.868 -8.970 372 3HG1 VAL 53 3HG1 VAL 53 4.752 10.782 -10.000 373 1HG2 VAL 53 1HG2 VAL 53 4.699 11.217 -7.011 374 2HG2 VAL 53 2HG2 VAL 53 6.462 11.174 -6.799 375 3HG2 VAL 53 3HG2 VAL 53 5.769 11.965 -8.214 376 H LYS 54 H LYS 54 7.438 6.880 -7.770 377 HA LYS 54 HA LYS 54 6.027 5.376 -9.869 378 1HB LYS 54 1HB LYS 54 8.734 4.959 -8.544 379 2HB LYS 54 2HB LYS 54 8.061 3.956 -9.839 380 1HG LYS 54 1HG LYS 54 7.850 5.969 -11.293 381 2HG LYS 54 2HG LYS 54 8.612 6.943 -10.028 382 1HD LYS 54 1HD LYS 54 10.654 5.488 -10.172 383 2HD LYS 54 2HD LYS 54 9.853 4.519 -11.418 384 1HE LYS 54 1HE LYS 54 11.353 6.057 -12.517 385 2HE LYS 54 2HE LYS 54 9.694 6.563 -12.872 386 1HZ LYS 54 1HZ LYS 54 11.075 8.405 -12.293 387 2HZ LYS 54 2HZ LYS 54 9.931 8.221 -11.122 388 3HZ LYS 54 3HZ LYS 54 11.477 7.732 -10.845 389 H ILE 55 H ILE 55 6.939 4.870 -6.475 390 HA ILE 55 HA ILE 55 5.881 2.143 -6.401 391 HB ILE 55 HB ILE 55 6.234 2.254 -4.027 392 1HG1 ILE 55 1HG1 ILE 55 7.587 4.930 -4.646 393 2HG1 ILE 55 2HG1 ILE 55 6.092 4.720 -3.699 394 1HG2 ILE 55 1HG2 ILE 55 8.605 1.968 -4.240 395 2HG2 ILE 55 2HG2 ILE 55 7.842 1.353 -5.702 396 3HG2 ILE 55 3HG2 ILE 55 8.648 2.940 -5.732 397 1HD1 ILE 55 1HD1 ILE 55 7.457 3.082 -2.292 398 2HD1 ILE 55 2HD1 ILE 55 8.893 3.789 -3.067 399 3HD1 ILE 55 3HD1 ILE 55 7.830 4.826 -2.097 400 H SER 56 H SER 56 4.651 5.364 -5.627 401 HA SER 56 HA SER 56 2.309 4.394 -4.202 402 1HB SER 56 1HB SER 56 3.034 7.127 -5.286 403 2HB SER 56 2HB SER 56 1.711 6.795 -4.183 404 HG SER 56 HG SER 56 4.503 6.556 -3.788 405 H MET 57 H MET 57 0.257 4.157 -4.904 406 HA MET 57 HA MET 57 -0.426 4.299 -7.720 407 1HB MET 57 1HB MET 57 -1.579 2.796 -6.086 408 2HB MET 57 2HB MET 57 -2.120 4.210 -5.176 409 1HG MET 57 1HG MET 57 -3.928 3.358 -6.532 410 2HG MET 57 2HG MET 57 -3.466 4.956 -7.120 411 1HE MET 57 1HE MET 57 -5.364 2.935 -8.651 412 2HE MET 57 2HE MET 57 -4.900 4.534 -9.282 413 3HE MET 57 3HE MET 57 -4.741 3.097 -10.314 414 HA PRO 58 HA PRO 58 -0.393 8.830 -7.527 415 1HB PRO 58 1HB PRO 58 -2.698 8.494 -9.472 416 2HB PRO 58 2HB PRO 58 -1.389 9.715 -9.511 417 1HG PRO 58 1HG PRO 58 -1.171 7.501 -11.050 418 2HG PRO 58 2HG PRO 58 0.238 8.021 -10.076 419 1HD PRO 58 1HD PRO 58 -1.742 5.822 -9.471 420 2HD PRO 58 2HD PRO 58 0.039 5.835 -9.281 421 H GLU 59 H GLU 59 -1.198 9.886 -5.799 422 HA GLU 59 HA GLU 59 -3.262 9.086 -4.174 423 1HB GLU 59 1HB GLU 59 -3.221 11.479 -3.298 424 2HB GLU 59 2HB GLU 59 -1.724 10.556 -3.217 425 1HG GLU 59 1HG GLU 59 -2.145 12.350 -5.619 426 2HG GLU 59 2HG GLU 59 -1.776 13.070 -4.055 427 H GLU 60 H GLU 60 -3.565 11.188 -6.966 428 HA GLU 60 HA GLU 60 -6.165 12.189 -6.492 429 1HB GLU 60 1HB GLU 60 -4.551 13.098 -8.138 430 2HB GLU 60 2HB GLU 60 -4.631 11.595 -9.069 431 1HG GLU 60 1HG GLU 60 -5.935 13.364 -10.120 432 2HG GLU 60 2HG GLU 60 -6.963 12.011 -9.642 433 H GLU 61 H GLU 61 -5.002 9.115 -7.804 434 HA GLU 61 HA GLU 61 -7.675 8.254 -8.641 435 1HB GLU 61 1HB GLU 61 -4.936 6.928 -8.768 436 2HB GLU 61 2HB GLU 61 -6.434 6.323 -9.486 437 1HG GLU 61 1HG GLU 61 -6.586 8.371 -10.901 438 2HG GLU 61 2HG GLU 61 -5.035 8.923 -10.253 439 H LEU 62 H LEU 62 -8.583 6.297 -7.887 440 HA LEU 62 HA LEU 62 -7.541 4.945 -5.589 441 1HB LEU 62 1HB LEU 62 -9.193 5.437 -4.015 442 2HB LEU 62 2HB LEU 62 -8.306 6.886 -4.458 443 HG LEU 62 HG LEU 62 -11.174 6.159 -5.182 444 1HD1 LEU 62 1HD1 LEU 62 -9.849 8.473 -3.712 445 2HD1 LEU 62 2HD1 LEU 62 -11.601 8.137 -3.780 446 3HD1 LEU 62 3HD1 LEU 62 -10.495 7.037 -2.917 447 1HD2 LEU 62 1HD2 LEU 62 -10.398 7.311 -7.180 448 2HD2 LEU 62 2HD2 LEU 62 -11.306 8.457 -6.202 449 3HD2 LEU 62 3HD2 LEU 62 -9.536 8.529 -6.202 450 H LEU 63 H LEU 63 -8.398 2.965 -5.350 451 HA LEU 63 HA LEU 63 -10.073 1.845 -7.460 452 1HB LEU 63 1HB LEU 63 -9.024 0.667 -4.857 453 2HB LEU 63 2HB LEU 63 -9.696 -0.226 -6.229 454 HG LEU 63 HG LEU 63 -7.074 1.346 -6.149 455 1HD1 LEU 63 1HD1 LEU 63 -7.062 -0.723 -4.832 456 2HD1 LEU 63 2HD1 LEU 63 -7.725 -1.626 -6.209 457 3HD1 LEU 63 3HD1 LEU 63 -6.095 -0.937 -6.302 458 1HD2 LEU 63 1HD2 LEU 63 -7.970 1.395 -8.448 459 2HD2 LEU 63 2HD2 LEU 63 -6.602 0.272 -8.336 460 3HD2 LEU 63 3HD2 LEU 63 -8.251 -0.361 -8.388 461 H ASN 64 H ASN 64 -12.293 2.247 -7.283 462 HA ASN 64 HA ASN 64 -13.522 2.414 -4.564 463 1HB ASN 64 1HB ASN 64 -13.449 4.555 -5.907 464 2HB ASN 64 2HB ASN 64 -14.459 3.758 -7.120 465 1HD2 ASN 64 1HD2 ASN 64 -17.142 5.245 -5.278 466 2HD2 ASN 64 2HD2 ASN 64 -16.169 5.347 -6.733 467 H ALA 65 H ALA 65 -13.199 -0.096 -5.580 468 HA ALA 65 HA ALA 65 -15.946 -1.012 -5.634 469 1HB ALA 65 1HB ALA 65 -15.587 -2.340 -7.789 470 2HB ALA 65 2HB ALA 65 -15.710 -0.590 -8.027 471 3HB ALA 65 3HB ALA 65 -14.128 -1.380 -8.062 472 HA PRO 66 HA PRO 66 -13.666 -4.205 -3.523 473 1HB PRO 66 1HB PRO 66 -15.216 -6.431 -3.748 474 2HB PRO 66 2HB PRO 66 -15.737 -5.007 -2.810 475 1HG PRO 66 1HG PRO 66 -16.470 -5.704 -5.669 476 2HG PRO 66 2HG PRO 66 -17.578 -5.249 -4.341 477 1HD PRO 66 1HD PRO 66 -16.699 -3.448 -6.186 478 2HD PRO 66 2HD PRO 66 -16.925 -2.969 -4.486 479 H GLY 67 H GLY 67 -12.398 -6.217 -3.928 480 1HA GLY 67 1HA GLY 67 -11.372 -7.816 -5.222 481 2HA GLY 67 2HA GLY 67 -12.465 -7.463 -6.560 482 H GLU 68 H GLU 68 -11.741 -4.612 -6.768 483 HA GLU 68 HA GLU 68 -9.744 -4.640 -8.671 484 1HB GLU 68 1HB GLU 68 -10.337 -2.413 -6.674 485 2HB GLU 68 2HB GLU 68 -9.500 -2.218 -8.224 486 1HG GLU 68 1HG GLU 68 -12.415 -3.040 -7.839 487 2HG GLU 68 2HG GLU 68 -11.809 -1.481 -8.409 488 H THR 69 H THR 69 -7.508 -4.641 -8.746 489 HA THR 69 HA THR 69 -6.031 -4.768 -6.157 490 HB THR 69 HB THR 69 -4.443 -6.167 -7.586 491 HG1 THR 69 HG1 THR 69 -5.404 -5.381 -9.566 492 1HG2 THR 69 1HG2 THR 69 -6.007 -7.211 -6.001 493 2HG2 THR 69 2HG2 THR 69 -7.239 -7.308 -7.284 494 3HG2 THR 69 3HG2 THR 69 -5.727 -8.220 -7.437 495 OH TYR 70 OH TYR 70 1.825 1.739 -7.263 496 H TYR 70 H TYR 70 -4.402 -3.371 -5.853 497 HA TYR 70 HA TYR 70 -3.215 -1.929 -8.203 498 1HB TYR 70 1HB TYR 70 -3.874 -0.409 -6.389 499 2HB TYR 70 2HB TYR 70 -3.048 -1.407 -5.205 500 HD1 TYR 70 HD1 TYR 70 -2.237 0.191 -8.534 501 HD2 TYR 70 HD2 TYR 70 -0.990 -0.494 -4.461 502 HE1 TYR 70 HE1 TYR 70 -0.086 1.326 -8.995 503 HE2 TYR 70 HE2 TYR 70 1.140 0.685 -4.921 504 HH TYR 70 HH TYR 70 2.418 1.814 -6.506 505 H VAL 71 H VAL 71 -0.967 -2.391 -8.658 506 HA VAL 71 HA VAL 71 0.272 -4.508 -6.960 507 HB VAL 71 HB VAL 71 0.307 -4.427 -10.000 508 1HG1 VAL 71 1HG1 VAL 71 2.288 -5.521 -9.046 509 2HG1 VAL 71 2HG1 VAL 71 1.266 -6.479 -7.955 510 3HG1 VAL 71 3HG1 VAL 71 1.209 -6.750 -9.709 511 1HG2 VAL 71 1HG2 VAL 71 -1.134 -6.479 -9.842 512 2HG2 VAL 71 2HG2 VAL 71 -1.347 -6.155 -8.110 513 3HG2 VAL 71 3HG2 VAL 71 -1.969 -5.016 -9.322 514 H VAL 72 H VAL 72 2.479 -4.405 -6.720 515 HA VAL 72 HA VAL 72 4.109 -2.470 -8.185 516 HB VAL 72 HB VAL 72 2.997 -1.102 -6.425 517 1HG1 VAL 72 1HG1 VAL 72 4.524 -2.820 -4.438 518 2HG1 VAL 72 2HG1 VAL 72 3.562 -1.376 -4.079 519 3HG1 VAL 72 3HG1 VAL 72 2.758 -2.843 -4.678 520 1HG2 VAL 72 1HG2 VAL 72 4.919 0.041 -5.624 521 2HG2 VAL 72 2HG2 VAL 72 5.970 -1.354 -5.853 522 3HG2 VAL 72 3HG2 VAL 72 5.275 -0.519 -7.266 523 H THR 73 H THR 73 6.417 -2.700 -7.356 524 HA THR 73 HA THR 73 7.043 -5.295 -6.106 525 HB THR 73 HB THR 73 7.912 -4.548 -8.943 526 HG1 THR 73 HG1 THR 73 5.779 -5.919 -7.951 527 1HG2 THR 73 1HG2 THR 73 9.658 -5.833 -7.726 528 2HG2 THR 73 2HG2 THR 73 8.438 -7.059 -7.308 529 3HG2 THR 73 3HG2 THR 73 8.902 -6.807 -8.998 530 H LEU 74 H LEU 74 8.909 -5.045 -4.895 531 HA LEU 74 HA LEU 74 10.423 -2.471 -5.225 532 1HB LEU 74 1HB LEU 74 9.796 -3.941 -2.665 533 2HB LEU 74 2HB LEU 74 10.699 -2.426 -2.863 534 HG LEU 74 HG LEU 74 7.739 -2.799 -3.500 535 1HD1 LEU 74 1HD1 LEU 74 7.370 -1.456 -1.473 536 2HD1 LEU 74 2HD1 LEU 74 8.262 -2.936 -1.075 537 3HD1 LEU 74 3HD1 LEU 74 9.121 -1.387 -1.180 538 1HD2 LEU 74 1HD2 LEU 74 8.708 -1.001 -4.880 539 2HD2 LEU 74 2HD2 LEU 74 7.728 -0.306 -3.585 540 3HD2 LEU 74 3HD2 LEU 74 9.500 -0.305 -3.452 541 H ASP 75 H ASP 75 12.336 -2.941 -6.052 542 HA ASP 75 HA ASP 75 13.763 -5.465 -5.399 543 1HB ASP 75 1HB ASP 75 14.270 -3.244 -7.423 544 2HB ASP 75 2HB ASP 75 15.341 -4.623 -7.148 545 H THR 76 H THR 76 14.075 -1.913 -5.046 546 HA THR 76 HA THR 76 16.692 -1.972 -3.950 547 HB THR 76 HB THR 76 14.544 0.159 -3.590 548 HG1 THR 76 HG1 THR 76 15.295 0.916 -5.610 549 1HG2 THR 76 1HG2 THR 76 17.581 0.329 -3.861 550 2HG2 THR 76 2HG2 THR 76 16.472 1.706 -3.686 551 3HG2 THR 76 3HG2 THR 76 16.661 0.553 -2.354 552 H LYS 77 H LYS 77 17.281 -2.584 -1.982 553 HA LYS 77 HA LYS 77 15.567 -3.570 0.030 554 1HB LYS 77 1HB LYS 77 18.270 -2.486 0.786 555 2HB LYS 77 2HB LYS 77 17.471 -3.971 1.303 556 1HG LYS 77 1HG LYS 77 18.866 -3.404 -1.331 557 2HG LYS 77 2HG LYS 77 19.440 -4.438 -0.042 558 1HD LYS 77 1HD LYS 77 17.753 -6.081 -0.393 559 2HD LYS 77 2HD LYS 77 16.829 -5.066 -1.502 560 1HE LYS 77 1HE LYS 77 19.666 -6.022 -2.083 561 2HE LYS 77 2HE LYS 77 18.199 -6.842 -2.632 562 1HZ LYS 77 1HZ LYS 77 17.553 -4.840 -3.765 563 2HZ LYS 77 2HZ LYS 77 18.961 -4.096 -3.327 564 3HZ LYS 77 3HZ LYS 77 19.000 -5.412 -4.313 565 H GLY 78 H GLY 78 15.324 -2.814 2.224 566 1HA GLY 78 1HA GLY 78 15.798 -0.760 3.688 567 2HA GLY 78 2HA GLY 78 14.971 0.162 2.423 568 H THR 79 H THR 79 13.677 0.737 4.349 569 HA THR 79 HA THR 79 11.411 -1.133 4.808 570 HB THR 79 HB THR 79 12.500 0.998 6.699 571 HG1 THR 79 HG1 THR 79 13.303 -0.822 7.847 572 1HG2 THR 79 1HG2 THR 79 10.095 0.436 6.989 573 2HG2 THR 79 2HG2 THR 79 10.506 -1.291 7.082 574 3HG2 THR 79 3HG2 THR 79 11.058 -0.174 8.348 575 OH TYR 80 OH TYR 80 12.469 0.258 -2.080 576 H TYR 80 H TYR 80 9.487 -0.277 4.155 577 HA TYR 80 HA TYR 80 9.398 2.596 3.326 578 1HB TYR 80 1HB TYR 80 8.164 0.113 2.084 579 2HB TYR 80 2HB TYR 80 7.843 1.761 1.583 580 HD1 TYR 80 HD1 TYR 80 10.776 -0.606 2.021 581 HD2 TYR 80 HD2 TYR 80 8.858 2.418 -0.389 582 HE1 TYR 80 HE1 TYR 80 12.525 -0.857 0.314 583 HE2 TYR 80 HE2 TYR 80 10.499 1.998 -2.184 584 HH TYR 80 HH TYR 80 13.087 -0.446 -1.849 585 H SER 81 H SER 81 7.683 3.733 4.115 586 HA SER 81 HA SER 81 5.489 2.241 5.520 587 1HB SER 81 1HB SER 81 6.325 5.124 5.849 588 2HB SER 81 2HB SER 81 5.126 4.236 6.804 589 HG SER 81 HG SER 81 7.895 3.603 6.590 590 H PHE 82 H PHE 82 3.320 2.691 4.906 591 HA PHE 82 HA PHE 82 2.873 4.686 2.800 592 1HB PHE 82 1HB PHE 82 1.733 3.027 1.338 593 2HB PHE 82 2HB PHE 82 3.417 2.721 1.505 594 HD1 PHE 82 HD2 PHE 82 0.088 1.712 2.935 595 HD2 PHE 82 HD1 PHE 82 4.149 0.436 2.116 596 HE1 PHE 82 HE2 PHE 82 -0.346 -0.447 4.013 597 HE2 PHE 82 HE1 PHE 82 3.611 -1.767 3.037 598 HZ PHE 82 HZ PHE 82 1.410 -2.196 4.097 599 OH TYR 83 OH TYR 83 1.074 10.661 1.716 600 H TYR 83 H TYR 83 0.536 4.725 2.189 601 HA TYR 83 HA TYR 83 -1.351 3.988 4.284 602 1HB TYR 83 1HB TYR 83 -1.970 6.341 4.811 603 2HB TYR 83 2HB TYR 83 -0.337 5.937 5.319 604 HD1 TYR 83 HD2 TYR 83 -2.269 7.729 2.646 605 HD2 TYR 83 HD1 TYR 83 1.565 7.133 4.532 606 HE1 TYR 83 HE2 TYR 83 -1.384 9.700 1.461 607 HE2 TYR 83 HE1 TYR 83 2.437 9.136 3.363 608 HH TYR 83 HH TYR 83 0.443 11.069 1.120 609 H CYS 84 H CYS 84 -3.540 4.847 3.852 610 HA CYS 84 HA CYS 84 -4.139 4.903 0.901 611 1HB CYS 84 1HB CYS 84 -5.240 3.078 2.096 612 2HB CYS 84 2HB CYS 84 -5.688 4.184 3.407 613 H SER 85 H SER 85 -4.286 7.037 0.169 614 HA SER 85 HA SER 85 -4.221 9.159 1.768 615 1HB SER 85 1HB SER 85 -5.784 9.775 -0.673 616 2HB SER 85 2HB SER 85 -4.282 10.438 -0.039 617 HG SER 85 HG SER 85 -3.681 9.278 -1.785 618 HA PRO 86 HA PRO 86 -8.869 10.127 1.965 619 1HB PRO 86 1HB PRO 86 -10.770 8.235 1.384 620 2HB PRO 86 2HB PRO 86 -10.037 9.315 0.167 621 1HG PRO 86 1HG PRO 86 -9.188 6.493 0.860 622 2HG PRO 86 2HG PRO 86 -9.565 7.144 -0.761 623 1HD PRO 86 1HD PRO 86 -7.013 7.027 0.046 624 2HD PRO 86 2HD PRO 86 -7.608 8.486 -0.779 625 H HIS 87 H HIS 87 -7.263 7.419 3.362 626 HA HIS 87 HA HIS 87 -9.052 7.639 5.749 627 1HB HIS 87 1HB HIS 87 -8.013 5.076 4.554 628 2HB HIS 87 2HB HIS 87 -8.925 5.215 6.061 629 HD2 HIS 87 HD2 HIS 87 -11.436 6.805 5.408 630 HE1 HIS 87 HE1 HIS 87 -12.096 4.174 2.137 631 HE2 HIS 87 HE2 HIS 87 -13.175 5.861 3.697 632 H GLN 88 H GLN 88 -5.944 8.197 4.674 633 HA GLN 88 HA GLN 88 -4.365 6.893 6.576 634 1HB GLN 88 1HB GLN 88 -2.710 8.525 6.109 635 2HB GLN 88 2HB GLN 88 -3.558 8.131 4.616 636 1HG GLN 88 1HG GLN 88 -4.887 10.267 4.878 637 2HG GLN 88 2HG GLN 88 -3.859 10.680 6.259 638 1HE2 GLN 88 1HE2 GLN 88 -0.912 11.214 4.230 639 2HE2 GLN 88 2HE2 GLN 88 -1.389 10.564 5.785 640 H GLY 89 H GLY 89 -6.184 9.942 6.821 641 1HA GLY 89 1HA GLY 89 -5.423 10.732 9.431 642 2HA GLY 89 2HA GLY 89 -6.947 11.140 8.620 643 H ALA 90 H ALA 90 -7.669 8.216 8.317 644 HA ALA 90 HA ALA 90 -8.831 7.829 11.002 645 1HB ALA 90 1HB ALA 90 -10.265 6.219 9.883 646 2HB ALA 90 2HB ALA 90 -10.268 7.746 8.981 647 3HB ALA 90 3HB ALA 90 -9.329 6.358 8.383 648 H GLY 91 H GLY 91 -5.854 7.155 9.865 649 1HA GLY 91 1HA GLY 91 -4.312 5.796 10.852 650 2HA GLY 91 2HA GLY 91 -5.571 4.806 11.592 651 H MET 92 H MET 92 -6.089 5.252 8.143 652 HA MET 92 HA MET 92 -5.370 2.439 7.796 653 1HB MET 92 1HB MET 92 -7.386 3.430 6.733 654 2HB MET 92 2HB MET 92 -6.308 4.335 5.644 655 1HG MET 92 1HG MET 92 -5.417 2.288 4.716 656 2HG MET 92 2HG MET 92 -6.072 1.328 6.034 657 1HE MET 92 1HE MET 92 -7.741 -0.429 3.188 658 2HE MET 92 2HE MET 92 -6.723 -0.527 4.638 659 3HE MET 92 3HE MET 92 -6.112 0.281 3.178 660 H VAL 93 H VAL 93 -3.200 2.735 8.422 661 HA VAL 93 HA VAL 93 -1.355 3.537 6.232 662 HB VAL 93 HB VAL 93 0.245 4.274 7.810 663 1HG1 VAL 93 1HG1 VAL 93 -2.407 5.481 8.709 664 2HG1 VAL 93 2HG1 VAL 93 -0.805 6.238 8.702 665 3HG1 VAL 93 3HG1 VAL 93 -1.619 5.869 7.172 666 1HG2 VAL 93 1HG2 VAL 93 -1.728 3.427 9.964 667 2HG2 VAL 93 2HG2 VAL 93 -0.147 2.685 9.625 668 3HG2 VAL 93 3HG2 VAL 93 -0.230 4.345 10.241 669 H GLY 94 H GLY 94 0.817 2.360 6.449 670 1HA GLY 94 1HA GLY 94 0.909 -0.110 7.892 671 2HA GLY 94 2HA GLY 94 0.486 -0.410 6.202 672 H LYS 95 H LYS 95 2.750 -1.544 6.707 673 HA LYS 95 HA LYS 95 4.870 0.169 5.590 674 1HB LYS 95 1HB LYS 95 5.180 -1.496 8.125 675 2HB LYS 95 2HB LYS 95 6.484 -0.619 7.311 676 1HG LYS 95 1HG LYS 95 5.340 1.531 7.781 677 2HG LYS 95 2HG LYS 95 4.077 0.676 8.677 678 1HD LYS 95 1HD LYS 95 7.043 0.660 9.388 679 2HD LYS 95 2HD LYS 95 5.806 1.677 10.134 680 1HE LYS 95 1HE LYS 95 4.568 -0.408 10.842 681 2HE LYS 95 2HE LYS 95 5.933 -1.372 10.244 682 1HZ LYS 95 1HZ LYS 95 6.086 -0.967 12.560 683 2HZ LYS 95 2HZ LYS 95 7.340 -0.237 11.781 684 3HZ LYS 95 3HZ LYS 95 6.078 0.665 12.342 685 H VAL 96 H VAL 96 6.751 -1.116 4.877 686 HA VAL 96 HA VAL 96 6.406 -3.995 4.700 687 HB VAL 96 HB VAL 96 5.040 -3.394 2.867 688 1HG1 VAL 96 1HG1 VAL 96 5.726 -2.074 0.956 689 2HG1 VAL 96 2HG1 VAL 96 6.018 -1.081 2.397 690 3HG1 VAL 96 3HG1 VAL 96 7.370 -1.909 1.589 691 1HG2 VAL 96 1HG2 VAL 96 6.067 -4.570 1.093 692 2HG2 VAL 96 2HG2 VAL 96 7.694 -4.301 1.744 693 3HG2 VAL 96 3HG2 VAL 96 6.533 -5.332 2.626 694 H THR 97 H THR 97 8.308 -4.990 4.598 695 HA THR 97 HA THR 97 10.782 -3.312 4.494 696 HB THR 97 HB THR 97 10.760 -6.106 5.593 697 HG1 THR 97 HG1 THR 97 8.921 -5.118 6.552 698 1HG2 THR 97 1HG2 THR 97 12.849 -4.784 5.460 699 2HG2 THR 97 2HG2 THR 97 12.112 -3.525 6.477 700 3HG2 THR 97 3HG2 THR 97 12.388 -5.148 7.135 701 H VAL 98 H VAL 98 12.249 -3.671 2.824 702 HA VAL 98 HA VAL 98 11.671 -5.923 0.958 703 HB VAL 98 HB VAL 98 13.333 -3.409 0.583 704 1HG1 VAL 98 1HG1 VAL 98 12.352 -5.574 -1.340 705 2HG1 VAL 98 2HG1 VAL 98 13.211 -4.105 -1.823 706 3HG1 VAL 98 3HG1 VAL 98 14.046 -5.330 -0.856 707 1HG2 VAL 98 1HG2 VAL 98 10.921 -2.888 0.820 708 2HG2 VAL 98 2HG2 VAL 98 11.461 -2.712 -0.849 709 3HG2 VAL 98 3HG2 VAL 98 10.529 -4.147 -0.366 710 H ASN 99 H ASN 99 12.612 -7.635 1.914 711 HA ASN 99 HA ASN 99 15.149 -7.476 3.360 712 1HB ASN 99 1HB ASN 99 13.393 -9.821 2.517 713 2HB ASN 99 2HB ASN 99 14.884 -9.970 3.457 714 1HD2 ASN 99 1HD2 ASN 99 12.485 -10.028 6.128 715 2HD2 ASN 99 2HD2 ASN 99 13.287 -11.066 4.967 Start of MODEL 4 Raw file had 715 H/Q atoms Start of MODEL 4 1 H LEU 1 H LEU 1 2.212 -8.379 -0.757 2 HA LEU 1 HA LEU 1 2.359 -11.005 -1.443 3 1HB LEU 1 1HB LEU 1 0.823 -10.872 1.175 4 2HB LEU 1 2HB LEU 1 1.352 -12.276 0.258 5 HG LEU 1 HG LEU 1 2.652 -12.372 2.116 6 1HD1 LEU 1 1HD1 LEU 1 4.939 -11.930 1.604 7 2HD1 LEU 1 2HD1 LEU 1 4.137 -12.390 0.088 8 3HD1 LEU 1 3HD1 LEU 1 4.535 -10.687 0.423 9 1HD2 LEU 1 1HD2 LEU 1 1.961 -10.280 3.138 10 2HD2 LEU 1 2HD2 LEU 1 3.713 -10.506 3.285 11 3HD2 LEU 1 3HD2 LEU 1 3.057 -9.370 2.089 12 H GLU 2 H GLU 2 -0.471 -11.629 -0.681 13 HA GLU 2 HA GLU 2 -1.849 -9.666 -2.372 14 1HB GLU 2 1HB GLU 2 -2.251 -12.122 -2.534 15 2HB GLU 2 2HB GLU 2 -3.004 -12.048 -0.922 16 1HG GLU 2 1HG GLU 2 -4.607 -10.322 -1.820 17 2HG GLU 2 2HG GLU 2 -3.874 -10.498 -3.421 18 H VAL 3 H VAL 3 -1.564 -7.863 -1.063 19 HA VAL 3 HA VAL 3 -2.316 -7.863 1.762 20 HB VAL 3 HB VAL 3 -1.632 -5.499 0.000 21 1HG1 VAL 3 1HG1 VAL 3 -1.099 -4.419 2.196 22 2HG1 VAL 3 2HG1 VAL 3 -2.814 -4.847 2.083 23 3HG1 VAL 3 3HG1 VAL 3 -1.703 -5.852 3.035 24 1HG2 VAL 3 1HG2 VAL 3 0.156 -7.192 1.788 25 2HG2 VAL 3 2HG2 VAL 3 0.258 -7.026 0.024 26 3HG2 VAL 3 3HG2 VAL 3 0.600 -5.637 1.053 27 H LEU 4 H LEU 4 -4.434 -7.939 2.333 28 HA LEU 4 HA LEU 4 -6.502 -6.963 0.486 29 1HB LEU 4 1HB LEU 4 -6.765 -8.052 3.301 30 2HB LEU 4 2HB LEU 4 -8.076 -7.726 2.185 31 HG LEU 4 HG LEU 4 -5.886 -9.828 1.903 32 1HD1 LEU 4 1HD1 LEU 4 -7.737 -10.324 3.482 33 2HD1 LEU 4 2HD1 LEU 4 -8.916 -10.041 2.182 34 3HD1 LEU 4 3HD1 LEU 4 -7.773 -11.396 2.068 35 1HD2 LEU 4 1HD2 LEU 4 -6.321 -9.043 -0.359 36 2HD2 LEU 4 2HD2 LEU 4 -7.135 -10.589 -0.133 37 3HD2 LEU 4 3HD2 LEU 4 -8.081 -9.088 -0.086 38 H LEU 5 H LEU 5 -7.210 -4.959 0.406 39 HA LEU 5 HA LEU 5 -6.397 -2.949 2.382 40 1HB LEU 5 1HB LEU 5 -8.069 -2.692 -0.115 41 2HB LEU 5 2HB LEU 5 -7.394 -1.373 0.850 42 HG LEU 5 HG LEU 5 -5.735 -3.422 -0.685 43 1HD1 LEU 5 1HD1 LEU 5 -7.048 -1.866 -2.144 44 2HD1 LEU 5 2HD1 LEU 5 -6.290 -0.494 -1.304 45 3HD1 LEU 5 3HD1 LEU 5 -5.303 -1.610 -2.258 46 1HD2 LEU 5 1HD2 LEU 5 -3.929 -1.688 -0.217 47 2HD2 LEU 5 2HD2 LEU 5 -5.038 -0.943 0.942 48 3HD2 LEU 5 3HD2 LEU 5 -4.476 -2.617 1.187 49 H GLY 6 H GLY 6 -7.537 -3.021 4.267 50 1HA GLY 6 1HA GLY 6 -9.333 -2.521 5.574 51 2HA GLY 6 2HA GLY 6 -10.450 -2.683 4.232 52 H SER 7 H SER 7 -10.013 -4.112 7.133 53 HA SER 7 HA SER 7 -9.719 -6.882 6.361 54 1HB SER 7 1HB SER 7 -10.324 -7.087 8.872 55 2HB SER 7 2HB SER 7 -8.825 -6.240 8.455 56 HG SER 7 HG SER 7 -11.300 -5.087 9.181 57 H GLY 8 H GLY 8 -11.302 -8.364 6.771 58 1HA GLY 8 1HA GLY 8 -13.664 -8.251 5.374 59 2HA GLY 8 2HA GLY 8 -13.404 -9.369 6.722 60 H ASP 9 H ASP 9 -13.277 -7.396 8.813 61 HA ASP 9 HA ASP 9 -16.107 -7.076 9.325 62 1HB ASP 9 1HB ASP 9 -15.462 -6.478 11.497 63 2HB ASP 9 2HB ASP 9 -14.272 -7.688 11.011 64 H GLY 10 H GLY 10 -14.188 -5.184 7.387 65 1HA GLY 10 1HA GLY 10 -14.830 -3.194 6.403 66 2HA GLY 10 2HA GLY 10 -15.900 -2.812 7.751 67 H SER 11 H SER 11 -13.151 -3.669 9.395 68 HA SER 11 HA SER 11 -12.572 -0.960 9.971 69 1HB SER 11 1HB SER 11 -12.150 -2.710 11.597 70 2HB SER 11 2HB SER 11 -10.784 -3.317 10.631 71 HG SER 11 HG SER 11 -10.092 -1.866 12.235 72 H LEU 12 H LEU 12 -11.153 0.437 9.288 73 HA LEU 12 HA LEU 12 -10.052 0.171 6.624 74 1HB LEU 12 1HB LEU 12 -9.952 2.406 8.700 75 2HB LEU 12 2HB LEU 12 -9.566 2.592 6.989 76 HG LEU 12 HG LEU 12 -12.329 1.774 8.037 77 1HD1 LEU 12 1HD1 LEU 12 -11.255 4.481 7.187 78 2HD1 LEU 12 2HD1 LEU 12 -12.966 4.102 7.471 79 3HD1 LEU 12 3HD1 LEU 12 -11.800 4.008 8.802 80 1HD2 LEU 12 1HD2 LEU 12 -13.035 2.414 5.727 81 2HD2 LEU 12 2HD2 LEU 12 -11.323 2.585 5.284 82 3HD2 LEU 12 3HD2 LEU 12 -11.972 1.002 5.759 83 H VAL 13 H VAL 13 -8.668 -1.659 7.464 84 HA VAL 13 HA VAL 13 -5.953 -0.543 8.074 85 HB VAL 13 HB VAL 13 -5.469 -2.546 9.416 86 1HG1 VAL 13 1HG1 VAL 13 -7.856 -0.978 10.484 87 2HG1 VAL 13 2HG1 VAL 13 -6.639 -1.848 11.436 88 3HG1 VAL 13 3HG1 VAL 13 -6.168 -0.422 10.493 89 1HG2 VAL 13 1HG2 VAL 13 -7.186 -4.108 8.521 90 2HG2 VAL 13 2HG2 VAL 13 -7.265 -3.972 10.282 91 3HG2 VAL 13 3HG2 VAL 13 -8.460 -3.132 9.282 92 H PHE 14 H PHE 14 -4.210 -1.568 7.081 93 HA PHE 14 HA PHE 14 -4.846 -3.092 4.627 94 1HB PHE 14 1HB PHE 14 -2.282 -2.071 5.924 95 2HB PHE 14 2HB PHE 14 -2.276 -3.158 4.555 96 HD1 PHE 14 HD2 PHE 14 -3.318 0.262 5.664 97 HD2 PHE 14 HD1 PHE 14 -2.341 -2.317 2.347 98 HE1 PHE 14 HE2 PHE 14 -3.125 2.220 4.160 99 HE2 PHE 14 HE1 PHE 14 -2.031 -0.366 0.920 100 HZ PHE 14 HZ PHE 14 -2.565 1.914 1.758 101 H VAL 15 H VAL 15 -4.556 -5.373 4.504 102 HA VAL 15 HA VAL 15 -3.571 -6.721 6.997 103 HB VAL 15 HB VAL 15 -5.772 -7.634 5.158 104 1HG1 VAL 15 1HG1 VAL 15 -6.115 -9.367 6.891 105 2HG1 VAL 15 2HG1 VAL 15 -4.510 -9.506 6.168 106 3HG1 VAL 15 3HG1 VAL 15 -4.696 -8.771 7.775 107 1HG2 VAL 15 1HG2 VAL 15 -6.585 -5.753 6.469 108 2HG2 VAL 15 2HG2 VAL 15 -7.231 -7.262 7.121 109 3HG2 VAL 15 3HG2 VAL 15 -5.889 -6.445 7.954 110 HA PRO 16 HA PRO 16 -1.714 -7.700 7.547 111 1HB PRO 16 1HB PRO 16 1.017 -7.384 6.432 112 2HB PRO 16 2HB PRO 16 0.460 -8.481 7.718 113 1HG PRO 16 1HG PRO 16 1.093 -9.415 5.235 114 2HG PRO 16 2HG PRO 16 -0.345 -10.056 6.097 115 1HD PRO 16 1HD PRO 16 -0.266 -7.849 4.008 116 2HD PRO 16 2HD PRO 16 -1.305 -9.301 4.046 117 H SER 17 H SER 17 -0.948 -5.865 8.785 118 HA SER 17 HA SER 17 -1.087 -3.295 7.415 119 1HB SER 17 1HB SER 17 -0.399 -3.725 10.335 120 2HB SER 17 2HB SER 17 -1.240 -2.371 9.560 121 HG SER 17 HG SER 17 -2.839 -4.148 8.971 122 H GLU 18 H GLU 18 1.320 -5.227 9.197 123 HA GLU 18 HA GLU 18 3.529 -3.742 7.913 124 1HB GLU 18 1HB GLU 18 4.835 -3.993 9.944 125 2HB GLU 18 2HB GLU 18 3.389 -3.012 10.227 126 1HG GLU 18 1HG GLU 18 2.256 -5.043 11.206 127 2HG GLU 18 2HG GLU 18 3.768 -5.940 10.974 128 H PHE 19 H PHE 19 5.159 -5.135 7.135 129 HA PHE 19 HA PHE 19 5.277 -7.923 7.767 130 1HB PHE 19 1HB PHE 19 4.573 -8.837 5.612 131 2HB PHE 19 2HB PHE 19 3.241 -8.069 6.423 132 HD1 PHE 19 HD2 PHE 19 2.519 -5.677 5.652 133 HD2 PHE 19 HD1 PHE 19 5.040 -8.323 3.354 134 HE1 PHE 19 HE2 PHE 19 1.883 -4.504 3.581 135 HE2 PHE 19 HE1 PHE 19 4.487 -7.050 1.305 136 HZ PHE 19 HZ PHE 19 2.943 -5.111 1.419 137 H SER 20 H SER 20 6.748 -9.025 5.975 138 HA SER 20 HA SER 20 8.780 -7.113 4.999 139 1HB SER 20 1HB SER 20 9.332 -9.696 6.531 140 2HB SER 20 2HB SER 20 10.540 -8.558 5.930 141 HG SER 20 HG SER 20 9.394 -6.971 7.380 142 H VAL 21 H VAL 21 9.746 -7.780 3.061 143 HA VAL 21 HA VAL 21 8.968 -10.403 1.931 144 HB VAL 21 HB VAL 21 8.438 -9.355 -0.204 145 1HG1 VAL 21 1HG1 VAL 21 6.631 -9.716 1.504 146 2HG1 VAL 21 2HG1 VAL 21 6.795 -7.996 1.937 147 3HG1 VAL 21 3HG1 VAL 21 6.279 -8.458 0.304 148 1HG2 VAL 21 1HG2 VAL 21 8.075 -6.913 -0.422 149 2HG2 VAL 21 2HG2 VAL 21 8.796 -6.661 1.177 150 3HG2 VAL 21 3HG2 VAL 21 9.775 -7.303 -0.162 151 HA PRO 22 HA PRO 22 13.268 -10.206 0.813 152 1HB PRO 22 1HB PRO 22 13.442 -11.969 -1.268 153 2HB PRO 22 2HB PRO 22 13.116 -12.496 0.409 154 1HG PRO 22 1HG PRO 22 11.108 -12.012 -1.804 155 2HG PRO 22 2HG PRO 22 11.226 -13.438 -0.736 156 1HD PRO 22 1HD PRO 22 9.486 -11.405 -0.212 157 2HD PRO 22 2HD PRO 22 10.341 -12.245 1.108 158 H SER 23 H SER 23 14.564 -9.098 -0.683 159 HA SER 23 HA SER 23 13.559 -6.994 -2.189 160 1HB SER 23 1HB SER 23 16.090 -8.601 -2.698 161 2HB SER 23 2HB SER 23 15.777 -6.968 -3.300 162 HG SER 23 HG SER 23 15.680 -7.646 -0.531 163 H GLY 24 H GLY 24 12.348 -6.888 -4.001 164 1HA GLY 24 1HA GLY 24 12.047 -7.254 -6.308 165 2HA GLY 24 2HA GLY 24 12.823 -8.832 -6.212 166 H GLU 25 H GLU 25 10.807 -9.021 -3.567 167 HA GLU 25 HA GLU 25 8.930 -10.606 -5.040 168 1HB GLU 25 1HB GLU 25 9.563 -10.353 -2.358 169 2HB GLU 25 2HB GLU 25 7.958 -9.628 -2.417 170 1HG GLU 25 1HG GLU 25 8.670 -12.394 -3.524 171 2HG GLU 25 2HG GLU 25 8.028 -12.105 -1.908 172 H LYS 26 H LYS 26 6.773 -10.185 -5.631 173 HA LYS 26 HA LYS 26 6.135 -7.363 -6.097 174 1HB LYS 26 1HB LYS 26 4.332 -8.307 -7.447 175 2HB LYS 26 2HB LYS 26 5.943 -8.749 -8.010 176 1HG LYS 26 1HG LYS 26 5.729 -10.995 -7.171 177 2HG LYS 26 2HG LYS 26 4.214 -10.633 -6.330 178 1HD LYS 26 1HD LYS 26 4.578 -10.426 -9.357 179 2HD LYS 26 2HD LYS 26 4.033 -11.893 -8.530 180 1HE LYS 26 1HE LYS 26 2.089 -10.670 -7.592 181 2HE LYS 26 2HE LYS 26 2.585 -9.204 -8.461 182 1HZ LYS 26 1HZ LYS 26 2.339 -10.393 -10.503 183 2HZ LYS 26 2HZ LYS 26 1.869 -11.758 -9.707 184 3HZ LYS 26 3HZ LYS 26 0.931 -10.406 -9.645 185 H ILE 27 H ILE 27 4.382 -6.340 -5.211 186 HA ILE 27 HA ILE 27 2.921 -7.731 -3.006 187 HB ILE 27 HB ILE 27 3.392 -4.767 -3.366 188 1HG1 ILE 27 1HG1 ILE 27 4.929 -6.684 -1.546 189 2HG1 ILE 27 2HG1 ILE 27 5.586 -5.912 -3.000 190 1HG2 ILE 27 1HG2 ILE 27 2.495 -6.369 -0.936 191 2HG2 ILE 27 2HG2 ILE 27 2.602 -4.608 -1.055 192 3HG2 ILE 27 3HG2 ILE 27 1.403 -5.471 -2.010 193 1HD1 ILE 27 1HD1 ILE 27 5.182 -3.669 -1.996 194 2HD1 ILE 27 2HD1 ILE 27 4.742 -4.473 -0.471 195 3HD1 ILE 27 3HD1 ILE 27 6.368 -4.674 -1.141 196 H VAL 28 H VAL 28 0.762 -7.837 -3.280 197 HA VAL 28 HA VAL 28 -0.533 -6.421 -5.584 198 HB VAL 28 HB VAL 28 -1.048 -9.207 -4.462 199 1HG1 VAL 28 1HG1 VAL 28 -2.440 -7.682 -6.708 200 2HG1 VAL 28 2HG1 VAL 28 -2.682 -9.398 -6.323 201 3HG1 VAL 28 3HG1 VAL 28 -3.167 -8.160 -5.162 202 1HG2 VAL 28 1HG2 VAL 28 -0.375 -9.960 -6.723 203 2HG2 VAL 28 2HG2 VAL 28 0.075 -8.296 -7.138 204 3HG2 VAL 28 3HG2 VAL 28 0.954 -9.168 -5.864 205 H PHE 29 H PHE 29 -1.429 -4.694 -4.495 206 HA PHE 29 HA PHE 29 -2.801 -5.153 -1.914 207 1HB PHE 29 1HB PHE 29 -2.486 -2.703 -3.662 208 2HB PHE 29 2HB PHE 29 -3.302 -2.742 -2.113 209 HD1 PHE 29 HD1 PHE 29 -2.044 -3.119 -0.002 210 HD2 PHE 29 HD2 PHE 29 -0.060 -2.648 -3.795 211 HE1 PHE 29 HE1 PHE 29 0.060 -2.477 1.177 212 HE2 PHE 29 HE2 PHE 29 2.043 -2.056 -2.601 213 HZ PHE 29 HZ PHE 29 2.101 -1.969 -0.129 214 H LYS 30 H LYS 30 -5.052 -5.512 -1.801 215 HA LYS 30 HA LYS 30 -6.629 -5.258 -4.350 216 1HB LYS 30 1HB LYS 30 -5.845 -7.566 -3.944 217 2HB LYS 30 2HB LYS 30 -6.608 -7.534 -2.356 218 1HG LYS 30 1HG LYS 30 -8.844 -7.323 -3.392 219 2HG LYS 30 2HG LYS 30 -8.087 -7.194 -4.989 220 1HD LYS 30 1HD LYS 30 -7.099 -9.494 -4.659 221 2HD LYS 30 2HD LYS 30 -7.931 -9.592 -3.101 222 1HE LYS 30 1HE LYS 30 -9.236 -10.786 -4.745 223 2HE LYS 30 2HE LYS 30 -10.127 -9.322 -4.301 224 1HZ LYS 30 1HZ LYS 30 -9.292 -8.303 -6.326 225 2HZ LYS 30 2HZ LYS 30 -8.456 -9.674 -6.699 226 3HZ LYS 30 3HZ LYS 30 -10.102 -9.697 -6.660 227 H ASN 31 H ASN 31 -8.518 -4.186 -4.152 228 HA ASN 31 HA ASN 31 -9.453 -3.098 -1.652 229 1HB ASN 31 1HB ASN 31 -10.497 -3.290 -4.496 230 2HB ASN 31 2HB ASN 31 -11.670 -3.042 -3.209 231 1HD2 ASN 31 1HD2 ASN 31 -11.192 0.336 -4.152 232 2HD2 ASN 31 2HD2 ASN 31 -11.999 -1.127 -4.690 233 H ASN 32 H ASN 32 -10.035 -4.459 -0.018 234 HA ASN 32 HA ASN 32 -11.613 -6.905 -0.660 235 1HB ASN 32 1HB ASN 32 -9.666 -7.213 0.665 236 2HB ASN 32 2HB ASN 32 -10.131 -5.973 1.811 237 1HD2 ASN 32 1HD2 ASN 32 -11.917 -8.288 3.788 238 2HD2 ASN 32 2HD2 ASN 32 -10.956 -6.810 3.684 239 H ALA 33 H ALA 33 -11.630 -4.527 1.962 240 HA ALA 33 HA ALA 33 -14.565 -4.076 1.662 241 1HB ALA 33 1HB ALA 33 -14.348 -6.003 3.202 242 2HB ALA 33 2HB ALA 33 -13.211 -5.072 4.198 243 3HB ALA 33 3HB ALA 33 -14.909 -4.563 4.076 244 H GLY 34 H GLY 34 -15.232 -2.269 3.294 245 1HA GLY 34 1HA GLY 34 -14.967 -0.105 3.990 246 2HA GLY 34 2HA GLY 34 -13.359 -0.589 4.540 247 H PHE 35 H PHE 35 -14.026 -0.889 1.139 248 HA PHE 35 HA PHE 35 -12.028 1.074 0.340 249 1HB PHE 35 1HB PHE 35 -12.557 0.181 -1.917 250 2HB PHE 35 2HB PHE 35 -12.195 -1.013 -0.730 251 HD1 PHE 35 HD2 PHE 35 -15.031 0.687 -2.439 252 HD2 PHE 35 HD1 PHE 35 -13.577 -2.830 -0.427 253 HE1 PHE 35 HE2 PHE 35 -17.204 -0.464 -2.876 254 HE2 PHE 35 HE1 PHE 35 -15.777 -3.951 -0.771 255 HZ PHE 35 HZ PHE 35 -17.593 -2.761 -1.996 256 HA PRO 36 HA PRO 36 -12.396 2.136 -2.236 257 1HB PRO 36 1HB PRO 36 -11.802 4.619 -2.980 258 2HB PRO 36 2HB PRO 36 -13.367 3.871 -3.365 259 1HG PRO 36 1HG PRO 36 -12.818 5.686 -0.999 260 2HG PRO 36 2HG PRO 36 -14.086 5.878 -2.254 261 1HD PRO 36 1HD PRO 36 -14.637 4.602 0.080 262 2HD PRO 36 2HD PRO 36 -15.280 3.959 -1.454 263 H HIS 37 H HIS 37 -10.151 2.501 -2.640 264 HA HIS 37 HA HIS 37 -8.555 3.649 -0.489 265 1HB HIS 37 1HB HIS 37 -8.271 0.730 -1.310 266 2HB HIS 37 2HB HIS 37 -7.308 1.539 -0.085 267 HD2 HIS 37 HD2 HIS 37 -9.871 -0.990 -0.294 268 HE1 HIS 37 HE1 HIS 37 -10.386 0.672 3.563 269 HE2 HIS 37 HE2 HIS 37 -10.767 -1.369 2.085 270 H ASN 38 H ASN 38 -6.150 3.243 -0.962 271 HA ASN 38 HA ASN 38 -5.293 2.640 -3.585 272 1HB ASN 38 1HB ASN 38 -4.418 4.831 -4.178 273 2HB ASN 38 2HB ASN 38 -6.165 4.901 -4.034 274 1HD2 ASN 38 1HD2 ASN 38 -5.260 7.978 -2.438 275 2HD2 ASN 38 2HD2 ASN 38 -5.623 7.289 -4.012 276 H VAL 39 H VAL 39 -2.747 3.419 -3.458 277 HA VAL 39 HA VAL 39 -1.815 3.011 -0.663 278 HB VAL 39 HB VAL 39 -0.754 1.467 -3.058 279 1HG1 VAL 39 1HG1 VAL 39 0.476 0.239 -1.324 280 2HG1 VAL 39 2HG1 VAL 39 0.896 1.945 -1.252 281 3HG1 VAL 39 3HG1 VAL 39 -0.224 1.260 -0.055 282 1HG2 VAL 39 1HG2 VAL 39 -2.734 0.686 -0.878 283 2HG2 VAL 39 2HG2 VAL 39 -2.923 0.542 -2.639 284 3HG2 VAL 39 3HG2 VAL 39 -1.776 -0.488 -1.780 285 H VAL 40 H VAL 40 -0.762 4.821 -0.254 286 HA VAL 40 HA VAL 40 1.003 6.037 -2.320 287 HB VAL 40 HB VAL 40 -0.309 7.283 0.130 288 1HG1 VAL 40 1HG1 VAL 40 1.803 8.381 -0.426 289 2HG1 VAL 40 2HG1 VAL 40 1.358 8.460 -2.139 290 3HG1 VAL 40 3HG1 VAL 40 0.470 9.419 -0.932 291 1HG2 VAL 40 1HG2 VAL 40 -1.686 8.545 -1.524 292 2HG2 VAL 40 2HG2 VAL 40 -1.056 7.489 -2.812 293 3HG2 VAL 40 3HG2 VAL 40 -2.051 6.819 -1.504 294 H PHE 41 H PHE 41 3.162 6.008 -1.830 295 HA PHE 41 HA PHE 41 3.993 4.838 0.762 296 1HB PHE 41 1HB PHE 41 5.419 5.368 -1.845 297 2HB PHE 41 2HB PHE 41 6.247 4.893 -0.381 298 HD1 PHE 41 HD2 PHE 41 5.857 2.723 0.720 299 HD2 PHE 41 HD1 PHE 41 3.991 3.697 -3.012 300 HE1 PHE 41 HE2 PHE 41 5.585 0.294 0.233 301 HE2 PHE 41 HE1 PHE 41 3.479 1.287 -3.389 302 HZ PHE 41 HZ PHE 41 4.330 -0.421 -1.791 303 H ASP 42 H ASP 42 4.917 6.028 2.342 304 HA ASP 42 HA ASP 42 4.735 8.913 2.196 305 1HB ASP 42 1HB ASP 42 4.292 7.671 4.264 306 2HB ASP 42 2HB ASP 42 5.960 7.085 4.282 307 H GLU 43 H GLU 43 6.074 9.809 0.758 308 HA GLU 43 HA GLU 43 8.485 9.200 -0.227 309 1HB GLU 43 1HB GLU 43 8.826 11.793 -0.345 310 2HB GLU 43 2HB GLU 43 7.548 10.986 -1.241 311 1HG GLU 43 1HG GLU 43 6.764 13.066 -0.247 312 2HG GLU 43 2HG GLU 43 5.836 11.705 0.350 313 H ASP 44 H ASP 44 8.174 10.605 3.030 314 HA ASP 44 HA ASP 44 11.071 11.013 3.256 315 1HB ASP 44 1HB ASP 44 8.847 11.042 5.350 316 2HB ASP 44 2HB ASP 44 10.539 11.446 5.648 317 H GLU 45 H GLU 45 8.695 8.592 4.353 318 HA GLU 45 HA GLU 45 10.804 6.973 5.660 319 1HB GLU 45 1HB GLU 45 7.808 6.708 5.534 320 2HB GLU 45 2HB GLU 45 8.886 5.712 6.534 321 1HG GLU 45 1HG GLU 45 9.554 7.675 7.838 322 2HG GLU 45 2HG GLU 45 8.576 8.741 6.828 323 H ILE 46 H ILE 46 11.488 6.868 3.127 324 HA ILE 46 HA ILE 46 11.141 4.068 2.418 325 HB ILE 46 HB ILE 46 10.732 4.593 0.028 326 1HG1 ILE 46 1HG1 ILE 46 9.898 7.365 0.923 327 2HG1 ILE 46 2HG1 ILE 46 11.431 7.016 0.115 328 1HG2 ILE 46 1HG2 ILE 46 8.863 3.874 1.517 329 2HG2 ILE 46 2HG2 ILE 46 8.371 5.566 1.666 330 3HG2 ILE 46 3HG2 ILE 46 8.385 4.764 0.086 331 1HD1 ILE 46 1HD1 ILE 46 9.992 7.751 -1.592 332 2HD1 ILE 46 2HD1 ILE 46 10.095 5.994 -1.791 333 3HD1 ILE 46 3HD1 ILE 46 8.649 6.724 -1.053 334 HA PRO 47 HA PRO 47 15.427 4.849 1.385 335 1HB PRO 47 1HB PRO 47 15.029 3.300 -1.176 336 2HB PRO 47 2HB PRO 47 16.269 3.084 0.085 337 1HG PRO 47 1HG PRO 47 14.175 1.372 -0.109 338 2HG PRO 47 2HG PRO 47 14.719 1.945 1.491 339 1HD PRO 47 1HD PRO 47 12.397 3.029 -0.149 340 2HD PRO 47 2HD PRO 47 12.447 2.548 1.569 341 H ALA 48 H ALA 48 15.639 6.975 0.832 342 HA ALA 48 HA ALA 48 14.273 8.669 -0.678 343 1HB ALA 48 1HB ALA 48 16.276 10.069 -0.834 344 2HB ALA 48 2HB ALA 48 16.169 9.282 0.750 345 3HB ALA 48 3HB ALA 48 17.309 8.669 -0.471 346 H GLY 49 H GLY 49 16.816 6.625 -2.138 347 1HA GLY 49 1HA GLY 49 16.926 7.815 -4.688 348 2HA GLY 49 2HA GLY 49 17.287 6.122 -4.327 349 H VAL 50 H VAL 50 14.500 5.538 -3.366 350 HA VAL 50 HA VAL 50 13.387 4.970 -6.019 351 HB VAL 50 HB VAL 50 12.380 4.186 -3.259 352 1HG1 VAL 50 1HG1 VAL 50 11.161 2.440 -4.587 353 2HG1 VAL 50 2HG1 VAL 50 10.621 4.077 -4.985 354 3HG1 VAL 50 3HG1 VAL 50 11.717 3.210 -6.081 355 1HG2 VAL 50 1HG2 VAL 50 13.393 1.987 -3.810 356 2HG2 VAL 50 2HG2 VAL 50 14.125 2.686 -5.267 357 3HG2 VAL 50 3HG2 VAL 50 14.624 3.242 -3.655 358 H ASP 51 H ASP 51 12.540 6.806 -6.904 359 HA ASP 51 HA ASP 51 11.213 8.910 -5.635 360 1HB ASP 51 1HB ASP 51 11.912 9.125 -7.912 361 2HB ASP 51 2HB ASP 51 10.935 7.738 -8.416 362 H ALA 52 H ALA 52 9.527 8.803 -4.349 363 HA ALA 52 HA ALA 52 7.765 6.790 -3.800 364 1HB ALA 52 1HB ALA 52 6.354 8.461 -2.744 365 2HB ALA 52 2HB ALA 52 8.066 8.834 -2.457 366 3HB ALA 52 3HB ALA 52 7.154 9.763 -3.660 367 H VAL 53 H VAL 53 7.393 9.321 -6.296 368 HA VAL 53 HA VAL 53 4.683 8.829 -6.939 369 HB VAL 53 HB VAL 53 6.914 9.880 -8.726 370 1HG1 VAL 53 1HG1 VAL 53 3.885 10.115 -8.956 371 2HG1 VAL 53 2HG1 VAL 53 5.050 11.056 -9.908 372 3HG1 VAL 53 3HG1 VAL 53 4.979 9.305 -10.100 373 1HG2 VAL 53 1HG2 VAL 53 6.689 11.233 -6.654 374 2HG2 VAL 53 2HG2 VAL 53 6.055 12.114 -8.043 375 3HG2 VAL 53 3HG2 VAL 53 4.936 11.333 -6.910 376 H LYS 54 H LYS 54 7.580 6.968 -7.797 377 HA LYS 54 HA LYS 54 6.234 5.600 -10.027 378 1HB LYS 54 1HB LYS 54 8.782 4.905 -8.527 379 2HB LYS 54 2HB LYS 54 8.239 4.160 -10.014 380 1HG LYS 54 1HG LYS 54 9.009 7.072 -9.587 381 2HG LYS 54 2HG LYS 54 10.015 5.871 -10.378 382 1HD LYS 54 1HD LYS 54 7.318 6.811 -11.498 383 2HD LYS 54 2HD LYS 54 8.854 7.585 -11.827 384 1HE LYS 54 1HE LYS 54 8.356 6.176 -13.674 385 2HE LYS 54 2HE LYS 54 9.753 5.497 -12.826 386 1HZ LYS 54 1HZ LYS 54 8.334 3.860 -11.887 387 2HZ LYS 54 2HZ LYS 54 6.981 4.567 -12.509 388 3HZ LYS 54 3HZ LYS 54 8.094 3.878 -13.509 389 H ILE 55 H ILE 55 6.993 4.872 -6.639 390 HA ILE 55 HA ILE 55 5.817 2.194 -6.764 391 HB ILE 55 HB ILE 55 6.166 2.127 -4.393 392 1HG1 ILE 55 1HG1 ILE 55 7.676 4.759 -4.814 393 2HG1 ILE 55 2HG1 ILE 55 6.141 4.585 -3.929 394 1HG2 ILE 55 1HG2 ILE 55 7.751 1.246 -6.099 395 2HG2 ILE 55 2HG2 ILE 55 8.629 2.791 -6.041 396 3HG2 ILE 55 3HG2 ILE 55 8.545 1.738 -4.611 397 1HD1 ILE 55 1HD1 ILE 55 7.345 2.784 -2.577 398 2HD1 ILE 55 2HD1 ILE 55 8.848 3.432 -3.274 399 3HD1 ILE 55 3HD1 ILE 55 7.830 4.484 -2.272 400 H SER 56 H SER 56 4.700 5.410 -5.776 401 HA SER 56 HA SER 56 2.357 4.431 -4.376 402 1HB SER 56 1HB SER 56 3.094 7.206 -5.331 403 2HB SER 56 2HB SER 56 1.800 6.821 -4.206 404 HG SER 56 HG SER 56 4.596 6.564 -3.901 405 H MET 57 H MET 57 0.283 4.372 -4.944 406 HA MET 57 HA MET 57 -0.545 4.547 -7.712 407 1HB MET 57 1HB MET 57 -1.470 3.035 -5.866 408 2HB MET 57 2HB MET 57 -2.179 4.467 -5.117 409 1HG MET 57 1HG MET 57 -2.829 3.504 -7.930 410 2HG MET 57 2HG MET 57 -3.709 3.010 -6.487 411 1HE MET 57 1HE MET 57 -5.979 3.640 -7.557 412 2HE MET 57 2HE MET 57 -6.320 5.224 -8.288 413 3HE MET 57 3HE MET 57 -5.114 4.149 -9.030 414 HA PRO 58 HA PRO 58 -0.780 9.026 -7.572 415 1HB PRO 58 1HB PRO 58 -3.158 9.487 -9.049 416 2HB PRO 58 2HB PRO 58 -1.480 9.396 -9.637 417 1HG PRO 58 1HG PRO 58 -3.567 7.219 -9.576 418 2HG PRO 58 2HG PRO 58 -2.362 7.555 -10.849 419 1HD PRO 58 1HD PRO 58 -2.050 5.545 -9.079 420 2HD PRO 58 2HD PRO 58 -0.635 6.526 -9.550 421 H GLU 59 H GLU 59 -1.127 9.742 -5.644 422 HA GLU 59 HA GLU 59 -2.745 9.115 -3.649 423 1HB GLU 59 1HB GLU 59 -1.984 12.025 -4.162 424 2HB GLU 59 2HB GLU 59 -2.268 11.227 -2.616 425 1HG GLU 59 1HG GLU 59 0.011 11.185 -2.605 426 2HG GLU 59 2HG GLU 59 -0.262 9.644 -3.425 427 H GLU 60 H GLU 60 -3.760 11.476 -6.054 428 HA GLU 60 HA GLU 60 -6.178 12.224 -4.684 429 1HB GLU 60 1HB GLU 60 -4.795 13.608 -6.271 430 2HB GLU 60 2HB GLU 60 -5.384 12.622 -7.609 431 1HG GLU 60 1HG GLU 60 -7.152 14.214 -5.690 432 2HG GLU 60 2HG GLU 60 -6.524 14.856 -7.213 433 H GLU 61 H GLU 61 -5.317 9.760 -7.063 434 HA GLU 61 HA GLU 61 -8.089 9.178 -7.796 435 1HB GLU 61 1HB GLU 61 -5.438 7.853 -8.475 436 2HB GLU 61 2HB GLU 61 -7.000 7.487 -9.214 437 1HG GLU 61 1HG GLU 61 -7.164 9.772 -10.118 438 2HG GLU 61 2HG GLU 61 -5.633 10.219 -9.355 439 H LEU 62 H LEU 62 -8.827 6.821 -7.631 440 HA LEU 62 HA LEU 62 -7.655 5.266 -5.487 441 1HB LEU 62 1HB LEU 62 -9.729 5.285 -4.099 442 2HB LEU 62 2HB LEU 62 -8.660 6.674 -4.039 443 HG LEU 62 HG LEU 62 -10.217 7.915 -5.615 444 1HD1 LEU 62 1HD1 LEU 62 -12.610 7.060 -5.594 445 2HD1 LEU 62 2HD1 LEU 62 -11.530 6.197 -6.683 446 3HD1 LEU 62 3HD1 LEU 62 -11.977 5.469 -5.125 447 1HD2 LEU 62 1HD2 LEU 62 -10.088 8.261 -3.263 448 2HD2 LEU 62 2HD2 LEU 62 -11.789 8.370 -3.766 449 3HD2 LEU 62 3HD2 LEU 62 -11.188 6.905 -2.937 450 H LEU 63 H LEU 63 -8.714 3.287 -5.107 451 HA LEU 63 HA LEU 63 -9.860 2.033 -7.512 452 1HB LEU 63 1HB LEU 63 -9.131 0.926 -4.770 453 2HB LEU 63 2HB LEU 63 -9.519 -0.006 -6.221 454 HG LEU 63 HG LEU 63 -7.078 1.776 -5.775 455 1HD1 LEU 63 1HD1 LEU 63 -5.862 -0.347 -5.748 456 2HD1 LEU 63 2HD1 LEU 63 -7.119 -0.348 -4.501 457 3HD1 LEU 63 3HD1 LEU 63 -7.371 -1.244 -6.015 458 1HD2 LEU 63 1HD2 LEU 63 -7.658 1.816 -8.171 459 2HD2 LEU 63 2HD2 LEU 63 -6.231 0.805 -7.904 460 3HD2 LEU 63 3HD2 LEU 63 -7.806 0.044 -8.186 461 H ASN 64 H ASN 64 -12.044 2.418 -7.701 462 HA ASN 64 HA ASN 64 -13.669 3.099 -5.392 463 1HB ASN 64 1HB ASN 64 -15.419 3.532 -6.988 464 2HB ASN 64 2HB ASN 64 -13.918 4.351 -7.434 465 1HD2 ASN 64 1HD2 ASN 64 -15.500 2.717 -10.470 466 2HD2 ASN 64 2HD2 ASN 64 -16.139 3.798 -9.247 467 H ALA 65 H ALA 65 -13.833 0.499 -7.860 468 HA ALA 65 HA ALA 65 -16.016 -0.821 -6.485 469 1HB ALA 65 1HB ALA 65 -15.703 -2.486 -8.375 470 2HB ALA 65 2HB ALA 65 -15.862 -0.806 -8.911 471 3HB ALA 65 3HB ALA 65 -14.270 -1.580 -8.864 472 HA PRO 66 HA PRO 66 -13.669 -3.719 -3.976 473 1HB PRO 66 1HB PRO 66 -15.155 -6.011 -4.110 474 2HB PRO 66 2HB PRO 66 -15.715 -4.567 -3.229 475 1HG PRO 66 1HG PRO 66 -16.435 -5.381 -6.056 476 2HG PRO 66 2HG PRO 66 -17.550 -4.919 -4.734 477 1HD PRO 66 1HD PRO 66 -16.801 -3.126 -6.593 478 2HD PRO 66 2HD PRO 66 -16.891 -2.628 -4.885 479 H GLY 67 H GLY 67 -12.365 -5.742 -4.230 480 1HA GLY 67 1HA GLY 67 -11.278 -7.372 -5.431 481 2HA GLY 67 2HA GLY 67 -12.312 -7.080 -6.830 482 H GLU 68 H GLU 68 -11.676 -4.227 -7.062 483 HA GLU 68 HA GLU 68 -9.641 -4.124 -8.876 484 1HB GLU 68 1HB GLU 68 -10.425 -2.049 -6.793 485 2HB GLU 68 2HB GLU 68 -9.404 -1.692 -8.197 486 1HG GLU 68 1HG GLU 68 -12.263 -2.767 -8.379 487 2HG GLU 68 2HG GLU 68 -11.807 -1.066 -8.508 488 H THR 69 H THR 69 -7.447 -4.272 -8.910 489 HA THR 69 HA THR 69 -6.019 -4.485 -6.332 490 HB THR 69 HB THR 69 -4.389 -5.745 -8.049 491 HG1 THR 69 HG1 THR 69 -6.922 -6.323 -9.154 492 1HG2 THR 69 1HG2 THR 69 -5.389 -6.805 -6.093 493 2HG2 THR 69 2HG2 THR 69 -6.934 -6.995 -6.957 494 3HG2 THR 69 3HG2 THR 69 -5.488 -7.869 -7.506 495 OH TYR 70 OH TYR 70 1.640 2.216 -7.613 496 H TYR 70 H TYR 70 -3.819 -3.825 -6.288 497 HA TYR 70 HA TYR 70 -2.816 -1.981 -8.375 498 1HB TYR 70 1HB TYR 70 -3.778 -0.530 -6.630 499 2HB TYR 70 2HB TYR 70 -2.866 -1.353 -5.386 500 HD1 TYR 70 HD2 TYR 70 -2.455 0.536 -8.605 501 HD2 TYR 70 HD1 TYR 70 -0.674 -0.550 -4.830 502 HE1 TYR 70 HE2 TYR 70 -0.470 1.933 -9.132 503 HE2 TYR 70 HE1 TYR 70 1.301 0.846 -5.362 504 HH TYR 70 HH TYR 70 2.330 2.191 -6.940 505 H VAL 71 H VAL 71 -1.043 -3.065 -9.033 506 HA VAL 71 HA VAL 71 0.391 -4.819 -7.128 507 HB VAL 71 HB VAL 71 0.510 -4.722 -10.163 508 1HG1 VAL 71 1HG1 VAL 71 1.583 -6.694 -8.095 509 2HG1 VAL 71 2HG1 VAL 71 1.525 -7.006 -9.845 510 3HG1 VAL 71 3HG1 VAL 71 2.538 -5.702 -9.219 511 1HG2 VAL 71 1HG2 VAL 71 -1.739 -5.419 -9.489 512 2HG2 VAL 71 2HG2 VAL 71 -0.834 -6.836 -10.024 513 3HG2 VAL 71 3HG2 VAL 71 -1.064 -6.538 -8.287 514 H VAL 72 H VAL 72 2.575 -4.561 -6.720 515 HA VAL 72 HA VAL 72 4.195 -2.624 -8.215 516 HB VAL 72 HB VAL 72 2.988 -1.247 -6.518 517 1HG1 VAL 72 1HG1 VAL 72 4.509 -2.914 -4.467 518 2HG1 VAL 72 2HG1 VAL 72 3.571 -1.444 -4.154 519 3HG1 VAL 72 3HG1 VAL 72 2.746 -2.911 -4.725 520 1HG2 VAL 72 1HG2 VAL 72 5.954 -1.383 -5.873 521 2HG2 VAL 72 2HG2 VAL 72 5.272 -0.626 -7.337 522 3HG2 VAL 72 3HG2 VAL 72 4.855 -0.009 -5.730 523 H THR 73 H THR 73 6.491 -2.762 -7.353 524 HA THR 73 HA THR 73 7.133 -5.311 -6.012 525 HB THR 73 HB THR 73 8.156 -4.624 -8.810 526 HG1 THR 73 HG1 THR 73 5.954 -6.034 -7.902 527 1HG2 THR 73 1HG2 THR 73 9.742 -5.990 -7.453 528 2HG2 THR 73 2HG2 THR 73 8.435 -7.150 -7.125 529 3HG2 THR 73 3HG2 THR 73 9.031 -6.932 -8.777 530 H LEU 74 H LEU 74 8.842 -4.996 -4.676 531 HA LEU 74 HA LEU 74 10.364 -2.427 -4.958 532 1HB LEU 74 1HB LEU 74 9.775 -3.995 -2.441 533 2HB LEU 74 2HB LEU 74 10.589 -2.426 -2.599 534 HG LEU 74 HG LEU 74 7.656 -2.993 -3.238 535 1HD1 LEU 74 1HD1 LEU 74 8.932 -1.411 -0.972 536 2HD1 LEU 74 2HD1 LEU 74 7.195 -1.626 -1.260 537 3HD1 LEU 74 3HD1 LEU 74 8.197 -3.020 -0.819 538 1HD2 LEU 74 1HD2 LEU 74 9.256 -0.396 -3.318 539 2HD2 LEU 74 2HD2 LEU 74 8.454 -1.183 -4.691 540 3HD2 LEU 74 3HD2 LEU 74 7.485 -0.492 -3.389 541 H ASP 75 H ASP 75 12.239 -2.880 -5.902 542 HA ASP 75 HA ASP 75 13.686 -5.396 -5.398 543 1HB ASP 75 1HB ASP 75 13.599 -4.537 -7.668 544 2HB ASP 75 2HB ASP 75 14.283 -2.982 -7.154 545 H THR 76 H THR 76 14.149 -1.866 -4.806 546 HA THR 76 HA THR 76 16.732 -2.196 -3.642 547 HB THR 76 HB THR 76 14.814 0.135 -3.258 548 HG1 THR 76 HG1 THR 76 16.377 -0.564 -5.515 549 1HG2 THR 76 1HG2 THR 76 17.850 -0.008 -3.554 550 2HG2 THR 76 2HG2 THR 76 16.880 1.468 -3.368 551 3HG2 THR 76 3HG2 THR 76 16.961 0.294 -2.042 552 H LYS 77 H LYS 77 17.215 -2.906 -1.665 553 HA LYS 77 HA LYS 77 15.380 -3.733 0.307 554 1HB LYS 77 1HB LYS 77 18.363 -3.083 0.367 555 2HB LYS 77 2HB LYS 77 17.509 -3.749 1.765 556 1HG LYS 77 1HG LYS 77 16.884 -5.731 0.582 557 2HG LYS 77 2HG LYS 77 17.575 -5.123 -0.939 558 1HD LYS 77 1HD LYS 77 19.829 -5.146 0.028 559 2HD LYS 77 2HD LYS 77 19.190 -5.553 1.627 560 1HE LYS 77 1HE LYS 77 20.157 -7.531 0.500 561 2HE LYS 77 2HE LYS 77 18.431 -7.740 0.833 562 1HZ LYS 77 1HZ LYS 77 17.947 -7.233 -1.411 563 2HZ LYS 77 2HZ LYS 77 19.532 -6.913 -1.762 564 3HZ LYS 77 3HZ LYS 77 19.063 -8.445 -1.371 565 H GLY 78 H GLY 78 15.203 -3.053 2.510 566 1HA GLY 78 1HA GLY 78 15.904 -1.114 4.041 567 2HA GLY 78 2HA GLY 78 15.137 -0.073 2.832 568 H THR 79 H THR 79 13.370 0.668 4.032 569 HA THR 79 HA THR 79 11.243 -1.260 4.513 570 HB THR 79 HB THR 79 12.330 0.642 6.649 571 HG1 THR 79 HG1 THR 79 12.853 -1.944 6.007 572 1HG2 THR 79 1HG2 THR 79 9.882 0.453 6.736 573 2HG2 THR 79 2HG2 THR 79 9.993 -1.322 6.669 574 3HG2 THR 79 3HG2 THR 79 10.611 -0.438 8.085 575 OH TYR 80 OH TYR 80 12.368 0.027 -2.318 576 H TYR 80 H TYR 80 9.335 -0.346 3.948 577 HA TYR 80 HA TYR 80 9.368 2.528 3.142 578 1HB TYR 80 1HB TYR 80 8.103 0.106 1.800 579 2HB TYR 80 2HB TYR 80 7.829 1.767 1.332 580 HD1 TYR 80 HD1 TYR 80 10.769 -0.590 1.846 581 HD2 TYR 80 HD2 TYR 80 8.857 2.362 -0.652 582 HE1 TYR 80 HE1 TYR 80 12.496 -0.918 0.147 583 HE2 TYR 80 HE2 TYR 80 10.484 1.859 -2.444 584 HH TYR 80 HH TYR 80 12.963 -0.688 -2.061 585 H SER 81 H SER 81 7.736 3.694 4.045 586 HA SER 81 HA SER 81 5.533 2.218 5.436 587 1HB SER 81 1HB SER 81 6.283 5.137 5.630 588 2HB SER 81 2HB SER 81 5.143 4.254 6.652 589 HG SER 81 HG SER 81 7.917 3.657 6.387 590 H PHE 82 H PHE 82 3.359 2.535 4.809 591 HA PHE 82 HA PHE 82 2.846 4.447 2.635 592 1HB PHE 82 1HB PHE 82 1.648 2.709 1.317 593 2HB PHE 82 2HB PHE 82 3.341 2.442 1.411 594 HD1 PHE 82 HD2 PHE 82 0.066 1.438 2.915 595 HD2 PHE 82 HD1 PHE 82 4.175 0.223 2.241 596 HE1 PHE 82 HE2 PHE 82 -0.347 -0.688 4.069 597 HE2 PHE 82 HE1 PHE 82 3.675 -1.941 3.290 598 HZ PHE 82 HZ PHE 82 1.456 -2.365 4.309 599 OH TYR 83 OH TYR 83 0.911 10.605 1.632 600 H TYR 83 H TYR 83 0.521 4.519 2.091 601 HA TYR 83 HA TYR 83 -1.340 3.854 4.229 602 1HB TYR 83 1HB TYR 83 -1.915 6.200 4.765 603 2HB TYR 83 2HB TYR 83 -0.257 5.809 5.207 604 HD1 TYR 83 HD1 TYR 83 -2.371 7.699 2.809 605 HD2 TYR 83 HD2 TYR 83 1.648 6.869 4.127 606 HE1 TYR 83 HE1 TYR 83 -1.566 9.728 1.635 607 HE2 TYR 83 HE2 TYR 83 2.449 8.885 2.945 608 HH TYR 83 HH TYR 83 1.859 10.741 1.702 609 H CYS 84 H CYS 84 -3.517 4.718 3.824 610 HA CYS 84 HA CYS 84 -4.174 4.821 0.885 611 1HB CYS 84 1HB CYS 84 -5.286 2.953 1.947 612 2HB CYS 84 2HB CYS 84 -5.606 3.917 3.398 613 H SER 85 H SER 85 -4.311 6.990 0.268 614 HA SER 85 HA SER 85 -4.438 8.965 2.179 615 1HB SER 85 1HB SER 85 -5.412 10.426 0.127 616 2HB SER 85 2HB SER 85 -3.716 10.041 0.406 617 HG SER 85 HG SER 85 -4.579 9.589 -1.756 618 HA PRO 86 HA PRO 86 -9.278 9.445 1.463 619 1HB PRO 86 1HB PRO 86 -9.691 6.464 1.118 620 2HB PRO 86 2HB PRO 86 -10.749 7.802 0.587 621 1HG PRO 86 1HG PRO 86 -9.072 6.656 -1.208 622 2HG PRO 86 2HG PRO 86 -9.186 8.441 -1.116 623 1HD PRO 86 1HD PRO 86 -7.045 6.663 0.031 624 2HD PRO 86 2HD PRO 86 -6.912 8.220 -0.824 625 H HIS 87 H HIS 87 -7.412 7.061 3.342 626 HA HIS 87 HA HIS 87 -9.198 7.646 5.659 627 1HB HIS 87 1HB HIS 87 -8.203 4.895 4.909 628 2HB HIS 87 2HB HIS 87 -9.146 5.305 6.335 629 HD2 HIS 87 HD2 HIS 87 -11.684 6.563 5.623 630 HE1 HIS 87 HE1 HIS 87 -12.175 3.905 2.345 631 HE2 HIS 87 HE2 HIS 87 -13.358 5.518 3.905 632 H GLN 88 H GLN 88 -6.293 8.418 4.619 633 HA GLN 88 HA GLN 88 -4.532 7.208 6.475 634 1HB GLN 88 1HB GLN 88 -3.003 8.909 5.917 635 2HB GLN 88 2HB GLN 88 -3.861 8.424 4.463 636 1HG GLN 88 1HG GLN 88 -5.319 10.509 4.755 637 2HG GLN 88 2HG GLN 88 -4.208 11.010 6.039 638 1HE2 GLN 88 1HE2 GLN 88 -1.442 11.549 3.744 639 2HE2 GLN 88 2HE2 GLN 88 -1.765 10.936 5.355 640 H GLY 89 H GLY 89 -6.626 10.068 6.704 641 1HA GLY 89 1HA GLY 89 -5.854 11.029 9.248 642 2HA GLY 89 2HA GLY 89 -7.456 11.213 8.512 643 H ALA 90 H ALA 90 -7.842 8.231 8.320 644 HA ALA 90 HA ALA 90 -8.786 7.780 11.084 645 1HB ALA 90 1HB ALA 90 -10.106 6.000 10.091 646 2HB ALA 90 2HB ALA 90 -10.333 7.494 9.163 647 3HB ALA 90 3HB ALA 90 -9.285 6.202 8.533 648 H GLY 91 H GLY 91 -5.828 7.428 9.812 649 1HA GLY 91 1HA GLY 91 -4.070 6.221 10.572 650 2HA GLY 91 2HA GLY 91 -5.140 5.246 11.582 651 H MET 92 H MET 92 -5.928 5.414 8.105 652 HA MET 92 HA MET 92 -5.289 2.563 7.949 653 1HB MET 92 1HB MET 92 -7.310 3.497 6.876 654 2HB MET 92 2HB MET 92 -6.259 4.328 5.700 655 1HG MET 92 1HG MET 92 -5.391 2.226 4.888 656 2HG MET 92 2HG MET 92 -6.044 1.345 6.256 657 1HE MET 92 1HE MET 92 -7.704 -0.483 3.419 658 2HE MET 92 2HE MET 92 -6.096 0.267 3.361 659 3HE MET 92 3HE MET 92 -6.650 -0.539 4.843 660 H VAL 93 H VAL 93 -3.090 2.856 8.486 661 HA VAL 93 HA VAL 93 -1.298 3.526 6.205 662 HB VAL 93 HB VAL 93 0.367 4.256 7.728 663 1HG1 VAL 93 1HG1 VAL 93 -0.613 6.266 8.604 664 2HG1 VAL 93 2HG1 VAL 93 -1.476 5.896 7.102 665 3HG1 VAL 93 3HG1 VAL 93 -2.232 5.552 8.663 666 1HG2 VAL 93 1HG2 VAL 93 -1.590 3.524 9.937 667 2HG2 VAL 93 2HG2 VAL 93 -0.039 2.722 9.591 668 3HG2 VAL 93 3HG2 VAL 93 -0.059 4.398 10.165 669 H GLY 94 H GLY 94 0.892 2.319 6.465 670 1HA GLY 94 1HA GLY 94 0.941 -0.123 7.944 671 2HA GLY 94 2HA GLY 94 0.525 -0.444 6.253 672 H LYS 95 H LYS 95 2.827 -1.567 6.884 673 HA LYS 95 HA LYS 95 4.897 0.121 5.625 674 1HB LYS 95 1HB LYS 95 5.316 -1.255 8.323 675 2HB LYS 95 2HB LYS 95 6.558 -0.428 7.365 676 1HG LYS 95 1HG LYS 95 5.238 1.711 7.617 677 2HG LYS 95 2HG LYS 95 4.155 0.848 8.727 678 1HD LYS 95 1HD LYS 95 6.019 0.401 10.256 679 2HD LYS 95 2HD LYS 95 7.172 1.101 9.105 680 1HE LYS 95 1HE LYS 95 6.669 2.699 10.892 681 2HE LYS 95 2HE LYS 95 6.120 3.315 9.326 682 1HZ LYS 95 1HZ LYS 95 4.418 2.012 11.339 683 2HZ LYS 95 2HZ LYS 95 4.506 3.635 11.060 684 3HZ LYS 95 3HZ LYS 95 3.908 2.636 9.898 685 H VAL 96 H VAL 96 6.731 -1.088 4.847 686 HA VAL 96 HA VAL 96 6.466 -4.013 4.913 687 HB VAL 96 HB VAL 96 5.164 -3.576 3.066 688 1HG1 VAL 96 1HG1 VAL 96 7.423 -2.024 1.737 689 2HG1 VAL 96 2HG1 VAL 96 5.799 -2.303 1.091 690 3HG1 VAL 96 3HG1 VAL 96 6.017 -1.234 2.485 691 1HG2 VAL 96 1HG2 VAL 96 6.752 -5.443 2.885 692 2HG2 VAL 96 2HG2 VAL 96 6.272 -4.749 1.321 693 3HG2 VAL 96 3HG2 VAL 96 7.872 -4.381 1.989 694 H THR 97 H THR 97 8.323 -4.920 5.265 695 HA THR 97 HA THR 97 10.841 -3.365 5.099 696 HB THR 97 HB THR 97 10.855 -6.243 5.870 697 HG1 THR 97 HG1 THR 97 9.502 -4.267 7.367 698 1HG2 THR 97 1HG2 THR 97 12.023 -3.821 7.251 699 2HG2 THR 97 2HG2 THR 97 12.381 -5.527 7.568 700 3HG2 THR 97 3HG2 THR 97 12.867 -4.800 6.027 701 H VAL 98 H VAL 98 12.173 -3.534 3.234 702 HA VAL 98 HA VAL 98 11.684 -5.854 1.406 703 HB VAL 98 HB VAL 98 13.099 -3.230 0.869 704 1HG1 VAL 98 1HG1 VAL 98 12.942 -4.030 -1.487 705 2HG1 VAL 98 2HG1 VAL 98 13.860 -5.198 -0.522 706 3HG1 VAL 98 3HG1 VAL 98 12.169 -5.524 -0.940 707 1HG2 VAL 98 1HG2 VAL 98 10.311 -4.263 0.139 708 2HG2 VAL 98 2HG2 VAL 98 10.662 -2.906 1.225 709 3HG2 VAL 98 3HG2 VAL 98 11.061 -2.785 -0.488 710 H ASN 99 H ASN 99 12.730 -7.399 2.446 711 HA ASN 99 HA ASN 99 15.296 -6.946 3.797 712 1HB ASN 99 1HB ASN 99 13.301 -8.212 4.723 713 2HB ASN 99 2HB ASN 99 13.671 -9.508 3.570 714 1HD2 ASN 99 1HD2 ASN 99 15.421 -9.784 7.039 715 2HD2 ASN 99 2HD2 ASN 99 13.806 -9.230 6.672 Start of MODEL 5 Raw file had 715 H/Q atoms Start of MODEL 5 1 H LEU 1 H LEU 1 3.132 -9.570 -2.245 2 HA LEU 1 HA LEU 1 2.203 -11.776 -0.859 3 1HB LEU 1 1HB LEU 1 2.810 -9.392 0.956 4 2HB LEU 1 2HB LEU 1 1.585 -10.602 1.330 5 HG LEU 1 HG LEU 1 3.350 -12.396 1.204 6 1HD1 LEU 1 1HD1 LEU 1 5.161 -11.293 -0.014 7 2HD1 LEU 1 2HD1 LEU 1 5.223 -9.984 1.188 8 3HD1 LEU 1 3HD1 LEU 1 5.713 -11.631 1.626 9 1HD2 LEU 1 1HD2 LEU 1 4.199 -11.880 3.470 10 2HD2 LEU 1 2HD2 LEU 1 3.659 -10.197 3.288 11 3HD2 LEU 1 3HD2 LEU 1 2.472 -11.515 3.321 12 H GLU 2 H GLU 2 -0.095 -11.495 -0.247 13 HA GLU 2 HA GLU 2 -1.432 -9.445 -1.919 14 1HB GLU 2 1HB GLU 2 -1.909 -11.862 -2.289 15 2HB GLU 2 2HB GLU 2 -2.615 -11.925 -0.657 16 1HG GLU 2 1HG GLU 2 -4.206 -10.090 -1.339 17 2HG GLU 2 2HG GLU 2 -3.519 -10.135 -2.972 18 H VAL 3 H VAL 3 -1.435 -7.677 -0.658 19 HA VAL 3 HA VAL 3 -2.162 -7.772 2.191 20 HB VAL 3 HB VAL 3 -1.500 -5.414 0.396 21 1HG1 VAL 3 1HG1 VAL 3 -1.005 -4.286 2.585 22 2HG1 VAL 3 2HG1 VAL 3 -2.711 -4.744 2.443 23 3HG1 VAL 3 3HG1 VAL 3 -1.607 -5.719 3.434 24 1HG2 VAL 3 1HG2 VAL 3 0.432 -6.937 0.483 25 2HG2 VAL 3 2HG2 VAL 3 0.734 -5.470 1.411 26 3HG2 VAL 3 3HG2 VAL 3 0.334 -6.980 2.258 27 H LEU 4 H LEU 4 -4.242 -7.638 2.839 28 HA LEU 4 HA LEU 4 -6.333 -6.879 0.907 29 1HB LEU 4 1HB LEU 4 -6.535 -7.738 3.805 30 2HB LEU 4 2HB LEU 4 -7.871 -7.548 2.681 31 HG LEU 4 HG LEU 4 -5.636 -9.616 2.528 32 1HD1 LEU 4 1HD1 LEU 4 -8.643 -9.864 2.978 33 2HD1 LEU 4 2HD1 LEU 4 -7.478 -11.204 2.921 34 3HD1 LEU 4 3HD1 LEU 4 -7.393 -10.012 4.233 35 1HD2 LEU 4 1HD2 LEU 4 -6.198 -9.038 0.229 36 2HD2 LEU 4 2HD2 LEU 4 -6.972 -10.574 0.621 37 3HD2 LEU 4 3HD2 LEU 4 -7.940 -9.085 0.595 38 H LEU 5 H LEU 5 -7.013 -4.875 0.686 39 HA LEU 5 HA LEU 5 -6.333 -2.759 2.623 40 1HB LEU 5 1HB LEU 5 -7.862 -2.655 0.011 41 2HB LEU 5 2HB LEU 5 -7.301 -1.272 0.942 42 HG LEU 5 HG LEU 5 -5.481 -3.334 -0.395 43 1HD1 LEU 5 1HD1 LEU 5 -6.386 -0.553 -1.252 44 2HD1 LEU 5 2HD1 LEU 5 -5.042 -1.428 -1.997 45 3HD1 LEU 5 3HD1 LEU 5 -6.672 -2.097 -2.088 46 1HD2 LEU 5 1HD2 LEU 5 -4.950 -0.677 1.008 47 2HD2 LEU 5 2HD2 LEU 5 -4.420 -2.301 1.515 48 3HD2 LEU 5 3HD2 LEU 5 -3.754 -1.569 0.050 49 H GLY 6 H GLY 6 -7.592 -3.058 4.431 50 1HA GLY 6 1HA GLY 6 -9.517 -2.401 5.501 51 2HA GLY 6 2HA GLY 6 -10.557 -2.864 4.143 52 H SER 7 H SER 7 -10.829 -3.869 6.967 53 HA SER 7 HA SER 7 -9.936 -6.659 6.798 54 1HB SER 7 1HB SER 7 -10.906 -6.822 9.009 55 2HB SER 7 2HB SER 7 -9.917 -5.362 8.947 56 HG SER 7 HG SER 7 -12.303 -5.401 9.752 57 H GLY 8 H GLY 8 -11.701 -8.208 7.364 58 1HA GLY 8 1HA GLY 8 -13.591 -8.519 5.291 59 2HA GLY 8 2HA GLY 8 -13.676 -9.360 6.851 60 H ASP 9 H ASP 9 -14.006 -7.187 8.595 61 HA ASP 9 HA ASP 9 -16.824 -6.547 8.147 62 1HB ASP 9 1HB ASP 9 -16.853 -5.789 10.397 63 2HB ASP 9 2HB ASP 9 -15.941 -7.300 10.360 64 H GLY 10 H GLY 10 -14.370 -5.175 6.603 65 1HA GLY 10 1HA GLY 10 -14.230 -3.202 5.518 66 2HA GLY 10 2HA GLY 10 -15.740 -2.674 6.262 67 H SER 11 H SER 11 -13.146 -3.643 8.499 68 HA SER 11 HA SER 11 -13.036 -0.903 9.440 69 1HB SER 11 1HB SER 11 -12.748 -2.788 10.979 70 2HB SER 11 2HB SER 11 -11.176 -3.175 10.218 71 HG SER 11 HG SER 11 -11.036 -1.779 12.084 72 H LEU 12 H LEU 12 -11.441 0.564 9.125 73 HA LEU 12 HA LEU 12 -10.054 0.447 6.581 74 1HB LEU 12 1HB LEU 12 -10.112 2.554 8.778 75 2HB LEU 12 2HB LEU 12 -9.565 2.805 7.119 76 HG LEU 12 HG LEU 12 -12.430 2.052 7.896 77 1HD1 LEU 12 1HD1 LEU 12 -11.158 4.705 7.153 78 2HD1 LEU 12 2HD1 LEU 12 -12.912 4.414 7.245 79 3HD1 LEU 12 3HD1 LEU 12 -11.904 4.267 8.695 80 1HD2 LEU 12 1HD2 LEU 12 -12.013 1.227 5.697 81 2HD2 LEU 12 2HD2 LEU 12 -12.878 2.755 5.508 82 3HD2 LEU 12 3HD2 LEU 12 -11.120 2.690 5.244 83 H VAL 13 H VAL 13 -8.784 -1.466 7.376 84 HA VAL 13 HA VAL 13 -6.131 -0.460 8.312 85 HB VAL 13 HB VAL 13 -5.838 -2.545 9.616 86 1HG1 VAL 13 1HG1 VAL 13 -8.226 -0.900 10.559 87 2HG1 VAL 13 2HG1 VAL 13 -7.115 -1.847 11.562 88 3HG1 VAL 13 3HG1 VAL 13 -6.523 -0.414 10.707 89 1HG2 VAL 13 1HG2 VAL 13 -7.763 -3.901 10.280 90 2HG2 VAL 13 2HG2 VAL 13 -8.840 -2.956 9.242 91 3HG2 VAL 13 3HG2 VAL 13 -7.571 -3.969 8.523 92 H PHE 14 H PHE 14 -4.336 -1.548 7.494 93 HA PHE 14 HA PHE 14 -4.754 -3.047 4.961 94 1HB PHE 14 1HB PHE 14 -2.335 -1.863 6.393 95 2HB PHE 14 2HB PHE 14 -2.184 -2.976 5.055 96 HD1 PHE 14 HD1 PHE 14 -3.260 0.442 6.006 97 HD2 PHE 14 HD2 PHE 14 -2.365 -2.274 2.776 98 HE1 PHE 14 HE1 PHE 14 -2.960 2.347 4.438 99 HE2 PHE 14 HE2 PHE 14 -1.963 -0.379 1.296 100 HZ PHE 14 HZ PHE 14 -2.412 1.946 2.060 101 H VAL 15 H VAL 15 -4.615 -5.308 5.002 102 HA VAL 15 HA VAL 15 -3.464 -6.569 7.470 103 HB VAL 15 HB VAL 15 -5.788 -7.583 5.840 104 1HG1 VAL 15 1HG1 VAL 15 -4.550 -8.522 8.464 105 2HG1 VAL 15 2HG1 VAL 15 -6.015 -9.181 7.707 106 3HG1 VAL 15 3HG1 VAL 15 -4.450 -9.372 6.906 107 1HG2 VAL 15 1HG2 VAL 15 -7.117 -7.045 7.877 108 2HG2 VAL 15 2HG2 VAL 15 -5.713 -6.180 8.539 109 3HG2 VAL 15 3HG2 VAL 15 -6.511 -5.606 7.055 110 HA PRO 16 HA PRO 16 -1.597 -7.521 7.970 111 1HB PRO 16 1HB PRO 16 1.078 -7.488 7.542 112 2HB PRO 16 2HB PRO 16 0.127 -8.994 7.573 113 1HG PRO 16 1HG PRO 16 0.959 -7.389 5.130 114 2HG PRO 16 2HG PRO 16 1.184 -9.143 5.404 115 1HD PRO 16 1HD PRO 16 -0.914 -8.185 3.983 116 2HD PRO 16 2HD PRO 16 -1.147 -9.558 5.093 117 H SER 17 H SER 17 -0.484 -5.702 9.013 118 HA SER 17 HA SER 17 -0.729 -3.162 7.572 119 1HB SER 17 1HB SER 17 -0.139 -2.386 9.955 120 2HB SER 17 2HB SER 17 -1.662 -3.283 9.763 121 HG SER 17 HG SER 17 -0.430 -4.128 11.507 122 H GLU 18 H GLU 18 1.627 -4.696 9.693 123 HA GLU 18 HA GLU 18 3.936 -3.457 8.257 124 1HB GLU 18 1HB GLU 18 3.722 -2.987 10.650 125 2HB GLU 18 2HB GLU 18 3.727 -4.725 11.008 126 1HG GLU 18 1HG GLU 18 6.015 -4.943 10.156 127 2HG GLU 18 2HG GLU 18 6.003 -3.269 9.584 128 H PHE 19 H PHE 19 5.159 -4.818 6.935 129 HA PHE 19 HA PHE 19 5.413 -7.652 7.676 130 1HB PHE 19 1HB PHE 19 4.519 -8.599 5.689 131 2HB PHE 19 2HB PHE 19 3.302 -7.574 6.395 132 HD1 PHE 19 HD1 PHE 19 2.874 -5.243 5.396 133 HD2 PHE 19 HD2 PHE 19 5.208 -8.291 3.404 134 HE1 PHE 19 HE1 PHE 19 2.348 -4.237 3.196 135 HE2 PHE 19 HE2 PHE 19 4.713 -7.239 1.224 136 HZ PHE 19 HZ PHE 19 3.307 -5.191 1.124 137 H SER 20 H SER 20 6.574 -8.725 5.477 138 HA SER 20 HA SER 20 8.828 -7.001 4.735 139 1HB SER 20 1HB SER 20 9.174 -9.776 5.959 140 2HB SER 20 2HB SER 20 10.448 -8.613 5.561 141 HG SER 20 HG SER 20 9.136 -7.225 7.164 142 H VAL 21 H VAL 21 9.809 -7.684 2.711 143 HA VAL 21 HA VAL 21 8.636 -10.030 1.420 144 HB VAL 21 HB VAL 21 7.078 -8.178 1.044 145 1HG1 VAL 21 1HG1 VAL 21 9.289 -6.754 -0.507 146 2HG1 VAL 21 2HG1 VAL 21 7.629 -6.221 -0.223 147 3HG1 VAL 21 3HG1 VAL 21 8.777 -6.289 1.126 148 1HG2 VAL 21 1HG2 VAL 21 7.448 -9.938 -0.673 149 2HG2 VAL 21 2HG2 VAL 21 6.906 -8.387 -1.351 150 3HG2 VAL 21 3HG2 VAL 21 8.619 -8.848 -1.463 151 HA PRO 22 HA PRO 22 12.883 -9.954 -0.024 152 1HB PRO 22 1HB PRO 22 12.023 -11.696 -2.290 153 2HB PRO 22 2HB PRO 22 13.294 -11.986 -1.078 154 1HG PRO 22 1HG PRO 22 10.911 -13.319 -0.965 155 2HG PRO 22 2HG PRO 22 11.704 -12.724 0.524 156 1HD PRO 22 1HD PRO 22 9.460 -11.394 -1.025 157 2HD PRO 22 2HD PRO 22 9.607 -11.747 0.720 158 H SER 23 H SER 23 13.992 -8.595 -1.526 159 HA SER 23 HA SER 23 12.788 -6.688 -3.100 160 1HB SER 23 1HB SER 23 15.429 -8.154 -3.493 161 2HB SER 23 2HB SER 23 14.998 -6.679 -4.364 162 HG SER 23 HG SER 23 15.262 -5.526 -2.623 163 H GLY 24 H GLY 24 11.671 -6.679 -5.000 164 1HA GLY 24 1HA GLY 24 11.355 -7.219 -7.260 165 2HA GLY 24 2HA GLY 24 12.238 -8.732 -7.082 166 H GLU 25 H GLU 25 10.451 -9.320 -4.495 167 HA GLU 25 HA GLU 25 8.431 -10.741 -6.016 168 1HB GLU 25 1HB GLU 25 8.922 -10.379 -3.050 169 2HB GLU 25 2HB GLU 25 7.688 -11.424 -3.740 170 1HG GLU 25 1HG GLU 25 10.696 -11.676 -4.241 171 2HG GLU 25 2HG GLU 25 9.745 -12.692 -3.147 172 H LYS 26 H LYS 26 7.148 -9.355 -7.052 173 HA LYS 26 HA LYS 26 6.096 -6.969 -6.468 174 1HB LYS 26 1HB LYS 26 4.047 -7.787 -7.787 175 2HB LYS 26 2HB LYS 26 5.626 -7.553 -8.523 176 1HG LYS 26 1HG LYS 26 4.542 -9.482 -9.331 177 2HG LYS 26 2HG LYS 26 6.074 -9.920 -8.599 178 1HD LYS 26 1HD LYS 26 4.890 -10.801 -6.598 179 2HD LYS 26 2HD LYS 26 3.345 -10.210 -7.231 180 1HE LYS 26 1HE LYS 26 3.573 -12.621 -7.595 181 2HE LYS 26 2HE LYS 26 3.525 -11.772 -9.149 182 1HZ LYS 26 1HZ LYS 26 5.960 -12.707 -7.788 183 2HZ LYS 26 2HZ LYS 26 5.229 -13.450 -9.063 184 3HZ LYS 26 3HZ LYS 26 5.902 -11.961 -9.258 185 H ILE 27 H ILE 27 4.789 -6.015 -5.060 186 HA ILE 27 HA ILE 27 3.288 -7.611 -3.075 187 HB ILE 27 HB ILE 27 3.620 -4.611 -3.375 188 1HG1 ILE 27 1HG1 ILE 27 5.152 -6.443 -1.473 189 2HG1 ILE 27 2HG1 ILE 27 5.822 -5.833 -2.992 190 1HG2 ILE 27 1HG2 ILE 27 2.684 -6.304 -1.017 191 2HG2 ILE 27 2HG2 ILE 27 2.856 -4.535 -1.025 192 3HG2 ILE 27 3HG2 ILE 27 1.642 -5.290 -2.034 193 1HD1 ILE 27 1HD1 ILE 27 5.433 -3.491 -2.228 194 2HD1 ILE 27 2HD1 ILE 27 4.981 -4.122 -0.631 195 3HD1 ILE 27 3HD1 ILE 27 6.606 -4.406 -1.269 196 H VAL 28 H VAL 28 1.052 -7.709 -3.128 197 HA VAL 28 HA VAL 28 -0.397 -6.281 -5.323 198 HB VAL 28 HB VAL 28 -0.925 -9.021 -4.106 199 1HG1 VAL 28 1HG1 VAL 28 -2.347 -7.505 -6.340 200 2HG1 VAL 28 2HG1 VAL 28 -2.650 -9.195 -5.884 201 3HG1 VAL 28 3HG1 VAL 28 -3.025 -7.897 -4.745 202 1HG2 VAL 28 1HG2 VAL 28 1.023 -9.087 -5.607 203 2HG2 VAL 28 2HG2 VAL 28 -0.369 -9.884 -6.350 204 3HG2 VAL 28 3HG2 VAL 28 0.092 -8.252 -6.869 205 H PHE 29 H PHE 29 -1.704 -4.754 -4.469 206 HA PHE 29 HA PHE 29 -2.710 -5.008 -1.653 207 1HB PHE 29 1HB PHE 29 -2.385 -2.619 -3.481 208 2HB PHE 29 2HB PHE 29 -3.155 -2.594 -1.907 209 HD1 PHE 29 HD1 PHE 29 -1.839 -3.079 0.182 210 HD2 PHE 29 HD2 PHE 29 0.020 -2.502 -3.664 211 HE1 PHE 29 HE1 PHE 29 0.291 -2.466 1.309 212 HE2 PHE 29 HE2 PHE 29 2.160 -1.932 -2.516 213 HZ PHE 29 HZ PHE 29 2.289 -1.898 -0.046 214 H LYS 30 H LYS 30 -4.701 -5.973 -1.696 215 HA LYS 30 HA LYS 30 -6.479 -5.595 -4.061 216 1HB LYS 30 1HB LYS 30 -5.678 -7.857 -3.440 217 2HB LYS 30 2HB LYS 30 -6.466 -7.680 -1.869 218 1HG LYS 30 1HG LYS 30 -8.683 -7.488 -2.996 219 2HG LYS 30 2HG LYS 30 -7.861 -7.574 -4.565 220 1HD LYS 30 1HD LYS 30 -7.017 -9.850 -3.996 221 2HD LYS 30 2HD LYS 30 -7.831 -9.749 -2.426 222 1HE LYS 30 1HE LYS 30 -9.188 -11.055 -3.971 223 2HE LYS 30 2HE LYS 30 -10.031 -9.546 -3.584 224 1HZ LYS 30 1HZ LYS 30 -8.452 -10.059 -6.014 225 2HZ LYS 30 2HZ LYS 30 -10.095 -10.058 -5.916 226 3HZ LYS 30 3HZ LYS 30 -9.259 -8.659 -5.682 227 H ASN 31 H ASN 31 -8.353 -4.466 -3.903 228 HA ASN 31 HA ASN 31 -9.213 -3.214 -1.451 229 1HB ASN 31 1HB ASN 31 -10.275 -3.432 -4.254 230 2HB ASN 31 2HB ASN 31 -11.418 -3.093 -2.955 231 1HD2 ASN 31 1HD2 ASN 31 -10.748 0.292 -3.598 232 2HD2 ASN 31 2HD2 ASN 31 -11.813 -1.079 -3.928 233 H ASN 32 H ASN 32 -9.938 -4.321 0.291 234 HA ASN 32 HA ASN 32 -11.270 -6.900 -0.111 235 1HB ASN 32 1HB ASN 32 -9.572 -6.507 1.634 236 2HB ASN 32 2HB ASN 32 -10.671 -5.402 2.456 237 1HD2 ASN 32 1HD2 ASN 32 -11.233 -8.479 4.275 238 2HD2 ASN 32 2HD2 ASN 32 -10.121 -7.104 4.175 239 H ALA 33 H ALA 33 -12.148 -4.135 1.934 240 HA ALA 33 HA ALA 33 -14.963 -4.244 0.958 241 1HB ALA 33 1HB ALA 33 -15.820 -4.545 3.272 242 2HB ALA 33 2HB ALA 33 -14.885 -5.950 2.714 243 3HB ALA 33 3HB ALA 33 -14.152 -4.790 3.835 244 H GLY 34 H GLY 34 -12.945 -2.699 3.466 245 1HA GLY 34 1HA GLY 34 -14.662 -0.410 3.718 246 2HA GLY 34 2HA GLY 34 -13.025 -0.566 4.346 247 H PHE 35 H PHE 35 -13.881 -0.696 0.867 248 HA PHE 35 HA PHE 35 -11.950 1.382 0.203 249 1HB PHE 35 1HB PHE 35 -12.470 0.806 -2.076 250 2HB PHE 35 2HB PHE 35 -12.215 -0.592 -1.103 251 HD1 PHE 35 HD2 PHE 35 -14.940 1.563 -2.512 252 HD2 PHE 35 HD1 PHE 35 -13.774 -2.309 -1.005 253 HE1 PHE 35 HE2 PHE 35 -17.222 0.688 -2.972 254 HE2 PHE 35 HE1 PHE 35 -16.110 -3.101 -1.258 255 HZ PHE 35 HZ PHE 35 -17.823 -1.627 -2.243 256 HA PRO 36 HA PRO 36 -12.497 2.817 -2.195 257 1HB PRO 36 1HB PRO 36 -12.143 5.710 -1.532 258 2HB PRO 36 2HB PRO 36 -12.317 4.970 -3.149 259 1HG PRO 36 1HG PRO 36 -14.414 6.258 -1.988 260 2HG PRO 36 2HG PRO 36 -14.692 4.678 -2.783 261 1HD PRO 36 1HD PRO 36 -14.231 5.200 0.178 262 2HD PRO 36 2HD PRO 36 -15.533 4.259 -0.601 263 H HIS 37 H HIS 37 -10.257 2.825 -2.518 264 HA HIS 37 HA HIS 37 -8.549 3.701 -0.299 265 1HB HIS 37 1HB HIS 37 -8.522 0.867 -1.407 266 2HB HIS 37 2HB HIS 37 -7.407 1.486 -0.201 267 HD2 HIS 37 HD2 HIS 37 -9.969 -0.906 -0.338 268 HE1 HIS 37 HE1 HIS 37 -10.209 0.566 3.634 269 HE2 HIS 37 HE2 HIS 37 -10.623 -1.452 2.093 270 H ASN 38 H ASN 38 -6.211 3.225 -0.842 271 HA ASN 38 HA ASN 38 -5.340 2.836 -3.479 272 1HB ASN 38 1HB ASN 38 -4.632 5.003 -4.102 273 2HB ASN 38 2HB ASN 38 -6.308 5.217 -3.651 274 1HD2 ASN 38 1HD2 ASN 38 -4.044 7.886 -2.126 275 2HD2 ASN 38 2HD2 ASN 38 -4.218 7.279 -3.768 276 H VAL 39 H VAL 39 -2.772 3.535 -3.270 277 HA VAL 39 HA VAL 39 -1.916 3.210 -0.443 278 HB VAL 39 HB VAL 39 -0.914 1.472 -2.738 279 1HG1 VAL 39 1HG1 VAL 39 -0.273 1.515 0.251 280 2HG1 VAL 39 2HG1 VAL 39 0.337 0.340 -0.928 281 3HG1 VAL 39 3HG1 VAL 39 0.822 2.030 -1.052 282 1HG2 VAL 39 1HG2 VAL 39 -1.905 -0.377 -1.294 283 2HG2 VAL 39 2HG2 VAL 39 -2.772 0.871 -0.394 284 3HG2 VAL 39 3HG2 VAL 39 -3.094 0.630 -2.124 285 H VAL 40 H VAL 40 -0.704 4.943 -0.073 286 HA VAL 40 HA VAL 40 1.099 5.925 -2.224 287 HB VAL 40 HB VAL 40 -0.334 7.524 -0.067 288 1HG1 VAL 40 1HG1 VAL 40 1.890 8.470 -0.612 289 2HG1 VAL 40 2HG1 VAL 40 1.511 8.392 -2.345 290 3HG1 VAL 40 3HG1 VAL 40 0.607 9.487 -1.285 291 1HG2 VAL 40 1HG2 VAL 40 -1.914 6.898 -1.793 292 2HG2 VAL 40 2HG2 VAL 40 -1.468 8.590 -2.059 293 3HG2 VAL 40 3HG2 VAL 40 -0.766 7.321 -3.083 294 H PHE 41 H PHE 41 3.186 6.121 -1.660 295 HA PHE 41 HA PHE 41 3.976 4.910 0.913 296 1HB PHE 41 1HB PHE 41 5.413 5.537 -1.650 297 2HB PHE 41 2HB PHE 41 6.273 5.068 -0.198 298 HD1 PHE 41 HD1 PHE 41 5.868 2.895 0.931 299 HD2 PHE 41 HD2 PHE 41 4.025 3.809 -2.835 300 HE1 PHE 41 HE1 PHE 41 5.663 0.462 0.444 301 HE2 PHE 41 HE2 PHE 41 3.590 1.397 -3.211 302 HZ PHE 41 HZ PHE 41 4.463 -0.287 -1.601 303 H ASP 42 H ASP 42 4.930 5.936 2.540 304 HA ASP 42 HA ASP 42 4.724 8.825 2.730 305 1HB ASP 42 1HB ASP 42 4.205 7.474 4.658 306 2HB ASP 42 2HB ASP 42 5.752 6.615 4.521 307 H GLU 43 H GLU 43 6.148 9.845 1.379 308 HA GLU 43 HA GLU 43 8.704 9.208 0.633 309 1HB GLU 43 1HB GLU 43 9.051 11.769 0.510 310 2HB GLU 43 2HB GLU 43 7.858 10.972 -0.509 311 1HG GLU 43 1HG GLU 43 7.007 13.078 0.358 312 2HG GLU 43 2HG GLU 43 6.007 11.743 0.898 313 H ASP 44 H ASP 44 7.822 10.542 3.792 314 HA ASP 44 HA ASP 44 10.474 11.238 4.596 315 1HB ASP 44 1HB ASP 44 8.463 12.136 5.672 316 2HB ASP 44 2HB ASP 44 8.014 10.517 6.238 317 H GLU 45 H GLU 45 8.854 8.093 4.460 318 HA GLU 45 HA GLU 45 11.236 6.852 5.738 319 1HB GLU 45 1HB GLU 45 9.220 7.205 7.311 320 2HB GLU 45 2HB GLU 45 8.435 5.922 6.396 321 1HG GLU 45 1HG GLU 45 11.075 5.767 7.932 322 2HG GLU 45 2HG GLU 45 9.526 5.091 8.448 323 H ILE 46 H ILE 46 11.754 6.635 3.452 324 HA ILE 46 HA ILE 46 11.143 3.966 2.537 325 HB ILE 46 HB ILE 46 10.852 4.761 0.171 326 1HG1 ILE 46 1HG1 ILE 46 10.180 7.450 1.417 327 2HG1 ILE 46 2HG1 ILE 46 11.637 7.095 0.476 328 1HG2 ILE 46 1HG2 ILE 46 8.942 3.938 1.574 329 2HG2 ILE 46 2HG2 ILE 46 8.512 5.625 1.893 330 3HG2 ILE 46 3HG2 ILE 46 8.498 4.988 0.242 331 1HD1 ILE 46 1HD1 ILE 46 8.764 7.107 -0.510 332 2HD1 ILE 46 2HD1 ILE 46 10.126 8.108 -1.052 333 3HD1 ILE 46 3HD1 ILE 46 10.093 6.375 -1.428 334 HA PRO 47 HA PRO 47 15.486 4.540 1.960 335 1HB PRO 47 1HB PRO 47 16.130 2.836 -0.132 336 2HB PRO 47 2HB PRO 47 15.811 2.322 1.548 337 1HG PRO 47 1HG PRO 47 13.929 2.273 -0.800 338 2HG PRO 47 2HG PRO 47 14.162 1.042 0.488 339 1HD PRO 47 1HD PRO 47 12.093 2.855 0.500 340 2HD PRO 47 2HD PRO 47 12.842 2.246 2.002 341 H ALA 48 H ALA 48 16.620 6.130 1.012 342 HA ALA 48 HA ALA 48 15.535 7.938 -0.767 343 1HB ALA 48 1HB ALA 48 18.484 7.371 -0.241 344 2HB ALA 48 2HB ALA 48 17.823 8.862 -0.943 345 3HB ALA 48 3HB ALA 48 17.426 8.424 0.729 346 H GLY 49 H GLY 49 15.705 8.384 -2.941 347 1HA GLY 49 1HA GLY 49 16.623 8.097 -5.124 348 2HA GLY 49 2HA GLY 49 17.035 6.417 -4.763 349 H VAL 50 H VAL 50 14.543 5.656 -3.488 350 HA VAL 50 HA VAL 50 13.008 5.212 -5.930 351 HB VAL 50 HB VAL 50 12.341 4.300 -3.108 352 1HG1 VAL 50 1HG1 VAL 50 11.504 3.407 -5.917 353 2HG1 VAL 50 2HG1 VAL 50 11.062 2.580 -4.416 354 3HG1 VAL 50 3HG1 VAL 50 10.474 4.224 -4.723 355 1HG2 VAL 50 1HG2 VAL 50 14.562 3.427 -3.683 356 2HG2 VAL 50 2HG2 VAL 50 13.361 2.143 -3.856 357 3HG2 VAL 50 3HG2 VAL 50 13.993 2.956 -5.301 358 H ASP 51 H ASP 51 12.185 7.186 -6.549 359 HA ASP 51 HA ASP 51 10.934 9.123 -4.942 360 1HB ASP 51 1HB ASP 51 11.532 9.612 -7.228 361 2HB ASP 51 2HB ASP 51 10.493 8.306 -7.821 362 H ALA 52 H ALA 52 9.224 8.960 -3.688 363 HA ALA 52 HA ALA 52 7.478 6.914 -3.233 364 1HB ALA 52 1HB ALA 52 7.693 8.873 -1.783 365 2HB ALA 52 2HB ALA 52 6.877 9.886 -2.991 366 3HB ALA 52 3HB ALA 52 5.996 8.572 -2.189 367 H VAL 53 H VAL 53 6.975 9.625 -5.528 368 HA VAL 53 HA VAL 53 4.334 8.987 -6.270 369 HB VAL 53 HB VAL 53 6.487 10.333 -7.947 370 1HG1 VAL 53 1HG1 VAL 53 4.587 9.723 -9.364 371 2HG1 VAL 53 2HG1 VAL 53 3.446 10.376 -8.168 372 3HG1 VAL 53 3HG1 VAL 53 4.546 11.456 -9.048 373 1HG2 VAL 53 1HG2 VAL 53 4.416 11.481 -6.018 374 2HG2 VAL 53 2HG2 VAL 53 6.177 11.497 -5.782 375 3HG2 VAL 53 3HG2 VAL 53 5.460 12.436 -7.090 376 H LYS 54 H LYS 54 7.379 7.461 -7.327 377 HA LYS 54 HA LYS 54 6.129 6.190 -9.646 378 1HB LYS 54 1HB LYS 54 8.773 5.634 -8.236 379 2HB LYS 54 2HB LYS 54 8.223 4.890 -9.743 380 1HG LYS 54 1HG LYS 54 8.063 7.124 -10.811 381 2HG LYS 54 2HG LYS 54 8.662 7.877 -9.327 382 1HD LYS 54 1HD LYS 54 10.782 6.560 -9.523 383 2HD LYS 54 2HD LYS 54 10.148 5.781 -10.979 384 1HE LYS 54 1HE LYS 54 11.663 7.546 -11.649 385 2HE LYS 54 2HE LYS 54 10.017 8.006 -12.111 386 1HZ LYS 54 1HZ LYS 54 9.953 9.390 -10.127 387 2HZ LYS 54 2HZ LYS 54 11.495 8.953 -9.751 388 3HZ LYS 54 3HZ LYS 54 11.195 9.812 -11.121 389 H ILE 55 H ILE 55 6.848 5.266 -6.296 390 HA ILE 55 HA ILE 55 5.912 2.504 -6.667 391 HB ILE 55 HB ILE 55 6.228 2.291 -4.282 392 1HG1 ILE 55 1HG1 ILE 55 7.636 5.004 -4.533 393 2HG1 ILE 55 2HG1 ILE 55 6.097 4.716 -3.684 394 1HG2 ILE 55 1HG2 ILE 55 8.625 3.163 -5.929 395 2HG2 ILE 55 2HG2 ILE 55 8.628 2.065 -4.528 396 3HG2 ILE 55 3HG2 ILE 55 7.835 1.570 -6.017 397 1HD1 ILE 55 1HD1 ILE 55 7.364 2.888 -2.425 398 2HD1 ILE 55 2HD1 ILE 55 8.845 3.640 -3.062 399 3HD1 ILE 55 3HD1 ILE 55 7.778 4.585 -2.014 400 H SER 56 H SER 56 4.503 5.550 -5.602 401 HA SER 56 HA SER 56 2.255 4.355 -4.224 402 1HB SER 56 1HB SER 56 2.730 7.130 -5.334 403 2HB SER 56 2HB SER 56 1.397 6.686 -4.268 404 HG SER 56 HG SER 56 4.193 6.618 -3.760 405 H MET 57 H MET 57 0.149 4.089 -4.858 406 HA MET 57 HA MET 57 -0.398 3.496 -7.588 407 1HB MET 57 1HB MET 57 -1.491 2.603 -5.447 408 2HB MET 57 2HB MET 57 -2.427 4.092 -5.382 409 1HG MET 57 1HG MET 57 -2.397 2.064 -7.650 410 2HG MET 57 2HG MET 57 -3.628 2.155 -6.397 411 1HE MET 57 1HE MET 57 -4.124 5.429 -6.355 412 2HE MET 57 2HE MET 57 -5.362 4.137 -6.213 413 3HE MET 57 3HE MET 57 -5.515 5.401 -7.450 414 HA PRO 58 HA PRO 58 -0.722 7.706 -9.204 415 1HB PRO 58 1HB PRO 58 -3.089 6.359 -10.553 416 2HB PRO 58 2HB PRO 58 -2.022 7.631 -11.224 417 1HG PRO 58 1HG PRO 58 -1.482 5.036 -11.758 418 2HG PRO 58 2HG PRO 58 -0.145 6.109 -11.245 419 1HD PRO 58 1HD PRO 58 -1.591 4.029 -9.639 420 2HD PRO 58 2HD PRO 58 0.120 4.531 -9.574 421 H GLU 59 H GLU 59 -1.234 8.976 -7.536 422 HA GLU 59 HA GLU 59 -3.381 8.972 -5.815 423 1HB GLU 59 1HB GLU 59 -1.685 11.349 -6.728 424 2HB GLU 59 2HB GLU 59 -2.748 11.303 -5.324 425 1HG GLU 59 1HG GLU 59 -0.699 10.882 -4.358 426 2HG GLU 59 2HG GLU 59 -1.396 9.268 -4.503 427 H GLU 60 H GLU 60 -3.349 10.273 -9.057 428 HA GLU 60 HA GLU 60 -5.560 12.048 -8.794 429 1HB GLU 60 1HB GLU 60 -3.772 11.615 -10.737 430 2HB GLU 60 2HB GLU 60 -5.034 10.553 -11.372 431 1HG GLU 60 1HG GLU 60 -5.311 13.526 -10.683 432 2HG GLU 60 2HG GLU 60 -5.066 12.868 -12.304 433 H GLU 61 H GLU 61 -5.323 8.543 -9.134 434 HA GLU 61 HA GLU 61 -8.252 8.215 -9.471 435 1HB GLU 61 1HB GLU 61 -5.869 6.324 -9.768 436 2HB GLU 61 2HB GLU 61 -7.556 5.926 -10.095 437 1HG GLU 61 1HG GLU 61 -7.611 7.662 -11.889 438 2HG GLU 61 2HG GLU 61 -5.903 8.017 -11.590 439 H LEU 62 H LEU 62 -9.046 6.197 -8.268 440 HA LEU 62 HA LEU 62 -7.755 5.535 -5.712 441 1HB LEU 62 1HB LEU 62 -10.529 6.778 -5.951 442 2HB LEU 62 2HB LEU 62 -9.938 5.919 -4.527 443 HG LEU 62 HG LEU 62 -8.757 8.519 -5.603 444 1HD1 LEU 62 1HD1 LEU 62 -11.032 8.755 -4.698 445 2HD1 LEU 62 2HD1 LEU 62 -10.530 7.924 -3.207 446 3HD1 LEU 62 3HD1 LEU 62 -9.835 9.507 -3.626 447 1HD2 LEU 62 1HD2 LEU 62 -7.622 8.572 -3.360 448 2HD2 LEU 62 2HD2 LEU 62 -8.181 6.913 -3.059 449 3HD2 LEU 62 3HD2 LEU 62 -7.035 7.259 -4.375 450 H LEU 63 H LEU 63 -8.462 3.462 -5.087 451 HA LEU 63 HA LEU 63 -9.906 1.836 -7.074 452 1HB LEU 63 1HB LEU 63 -8.766 1.107 -4.357 453 2HB LEU 63 2HB LEU 63 -9.329 0.000 -5.619 454 HG LEU 63 HG LEU 63 -6.925 1.865 -5.870 455 1HD1 LEU 63 1HD1 LEU 63 -7.134 -1.120 -5.307 456 2HD1 LEU 63 2HD1 LEU 63 -5.626 -0.215 -5.565 457 3HD1 LEU 63 3HD1 LEU 63 -6.631 0.129 -4.147 458 1HD2 LEU 63 1HD2 LEU 63 -7.887 -0.446 -7.624 459 2HD2 LEU 63 2HD2 LEU 63 -7.903 1.273 -8.082 460 3HD2 LEU 63 3HD2 LEU 63 -6.363 0.437 -7.823 461 H ASN 64 H ASN 64 -12.060 2.590 -6.976 462 HA ASN 64 HA ASN 64 -13.417 2.746 -4.318 463 1HB ASN 64 1HB ASN 64 -15.028 4.196 -5.372 464 2HB ASN 64 2HB ASN 64 -13.390 4.799 -5.598 465 1HD2 ASN 64 1HD2 ASN 64 -15.481 3.407 -8.898 466 2HD2 ASN 64 2HD2 ASN 64 -15.884 2.799 -7.289 467 H ALA 65 H ALA 65 -12.969 0.109 -5.550 468 HA ALA 65 HA ALA 65 -15.759 -0.803 -5.481 469 1HB ALA 65 1HB ALA 65 -13.894 -1.215 -7.867 470 2HB ALA 65 2HB ALA 65 -15.391 -2.124 -7.626 471 3HB ALA 65 3HB ALA 65 -15.451 -0.368 -7.876 472 HA PRO 66 HA PRO 66 -13.563 -4.024 -3.345 473 1HB PRO 66 1HB PRO 66 -15.116 -6.248 -3.640 474 2HB PRO 66 2HB PRO 66 -15.648 -4.842 -2.688 475 1HG PRO 66 1HG PRO 66 -16.329 -5.495 -5.567 476 2HG PRO 66 2HG PRO 66 -17.458 -5.038 -4.257 477 1HD PRO 66 1HD PRO 66 -16.532 -3.233 -6.071 478 2HD PRO 66 2HD PRO 66 -16.788 -2.768 -4.373 479 H GLY 67 H GLY 67 -12.319 -6.057 -3.700 480 1HA GLY 67 1HA GLY 67 -11.292 -7.677 -4.929 481 2HA GLY 67 2HA GLY 67 -12.300 -7.300 -6.324 482 H GLU 68 H GLU 68 -11.596 -4.591 -6.735 483 HA GLU 68 HA GLU 68 -9.557 -4.647 -8.500 484 1HB GLU 68 1HB GLU 68 -10.062 -2.297 -6.626 485 2HB GLU 68 2HB GLU 68 -9.309 -2.236 -8.227 486 1HG GLU 68 1HG GLU 68 -12.217 -2.919 -7.607 487 2HG GLU 68 2HG GLU 68 -11.588 -1.486 -8.416 488 H THR 69 H THR 69 -7.439 -5.040 -8.567 489 HA THR 69 HA THR 69 -5.823 -4.999 -6.085 490 HB THR 69 HB THR 69 -4.359 -6.474 -7.586 491 HG1 THR 69 HG1 THR 69 -5.414 -5.741 -9.522 492 1HG2 THR 69 1HG2 THR 69 -5.698 -8.479 -7.282 493 2HG2 THR 69 2HG2 THR 69 -5.835 -7.436 -5.853 494 3HG2 THR 69 3HG2 THR 69 -7.165 -7.514 -7.038 495 OH TYR 70 OH TYR 70 2.013 1.548 -7.452 496 H TYR 70 H TYR 70 -4.102 -3.663 -5.936 497 HA TYR 70 HA TYR 70 -3.013 -2.325 -8.386 498 1HB TYR 70 1HB TYR 70 -3.660 -0.676 -6.710 499 2HB TYR 70 2HB TYR 70 -2.880 -1.592 -5.433 500 HD1 TYR 70 HD1 TYR 70 -1.801 -0.425 -8.875 501 HD2 TYR 70 HD2 TYR 70 -0.984 -0.414 -4.634 502 HE1 TYR 70 HE1 TYR 70 0.323 0.768 -9.280 503 HE2 TYR 70 HE2 TYR 70 1.130 0.805 -5.054 504 HH TYR 70 HH TYR 70 2.520 1.779 -6.665 505 H VAL 71 H VAL 71 -0.732 -2.704 -8.776 506 HA VAL 71 HA VAL 71 0.563 -4.668 -6.960 507 HB VAL 71 HB VAL 71 0.703 -4.725 -9.996 508 1HG1 VAL 71 1HG1 VAL 71 1.640 -6.650 -7.820 509 2HG1 VAL 71 2HG1 VAL 71 1.724 -6.964 -9.567 510 3HG1 VAL 71 3HG1 VAL 71 2.688 -5.661 -8.862 511 1HG2 VAL 71 1HG2 VAL 71 -0.954 -6.436 -8.091 512 2HG2 VAL 71 2HG2 VAL 71 -1.568 -5.388 -9.387 513 3HG2 VAL 71 3HG2 VAL 71 -0.646 -6.836 -9.793 514 H VAL 72 H VAL 72 2.739 -4.273 -6.546 515 HA VAL 72 HA VAL 72 4.159 -2.279 -8.186 516 HB VAL 72 HB VAL 72 3.026 -0.924 -6.481 517 1HG1 VAL 72 1HG1 VAL 72 2.845 -2.605 -4.671 518 2HG1 VAL 72 2HG1 VAL 72 4.602 -2.507 -4.408 519 3HG1 VAL 72 3HG1 VAL 72 3.584 -1.087 -4.120 520 1HG2 VAL 72 1HG2 VAL 72 4.976 0.273 -5.632 521 2HG2 VAL 72 2HG2 VAL 72 6.027 -1.102 -5.986 522 3HG2 VAL 72 3HG2 VAL 72 5.239 -0.218 -7.314 523 H THR 73 H THR 73 6.402 -2.546 -8.119 524 HA THR 73 HA THR 73 7.366 -5.021 -6.750 525 HB THR 73 HB THR 73 8.419 -3.790 -9.323 526 HG1 THR 73 HG1 THR 73 6.361 -5.664 -8.863 527 1HG2 THR 73 1HG2 THR 73 9.319 -6.069 -9.648 528 2HG2 THR 73 2HG2 THR 73 9.939 -5.359 -8.146 529 3HG2 THR 73 3HG2 THR 73 8.638 -6.572 -8.089 530 H LEU 74 H LEU 74 8.440 -4.329 -4.939 531 HA LEU 74 HA LEU 74 10.180 -1.922 -5.117 532 1HB LEU 74 1HB LEU 74 9.552 -3.657 -2.710 533 2HB LEU 74 2HB LEU 74 10.377 -2.085 -2.762 534 HG LEU 74 HG LEU 74 7.439 -2.608 -3.389 535 1HD1 LEU 74 1HD1 LEU 74 8.088 -2.659 -0.968 536 2HD1 LEU 74 2HD1 LEU 74 8.768 -1.032 -1.140 537 3HD1 LEU 74 3HD1 LEU 74 7.028 -1.294 -1.365 538 1HD2 LEU 74 1HD2 LEU 74 9.045 -0.019 -3.451 539 2HD2 LEU 74 2HD2 LEU 74 8.215 -0.780 -4.826 540 3HD2 LEU 74 3HD2 LEU 74 7.271 -0.107 -3.492 541 H ASP 75 H ASP 75 12.317 -2.126 -5.377 542 HA ASP 75 HA ASP 75 13.570 -4.851 -5.219 543 1HB ASP 75 1HB ASP 75 14.123 -2.497 -7.062 544 2HB ASP 75 2HB ASP 75 15.184 -3.903 -6.888 545 H THR 76 H THR 76 14.209 -1.318 -4.673 546 HA THR 76 HA THR 76 16.749 -1.757 -3.498 547 HB THR 76 HB THR 76 14.829 0.534 -2.913 548 HG1 THR 76 HG1 THR 76 16.457 0.137 -5.202 549 1HG2 THR 76 1HG2 THR 76 16.975 0.593 -1.689 550 2HG2 THR 76 2HG2 THR 76 17.864 0.441 -3.223 551 3HG2 THR 76 3HG2 THR 76 16.881 1.884 -2.900 552 H LYS 77 H LYS 77 17.151 -2.749 -1.597 553 HA LYS 77 HA LYS 77 15.130 -3.581 0.222 554 1HB LYS 77 1HB LYS 77 18.154 -3.388 0.549 555 2HB LYS 77 2HB LYS 77 17.070 -4.264 1.643 556 1HG LYS 77 1HG LYS 77 16.362 -5.755 -0.167 557 2HG LYS 77 2HG LYS 77 17.374 -4.887 -1.334 558 1HD LYS 77 1HD LYS 77 19.380 -5.442 0.158 559 2HD LYS 77 2HD LYS 77 18.309 -6.541 1.043 560 1HE LYS 77 1HE LYS 77 19.021 -6.645 -1.932 561 2HE LYS 77 2HE LYS 77 19.572 -7.766 -0.677 562 1HZ LYS 77 1HZ LYS 77 17.775 -8.674 -1.926 563 2HZ LYS 77 2HZ LYS 77 17.270 -8.423 -0.379 564 3HZ LYS 77 3HZ LYS 77 16.792 -7.399 -1.577 565 H GLY 78 H GLY 78 14.776 -2.982 2.413 566 1HA GLY 78 1HA GLY 78 15.705 -1.184 4.089 567 2HA GLY 78 2HA GLY 78 15.054 -0.060 2.876 568 H THR 79 H THR 79 13.538 0.688 4.489 569 HA THR 79 HA THR 79 11.208 -1.111 4.898 570 HB THR 79 HB THR 79 12.173 1.083 6.776 571 HG1 THR 79 HG1 THR 79 12.658 -1.706 6.755 572 1HG2 THR 79 1HG2 THR 79 10.198 -1.230 7.094 573 2HG2 THR 79 2HG2 THR 79 10.653 -0.065 8.357 574 3HG2 THR 79 3HG2 THR 79 9.769 0.486 6.921 575 OH TYR 80 OH TYR 80 12.279 0.141 -2.257 576 H TYR 80 H TYR 80 9.346 -0.272 4.135 577 HA TYR 80 HA TYR 80 9.315 2.585 3.247 578 1HB TYR 80 1HB TYR 80 8.126 0.117 1.941 579 2HB TYR 80 2HB TYR 80 7.782 1.767 1.467 580 HD1 TYR 80 HD2 TYR 80 10.768 -0.510 1.953 581 HD2 TYR 80 HD1 TYR 80 8.791 2.441 -0.495 582 HE1 TYR 80 HE2 TYR 80 12.433 -0.855 0.195 583 HE2 TYR 80 HE1 TYR 80 10.376 1.954 -2.326 584 HH TYR 80 HH TYR 80 12.927 -0.522 -1.995 585 H SER 81 H SER 81 7.816 3.684 4.421 586 HA SER 81 HA SER 81 5.539 2.179 5.624 587 1HB SER 81 1HB SER 81 6.408 5.063 5.946 588 2HB SER 81 2HB SER 81 5.046 4.287 6.774 589 HG SER 81 HG SER 81 7.771 3.450 6.915 590 H PHE 82 H PHE 82 3.348 2.564 5.013 591 HA PHE 82 HA PHE 82 2.878 4.457 2.810 592 1HB PHE 82 1HB PHE 82 1.658 2.735 1.505 593 2HB PHE 82 2HB PHE 82 3.354 2.481 1.581 594 HD1 PHE 82 HD1 PHE 82 0.123 1.437 3.155 595 HD2 PHE 82 HD2 PHE 82 4.225 0.272 2.380 596 HE1 PHE 82 HE1 PHE 82 -0.254 -0.724 4.266 597 HE2 PHE 82 HE2 PHE 82 3.776 -1.902 3.415 598 HZ PHE 82 HZ PHE 82 1.568 -2.388 4.437 599 OH TYR 83 OH TYR 83 0.816 10.597 1.169 600 H TYR 83 H TYR 83 0.622 4.681 2.303 601 HA TYR 83 HA TYR 83 -1.256 4.134 4.496 602 1HB TYR 83 1HB TYR 83 -1.734 6.486 4.902 603 2HB TYR 83 2HB TYR 83 -0.047 6.140 5.253 604 HD1 TYR 83 HD2 TYR 83 1.768 6.951 3.720 605 HD2 TYR 83 HD1 TYR 83 -2.366 7.978 3.071 606 HE1 TYR 83 HE2 TYR 83 2.457 8.834 2.275 607 HE2 TYR 83 HE1 TYR 83 -1.660 9.937 1.715 608 HH TYR 83 HH TYR 83 1.768 10.675 1.078 609 H CYS 84 H CYS 84 -3.411 4.781 4.106 610 HA CYS 84 HA CYS 84 -4.162 4.790 1.201 611 1HB CYS 84 1HB CYS 84 -5.197 3.004 2.518 612 2HB CYS 84 2HB CYS 84 -5.652 4.176 3.769 613 H SER 85 H SER 85 -4.229 6.849 0.473 614 HA SER 85 HA SER 85 -4.095 9.074 1.908 615 1HB SER 85 1HB SER 85 -5.518 8.972 -0.763 616 2HB SER 85 2HB SER 85 -4.635 10.334 -0.047 617 HG SER 85 HG SER 85 -2.772 8.964 -0.051 618 HA PRO 86 HA PRO 86 -8.680 10.172 2.288 619 1HB PRO 86 1HB PRO 86 -10.698 8.433 1.735 620 2HB PRO 86 2HB PRO 86 -9.876 9.380 0.466 621 1HG PRO 86 1HG PRO 86 -9.245 6.537 1.322 622 2HG PRO 86 2HG PRO 86 -9.602 7.117 -0.335 623 1HD PRO 86 1HD PRO 86 -7.042 6.877 0.466 624 2HD PRO 86 2HD PRO 86 -7.569 8.305 -0.459 625 H HIS 87 H HIS 87 -7.180 7.385 3.647 626 HA HIS 87 HA HIS 87 -9.001 7.571 6.024 627 1HB HIS 87 1HB HIS 87 -7.917 5.055 4.773 628 2HB HIS 87 2HB HIS 87 -8.837 5.138 6.276 629 HD2 HIS 87 HD2 HIS 87 -11.336 6.811 5.614 630 HE1 HIS 87 HE1 HIS 87 -12.075 3.966 2.546 631 HE2 HIS 87 HE2 HIS 87 -13.119 5.758 4.020 632 H GLN 88 H GLN 88 -5.882 8.120 5.022 633 HA GLN 88 HA GLN 88 -4.288 6.846 6.912 634 1HB GLN 88 1HB GLN 88 -2.710 8.616 6.513 635 2HB GLN 88 2HB GLN 88 -3.533 8.199 5.010 636 1HG GLN 88 1HG GLN 88 -5.075 10.218 5.449 637 2HG GLN 88 2HG GLN 88 -3.937 10.672 6.730 638 1HE2 GLN 88 1HE2 GLN 88 -3.077 11.579 2.904 639 2HE2 GLN 88 2HE2 GLN 88 -4.636 10.897 3.392 640 H GLY 89 H GLY 89 -6.270 9.784 7.259 641 1HA GLY 89 1HA GLY 89 -5.545 10.570 9.870 642 2HA GLY 89 2HA GLY 89 -7.102 10.885 9.083 643 H ALA 90 H ALA 90 -7.658 7.932 8.751 644 HA ALA 90 HA ALA 90 -8.728 7.439 11.463 645 1HB ALA 90 1HB ALA 90 -10.219 7.323 9.483 646 2HB ALA 90 2HB ALA 90 -9.225 6.001 8.825 647 3HB ALA 90 3HB ALA 90 -10.108 5.778 10.347 648 H GLY 91 H GLY 91 -5.752 6.984 10.275 649 1HA GLY 91 1HA GLY 91 -4.096 5.668 11.095 650 2HA GLY 91 2HA GLY 91 -5.265 4.626 11.910 651 H MET 92 H MET 92 -5.958 5.118 8.477 652 HA MET 92 HA MET 92 -5.251 2.318 8.071 653 1HB MET 92 1HB MET 92 -7.282 3.309 7.071 654 2HB MET 92 2HB MET 92 -6.250 4.252 5.978 655 1HG MET 92 1HG MET 92 -5.330 2.231 5.004 656 2HG MET 92 2HG MET 92 -5.972 1.241 6.306 657 1HE MET 92 1HE MET 92 -5.951 0.321 3.377 658 2HE MET 92 2HE MET 92 -6.476 -0.572 4.816 659 3HE MET 92 3HE MET 92 -7.530 -0.491 3.395 660 H VAL 93 H VAL 93 -3.058 2.483 8.591 661 HA VAL 93 HA VAL 93 -1.298 3.217 6.320 662 HB VAL 93 HB VAL 93 0.370 4.083 7.800 663 1HG1 VAL 93 1HG1 VAL 93 -0.651 6.111 8.593 664 2HG1 VAL 93 2HG1 VAL 93 -1.488 5.641 7.105 665 3HG1 VAL 93 3HG1 VAL 93 -2.255 5.363 8.680 666 1HG2 VAL 93 1HG2 VAL 93 0.053 2.643 9.764 667 2HG2 VAL 93 2HG2 VAL 93 0.003 4.346 10.233 668 3HG2 VAL 93 3HG2 VAL 93 -1.506 3.422 10.111 669 H GLY 94 H GLY 94 0.905 2.112 6.536 670 1HA GLY 94 1HA GLY 94 1.093 -0.278 8.116 671 2HA GLY 94 2HA GLY 94 0.654 -0.656 6.445 672 H LYS 95 H LYS 95 3.012 -1.677 6.969 673 HA LYS 95 HA LYS 95 4.977 0.075 5.688 674 1HB LYS 95 1HB LYS 95 5.563 -1.310 8.337 675 2HB LYS 95 2HB LYS 95 6.691 -0.332 7.384 676 1HG LYS 95 1HG LYS 95 5.130 1.647 7.775 677 2HG LYS 95 2HG LYS 95 4.242 0.645 8.921 678 1HD LYS 95 1HD LYS 95 7.189 1.436 9.056 679 2HD LYS 95 2HD LYS 95 5.884 2.109 10.030 680 1HE LYS 95 1HE LYS 95 6.938 -0.756 10.140 681 2HE LYS 95 2HE LYS 95 7.144 0.504 11.359 682 1HZ LYS 95 1HZ LYS 95 4.756 0.519 11.650 683 2HZ LYS 95 2HZ LYS 95 4.594 -0.715 10.567 684 3HZ LYS 95 3HZ LYS 95 5.407 -0.958 11.979 685 H VAL 96 H VAL 96 6.708 -1.065 4.712 686 HA VAL 96 HA VAL 96 6.530 -4.022 4.829 687 HB VAL 96 HB VAL 96 5.213 -3.492 2.971 688 1HG1 VAL 96 1HG1 VAL 96 6.112 -1.175 2.439 689 2HG1 VAL 96 2HG1 VAL 96 7.522 -1.976 1.703 690 3HG1 VAL 96 3HG1 VAL 96 5.906 -2.222 1.026 691 1HG2 VAL 96 1HG2 VAL 96 7.910 -4.315 1.904 692 2HG2 VAL 96 2HG2 VAL 96 6.791 -5.392 2.786 693 3HG2 VAL 96 3HG2 VAL 96 6.306 -4.674 1.234 694 H THR 97 H THR 97 8.373 -4.978 4.989 695 HA THR 97 HA THR 97 10.888 -3.404 4.940 696 HB THR 97 HB THR 97 10.608 -6.213 6.006 697 HG1 THR 97 HG1 THR 97 8.935 -4.946 6.949 698 1HG2 THR 97 1HG2 THR 97 12.368 -5.488 7.508 699 2HG2 THR 97 2HG2 THR 97 12.862 -5.186 5.828 700 3HG2 THR 97 3HG2 THR 97 12.308 -3.843 6.853 701 H VAL 98 H VAL 98 11.666 -3.378 2.827 702 HA VAL 98 HA VAL 98 11.413 -5.728 1.118 703 HB VAL 98 HB VAL 98 12.834 -3.095 0.654 704 1HG1 VAL 98 1HG1 VAL 98 12.688 -3.755 -1.734 705 2HG1 VAL 98 2HG1 VAL 98 13.612 -4.969 -0.836 706 3HG1 VAL 98 3HG1 VAL 98 11.927 -5.292 -1.277 707 1HG2 VAL 98 1HG2 VAL 98 10.054 -4.108 -0.133 708 2HG2 VAL 98 2HG2 VAL 98 10.383 -2.811 1.031 709 3HG2 VAL 98 3HG2 VAL 98 10.790 -2.588 -0.668 710 H ASN 99 H ASN 99 12.782 -7.393 1.395 711 HA ASN 99 HA ASN 99 15.608 -6.913 2.283 712 1HB ASN 99 1HB ASN 99 15.400 -8.579 4.011 713 2HB ASN 99 2HB ASN 99 14.157 -7.355 4.290 714 1HD2 ASN 99 1HD2 ASN 99 11.438 -9.605 3.515 715 2HD2 ASN 99 2HD2 ASN 99 11.873 -7.896 3.558 Start of MODEL 6 Raw file had 715 H/Q atoms Start of MODEL 6 1 H LEU 1 H LEU 1 2.238 -12.586 -3.358 2 HA LEU 1 HA LEU 1 1.847 -12.775 -0.525 3 1HB LEU 1 1HB LEU 1 4.219 -12.244 -0.567 4 2HB LEU 1 2HB LEU 1 3.950 -10.927 -1.716 5 HG LEU 1 HG LEU 1 2.675 -9.685 0.058 6 1HD1 LEU 1 1HD1 LEU 1 2.917 -10.430 2.410 7 2HD1 LEU 1 2HD1 LEU 1 1.968 -11.604 1.492 8 3HD1 LEU 1 3HD1 LEU 1 3.671 -11.942 1.866 9 1HD2 LEU 1 1HD2 LEU 1 4.697 -9.127 1.381 10 2HD2 LEU 1 2HD2 LEU 1 5.518 -10.553 0.724 11 3HD2 LEU 1 3HD2 LEU 1 5.028 -9.228 -0.357 12 H GLU 2 H GLU 2 0.413 -11.096 0.156 13 HA GLU 2 HA GLU 2 -0.480 -9.083 -1.758 14 1HB GLU 2 1HB GLU 2 -2.808 -9.829 -1.736 15 2HB GLU 2 2HB GLU 2 -1.767 -11.065 -2.457 16 1HG GLU 2 1HG GLU 2 -1.788 -12.349 -0.333 17 2HG GLU 2 2HG GLU 2 -2.845 -11.130 0.400 18 H VAL 3 H VAL 3 -2.094 -7.658 -0.798 19 HA VAL 3 HA VAL 3 -2.076 -7.573 2.165 20 HB VAL 3 HB VAL 3 -1.539 -5.249 0.277 21 1HG1 VAL 3 1HG1 VAL 3 -2.858 -4.557 2.229 22 2HG1 VAL 3 2HG1 VAL 3 -1.741 -5.410 3.317 23 3HG1 VAL 3 3HG1 VAL 3 -1.188 -3.987 2.414 24 1HG2 VAL 3 1HG2 VAL 3 0.327 -6.572 2.288 25 2HG2 VAL 3 2HG2 VAL 3 0.476 -6.653 0.519 26 3HG2 VAL 3 3HG2 VAL 3 0.654 -5.103 1.345 27 H LEU 4 H LEU 4 -4.188 -7.681 2.746 28 HA LEU 4 HA LEU 4 -6.277 -7.018 0.767 29 1HB LEU 4 1HB LEU 4 -6.534 -7.978 3.631 30 2HB LEU 4 2HB LEU 4 -7.821 -7.831 2.453 31 HG LEU 4 HG LEU 4 -5.490 -9.786 2.404 32 1HD1 LEU 4 1HD1 LEU 4 -7.300 -11.450 2.524 33 2HD1 LEU 4 2HD1 LEU 4 -7.438 -10.302 3.870 34 3HD1 LEU 4 3HD1 LEU 4 -8.518 -10.157 2.466 35 1HD2 LEU 4 1HD2 LEU 4 -5.794 -9.152 0.082 36 2HD2 LEU 4 2HD2 LEU 4 -6.596 -10.706 0.325 37 3HD2 LEU 4 3HD2 LEU 4 -7.568 -9.222 0.242 38 H LEU 5 H LEU 5 -6.979 -5.020 0.538 39 HA LEU 5 HA LEU 5 -6.596 -2.946 2.591 40 1HB LEU 5 1HB LEU 5 -8.076 -2.796 -0.041 41 2HB LEU 5 2HB LEU 5 -7.502 -1.460 0.954 42 HG LEU 5 HG LEU 5 -5.683 -3.445 -0.493 43 1HD1 LEU 5 1HD1 LEU 5 -5.265 -1.546 -2.036 44 2HD1 LEU 5 2HD1 LEU 5 -6.944 -2.084 -2.090 45 3HD1 LEU 5 3HD1 LEU 5 -6.511 -0.602 -1.206 46 1HD2 LEU 5 1HD2 LEU 5 -3.962 -1.708 0.032 47 2HD2 LEU 5 2HD2 LEU 5 -5.161 -0.857 1.028 48 3HD2 LEU 5 3HD2 LEU 5 -4.630 -2.502 1.468 49 H GLY 6 H GLY 6 -7.791 -4.007 4.250 50 1HA GLY 6 1HA GLY 6 -9.921 -3.518 5.334 51 2HA GLY 6 2HA GLY 6 -10.773 -4.168 3.921 52 H SER 7 H SER 7 -10.945 -5.168 6.663 53 HA SER 7 HA SER 7 -9.750 -7.905 6.383 54 1HB SER 7 1HB SER 7 -9.899 -7.901 8.881 55 2HB SER 7 2HB SER 7 -8.908 -6.601 8.174 56 HG SER 7 HG SER 7 -11.566 -6.328 9.132 57 H GLY 8 H GLY 8 -11.955 -7.308 5.011 58 1HA GLY 8 1HA GLY 8 -13.935 -8.368 4.411 59 2HA GLY 8 2HA GLY 8 -13.854 -9.330 5.895 60 H ASP 9 H ASP 9 -13.982 -7.669 7.897 61 HA ASP 9 HA ASP 9 -16.745 -6.820 7.943 62 1HB ASP 9 1HB ASP 9 -16.415 -6.519 10.271 63 2HB ASP 9 2HB ASP 9 -15.476 -7.947 9.825 64 H GLY 10 H GLY 10 -15.185 -5.221 6.085 65 1HA GLY 10 1HA GLY 10 -14.990 -3.067 5.379 66 2HA GLY 10 2HA GLY 10 -16.237 -2.669 6.563 67 H SER 11 H SER 11 -13.529 -3.889 8.257 68 HA SER 11 HA SER 11 -13.037 -1.307 9.364 69 1HB SER 11 1HB SER 11 -12.679 -3.352 10.638 70 2HB SER 11 2HB SER 11 -11.277 -3.757 9.615 71 HG SER 11 HG SER 11 -10.687 -2.651 11.546 72 H LEU 12 H LEU 12 -11.471 0.166 9.042 73 HA LEU 12 HA LEU 12 -10.233 0.253 6.401 74 1HB LEU 12 1HB LEU 12 -10.181 2.200 8.756 75 2HB LEU 12 2HB LEU 12 -9.727 2.568 7.092 76 HG LEU 12 HG LEU 12 -12.542 1.808 8.039 77 1HD1 LEU 12 1HD1 LEU 12 -11.873 3.994 8.855 78 2HD1 LEU 12 2HD1 LEU 12 -11.338 4.478 7.236 79 3HD1 LEU 12 3HD1 LEU 12 -13.061 4.171 7.552 80 1HD2 LEU 12 1HD2 LEU 12 -12.254 1.080 5.744 81 2HD2 LEU 12 2HD2 LEU 12 -13.198 2.571 5.739 82 3HD2 LEU 12 3HD2 LEU 12 -11.475 2.614 5.305 83 H VAL 13 H VAL 13 -8.998 -1.746 7.089 84 HA VAL 13 HA VAL 13 -6.308 -0.857 8.066 85 HB VAL 13 HB VAL 13 -6.053 -2.978 9.277 86 1HG1 VAL 13 1HG1 VAL 13 -6.747 -0.907 10.454 87 2HG1 VAL 13 2HG1 VAL 13 -8.450 -1.373 10.255 88 3HG1 VAL 13 3HG1 VAL 13 -7.362 -2.377 11.229 89 1HG2 VAL 13 1HG2 VAL 13 -7.728 -4.380 8.116 90 2HG2 VAL 13 2HG2 VAL 13 -8.018 -4.346 9.859 91 3HG2 VAL 13 3HG2 VAL 13 -9.038 -3.385 8.778 92 H PHE 14 H PHE 14 -4.550 -1.756 7.186 93 HA PHE 14 HA PHE 14 -4.824 -3.243 4.632 94 1HB PHE 14 1HB PHE 14 -2.483 -2.027 6.177 95 2HB PHE 14 2HB PHE 14 -2.288 -2.988 4.731 96 HD1 PHE 14 HD2 PHE 14 -3.235 0.297 6.080 97 HD2 PHE 14 HD1 PHE 14 -2.637 -2.063 2.519 98 HE1 PHE 14 HE2 PHE 14 -2.913 2.342 4.730 99 HE2 PHE 14 HE1 PHE 14 -2.373 -0.039 1.215 100 HZ PHE 14 HZ PHE 14 -2.616 2.203 2.273 101 H VAL 15 H VAL 15 -4.657 -5.533 4.762 102 HA VAL 15 HA VAL 15 -3.411 -6.664 7.252 103 HB VAL 15 HB VAL 15 -5.533 -7.958 5.552 104 1HG1 VAL 15 1HG1 VAL 15 -4.366 -8.647 8.281 105 2HG1 VAL 15 2HG1 VAL 15 -5.683 -9.506 7.460 106 3HG1 VAL 15 3HG1 VAL 15 -4.057 -9.532 6.771 107 1HG2 VAL 15 1HG2 VAL 15 -7.008 -7.525 7.491 108 2HG2 VAL 15 2HG2 VAL 15 -5.773 -6.446 8.180 109 3HG2 VAL 15 3HG2 VAL 15 -6.561 -6.044 6.632 110 HA PRO 16 HA PRO 16 -1.521 -7.499 7.837 111 1HB PRO 16 1HB PRO 16 1.155 -7.484 7.571 112 2HB PRO 16 2HB PRO 16 0.206 -8.995 7.501 113 1HG PRO 16 1HG PRO 16 1.164 -7.341 5.140 114 2HG PRO 16 2HG PRO 16 1.407 -9.094 5.404 115 1HD PRO 16 1HD PRO 16 -0.623 -8.122 3.880 116 2HD PRO 16 2HD PRO 16 -0.889 -9.531 4.936 117 H SER 17 H SER 17 -0.749 -5.587 8.912 118 HA SER 17 HA SER 17 -0.885 -3.151 7.333 119 1HB SER 17 1HB SER 17 -0.224 -3.279 10.281 120 2HB SER 17 2HB SER 17 -1.133 -2.058 9.372 121 HG SER 17 HG SER 17 -2.638 -3.941 8.966 122 H GLU 18 H GLU 18 1.545 -4.857 9.296 123 HA GLU 18 HA GLU 18 3.751 -3.317 8.025 124 1HB GLU 18 1HB GLU 18 3.463 -2.653 10.369 125 2HB GLU 18 2HB GLU 18 3.541 -4.349 10.886 126 1HG GLU 18 1HG GLU 18 5.849 -4.537 10.154 127 2HG GLU 18 2HG GLU 18 5.786 -2.970 9.341 128 H PHE 19 H PHE 19 5.176 -4.735 6.956 129 HA PHE 19 HA PHE 19 5.352 -7.534 7.769 130 1HB PHE 19 1HB PHE 19 4.496 -8.458 5.674 131 2HB PHE 19 2HB PHE 19 3.263 -7.538 6.489 132 HD1 PHE 19 HD1 PHE 19 2.643 -5.192 5.639 133 HD2 PHE 19 HD2 PHE 19 5.162 -7.915 3.425 134 HE1 PHE 19 HE1 PHE 19 2.059 -4.043 3.542 135 HE2 PHE 19 HE2 PHE 19 4.619 -6.700 1.334 136 HZ PHE 19 HZ PHE 19 3.082 -4.752 1.391 137 H SER 20 H SER 20 6.597 -8.734 5.815 138 HA SER 20 HA SER 20 8.807 -7.019 4.904 139 1HB SER 20 1HB SER 20 10.131 -9.253 5.293 140 2HB SER 20 2HB SER 20 9.774 -8.227 6.694 141 HG SER 20 HG SER 20 9.219 -10.422 7.079 142 H VAL 21 H VAL 21 9.756 -7.694 2.874 143 HA VAL 21 HA VAL 21 8.356 -9.812 1.402 144 HB VAL 21 HB VAL 21 7.050 -7.833 0.975 145 1HG1 VAL 21 1HG1 VAL 21 7.898 -5.838 -0.078 146 2HG1 VAL 21 2HG1 VAL 21 8.825 -6.088 1.409 147 3HG1 VAL 21 3HG1 VAL 21 9.535 -6.492 -0.170 148 1HG2 VAL 21 1HG2 VAL 21 8.820 -8.440 -1.410 149 2HG2 VAL 21 2HG2 VAL 21 7.476 -9.468 -0.858 150 3HG2 VAL 21 3HG2 VAL 21 7.160 -7.825 -1.453 151 HA PRO 22 HA PRO 22 12.698 -10.251 0.272 152 1HB PRO 22 1HB PRO 22 11.749 -11.842 -2.072 153 2HB PRO 22 2HB PRO 22 12.911 -12.306 -0.807 154 1HG PRO 22 1HG PRO 22 10.385 -13.345 -0.829 155 2HG PRO 22 2HG PRO 22 11.168 -12.869 0.703 156 1HD PRO 22 1HD PRO 22 9.166 -11.260 -0.913 157 2HD PRO 22 2HD PRO 22 9.204 -11.647 0.832 158 H SER 23 H SER 23 13.976 -8.988 -1.050 159 HA SER 23 HA SER 23 13.034 -6.894 -2.615 160 1HB SER 23 1HB SER 23 15.666 -8.390 -2.946 161 2HB SER 23 2HB SER 23 15.329 -6.744 -3.511 162 HG SER 23 HG SER 23 15.053 -7.529 -0.795 163 H GLY 24 H GLY 24 11.996 -6.790 -4.532 164 1HA GLY 24 1HA GLY 24 11.897 -7.138 -6.858 165 2HA GLY 24 2HA GLY 24 12.715 -8.689 -6.716 166 H GLU 25 H GLU 25 10.595 -9.196 -4.275 167 HA GLU 25 HA GLU 25 8.807 -10.636 -6.019 168 1HB GLU 25 1HB GLU 25 8.904 -10.115 -3.035 169 2HB GLU 25 2HB GLU 25 7.604 -11.037 -3.760 170 1HG GLU 25 1HG GLU 25 10.559 -11.732 -4.047 171 2HG GLU 25 2HG GLU 25 9.443 -12.486 -2.895 172 H LYS 26 H LYS 26 6.421 -10.520 -5.726 173 HA LYS 26 HA LYS 26 5.499 -7.795 -6.359 174 1HB LYS 26 1HB LYS 26 4.315 -10.580 -6.668 175 2HB LYS 26 2HB LYS 26 3.502 -9.083 -7.137 176 1HG LYS 26 1HG LYS 26 5.309 -8.535 -8.712 177 2HG LYS 26 2HG LYS 26 6.209 -9.983 -8.231 178 1HD LYS 26 1HD LYS 26 4.342 -11.419 -9.032 179 2HD LYS 26 2HD LYS 26 3.453 -9.968 -9.546 180 1HE LYS 26 1HE LYS 26 5.301 -9.382 -11.101 181 2HE LYS 26 2HE LYS 26 6.209 -10.811 -10.571 182 1HZ LYS 26 1HZ LYS 26 5.040 -11.207 -12.597 183 2HZ LYS 26 2HZ LYS 26 4.440 -12.174 -11.407 184 3HZ LYS 26 3HZ LYS 26 3.591 -10.849 -11.900 185 H ILE 27 H ILE 27 3.837 -6.792 -5.350 186 HA ILE 27 HA ILE 27 2.705 -7.927 -2.840 187 HB ILE 27 HB ILE 27 3.215 -4.997 -3.430 188 1HG1 ILE 27 1HG1 ILE 27 4.926 -6.805 -1.662 189 2HG1 ILE 27 2HG1 ILE 27 5.421 -6.155 -3.235 190 1HG2 ILE 27 1HG2 ILE 27 2.680 -4.698 -1.051 191 2HG2 ILE 27 2HG2 ILE 27 1.380 -5.572 -1.844 192 3HG2 ILE 27 3HG2 ILE 27 2.550 -6.455 -0.839 193 1HD1 ILE 27 1HD1 ILE 27 5.122 -3.835 -2.361 194 2HD1 ILE 27 2HD1 ILE 27 4.870 -4.525 -0.741 195 3HD1 ILE 27 3HD1 ILE 27 6.407 -4.774 -1.581 196 H VAL 28 H VAL 28 0.562 -8.048 -3.067 197 HA VAL 28 HA VAL 28 -0.836 -6.686 -5.341 198 HB VAL 28 HB VAL 28 -1.461 -9.305 -3.933 199 1HG1 VAL 28 1HG1 VAL 28 -3.102 -9.612 -5.774 200 2HG1 VAL 28 2HG1 VAL 28 -3.514 -8.231 -4.752 201 3HG1 VAL 28 3HG1 VAL 28 -2.756 -7.967 -6.335 202 1HG2 VAL 28 1HG2 VAL 28 -0.331 -8.801 -6.709 203 2HG2 VAL 28 2HG2 VAL 28 0.548 -9.526 -5.349 204 3HG2 VAL 28 3HG2 VAL 28 -0.830 -10.371 -6.056 205 H PHE 29 H PHE 29 -1.483 -4.787 -4.303 206 HA PHE 29 HA PHE 29 -2.789 -4.901 -1.661 207 1HB PHE 29 1HB PHE 29 -2.392 -2.672 -3.654 208 2HB PHE 29 2HB PHE 29 -3.177 -2.485 -2.099 209 HD1 PHE 29 HD1 PHE 29 -1.869 -2.816 0.034 210 HD2 PHE 29 HD2 PHE 29 0.006 -2.689 -3.848 211 HE1 PHE 29 HE1 PHE 29 0.292 -2.211 1.101 212 HE2 PHE 29 HE2 PHE 29 2.189 -2.185 -2.746 213 HZ PHE 29 HZ PHE 29 2.327 -1.915 -0.310 214 H LYS 30 H LYS 30 -4.643 -6.123 -1.835 215 HA LYS 30 HA LYS 30 -6.461 -5.829 -4.153 216 1HB LYS 30 1HB LYS 30 -5.649 -8.029 -3.341 217 2HB LYS 30 2HB LYS 30 -6.474 -7.742 -1.805 218 1HG LYS 30 1HG LYS 30 -8.663 -7.674 -2.985 219 2HG LYS 30 2HG LYS 30 -7.812 -7.862 -4.528 220 1HD LYS 30 1HD LYS 30 -6.982 -10.079 -3.851 221 2HD LYS 30 2HD LYS 30 -7.746 -9.899 -2.265 222 1HE LYS 30 1HE LYS 30 -9.140 -11.292 -3.728 223 2HE LYS 30 2HE LYS 30 -9.984 -9.785 -3.336 224 1HZ LYS 30 1HZ LYS 30 -8.515 -10.323 -5.826 225 2HZ LYS 30 2HZ LYS 30 -10.152 -10.345 -5.649 226 3HZ LYS 30 3HZ LYS 30 -9.326 -8.933 -5.472 227 H ASN 31 H ASN 31 -8.342 -4.663 -4.118 228 HA ASN 31 HA ASN 31 -9.226 -3.332 -1.702 229 1HB ASN 31 1HB ASN 31 -10.026 -3.384 -4.552 230 2HB ASN 31 2HB ASN 31 -11.408 -3.330 -3.475 231 1HD2 ASN 31 1HD2 ASN 31 -11.034 0.155 -3.850 232 2HD2 ASN 31 2HD2 ASN 31 -11.804 -1.268 -4.539 233 H ASN 32 H ASN 32 -9.589 -4.759 -0.073 234 HA ASN 32 HA ASN 32 -11.295 -7.114 -0.420 235 1HB ASN 32 1HB ASN 32 -9.451 -7.251 1.059 236 2HB ASN 32 2HB ASN 32 -9.934 -5.846 1.968 237 1HD2 ASN 32 1HD2 ASN 32 -11.658 -9.391 2.930 238 2HD2 ASN 32 2HD2 ASN 32 -10.524 -9.284 1.602 239 H ALA 33 H ALA 33 -11.456 -4.349 1.788 240 HA ALA 33 HA ALA 33 -14.303 -3.851 1.249 241 1HB ALA 33 1HB ALA 33 -14.381 -5.914 2.694 242 2HB ALA 33 2HB ALA 33 -13.510 -5.018 3.956 243 3HB ALA 33 3HB ALA 33 -15.137 -4.509 3.453 244 H GLY 34 H GLY 34 -15.164 -2.125 2.825 245 1HA GLY 34 1HA GLY 34 -14.914 -0.088 3.866 246 2HA GLY 34 2HA GLY 34 -13.306 -0.600 4.401 247 H PHE 35 H PHE 35 -13.893 -0.753 0.985 248 HA PHE 35 HA PHE 35 -11.938 1.287 0.325 249 1HB PHE 35 1HB PHE 35 -12.389 0.533 -1.978 250 2HB PHE 35 2HB PHE 35 -12.051 -0.735 -0.868 251 HD1 PHE 35 HD1 PHE 35 -14.841 1.025 -2.593 252 HD2 PHE 35 HD2 PHE 35 -13.419 -2.604 -0.751 253 HE1 PHE 35 HE1 PHE 35 -16.941 -0.141 -3.249 254 HE2 PHE 35 HE2 PHE 35 -15.573 -3.725 -1.270 255 HZ PHE 35 HZ PHE 35 -17.345 -2.490 -2.501 256 HA PRO 36 HA PRO 36 -12.332 2.520 -2.176 257 1HB PRO 36 1HB PRO 36 -11.721 5.070 -2.708 258 2HB PRO 36 2HB PRO 36 -13.268 4.362 -3.200 259 1HG PRO 36 1HG PRO 36 -12.806 5.958 -0.671 260 2HG PRO 36 2HG PRO 36 -14.044 6.239 -1.938 261 1HD PRO 36 1HD PRO 36 -14.639 4.770 0.264 262 2HD PRO 36 2HD PRO 36 -15.222 4.237 -1.338 263 H HIS 37 H HIS 37 -10.079 2.761 -2.472 264 HA HIS 37 HA HIS 37 -8.517 3.817 -0.222 265 1HB HIS 37 1HB HIS 37 -8.285 0.949 -1.217 266 2HB HIS 37 2HB HIS 37 -7.271 1.669 0.025 267 HD2 HIS 37 HD2 HIS 37 -9.775 -0.820 -0.216 268 HE1 HIS 37 HE1 HIS 37 -10.356 0.725 3.679 269 HE2 HIS 37 HE2 HIS 37 -10.710 -1.279 2.150 270 H ASN 38 H ASN 38 -6.114 3.534 -0.674 271 HA ASN 38 HA ASN 38 -5.231 3.093 -3.329 272 1HB ASN 38 1HB ASN 38 -4.463 5.274 -3.893 273 2HB ASN 38 2HB ASN 38 -6.182 5.436 -3.545 274 1HD2 ASN 38 1HD2 ASN 38 -4.618 8.340 -1.951 275 2HD2 ASN 38 2HD2 ASN 38 -5.062 7.796 -3.573 276 H VAL 39 H VAL 39 -2.698 3.792 -3.151 277 HA VAL 39 HA VAL 39 -1.751 3.321 -0.368 278 HB VAL 39 HB VAL 39 -0.727 1.796 -2.804 279 1HG1 VAL 39 1HG1 VAL 39 -0.227 1.447 0.186 280 2HG1 VAL 39 2HG1 VAL 39 0.492 0.497 -1.128 281 3HG1 VAL 39 3HG1 VAL 39 0.906 2.205 -0.952 282 1HG2 VAL 39 1HG2 VAL 39 -2.906 0.878 -2.417 283 2HG2 VAL 39 2HG2 VAL 39 -1.767 -0.201 -1.604 284 3HG2 VAL 39 3HG2 VAL 39 -2.710 0.956 -0.658 285 H VAL 40 H VAL 40 -0.761 5.245 -0.029 286 HA VAL 40 HA VAL 40 1.033 6.320 -2.160 287 HB VAL 40 HB VAL 40 -0.346 7.781 0.128 288 1HG1 VAL 40 1HG1 VAL 40 1.374 8.773 -2.200 289 2HG1 VAL 40 2HG1 VAL 40 0.490 9.814 -1.070 290 3HG1 VAL 40 3HG1 VAL 40 1.820 8.807 -0.482 291 1HG2 VAL 40 1HG2 VAL 40 -1.620 8.914 -1.717 292 2HG2 VAL 40 2HG2 VAL 40 -0.935 7.746 -2.860 293 3HG2 VAL 40 3HG2 VAL 40 -2.011 7.194 -1.561 294 H PHE 41 H PHE 41 3.179 6.465 -1.629 295 HA PHE 41 HA PHE 41 4.002 5.375 1.003 296 1HB PHE 41 1HB PHE 41 5.418 5.765 -1.627 297 2HB PHE 41 2HB PHE 41 6.254 5.357 -0.147 298 HD1 PHE 41 HD1 PHE 41 3.640 4.120 -2.489 299 HD2 PHE 41 HD2 PHE 41 6.239 3.180 0.783 300 HE1 PHE 41 HE1 PHE 41 3.043 1.713 -2.720 301 HE2 PHE 41 HE2 PHE 41 5.826 0.746 0.421 302 HZ PHE 41 HZ PHE 41 4.174 0.018 -1.293 303 H ASP 42 H ASP 42 5.211 6.525 2.460 304 HA ASP 42 HA ASP 42 5.132 9.437 2.257 305 1HB ASP 42 1HB ASP 42 4.845 8.305 4.407 306 2HB ASP 42 2HB ASP 42 6.445 7.569 4.254 307 H GLU 43 H GLU 43 6.458 10.360 0.799 308 HA GLU 43 HA GLU 43 8.600 9.355 -0.517 309 1HB GLU 43 1HB GLU 43 9.195 11.693 -1.062 310 2HB GLU 43 2HB GLU 43 7.477 11.320 -1.251 311 1HG GLU 43 1HG GLU 43 6.978 12.435 0.924 312 2HG GLU 43 2HG GLU 43 8.702 12.782 1.136 313 H ASP 44 H ASP 44 8.859 10.673 2.753 314 HA ASP 44 HA ASP 44 11.807 10.742 2.591 315 1HB ASP 44 1HB ASP 44 10.686 12.455 3.901 316 2HB ASP 44 2HB ASP 44 9.876 11.231 4.892 317 H GLU 45 H GLU 45 9.267 8.876 4.287 318 HA GLU 45 HA GLU 45 11.201 7.044 5.476 319 1HB GLU 45 1HB GLU 45 8.188 7.018 5.466 320 2HB GLU 45 2HB GLU 45 9.233 6.025 6.492 321 1HG GLU 45 1HG GLU 45 10.114 8.031 7.599 322 2HG GLU 45 2HG GLU 45 9.142 9.085 6.571 323 H ILE 46 H ILE 46 11.813 6.777 3.008 324 HA ILE 46 HA ILE 46 11.221 4.009 2.354 325 HB ILE 46 HB ILE 46 10.887 4.531 -0.071 326 1HG1 ILE 46 1HG1 ILE 46 10.310 7.368 0.844 327 2HG1 ILE 46 2HG1 ILE 46 11.779 6.879 -0.004 328 1HG2 ILE 46 1HG2 ILE 46 8.974 3.967 1.459 329 2HG2 ILE 46 2HG2 ILE 46 8.623 5.692 1.579 330 3HG2 ILE 46 3HG2 ILE 46 8.542 4.873 0.016 331 1HD1 ILE 46 1HD1 ILE 46 8.957 6.813 -1.111 332 2HD1 ILE 46 2HD1 ILE 46 10.333 7.800 -1.636 333 3HD1 ILE 46 3HD1 ILE 46 10.355 6.050 -1.907 334 HA PRO 47 HA PRO 47 15.558 4.180 1.587 335 1HB PRO 47 1HB PRO 47 15.085 2.876 -1.094 336 2HB PRO 47 2HB PRO 47 16.282 2.451 0.161 337 1HG PRO 47 1HG PRO 47 14.028 1.000 -0.093 338 2HG PRO 47 2HG PRO 47 14.569 1.497 1.535 339 1HD PRO 47 1HD PRO 47 12.424 2.812 -0.154 340 2HD PRO 47 2HD PRO 47 12.400 2.356 1.576 341 H ALA 48 H ALA 48 16.438 6.141 1.177 342 HA ALA 48 HA ALA 48 15.545 8.090 -0.583 343 1HB ALA 48 1HB ALA 48 18.360 7.667 0.500 344 2HB ALA 48 2HB ALA 48 17.731 9.169 -0.211 345 3HB ALA 48 3HB ALA 48 17.035 8.545 1.300 346 H GLY 49 H GLY 49 15.312 7.826 -2.709 347 1HA GLY 49 1HA GLY 49 16.848 7.987 -4.780 348 2HA GLY 49 2HA GLY 49 17.334 6.340 -4.336 349 H VAL 50 H VAL 50 14.584 5.673 -3.252 350 HA VAL 50 HA VAL 50 13.523 4.755 -5.799 351 HB VAL 50 HB VAL 50 12.391 4.548 -2.981 352 1HG1 VAL 50 1HG1 VAL 50 11.061 2.662 -4.049 353 2HG1 VAL 50 2HG1 VAL 50 10.586 4.269 -4.610 354 3HG1 VAL 50 3HG1 VAL 50 11.611 3.234 -5.626 355 1HG2 VAL 50 1HG2 VAL 50 13.240 2.269 -3.042 356 2HG2 VAL 50 2HG2 VAL 50 13.872 2.496 -4.689 357 3HG2 VAL 50 3HG2 VAL 50 14.593 3.373 -3.327 358 H ASP 51 H ASP 51 12.202 5.899 -7.091 359 HA ASP 51 HA ASP 51 11.155 8.463 -6.394 360 1HB ASP 51 1HB ASP 51 11.659 7.971 -8.694 361 2HB ASP 51 2HB ASP 51 10.583 6.561 -8.693 362 H ALA 52 H ALA 52 9.687 8.590 -4.781 363 HA ALA 52 HA ALA 52 7.862 6.759 -3.846 364 1HB ALA 52 1HB ALA 52 6.656 8.579 -2.840 365 2HB ALA 52 2HB ALA 52 8.403 8.883 -2.746 366 3HB ALA 52 3HB ALA 52 7.418 9.757 -3.941 367 H VAL 53 H VAL 53 7.449 9.022 -6.587 368 HA VAL 53 HA VAL 53 4.666 8.606 -6.966 369 HB VAL 53 HB VAL 53 6.758 9.390 -9.035 370 1HG1 VAL 53 1HG1 VAL 53 4.648 8.803 -10.122 371 2HG1 VAL 53 2HG1 VAL 53 3.740 9.790 -8.956 372 3HG1 VAL 53 3HG1 VAL 53 4.839 10.556 -10.120 373 1HG2 VAL 53 1HG2 VAL 53 5.079 11.096 -7.137 374 2HG2 VAL 53 2HG2 VAL 53 6.848 10.929 -7.098 375 3HG2 VAL 53 3HG2 VAL 53 6.073 11.720 -8.469 376 H LYS 54 H LYS 54 7.449 6.567 -7.906 377 HA LYS 54 HA LYS 54 5.841 5.132 -9.870 378 1HB LYS 54 1HB LYS 54 7.684 4.101 -10.539 379 2HB LYS 54 2HB LYS 54 8.425 5.485 -9.772 380 1HG LYS 54 1HG LYS 54 9.745 3.710 -9.156 381 2HG LYS 54 2HG LYS 54 8.789 3.964 -7.699 382 1HD LYS 54 1HD LYS 54 7.539 1.940 -8.071 383 2HD LYS 54 2HD LYS 54 7.877 1.952 -9.802 384 1HE LYS 54 1HE LYS 54 9.107 0.165 -8.657 385 2HE LYS 54 2HE LYS 54 10.206 1.331 -9.410 386 1HZ LYS 54 1HZ LYS 54 10.465 2.348 -7.241 387 2HZ LYS 54 2HZ LYS 54 9.488 1.204 -6.565 388 3HZ LYS 54 3HZ LYS 54 10.927 0.766 -7.233 389 H ILE 55 H ILE 55 6.623 4.767 -6.473 390 HA ILE 55 HA ILE 55 5.396 2.090 -6.260 391 HB ILE 55 HB ILE 55 5.859 2.250 -3.923 392 1HG1 ILE 55 1HG1 ILE 55 7.392 4.780 -4.684 393 2HG1 ILE 55 2HG1 ILE 55 5.933 4.716 -3.659 394 1HG2 ILE 55 1HG2 ILE 55 8.290 2.708 -5.669 395 2HG2 ILE 55 2HG2 ILE 55 8.181 1.746 -4.182 396 3HG2 ILE 55 3HG2 ILE 55 7.358 1.188 -5.634 397 1HD1 ILE 55 1HD1 ILE 55 7.734 4.737 -2.143 398 2HD1 ILE 55 2HD1 ILE 55 7.245 3.016 -2.273 399 3HD1 ILE 55 3HD1 ILE 55 8.686 3.607 -3.130 400 H SER 56 H SER 56 4.518 5.461 -5.624 401 HA SER 56 HA SER 56 2.152 4.757 -4.071 402 1HB SER 56 1HB SER 56 3.111 7.401 -5.192 403 2HB SER 56 2HB SER 56 1.820 7.194 -4.015 404 HG SER 56 HG SER 56 4.590 6.678 -3.771 405 H MET 57 H MET 57 0.074 4.663 -4.725 406 HA MET 57 HA MET 57 -0.695 4.916 -7.515 407 1HB MET 57 1HB MET 57 -2.162 4.784 -4.851 408 2HB MET 57 2HB MET 57 -3.041 5.099 -6.341 409 1HG MET 57 1HG MET 57 -1.245 2.689 -5.934 410 2HG MET 57 2HG MET 57 -2.983 2.667 -5.633 411 1HE MET 57 1HE MET 57 -4.837 2.874 -7.453 412 2HE MET 57 2HE MET 57 -4.516 3.015 -9.195 413 3HE MET 57 3HE MET 57 -4.186 4.391 -8.128 414 HA PRO 58 HA PRO 58 -0.539 9.443 -7.390 415 1HB PRO 58 1HB PRO 58 -2.953 9.209 -9.209 416 2HB PRO 58 2HB PRO 58 -1.542 10.293 -9.368 417 1HG PRO 58 1HG PRO 58 -1.694 8.030 -10.857 418 2HG PRO 58 2HG PRO 58 -0.152 8.454 -10.053 419 1HD PRO 58 1HD PRO 58 -2.227 6.441 -9.141 420 2HD PRO 58 2HD PRO 58 -0.440 6.318 -9.185 421 H GLU 59 H GLU 59 -1.263 10.340 -5.519 422 HA GLU 59 HA GLU 59 -3.149 9.592 -3.815 423 1HB GLU 59 1HB GLU 59 -3.043 11.746 -2.770 424 2HB GLU 59 2HB GLU 59 -1.455 11.283 -3.374 425 1HG GLU 59 1HG GLU 59 -3.347 13.371 -4.545 426 2HG GLU 59 2HG GLU 59 -1.785 13.637 -3.777 427 H GLU 60 H GLU 60 -3.930 11.797 -6.471 428 HA GLU 60 HA GLU 60 -6.566 12.415 -5.706 429 1HB GLU 60 1HB GLU 60 -5.112 13.585 -7.405 430 2HB GLU 60 2HB GLU 60 -5.329 12.206 -8.493 431 1HG GLU 60 1HG GLU 60 -6.795 14.034 -9.111 432 2HG GLU 60 2HG GLU 60 -7.751 12.645 -8.584 433 H GLU 61 H GLU 61 -5.253 9.664 -7.511 434 HA GLU 61 HA GLU 61 -7.873 8.638 -8.263 435 1HB GLU 61 1HB GLU 61 -5.066 7.461 -8.520 436 2HB GLU 61 2HB GLU 61 -6.533 6.858 -9.293 437 1HG GLU 61 1HG GLU 61 -5.222 9.564 -9.799 438 2HG GLU 61 2HG GLU 61 -5.210 8.176 -10.890 439 H LEU 62 H LEU 62 -8.647 6.580 -7.645 440 HA LEU 62 HA LEU 62 -7.535 5.272 -5.310 441 1HB LEU 62 1HB LEU 62 -9.249 5.604 -3.801 442 2HB LEU 62 2HB LEU 62 -8.576 7.153 -4.280 443 HG LEU 62 HG LEU 62 -11.293 5.981 -4.982 444 1HD1 LEU 62 1HD1 LEU 62 -10.360 8.558 -3.660 445 2HD1 LEU 62 2HD1 LEU 62 -12.027 7.919 -3.680 446 3HD1 LEU 62 3HD1 LEU 62 -10.742 7.082 -2.769 447 1HD2 LEU 62 1HD2 LEU 62 -10.020 8.514 -6.126 448 2HD2 LEU 62 2HD2 LEU 62 -10.657 7.124 -7.045 449 3HD2 LEU 62 3HD2 LEU 62 -11.758 8.161 -6.145 450 H LEU 63 H LEU 63 -8.296 3.271 -4.965 451 HA LEU 63 HA LEU 63 -9.590 1.828 -7.127 452 1HB LEU 63 1HB LEU 63 -8.793 0.959 -4.334 453 2HB LEU 63 2HB LEU 63 -9.167 -0.094 -5.707 454 HG LEU 63 HG LEU 63 -6.800 1.843 -5.603 455 1HD1 LEU 63 1HD1 LEU 63 -5.472 -0.172 -5.120 456 2HD1 LEU 63 2HD1 LEU 63 -6.670 0.140 -3.848 457 3HD1 LEU 63 3HD1 LEU 63 -6.969 -1.135 -5.049 458 1HD2 LEU 63 1HD2 LEU 63 -7.326 -0.546 -7.429 459 2HD2 LEU 63 2HD2 LEU 63 -7.513 1.155 -7.925 460 3HD2 LEU 63 3HD2 LEU 63 -5.922 0.525 -7.464 461 H ASN 64 H ASN 64 -11.771 2.489 -7.235 462 HA ASN 64 HA ASN 64 -13.323 2.798 -4.732 463 1HB ASN 64 1HB ASN 64 -13.186 4.465 -6.777 464 2HB ASN 64 2HB ASN 64 -14.445 3.426 -7.448 465 1HD2 ASN 64 1HD2 ASN 64 -16.653 4.338 -4.535 466 2HD2 ASN 64 2HD2 ASN 64 -16.053 2.824 -5.194 467 H ALA 65 H ALA 65 -13.023 0.481 -7.345 468 HA ALA 65 HA ALA 65 -15.684 -0.682 -6.732 469 1HB ALA 65 1HB ALA 65 -15.068 -0.456 -9.086 470 2HB ALA 65 2HB ALA 65 -13.590 -1.397 -8.823 471 3HB ALA 65 3HB ALA 65 -15.161 -2.172 -8.653 472 HA PRO 66 HA PRO 66 -13.851 -3.675 -3.997 473 1HB PRO 66 1HB PRO 66 -15.360 -5.946 -4.414 474 2HB PRO 66 2HB PRO 66 -15.993 -4.504 -3.580 475 1HG PRO 66 1HG PRO 66 -16.323 -5.226 -6.500 476 2HG PRO 66 2HG PRO 66 -17.600 -4.745 -5.340 477 1HD PRO 66 1HD PRO 66 -16.518 -2.950 -7.035 478 2HD PRO 66 2HD PRO 66 -16.844 -2.475 -5.346 479 H GLY 67 H GLY 67 -12.539 -5.691 -4.010 480 1HA GLY 67 1HA GLY 67 -11.334 -7.374 -4.937 481 2HA GLY 67 2HA GLY 67 -12.079 -7.095 -6.512 482 H GLU 68 H GLU 68 -11.404 -4.569 -7.155 483 HA GLU 68 HA GLU 68 -9.287 -4.457 -8.601 484 1HB GLU 68 1HB GLU 68 -9.881 -2.216 -6.638 485 2HB GLU 68 2HB GLU 68 -8.811 -2.103 -8.046 486 1HG GLU 68 1HG GLU 68 -10.746 -2.827 -9.505 487 2HG GLU 68 2HG GLU 68 -11.794 -2.633 -8.092 488 H THR 69 H THR 69 -7.316 -5.307 -8.554 489 HA THR 69 HA THR 69 -5.695 -5.249 -6.094 490 HB THR 69 HB THR 69 -4.319 -6.828 -7.556 491 HG1 THR 69 HG1 THR 69 -5.315 -6.112 -9.503 492 1HG2 THR 69 1HG2 THR 69 -5.804 -7.612 -5.780 493 2HG2 THR 69 2HG2 THR 69 -7.186 -7.625 -6.908 494 3HG2 THR 69 3HG2 THR 69 -5.821 -8.738 -7.157 495 OH TYR 70 OH TYR 70 2.080 1.223 -7.098 496 H TYR 70 H TYR 70 -4.257 -3.709 -5.897 497 HA TYR 70 HA TYR 70 -2.984 -2.487 -8.313 498 1HB TYR 70 1HB TYR 70 -3.733 -0.812 -6.799 499 2HB TYR 70 2HB TYR 70 -3.085 -1.647 -5.406 500 HD1 TYR 70 HD2 TYR 70 -1.662 -0.680 -8.778 501 HD2 TYR 70 HD1 TYR 70 -1.269 -0.420 -4.484 502 HE1 TYR 70 HE2 TYR 70 0.550 0.380 -9.040 503 HE2 TYR 70 HE1 TYR 70 0.919 0.705 -4.763 504 HH TYR 70 HH TYR 70 2.444 1.586 -6.284 505 H VAL 71 H VAL 71 -1.400 -3.833 -9.003 506 HA VAL 71 HA VAL 71 0.175 -5.367 -7.050 507 HB VAL 71 HB VAL 71 0.240 -5.534 -10.078 508 1HG1 VAL 71 1HG1 VAL 71 1.185 -7.364 -7.821 509 2HG1 VAL 71 2HG1 VAL 71 1.177 -7.807 -9.543 510 3HG1 VAL 71 3HG1 VAL 71 2.216 -6.495 -8.973 511 1HG2 VAL 71 1HG2 VAL 71 -1.421 -7.099 -8.058 512 2HG2 VAL 71 2HG2 VAL 71 -2.043 -6.065 -9.360 513 3HG2 VAL 71 3HG2 VAL 71 -1.199 -7.563 -9.757 514 H VAL 72 H VAL 72 2.326 -4.906 -6.597 515 HA VAL 72 HA VAL 72 3.897 -3.238 -8.419 516 HB VAL 72 HB VAL 72 2.657 -1.591 -7.080 517 1HG1 VAL 72 1HG1 VAL 72 3.047 -1.310 -4.688 518 2HG1 VAL 72 2HG1 VAL 72 2.313 -2.892 -5.011 519 3HG1 VAL 72 3HG1 VAL 72 4.046 -2.774 -4.636 520 1HG2 VAL 72 1HG2 VAL 72 4.969 -1.077 -7.859 521 2HG2 VAL 72 2HG2 VAL 72 4.474 -0.193 -6.407 522 3HG2 VAL 72 3HG2 VAL 72 5.583 -1.559 -6.257 523 H THR 73 H THR 73 6.194 -3.173 -7.709 524 HA THR 73 HA THR 73 7.001 -5.378 -5.897 525 HB THR 73 HB THR 73 7.557 -5.016 -8.849 526 HG1 THR 73 HG1 THR 73 7.442 -7.234 -7.096 527 1HG2 THR 73 1HG2 THR 73 9.624 -6.104 -6.899 528 2HG2 THR 73 2HG2 THR 73 9.601 -6.450 -8.638 529 3HG2 THR 73 3HG2 THR 73 9.828 -4.789 -8.081 530 H LEU 74 H LEU 74 8.841 -4.948 -4.758 531 HA LEU 74 HA LEU 74 10.072 -2.236 -5.065 532 1HB LEU 74 1HB LEU 74 9.710 -3.838 -2.524 533 2HB LEU 74 2HB LEU 74 10.366 -2.198 -2.714 534 HG LEU 74 HG LEU 74 7.473 -3.023 -3.258 535 1HD1 LEU 74 1HD1 LEU 74 6.974 -1.718 -1.236 536 2HD1 LEU 74 2HD1 LEU 74 8.073 -3.058 -0.861 537 3HD1 LEU 74 3HD1 LEU 74 8.704 -1.401 -0.993 538 1HD2 LEU 74 1HD2 LEU 74 8.851 -0.305 -3.302 539 2HD2 LEU 74 2HD2 LEU 74 8.092 -1.115 -4.685 540 3HD2 LEU 74 3HD2 LEU 74 7.090 -0.546 -3.348 541 H ASP 75 H ASP 75 12.133 -2.398 -5.714 542 HA ASP 75 HA ASP 75 13.566 -4.979 -5.525 543 1HB ASP 75 1HB ASP 75 14.979 -4.157 -7.210 544 2HB ASP 75 2HB ASP 75 13.330 -3.770 -7.707 545 H THR 76 H THR 76 13.897 -1.581 -4.537 546 HA THR 76 HA THR 76 16.560 -1.937 -3.463 547 HB THR 76 HB THR 76 14.598 0.350 -3.054 548 HG1 THR 76 HG1 THR 76 14.996 -0.097 -5.284 549 1HG2 THR 76 1HG2 THR 76 17.645 0.225 -2.930 550 2HG2 THR 76 2HG2 THR 76 16.662 1.694 -2.798 551 3HG2 THR 76 3HG2 THR 76 16.557 0.449 -1.541 552 H LYS 77 H LYS 77 17.084 -2.677 -1.491 553 HA LYS 77 HA LYS 77 15.172 -3.681 0.356 554 1HB LYS 77 1HB LYS 77 18.152 -3.104 0.583 555 2HB LYS 77 2HB LYS 77 17.225 -3.973 1.817 556 1HG LYS 77 1HG LYS 77 16.637 -5.723 0.285 557 2HG LYS 77 2HG LYS 77 17.389 -4.896 -1.088 558 1HD LYS 77 1HD LYS 77 19.600 -4.999 0.163 559 2HD LYS 77 2HD LYS 77 18.807 -6.016 1.376 560 1HE LYS 77 1HE LYS 77 19.127 -6.628 -1.607 561 2HE LYS 77 2HE LYS 77 20.022 -7.385 -0.280 562 1HZ LYS 77 1HZ LYS 77 18.245 -8.760 -1.006 563 2HZ LYS 77 2HZ LYS 77 17.933 -8.252 0.530 564 3HZ LYS 77 3HZ LYS 77 17.128 -7.577 -0.752 565 H GLY 78 H GLY 78 14.818 -3.062 2.558 566 1HA GLY 78 1HA GLY 78 15.429 -1.389 4.321 567 2HA GLY 78 2HA GLY 78 15.140 -0.116 3.134 568 H THR 79 H THR 79 13.730 0.316 5.242 569 HA THR 79 HA THR 79 11.131 -1.016 5.181 570 HB THR 79 HB THR 79 12.133 1.152 7.051 571 HG1 THR 79 HG1 THR 79 12.715 -0.639 8.380 572 1HG2 THR 79 1HG2 THR 79 9.682 0.671 7.098 573 2HG2 THR 79 2HG2 THR 79 10.031 -1.054 7.350 574 3HG2 THR 79 3HG2 THR 79 10.475 0.138 8.589 575 OH TYR 80 OH TYR 80 12.085 -0.112 -2.207 576 H TYR 80 H TYR 80 9.480 -0.138 4.217 577 HA TYR 80 HA TYR 80 9.497 2.705 3.276 578 1HB TYR 80 1HB TYR 80 8.142 0.218 2.205 579 2HB TYR 80 2HB TYR 80 7.803 1.837 1.640 580 HD1 TYR 80 HD2 TYR 80 10.766 -0.451 2.105 581 HD2 TYR 80 HD1 TYR 80 8.665 2.298 -0.454 582 HE1 TYR 80 HE2 TYR 80 12.364 -0.918 0.307 583 HE2 TYR 80 HE1 TYR 80 10.115 1.634 -2.332 584 HH TYR 80 HH TYR 80 12.713 -0.788 -1.931 585 H SER 81 H SER 81 7.793 3.971 3.980 586 HA SER 81 HA SER 81 5.608 2.646 5.557 587 1HB SER 81 1HB SER 81 6.495 5.540 5.610 588 2HB SER 81 2HB SER 81 5.338 4.754 6.692 589 HG SER 81 HG SER 81 8.078 4.026 6.399 590 H PHE 82 H PHE 82 3.469 2.879 4.883 591 HA PHE 82 HA PHE 82 2.894 4.846 2.781 592 1HB PHE 82 1HB PHE 82 1.688 3.174 1.422 593 2HB PHE 82 2HB PHE 82 3.371 2.839 1.524 594 HD1 PHE 82 HD2 PHE 82 0.044 1.915 2.980 595 HD2 PHE 82 HD1 PHE 82 4.107 0.583 2.282 596 HE1 PHE 82 HE2 PHE 82 -0.454 -0.239 4.065 597 HE2 PHE 82 HE1 PHE 82 3.536 -1.595 3.269 598 HZ PHE 82 HZ PHE 82 1.296 -1.977 4.271 599 OH TYR 83 OH TYR 83 0.831 10.848 1.433 600 H TYR 83 H TYR 83 0.565 4.931 2.273 601 HA TYR 83 HA TYR 83 -1.237 4.271 4.471 602 1HB TYR 83 1HB TYR 83 -1.804 6.616 4.993 603 2HB TYR 83 2HB TYR 83 -0.123 6.262 5.374 604 HD1 TYR 83 HD1 TYR 83 1.728 7.151 3.928 605 HD2 TYR 83 HD2 TYR 83 -2.393 8.255 3.310 606 HE1 TYR 83 HE1 TYR 83 2.452 9.062 2.546 607 HE2 TYR 83 HE2 TYR 83 -1.657 10.208 1.958 608 HH TYR 83 HH TYR 83 1.784 10.911 1.335 609 H CYS 84 H CYS 84 -3.431 4.910 4.143 610 HA CYS 84 HA CYS 84 -4.206 5.049 1.255 611 1HB CYS 84 1HB CYS 84 -5.208 3.160 2.428 612 2HB CYS 84 2HB CYS 84 -5.616 4.196 3.804 613 H SER 85 H SER 85 -4.237 7.186 0.671 614 HA SER 85 HA SER 85 -4.437 9.246 2.438 615 1HB SER 85 1HB SER 85 -5.554 9.962 -0.214 616 2HB SER 85 2HB SER 85 -4.192 10.619 0.681 617 HG SER 85 HG SER 85 -2.954 8.846 0.056 618 HA PRO 86 HA PRO 86 -9.252 9.619 1.541 619 1HB PRO 86 1HB PRO 86 -9.712 6.647 1.242 620 2HB PRO 86 2HB PRO 86 -10.673 7.996 0.575 621 1HG PRO 86 1HG PRO 86 -8.908 6.694 -1.023 622 2HG PRO 86 2HG PRO 86 -8.973 8.480 -1.055 623 1HD PRO 86 1HD PRO 86 -7.010 6.715 0.401 624 2HD PRO 86 2HD PRO 86 -6.708 8.163 -0.574 625 H HIS 87 H HIS 87 -7.445 7.355 3.572 626 HA HIS 87 HA HIS 87 -9.388 7.861 5.771 627 1HB HIS 87 1HB HIS 87 -8.219 5.167 5.039 628 2HB HIS 87 2HB HIS 87 -9.199 5.501 6.461 629 HD2 HIS 87 HD2 HIS 87 -11.765 6.722 5.689 630 HE1 HIS 87 HE1 HIS 87 -12.156 3.941 2.505 631 HE2 HIS 87 HE2 HIS 87 -13.394 5.582 3.990 632 H GLN 88 H GLN 88 -6.755 9.091 5.042 633 HA GLN 88 HA GLN 88 -4.764 7.949 6.693 634 1HB GLN 88 1HB GLN 88 -3.522 9.830 6.336 635 2HB GLN 88 2HB GLN 88 -4.450 9.658 4.860 636 1HG GLN 88 1HG GLN 88 -5.013 11.672 7.099 637 2HG GLN 88 2HG GLN 88 -4.132 11.994 5.620 638 1HE2 GLN 88 1HE2 GLN 88 -7.040 12.770 3.812 639 2HE2 GLN 88 2HE2 GLN 88 -5.300 12.935 3.978 640 H GLY 89 H GLY 89 -7.258 10.402 7.346 641 1HA GLY 89 1HA GLY 89 -6.605 11.097 9.995 642 2HA GLY 89 2HA GLY 89 -8.230 11.141 9.283 643 H ALA 90 H ALA 90 -8.383 8.274 8.724 644 HA ALA 90 HA ALA 90 -9.193 7.355 11.385 645 1HB ALA 90 1HB ALA 90 -10.162 5.478 10.185 646 2HB ALA 90 2HB ALA 90 -10.596 6.992 9.366 647 3HB ALA 90 3HB ALA 90 -9.319 5.947 8.697 648 H GLY 91 H GLY 91 -6.169 7.496 10.043 649 1HA GLY 91 1HA GLY 91 -4.245 6.490 10.657 650 2HA GLY 91 2HA GLY 91 -5.132 5.460 11.788 651 H MET 92 H MET 92 -6.035 5.516 8.309 652 HA MET 92 HA MET 92 -5.311 2.678 8.198 653 1HB MET 92 1HB MET 92 -7.378 3.504 7.147 654 2HB MET 92 2HB MET 92 -6.394 4.405 5.970 655 1HG MET 92 1HG MET 92 -5.413 2.336 5.140 656 2HG MET 92 2HG MET 92 -6.069 1.424 6.492 657 1HE MET 92 1HE MET 92 -7.675 -0.430 3.642 658 2HE MET 92 2HE MET 92 -6.092 0.376 3.538 659 3HE MET 92 3HE MET 92 -6.584 -0.429 5.037 660 H VAL 93 H VAL 93 -3.114 3.027 8.707 661 HA VAL 93 HA VAL 93 -1.375 3.769 6.411 662 HB VAL 93 HB VAL 93 0.292 4.546 7.925 663 1HG1 VAL 93 1HG1 VAL 93 -0.750 6.548 8.779 664 2HG1 VAL 93 2HG1 VAL 93 -1.543 6.132 7.252 665 3HG1 VAL 93 3HG1 VAL 93 -2.353 5.797 8.791 666 1HG2 VAL 93 1HG2 VAL 93 -1.636 3.822 10.166 667 2HG2 VAL 93 2HG2 VAL 93 -0.078 3.034 9.823 668 3HG2 VAL 93 3HG2 VAL 93 -0.116 4.723 10.354 669 H GLY 94 H GLY 94 0.837 2.623 6.544 670 1HA GLY 94 1HA GLY 94 0.995 0.165 8.024 671 2HA GLY 94 2HA GLY 94 0.530 -0.132 6.339 672 H LYS 95 H LYS 95 2.854 -1.238 6.877 673 HA LYS 95 HA LYS 95 4.848 0.458 5.547 674 1HB LYS 95 1HB LYS 95 5.466 -0.943 8.192 675 2HB LYS 95 2HB LYS 95 6.589 -0.016 7.189 676 1HG LYS 95 1HG LYS 95 5.074 2.015 7.625 677 2HG LYS 95 2HG LYS 95 4.274 1.026 8.862 678 1HD LYS 95 1HD LYS 95 6.543 0.646 9.916 679 2HD LYS 95 2HD LYS 95 7.241 1.750 8.716 680 1HE LYS 95 1HE LYS 95 5.149 2.470 10.822 681 2HE LYS 95 2HE LYS 95 6.863 2.914 10.828 682 1HZ LYS 95 1HZ LYS 95 5.610 4.714 10.024 683 2HZ LYS 95 2HZ LYS 95 6.451 4.096 8.743 684 3HZ LYS 95 3HZ LYS 95 4.840 3.792 8.898 685 H VAL 96 H VAL 96 6.723 -0.824 4.827 686 HA VAL 96 HA VAL 96 6.354 -3.742 4.827 687 HB VAL 96 HB VAL 96 5.055 -3.207 2.967 688 1HG1 VAL 96 1HG1 VAL 96 5.676 -1.891 1.066 689 2HG1 VAL 96 2HG1 VAL 96 5.992 -0.873 2.479 690 3HG1 VAL 96 3HG1 VAL 96 7.334 -1.704 1.649 691 1HG2 VAL 96 1HG2 VAL 96 7.762 -4.009 1.876 692 2HG2 VAL 96 2HG2 VAL 96 6.656 -5.101 2.747 693 3HG2 VAL 96 3HG2 VAL 96 6.161 -4.365 1.202 694 H THR 97 H THR 97 8.201 -4.771 4.930 695 HA THR 97 HA THR 97 10.729 -3.205 4.886 696 HB THR 97 HB THR 97 10.446 -5.955 6.093 697 HG1 THR 97 HG1 THR 97 8.720 -4.790 6.940 698 1HG2 THR 97 1HG2 THR 97 12.044 -3.476 6.849 699 2HG2 THR 97 2HG2 THR 97 12.125 -5.066 7.632 700 3HG2 THR 97 3HG2 THR 97 12.675 -4.880 5.953 701 H VAL 98 H VAL 98 11.673 -3.331 2.868 702 HA VAL 98 HA VAL 98 11.395 -5.770 1.277 703 HB VAL 98 HB VAL 98 12.949 -3.233 0.720 704 1HG1 VAL 98 1HG1 VAL 98 12.795 -4.068 -1.638 705 2HG1 VAL 98 2HG1 VAL 98 13.676 -5.222 -0.622 706 3HG1 VAL 98 3HG1 VAL 98 11.985 -5.533 -1.057 707 1HG2 VAL 98 1HG2 VAL 98 10.519 -2.786 0.996 708 2HG2 VAL 98 2HG2 VAL 98 10.998 -2.706 -0.700 709 3HG2 VAL 98 3HG2 VAL 98 10.146 -4.135 -0.091 710 H ASN 99 H ASN 99 12.535 -7.450 1.990 711 HA ASN 99 HA ASN 99 15.185 -7.064 3.332 712 1HB ASN 99 1HB ASN 99 13.202 -9.368 3.276 713 2HB ASN 99 2HB ASN 99 14.805 -9.469 4.009 714 1HD2 ASN 99 1HD2 ASN 99 13.993 -7.432 6.842 715 2HD2 ASN 99 2HD2 ASN 99 15.323 -7.976 5.843 Start of MODEL 7 Raw file had 715 H/Q atoms Start of MODEL 7 1 H LEU 1 H LEU 1 3.143 -8.479 -1.186 2 HA LEU 1 HA LEU 1 2.708 -11.236 -1.141 3 1HB LEU 1 1HB LEU 1 1.845 -9.855 1.428 4 2HB LEU 1 2HB LEU 1 1.738 -11.577 1.047 5 HG LEU 1 HG LEU 1 4.280 -9.992 1.575 6 1HD1 LEU 1 1HD1 LEU 1 2.880 -10.355 3.576 7 2HD1 LEU 1 2HD1 LEU 1 2.841 -12.098 3.240 8 3HD1 LEU 1 3HD1 LEU 1 4.373 -11.306 3.662 9 1HD2 LEU 1 1HD2 LEU 1 5.439 -12.122 1.641 10 2HD2 LEU 1 2HD2 LEU 1 3.971 -12.972 1.094 11 3HD2 LEU 1 3HD2 LEU 1 4.789 -11.802 0.023 12 H GLU 2 H GLU 2 0.121 -11.423 -0.449 13 HA GLU 2 HA GLU 2 -1.235 -9.367 -2.055 14 1HB GLU 2 1HB GLU 2 -1.709 -11.802 -2.374 15 2HB GLU 2 2HB GLU 2 -2.426 -11.830 -0.747 16 1HG GLU 2 1HG GLU 2 -4.023 -10.031 -1.460 17 2HG GLU 2 2HG GLU 2 -3.308 -10.050 -3.079 18 H VAL 3 H VAL 3 -1.612 -7.540 -0.928 19 HA VAL 3 HA VAL 3 -2.155 -7.668 1.989 20 HB VAL 3 HB VAL 3 -1.487 -5.287 0.247 21 1HG1 VAL 3 1HG1 VAL 3 -2.699 -4.666 2.313 22 2HG1 VAL 3 2HG1 VAL 3 -1.595 -5.668 3.279 23 3HG1 VAL 3 3HG1 VAL 3 -0.986 -4.223 2.463 24 1HG2 VAL 3 1HG2 VAL 3 0.332 -6.900 2.083 25 2HG2 VAL 3 2HG2 VAL 3 0.430 -6.832 0.313 26 3HG2 VAL 3 3HG2 VAL 3 0.745 -5.380 1.266 27 H LEU 4 H LEU 4 -4.232 -7.632 2.609 28 HA LEU 4 HA LEU 4 -6.345 -6.839 0.727 29 1HB LEU 4 1HB LEU 4 -6.465 -7.740 3.623 30 2HB LEU 4 2HB LEU 4 -7.843 -7.517 2.563 31 HG LEU 4 HG LEU 4 -5.632 -9.600 2.294 32 1HD1 LEU 4 1HD1 LEU 4 -8.639 -9.827 2.753 33 2HD1 LEU 4 2HD1 LEU 4 -7.487 -11.176 2.660 34 3HD1 LEU 4 3HD1 LEU 4 -7.386 -10.017 4.000 35 1HD2 LEU 4 1HD2 LEU 4 -7.004 -10.494 0.378 36 2HD2 LEU 4 2HD2 LEU 4 -7.936 -8.983 0.390 37 3HD2 LEU 4 3HD2 LEU 4 -6.196 -8.970 0.016 38 H LEU 5 H LEU 5 -7.033 -4.836 0.517 39 HA LEU 5 HA LEU 5 -6.417 -2.721 2.487 40 1HB LEU 5 1HB LEU 5 -7.912 -2.617 -0.141 41 2HB LEU 5 2HB LEU 5 -7.375 -1.237 0.809 42 HG LEU 5 HG LEU 5 -5.531 -3.261 -0.551 43 1HD1 LEU 5 1HD1 LEU 5 -6.842 -1.918 -2.166 44 2HD1 LEU 5 2HD1 LEU 5 -6.318 -0.428 -1.351 45 3HD1 LEU 5 3HD1 LEU 5 -5.140 -1.445 -2.187 46 1HD2 LEU 5 1HD2 LEU 5 -3.821 -1.465 -0.079 47 2HD2 LEU 5 2HD2 LEU 5 -5.030 -0.621 0.904 48 3HD2 LEU 5 3HD2 LEU 5 -4.467 -2.243 1.376 49 H GLY 6 H GLY 6 -7.687 -3.428 4.260 50 1HA GLY 6 1HA GLY 6 -9.804 -2.710 5.248 51 2HA GLY 6 2HA GLY 6 -10.660 -3.454 3.886 52 H SER 7 H SER 7 -11.306 -4.318 6.406 53 HA SER 7 HA SER 7 -10.295 -7.126 6.321 54 1HB SER 7 1HB SER 7 -10.152 -7.003 8.877 55 2HB SER 7 2HB SER 7 -8.920 -6.221 7.863 56 HG SER 7 HG SER 7 -10.129 -4.218 8.159 57 H GLY 8 H GLY 8 -12.431 -6.447 5.194 58 1HA GLY 8 1HA GLY 8 -14.506 -7.301 4.748 59 2HA GLY 8 2HA GLY 8 -14.387 -8.259 6.226 60 H ASP 9 H ASP 9 -14.414 -6.773 8.231 61 HA ASP 9 HA ASP 9 -17.163 -5.739 8.262 62 1HB ASP 9 1HB ASP 9 -17.080 -5.792 10.598 63 2HB ASP 9 2HB ASP 9 -16.241 -7.245 10.046 64 H GLY 10 H GLY 10 -15.638 -4.119 6.678 65 1HA GLY 10 1HA GLY 10 -15.571 -1.868 6.184 66 2HA GLY 10 2HA GLY 10 -16.225 -1.505 7.785 67 H SER 11 H SER 11 -14.080 -2.974 9.128 68 HA SER 11 HA SER 11 -12.415 -1.014 9.975 69 1HB SER 11 1HB SER 11 -12.400 -2.842 11.257 70 2HB SER 11 2HB SER 11 -12.085 -3.978 9.934 71 HG SER 11 HG SER 11 -10.056 -3.723 10.236 72 H LEU 12 H LEU 12 -11.372 0.326 8.938 73 HA LEU 12 HA LEU 12 -10.140 0.053 6.352 74 1HB LEU 12 1HB LEU 12 -10.102 2.294 8.434 75 2HB LEU 12 2HB LEU 12 -9.659 2.474 6.737 76 HG LEU 12 HG LEU 12 -12.462 1.713 7.695 77 1HD1 LEU 12 1HD1 LEU 12 -13.028 4.066 7.165 78 2HD1 LEU 12 2HD1 LEU 12 -11.900 3.920 8.524 79 3HD1 LEU 12 3HD1 LEU 12 -11.300 4.411 6.932 80 1HD2 LEU 12 1HD2 LEU 12 -11.399 2.656 4.997 81 2HD2 LEU 12 2HD2 LEU 12 -11.955 1.014 5.380 82 3HD2 LEU 12 3HD2 LEU 12 -13.104 2.360 5.399 83 H VAL 13 H VAL 13 -8.690 -1.739 7.150 84 HA VAL 13 HA VAL 13 -6.058 -0.514 7.860 85 HB VAL 13 HB VAL 13 -5.522 -2.392 9.324 86 1HG1 VAL 13 1HG1 VAL 13 -8.058 -0.988 10.265 87 2HG1 VAL 13 2HG1 VAL 13 -6.786 -1.700 11.269 88 3HG1 VAL 13 3HG1 VAL 13 -6.430 -0.274 10.278 89 1HG2 VAL 13 1HG2 VAL 13 -7.053 -4.115 8.450 90 2HG2 VAL 13 2HG2 VAL 13 -7.307 -3.880 10.186 91 3HG2 VAL 13 3HG2 VAL 13 -8.435 -3.165 9.022 92 H PHE 14 H PHE 14 -4.248 -1.618 7.111 93 HA PHE 14 HA PHE 14 -4.665 -3.169 4.623 94 1HB PHE 14 1HB PHE 14 -2.232 -1.993 6.039 95 2HB PHE 14 2HB PHE 14 -2.115 -3.051 4.655 96 HD1 PHE 14 HD2 PHE 14 -3.322 0.298 5.772 97 HD2 PHE 14 HD1 PHE 14 -2.200 -2.203 2.441 98 HE1 PHE 14 HE2 PHE 14 -3.083 2.288 4.312 99 HE2 PHE 14 HE1 PHE 14 -1.838 -0.220 1.071 100 HZ PHE 14 HZ PHE 14 -2.409 2.040 1.940 101 H VAL 15 H VAL 15 -4.561 -5.443 4.747 102 HA VAL 15 HA VAL 15 -3.261 -6.623 7.189 103 HB VAL 15 HB VAL 15 -5.596 -7.764 5.650 104 1HG1 VAL 15 1HG1 VAL 15 -4.144 -9.472 6.706 105 2HG1 VAL 15 2HG1 VAL 15 -4.241 -8.599 8.252 106 3HG1 VAL 15 3HG1 VAL 15 -5.693 -9.338 7.547 107 1HG2 VAL 15 1HG2 VAL 15 -6.381 -5.812 6.848 108 2HG2 VAL 15 2HG2 VAL 15 -6.853 -7.258 7.753 109 3HG2 VAL 15 3HG2 VAL 15 -5.477 -6.283 8.308 110 HA PRO 16 HA PRO 16 -1.499 -7.795 7.704 111 1HB PRO 16 1HB PRO 16 1.180 -7.938 7.345 112 2HB PRO 16 2HB PRO 16 0.118 -9.371 7.246 113 1HG PRO 16 1HG PRO 16 1.142 -7.682 4.942 114 2HG PRO 16 2HG PRO 16 1.228 -9.461 5.114 115 1HD PRO 16 1HD PRO 16 -0.756 -8.252 3.702 116 2HD PRO 16 2HD PRO 16 -1.110 -9.680 4.704 117 H SER 17 H SER 17 -0.756 -5.996 8.886 118 HA SER 17 HA SER 17 -0.654 -3.459 7.497 119 1HB SER 17 1HB SER 17 -0.106 -3.898 10.443 120 2HB SER 17 2HB SER 17 -0.880 -2.525 9.629 121 HG SER 17 HG SER 17 -2.523 -4.188 8.998 122 H GLU 18 H GLU 18 1.674 -5.652 9.014 123 HA GLU 18 HA GLU 18 3.930 -4.069 7.984 124 1HB GLU 18 1HB GLU 18 3.768 -3.430 10.346 125 2HB GLU 18 2HB GLU 18 3.603 -5.127 10.824 126 1HG GLU 18 1HG GLU 18 5.848 -4.333 11.303 127 2HG GLU 18 2HG GLU 18 5.917 -5.596 10.083 128 H PHE 19 H PHE 19 5.551 -5.474 7.198 129 HA PHE 19 HA PHE 19 5.650 -8.263 7.775 130 1HB PHE 19 1HB PHE 19 4.912 -9.166 5.648 131 2HB PHE 19 2HB PHE 19 3.585 -8.365 6.443 132 HD1 PHE 19 HD1 PHE 19 3.123 -5.813 5.693 133 HD2 PHE 19 HD2 PHE 19 5.097 -8.856 3.344 134 HE1 PHE 19 HE1 PHE 19 2.492 -4.637 3.640 135 HE2 PHE 19 HE2 PHE 19 4.503 -7.614 1.278 136 HZ PHE 19 HZ PHE 19 3.199 -5.511 1.421 137 H SER 20 H SER 20 7.179 -9.337 6.032 138 HA SER 20 HA SER 20 9.149 -7.360 5.049 139 1HB SER 20 1HB SER 20 9.800 -9.909 6.582 140 2HB SER 20 2HB SER 20 10.954 -8.698 6.003 141 HG SER 20 HG SER 20 9.813 -7.188 7.473 142 H VAL 21 H VAL 21 10.030 -7.891 3.062 143 HA VAL 21 HA VAL 21 9.468 -10.572 1.929 144 HB VAL 21 HB VAL 21 8.705 -9.478 -0.148 145 1HG1 VAL 21 1HG1 VAL 21 6.450 -8.935 0.570 146 2HG1 VAL 21 2HG1 VAL 21 7.065 -10.277 1.554 147 3HG1 VAL 21 3HG1 VAL 21 7.018 -8.625 2.216 148 1HG2 VAL 21 1HG2 VAL 21 9.721 -7.238 0.074 149 2HG2 VAL 21 2HG2 VAL 21 7.977 -7.138 -0.194 150 3HG2 VAL 21 3HG2 VAL 21 8.629 -6.876 1.429 151 HA PRO 22 HA PRO 22 13.560 -9.885 0.389 152 1HB PRO 22 1HB PRO 22 13.770 -11.581 -1.717 153 2HB PRO 22 2HB PRO 22 13.538 -12.177 -0.047 154 1HG PRO 22 1HG PRO 22 11.403 -11.748 -2.161 155 2HG PRO 22 2HG PRO 22 11.683 -13.218 -1.184 156 1HD PRO 22 1HD PRO 22 9.828 -11.352 -0.474 157 2HD PRO 22 2HD PRO 22 10.802 -12.196 0.757 158 H SER 23 H SER 23 14.697 -8.666 -1.206 159 HA SER 23 HA SER 23 13.440 -6.698 -2.710 160 1HB SER 23 1HB SER 23 16.080 -8.160 -3.066 161 2HB SER 23 2HB SER 23 15.612 -6.824 -4.119 162 HG SER 23 HG SER 23 15.593 -5.444 -2.481 163 H GLY 24 H GLY 24 12.261 -6.691 -4.491 164 1HA GLY 24 1HA GLY 24 11.878 -7.218 -6.782 165 2HA GLY 24 2HA GLY 24 12.536 -8.841 -6.560 166 H GLU 25 H GLU 25 10.675 -8.446 -3.801 167 HA GLU 25 HA GLU 25 8.660 -10.136 -4.806 168 1HB GLU 25 1HB GLU 25 9.254 -10.008 -2.428 169 2HB GLU 25 2HB GLU 25 8.573 -8.372 -2.337 170 1HG GLU 25 1HG GLU 25 6.970 -10.034 -1.439 171 2HG GLU 25 2HG GLU 25 6.308 -9.286 -2.877 172 H LYS 26 H LYS 26 6.682 -9.836 -5.568 173 HA LYS 26 HA LYS 26 5.841 -7.204 -6.602 174 1HB LYS 26 1HB LYS 26 5.010 -10.080 -7.157 175 2HB LYS 26 2HB LYS 26 4.383 -8.648 -7.987 176 1HG LYS 26 1HG LYS 26 6.624 -8.112 -8.847 177 2HG LYS 26 2HG LYS 26 7.336 -9.438 -7.920 178 1HD LYS 26 1HD LYS 26 5.976 -11.079 -9.208 179 2HD LYS 26 2HD LYS 26 5.296 -9.747 -10.160 180 1HE LYS 26 1HE LYS 26 7.123 -10.822 -11.390 181 2HE LYS 26 2HE LYS 26 7.578 -9.162 -10.970 182 1HZ LYS 26 1HZ LYS 26 8.872 -10.031 -9.165 183 2HZ LYS 26 2HZ LYS 26 8.398 -11.574 -9.495 184 3HZ LYS 26 3HZ LYS 26 9.332 -10.748 -10.571 185 H ILE 27 H ILE 27 4.823 -6.180 -4.863 186 HA ILE 27 HA ILE 27 3.060 -7.677 -3.074 187 HB ILE 27 HB ILE 27 3.555 -4.690 -3.280 188 1HG1 ILE 27 1HG1 ILE 27 4.895 -6.773 -1.480 189 2HG1 ILE 27 2HG1 ILE 27 5.667 -5.957 -2.846 190 1HG2 ILE 27 1HG2 ILE 27 2.438 -6.359 -0.987 191 2HG2 ILE 27 2HG2 ILE 27 2.661 -4.601 -0.988 192 3HG2 ILE 27 3HG2 ILE 27 1.468 -5.319 -2.051 193 1HD1 ILE 27 1HD1 ILE 27 6.395 -4.874 -0.879 194 2HD1 ILE 27 2HD1 ILE 27 5.302 -3.758 -1.730 195 3HD1 ILE 27 3HD1 ILE 27 4.750 -4.631 -0.280 196 H VAL 28 H VAL 28 0.854 -7.675 -3.152 197 HA VAL 28 HA VAL 28 -0.512 -6.303 -5.447 198 HB VAL 28 HB VAL 28 -1.069 -9.047 -4.251 199 1HG1 VAL 28 1HG1 VAL 28 -2.685 -9.255 -6.118 200 2HG1 VAL 28 2HG1 VAL 28 -3.142 -7.946 -5.023 201 3HG1 VAL 28 3HG1 VAL 28 -2.370 -7.571 -6.576 202 1HG2 VAL 28 1HG2 VAL 28 0.083 -8.295 -6.960 203 2HG2 VAL 28 2HG2 VAL 28 0.962 -9.097 -5.641 204 3HG2 VAL 28 3HG2 VAL 28 -0.380 -9.924 -6.438 205 H PHE 29 H PHE 29 -1.425 -4.560 -4.412 206 HA PHE 29 HA PHE 29 -2.712 -4.897 -1.763 207 1HB PHE 29 1HB PHE 29 -2.392 -2.511 -3.588 208 2HB PHE 29 2HB PHE 29 -3.179 -2.492 -2.021 209 HD1 PHE 29 HD1 PHE 29 -1.892 -2.943 0.077 210 HD2 PHE 29 HD2 PHE 29 0.005 -2.416 -3.753 211 HE1 PHE 29 HE1 PHE 29 0.241 -2.355 1.223 212 HE2 PHE 29 HE2 PHE 29 2.158 -1.913 -2.588 213 HZ PHE 29 HZ PHE 29 2.265 -1.856 -0.120 214 H LYS 30 H LYS 30 -4.673 -5.928 -1.859 215 HA LYS 30 HA LYS 30 -6.443 -5.538 -4.226 216 1HB LYS 30 1HB LYS 30 -5.637 -7.787 -3.631 217 2HB LYS 30 2HB LYS 30 -6.422 -7.650 -2.052 218 1HG LYS 30 1HG LYS 30 -8.631 -7.518 -3.117 219 2HG LYS 30 2HG LYS 30 -7.875 -7.465 -4.722 220 1HD LYS 30 1HD LYS 30 -6.904 -9.713 -4.362 221 2HD LYS 30 2HD LYS 30 -7.655 -9.798 -2.761 222 1HE LYS 30 1HE LYS 30 -9.181 -9.482 -5.395 223 2HE LYS 30 2HE LYS 30 -8.921 -11.019 -4.554 224 1HZ LYS 30 1HZ LYS 30 -10.359 -8.712 -3.444 225 2HZ LYS 30 2HZ LYS 30 -11.037 -10.093 -4.027 226 3HZ LYS 30 3HZ LYS 30 -10.096 -10.147 -2.677 227 H ASN 31 H ASN 31 -8.306 -4.399 -4.081 228 HA ASN 31 HA ASN 31 -9.224 -3.122 -1.677 229 1HB ASN 31 1HB ASN 31 -10.277 -3.491 -4.478 230 2HB ASN 31 2HB ASN 31 -11.451 -3.185 -3.200 231 1HD2 ASN 31 1HD2 ASN 31 -10.983 0.158 -4.289 232 2HD2 ASN 31 2HD2 ASN 31 -11.798 -1.320 -4.767 233 H ASN 32 H ASN 32 -9.865 -4.246 0.101 234 HA ASN 32 HA ASN 32 -11.343 -6.805 -0.223 235 1HB ASN 32 1HB ASN 32 -9.489 -6.840 1.259 236 2HB ASN 32 2HB ASN 32 -10.033 -5.437 2.144 237 1HD2 ASN 32 1HD2 ASN 32 -11.741 -9.032 3.031 238 2HD2 ASN 32 2HD2 ASN 32 -10.700 -8.890 1.630 239 H ALA 33 H ALA 33 -11.611 -4.050 1.983 240 HA ALA 33 HA ALA 33 -14.475 -3.655 1.405 241 1HB ALA 33 1HB ALA 33 -15.207 -4.128 3.707 242 2HB ALA 33 2HB ALA 33 -14.502 -5.580 2.975 243 3HB ALA 33 3HB ALA 33 -13.561 -4.627 4.146 244 H GLY 34 H GLY 34 -15.348 -1.816 2.806 245 1HA GLY 34 1HA GLY 34 -15.148 0.333 3.592 246 2HA GLY 34 2HA GLY 34 -13.590 -0.135 4.290 247 H PHE 35 H PHE 35 -14.116 -0.535 0.865 248 HA PHE 35 HA PHE 35 -12.023 1.322 0.070 249 1HB PHE 35 1HB PHE 35 -12.570 0.381 -2.197 250 2HB PHE 35 2HB PHE 35 -12.235 -0.784 -0.970 251 HD1 PHE 35 HD2 PHE 35 -15.055 0.992 -2.641 252 HD2 PHE 35 HD1 PHE 35 -13.649 -2.575 -0.690 253 HE1 PHE 35 HE2 PHE 35 -17.314 -0.048 -2.916 254 HE2 PHE 35 HE1 PHE 35 -15.943 -3.571 -0.838 255 HZ PHE 35 HZ PHE 35 -17.767 -2.304 -1.964 256 HA PRO 36 HA PRO 36 -12.276 2.320 -2.528 257 1HB PRO 36 1HB PRO 36 -11.630 4.751 -3.348 258 2HB PRO 36 2HB PRO 36 -13.183 4.006 -3.766 259 1HG PRO 36 1HG PRO 36 -12.697 5.923 -1.463 260 2HG PRO 36 2HG PRO 36 -13.922 6.070 -2.766 261 1HD PRO 36 1HD PRO 36 -14.555 4.913 -0.387 262 2HD PRO 36 2HD PRO 36 -15.168 4.215 -1.911 263 H HIS 37 H HIS 37 -10.001 2.657 -2.836 264 HA HIS 37 HA HIS 37 -8.499 3.800 -0.598 265 1HB HIS 37 1HB HIS 37 -8.241 0.887 -1.458 266 2HB HIS 37 2HB HIS 37 -7.284 1.659 -0.203 267 HD2 HIS 37 HD2 HIS 37 -9.909 -0.809 -0.495 268 HE1 HIS 37 HE1 HIS 37 -10.489 0.837 3.356 269 HE2 HIS 37 HE2 HIS 37 -10.888 -1.173 1.859 270 H ASN 38 H ASN 38 -6.093 3.575 -0.998 271 HA ASN 38 HA ASN 38 -5.154 2.875 -3.599 272 1HB ASN 38 1HB ASN 38 -4.405 4.983 -4.316 273 2HB ASN 38 2HB ASN 38 -6.082 5.298 -3.882 274 1HD2 ASN 38 1HD2 ASN 38 -3.296 7.572 -2.226 275 2HD2 ASN 38 2HD2 ASN 38 -3.107 6.712 -3.759 276 H VAL 39 H VAL 39 -2.595 3.628 -3.369 277 HA VAL 39 HA VAL 39 -1.815 3.281 -0.508 278 HB VAL 39 HB VAL 39 -0.633 1.758 -2.864 279 1HG1 VAL 39 1HG1 VAL 39 -0.140 1.583 0.147 280 2HG1 VAL 39 2HG1 VAL 39 0.594 0.552 -1.098 281 3HG1 VAL 39 3HG1 VAL 39 0.988 2.271 -1.045 282 1HG2 VAL 39 1HG2 VAL 39 -2.788 0.775 -2.449 283 2HG2 VAL 39 2HG2 VAL 39 -1.618 -0.222 -1.582 284 3HG2 VAL 39 3HG2 VAL 39 -2.607 0.938 -0.689 285 H VAL 40 H VAL 40 -0.618 4.962 0.048 286 HA VAL 40 HA VAL 40 1.128 6.281 -1.970 287 HB VAL 40 HB VAL 40 0.010 7.454 0.598 288 1HG1 VAL 40 1HG1 VAL 40 1.495 8.646 -1.795 289 2HG1 VAL 40 2HG1 VAL 40 0.802 9.589 -0.466 290 3HG1 VAL 40 3HG1 VAL 40 2.133 8.463 -0.147 291 1HG2 VAL 40 1HG2 VAL 40 -0.961 7.794 -2.264 292 2HG2 VAL 40 2HG2 VAL 40 -1.852 7.123 -0.869 293 3HG2 VAL 40 3HG2 VAL 40 -1.419 8.841 -0.900 294 H PHE 41 H PHE 41 3.218 5.825 -1.614 295 HA PHE 41 HA PHE 41 4.054 4.622 0.949 296 1HB PHE 41 1HB PHE 41 5.433 5.128 -1.692 297 2HB PHE 41 2HB PHE 41 6.268 4.572 -0.250 298 HD1 PHE 41 HD2 PHE 41 5.739 2.415 0.836 299 HD2 PHE 41 HD1 PHE 41 3.930 3.546 -2.888 300 HE1 PHE 41 HE2 PHE 41 5.370 0.010 0.291 301 HE2 PHE 41 HE1 PHE 41 3.329 1.170 -3.317 302 HZ PHE 41 HZ PHE 41 4.134 -0.607 -1.772 303 H ASP 42 H ASP 42 4.859 5.837 2.555 304 HA ASP 42 HA ASP 42 4.809 8.687 2.432 305 1HB ASP 42 1HB ASP 42 4.410 7.550 4.530 306 2HB ASP 42 2HB ASP 42 5.980 6.729 4.420 307 H GLU 43 H GLU 43 6.145 9.685 1.043 308 HA GLU 43 HA GLU 43 8.649 9.060 0.146 309 1HB GLU 43 1HB GLU 43 8.918 11.378 -0.413 310 2HB GLU 43 2HB GLU 43 7.265 10.863 -0.734 311 1HG GLU 43 1HG GLU 43 8.220 12.566 1.621 312 2HG GLU 43 2HG GLU 43 7.347 13.128 0.201 313 H ASP 44 H ASP 44 7.904 10.509 3.302 314 HA ASP 44 HA ASP 44 10.609 11.239 3.932 315 1HB ASP 44 1HB ASP 44 8.639 12.288 4.973 316 2HB ASP 44 2HB ASP 44 8.207 10.747 5.734 317 H GLU 45 H GLU 45 8.981 8.131 4.000 318 HA GLU 45 HA GLU 45 11.344 6.945 5.323 319 1HB GLU 45 1HB GLU 45 9.599 7.447 7.037 320 2HB GLU 45 2HB GLU 45 8.513 6.323 6.209 321 1HG GLU 45 1HG GLU 45 10.081 4.465 6.647 322 2HG GLU 45 2HG GLU 45 11.294 5.600 7.268 323 H ILE 46 H ILE 46 11.736 6.574 3.072 324 HA ILE 46 HA ILE 46 11.157 3.848 2.324 325 HB ILE 46 HB ILE 46 10.711 4.491 -0.047 326 1HG1 ILE 46 1HG1 ILE 46 10.024 7.256 1.006 327 2HG1 ILE 46 2HG1 ILE 46 11.484 6.868 0.087 328 1HG2 ILE 46 1HG2 ILE 46 8.437 5.441 1.707 329 2HG2 ILE 46 2HG2 ILE 46 8.389 4.696 0.100 330 3HG2 ILE 46 3HG2 ILE 46 8.890 3.746 1.487 331 1HD1 ILE 46 1HD1 ILE 46 10.020 5.997 -1.778 332 2HD1 ILE 46 2HD1 ILE 46 8.631 6.710 -0.921 333 3HD1 ILE 46 3HD1 ILE 46 9.957 7.744 -1.485 334 HA PRO 47 HA PRO 47 15.439 4.495 1.154 335 1HB PRO 47 1HB PRO 47 14.911 2.993 -1.407 336 2HB PRO 47 2HB PRO 47 16.167 2.707 -0.175 337 1HG PRO 47 1HG PRO 47 13.993 1.087 -0.352 338 2HG PRO 47 2HG PRO 47 14.605 1.603 1.246 339 1HD PRO 47 1HD PRO 47 12.285 2.814 -0.301 340 2HD PRO 47 2HD PRO 47 12.375 2.302 1.407 341 H ALA 48 H ALA 48 15.721 6.614 0.593 342 HA ALA 48 HA ALA 48 14.346 8.370 -0.839 343 1HB ALA 48 1HB ALA 48 16.409 9.681 -1.103 344 2HB ALA 48 2HB ALA 48 16.330 8.905 0.489 345 3HB ALA 48 3HB ALA 48 17.386 8.235 -0.775 346 H GLY 49 H GLY 49 16.724 6.231 -2.439 347 1HA GLY 49 1HA GLY 49 16.749 7.447 -4.979 348 2HA GLY 49 2HA GLY 49 17.070 5.739 -4.652 349 H VAL 50 H VAL 50 14.272 5.312 -3.543 350 HA VAL 50 HA VAL 50 13.042 4.757 -6.148 351 HB VAL 50 HB VAL 50 12.108 4.051 -3.341 352 1HG1 VAL 50 1HG1 VAL 50 10.276 4.010 -4.996 353 2HG1 VAL 50 2HG1 VAL 50 11.284 3.076 -6.121 354 3HG1 VAL 50 3HG1 VAL 50 10.759 2.355 -4.592 355 1HG2 VAL 50 1HG2 VAL 50 12.980 1.798 -3.915 356 2HG2 VAL 50 2HG2 VAL 50 13.676 2.450 -5.412 357 3HG2 VAL 50 3HG2 VAL 50 14.284 2.991 -3.829 358 H ASP 51 H ASP 51 12.019 6.435 -7.083 359 HA ASP 51 HA ASP 51 10.889 8.678 -5.803 360 1HB ASP 51 1HB ASP 51 11.400 8.709 -8.166 361 2HB ASP 51 2HB ASP 51 10.300 7.353 -8.475 362 H ALA 52 H ALA 52 9.282 8.648 -4.356 363 HA ALA 52 HA ALA 52 7.533 6.635 -3.676 364 1HB ALA 52 1HB ALA 52 6.163 8.342 -2.594 365 2HB ALA 52 2HB ALA 52 7.887 8.675 -2.337 366 3HB ALA 52 3HB ALA 52 6.971 9.622 -3.528 367 H VAL 53 H VAL 53 7.054 9.157 -6.172 368 HA VAL 53 HA VAL 53 4.324 8.606 -6.710 369 HB VAL 53 HB VAL 53 6.447 9.745 -8.570 370 1HG1 VAL 53 1HG1 VAL 53 4.506 10.881 -9.653 371 2HG1 VAL 53 2HG1 VAL 53 4.463 9.131 -9.854 372 3HG1 VAL 53 3HG1 VAL 53 3.405 9.908 -8.655 373 1HG2 VAL 53 1HG2 VAL 53 6.295 11.062 -6.476 374 2HG2 VAL 53 2HG2 VAL 53 5.558 11.945 -7.812 375 3HG2 VAL 53 3HG2 VAL 53 4.526 11.114 -6.632 376 H LYS 54 H LYS 54 7.259 6.885 -7.767 377 HA LYS 54 HA LYS 54 5.851 5.499 -9.931 378 1HB LYS 54 1HB LYS 54 8.560 5.111 -8.609 379 2HB LYS 54 2HB LYS 54 7.959 4.045 -9.873 380 1HG LYS 54 1HG LYS 54 8.078 7.050 -10.293 381 2HG LYS 54 2HG LYS 54 9.490 6.016 -10.561 382 1HD LYS 54 1HD LYS 54 8.239 4.643 -12.180 383 2HD LYS 54 2HD LYS 54 6.796 5.643 -11.965 384 1HE LYS 54 1HE LYS 54 9.486 6.644 -13.008 385 2HE LYS 54 2HE LYS 54 8.081 6.232 -14.003 386 1HZ LYS 54 1HZ LYS 54 6.844 7.933 -12.865 387 2HZ LYS 54 2HZ LYS 54 8.166 8.351 -11.973 388 3HZ LYS 54 3HZ LYS 54 8.178 8.555 -13.606 389 H ILE 55 H ILE 55 6.758 4.782 -6.569 390 HA ILE 55 HA ILE 55 5.675 2.066 -6.719 391 HB ILE 55 HB ILE 55 6.044 1.968 -4.338 392 1HG1 ILE 55 1HG1 ILE 55 7.538 4.607 -4.765 393 2HG1 ILE 55 2HG1 ILE 55 6.017 4.421 -3.860 394 1HG2 ILE 55 1HG2 ILE 55 7.572 1.097 -6.096 395 2HG2 ILE 55 2HG2 ILE 55 8.451 2.640 -6.056 396 3HG2 ILE 55 3HG2 ILE 55 8.408 1.574 -4.629 397 1HD1 ILE 55 1HD1 ILE 55 7.233 2.626 -2.526 398 2HD1 ILE 55 2HD1 ILE 55 8.728 3.247 -3.258 399 3HD1 ILE 55 3HD1 ILE 55 7.755 4.319 -2.239 400 H SER 56 H SER 56 4.465 5.217 -5.647 401 HA SER 56 HA SER 56 2.141 4.112 -4.294 402 1HB SER 56 1HB SER 56 2.788 6.932 -5.198 403 2HB SER 56 2HB SER 56 1.504 6.481 -4.080 404 HG SER 56 HG SER 56 4.311 6.303 -3.770 405 H MET 57 H MET 57 -0.038 4.691 -4.795 406 HA MET 57 HA MET 57 -0.696 4.691 -7.692 407 1HB MET 57 1HB MET 57 -1.475 2.889 -5.924 408 2HB MET 57 2HB MET 57 -2.694 4.090 -5.516 409 1HG MET 57 1HG MET 57 -2.114 2.825 -8.216 410 2HG MET 57 2HG MET 57 -3.533 2.537 -7.211 411 1HE MET 57 1HE MET 57 -5.454 4.264 -6.883 412 2HE MET 57 2HE MET 57 -5.597 5.780 -7.802 413 3HE MET 57 3HE MET 57 -4.413 5.665 -6.493 414 HA PRO 58 HA PRO 58 -0.998 9.137 -6.796 415 1HB PRO 58 1HB PRO 58 -2.758 8.818 -9.247 416 2HB PRO 58 2HB PRO 58 -1.693 10.195 -8.824 417 1HG PRO 58 1HG PRO 58 -0.752 8.269 -10.465 418 2HG PRO 58 2HG PRO 58 0.275 8.819 -9.108 419 1HD PRO 58 1HD PRO 58 -1.393 6.319 -9.298 420 2HD PRO 58 2HD PRO 58 0.236 6.554 -8.600 421 H GLU 59 H GLU 59 -2.109 9.616 -5.016 422 HA GLU 59 HA GLU 59 -4.586 8.759 -4.174 423 1HB GLU 59 1HB GLU 59 -4.438 10.566 -2.527 424 2HB GLU 59 2HB GLU 59 -2.908 9.698 -2.712 425 1HG GLU 59 1HG GLU 59 -2.053 11.560 -4.172 426 2HG GLU 59 2HG GLU 59 -3.556 12.443 -3.860 427 H GLU 60 H GLU 60 -4.081 11.249 -6.524 428 HA GLU 60 HA GLU 60 -6.508 12.674 -6.208 429 1HB GLU 60 1HB GLU 60 -4.516 13.254 -7.680 430 2HB GLU 60 2HB GLU 60 -5.076 12.015 -8.825 431 1HG GLU 60 1HG GLU 60 -7.230 13.261 -9.063 432 2HG GLU 60 2HG GLU 60 -6.661 14.462 -7.894 433 H GLU 61 H GLU 61 -5.721 9.533 -7.608 434 HA GLU 61 HA GLU 61 -8.541 8.967 -8.349 435 1HB GLU 61 1HB GLU 61 -5.845 7.809 -9.197 436 2HB GLU 61 2HB GLU 61 -7.416 7.179 -9.695 437 1HG GLU 61 1HG GLU 61 -7.959 9.361 -10.767 438 2HG GLU 61 2HG GLU 61 -6.381 9.996 -10.279 439 H LEU 62 H LEU 62 -9.184 6.661 -7.797 440 HA LEU 62 HA LEU 62 -7.567 5.312 -5.781 441 1HB LEU 62 1HB LEU 62 -9.579 5.219 -4.265 442 2HB LEU 62 2HB LEU 62 -8.691 6.729 -4.300 443 HG LEU 62 HG LEU 62 -11.124 6.928 -4.171 444 1HD1 LEU 62 1HD1 LEU 62 -11.384 8.883 -5.369 445 2HD1 LEU 62 2HD1 LEU 62 -9.656 8.788 -5.003 446 3HD1 LEU 62 3HD1 LEU 62 -10.257 8.415 -6.635 447 1HD2 LEU 62 1HD2 LEU 62 -12.644 6.646 -5.946 448 2HD2 LEU 62 2HD2 LEU 62 -11.368 6.258 -7.101 449 3HD2 LEU 62 3HD2 LEU 62 -11.763 5.117 -5.790 450 H LEU 63 H LEU 63 -8.425 3.231 -5.243 451 HA LEU 63 HA LEU 63 -9.445 1.807 -7.558 452 1HB LEU 63 1HB LEU 63 -8.877 0.894 -4.714 453 2HB LEU 63 2HB LEU 63 -9.167 -0.157 -6.109 454 HG LEU 63 HG LEU 63 -6.790 1.729 -5.751 455 1HD1 LEU 63 1HD1 LEU 63 -6.851 -0.175 -4.176 456 2HD1 LEU 63 2HD1 LEU 63 -7.030 -1.298 -5.542 457 3HD1 LEU 63 3HD1 LEU 63 -5.539 -0.348 -5.351 458 1HD2 LEU 63 1HD2 LEU 63 -5.827 0.492 -7.679 459 2HD2 LEU 63 2HD2 LEU 63 -7.359 -0.377 -7.890 460 3HD2 LEU 63 3HD2 LEU 63 -7.279 1.380 -8.153 461 H ASN 64 H ASN 64 -11.625 2.154 -7.916 462 HA ASN 64 HA ASN 64 -13.405 2.956 -5.783 463 1HB ASN 64 1HB ASN 64 -13.575 3.924 -7.986 464 2HB ASN 64 2HB ASN 64 -13.959 2.353 -8.702 465 1HD2 ASN 64 1HD2 ASN 64 -17.374 2.454 -7.688 466 2HD2 ASN 64 2HD2 ASN 64 -16.112 1.503 -8.449 467 H ALA 65 H ALA 65 -13.639 0.122 -8.032 468 HA ALA 65 HA ALA 65 -15.800 -0.978 -6.445 469 1HB ALA 65 1HB ALA 65 -15.816 -2.712 -8.214 470 2HB ALA 65 2HB ALA 65 -15.656 -1.109 -8.938 471 3HB ALA 65 3HB ALA 65 -14.243 -2.175 -8.782 472 HA PRO 66 HA PRO 66 -13.433 -3.756 -3.840 473 1HB PRO 66 1HB PRO 66 -14.921 -6.067 -3.842 474 2HB PRO 66 2HB PRO 66 -15.405 -4.594 -2.969 475 1HG PRO 66 1HG PRO 66 -16.299 -5.481 -5.723 476 2HG PRO 66 2HG PRO 66 -17.328 -4.947 -4.359 477 1HD PRO 66 1HD PRO 66 -16.675 -3.237 -6.312 478 2HD PRO 66 2HD PRO 66 -16.619 -2.675 -4.626 479 H GLY 67 H GLY 67 -12.144 -5.809 -3.989 480 1HA GLY 67 1HA GLY 67 -11.117 -7.526 -5.113 481 2HA GLY 67 2HA GLY 67 -12.132 -7.261 -6.526 482 H GLU 68 H GLU 68 -11.374 -4.434 -6.923 483 HA GLU 68 HA GLU 68 -9.347 -4.580 -8.732 484 1HB GLU 68 1HB GLU 68 -9.963 -2.276 -6.845 485 2HB GLU 68 2HB GLU 68 -8.888 -2.170 -8.248 486 1HG GLU 68 1HG GLU 68 -10.769 -2.841 -9.743 487 2HG GLU 68 2HG GLU 68 -11.857 -2.871 -8.347 488 H THR 69 H THR 69 -7.204 -4.979 -8.771 489 HA THR 69 HA THR 69 -5.638 -5.034 -6.253 490 HB THR 69 HB THR 69 -4.166 -6.493 -7.763 491 HG1 THR 69 HG1 THR 69 -5.200 -5.702 -9.688 492 1HG2 THR 69 1HG2 THR 69 -6.988 -7.496 -7.248 493 2HG2 THR 69 2HG2 THR 69 -5.530 -8.483 -7.468 494 3HG2 THR 69 3HG2 THR 69 -5.674 -7.425 -6.046 495 OH TYR 70 OH TYR 70 1.953 1.553 -7.787 496 H TYR 70 H TYR 70 -4.048 -3.581 -6.009 497 HA TYR 70 HA TYR 70 -2.870 -2.220 -8.403 498 1HB TYR 70 1HB TYR 70 -3.752 -0.636 -6.768 499 2HB TYR 70 2HB TYR 70 -2.892 -1.430 -5.465 500 HD1 TYR 70 HD2 TYR 70 -2.129 -0.053 -8.903 501 HD2 TYR 70 HD1 TYR 70 -0.897 -0.335 -4.777 502 HE1 TYR 70 HE2 TYR 70 0.022 1.035 -9.464 503 HE2 TYR 70 HE1 TYR 70 1.228 0.796 -5.340 504 HH TYR 70 HH TYR 70 2.516 1.729 -7.026 505 H VAL 71 H VAL 71 -1.035 -3.249 -9.047 506 HA VAL 71 HA VAL 71 0.462 -4.854 -7.074 507 HB VAL 71 HB VAL 71 0.707 -4.874 -10.098 508 1HG1 VAL 71 1HG1 VAL 71 1.695 -7.138 -9.624 509 2HG1 VAL 71 2HG1 VAL 71 2.655 -5.823 -8.940 510 3HG1 VAL 71 3HG1 VAL 71 1.596 -6.781 -7.887 511 1HG2 VAL 71 1HG2 VAL 71 -1.013 -6.591 -8.260 512 2HG2 VAL 71 2HG2 VAL 71 -1.586 -5.532 -9.565 513 3HG2 VAL 71 3HG2 VAL 71 -0.655 -6.979 -9.955 514 H VAL 72 H VAL 72 2.651 -4.471 -6.623 515 HA VAL 72 HA VAL 72 4.157 -2.549 -8.242 516 HB VAL 72 HB VAL 72 2.993 -1.070 -6.681 517 1HG1 VAL 72 1HG1 VAL 72 3.374 -1.128 -4.297 518 2HG1 VAL 72 2HG1 VAL 72 2.630 -2.659 -4.804 519 3HG1 VAL 72 3HG1 VAL 72 4.367 -2.589 -4.420 520 1HG2 VAL 72 1HG2 VAL 72 4.935 0.071 -5.730 521 2HG2 VAL 72 2HG2 VAL 72 5.950 -1.348 -5.995 522 3HG2 VAL 72 3HG2 VAL 72 5.269 -0.471 -7.385 523 H THR 73 H THR 73 6.377 -2.926 -8.122 524 HA THR 73 HA THR 73 7.179 -5.353 -6.587 525 HB THR 73 HB THR 73 8.447 -4.173 -9.083 526 HG1 THR 73 HG1 THR 73 6.273 -4.947 -9.388 527 1HG2 THR 73 1HG2 THR 73 9.451 -6.433 -9.257 528 2HG2 THR 73 2HG2 THR 73 9.932 -5.656 -7.737 529 3HG2 THR 73 3HG2 THR 73 8.660 -6.898 -7.740 530 H LEU 74 H LEU 74 8.567 -5.008 -4.895 531 HA LEU 74 HA LEU 74 10.031 -2.376 -4.806 532 1HB LEU 74 1HB LEU 74 9.410 -4.256 -2.522 533 2HB LEU 74 2HB LEU 74 10.238 -2.690 -2.469 534 HG LEU 74 HG LEU 74 7.313 -3.189 -3.126 535 1HD1 LEU 74 1HD1 LEU 74 8.026 -3.219 -0.713 536 2HD1 LEU 74 2HD1 LEU 74 8.678 -1.583 -0.913 537 3HD1 LEU 74 3HD1 LEU 74 6.937 -1.868 -1.090 538 1HD2 LEU 74 1HD2 LEU 74 8.895 -0.582 -3.242 539 2HD2 LEU 74 2HD2 LEU 74 8.011 -1.351 -4.578 540 3HD2 LEU 74 3HD2 LEU 74 7.123 -0.679 -3.210 541 H ASP 75 H ASP 75 11.908 -2.625 -5.796 542 HA ASP 75 HA ASP 75 13.508 -5.086 -5.527 543 1HB ASP 75 1HB ASP 75 13.861 -2.513 -7.114 544 2HB ASP 75 2HB ASP 75 15.056 -3.814 -7.052 545 H THR 76 H THR 76 13.992 -1.559 -4.786 546 HA THR 76 HA THR 76 16.535 -1.971 -3.648 547 HB THR 76 HB THR 76 14.613 0.296 -3.018 548 HG1 THR 76 HG1 THR 76 15.430 1.176 -4.989 549 1HG2 THR 76 1HG2 THR 76 16.680 1.650 -3.026 550 2HG2 THR 76 2HG2 THR 76 16.777 0.359 -1.819 551 3HG2 THR 76 3HG2 THR 76 17.642 0.198 -3.365 552 H LYS 77 H LYS 77 17.165 -2.626 -1.695 553 HA LYS 77 HA LYS 77 15.401 -3.704 0.270 554 1HB LYS 77 1HB LYS 77 18.354 -2.933 0.386 555 2HB LYS 77 2HB LYS 77 17.518 -3.922 1.595 556 1HG LYS 77 1HG LYS 77 17.149 -5.713 0.028 557 2HG LYS 77 2HG LYS 77 17.673 -4.728 -1.336 558 1HD LYS 77 1HD LYS 77 19.410 -6.313 -0.716 559 2HD LYS 77 2HD LYS 77 19.955 -4.641 -0.559 560 1HE LYS 77 1HE LYS 77 20.747 -6.054 1.305 561 2HE LYS 77 2HE LYS 77 19.716 -4.744 1.888 562 1HZ LYS 77 1HZ LYS 77 19.187 -6.841 2.898 563 2HZ LYS 77 2HZ LYS 77 17.916 -6.285 2.008 564 3HZ LYS 77 3HZ LYS 77 18.852 -7.515 1.430 565 H GLY 78 H GLY 78 15.330 -3.086 2.543 566 1HA GLY 78 1HA GLY 78 16.012 -1.232 4.135 567 2HA GLY 78 2HA GLY 78 15.280 -0.118 2.970 568 H THR 79 H THR 79 13.432 0.605 4.018 569 HA THR 79 HA THR 79 11.325 -1.326 4.529 570 HB THR 79 HB THR 79 12.346 0.653 6.630 571 HG1 THR 79 HG1 THR 79 12.904 -1.984 6.086 572 1HG2 THR 79 1HG2 THR 79 10.685 -0.460 8.091 573 2HG2 THR 79 2HG2 THR 79 9.912 0.350 6.713 574 3HG2 THR 79 3HG2 THR 79 10.112 -1.420 6.707 575 OH TYR 80 OH TYR 80 12.125 -0.223 -2.321 576 H TYR 80 H TYR 80 9.344 -0.369 4.143 577 HA TYR 80 HA TYR 80 9.360 2.464 3.211 578 1HB TYR 80 1HB TYR 80 8.027 0.024 1.963 579 2HB TYR 80 2HB TYR 80 7.766 1.679 1.472 580 HD1 TYR 80 HD1 TYR 80 10.649 -0.746 1.913 581 HD2 TYR 80 HD2 TYR 80 8.720 2.208 -0.566 582 HE1 TYR 80 HE1 TYR 80 12.299 -1.151 0.153 583 HE2 TYR 80 HE2 TYR 80 10.245 1.612 -2.420 584 HH TYR 80 HH TYR 80 12.745 -0.915 -2.060 585 H SER 81 H SER 81 7.824 3.622 4.258 586 HA SER 81 HA SER 81 5.631 2.180 5.677 587 1HB SER 81 1HB SER 81 6.598 5.048 5.779 588 2HB SER 81 2HB SER 81 5.222 4.408 6.703 589 HG SER 81 HG SER 81 7.362 4.396 7.775 590 H PHE 82 H PHE 82 3.388 2.585 5.150 591 HA PHE 82 HA PHE 82 2.879 4.377 2.892 592 1HB PHE 82 1HB PHE 82 1.627 2.623 1.654 593 2HB PHE 82 2HB PHE 82 3.328 2.352 1.722 594 HD1 PHE 82 HD2 PHE 82 0.122 1.417 3.463 595 HD2 PHE 82 HD1 PHE 82 4.110 0.083 2.379 596 HE1 PHE 82 HE2 PHE 82 -0.288 -0.757 4.519 597 HE2 PHE 82 HE1 PHE 82 3.578 -2.125 3.280 598 HZ PHE 82 HZ PHE 82 1.435 -2.542 4.450 599 OH TYR 83 OH TYR 83 1.085 10.722 1.965 600 H TYR 83 H TYR 83 0.620 4.602 2.375 601 HA TYR 83 HA TYR 83 -1.306 3.982 4.483 602 1HB TYR 83 1HB TYR 83 -1.839 6.324 4.991 603 2HB TYR 83 2HB TYR 83 -0.196 5.912 5.469 604 HD1 TYR 83 HD2 TYR 83 1.754 6.876 4.300 605 HD2 TYR 83 HD1 TYR 83 -2.276 7.922 3.188 606 HE1 TYR 83 HE2 TYR 83 2.590 8.916 3.186 607 HE2 TYR 83 HE1 TYR 83 -1.430 9.970 2.069 608 HH TYR 83 HH TYR 83 2.040 10.815 1.993 609 H CYS 84 H CYS 84 -3.475 4.684 4.050 610 HA CYS 84 HA CYS 84 -4.081 4.909 1.108 611 1HB CYS 84 1HB CYS 84 -5.179 2.979 2.142 612 2HB CYS 84 2HB CYS 84 -5.647 3.975 3.532 613 H SER 85 H SER 85 -4.002 7.037 0.664 614 HA SER 85 HA SER 85 -4.168 9.086 2.345 615 1HB SER 85 1HB SER 85 -5.319 10.097 -0.068 616 2HB SER 85 2HB SER 85 -3.667 10.187 0.524 617 HG SER 85 HG SER 85 -4.756 7.982 -0.913 618 HA PRO 86 HA PRO 86 -8.946 9.911 1.799 619 1HB PRO 86 1HB PRO 86 -9.748 7.044 1.277 620 2HB PRO 86 2HB PRO 86 -10.585 8.543 0.787 621 1HG PRO 86 1HG PRO 86 -9.058 7.215 -1.016 622 2HG PRO 86 2HG PRO 86 -8.923 8.993 -0.887 623 1HD PRO 86 1HD PRO 86 -7.089 6.903 0.297 624 2HD PRO 86 2HD PRO 86 -6.705 8.407 -0.578 625 H HIS 87 H HIS 87 -7.368 7.229 3.469 626 HA HIS 87 HA HIS 87 -9.164 7.662 5.819 627 1HB HIS 87 1HB HIS 87 -8.111 5.020 4.791 628 2HB HIS 87 2HB HIS 87 -9.082 5.248 6.244 629 HD2 HIS 87 HD2 HIS 87 -11.563 6.750 5.501 630 HE1 HIS 87 HE1 HIS 87 -12.070 4.215 2.130 631 HE2 HIS 87 HE2 HIS 87 -13.224 5.847 3.693 632 H GLN 88 H GLN 88 -6.321 8.583 4.888 633 HA GLN 88 HA GLN 88 -4.447 7.264 6.569 634 1HB GLN 88 1HB GLN 88 -3.878 8.817 4.732 635 2HB GLN 88 2HB GLN 88 -4.501 10.181 5.673 636 1HG GLN 88 1HG GLN 88 -2.782 9.736 7.428 637 2HG GLN 88 2HG GLN 88 -2.207 8.340 6.496 638 1HE2 GLN 88 1HE2 GLN 88 0.207 10.771 5.413 639 2HE2 GLN 88 2HE2 GLN 88 -0.075 9.517 6.609 640 H GLY 89 H GLY 89 -6.497 10.143 7.102 641 1HA GLY 89 1HA GLY 89 -5.792 10.747 9.763 642 2HA GLY 89 2HA GLY 89 -7.356 11.096 9.007 643 H ALA 90 H ALA 90 -7.971 8.247 8.466 644 HA ALA 90 HA ALA 90 -9.079 7.559 11.084 645 1HB ALA 90 1HB ALA 90 -10.301 5.854 9.856 646 2HB ALA 90 2HB ALA 90 -10.423 7.405 9.006 647 3HB ALA 90 3HB ALA 90 -9.321 6.144 8.407 648 H GLY 91 H GLY 91 -6.015 7.109 9.889 649 1HA GLY 91 1HA GLY 91 -4.357 5.863 10.822 650 2HA GLY 91 2HA GLY 91 -5.526 4.866 11.689 651 H MET 92 H MET 92 -6.098 5.187 8.202 652 HA MET 92 HA MET 92 -5.441 2.350 7.941 653 1HB MET 92 1HB MET 92 -7.412 3.379 6.829 654 2HB MET 92 2HB MET 92 -6.302 4.246 5.746 655 1HG MET 92 1HG MET 92 -5.453 2.158 4.852 656 2HG MET 92 2HG MET 92 -6.172 1.238 6.157 657 1HE MET 92 1HE MET 92 -6.222 0.214 3.263 658 2HE MET 92 2HE MET 92 -6.857 -0.583 4.717 659 3HE MET 92 3HE MET 92 -7.871 -0.451 3.273 660 H VAL 93 H VAL 93 -3.257 2.573 8.578 661 HA VAL 93 HA VAL 93 -1.394 3.289 6.378 662 HB VAL 93 HB VAL 93 0.178 4.192 7.911 663 1HG1 VAL 93 1HG1 VAL 93 -1.743 5.693 7.199 664 2HG1 VAL 93 2HG1 VAL 93 -2.493 5.382 8.769 665 3HG1 VAL 93 3HG1 VAL 93 -0.915 6.179 8.688 666 1HG2 VAL 93 1HG2 VAL 93 -0.149 2.720 9.841 667 2HG2 VAL 93 2HG2 VAL 93 -0.292 4.412 10.338 668 3HG2 VAL 93 3HG2 VAL 93 -1.754 3.424 10.137 669 H GLY 94 H GLY 94 0.825 2.231 6.744 670 1HA GLY 94 1HA GLY 94 1.062 -0.098 8.346 671 2HA GLY 94 2HA GLY 94 0.570 -0.578 6.712 672 H LYS 95 H LYS 95 2.912 -1.564 7.031 673 HA LYS 95 HA LYS 95 4.777 0.150 5.579 674 1HB LYS 95 1HB LYS 95 5.626 -1.188 8.180 675 2HB LYS 95 2HB LYS 95 6.616 -0.159 7.138 676 1HG LYS 95 1HG LYS 95 5.075 1.773 7.791 677 2HG LYS 95 2HG LYS 95 4.328 0.669 8.963 678 1HD LYS 95 1HD LYS 95 6.574 0.312 10.013 679 2HD LYS 95 2HD LYS 95 7.292 1.400 8.810 680 1HE LYS 95 1HE LYS 95 6.971 2.620 10.876 681 2HE LYS 95 2HE LYS 95 5.884 3.272 9.641 682 1HZ LYS 95 1HZ LYS 95 4.802 2.975 11.749 683 2HZ LYS 95 2HZ LYS 95 4.111 2.001 10.617 684 3HZ LYS 95 3HZ LYS 95 5.130 1.362 11.745 685 H VAL 96 H VAL 96 6.788 -1.168 5.030 686 HA VAL 96 HA VAL 96 6.453 -4.070 5.153 687 HB VAL 96 HB VAL 96 5.139 -3.609 3.225 688 1HG1 VAL 96 1HG1 VAL 96 6.074 -1.350 2.597 689 2HG1 VAL 96 2HG1 VAL 96 7.515 -2.181 1.965 690 3HG1 VAL 96 3HG1 VAL 96 5.928 -2.461 1.229 691 1HG2 VAL 96 1HG2 VAL 96 7.822 -4.592 2.250 692 2HG2 VAL 96 2HG2 VAL 96 6.629 -5.566 3.153 693 3HG2 VAL 96 3HG2 VAL 96 6.216 -4.893 1.561 694 H THR 97 H THR 97 8.368 -5.109 5.089 695 HA THR 97 HA THR 97 10.843 -3.443 5.098 696 HB THR 97 HB THR 97 10.957 -6.316 5.848 697 HG1 THR 97 HG1 THR 97 8.921 -5.441 6.842 698 1HG2 THR 97 1HG2 THR 97 12.410 -5.503 7.593 699 2HG2 THR 97 2HG2 THR 97 12.880 -4.765 6.049 700 3HG2 THR 97 3HG2 THR 97 11.965 -3.823 7.249 701 H VAL 98 H VAL 98 12.413 -3.755 3.418 702 HA VAL 98 HA VAL 98 11.876 -6.012 1.529 703 HB VAL 98 HB VAL 98 13.054 -3.317 0.873 704 1HG1 VAL 98 1HG1 VAL 98 12.181 -5.703 -0.842 705 2HG1 VAL 98 2HG1 VAL 98 12.801 -4.163 -1.457 706 3HG1 VAL 98 3HG1 VAL 98 13.864 -5.243 -0.539 707 1HG2 VAL 98 1HG2 VAL 98 10.899 -3.063 -0.386 708 2HG2 VAL 98 2HG2 VAL 98 10.297 -4.552 0.358 709 3HG2 VAL 98 3HG2 VAL 98 10.630 -3.124 1.359 710 H ASN 99 H ASN 99 13.280 -7.571 2.018 711 HA ASN 99 HA ASN 99 16.122 -6.866 2.652 712 1HB ASN 99 1HB ASN 99 16.171 -8.584 4.344 713 2HB ASN 99 2HB ASN 99 14.930 -7.387 4.719 714 1HD2 ASN 99 1HD2 ASN 99 13.009 -10.317 5.458 715 2HD2 ASN 99 2HD2 ASN 99 13.981 -9.038 6.164 Start of MODEL 8 Raw file had 715 H/Q atoms Start of MODEL 8 1 H LEU 1 H LEU 1 3.098 -8.473 -1.162 2 HA LEU 1 HA LEU 1 2.912 -11.246 -0.933 3 1HB LEU 1 1HB LEU 1 1.983 -9.787 1.571 4 2HB LEU 1 2HB LEU 1 2.029 -11.534 1.302 5 HG LEU 1 HG LEU 1 4.426 -9.695 1.668 6 1HD1 LEU 1 1HD1 LEU 1 4.675 -10.862 3.829 7 2HD1 LEU 1 2HD1 LEU 1 3.099 -10.052 3.723 8 3HD1 LEU 1 3HD1 LEU 1 3.210 -11.810 3.495 9 1HD2 LEU 1 1HD2 LEU 1 5.034 -11.582 0.216 10 2HD2 LEU 1 2HD2 LEU 1 5.786 -11.688 1.817 11 3HD2 LEU 1 3HD2 LEU 1 4.387 -12.721 1.423 12 H GLU 2 H GLU 2 0.383 -11.609 -0.139 13 HA GLU 2 HA GLU 2 -1.258 -9.799 -1.808 14 1HB GLU 2 1HB GLU 2 -1.780 -12.479 -0.457 15 2HB GLU 2 2HB GLU 2 -3.051 -11.487 -1.198 16 1HG GLU 2 1HG GLU 2 -1.837 -11.412 -3.317 17 2HG GLU 2 2HG GLU 2 -0.537 -12.413 -2.654 18 H VAL 3 H VAL 3 -1.573 -7.994 -0.790 19 HA VAL 3 HA VAL 3 -2.157 -7.944 2.130 20 HB VAL 3 HB VAL 3 -1.480 -5.657 0.258 21 1HG1 VAL 3 1HG1 VAL 3 -1.038 -4.463 2.434 22 2HG1 VAL 3 2HG1 VAL 3 -2.743 -4.897 2.229 23 3HG1 VAL 3 3HG1 VAL 3 -1.702 -5.854 3.302 24 1HG2 VAL 3 1HG2 VAL 3 0.304 -7.129 2.244 25 2HG2 VAL 3 2HG2 VAL 3 0.452 -7.176 0.474 26 3HG2 VAL 3 3HG2 VAL 3 0.726 -5.662 1.335 27 H LEU 4 H LEU 4 -4.180 -7.694 2.822 28 HA LEU 4 HA LEU 4 -6.321 -7.053 0.892 29 1HB LEU 4 1HB LEU 4 -6.400 -7.813 3.822 30 2HB LEU 4 2HB LEU 4 -7.792 -7.638 2.771 31 HG LEU 4 HG LEU 4 -5.582 -9.729 2.543 32 1HD1 LEU 4 1HD1 LEU 4 -7.250 -10.063 4.355 33 2HD1 LEU 4 2HD1 LEU 4 -8.559 -9.960 3.156 34 3HD1 LEU 4 3HD1 LEU 4 -7.391 -11.297 3.088 35 1HD2 LEU 4 1HD2 LEU 4 -7.044 -10.724 0.746 36 2HD2 LEU 4 2HD2 LEU 4 -7.994 -9.223 0.738 37 3HD2 LEU 4 3HD2 LEU 4 -6.276 -9.212 0.265 38 H LEU 5 H LEU 5 -6.850 -5.024 0.562 39 HA LEU 5 HA LEU 5 -6.202 -2.848 2.440 40 1HB LEU 5 1HB LEU 5 -7.444 -3.076 -0.318 41 2HB LEU 5 2HB LEU 5 -7.592 -1.584 0.601 42 HG LEU 5 HG LEU 5 -4.906 -2.825 -0.046 43 1HD1 LEU 5 1HD1 LEU 5 -4.854 -1.095 -1.893 44 2HD1 LEU 5 2HD1 LEU 5 -6.086 -2.346 -2.156 45 3HD1 LEU 5 3HD1 LEU 5 -6.551 -0.741 -1.560 46 1HD2 LEU 5 1HD2 LEU 5 -5.816 -0.016 0.787 47 2HD2 LEU 5 2HD2 LEU 5 -4.916 -1.156 1.798 48 3HD2 LEU 5 3HD2 LEU 5 -4.170 -0.474 0.343 49 H GLY 6 H GLY 6 -7.461 -3.045 4.249 50 1HA GLY 6 1HA GLY 6 -9.463 -2.410 5.316 51 2HA GLY 6 2HA GLY 6 -10.411 -3.015 3.954 52 H SER 7 H SER 7 -11.592 -4.302 5.610 53 HA SER 7 HA SER 7 -10.415 -6.964 5.871 54 1HB SER 7 1HB SER 7 -10.862 -6.984 8.350 55 2HB SER 7 2HB SER 7 -9.570 -5.870 7.899 56 HG SER 7 HG SER 7 -11.099 -4.159 7.976 57 H GLY 8 H GLY 8 -12.124 -8.510 6.157 58 1HA GLY 8 1HA GLY 8 -14.520 -8.035 4.846 59 2HA GLY 8 2HA GLY 8 -14.262 -9.329 6.028 60 H ASP 9 H ASP 9 -13.815 -7.590 8.294 61 HA ASP 9 HA ASP 9 -16.564 -7.178 9.113 62 1HB ASP 9 1HB ASP 9 -15.578 -6.561 11.256 63 2HB ASP 9 2HB ASP 9 -14.833 -8.041 10.637 64 H GLY 10 H GLY 10 -14.531 -5.194 7.278 65 1HA GLY 10 1HA GLY 10 -15.239 -3.151 6.417 66 2HA GLY 10 2HA GLY 10 -16.216 -2.820 7.846 67 H SER 11 H SER 11 -13.544 -3.728 9.434 68 HA SER 11 HA SER 11 -12.802 -1.101 10.048 69 1HB SER 11 1HB SER 11 -12.407 -2.924 11.574 70 2HB SER 11 2HB SER 11 -11.171 -3.625 10.501 71 HG SER 11 HG SER 11 -10.288 -2.288 12.166 72 H LEU 12 H LEU 12 -11.339 0.286 9.397 73 HA LEU 12 HA LEU 12 -10.168 0.047 6.742 74 1HB LEU 12 1HB LEU 12 -10.141 2.236 8.863 75 2HB LEU 12 2HB LEU 12 -9.549 2.420 7.215 76 HG LEU 12 HG LEU 12 -12.449 1.772 7.938 77 1HD1 LEU 12 1HD1 LEU 12 -11.826 3.996 8.730 78 2HD1 LEU 12 2HD1 LEU 12 -11.102 4.389 7.159 79 3HD1 LEU 12 3HD1 LEU 12 -12.859 4.141 7.298 80 1HD2 LEU 12 1HD2 LEU 12 -11.939 0.964 5.708 81 2HD2 LEU 12 2HD2 LEU 12 -12.853 2.466 5.561 82 3HD2 LEU 12 3HD2 LEU 12 -11.095 2.474 5.305 83 H VAL 13 H VAL 13 -8.703 -1.763 7.316 84 HA VAL 13 HA VAL 13 -6.114 -0.687 8.277 85 HB VAL 13 HB VAL 13 -6.860 -1.714 10.189 86 1HG1 VAL 13 1HG1 VAL 13 -7.802 -4.070 10.297 87 2HG1 VAL 13 2HG1 VAL 13 -8.859 -2.938 9.457 88 3HG1 VAL 13 3HG1 VAL 13 -7.861 -4.074 8.522 89 1HG2 VAL 13 1HG2 VAL 13 -5.310 -3.969 8.943 90 2HG2 VAL 13 2HG2 VAL 13 -4.594 -2.460 9.581 91 3HG2 VAL 13 3HG2 VAL 13 -5.457 -3.567 10.656 92 H PHE 14 H PHE 14 -4.353 -1.916 7.581 93 HA PHE 14 HA PHE 14 -4.710 -3.237 4.896 94 1HB PHE 14 1HB PHE 14 -2.340 -1.971 6.334 95 2HB PHE 14 2HB PHE 14 -2.124 -3.106 5.021 96 HD1 PHE 14 HD2 PHE 14 -3.434 0.261 5.880 97 HD2 PHE 14 HD1 PHE 14 -2.249 -2.428 2.714 98 HE1 PHE 14 HE2 PHE 14 -3.326 2.151 4.262 99 HE2 PHE 14 HE1 PHE 14 -1.806 -0.522 1.270 100 HZ PHE 14 HZ PHE 14 -2.471 1.778 1.969 101 H VAL 15 H VAL 15 -4.651 -5.508 4.974 102 HA VAL 15 HA VAL 15 -3.392 -6.748 7.406 103 HB VAL 15 HB VAL 15 -5.774 -7.766 5.871 104 1HG1 VAL 15 1HG1 VAL 15 -4.402 -9.573 6.848 105 2HG1 VAL 15 2HG1 VAL 15 -4.404 -8.735 8.415 106 3HG1 VAL 15 3HG1 VAL 15 -5.915 -9.377 7.739 107 1HG2 VAL 15 1HG2 VAL 15 -6.403 -5.779 7.159 108 2HG2 VAL 15 2HG2 VAL 15 -7.018 -7.236 7.944 109 3HG2 VAL 15 3HG2 VAL 15 -5.578 -6.427 8.595 110 HA PRO 16 HA PRO 16 -1.544 -7.747 7.891 111 1HB PRO 16 1HB PRO 16 1.125 -7.745 7.435 112 2HB PRO 16 2HB PRO 16 0.154 -9.240 7.485 113 1HG PRO 16 1HG PRO 16 0.982 -7.663 5.022 114 2HG PRO 16 2HG PRO 16 1.181 -9.418 5.308 115 1HD PRO 16 1HD PRO 16 -0.918 -8.438 3.902 116 2HD PRO 16 2HD PRO 16 -1.159 -9.799 5.026 117 H SER 17 H SER 17 -0.533 -5.901 8.934 118 HA SER 17 HA SER 17 -0.764 -3.383 7.464 119 1HB SER 17 1HB SER 17 -0.199 -2.587 9.853 120 2HB SER 17 2HB SER 17 -1.716 -3.488 9.649 121 HG SER 17 HG SER 17 -0.473 -4.306 11.414 122 H GLU 18 H GLU 18 1.580 -4.917 9.591 123 HA GLU 18 HA GLU 18 3.879 -3.687 8.124 124 1HB GLU 18 1HB GLU 18 3.628 -4.681 10.982 125 2HB GLU 18 2HB GLU 18 5.136 -4.149 10.209 126 1HG GLU 18 1HG GLU 18 4.067 -1.978 9.643 127 2HG GLU 18 2HG GLU 18 2.619 -2.451 10.547 128 H PHE 19 H PHE 19 5.131 -5.008 6.962 129 HA PHE 19 HA PHE 19 5.453 -7.831 7.745 130 1HB PHE 19 1HB PHE 19 4.651 -8.815 5.713 131 2HB PHE 19 2HB PHE 19 3.373 -7.869 6.425 132 HD1 PHE 19 HD2 PHE 19 2.830 -5.547 5.452 133 HD2 PHE 19 HD1 PHE 19 5.357 -8.431 3.438 134 HE1 PHE 19 HE2 PHE 19 2.269 -4.537 3.269 135 HE2 PHE 19 HE1 PHE 19 4.839 -7.350 1.275 136 HZ PHE 19 HZ PHE 19 3.283 -5.421 1.181 137 H SER 20 H SER 20 6.761 -8.961 5.754 138 HA SER 20 HA SER 20 8.908 -7.170 4.847 139 1HB SER 20 1HB SER 20 9.333 -9.801 6.337 140 2HB SER 20 2HB SER 20 10.595 -8.712 5.762 141 HG SER 20 HG SER 20 9.663 -7.117 7.278 142 H VAL 21 H VAL 21 9.874 -7.987 2.833 143 HA VAL 21 HA VAL 21 8.948 -10.539 1.846 144 HB VAL 21 HB VAL 21 7.039 -9.018 1.442 145 1HG1 VAL 21 1HG1 VAL 21 8.852 -7.443 -0.439 146 2HG1 VAL 21 2HG1 VAL 21 7.143 -7.161 -0.080 147 3HG1 VAL 21 3HG1 VAL 21 8.368 -6.877 1.171 148 1HG2 VAL 21 1HG2 VAL 21 6.787 -9.507 -0.941 149 2HG2 VAL 21 2HG2 VAL 21 8.536 -9.826 -1.044 150 3HG2 VAL 21 3HG2 VAL 21 7.497 -10.880 -0.059 151 HA PRO 22 HA PRO 22 13.017 -10.111 0.036 152 1HB PRO 22 1HB PRO 22 11.944 -11.785 -2.214 153 2HB PRO 22 2HB PRO 22 13.467 -11.973 -1.306 154 1HG PRO 22 1HG PRO 22 11.344 -13.573 -0.752 155 2HG PRO 22 2HG PRO 22 12.299 -12.863 0.585 156 1HD PRO 22 1HD PRO 22 9.656 -11.890 -0.528 157 2HD PRO 22 2HD PRO 22 10.177 -12.128 1.164 158 H SER 23 H SER 23 14.095 -8.876 -1.521 159 HA SER 23 HA SER 23 12.748 -6.808 -2.890 160 1HB SER 23 1HB SER 23 15.487 -8.102 -3.253 161 2HB SER 23 2HB SER 23 14.967 -6.709 -4.205 162 HG SER 23 HG SER 23 15.104 -5.447 -2.558 163 H GLY 24 H GLY 24 11.953 -6.570 -4.963 164 1HA GLY 24 1HA GLY 24 11.680 -7.057 -7.215 165 2HA GLY 24 2HA GLY 24 12.498 -8.607 -7.033 166 H GLU 25 H GLU 25 10.372 -8.920 -4.543 167 HA GLU 25 HA GLU 25 8.542 -10.465 -6.141 168 1HB GLU 25 1HB GLU 25 8.554 -9.608 -3.234 169 2HB GLU 25 2HB GLU 25 7.411 -10.767 -3.915 170 1HG GLU 25 1HG GLU 25 10.449 -11.110 -3.866 171 2HG GLU 25 2HG GLU 25 9.301 -11.918 -2.794 172 H LYS 26 H LYS 26 6.330 -10.155 -6.432 173 HA LYS 26 HA LYS 26 5.517 -7.349 -6.814 174 1HB LYS 26 1HB LYS 26 4.508 -10.057 -7.745 175 2HB LYS 26 2HB LYS 26 3.523 -8.604 -7.874 176 1HG LYS 26 1HG LYS 26 4.636 -9.025 -9.957 177 2HG LYS 26 2HG LYS 26 5.171 -7.491 -9.268 178 1HD LYS 26 1HD LYS 26 7.284 -8.511 -8.522 179 2HD LYS 26 2HD LYS 26 6.750 -10.106 -9.087 180 1HE LYS 26 1HE LYS 26 7.294 -7.625 -10.787 181 2HE LYS 26 2HE LYS 26 8.331 -9.051 -10.636 182 1HZ LYS 26 1HZ LYS 26 7.059 -9.191 -12.605 183 2HZ LYS 26 2HZ LYS 26 6.520 -10.354 -11.568 184 3HZ LYS 26 3HZ LYS 26 5.639 -8.979 -11.805 185 H ILE 27 H ILE 27 4.510 -6.369 -5.147 186 HA ILE 27 HA ILE 27 3.002 -7.897 -3.131 187 HB ILE 27 HB ILE 27 3.460 -4.912 -3.463 188 1HG1 ILE 27 1HG1 ILE 27 4.911 -6.836 -1.580 189 2HG1 ILE 27 2HG1 ILE 27 5.588 -6.245 -3.102 190 1HG2 ILE 27 1HG2 ILE 27 2.740 -4.737 -1.107 191 2HG2 ILE 27 2HG2 ILE 27 1.468 -5.441 -2.086 192 3HG2 ILE 27 3HG2 ILE 27 2.459 -6.484 -1.049 193 1HD1 ILE 27 1HD1 ILE 27 4.893 -4.523 -0.705 194 2HD1 ILE 27 2HD1 ILE 27 6.491 -4.918 -1.354 195 3HD1 ILE 27 3HD1 ILE 27 5.382 -3.902 -2.296 196 H VAL 28 H VAL 28 0.772 -7.904 -3.081 197 HA VAL 28 HA VAL 28 -0.710 -6.549 -5.320 198 HB VAL 28 HB VAL 28 -1.201 -9.273 -4.063 199 1HG1 VAL 28 1HG1 VAL 28 -2.902 -9.517 -5.855 200 2HG1 VAL 28 2HG1 VAL 28 -3.315 -8.204 -4.749 201 3HG1 VAL 28 3HG1 VAL 28 -2.624 -7.835 -6.343 202 1HG2 VAL 28 1HG2 VAL 28 -0.185 -8.562 -6.840 203 2HG2 VAL 28 2HG2 VAL 28 0.761 -9.340 -5.553 204 3HG2 VAL 28 3HG2 VAL 28 -0.614 -10.185 -6.271 205 H PHE 29 H PHE 29 -1.697 -4.854 -4.343 206 HA PHE 29 HA PHE 29 -2.873 -5.144 -1.622 207 1HB PHE 29 1HB PHE 29 -2.543 -2.767 -3.450 208 2HB PHE 29 2HB PHE 29 -3.295 -2.738 -1.864 209 HD1 PHE 29 HD2 PHE 29 -1.983 -3.163 0.202 210 HD2 PHE 29 HD1 PHE 29 -0.133 -2.761 -3.670 211 HE1 PHE 29 HE2 PHE 29 0.176 -2.567 1.298 212 HE2 PHE 29 HE1 PHE 29 2.031 -2.205 -2.551 213 HZ PHE 29 HZ PHE 29 2.179 -2.093 -0.094 214 H LYS 30 H LYS 30 -4.771 -6.291 -1.799 215 HA LYS 30 HA LYS 30 -6.651 -5.850 -4.058 216 1HB LYS 30 1HB LYS 30 -5.858 -8.119 -3.442 217 2HB LYS 30 2HB LYS 30 -6.540 -7.896 -1.829 218 1HG LYS 30 1HG LYS 30 -8.823 -7.633 -2.889 219 2HG LYS 30 2HG LYS 30 -8.070 -7.987 -4.455 220 1HD LYS 30 1HD LYS 30 -7.342 -10.191 -3.636 221 2HD LYS 30 2HD LYS 30 -8.043 -9.857 -2.043 222 1HE LYS 30 1HE LYS 30 -9.616 -9.960 -4.665 223 2HE LYS 30 2HE LYS 30 -9.514 -11.276 -3.482 224 1HZ LYS 30 1HZ LYS 30 -10.513 -9.821 -1.865 225 2HZ LYS 30 2HZ LYS 30 -10.649 -8.613 -2.979 226 3HZ LYS 30 3HZ LYS 30 -11.487 -10.015 -3.178 227 H ASN 31 H ASN 31 -8.461 -4.596 -3.829 228 HA ASN 31 HA ASN 31 -9.296 -3.403 -1.333 229 1HB ASN 31 1HB ASN 31 -10.463 -3.615 -4.111 230 2HB ASN 31 2HB ASN 31 -11.504 -3.156 -2.761 231 1HD2 ASN 31 1HD2 ASN 31 -10.600 0.123 -3.811 232 2HD2 ASN 31 2HD2 ASN 31 -11.695 -1.184 -4.213 233 H ASN 32 H ASN 32 -9.790 -4.708 0.362 234 HA ASN 32 HA ASN 32 -11.306 -7.177 -0.009 235 1HB ASN 32 1HB ASN 32 -9.533 -6.873 1.672 236 2HB ASN 32 2HB ASN 32 -10.513 -5.711 2.543 237 1HD2 ASN 32 1HD2 ASN 32 -12.784 -8.935 2.962 238 2HD2 ASN 32 2HD2 ASN 32 -12.954 -7.829 1.622 239 H ALA 33 H ALA 33 -11.819 -4.157 1.763 240 HA ALA 33 HA ALA 33 -14.563 -3.725 1.100 241 1HB ALA 33 1HB ALA 33 -13.997 -5.011 3.792 242 2HB ALA 33 2HB ALA 33 -15.041 -5.671 2.523 243 3HB ALA 33 3HB ALA 33 -15.519 -4.200 3.379 244 H GLY 34 H GLY 34 -15.353 -1.963 2.949 245 1HA GLY 34 1HA GLY 34 -14.910 0.058 3.945 246 2HA GLY 34 2HA GLY 34 -13.334 -0.589 4.426 247 H PHE 35 H PHE 35 -14.076 -0.592 1.044 248 HA PHE 35 HA PHE 35 -11.989 1.301 0.280 249 1HB PHE 35 1HB PHE 35 -12.682 0.546 -1.995 250 2HB PHE 35 2HB PHE 35 -12.352 -0.742 -0.896 251 HD1 PHE 35 HD1 PHE 35 -15.209 1.370 -2.108 252 HD2 PHE 35 HD2 PHE 35 -13.848 -2.472 -0.720 253 HE1 PHE 35 HE1 PHE 35 -17.521 0.460 -2.351 254 HE2 PHE 35 HE2 PHE 35 -16.205 -3.323 -0.765 255 HZ PHE 35 HZ PHE 35 -18.010 -1.889 -1.681 256 HA PRO 36 HA PRO 36 -12.438 2.514 -2.261 257 1HB PRO 36 1HB PRO 36 -12.063 5.437 -1.830 258 2HB PRO 36 2HB PRO 36 -12.194 4.573 -3.386 259 1HG PRO 36 1HG PRO 36 -14.301 5.984 -2.444 260 2HG PRO 36 2HG PRO 36 -14.594 4.311 -3.018 261 1HD PRO 36 1HD PRO 36 -14.090 5.209 -0.148 262 2HD PRO 36 2HD PRO 36 -15.438 4.231 -0.792 263 H HIS 37 H HIS 37 -10.153 2.644 -2.647 264 HA HIS 37 HA HIS 37 -8.482 3.597 -0.442 265 1HB HIS 37 1HB HIS 37 -8.439 0.718 -1.419 266 2HB HIS 37 2HB HIS 37 -7.335 1.387 -0.232 267 HD2 HIS 37 HD2 HIS 37 -10.037 -0.954 -0.327 268 HE1 HIS 37 HE1 HIS 37 -10.213 0.636 3.599 269 HE2 HIS 37 HE2 HIS 37 -10.825 -1.336 2.100 270 H ASN 38 H ASN 38 -6.098 3.131 -0.929 271 HA ASN 38 HA ASN 38 -5.233 2.607 -3.556 272 1HB ASN 38 1HB ASN 38 -4.462 4.715 -4.275 273 2HB ASN 38 2HB ASN 38 -6.145 5.002 -3.840 274 1HD2 ASN 38 1HD2 ASN 38 -4.084 7.800 -2.476 275 2HD2 ASN 38 2HD2 ASN 38 -4.469 7.188 -4.090 276 H VAL 39 H VAL 39 -2.661 3.420 -3.389 277 HA VAL 39 HA VAL 39 -1.764 3.094 -0.581 278 HB VAL 39 HB VAL 39 -0.766 1.378 -2.892 279 1HG1 VAL 39 1HG1 VAL 39 0.012 1.462 0.059 280 2HG1 VAL 39 2HG1 VAL 39 0.621 0.315 -1.148 281 3HG1 VAL 39 3HG1 VAL 39 1.033 2.022 -1.288 282 1HG2 VAL 39 1HG2 VAL 39 -2.456 0.779 -0.433 283 2HG2 VAL 39 2HG2 VAL 39 -2.888 0.477 -2.130 284 3HG2 VAL 39 3HG2 VAL 39 -1.619 -0.473 -1.348 285 H VAL 40 H VAL 40 -0.590 4.823 -0.206 286 HA VAL 40 HA VAL 40 1.210 5.879 -2.316 287 HB VAL 40 HB VAL 40 -0.278 7.402 -0.133 288 1HG1 VAL 40 1HG1 VAL 40 0.700 9.417 -1.244 289 2HG1 VAL 40 2HG1 VAL 40 1.958 8.380 -0.559 290 3HG1 VAL 40 3HG1 VAL 40 1.648 8.368 -2.306 291 1HG2 VAL 40 1HG2 VAL 40 -1.347 8.555 -2.117 292 2HG2 VAL 40 2HG2 VAL 40 -0.602 7.338 -3.164 293 3HG2 VAL 40 3HG2 VAL 40 -1.804 6.851 -1.951 294 H PHE 41 H PHE 41 3.298 5.940 -1.737 295 HA PHE 41 HA PHE 41 4.037 4.746 0.851 296 1HB PHE 41 1HB PHE 41 5.481 5.346 -1.718 297 2HB PHE 41 2HB PHE 41 6.330 4.893 -0.265 298 HD1 PHE 41 HD1 PHE 41 5.997 2.710 0.846 299 HD2 PHE 41 HD2 PHE 41 4.024 3.617 -2.860 300 HE1 PHE 41 HE1 PHE 41 5.771 0.279 0.374 301 HE2 PHE 41 HE2 PHE 41 3.577 1.204 -3.211 302 HZ PHE 41 HZ PHE 41 4.490 -0.474 -1.622 303 H ASP 42 H ASP 42 4.848 5.865 2.530 304 HA ASP 42 HA ASP 42 4.696 8.764 2.495 305 1HB ASP 42 1HB ASP 42 4.049 7.616 4.503 306 2HB ASP 42 2HB ASP 42 5.591 6.744 4.559 307 H GLU 43 H GLU 43 6.182 9.698 1.208 308 HA GLU 43 HA GLU 43 8.723 9.105 0.507 309 1HB GLU 43 1HB GLU 43 9.080 11.544 0.247 310 2HB GLU 43 2HB GLU 43 7.568 10.938 -0.438 311 1HG GLU 43 1HG GLU 43 6.319 11.793 1.569 312 2HG GLU 43 2HG GLU 43 7.841 12.428 2.215 313 H ASP 44 H ASP 44 7.831 10.530 3.648 314 HA ASP 44 HA ASP 44 10.509 11.135 4.463 315 1HB ASP 44 1HB ASP 44 8.517 12.214 5.427 316 2HB ASP 44 2HB ASP 44 7.998 10.666 6.120 317 H GLU 45 H GLU 45 8.688 8.115 4.517 318 HA GLU 45 HA GLU 45 10.908 6.806 6.036 319 1HB GLU 45 1HB GLU 45 7.939 6.324 6.394 320 2HB GLU 45 2HB GLU 45 9.261 5.423 7.167 321 1HG GLU 45 1HG GLU 45 10.007 7.559 8.258 322 2HG GLU 45 2HG GLU 45 8.591 8.371 7.571 323 H ILE 46 H ILE 46 11.362 6.735 3.550 324 HA ILE 46 HA ILE 46 11.094 3.946 2.799 325 HB ILE 46 HB ILE 46 10.607 4.517 0.439 326 1HG1 ILE 46 1HG1 ILE 46 9.764 7.259 1.413 327 2HG1 ILE 46 2HG1 ILE 46 11.265 6.943 0.541 328 1HG2 ILE 46 1HG2 ILE 46 8.265 5.406 2.146 329 2HG2 ILE 46 2HG2 ILE 46 8.270 4.650 0.538 330 3HG2 ILE 46 3HG2 ILE 46 8.769 3.726 1.928 331 1HD1 ILE 46 1HD1 ILE 46 9.774 7.699 -1.104 332 2HD1 ILE 46 2HD1 ILE 46 9.890 5.953 -1.346 333 3HD1 ILE 46 3HD1 ILE 46 8.457 6.651 -0.549 334 HA PRO 47 HA PRO 47 15.313 5.013 1.726 335 1HB PRO 47 1HB PRO 47 15.005 3.470 -0.849 336 2HB PRO 47 2HB PRO 47 16.249 3.333 0.422 337 1HG PRO 47 1HG PRO 47 14.257 1.483 0.192 338 2HG PRO 47 2HG PRO 47 14.778 2.065 1.801 339 1HD PRO 47 1HD PRO 47 12.373 3.026 0.202 340 2HD PRO 47 2HD PRO 47 12.485 2.529 1.912 341 H ALA 48 H ALA 48 15.279 7.156 1.247 342 HA ALA 48 HA ALA 48 13.790 8.746 -0.266 343 1HB ALA 48 1HB ALA 48 15.658 10.345 -0.332 344 2HB ALA 48 2HB ALA 48 15.554 9.523 1.237 345 3HB ALA 48 3HB ALA 48 16.801 9.043 0.062 346 H GLY 49 H GLY 49 16.584 7.029 -1.682 347 1HA GLY 49 1HA GLY 49 16.670 8.264 -4.199 348 2HA GLY 49 2HA GLY 49 17.142 6.590 -3.866 349 H VAL 50 H VAL 50 14.418 5.737 -3.017 350 HA VAL 50 HA VAL 50 13.393 5.207 -5.709 351 HB VAL 50 HB VAL 50 12.377 4.243 -3.008 352 1HG1 VAL 50 1HG1 VAL 50 10.684 4.095 -4.804 353 2HG1 VAL 50 2HG1 VAL 50 11.870 3.345 -5.888 354 3HG1 VAL 50 3HG1 VAL 50 11.315 2.480 -4.443 355 1HG2 VAL 50 1HG2 VAL 50 14.275 2.949 -5.024 356 2HG2 VAL 50 2HG2 VAL 50 14.691 3.467 -3.376 357 3HG2 VAL 50 3HG2 VAL 50 13.549 2.143 -3.621 358 H ASP 51 H ASP 51 12.561 7.084 -6.476 359 HA ASP 51 HA ASP 51 11.096 9.072 -5.234 360 1HB ASP 51 1HB ASP 51 11.861 9.306 -7.505 361 2HB ASP 51 2HB ASP 51 10.870 7.937 -8.040 362 H ALA 52 H ALA 52 9.394 8.881 -3.983 363 HA ALA 52 HA ALA 52 7.662 6.833 -3.512 364 1HB ALA 52 1HB ALA 52 6.153 8.497 -2.519 365 2HB ALA 52 2HB ALA 52 7.844 8.836 -2.110 366 3HB ALA 52 3HB ALA 52 7.023 9.804 -3.352 367 H VAL 53 H VAL 53 7.219 9.450 -5.911 368 HA VAL 53 HA VAL 53 4.599 8.859 -6.717 369 HB VAL 53 HB VAL 53 6.882 9.989 -8.383 370 1HG1 VAL 53 1HG1 VAL 53 3.863 10.143 -8.762 371 2HG1 VAL 53 2HG1 VAL 53 5.048 11.123 -9.649 372 3HG1 VAL 53 3HG1 VAL 53 5.035 9.373 -9.856 373 1HG2 VAL 53 1HG2 VAL 53 4.774 11.364 -6.652 374 2HG2 VAL 53 2HG2 VAL 53 6.516 11.314 -6.313 375 3HG2 VAL 53 3HG2 VAL 53 5.923 12.191 -7.723 376 H LYS 54 H LYS 54 7.599 7.131 -7.559 377 HA LYS 54 HA LYS 54 6.344 5.783 -9.844 378 1HB LYS 54 1HB LYS 54 8.949 5.231 -8.375 379 2HB LYS 54 2HB LYS 54 8.402 4.431 -9.858 380 1HG LYS 54 1HG LYS 54 8.296 6.627 -11.019 381 2HG LYS 54 2HG LYS 54 8.899 7.425 -9.557 382 1HD LYS 54 1HD LYS 54 10.973 6.030 -9.674 383 2HD LYS 54 2HD LYS 54 10.366 5.283 -11.165 384 1HE LYS 54 1HE LYS 54 10.315 7.519 -12.263 385 2HE LYS 54 2HE LYS 54 10.931 8.263 -10.775 386 1HZ LYS 54 1HZ LYS 54 12.898 6.924 -10.999 387 2HZ LYS 54 2HZ LYS 54 12.325 6.240 -12.385 388 3HZ LYS 54 3HZ LYS 54 12.665 7.851 -12.341 389 H ILE 55 H ILE 55 6.845 5.076 -6.423 390 HA ILE 55 HA ILE 55 5.855 2.294 -6.684 391 HB ILE 55 HB ILE 55 6.235 2.149 -4.324 392 1HG1 ILE 55 1HG1 ILE 55 7.676 4.835 -4.656 393 2HG1 ILE 55 2HG1 ILE 55 6.152 4.585 -3.770 394 1HG2 ILE 55 1HG2 ILE 55 7.807 1.375 -6.079 395 2HG2 ILE 55 2HG2 ILE 55 8.643 2.945 -5.996 396 3HG2 ILE 55 3HG2 ILE 55 8.617 1.854 -4.592 397 1HD1 ILE 55 1HD1 ILE 55 7.854 4.455 -2.120 398 2HD1 ILE 55 2HD1 ILE 55 7.426 2.756 -2.506 399 3HD1 ILE 55 3HD1 ILE 55 8.900 3.493 -3.179 400 H SER 56 H SER 56 4.639 5.451 -5.787 401 HA SER 56 HA SER 56 2.317 4.424 -4.326 402 1HB SER 56 1HB SER 56 3.121 7.199 -5.240 403 2HB SER 56 2HB SER 56 1.806 6.844 -4.137 404 HG SER 56 HG SER 56 4.595 6.422 -3.819 405 H MET 57 H MET 57 0.185 4.520 -4.938 406 HA MET 57 HA MET 57 -0.562 4.694 -7.734 407 1HB MET 57 1HB MET 57 -1.992 4.639 -5.054 408 2HB MET 57 2HB MET 57 -2.892 5.126 -6.482 409 1HG MET 57 1HG MET 57 -1.319 2.549 -6.340 410 2HG MET 57 2HG MET 57 -3.019 2.652 -5.884 411 1HE MET 57 1HE MET 57 -4.315 4.605 -8.112 412 2HE MET 57 2HE MET 57 -4.832 3.349 -9.250 413 3HE MET 57 3HE MET 57 -5.006 3.079 -7.502 414 HA PRO 58 HA PRO 58 -0.151 9.236 -7.661 415 1HB PRO 58 1HB PRO 58 -2.323 9.044 -9.770 416 2HB PRO 58 2HB PRO 58 -0.856 10.061 -9.775 417 1HG PRO 58 1HG PRO 58 -0.923 7.771 -11.228 418 2HG PRO 58 2HG PRO 58 0.525 8.146 -10.245 419 1HD PRO 58 1HD PRO 58 -1.752 6.268 -9.552 420 2HD PRO 58 2HD PRO 58 0.018 6.036 -9.389 421 H GLU 59 H GLU 59 -1.137 10.292 -5.972 422 HA GLU 59 HA GLU 59 -3.251 9.527 -4.511 423 1HB GLU 59 1HB GLU 59 -3.402 12.031 -3.817 424 2HB GLU 59 2HB GLU 59 -1.963 11.071 -3.486 425 1HG GLU 59 1HG GLU 59 -1.383 13.317 -4.241 426 2HG GLU 59 2HG GLU 59 -0.733 12.111 -5.335 427 H GLU 60 H GLU 60 -3.646 11.487 -7.402 428 HA GLU 60 HA GLU 60 -6.348 12.244 -7.007 429 1HB GLU 60 1HB GLU 60 -4.725 13.196 -8.669 430 2HB GLU 60 2HB GLU 60 -4.857 11.700 -9.614 431 1HG GLU 60 1HG GLU 60 -7.274 12.142 -9.959 432 2HG GLU 60 2HG GLU 60 -7.157 13.591 -8.946 433 H GLU 61 H GLU 61 -4.879 9.304 -8.329 434 HA GLU 61 HA GLU 61 -7.452 8.130 -9.088 435 1HB GLU 61 1HB GLU 61 -4.593 7.069 -9.256 436 2HB GLU 61 2HB GLU 61 -6.028 6.374 -10.013 437 1HG GLU 61 1HG GLU 61 -4.760 9.063 -10.639 438 2HG GLU 61 2HG GLU 61 -4.760 7.631 -11.675 439 H LEU 62 H LEU 62 -8.149 6.141 -8.297 440 HA LEU 62 HA LEU 62 -6.938 4.921 -5.983 441 1HB LEU 62 1HB LEU 62 -8.816 5.430 -4.415 442 2HB LEU 62 2HB LEU 62 -7.776 6.784 -4.797 443 HG LEU 62 HG LEU 62 -9.863 6.921 -6.751 444 1HD1 LEU 62 1HD1 LEU 62 -11.891 6.918 -5.419 445 2HD1 LEU 62 2HD1 LEU 62 -11.120 5.318 -5.355 446 3HD1 LEU 62 3HD1 LEU 62 -10.971 6.441 -3.974 447 1HD2 LEU 62 1HD2 LEU 62 -10.433 8.984 -5.557 448 2HD2 LEU 62 2HD2 LEU 62 -9.474 8.461 -4.152 449 3HD2 LEU 62 3HD2 LEU 62 -8.673 8.804 -5.701 450 H LEU 63 H LEU 63 -7.994 3.090 -5.239 451 HA LEU 63 HA LEU 63 -9.465 1.564 -7.250 452 1HB LEU 63 1HB LEU 63 -8.608 0.790 -4.437 453 2HB LEU 63 2HB LEU 63 -9.070 -0.277 -5.766 454 HG LEU 63 HG LEU 63 -6.556 1.436 -5.556 455 1HD1 LEU 63 1HD1 LEU 63 -6.729 -0.573 -4.089 456 2HD1 LEU 63 2HD1 LEU 63 -6.980 -1.578 -5.530 457 3HD1 LEU 63 3HD1 LEU 63 -5.445 -0.720 -5.289 458 1HD2 LEU 63 1HD2 LEU 63 -5.811 0.258 -7.612 459 2HD2 LEU 63 2HD2 LEU 63 -7.413 -0.479 -7.778 460 3HD2 LEU 63 3HD2 LEU 63 -7.218 1.279 -7.934 461 H ASN 64 H ASN 64 -11.519 2.471 -7.315 462 HA ASN 64 HA ASN 64 -12.989 3.179 -4.905 463 1HB ASN 64 1HB ASN 64 -13.240 4.462 -6.951 464 2HB ASN 64 2HB ASN 64 -13.857 3.045 -7.812 465 1HD2 ASN 64 1HD2 ASN 64 -17.132 3.335 -6.436 466 2HD2 ASN 64 2HD2 ASN 64 -16.057 2.362 -7.420 467 H ALA 65 H ALA 65 -13.404 0.612 -7.387 468 HA ALA 65 HA ALA 65 -15.697 -0.508 -6.020 469 1HB ALA 65 1HB ALA 65 -14.002 -1.498 -8.358 470 2HB ALA 65 2HB ALA 65 -15.566 -2.171 -7.904 471 3HB ALA 65 3HB ALA 65 -15.461 -0.499 -8.472 472 HA PRO 66 HA PRO 66 -13.637 -3.578 -3.468 473 1HB PRO 66 1HB PRO 66 -15.252 -5.790 -3.695 474 2HB PRO 66 2HB PRO 66 -15.716 -4.340 -2.780 475 1HG PRO 66 1HG PRO 66 -16.460 -5.035 -5.629 476 2HG PRO 66 2HG PRO 66 -17.553 -4.514 -4.312 477 1HD PRO 66 1HD PRO 66 -16.667 -2.751 -6.127 478 2HD PRO 66 2HD PRO 66 -16.719 -2.274 -4.414 479 H GLY 67 H GLY 67 -12.513 -5.727 -3.644 480 1HA GLY 67 1HA GLY 67 -11.489 -7.444 -4.763 481 2HA GLY 67 2HA GLY 67 -12.372 -7.050 -6.238 482 H GLU 68 H GLU 68 -11.607 -4.499 -6.770 483 HA GLU 68 HA GLU 68 -9.546 -4.427 -8.376 484 1HB GLU 68 1HB GLU 68 -10.148 -2.287 -6.304 485 2HB GLU 68 2HB GLU 68 -9.150 -2.021 -7.741 486 1HG GLU 68 1HG GLU 68 -12.090 -2.854 -7.796 487 2HG GLU 68 2HG GLU 68 -11.470 -1.222 -8.036 488 H THR 69 H THR 69 -7.482 -5.050 -8.439 489 HA THR 69 HA THR 69 -5.837 -5.156 -5.985 490 HB THR 69 HB THR 69 -4.474 -6.652 -7.570 491 HG1 THR 69 HG1 THR 69 -5.545 -5.824 -9.444 492 1HG2 THR 69 1HG2 THR 69 -5.912 -7.513 -5.785 493 2HG2 THR 69 2HG2 THR 69 -7.312 -7.503 -6.887 494 3HG2 THR 69 3HG2 THR 69 -5.933 -8.576 -7.211 495 OH TYR 70 OH TYR 70 1.967 1.447 -7.284 496 H TYR 70 H TYR 70 -4.278 -3.652 -5.768 497 HA TYR 70 HA TYR 70 -3.085 -2.373 -8.212 498 1HB TYR 70 1HB TYR 70 -3.732 -0.691 -6.659 499 2HB TYR 70 2HB TYR 70 -3.035 -1.559 -5.291 500 HD1 TYR 70 HD1 TYR 70 -1.884 -0.446 -8.722 501 HD2 TYR 70 HD2 TYR 70 -1.050 -0.526 -4.488 502 HE1 TYR 70 HE1 TYR 70 0.267 0.703 -9.119 503 HE2 TYR 70 HE2 TYR 70 1.075 0.685 -4.893 504 HH TYR 70 HH TYR 70 2.473 1.673 -6.495 505 H VAL 71 H VAL 71 -1.328 -3.458 -8.934 506 HA VAL 71 HA VAL 71 0.220 -5.100 -7.028 507 HB VAL 71 HB VAL 71 0.322 -5.133 -10.060 508 1HG1 VAL 71 1HG1 VAL 71 1.284 -7.040 -7.879 509 2HG1 VAL 71 2HG1 VAL 71 1.334 -7.388 -9.621 510 3HG1 VAL 71 3HG1 VAL 71 2.316 -6.077 -8.952 511 1HG2 VAL 71 1HG2 VAL 71 -1.046 -7.229 -9.836 512 2HG2 VAL 71 2HG2 VAL 71 -1.312 -6.832 -8.127 513 3HG2 VAL 71 3HG2 VAL 71 -1.948 -5.774 -9.403 514 H VAL 72 H VAL 72 2.387 -4.620 -6.585 515 HA VAL 72 HA VAL 72 3.803 -2.679 -8.289 516 HB VAL 72 HB VAL 72 2.588 -1.284 -6.671 517 1HG1 VAL 72 1HG1 VAL 72 4.224 -2.659 -4.495 518 2HG1 VAL 72 2HG1 VAL 72 3.141 -1.270 -4.307 519 3HG1 VAL 72 3HG1 VAL 72 2.476 -2.854 -4.759 520 1HG2 VAL 72 1HG2 VAL 72 5.583 -1.262 -6.128 521 2HG2 VAL 72 2HG2 VAL 72 4.784 -0.556 -7.554 522 3HG2 VAL 72 3HG2 VAL 72 4.447 0.077 -5.936 523 H THR 73 H THR 73 6.094 -2.751 -7.996 524 HA THR 73 HA THR 73 7.080 -5.173 -6.540 525 HB THR 73 HB THR 73 8.104 -3.994 -9.162 526 HG1 THR 73 HG1 THR 73 6.001 -4.917 -9.330 527 1HG2 THR 73 1HG2 THR 73 9.805 -5.282 -7.926 528 2HG2 THR 73 2HG2 THR 73 8.636 -6.598 -7.686 529 3HG2 THR 73 3HG2 THR 73 9.234 -6.228 -9.315 530 H LEU 74 H LEU 74 8.696 -4.731 -5.083 531 HA LEU 74 HA LEU 74 9.992 -2.026 -5.164 532 1HB LEU 74 1HB LEU 74 9.523 -3.819 -2.769 533 2HB LEU 74 2HB LEU 74 10.263 -2.207 -2.798 534 HG LEU 74 HG LEU 74 7.357 -2.847 -3.481 535 1HD1 LEU 74 1HD1 LEU 74 6.827 -1.664 -1.411 536 2HD1 LEU 74 2HD1 LEU 74 7.910 -3.017 -1.061 537 3HD1 LEU 74 3HD1 LEU 74 8.545 -1.357 -1.102 538 1HD2 LEU 74 1HD2 LEU 74 8.848 -0.191 -3.358 539 2HD2 LEU 74 2HD2 LEU 74 8.056 -0.898 -4.785 540 3HD2 LEU 74 3HD2 LEU 74 7.081 -0.345 -3.424 541 H ASP 75 H ASP 75 12.050 -2.060 -5.722 542 HA ASP 75 HA ASP 75 13.541 -4.609 -5.843 543 1HB ASP 75 1HB ASP 75 13.521 -3.275 -7.843 544 2HB ASP 75 2HB ASP 75 14.030 -1.823 -6.969 545 H THR 76 H THR 76 14.335 -1.230 -4.811 546 HA THR 76 HA THR 76 16.732 -1.994 -3.556 547 HB THR 76 HB THR 76 15.066 0.472 -2.921 548 HG1 THR 76 HG1 THR 76 16.552 -0.151 -5.256 549 1HG2 THR 76 1HG2 THR 76 18.072 0.050 -3.228 550 2HG2 THR 76 2HG2 THR 76 17.255 1.587 -2.874 551 3HG2 THR 76 3HG2 THR 76 17.192 0.267 -1.695 552 H LYS 77 H LYS 77 17.210 -2.571 -1.474 553 HA LYS 77 HA LYS 77 15.091 -3.574 0.177 554 1HB LYS 77 1HB LYS 77 18.068 -3.191 0.758 555 2HB LYS 77 2HB LYS 77 16.955 -4.192 1.705 556 1HG LYS 77 1HG LYS 77 16.546 -5.614 -0.272 557 2HG LYS 77 2HG LYS 77 17.675 -4.652 -1.230 558 1HD LYS 77 1HD LYS 77 19.516 -5.231 0.344 559 2HD LYS 77 2HD LYS 77 18.390 -6.208 1.297 560 1HE LYS 77 1HE LYS 77 19.710 -7.643 -0.184 561 2HE LYS 77 2HE LYS 77 18.010 -7.691 -0.678 562 1HZ LYS 77 1HZ LYS 77 20.095 -6.044 -1.933 563 2HZ LYS 77 2HZ LYS 77 19.511 -7.467 -2.522 564 3HZ LYS 77 3HZ LYS 77 18.522 -6.158 -2.419 565 H GLY 78 H GLY 78 14.670 -3.020 2.396 566 1HA GLY 78 1HA GLY 78 15.439 -1.264 4.145 567 2HA GLY 78 2HA GLY 78 14.886 -0.080 2.947 568 H THR 79 H THR 79 13.665 0.203 5.235 569 HA THR 79 HA THR 79 11.152 -1.341 5.305 570 HB THR 79 HB THR 79 12.142 0.861 7.155 571 HG1 THR 79 HG1 THR 79 12.852 -0.912 8.424 572 1HG2 THR 79 1HG2 THR 79 10.588 -0.219 8.755 573 2HG2 THR 79 2HG2 THR 79 9.714 0.322 7.311 574 3HG2 THR 79 3HG2 THR 79 10.110 -1.399 7.518 575 OH TYR 80 OH TYR 80 12.429 0.169 -2.315 576 H TYR 80 H TYR 80 9.622 -0.610 3.920 577 HA TYR 80 HA TYR 80 9.498 2.290 3.271 578 1HB TYR 80 1HB TYR 80 8.391 -0.194 1.920 579 2HB TYR 80 2HB TYR 80 7.899 1.429 1.482 580 HD1 TYR 80 HD1 TYR 80 11.111 -0.485 1.957 581 HD2 TYR 80 HD2 TYR 80 8.804 2.188 -0.506 582 HE1 TYR 80 HE1 TYR 80 12.764 -0.722 0.170 583 HE2 TYR 80 HE2 TYR 80 10.397 1.830 -2.362 584 HH TYR 80 HH TYR 80 13.038 -0.546 -2.098 585 H SER 81 H SER 81 7.874 3.466 4.185 586 HA SER 81 HA SER 81 5.630 2.022 5.505 587 1HB SER 81 1HB SER 81 6.361 4.947 5.660 588 2HB SER 81 2HB SER 81 5.303 4.037 6.752 589 HG SER 81 HG SER 81 8.106 3.699 6.345 590 H PHE 82 H PHE 82 3.441 2.375 4.886 591 HA PHE 82 HA PHE 82 2.952 4.305 2.713 592 1HB PHE 82 1HB PHE 82 1.728 2.620 1.390 593 2HB PHE 82 2HB PHE 82 3.414 2.316 1.494 594 HD1 PHE 82 HD1 PHE 82 0.155 1.359 3.106 595 HD2 PHE 82 HD2 PHE 82 4.187 0.066 2.185 596 HE1 PHE 82 HE1 PHE 82 -0.240 -0.769 4.263 597 HE2 PHE 82 HE2 PHE 82 3.705 -2.101 3.235 598 HZ PHE 82 HZ PHE 82 1.527 -2.508 4.350 599 OH TYR 83 OH TYR 83 0.619 10.705 1.129 600 H TYR 83 H TYR 83 0.732 4.577 2.213 601 HA TYR 83 HA TYR 83 -1.194 4.075 4.379 602 1HB TYR 83 1HB TYR 83 -1.645 6.413 4.763 603 2HB TYR 83 2HB TYR 83 0.067 6.118 5.060 604 HD1 TYR 83 HD2 TYR 83 1.794 7.000 3.486 605 HD2 TYR 83 HD1 TYR 83 -2.396 7.800 2.910 606 HE1 TYR 83 HE2 TYR 83 2.353 9.005 2.132 607 HE2 TYR 83 HE1 TYR 83 -1.836 9.849 1.634 608 HH TYR 83 HH TYR 83 -0.146 11.195 0.824 609 H CYS 84 H CYS 84 -3.345 4.783 3.881 610 HA CYS 84 HA CYS 84 -3.950 4.744 0.930 611 1HB CYS 84 1HB CYS 84 -5.005 2.902 2.059 612 2HB CYS 84 2HB CYS 84 -5.412 3.946 3.429 613 H SER 85 H SER 85 -4.112 6.798 0.202 614 HA SER 85 HA SER 85 -4.255 9.022 1.662 615 1HB SER 85 1HB SER 85 -5.515 8.957 -1.090 616 2HB SER 85 2HB SER 85 -4.587 10.243 -0.304 617 HG SER 85 HG SER 85 -2.796 8.782 -0.324 618 HA PRO 86 HA PRO 86 -8.974 9.706 1.461 619 1HB PRO 86 1HB PRO 86 -10.689 7.579 1.049 620 2HB PRO 86 2HB PRO 86 -10.073 8.661 -0.227 621 1HG PRO 86 1HG PRO 86 -8.971 5.978 0.598 622 2HG PRO 86 2HG PRO 86 -9.342 6.542 -1.057 623 1HD PRO 86 1HD PRO 86 -6.814 6.666 -0.159 624 2HD PRO 86 2HD PRO 86 -7.509 8.035 -1.064 625 H HIS 87 H HIS 87 -7.220 7.306 3.184 626 HA HIS 87 HA HIS 87 -8.984 7.754 5.537 627 1HB HIS 87 1HB HIS 87 -7.775 5.114 4.688 628 2HB HIS 87 2HB HIS 87 -8.642 5.416 6.201 629 HD2 HIS 87 HD2 HIS 87 -11.270 6.655 5.595 630 HE1 HIS 87 HE1 HIS 87 -11.912 3.826 2.497 631 HE2 HIS 87 HE2 HIS 87 -13.025 5.509 4.033 632 H GLN 88 H GLN 88 -6.267 8.834 4.368 633 HA GLN 88 HA GLN 88 -4.281 7.845 6.138 634 1HB GLN 88 1HB GLN 88 -2.965 9.661 5.417 635 2HB GLN 88 2HB GLN 88 -3.880 9.052 4.044 636 1HG GLN 88 1HG GLN 88 -5.482 11.000 4.341 637 2HG GLN 88 2HG GLN 88 -4.379 11.638 5.565 638 1HE2 GLN 88 1HE2 GLN 88 -1.905 12.683 3.218 639 2HE2 GLN 88 2HE2 GLN 88 -2.225 12.333 4.905 640 H GLY 89 H GLY 89 -6.627 10.509 6.385 641 1HA GLY 89 1HA GLY 89 -5.796 11.590 8.882 642 2HA GLY 89 2HA GLY 89 -7.431 11.680 8.194 643 H ALA 90 H ALA 90 -8.032 8.916 8.040 644 HA ALA 90 HA ALA 90 -8.904 8.376 10.721 645 1HB ALA 90 1HB ALA 90 -10.145 7.628 8.710 646 2HB ALA 90 2HB ALA 90 -8.816 6.516 8.309 647 3HB ALA 90 3HB ALA 90 -9.753 6.277 9.793 648 H GLY 91 H GLY 91 -6.153 7.323 8.759 649 1HA GLY 91 1HA GLY 91 -4.067 6.825 9.818 650 2HA GLY 91 2HA GLY 91 -4.897 6.060 11.173 651 H MET 92 H MET 92 -5.749 5.535 7.725 652 HA MET 92 HA MET 92 -5.286 2.661 8.088 653 1HB MET 92 1HB MET 92 -7.193 3.747 6.775 654 2HB MET 92 2HB MET 92 -6.000 4.058 5.509 655 1HG MET 92 1HG MET 92 -5.574 1.371 6.122 656 2HG MET 92 2HG MET 92 -7.294 1.554 6.438 657 1HE MET 92 1HE MET 92 -6.024 -0.569 4.560 658 2HE MET 92 2HE MET 92 -7.078 -0.497 3.134 659 3HE MET 92 3HE MET 92 -7.792 -0.438 4.762 660 H VAL 93 H VAL 93 -3.070 2.518 8.461 661 HA VAL 93 HA VAL 93 -1.247 3.077 6.183 662 HB VAL 93 HB VAL 93 0.455 3.833 7.743 663 1HG1 VAL 93 1HG1 VAL 93 -0.418 5.982 8.330 664 2HG1 VAL 93 2HG1 VAL 93 -1.233 5.484 6.838 665 3HG1 VAL 93 3HG1 VAL 93 -2.085 5.386 8.384 666 1HG2 VAL 93 1HG2 VAL 93 -1.644 3.524 9.936 667 2HG2 VAL 93 2HG2 VAL 93 -0.187 2.523 9.753 668 3HG2 VAL 93 3HG2 VAL 93 -0.038 4.247 10.121 669 H GLY 94 H GLY 94 0.917 1.956 6.475 670 1HA GLY 94 1HA GLY 94 1.106 -0.392 8.090 671 2HA GLY 94 2HA GLY 94 0.632 -0.821 6.439 672 H LYS 95 H LYS 95 3.008 -1.830 6.936 673 HA LYS 95 HA LYS 95 4.908 -0.121 5.507 674 1HB LYS 95 1HB LYS 95 5.745 -1.411 8.142 675 2HB LYS 95 2HB LYS 95 6.707 -0.387 7.075 676 1HG LYS 95 1HG LYS 95 5.085 1.515 7.598 677 2HG LYS 95 2HG LYS 95 4.380 0.466 8.841 678 1HD LYS 95 1HD LYS 95 6.621 0.288 9.923 679 2HD LYS 95 2HD LYS 95 7.307 1.331 8.656 680 1HE LYS 95 1HE LYS 95 5.822 3.181 9.325 681 2HE LYS 95 2HE LYS 95 5.087 2.157 10.579 682 1HZ LYS 95 1HZ LYS 95 6.763 3.587 11.461 683 2HZ LYS 95 2HZ LYS 95 7.234 2.015 11.618 684 3HZ LYS 95 3HZ LYS 95 7.905 2.970 10.451 685 H VAL 96 H VAL 96 6.705 -1.291 4.637 686 HA VAL 96 HA VAL 96 6.491 -4.237 4.727 687 HB VAL 96 HB VAL 96 5.192 -3.731 2.882 688 1HG1 VAL 96 1HG1 VAL 96 7.432 -2.145 1.578 689 2HG1 VAL 96 2HG1 VAL 96 5.787 -2.390 0.973 690 3HG1 VAL 96 3HG1 VAL 96 6.057 -1.367 2.393 691 1HG2 VAL 96 1HG2 VAL 96 6.315 -4.862 1.118 692 2HG2 VAL 96 2HG2 VAL 96 7.912 -4.468 1.777 693 3HG2 VAL 96 3HG2 VAL 96 6.832 -5.576 2.662 694 H THR 97 H THR 97 8.348 -5.133 5.000 695 HA THR 97 HA THR 97 10.843 -3.533 4.870 696 HB THR 97 HB THR 97 10.890 -6.389 5.755 697 HG1 THR 97 HG1 THR 97 8.977 -5.292 6.776 698 1HG2 THR 97 1HG2 THR 97 12.490 -5.513 7.354 699 2HG2 THR 97 2HG2 THR 97 12.913 -4.979 5.712 700 3HG2 THR 97 3HG2 THR 97 12.138 -3.850 6.848 701 H VAL 98 H VAL 98 11.589 -3.438 2.747 702 HA VAL 98 HA VAL 98 11.244 -5.731 0.968 703 HB VAL 98 HB VAL 98 12.713 -3.099 0.564 704 1HG1 VAL 98 1HG1 VAL 98 11.684 -5.227 -1.380 705 2HG1 VAL 98 2HG1 VAL 98 12.377 -3.667 -1.851 706 3HG1 VAL 98 3HG1 VAL 98 13.389 -4.869 -1.035 707 1HG2 VAL 98 1HG2 VAL 98 10.651 -2.441 -0.632 708 2HG2 VAL 98 2HG2 VAL 98 9.872 -3.960 -0.141 709 3HG2 VAL 98 3HG2 VAL 98 10.302 -2.733 1.067 710 H ASN 99 H ASN 99 12.558 -7.428 1.294 711 HA ASN 99 HA ASN 99 15.251 -7.043 2.524 712 1HB ASN 99 1HB ASN 99 13.704 -9.610 2.022 713 2HB ASN 99 2HB ASN 99 15.201 -9.433 2.933 714 1HD2 ASN 99 1HD2 ASN 99 13.495 -7.848 5.749 715 2HD2 ASN 99 2HD2 ASN 99 14.980 -7.694 4.833 Start of MODEL 9 Raw file had 715 H/Q atoms Start of MODEL 9 1 H LEU 1 H LEU 1 3.433 -10.064 -2.971 2 HA LEU 1 HA LEU 1 2.362 -12.098 -1.194 3 1HB LEU 1 1HB LEU 1 4.219 -11.245 0.089 4 2HB LEU 1 2HB LEU 1 3.600 -9.589 0.023 5 HG LEU 1 HG LEU 1 1.807 -11.745 1.153 6 1HD1 LEU 1 1HD1 LEU 1 4.197 -10.588 2.650 7 2HD1 LEU 1 2HD1 LEU 1 2.879 -11.529 3.380 8 3HD1 LEU 1 3HD1 LEU 1 3.956 -12.288 2.194 9 1HD2 LEU 1 1HD2 LEU 1 1.068 -9.967 2.624 10 2HD2 LEU 1 2HD2 LEU 1 2.424 -8.927 2.158 11 3HD2 LEU 1 3HD2 LEU 1 1.141 -9.274 0.999 12 H GLU 2 H GLU 2 0.270 -11.738 -0.601 13 HA GLU 2 HA GLU 2 -1.162 -9.566 -2.015 14 1HB GLU 2 1HB GLU 2 -2.106 -12.149 -0.713 15 2HB GLU 2 2HB GLU 2 -3.174 -10.926 -1.422 16 1HG GLU 2 1HG GLU 2 -2.033 -11.133 -3.591 17 2HG GLU 2 2HG GLU 2 -0.964 -12.389 -2.939 18 H VAL 3 H VAL 3 -1.973 -7.878 -0.999 19 HA VAL 3 HA VAL 3 -2.224 -7.901 1.980 20 HB VAL 3 HB VAL 3 -1.584 -5.553 0.157 21 1HG1 VAL 3 1HG1 VAL 3 -1.689 -5.835 3.194 22 2HG1 VAL 3 2HG1 VAL 3 -1.118 -4.402 2.323 23 3HG1 VAL 3 3HG1 VAL 3 -2.815 -4.897 2.188 24 1HG2 VAL 3 1HG2 VAL 3 0.268 -7.070 2.036 25 2HG2 VAL 3 2HG2 VAL 3 0.361 -7.051 0.260 26 3HG2 VAL 3 3HG2 VAL 3 0.646 -5.567 1.173 27 H LEU 4 H LEU 4 -4.331 -7.767 2.614 28 HA LEU 4 HA LEU 4 -6.381 -6.977 0.620 29 1HB LEU 4 1HB LEU 4 -6.691 -8.012 3.454 30 2HB LEU 4 2HB LEU 4 -7.979 -7.722 2.296 31 HG LEU 4 HG LEU 4 -5.805 -9.843 2.153 32 1HD1 LEU 4 1HD1 LEU 4 -8.855 -9.986 2.213 33 2HD1 LEU 4 2HD1 LEU 4 -7.737 -11.367 2.213 34 3HD1 LEU 4 3HD1 LEU 4 -7.785 -10.268 3.606 35 1HD2 LEU 4 1HD2 LEU 4 -6.069 -9.083 -0.142 36 2HD2 LEU 4 2HD2 LEU 4 -6.946 -10.602 0.042 37 3HD2 LEU 4 3HD2 LEU 4 -7.845 -9.070 0.016 38 H LEU 5 H LEU 5 -7.251 -5.031 0.537 39 HA LEU 5 HA LEU 5 -6.577 -2.971 2.536 40 1HB LEU 5 1HB LEU 5 -8.160 -2.869 -0.023 41 2HB LEU 5 2HB LEU 5 -7.725 -1.472 0.959 42 HG LEU 5 HG LEU 5 -5.619 -3.308 -0.267 43 1HD1 LEU 5 1HD1 LEU 5 -6.843 -0.772 -1.427 44 2HD1 LEU 5 2HD1 LEU 5 -5.391 -1.587 -2.043 45 3HD1 LEU 5 3HD1 LEU 5 -6.956 -2.407 -2.111 46 1HD2 LEU 5 1HD2 LEU 5 -4.174 -1.352 0.073 47 2HD2 LEU 5 2HD2 LEU 5 -5.537 -0.406 0.704 48 3HD2 LEU 5 3HD2 LEU 5 -4.934 -1.808 1.608 49 H GLY 6 H GLY 6 -7.700 -3.487 4.386 50 1HA GLY 6 1HA GLY 6 -9.601 -2.925 5.610 51 2HA GLY 6 2HA GLY 6 -10.683 -3.425 4.303 52 H SER 7 H SER 7 -10.089 -4.441 7.288 53 HA SER 7 HA SER 7 -9.318 -7.230 6.790 54 1HB SER 7 1HB SER 7 -9.670 -7.358 9.282 55 2HB SER 7 2HB SER 7 -8.552 -6.124 8.667 56 HG SER 7 HG SER 7 -11.234 -5.691 9.494 57 H GLY 8 H GLY 8 -11.460 -6.620 5.327 58 1HA GLY 8 1HA GLY 8 -13.442 -7.603 4.586 59 2HA GLY 8 2HA GLY 8 -13.384 -8.687 5.983 60 H ASP 9 H ASP 9 -13.598 -7.171 8.115 61 HA ASP 9 HA ASP 9 -16.387 -6.456 8.195 62 1HB ASP 9 1HB ASP 9 -16.055 -6.272 10.544 63 2HB ASP 9 2HB ASP 9 -15.063 -7.633 10.011 64 H GLY 10 H GLY 10 -14.897 -4.658 6.456 65 1HA GLY 10 1HA GLY 10 -14.985 -2.448 5.876 66 2HA GLY 10 2HA GLY 10 -16.042 -2.171 7.262 67 H SER 11 H SER 11 -13.502 -3.364 8.875 68 HA SER 11 HA SER 11 -12.697 -0.790 9.740 69 1HB SER 11 1HB SER 11 -12.529 -2.748 11.174 70 2HB SER 11 2HB SER 11 -11.146 -3.338 10.220 71 HG SER 11 HG SER 11 -11.345 -1.034 11.846 72 H LEU 12 H LEU 12 -11.242 0.543 9.131 73 HA LEU 12 HA LEU 12 -9.999 0.325 6.530 74 1HB LEU 12 1HB LEU 12 -9.881 2.483 8.684 75 2HB LEU 12 2HB LEU 12 -9.415 2.694 6.998 76 HG LEU 12 HG LEU 12 -12.257 2.001 7.888 77 1HD1 LEU 12 1HD1 LEU 12 -11.634 4.195 8.737 78 2HD1 LEU 12 2HD1 LEU 12 -11.012 4.672 7.149 79 3HD1 LEU 12 3HD1 LEU 12 -12.749 4.371 7.372 80 1HD2 LEU 12 1HD2 LEU 12 -12.806 2.752 5.571 81 2HD2 LEU 12 2HD2 LEU 12 -11.064 2.816 5.221 82 3HD2 LEU 12 3HD2 LEU 12 -11.839 1.273 5.622 83 H VAL 13 H VAL 13 -8.726 -1.599 7.328 84 HA VAL 13 HA VAL 13 -5.998 -0.616 8.043 85 HB VAL 13 HB VAL 13 -5.630 -2.592 9.441 86 1HG1 VAL 13 1HG1 VAL 13 -6.831 -1.846 11.409 87 2HG1 VAL 13 2HG1 VAL 13 -6.341 -0.430 10.461 88 3HG1 VAL 13 3HG1 VAL 13 -8.028 -0.989 10.425 89 1HG2 VAL 13 1HG2 VAL 13 -7.326 -4.125 8.505 90 2HG2 VAL 13 2HG2 VAL 13 -7.504 -3.958 10.256 91 3HG2 VAL 13 3HG2 VAL 13 -8.626 -3.115 9.175 92 H PHE 14 H PHE 14 -4.280 -1.756 7.168 93 HA PHE 14 HA PHE 14 -4.865 -3.300 4.706 94 1HB PHE 14 1HB PHE 14 -2.308 -2.263 6.010 95 2HB PHE 14 2HB PHE 14 -2.331 -3.278 4.587 96 HD1 PHE 14 HD1 PHE 14 -3.268 0.086 5.905 97 HD2 PHE 14 HD2 PHE 14 -2.511 -2.334 2.412 98 HE1 PHE 14 HE1 PHE 14 -2.966 2.117 4.524 99 HE2 PHE 14 HE2 PHE 14 -2.113 -0.313 1.103 100 HZ PHE 14 HZ PHE 14 -2.488 1.934 2.096 101 H VAL 15 H VAL 15 -4.602 -5.577 4.689 102 HA VAL 15 HA VAL 15 -3.460 -6.832 7.171 103 HB VAL 15 HB VAL 15 -5.723 -7.868 5.460 104 1HG1 VAL 15 1HG1 VAL 15 -4.472 -8.912 8.041 105 2HG1 VAL 15 2HG1 VAL 15 -5.916 -9.570 7.245 106 3HG1 VAL 15 3HG1 VAL 15 -4.346 -9.680 6.442 107 1HG2 VAL 15 1HG2 VAL 15 -7.054 -7.502 7.535 108 2HG2 VAL 15 2HG2 VAL 15 -5.691 -6.604 8.232 109 3HG2 VAL 15 3HG2 VAL 15 -6.524 -5.990 6.783 110 HA PRO 16 HA PRO 16 -1.629 -7.851 7.713 111 1HB PRO 16 1HB PRO 16 1.055 -7.880 7.418 112 2HB PRO 16 2HB PRO 16 0.063 -9.361 7.299 113 1HG PRO 16 1HG PRO 16 1.048 -7.636 5.003 114 2HG PRO 16 2HG PRO 16 1.234 -9.404 5.191 115 1HD PRO 16 1HD PRO 16 -0.788 -8.323 3.731 116 2HD PRO 16 2HD PRO 16 -1.089 -9.754 4.748 117 H SER 17 H SER 17 -0.867 -6.024 8.891 118 HA SER 17 HA SER 17 -0.916 -3.496 7.464 119 1HB SER 17 1HB SER 17 -0.303 -3.824 10.410 120 2HB SER 17 2HB SER 17 -1.182 -2.535 9.567 121 HG SER 17 HG SER 17 -2.732 -4.319 9.042 122 H GLU 18 H GLU 18 1.435 -5.310 9.447 123 HA GLU 18 HA GLU 18 3.706 -3.704 8.362 124 1HB GLU 18 1HB GLU 18 3.248 -3.316 10.780 125 2HB GLU 18 2HB GLU 18 3.386 -5.060 11.067 126 1HG GLU 18 1HG GLU 18 5.752 -4.984 10.250 127 2HG GLU 18 2HG GLU 18 5.592 -3.238 9.993 128 H PHE 19 H PHE 19 5.143 -5.024 7.175 129 HA PHE 19 HA PHE 19 5.427 -7.835 7.903 130 1HB PHE 19 1HB PHE 19 4.626 -8.805 5.844 131 2HB PHE 19 2HB PHE 19 3.343 -7.896 6.583 132 HD1 PHE 19 HD1 PHE 19 2.758 -5.555 5.671 133 HD2 PHE 19 HD2 PHE 19 5.264 -8.382 3.572 134 HE1 PHE 19 HE1 PHE 19 2.118 -4.543 3.514 135 HE2 PHE 19 HE2 PHE 19 4.680 -7.296 1.430 136 HZ PHE 19 HZ PHE 19 3.115 -5.367 1.397 137 H SER 20 H SER 20 6.683 -8.944 5.888 138 HA SER 20 HA SER 20 8.827 -7.164 4.981 139 1HB SER 20 1HB SER 20 9.219 -9.926 6.237 140 2HB SER 20 2HB SER 20 10.489 -8.876 5.585 141 HG SER 20 HG SER 20 8.772 -8.186 7.749 142 H VAL 21 H VAL 21 9.735 -7.894 2.919 143 HA VAL 21 HA VAL 21 8.437 -10.215 1.682 144 HB VAL 21 HB VAL 21 6.964 -8.290 1.313 145 1HG1 VAL 21 1HG1 VAL 21 7.602 -6.376 -0.017 146 2HG1 VAL 21 2HG1 VAL 21 8.702 -6.468 1.368 147 3HG1 VAL 21 3HG1 VAL 21 9.244 -6.985 -0.241 148 1HG2 VAL 21 1HG2 VAL 21 7.152 -10.050 -0.392 149 2HG2 VAL 21 2HG2 VAL 21 6.783 -8.467 -1.110 150 3HG2 VAL 21 3HG2 VAL 21 8.438 -9.105 -1.191 151 HA PRO 22 HA PRO 22 12.651 -10.654 0.248 152 1HB PRO 22 1HB PRO 22 11.359 -11.758 -2.254 153 2HB PRO 22 2HB PRO 22 12.745 -12.414 -1.337 154 1HG PRO 22 1HG PRO 22 10.291 -13.516 -1.025 155 2HG PRO 22 2HG PRO 22 11.288 -13.170 0.423 156 1HD PRO 22 1HD PRO 22 9.028 -11.509 -0.721 157 2HD PRO 22 2HD PRO 22 9.341 -12.012 0.969 158 H SER 23 H SER 23 14.050 -9.265 -0.914 159 HA SER 23 HA SER 23 13.029 -6.965 -2.164 160 1HB SER 23 1HB SER 23 15.783 -8.215 -2.495 161 2HB SER 23 2HB SER 23 15.369 -6.498 -2.626 162 HG SER 23 HG SER 23 14.874 -6.499 -0.419 163 H GLY 24 H GLY 24 12.047 -6.804 -4.112 164 1HA GLY 24 1HA GLY 24 12.199 -7.003 -6.511 165 2HA GLY 24 2HA GLY 24 12.907 -8.610 -6.357 166 H GLU 25 H GLU 25 10.663 -8.978 -4.029 167 HA GLU 25 HA GLU 25 8.839 -10.214 -5.911 168 1HB GLU 25 1HB GLU 25 9.199 -10.218 -2.982 169 2HB GLU 25 2HB GLU 25 7.507 -10.276 -3.463 170 1HG GLU 25 1HG GLU 25 9.647 -12.147 -4.566 171 2HG GLU 25 2HG GLU 25 8.625 -12.514 -3.170 172 H LYS 26 H LYS 26 6.547 -9.866 -6.002 173 HA LYS 26 HA LYS 26 5.923 -7.014 -6.212 174 1HB LYS 26 1HB LYS 26 4.044 -7.804 -7.546 175 2HB LYS 26 2HB LYS 26 5.620 -8.244 -8.216 176 1HG LYS 26 1HG LYS 26 5.329 -10.564 -7.497 177 2HG LYS 26 2HG LYS 26 3.827 -10.158 -6.642 178 1HD LYS 26 1HD LYS 26 2.788 -9.482 -8.788 179 2HD LYS 26 2HD LYS 26 4.292 -9.870 -9.644 180 1HE LYS 26 1HE LYS 26 4.095 -12.240 -8.910 181 2HE LYS 26 2HE LYS 26 2.592 -11.848 -8.050 182 1HZ LYS 26 1HZ LYS 26 2.173 -12.780 -10.197 183 2HZ LYS 26 2HZ LYS 26 1.630 -11.225 -10.144 184 3HZ LYS 26 3HZ LYS 26 3.026 -11.585 -10.944 185 H ILE 27 H ILE 27 4.394 -6.005 -5.024 186 HA ILE 27 HA ILE 27 2.987 -7.555 -2.906 187 HB ILE 27 HB ILE 27 3.301 -4.564 -3.159 188 1HG1 ILE 27 1HG1 ILE 27 4.937 -6.470 -1.414 189 2HG1 ILE 27 2HG1 ILE 27 5.547 -5.681 -2.875 190 1HG2 ILE 27 1HG2 ILE 27 2.561 -4.575 -0.803 191 2HG2 ILE 27 2HG2 ILE 27 1.374 -5.383 -1.811 192 3HG2 ILE 27 3HG2 ILE 27 2.490 -6.349 -0.827 193 1HD1 ILE 27 1HD1 ILE 27 4.689 -4.252 -0.341 194 2HD1 ILE 27 2HD1 ILE 27 6.319 -4.438 -1.000 195 3HD1 ILE 27 3HD1 ILE 27 5.127 -3.452 -1.869 196 H VAL 28 H VAL 28 0.818 -7.765 -3.140 197 HA VAL 28 HA VAL 28 -0.582 -6.357 -5.398 198 HB VAL 28 HB VAL 28 -1.030 -9.128 -4.236 199 1HG1 VAL 28 1HG1 VAL 28 -2.413 -7.679 -6.536 200 2HG1 VAL 28 2HG1 VAL 28 -2.616 -9.396 -6.134 201 3HG1 VAL 28 3HG1 VAL 28 -3.157 -8.158 -4.997 202 1HG2 VAL 28 1HG2 VAL 28 0.106 -8.280 -6.925 203 2HG2 VAL 28 2HG2 VAL 28 1.007 -9.061 -5.609 204 3HG2 VAL 28 3HG2 VAL 28 -0.282 -9.940 -6.437 205 H PHE 29 H PHE 29 -1.480 -4.635 -4.322 206 HA PHE 29 HA PHE 29 -2.830 -5.004 -1.722 207 1HB PHE 29 1HB PHE 29 -2.524 -2.612 -3.543 208 2HB PHE 29 2HB PHE 29 -3.328 -2.602 -1.983 209 HD1 PHE 29 HD2 PHE 29 -2.064 -3.008 0.113 210 HD2 PHE 29 HD1 PHE 29 -0.113 -2.511 -3.691 211 HE1 PHE 29 HE2 PHE 29 0.058 -2.393 1.284 212 HE2 PHE 29 HE1 PHE 29 2.016 -1.969 -2.512 213 HZ PHE 29 HZ PHE 29 2.092 -1.885 -0.038 214 H LYS 30 H LYS 30 -4.712 -6.178 -1.947 215 HA LYS 30 HA LYS 30 -6.488 -5.707 -4.279 216 1HB LYS 30 1HB LYS 30 -5.711 -7.986 -3.702 217 2HB LYS 30 2HB LYS 30 -6.557 -7.853 -2.157 218 1HG LYS 30 1HG LYS 30 -8.726 -7.632 -3.325 219 2HG LYS 30 2HG LYS 30 -7.886 -7.590 -4.886 220 1HD LYS 30 1HD LYS 30 -7.014 -9.901 -4.459 221 2HD LYS 30 2HD LYS 30 -7.880 -9.921 -2.915 222 1HE LYS 30 1HE LYS 30 -9.177 -11.125 -4.581 223 2HE LYS 30 2HE LYS 30 -10.043 -9.646 -4.145 224 1HZ LYS 30 1HZ LYS 30 -9.185 -8.645 -6.168 225 2HZ LYS 30 2HZ LYS 30 -8.361 -10.026 -6.532 226 3HZ LYS 30 3HZ LYS 30 -10.005 -10.031 -6.504 227 H ASN 31 H ASN 31 -8.333 -4.589 -4.141 228 HA ASN 31 HA ASN 31 -9.196 -3.255 -1.779 229 1HB ASN 31 1HB ASN 31 -9.727 -2.432 -4.028 230 2HB ASN 31 2HB ASN 31 -10.676 -3.882 -4.374 231 1HD2 ASN 31 1HD2 ASN 31 -13.354 -1.658 -3.435 232 2HD2 ASN 31 2HD2 ASN 31 -12.450 -2.336 -4.778 233 H ASN 32 H ASN 32 -10.006 -4.361 0.030 234 HA ASN 32 HA ASN 32 -11.660 -6.790 -0.459 235 1HB ASN 32 1HB ASN 32 -9.627 -6.942 0.938 236 2HB ASN 32 2HB ASN 32 -10.361 -5.857 2.108 237 1HD2 ASN 32 1HD2 ASN 32 -11.392 -8.851 3.706 238 2HD2 ASN 32 2HD2 ASN 32 -10.238 -7.513 3.717 239 H ALA 33 H ALA 33 -11.561 -4.111 1.888 240 HA ALA 33 HA ALA 33 -14.426 -3.522 1.487 241 1HB ALA 33 1HB ALA 33 -14.512 -5.524 2.965 242 2HB ALA 33 2HB ALA 33 -13.454 -4.701 4.132 243 3HB ALA 33 3HB ALA 33 -15.086 -4.076 3.804 244 H GLY 34 H GLY 34 -15.174 -1.775 3.071 245 1HA GLY 34 1HA GLY 34 -14.893 0.293 4.026 246 2HA GLY 34 2HA GLY 34 -13.286 -0.228 4.553 247 H PHE 35 H PHE 35 -14.151 -0.302 1.172 248 HA PHE 35 HA PHE 35 -12.052 1.533 0.344 249 1HB PHE 35 1HB PHE 35 -12.713 0.679 -1.892 250 2HB PHE 35 2HB PHE 35 -12.422 -0.476 -0.655 251 HD1 PHE 35 HD2 PHE 35 -15.326 1.428 -2.058 252 HD2 PHE 35 HD1 PHE 35 -13.726 -2.336 -0.730 253 HE1 PHE 35 HE2 PHE 35 -17.549 0.344 -2.425 254 HE2 PHE 35 HE1 PHE 35 -15.951 -3.401 -0.995 255 HZ PHE 35 HZ PHE 35 -17.863 -2.067 -1.861 256 HA PRO 36 HA PRO 36 -12.492 2.623 -2.198 257 1HB PRO 36 1HB PRO 36 -11.823 5.055 -3.026 258 2HB PRO 36 2HB PRO 36 -13.422 4.355 -3.347 259 1HG PRO 36 1HG PRO 36 -12.716 6.225 -1.062 260 2HG PRO 36 2HG PRO 36 -14.043 6.408 -2.253 261 1HD PRO 36 1HD PRO 36 -14.486 5.243 0.170 262 2HD PRO 36 2HD PRO 36 -15.261 4.590 -1.299 263 H HIS 37 H HIS 37 -10.214 2.930 -2.674 264 HA HIS 37 HA HIS 37 -8.567 3.966 -0.467 265 1HB HIS 37 1HB HIS 37 -8.361 1.101 -1.487 266 2HB HIS 37 2HB HIS 37 -7.356 1.801 -0.227 267 HD2 HIS 37 HD2 HIS 37 -10.004 -0.591 -0.595 268 HE1 HIS 37 HE1 HIS 37 -10.343 0.714 3.424 269 HE2 HIS 37 HE2 HIS 37 -10.835 -1.173 1.801 270 H ASN 38 H ASN 38 -6.189 3.504 -0.957 271 HA ASN 38 HA ASN 38 -5.318 3.053 -3.611 272 1HB ASN 38 1HB ASN 38 -4.455 5.182 -4.175 273 2HB ASN 38 2HB ASN 38 -6.138 5.499 -3.765 274 1HD2 ASN 38 1HD2 ASN 38 -3.789 7.997 -2.101 275 2HD2 ASN 38 2HD2 ASN 38 -3.940 7.461 -3.775 276 H VAL 39 H VAL 39 -2.720 3.729 -3.351 277 HA VAL 39 HA VAL 39 -1.898 3.248 -0.541 278 HB VAL 39 HB VAL 39 -0.886 1.620 -2.905 279 1HG1 VAL 39 1HG1 VAL 39 0.329 0.378 -1.157 280 2HG1 VAL 39 2HG1 VAL 39 0.824 2.069 -1.157 281 3HG1 VAL 39 3HG1 VAL 39 -0.296 1.475 0.089 282 1HG2 VAL 39 1HG2 VAL 39 -1.927 -0.296 -1.588 283 2HG2 VAL 39 2HG2 VAL 39 -2.790 0.909 -0.630 284 3HG2 VAL 39 3HG2 VAL 39 -3.088 0.771 -2.375 285 H VAL 40 H VAL 40 -0.608 4.891 -0.064 286 HA VAL 40 HA VAL 40 1.242 5.946 -2.137 287 HB VAL 40 HB VAL 40 -0.192 7.444 0.099 288 1HG1 VAL 40 1HG1 VAL 40 2.058 8.383 -0.227 289 2HG1 VAL 40 2HG1 VAL 40 1.832 8.403 -1.984 290 3HG1 VAL 40 3HG1 VAL 40 0.869 9.468 -0.960 291 1HG2 VAL 40 1HG2 VAL 40 -1.692 7.001 -1.774 292 2HG2 VAL 40 2HG2 VAL 40 -1.217 8.705 -1.785 293 3HG2 VAL 40 3HG2 VAL 40 -0.474 7.579 -2.932 294 H PHE 41 H PHE 41 3.324 6.117 -1.520 295 HA PHE 41 HA PHE 41 4.080 4.840 1.051 296 1HB PHE 41 1HB PHE 41 5.522 5.386 -1.543 297 2HB PHE 41 2HB PHE 41 6.329 4.794 -0.105 298 HD1 PHE 41 HD1 PHE 41 5.778 2.623 0.912 299 HD2 PHE 41 HD2 PHE 41 3.970 3.844 -2.785 300 HE1 PHE 41 HE1 PHE 41 5.318 0.237 0.356 301 HE2 PHE 41 HE2 PHE 41 3.324 1.490 -3.245 302 HZ PHE 41 HZ PHE 41 4.043 -0.321 -1.702 303 H ASP 42 H ASP 42 4.997 6.011 2.663 304 HA ASP 42 HA ASP 42 4.835 8.859 2.636 305 1HB ASP 42 1HB ASP 42 4.660 7.526 4.684 306 2HB ASP 42 2HB ASP 42 6.335 6.981 4.483 307 H GLU 43 H GLU 43 6.128 10.200 1.568 308 HA GLU 43 HA GLU 43 8.358 9.566 0.091 309 1HB GLU 43 1HB GLU 43 8.804 12.029 0.046 310 2HB GLU 43 2HB GLU 43 7.191 11.533 -0.458 311 1HG GLU 43 1HG GLU 43 7.616 12.371 2.431 312 2HG GLU 43 2HG GLU 43 7.581 13.595 1.167 313 H ASP 44 H ASP 44 8.453 10.299 3.534 314 HA ASP 44 HA ASP 44 11.399 10.655 3.443 315 1HB ASP 44 1HB ASP 44 9.436 10.686 5.776 316 2HB ASP 44 2HB ASP 44 11.170 11.005 5.864 317 H GLU 45 H GLU 45 8.997 8.470 4.923 318 HA GLU 45 HA GLU 45 11.037 6.605 5.846 319 1HB GLU 45 1HB GLU 45 8.021 6.480 5.919 320 2HB GLU 45 2HB GLU 45 9.131 5.369 6.746 321 1HG GLU 45 1HG GLU 45 10.048 7.285 8.054 322 2HG GLU 45 2HG GLU 45 8.929 8.389 7.242 323 H ILE 46 H ILE 46 11.631 6.645 3.391 324 HA ILE 46 HA ILE 46 11.086 3.943 2.418 325 HB ILE 46 HB ILE 46 10.889 4.822 0.044 326 1HG1 ILE 46 1HG1 ILE 46 10.173 7.453 1.391 327 2HG1 ILE 46 2HG1 ILE 46 11.608 7.130 0.418 328 1HG2 ILE 46 1HG2 ILE 46 9.007 3.829 1.307 329 2HG2 ILE 46 2HG2 ILE 46 8.491 5.447 1.789 330 3HG2 ILE 46 3HG2 ILE 46 8.524 4.987 0.077 331 1HD1 ILE 46 1HD1 ILE 46 8.720 7.181 -0.513 332 2HD1 ILE 46 2HD1 ILE 46 10.070 8.214 -1.024 333 3HD1 ILE 46 3HD1 ILE 46 10.037 6.502 -1.494 334 HA PRO 47 HA PRO 47 15.431 4.358 1.858 335 1HB PRO 47 1HB PRO 47 15.969 2.775 -0.373 336 2HB PRO 47 2HB PRO 47 15.722 2.208 1.299 337 1HG PRO 47 1HG PRO 47 13.750 2.254 -0.974 338 2HG PRO 47 2HG PRO 47 13.988 0.998 0.286 339 1HD PRO 47 1HD PRO 47 11.966 2.858 0.373 340 2HD PRO 47 2HD PRO 47 12.726 2.200 1.846 341 H ALA 48 H ALA 48 16.271 6.193 1.258 342 HA ALA 48 HA ALA 48 15.394 8.038 -0.561 343 1HB ALA 48 1HB ALA 48 17.634 9.064 -0.374 344 2HB ALA 48 2HB ALA 48 17.032 8.511 1.200 345 3HB ALA 48 3HB ALA 48 18.267 7.566 0.337 346 H GLY 49 H GLY 49 15.253 8.090 -2.706 347 1HA GLY 49 1HA GLY 49 16.618 8.058 -4.810 348 2HA GLY 49 2HA GLY 49 17.042 6.384 -4.413 349 H VAL 50 H VAL 50 14.460 5.590 -3.297 350 HA VAL 50 HA VAL 50 13.130 5.070 -5.849 351 HB VAL 50 HB VAL 50 12.224 4.273 -3.059 352 1HG1 VAL 50 1HG1 VAL 50 11.598 3.247 -5.875 353 2HG1 VAL 50 2HG1 VAL 50 11.018 2.515 -4.373 354 3HG1 VAL 50 3HG1 VAL 50 10.482 4.143 -4.829 355 1HG2 VAL 50 1HG2 VAL 50 13.267 2.089 -3.623 356 2HG2 VAL 50 2HG2 VAL 50 14.012 2.816 -5.060 357 3HG2 VAL 50 3HG2 VAL 50 14.473 3.363 -3.431 358 H ASP 51 H ASP 51 12.330 6.998 -6.624 359 HA ASP 51 HA ASP 51 11.075 9.043 -5.197 360 1HB ASP 51 1HB ASP 51 11.837 9.210 -7.529 361 2HB ASP 51 2HB ASP 51 10.517 8.154 -8.048 362 H ALA 52 H ALA 52 9.372 8.943 -3.934 363 HA ALA 52 HA ALA 52 7.564 6.961 -3.466 364 1HB ALA 52 1HB ALA 52 7.033 9.948 -3.244 365 2HB ALA 52 2HB ALA 52 6.163 8.649 -2.396 366 3HB ALA 52 3HB ALA 52 7.877 8.940 -2.051 367 H VAL 53 H VAL 53 7.203 9.632 -5.829 368 HA VAL 53 HA VAL 53 4.509 9.166 -6.524 369 HB VAL 53 HB VAL 53 6.753 10.320 -8.232 370 1HG1 VAL 53 1HG1 VAL 53 4.885 11.560 -9.352 371 2HG1 VAL 53 2HG1 VAL 53 4.831 9.823 -9.652 372 3HG1 VAL 53 3HG1 VAL 53 3.723 10.552 -8.467 373 1HG2 VAL 53 1HG2 VAL 53 4.759 11.653 -6.338 374 2HG2 VAL 53 2HG2 VAL 53 6.514 11.552 -6.090 375 3HG2 VAL 53 3HG2 VAL 53 5.872 12.509 -7.423 376 H LYS 54 H LYS 54 7.420 7.381 -7.500 377 HA LYS 54 HA LYS 54 6.061 6.154 -9.798 378 1HB LYS 54 1HB LYS 54 8.699 5.467 -8.453 379 2HB LYS 54 2HB LYS 54 8.064 4.778 -9.957 380 1HG LYS 54 1HG LYS 54 8.012 7.059 -10.981 381 2HG LYS 54 2HG LYS 54 8.650 7.736 -9.487 382 1HD LYS 54 1HD LYS 54 10.484 7.529 -11.012 383 2HD LYS 54 2HD LYS 54 10.708 6.345 -9.720 384 1HE LYS 54 1HE LYS 54 11.282 5.414 -11.923 385 2HE LYS 54 2HE LYS 54 9.926 4.533 -11.218 386 1HZ LYS 54 1HZ LYS 54 9.603 5.052 -13.532 387 2HZ LYS 54 2HZ LYS 54 8.457 5.794 -12.615 388 3HZ LYS 54 3HZ LYS 54 9.713 6.667 -13.232 389 H ILE 55 H ILE 55 6.705 5.316 -6.423 390 HA ILE 55 HA ILE 55 5.619 2.582 -6.717 391 HB ILE 55 HB ILE 55 6.038 2.369 -4.368 392 1HG1 ILE 55 1HG1 ILE 55 7.533 5.024 -4.667 393 2HG1 ILE 55 2HG1 ILE 55 6.018 4.793 -3.757 394 1HG2 ILE 55 1HG2 ILE 55 8.447 3.143 -6.047 395 2HG2 ILE 55 2HG2 ILE 55 8.405 2.007 -4.678 396 3HG2 ILE 55 3HG2 ILE 55 7.569 1.600 -6.172 397 1HD1 ILE 55 1HD1 ILE 55 8.741 3.603 -3.240 398 2HD1 ILE 55 2HD1 ILE 55 7.761 4.602 -2.155 399 3HD1 ILE 55 3HD1 ILE 55 7.254 2.924 -2.539 400 H SER 56 H SER 56 4.472 5.742 -5.722 401 HA SER 56 HA SER 56 2.157 4.696 -4.257 402 1HB SER 56 1HB SER 56 3.024 7.501 -5.001 403 2HB SER 56 2HB SER 56 1.720 7.105 -3.898 404 HG SER 56 HG SER 56 4.502 6.606 -3.664 405 H MET 57 H MET 57 0.011 4.984 -4.778 406 HA MET 57 HA MET 57 -0.734 5.343 -7.589 407 1HB MET 57 1HB MET 57 -2.177 4.780 -4.988 408 2HB MET 57 2HB MET 57 -3.087 5.263 -6.416 409 1HG MET 57 1HG MET 57 -1.141 2.939 -6.370 410 2HG MET 57 2HG MET 57 -2.877 2.760 -6.105 411 1HE MET 57 1HE MET 57 -4.725 3.032 -7.923 412 2HE MET 57 2HE MET 57 -4.219 4.709 -8.256 413 3HE MET 57 3HE MET 57 -4.407 3.560 -9.593 414 HA PRO 58 HA PRO 58 -0.646 9.835 -6.981 415 1HB PRO 58 1HB PRO 58 -2.708 9.647 -9.200 416 2HB PRO 58 2HB PRO 58 -1.386 10.836 -9.017 417 1HG PRO 58 1HG PRO 58 -1.064 8.724 -10.682 418 2HG PRO 58 2HG PRO 58 0.259 9.165 -9.561 419 1HD PRO 58 1HD PRO 58 -1.772 6.945 -9.256 420 2HD PRO 58 2HD PRO 58 -0.012 6.947 -8.932 421 H GLU 59 H GLU 59 -1.809 11.089 -5.566 422 HA GLU 59 HA GLU 59 -4.228 10.158 -4.344 423 1HB GLU 59 1HB GLU 59 -2.718 12.795 -4.099 424 2HB GLU 59 2HB GLU 59 -4.043 12.265 -3.054 425 1HG GLU 59 1HG GLU 59 -2.746 10.222 -2.467 426 2HG GLU 59 2HG GLU 59 -1.357 10.831 -3.378 427 H GLU 60 H GLU 60 -5.275 9.997 -6.406 428 HA GLU 60 HA GLU 60 -7.382 11.898 -6.842 429 1HB GLU 60 1HB GLU 60 -4.951 11.973 -8.585 430 2HB GLU 60 2HB GLU 60 -6.428 11.611 -9.486 431 1HG GLU 60 1HG GLU 60 -7.550 13.589 -8.571 432 2HG GLU 60 2HG GLU 60 -6.103 13.973 -7.621 433 H GLU 61 H GLU 61 -5.388 9.258 -8.137 434 HA GLU 61 HA GLU 61 -7.623 7.746 -9.221 435 1HB GLU 61 1HB GLU 61 -4.681 7.100 -8.719 436 2HB GLU 61 2HB GLU 61 -5.820 6.063 -9.596 437 1HG GLU 61 1HG GLU 61 -6.146 7.778 -11.317 438 2HG GLU 61 2HG GLU 61 -5.115 8.909 -10.431 439 H LEU 62 H LEU 62 -8.410 5.752 -8.335 440 HA LEU 62 HA LEU 62 -7.451 4.799 -5.782 441 1HB LEU 62 1HB LEU 62 -9.639 5.167 -4.597 442 2HB LEU 62 2HB LEU 62 -8.518 6.503 -4.779 443 HG LEU 62 HG LEU 62 -9.973 7.302 -6.762 444 1HD1 LEU 62 1HD1 LEU 62 -12.362 6.574 -6.603 445 2HD1 LEU 62 2HD1 LEU 62 -11.314 5.280 -7.188 446 3HD1 LEU 62 3HD1 LEU 62 -11.880 5.266 -5.505 447 1HD2 LEU 62 1HD2 LEU 62 -11.520 8.354 -5.148 448 2HD2 LEU 62 2HD2 LEU 62 -11.003 7.170 -3.916 449 3HD2 LEU 62 3HD2 LEU 62 -9.833 8.325 -4.584 450 H LEU 63 H LEU 63 -8.669 3.009 -5.013 451 HA LEU 63 HA LEU 63 -9.829 1.251 -7.099 452 1HB LEU 63 1HB LEU 63 -8.851 0.575 -4.305 453 2HB LEU 63 2HB LEU 63 -9.202 -0.539 -5.629 454 HG LEU 63 HG LEU 63 -6.887 1.457 -5.481 455 1HD1 LEU 63 1HD1 LEU 63 -6.762 -0.502 -3.974 456 2HD1 LEU 63 2HD1 LEU 63 -6.958 -1.580 -5.372 457 3HD1 LEU 63 3HD1 LEU 63 -5.518 -0.549 -5.230 458 1HD2 LEU 63 1HD2 LEU 63 -7.586 1.147 -7.847 459 2HD2 LEU 63 2HD2 LEU 63 -6.040 0.351 -7.524 460 3HD2 LEU 63 3HD2 LEU 63 -7.520 -0.617 -7.632 461 H ASN 64 H ASN 64 -11.999 0.695 -6.803 462 HA ASN 64 HA ASN 64 -13.343 1.379 -4.223 463 1HB ASN 64 1HB ASN 64 -13.620 3.331 -5.679 464 2HB ASN 64 2HB ASN 64 -14.280 2.308 -6.963 465 1HD2 ASN 64 1HD2 ASN 64 -17.531 2.295 -5.548 466 2HD2 ASN 64 2HD2 ASN 64 -16.515 1.888 -6.917 467 H ALA 65 H ALA 65 -13.699 -0.226 -7.459 468 HA ALA 65 HA ALA 65 -16.011 -1.665 -6.588 469 1HB ALA 65 1HB ALA 65 -15.686 -3.014 -8.610 470 2HB ALA 65 2HB ALA 65 -15.585 -1.272 -8.936 471 3HB ALA 65 3HB ALA 65 -14.109 -2.253 -8.875 472 HA PRO 66 HA PRO 66 -13.957 -4.520 -3.816 473 1HB PRO 66 1HB PRO 66 -15.991 -6.470 -4.922 474 2HB PRO 66 2HB PRO 66 -15.495 -6.223 -3.221 475 1HG PRO 66 1HG PRO 66 -17.801 -5.126 -4.155 476 2HG PRO 66 2HG PRO 66 -16.713 -4.174 -3.110 477 1HD PRO 66 1HD PRO 66 -17.023 -4.011 -6.103 478 2HD PRO 66 2HD PRO 66 -16.799 -2.714 -4.883 479 H GLY 67 H GLY 67 -12.070 -5.725 -4.173 480 1HA GLY 67 1HA GLY 67 -10.954 -7.560 -5.052 481 2HA GLY 67 2HA GLY 67 -11.984 -7.611 -6.476 482 H GLU 68 H GLU 68 -11.468 -4.464 -6.733 483 HA GLU 68 HA GLU 68 -9.491 -4.643 -8.699 484 1HB GLU 68 1HB GLU 68 -10.304 -2.296 -6.945 485 2HB GLU 68 2HB GLU 68 -9.141 -2.159 -8.278 486 1HG GLU 68 1HG GLU 68 -10.801 -3.025 -9.878 487 2HG GLU 68 2HG GLU 68 -12.003 -3.141 -8.593 488 H THR 69 H THR 69 -7.324 -4.967 -8.724 489 HA THR 69 HA THR 69 -5.810 -4.949 -6.199 490 HB THR 69 HB THR 69 -4.242 -6.259 -7.844 491 HG1 THR 69 HG1 THR 69 -5.470 -7.231 -9.529 492 1HG2 THR 69 1HG2 THR 69 -6.914 -7.469 -7.040 493 2HG2 THR 69 2HG2 THR 69 -5.428 -8.358 -7.415 494 3HG2 THR 69 3HG2 THR 69 -5.490 -7.318 -5.983 495 OH TYR 70 OH TYR 70 2.038 1.479 -7.312 496 H TYR 70 H TYR 70 -4.001 -3.710 -5.944 497 HA TYR 70 HA TYR 70 -2.951 -2.164 -8.284 498 1HB TYR 70 1HB TYR 70 -3.774 -0.550 -6.691 499 2HB TYR 70 2HB TYR 70 -3.032 -1.397 -5.342 500 HD1 TYR 70 HD2 TYR 70 -1.935 -0.145 -8.741 501 HD2 TYR 70 HD1 TYR 70 -1.079 -0.320 -4.515 502 HE1 TYR 70 HE2 TYR 70 0.284 0.862 -9.143 503 HE2 TYR 70 HE1 TYR 70 1.099 0.787 -4.920 504 HH TYR 70 HH TYR 70 2.496 1.778 -6.518 505 H VAL 71 H VAL 71 -1.120 -3.135 -8.938 506 HA VAL 71 HA VAL 71 0.401 -4.779 -7.000 507 HB VAL 71 HB VAL 71 0.540 -4.797 -10.031 508 1HG1 VAL 71 1HG1 VAL 71 2.563 -5.686 -8.971 509 2HG1 VAL 71 2HG1 VAL 71 1.589 -6.662 -7.853 510 3HG1 VAL 71 3HG1 VAL 71 1.606 -7.037 -9.591 511 1HG2 VAL 71 1HG2 VAL 71 -0.762 -6.931 -9.834 512 2HG2 VAL 71 2HG2 VAL 71 -1.041 -6.564 -8.120 513 3HG2 VAL 71 3HG2 VAL 71 -1.711 -5.513 -9.383 514 H VAL 72 H VAL 72 2.541 -4.337 -6.559 515 HA VAL 72 HA VAL 72 4.012 -2.358 -8.181 516 HB VAL 72 HB VAL 72 2.879 -1.058 -6.394 517 1HG1 VAL 72 1HG1 VAL 72 4.507 -2.737 -4.437 518 2HG1 VAL 72 2HG1 VAL 72 3.544 -1.301 -4.056 519 3HG1 VAL 72 3HG1 VAL 72 2.738 -2.772 -4.638 520 1HG2 VAL 72 1HG2 VAL 72 5.080 -0.332 -7.276 521 2HG2 VAL 72 2HG2 VAL 72 4.807 0.159 -5.597 522 3HG2 VAL 72 3HG2 VAL 72 5.886 -1.199 -5.947 523 H THR 73 H THR 73 6.372 -2.601 -7.782 524 HA THR 73 HA THR 73 7.113 -5.153 -6.427 525 HB THR 73 HB THR 73 8.149 -4.265 -9.149 526 HG1 THR 73 HG1 THR 73 5.967 -5.879 -8.400 527 1HG2 THR 73 1HG2 THR 73 9.602 -5.823 -7.811 528 2HG2 THR 73 2HG2 THR 73 8.236 -6.955 -7.705 529 3HG2 THR 73 3HG2 THR 73 8.958 -6.579 -9.279 530 H LEU 74 H LEU 74 8.678 -4.798 -4.984 531 HA LEU 74 HA LEU 74 10.269 -2.264 -5.199 532 1HB LEU 74 1HB LEU 74 9.527 -3.839 -2.726 533 2HB LEU 74 2HB LEU 74 10.415 -2.307 -2.817 534 HG LEU 74 HG LEU 74 7.493 -2.747 -3.603 535 1HD1 LEU 74 1HD1 LEU 74 8.698 -1.175 -1.293 536 2HD1 LEU 74 2HD1 LEU 74 6.974 -1.374 -1.658 537 3HD1 LEU 74 3HD1 LEU 74 7.939 -2.773 -1.156 538 1HD2 LEU 74 1HD2 LEU 74 9.199 -0.218 -3.628 539 2HD2 LEU 74 2HD2 LEU 74 8.397 -0.969 -5.022 540 3HD2 LEU 74 3HD2 LEU 74 7.427 -0.236 -3.745 541 H ASP 75 H ASP 75 12.064 -2.838 -6.247 542 HA ASP 75 HA ASP 75 13.490 -5.336 -5.685 543 1HB ASP 75 1HB ASP 75 14.984 -4.645 -7.413 544 2HB ASP 75 2HB ASP 75 13.334 -4.359 -7.978 545 H THR 76 H THR 76 13.918 -1.829 -5.043 546 HA THR 76 HA THR 76 16.500 -2.144 -3.851 547 HB THR 76 HB THR 76 14.538 0.148 -3.492 548 HG1 THR 76 HG1 THR 76 16.177 -0.508 -5.708 549 1HG2 THR 76 1HG2 THR 76 17.584 0.056 -3.672 550 2HG2 THR 76 2HG2 THR 76 16.586 1.515 -3.500 551 3HG2 THR 76 3HG2 THR 76 16.633 0.320 -2.192 552 H LYS 77 H LYS 77 16.777 -3.215 -1.971 553 HA LYS 77 HA LYS 77 14.757 -3.750 -0.066 554 1HB LYS 77 1HB LYS 77 16.601 -4.554 1.355 555 2HB LYS 77 2HB LYS 77 16.788 -5.116 -0.311 556 1HG LYS 77 1HG LYS 77 18.481 -3.337 -0.719 557 2HG LYS 77 2HG LYS 77 18.286 -2.769 0.948 558 1HD LYS 77 1HD LYS 77 18.969 -5.020 1.780 559 2HD LYS 77 2HD LYS 77 19.223 -5.557 0.111 560 1HE LYS 77 1HE LYS 77 20.705 -3.265 1.497 561 2HE LYS 77 2HE LYS 77 21.340 -4.895 1.220 562 1HZ LYS 77 1HZ LYS 77 21.118 -4.513 -1.134 563 2HZ LYS 77 2HZ LYS 77 20.573 -2.981 -0.869 564 3HZ LYS 77 3HZ LYS 77 22.104 -3.395 -0.436 565 H GLY 78 H GLY 78 14.448 -3.030 2.084 566 1HA GLY 78 1HA GLY 78 15.534 -1.118 3.595 567 2HA GLY 78 2HA GLY 78 14.771 -0.101 2.354 568 H THR 79 H THR 79 13.562 0.655 4.312 569 HA THR 79 HA THR 79 11.217 -1.071 4.966 570 HB THR 79 HB THR 79 12.376 1.248 6.563 571 HG1 THR 79 HG1 THR 79 12.716 -1.555 6.854 572 1HG2 THR 79 1HG2 THR 79 10.990 0.277 8.376 573 2HG2 THR 79 2HG2 THR 79 9.986 0.774 7.003 574 3HG2 THR 79 3HG2 THR 79 10.358 -0.946 7.252 575 OH TYR 80 OH TYR 80 12.067 0.090 -2.396 576 H TYR 80 H TYR 80 9.363 -0.361 4.087 577 HA TYR 80 HA TYR 80 9.185 2.463 3.096 578 1HB TYR 80 1HB TYR 80 8.094 -0.133 1.987 579 2HB TYR 80 2HB TYR 80 7.605 1.456 1.441 580 HD1 TYR 80 HD1 TYR 80 10.720 -0.634 1.869 581 HD2 TYR 80 HD2 TYR 80 8.553 2.236 -0.515 582 HE1 TYR 80 HE1 TYR 80 12.317 -0.955 0.027 583 HE2 TYR 80 HE2 TYR 80 10.111 1.841 -2.385 584 HH TYR 80 HH TYR 80 12.725 -0.580 -2.181 585 H SER 81 H SER 81 7.798 3.563 4.416 586 HA SER 81 HA SER 81 5.531 2.121 5.684 587 1HB SER 81 1HB SER 81 6.362 5.022 5.870 588 2HB SER 81 2HB SER 81 5.116 4.223 6.842 589 HG SER 81 HG SER 81 7.237 4.370 7.852 590 H PHE 82 H PHE 82 3.355 2.413 5.026 591 HA PHE 82 HA PHE 82 2.861 4.335 2.845 592 1HB PHE 82 1HB PHE 82 1.615 2.607 1.573 593 2HB PHE 82 2HB PHE 82 3.315 2.315 1.673 594 HD1 PHE 82 HD2 PHE 82 0.037 1.366 3.213 595 HD2 PHE 82 HD1 PHE 82 4.134 0.134 2.534 596 HE1 PHE 82 HE2 PHE 82 -0.414 -0.803 4.284 597 HE2 PHE 82 HE1 PHE 82 3.618 -2.046 3.536 598 HZ PHE 82 HZ PHE 82 1.375 -2.501 4.495 599 OH TYR 83 OH TYR 83 0.512 10.688 1.302 600 H TYR 83 H TYR 83 0.607 4.557 2.316 601 HA TYR 83 HA TYR 83 -1.313 4.049 4.466 602 1HB TYR 83 1HB TYR 83 -1.774 6.369 4.929 603 2HB TYR 83 2HB TYR 83 -0.066 6.064 5.233 604 HD1 TYR 83 HD2 TYR 83 1.682 7.015 3.718 605 HD2 TYR 83 HD1 TYR 83 -2.506 7.869 3.194 606 HE1 TYR 83 HE2 TYR 83 2.252 9.032 2.391 607 HE2 TYR 83 HE1 TYR 83 -1.930 9.872 1.857 608 HH TYR 83 HH TYR 83 -0.233 11.029 0.793 609 H CYS 84 H CYS 84 -3.453 4.766 3.995 610 HA CYS 84 HA CYS 84 -4.105 4.841 1.058 611 1HB CYS 84 1HB CYS 84 -5.194 2.982 2.225 612 2HB CYS 84 2HB CYS 84 -5.607 4.055 3.571 613 H SER 85 H SER 85 -4.075 6.983 0.466 614 HA SER 85 HA SER 85 -4.236 9.065 2.147 615 1HB SER 85 1HB SER 85 -5.238 9.555 -0.635 616 2HB SER 85 2HB SER 85 -4.098 10.449 0.358 617 HG SER 85 HG SER 85 -2.589 8.822 0.055 618 HA PRO 86 HA PRO 86 -9.031 9.707 1.379 619 1HB PRO 86 1HB PRO 86 -9.698 6.768 1.137 620 2HB PRO 86 2HB PRO 86 -10.585 8.171 0.479 621 1HG PRO 86 1HG PRO 86 -8.974 6.736 -1.156 622 2HG PRO 86 2HG PRO 86 -8.901 8.522 -1.200 623 1HD PRO 86 1HD PRO 86 -7.044 6.630 0.244 624 2HD PRO 86 2HD PRO 86 -6.657 8.009 -0.796 625 H HIS 87 H HIS 87 -7.329 7.281 3.301 626 HA HIS 87 HA HIS 87 -9.103 7.884 5.620 627 1HB HIS 87 1HB HIS 87 -8.037 5.179 4.785 628 2HB HIS 87 2HB HIS 87 -8.942 5.499 6.259 629 HD2 HIS 87 HD2 HIS 87 -11.487 6.895 5.548 630 HE1 HIS 87 HE1 HIS 87 -12.103 4.154 2.367 631 HE2 HIS 87 HE2 HIS 87 -13.209 5.859 3.872 632 H GLN 88 H GLN 88 -6.399 8.892 4.619 633 HA GLN 88 HA GLN 88 -4.374 7.742 6.258 634 1HB GLN 88 1HB GLN 88 -3.995 9.243 4.337 635 2HB GLN 88 2HB GLN 88 -4.622 10.614 5.254 636 1HG GLN 88 1HG GLN 88 -2.774 10.350 6.895 637 2HG GLN 88 2HG GLN 88 -2.211 8.907 6.028 638 1HE2 GLN 88 1HE2 GLN 88 0.049 11.336 4.630 639 2HE2 GLN 88 2HE2 GLN 88 -0.120 10.199 5.954 640 H GLY 89 H GLY 89 -6.528 10.553 6.768 641 1HA GLY 89 1HA GLY 89 -5.748 11.276 9.378 642 2HA GLY 89 2HA GLY 89 -7.356 11.533 8.673 643 H ALA 90 H ALA 90 -7.899 8.669 8.249 644 HA ALA 90 HA ALA 90 -8.873 8.012 10.921 645 1HB ALA 90 1HB ALA 90 -10.268 7.720 8.899 646 2HB ALA 90 2HB ALA 90 -9.123 6.495 8.304 647 3HB ALA 90 3HB ALA 90 -10.043 6.201 9.791 648 H GLY 91 H GLY 91 -5.833 7.615 9.601 649 1HA GLY 91 1HA GLY 91 -4.079 6.457 10.445 650 2HA GLY 91 2HA GLY 91 -5.146 5.568 11.535 651 H MET 92 H MET 92 -5.883 5.541 8.034 652 HA MET 92 HA MET 92 -5.360 2.656 8.057 653 1HB MET 92 1HB MET 92 -7.306 3.586 6.891 654 2HB MET 92 2HB MET 92 -6.225 4.393 5.737 655 1HG MET 92 1HG MET 92 -5.386 2.262 4.938 656 2HG MET 92 2HG MET 92 -6.064 1.410 6.311 657 1HE MET 92 1HE MET 92 -6.760 -0.484 4.960 658 2HE MET 92 2HE MET 92 -7.808 -0.437 3.533 659 3HE MET 92 3HE MET 92 -6.167 0.247 3.455 660 H VAL 93 H VAL 93 -3.165 2.784 8.603 661 HA VAL 93 HA VAL 93 -1.298 3.339 6.352 662 HB VAL 93 HB VAL 93 0.362 4.080 7.906 663 1HG1 VAL 93 1HG1 VAL 93 -1.373 5.750 7.124 664 2HG1 VAL 93 2HG1 VAL 93 -2.213 5.527 8.665 665 3HG1 VAL 93 3HG1 VAL 93 -0.563 6.170 8.641 666 1HG2 VAL 93 1HG2 VAL 93 -0.121 4.365 10.313 667 2HG2 VAL 93 2HG2 VAL 93 -1.691 3.566 10.096 668 3HG2 VAL 93 3HG2 VAL 93 -0.182 2.659 9.841 669 H GLY 94 H GLY 94 0.834 2.141 6.623 670 1HA GLY 94 1HA GLY 94 0.924 -0.253 8.182 671 2HA GLY 94 2HA GLY 94 0.485 -0.621 6.506 672 H LYS 95 H LYS 95 2.846 -1.683 7.083 673 HA LYS 95 HA LYS 95 4.828 0.035 5.756 674 1HB LYS 95 1HB LYS 95 5.399 -1.307 8.431 675 2HB LYS 95 2HB LYS 95 6.539 -0.366 7.454 676 1HG LYS 95 1HG LYS 95 5.018 1.650 7.805 677 2HG LYS 95 2HG LYS 95 4.111 0.688 8.971 678 1HD LYS 95 1HD LYS 95 7.066 1.450 9.086 679 2HD LYS 95 2HD LYS 95 5.769 2.119 10.079 680 1HE LYS 95 1HE LYS 95 6.830 -0.745 10.163 681 2HE LYS 95 2HE LYS 95 7.032 0.504 11.392 682 1HZ LYS 95 1HZ LYS 95 5.310 -1.030 11.944 683 2HZ LYS 95 2HZ LYS 95 4.674 0.483 11.745 684 3HZ LYS 95 3HZ LYS 95 4.465 -0.667 10.579 685 H VAL 96 H VAL 96 6.521 -1.123 4.774 686 HA VAL 96 HA VAL 96 6.381 -4.075 4.986 687 HB VAL 96 HB VAL 96 5.040 -3.637 3.114 688 1HG1 VAL 96 1HG1 VAL 96 7.314 -2.159 1.743 689 2HG1 VAL 96 2HG1 VAL 96 5.669 -2.404 1.142 690 3HG1 VAL 96 3HG1 VAL 96 5.947 -1.315 2.508 691 1HG2 VAL 96 1HG2 VAL 96 6.669 -5.507 3.006 692 2HG2 VAL 96 2HG2 VAL 96 6.161 -4.873 1.424 693 3HG2 VAL 96 3HG2 VAL 96 7.756 -4.449 2.072 694 H THR 97 H THR 97 8.244 -5.013 5.129 695 HA THR 97 HA THR 97 10.736 -3.407 4.958 696 HB THR 97 HB THR 97 10.492 -6.188 6.133 697 HG1 THR 97 HG1 THR 97 8.879 -5.028 7.126 698 1HG2 THR 97 1HG2 THR 97 12.290 -5.375 7.571 699 2HG2 THR 97 2HG2 THR 97 12.743 -5.210 5.861 700 3HG2 THR 97 3HG2 THR 97 12.229 -3.782 6.792 701 H VAL 98 H VAL 98 11.494 -3.466 2.831 702 HA VAL 98 HA VAL 98 11.112 -5.864 1.197 703 HB VAL 98 HB VAL 98 12.505 -3.220 0.654 704 1HG1 VAL 98 1HG1 VAL 98 11.484 -5.375 -1.254 705 2HG1 VAL 98 2HG1 VAL 98 12.282 -3.852 -1.703 706 3HG1 VAL 98 3HG1 VAL 98 13.194 -5.111 -0.861 707 1HG2 VAL 98 1HG2 VAL 98 10.082 -2.909 1.136 708 2HG2 VAL 98 2HG2 VAL 98 10.420 -2.700 -0.580 709 3HG2 VAL 98 3HG2 VAL 98 9.689 -4.209 -0.005 710 H ASN 99 H ASN 99 12.345 -7.504 1.955 711 HA ASN 99 HA ASN 99 15.293 -7.114 2.232 712 1HB ASN 99 1HB ASN 99 15.332 -8.459 4.219 713 2HB ASN 99 2HB ASN 99 14.243 -7.095 4.497 714 1HD2 ASN 99 1HD2 ASN 99 12.665 -10.228 5.838 715 2HD2 ASN 99 2HD2 ASN 99 14.162 -9.367 6.137 Start of MODEL 10 Raw file had 715 H/Q atoms Start of MODEL 10 1 H LEU 1 H LEU 1 3.644 -9.619 -2.628 2 HA LEU 1 HA LEU 1 2.603 -11.623 -1.314 3 1HB LEU 1 1HB LEU 1 3.206 -9.549 0.840 4 2HB LEU 1 2HB LEU 1 1.902 -10.717 1.020 5 HG LEU 1 HG LEU 1 3.513 -12.593 0.739 6 1HD1 LEU 1 1HD1 LEU 1 5.579 -10.362 0.971 7 2HD1 LEU 1 2HD1 LEU 1 5.930 -12.089 1.185 8 3HD1 LEU 1 3HD1 LEU 1 5.395 -11.496 -0.389 9 1HD2 LEU 1 1HD2 LEU 1 4.034 -10.644 3.024 10 2HD2 LEU 1 2HD2 LEU 1 2.713 -11.828 2.945 11 3HD2 LEU 1 3HD2 LEU 1 4.393 -12.384 3.038 12 H GLU 2 H GLU 2 0.284 -11.597 -0.870 13 HA GLU 2 HA GLU 2 -1.037 -9.308 -2.127 14 1HB GLU 2 1HB GLU 2 -3.066 -10.560 -1.952 15 2HB GLU 2 2HB GLU 2 -1.798 -11.572 -2.656 16 1HG GLU 2 1HG GLU 2 -1.483 -12.679 -0.420 17 2HG GLU 2 2HG GLU 2 -2.778 -11.658 0.231 18 H VAL 3 H VAL 3 -2.206 -7.758 -1.069 19 HA VAL 3 HA VAL 3 -2.306 -7.862 1.908 20 HB VAL 3 HB VAL 3 -1.590 -5.468 0.167 21 1HG1 VAL 3 1HG1 VAL 3 -2.872 -4.807 2.155 22 2HG1 VAL 3 2HG1 VAL 3 -1.818 -5.796 3.191 23 3HG1 VAL 3 3HG1 VAL 3 -1.170 -4.364 2.373 24 1HG2 VAL 3 1HG2 VAL 3 0.319 -7.009 0.315 25 2HG2 VAL 3 2HG2 VAL 3 0.606 -5.548 1.263 26 3HG2 VAL 3 3HG2 VAL 3 0.167 -7.059 2.082 27 H LEU 4 H LEU 4 -4.377 -7.585 2.609 28 HA LEU 4 HA LEU 4 -6.453 -6.816 0.640 29 1HB LEU 4 1HB LEU 4 -6.699 -7.685 3.535 30 2HB LEU 4 2HB LEU 4 -8.017 -7.427 2.406 31 HG LEU 4 HG LEU 4 -5.893 -9.606 2.320 32 1HD1 LEU 4 1HD1 LEU 4 -7.829 -9.902 3.860 33 2HD1 LEU 4 2HD1 LEU 4 -8.941 -9.686 2.488 34 3HD1 LEU 4 3HD1 LEU 4 -7.847 -11.085 2.538 35 1HD2 LEU 4 1HD2 LEU 4 -6.222 -8.981 -0.008 36 2HD2 LEU 4 2HD2 LEU 4 -7.115 -10.471 0.300 37 3HD2 LEU 4 3HD2 LEU 4 -7.990 -8.929 0.208 38 H LEU 5 H LEU 5 -7.065 -4.791 0.410 39 HA LEU 5 HA LEU 5 -6.302 -2.685 2.298 40 1HB LEU 5 1HB LEU 5 -7.967 -2.627 -0.212 41 2HB LEU 5 2HB LEU 5 -7.430 -1.218 0.702 42 HG LEU 5 HG LEU 5 -5.508 -3.182 -0.617 43 1HD1 LEU 5 1HD1 LEU 5 -5.215 -1.391 -2.316 44 2HD1 LEU 5 2HD1 LEU 5 -6.864 -2.031 -2.322 45 3HD1 LEU 5 3HD1 LEU 5 -6.517 -0.466 -1.551 46 1HD2 LEU 5 1HD2 LEU 5 -3.931 -1.228 -0.256 47 2HD2 LEU 5 2HD2 LEU 5 -5.197 -0.430 0.686 48 3HD2 LEU 5 3HD2 LEU 5 -4.509 -1.977 1.235 49 H GLY 6 H GLY 6 -7.402 -2.956 4.222 50 1HA GLY 6 1HA GLY 6 -9.269 -2.376 5.505 51 2HA GLY 6 2HA GLY 6 -10.361 -2.717 4.168 52 H SER 7 H SER 7 -10.031 -3.877 7.036 53 HA SER 7 HA SER 7 -9.319 -6.638 6.609 54 1HB SER 7 1HB SER 7 -10.007 -6.837 8.984 55 2HB SER 7 2HB SER 7 -8.890 -5.486 8.748 56 HG SER 7 HG SER 7 -10.735 -4.092 8.684 57 H GLY 8 H GLY 8 -10.742 -8.291 6.982 58 1HA GLY 8 1HA GLY 8 -13.117 -8.414 5.441 59 2HA GLY 8 2HA GLY 8 -12.668 -9.589 6.693 60 H ASP 9 H ASP 9 -12.631 -7.691 8.879 61 HA ASP 9 HA ASP 9 -15.453 -7.698 9.566 62 1HB ASP 9 1HB ASP 9 -14.707 -6.884 11.725 63 2HB ASP 9 2HB ASP 9 -13.699 -8.239 11.210 64 H GLY 10 H GLY 10 -13.670 -5.509 7.694 65 1HA GLY 10 1HA GLY 10 -14.690 -3.637 6.746 66 2HA GLY 10 2HA GLY 10 -15.686 -3.375 8.176 67 H SER 11 H SER 11 -12.985 -3.826 9.839 68 HA SER 11 HA SER 11 -12.516 -1.084 10.213 69 1HB SER 11 1HB SER 11 -11.967 -2.692 11.910 70 2HB SER 11 2HB SER 11 -10.644 -3.373 10.933 71 HG SER 11 HG SER 11 -9.951 -1.773 12.460 72 H LEU 12 H LEU 12 -11.260 0.361 9.359 73 HA LEU 12 HA LEU 12 -10.158 0.012 6.717 74 1HB LEU 12 1HB LEU 12 -10.155 2.354 8.671 75 2HB LEU 12 2HB LEU 12 -9.744 2.470 6.962 76 HG LEU 12 HG LEU 12 -12.495 1.580 7.956 77 1HD1 LEU 12 1HD1 LEU 12 -12.063 3.855 8.719 78 2HD1 LEU 12 2HD1 LEU 12 -11.518 4.329 7.101 79 3HD1 LEU 12 3HD1 LEU 12 -13.215 3.878 7.375 80 1HD2 LEU 12 1HD2 LEU 12 -11.965 0.863 5.651 81 2HD2 LEU 12 2HD2 LEU 12 -13.180 2.145 5.647 82 3HD2 LEU 12 3HD2 LEU 12 -11.498 2.528 5.232 83 H VAL 13 H VAL 13 -8.630 -1.681 7.572 84 HA VAL 13 HA VAL 13 -5.991 -0.365 8.037 85 HB VAL 13 HB VAL 13 -5.325 -2.206 9.515 86 1HG1 VAL 13 1HG1 VAL 13 -6.152 -0.054 10.451 87 2HG1 VAL 13 2HG1 VAL 13 -7.783 -0.748 10.574 88 3HG1 VAL 13 3HG1 VAL 13 -6.455 -1.436 11.522 89 1HG2 VAL 13 1HG2 VAL 13 -6.978 -3.680 10.562 90 2HG2 VAL 13 2HG2 VAL 13 -8.265 -3.022 9.540 91 3HG2 VAL 13 3HG2 VAL 13 -6.934 -3.951 8.815 92 H PHE 14 H PHE 14 -4.202 -1.488 7.153 93 HA PHE 14 HA PHE 14 -4.842 -3.073 4.748 94 1HB PHE 14 1HB PHE 14 -2.251 -2.084 6.017 95 2HB PHE 14 2HB PHE 14 -2.308 -3.111 4.602 96 HD1 PHE 14 HD1 PHE 14 -3.307 0.266 5.896 97 HD2 PHE 14 HD2 PHE 14 -2.391 -2.156 2.446 98 HE1 PHE 14 HE1 PHE 14 -3.108 2.292 4.492 99 HE2 PHE 14 HE2 PHE 14 -2.071 -0.136 1.117 100 HZ PHE 14 HZ PHE 14 -2.581 2.103 2.072 101 H VAL 15 H VAL 15 -4.626 -5.363 4.707 102 HA VAL 15 HA VAL 15 -3.497 -6.643 7.186 103 HB VAL 15 HB VAL 15 -5.843 -7.606 5.551 104 1HG1 VAL 15 1HG1 VAL 15 -4.518 -9.458 6.513 105 2HG1 VAL 15 2HG1 VAL 15 -4.553 -8.665 8.103 106 3HG1 VAL 15 3HG1 VAL 15 -6.051 -9.272 7.371 107 1HG2 VAL 15 1HG2 VAL 15 -7.114 -7.144 7.654 108 2HG2 VAL 15 2HG2 VAL 15 -5.687 -6.312 8.304 109 3HG2 VAL 15 3HG2 VAL 15 -6.525 -5.674 6.870 110 HA PRO 16 HA PRO 16 -1.683 -7.747 7.706 111 1HB PRO 16 1HB PRO 16 1.006 -7.754 7.322 112 2HB PRO 16 2HB PRO 16 0.013 -9.238 7.260 113 1HG PRO 16 1HG PRO 16 0.907 -7.535 4.909 114 2HG PRO 16 2HG PRO 16 1.105 -9.302 5.108 115 1HD PRO 16 1HD PRO 16 -0.968 -8.273 3.709 116 2HD PRO 16 2HD PRO 16 -1.239 -9.661 4.788 117 H SER 17 H SER 17 -0.866 -5.962 8.894 118 HA SER 17 HA SER 17 -0.943 -3.392 7.528 119 1HB SER 17 1HB SER 17 -0.309 -3.832 10.459 120 2HB SER 17 2HB SER 17 -1.154 -2.486 9.672 121 HG SER 17 HG SER 17 -2.752 -4.210 9.082 122 H GLU 18 H GLU 18 1.445 -5.360 9.313 123 HA GLU 18 HA GLU 18 3.673 -3.754 8.188 124 1HB GLU 18 1HB GLU 18 3.302 -3.143 10.545 125 2HB GLU 18 2HB GLU 18 3.437 -4.849 11.019 126 1HG GLU 18 1HG GLU 18 5.766 -4.923 10.291 127 2HG GLU 18 2HG GLU 18 5.642 -3.315 9.563 128 H PHE 19 H PHE 19 5.216 -5.100 7.212 129 HA PHE 19 HA PHE 19 5.524 -7.865 7.975 130 1HB PHE 19 1HB PHE 19 4.746 -8.893 5.922 131 2HB PHE 19 2HB PHE 19 3.424 -8.038 6.668 132 HD1 PHE 19 HD1 PHE 19 2.811 -5.664 5.753 133 HD2 PHE 19 HD2 PHE 19 5.272 -8.515 3.629 134 HE1 PHE 19 HE1 PHE 19 2.191 -4.615 3.611 135 HE2 PHE 19 HE2 PHE 19 4.640 -7.449 1.490 136 HZ PHE 19 HZ PHE 19 3.111 -5.492 1.475 137 H SER 20 H SER 20 6.897 -8.959 6.041 138 HA SER 20 HA SER 20 8.872 -7.011 5.028 139 1HB SER 20 1HB SER 20 9.531 -9.742 6.223 140 2HB SER 20 2HB SER 20 10.678 -8.535 5.612 141 HG SER 20 HG SER 20 8.887 -8.127 7.792 142 H VAL 21 H VAL 21 9.793 -7.671 2.954 143 HA VAL 21 HA VAL 21 8.492 -10.003 1.697 144 HB VAL 21 HB VAL 21 7.016 -8.195 1.323 145 1HG1 VAL 21 1HG1 VAL 21 9.227 -6.661 -0.099 146 2HG1 VAL 21 2HG1 VAL 21 7.549 -6.169 0.152 147 3HG1 VAL 21 3HG1 VAL 21 8.649 -6.280 1.536 148 1HG2 VAL 21 1HG2 VAL 21 8.586 -8.693 -1.220 149 2HG2 VAL 21 2HG2 VAL 21 7.458 -9.860 -0.495 150 3HG2 VAL 21 3HG2 VAL 21 6.862 -8.288 -1.065 151 HA PRO 22 HA PRO 22 12.729 -10.458 0.271 152 1HB PRO 22 1HB PRO 22 11.386 -12.149 -1.819 153 2HB PRO 22 2HB PRO 22 12.853 -12.507 -0.870 154 1HG PRO 22 1HG PRO 22 10.502 -13.657 -0.158 155 2HG PRO 22 2HG PRO 22 11.546 -12.940 1.099 156 1HD PRO 22 1HD PRO 22 9.122 -11.668 -0.222 157 2HD PRO 22 2HD PRO 22 9.553 -11.822 1.510 158 H SER 23 H SER 23 13.825 -9.101 -1.173 159 HA SER 23 HA SER 23 12.646 -7.161 -2.764 160 1HB SER 23 1HB SER 23 15.308 -8.597 -3.071 161 2HB SER 23 2HB SER 23 14.867 -7.191 -4.036 162 HG SER 23 HG SER 23 15.197 -5.931 -2.418 163 H GLY 24 H GLY 24 11.559 -7.157 -4.672 164 1HA GLY 24 1HA GLY 24 11.264 -7.768 -6.936 165 2HA GLY 24 2HA GLY 24 12.023 -9.335 -6.668 166 H GLU 25 H GLU 25 10.211 -9.713 -4.078 167 HA GLU 25 HA GLU 25 8.049 -10.961 -5.562 168 1HB GLU 25 1HB GLU 25 8.666 -10.706 -2.604 169 2HB GLU 25 2HB GLU 25 7.238 -11.497 -3.270 170 1HG GLU 25 1HG GLU 25 8.721 -12.987 -4.657 171 2HG GLU 25 2HG GLU 25 10.134 -12.247 -3.891 172 H LYS 26 H LYS 26 6.756 -9.570 -6.553 173 HA LYS 26 HA LYS 26 6.063 -7.012 -5.866 174 1HB LYS 26 1HB LYS 26 4.303 -7.222 -7.505 175 2HB LYS 26 2HB LYS 26 5.749 -8.082 -8.043 176 1HG LYS 26 1HG LYS 26 4.673 -10.238 -7.191 177 2HG LYS 26 2HG LYS 26 3.195 -9.299 -6.925 178 1HD LYS 26 1HD LYS 26 3.202 -8.646 -9.344 179 2HD LYS 26 2HD LYS 26 4.675 -9.595 -9.584 180 1HE LYS 26 1HE LYS 26 2.754 -10.878 -10.341 181 2HE LYS 26 2HE LYS 26 3.456 -11.665 -8.918 182 1HZ LYS 26 1HZ LYS 26 1.731 -10.677 -7.598 183 2HZ LYS 26 2HZ LYS 26 1.107 -9.892 -8.905 184 3HZ LYS 26 3HZ LYS 26 1.065 -11.536 -8.833 185 H ILE 27 H ILE 27 4.509 -5.942 -4.770 186 HA ILE 27 HA ILE 27 2.959 -7.460 -2.780 187 HB ILE 27 HB ILE 27 3.216 -4.458 -3.068 188 1HG1 ILE 27 1HG1 ILE 27 4.848 -6.333 -1.284 189 2HG1 ILE 27 2HG1 ILE 27 5.470 -5.473 -2.699 190 1HG2 ILE 27 1HG2 ILE 27 2.357 -6.263 -0.764 191 2HG2 ILE 27 2HG2 ILE 27 2.405 -4.492 -0.715 192 3HG2 ILE 27 3HG2 ILE 27 1.260 -5.298 -1.773 193 1HD1 ILE 27 1HD1 ILE 27 4.882 -3.293 -1.615 194 2HD1 ILE 27 2HD1 ILE 27 4.490 -4.186 -0.129 195 3HD1 ILE 27 3HD1 ILE 27 6.131 -4.233 -0.775 196 H VAL 28 H VAL 28 0.728 -7.625 -3.025 197 HA VAL 28 HA VAL 28 -0.567 -6.280 -5.386 198 HB VAL 28 HB VAL 28 -1.083 -9.069 -4.280 199 1HG1 VAL 28 1HG1 VAL 28 -2.532 -9.338 -6.234 200 2HG1 VAL 28 2HG1 VAL 28 -3.121 -8.007 -5.229 201 3HG1 VAL 28 3HG1 VAL 28 -2.216 -7.664 -6.719 202 1HG2 VAL 28 1HG2 VAL 28 1.055 -9.022 -5.476 203 2HG2 VAL 28 2HG2 VAL 28 -0.178 -9.843 -6.441 204 3HG2 VAL 28 3HG2 VAL 28 0.291 -8.178 -6.842 205 H PHE 29 H PHE 29 -1.415 -4.535 -4.261 206 HA PHE 29 HA PHE 29 -2.851 -4.939 -1.731 207 1HB PHE 29 1HB PHE 29 -2.443 -2.525 -3.482 208 2HB PHE 29 2HB PHE 29 -3.303 -2.529 -1.959 209 HD1 PHE 29 HD2 PHE 29 -2.124 -2.964 0.178 210 HD2 PHE 29 HD1 PHE 29 -0.045 -2.443 -3.550 211 HE1 PHE 29 HE2 PHE 29 -0.047 -2.326 1.425 212 HE2 PHE 29 HE1 PHE 29 2.038 -1.877 -2.294 213 HZ PHE 29 HZ PHE 29 2.022 -1.784 0.175 214 H LYS 30 H LYS 30 -4.690 -6.134 -2.055 215 HA LYS 30 HA LYS 30 -6.489 -5.664 -4.342 216 1HB LYS 30 1HB LYS 30 -5.898 -7.901 -3.688 217 2HB LYS 30 2HB LYS 30 -6.458 -7.625 -2.039 218 1HG LYS 30 1HG LYS 30 -8.776 -7.386 -2.793 219 2HG LYS 30 2HG LYS 30 -8.278 -7.516 -4.480 220 1HD LYS 30 1HD LYS 30 -7.888 -9.691 -2.367 221 2HD LYS 30 2HD LYS 30 -9.275 -9.607 -3.456 222 1HE LYS 30 1HE LYS 30 -6.371 -9.974 -4.337 223 2HE LYS 30 2HE LYS 30 -7.613 -11.222 -4.258 224 1HZ LYS 30 1HZ LYS 30 -7.362 -10.362 -6.458 225 2HZ LYS 30 2HZ LYS 30 -8.872 -10.037 -5.886 226 3HZ LYS 30 3HZ LYS 30 -7.749 -8.838 -5.970 227 H ASN 31 H ASN 31 -8.268 -4.411 -4.291 228 HA ASN 31 HA ASN 31 -9.074 -2.945 -1.959 229 1HB ASN 31 1HB ASN 31 -9.476 -2.697 -4.678 230 2HB ASN 31 2HB ASN 31 -11.041 -3.303 -4.233 231 1HD2 ASN 31 1HD2 ASN 31 -11.685 0.204 -4.077 232 2HD2 ASN 31 2HD2 ASN 31 -11.855 -1.269 -5.017 233 H ASN 32 H ASN 32 -9.609 -4.336 -0.238 234 HA ASN 32 HA ASN 32 -11.345 -6.652 -0.721 235 1HB ASN 32 1HB ASN 32 -9.433 -6.878 0.690 236 2HB ASN 32 2HB ASN 32 -9.998 -5.628 1.786 237 1HD2 ASN 32 1HD2 ASN 32 -11.561 -8.129 3.728 238 2HD2 ASN 32 2HD2 ASN 32 -10.458 -6.753 3.666 239 H ALA 33 H ALA 33 -11.512 -4.253 1.881 240 HA ALA 33 HA ALA 33 -14.432 -3.850 1.414 241 1HB ALA 33 1HB ALA 33 -13.221 -4.890 4.014 242 2HB ALA 33 2HB ALA 33 -14.919 -4.428 3.777 243 3HB ALA 33 3HB ALA 33 -14.250 -5.825 2.910 244 H GLY 34 H GLY 34 -15.282 -2.066 2.840 245 1HA GLY 34 1HA GLY 34 -15.132 0.069 3.665 246 2HA GLY 34 2HA GLY 34 -13.552 -0.369 4.330 247 H PHE 35 H PHE 35 -13.988 -0.711 0.889 248 HA PHE 35 HA PHE 35 -12.008 1.309 0.220 249 1HB PHE 35 1HB PHE 35 -12.304 0.416 -2.033 250 2HB PHE 35 2HB PHE 35 -12.034 -0.784 -0.827 251 HD1 PHE 35 HD2 PHE 35 -14.794 0.863 -2.744 252 HD2 PHE 35 HD1 PHE 35 -13.226 -2.740 -1.014 253 HE1 PHE 35 HE2 PHE 35 -16.893 -0.345 -3.335 254 HE2 PHE 35 HE1 PHE 35 -15.404 -3.884 -1.361 255 HZ PHE 35 HZ PHE 35 -17.242 -2.687 -2.555 256 HA PRO 36 HA PRO 36 -12.283 2.378 -2.368 257 1HB PRO 36 1HB PRO 36 -11.714 4.928 -3.035 258 2HB PRO 36 2HB PRO 36 -13.162 4.075 -3.609 259 1HG PRO 36 1HG PRO 36 -12.989 5.916 -1.202 260 2HG PRO 36 2HG PRO 36 -14.152 6.003 -2.562 261 1HD PRO 36 1HD PRO 36 -14.798 4.722 -0.252 262 2HD PRO 36 2HD PRO 36 -15.284 4.030 -1.822 263 H HIS 37 H HIS 37 -10.055 2.753 -2.612 264 HA HIS 37 HA HIS 37 -8.593 3.932 -0.387 265 1HB HIS 37 1HB HIS 37 -8.271 1.016 -1.230 266 2HB HIS 37 2HB HIS 37 -7.311 1.810 0.010 267 HD2 HIS 37 HD2 HIS 37 -9.750 -0.757 -0.193 268 HE1 HIS 37 HE1 HIS 37 -10.515 0.946 3.591 269 HE2 HIS 37 HE2 HIS 37 -10.792 -1.119 2.125 270 H ASN 38 H ASN 38 -6.170 3.649 -0.795 271 HA ASN 38 HA ASN 38 -5.267 3.014 -3.409 272 1HB ASN 38 1HB ASN 38 -4.543 5.121 -4.165 273 2HB ASN 38 2HB ASN 38 -6.226 5.326 -3.755 274 1HD2 ASN 38 1HD2 ASN 38 -4.387 8.344 -2.586 275 2HD2 ASN 38 2HD2 ASN 38 -4.697 7.531 -4.103 276 H VAL 39 H VAL 39 -2.717 3.632 -3.269 277 HA VAL 39 HA VAL 39 -1.844 3.224 -0.438 278 HB VAL 39 HB VAL 39 -0.753 1.757 -2.868 279 1HG1 VAL 39 1HG1 VAL 39 0.484 0.482 -1.180 280 2HG1 VAL 39 2HG1 VAL 39 0.885 2.191 -1.029 281 3HG1 VAL 39 3HG1 VAL 39 -0.237 1.440 0.128 282 1HG2 VAL 39 1HG2 VAL 39 -2.730 0.919 -0.708 283 2HG2 VAL 39 2HG2 VAL 39 -2.922 0.808 -2.470 284 3HG2 VAL 39 3HG2 VAL 39 -1.774 -0.244 -1.636 285 H VAL 40 H VAL 40 -0.786 5.015 0.060 286 HA VAL 40 HA VAL 40 0.950 6.327 -1.976 287 HB VAL 40 HB VAL 40 -0.265 7.510 0.543 288 1HG1 VAL 40 1HG1 VAL 40 1.010 8.768 -1.937 289 2HG1 VAL 40 2HG1 VAL 40 0.305 9.662 -0.578 290 3HG1 VAL 40 3HG1 VAL 40 1.750 8.671 -0.325 291 1HG2 VAL 40 1HG2 VAL 40 -1.879 8.653 -0.889 292 2HG2 VAL 40 2HG2 VAL 40 -1.326 7.722 -2.303 293 3HG2 VAL 40 3HG2 VAL 40 -2.134 6.916 -0.938 294 H PHE 41 H PHE 41 3.109 6.333 -1.492 295 HA PHE 41 HA PHE 41 3.976 5.108 1.082 296 1HB PHE 41 1HB PHE 41 5.325 5.603 -1.574 297 2HB PHE 41 2HB PHE 41 6.196 5.092 -0.143 298 HD1 PHE 41 HD2 PHE 41 5.730 2.927 0.972 299 HD2 PHE 41 HD1 PHE 41 3.902 3.981 -2.760 300 HE1 PHE 41 HE2 PHE 41 5.382 0.508 0.465 301 HE2 PHE 41 HE1 PHE 41 3.308 1.590 -3.147 302 HZ PHE 41 HZ PHE 41 4.102 -0.152 -1.557 303 H ASP 42 H ASP 42 4.940 6.323 2.649 304 HA ASP 42 HA ASP 42 4.907 9.209 2.367 305 1HB ASP 42 1HB ASP 42 4.430 8.071 4.497 306 2HB ASP 42 2HB ASP 42 6.085 7.461 4.547 307 H GLU 43 H GLU 43 6.344 10.172 1.072 308 HA GLU 43 HA GLU 43 8.668 9.238 0.004 309 1HB GLU 43 1HB GLU 43 9.206 11.594 -0.496 310 2HB GLU 43 2HB GLU 43 7.533 11.152 -0.861 311 1HG GLU 43 1HG GLU 43 6.784 12.245 1.274 312 2HG GLU 43 2HG GLU 43 8.464 12.693 1.604 313 H ASP 44 H ASP 44 8.438 10.640 3.257 314 HA ASP 44 HA ASP 44 11.364 10.908 3.470 315 1HB ASP 44 1HB ASP 44 9.165 11.251 5.547 316 2HB ASP 44 2HB ASP 44 10.877 11.622 5.765 317 H GLU 45 H GLU 45 9.026 8.390 3.949 318 HA GLU 45 HA GLU 45 10.928 6.814 5.652 319 1HB GLU 45 1HB GLU 45 7.922 6.710 5.474 320 2HB GLU 45 2HB GLU 45 8.941 5.697 6.512 321 1HG GLU 45 1HG GLU 45 9.622 7.681 7.808 322 2HG GLU 45 2HG GLU 45 8.700 8.743 6.733 323 H ILE 46 H ILE 46 11.633 6.648 3.145 324 HA ILE 46 HA ILE 46 11.005 3.917 2.412 325 HB ILE 46 HB ILE 46 10.761 4.559 -0.021 326 1HG1 ILE 46 1HG1 ILE 46 10.101 7.324 1.046 327 2HG1 ILE 46 2HG1 ILE 46 11.567 6.896 0.150 328 1HG2 ILE 46 1HG2 ILE 46 8.838 3.833 1.418 329 2HG2 ILE 46 2HG2 ILE 46 8.412 5.543 1.625 330 3HG2 ILE 46 3HG2 ILE 46 8.418 4.797 0.018 331 1HD1 ILE 46 1HD1 ILE 46 8.714 6.882 -0.885 332 2HD1 ILE 46 2HD1 ILE 46 10.097 7.842 -1.444 333 3HD1 ILE 46 3HD1 ILE 46 10.060 6.094 -1.740 334 HA PRO 47 HA PRO 47 15.344 4.147 1.842 335 1HB PRO 47 1HB PRO 47 15.762 2.523 -0.438 336 2HB PRO 47 2HB PRO 47 15.680 2.009 1.266 337 1HG PRO 47 1HG PRO 47 13.565 1.882 -0.842 338 2HG PRO 47 2HG PRO 47 13.845 0.785 0.547 339 1HD PRO 47 1HD PRO 47 11.846 2.666 0.473 340 2HD PRO 47 2HD PRO 47 12.622 2.124 1.985 341 H ALA 48 H ALA 48 16.302 5.936 1.224 342 HA ALA 48 HA ALA 48 15.523 7.791 -0.630 343 1HB ALA 48 1HB ALA 48 18.356 7.196 0.322 344 2HB ALA 48 2HB ALA 48 17.809 8.711 -0.427 345 3HB ALA 48 3HB ALA 48 17.156 8.216 1.148 346 H GLY 49 H GLY 49 15.344 7.722 -2.770 347 1HA GLY 49 1HA GLY 49 16.740 7.599 -4.870 348 2HA GLY 49 2HA GLY 49 17.092 5.922 -4.416 349 H VAL 50 H VAL 50 14.430 5.376 -3.243 350 HA VAL 50 HA VAL 50 13.115 4.699 -5.758 351 HB VAL 50 HB VAL 50 12.157 4.276 -2.901 352 1HG1 VAL 50 1HG1 VAL 50 10.802 2.491 -3.981 353 2HG1 VAL 50 2HG1 VAL 50 10.371 4.089 -4.614 354 3HG1 VAL 50 3HG1 VAL 50 11.389 2.996 -5.574 355 1HG2 VAL 50 1HG2 VAL 50 13.023 1.967 -3.237 356 2HG2 VAL 50 2HG2 VAL 50 13.770 2.469 -4.766 357 3HG2 VAL 50 3HG2 VAL 50 14.330 3.153 -3.225 358 H ASP 51 H ASP 51 12.065 6.289 -6.839 359 HA ASP 51 HA ASP 51 11.074 8.678 -5.659 360 1HB ASP 51 1HB ASP 51 11.694 8.575 -8.000 361 2HB ASP 51 2HB ASP 51 10.450 7.353 -8.315 362 H ALA 52 H ALA 52 9.465 8.750 -4.249 363 HA ALA 52 HA ALA 52 7.539 6.924 -3.560 364 1HB ALA 52 1HB ALA 52 8.054 8.950 -2.282 365 2HB ALA 52 2HB ALA 52 7.211 9.938 -3.494 366 3HB ALA 52 3HB ALA 52 6.313 8.735 -2.538 367 H VAL 53 H VAL 53 7.343 9.399 -6.135 368 HA VAL 53 HA VAL 53 4.581 9.104 -6.721 369 HB VAL 53 HB VAL 53 6.854 9.988 -8.547 370 1HG1 VAL 53 1HG1 VAL 53 5.062 11.266 -9.722 371 2HG1 VAL 53 2HG1 VAL 53 4.856 9.522 -9.877 372 3HG1 VAL 53 3HG1 VAL 53 3.846 10.433 -8.733 373 1HG2 VAL 53 1HG2 VAL 53 6.759 11.369 -6.488 374 2HG2 VAL 53 2HG2 VAL 53 6.156 12.281 -7.872 375 3HG2 VAL 53 3HG2 VAL 53 5.010 11.585 -6.710 376 H LYS 54 H LYS 54 7.376 7.113 -7.695 377 HA LYS 54 HA LYS 54 5.862 5.808 -9.854 378 1HB LYS 54 1HB LYS 54 8.527 5.140 -8.542 379 2HB LYS 54 2HB LYS 54 7.811 4.265 -9.904 380 1HG LYS 54 1HG LYS 54 7.782 6.328 -11.259 381 2HG LYS 54 2HG LYS 54 8.519 7.228 -9.924 382 1HD LYS 54 1HD LYS 54 10.471 5.611 -9.996 383 2HD LYS 54 2HD LYS 54 9.751 4.866 -11.429 384 1HE LYS 54 1HE LYS 54 10.623 7.790 -11.176 385 2HE LYS 54 2HE LYS 54 11.513 6.509 -12.014 386 1HZ LYS 54 1HZ LYS 54 9.643 6.265 -13.493 387 2HZ LYS 54 2HZ LYS 54 8.842 7.491 -12.736 388 3HZ LYS 54 3HZ LYS 54 10.248 7.797 -13.537 389 H ILE 55 H ILE 55 6.769 5.098 -6.496 390 HA ILE 55 HA ILE 55 5.582 2.427 -6.542 391 HB ILE 55 HB ILE 55 6.031 2.350 -4.209 392 1HG1 ILE 55 1HG1 ILE 55 7.475 5.008 -4.638 393 2HG1 ILE 55 2HG1 ILE 55 5.939 4.838 -3.754 394 1HG2 ILE 55 1HG2 ILE 55 8.379 3.159 -5.969 395 2HG2 ILE 55 2HG2 ILE 55 8.426 2.123 -4.529 396 3HG2 ILE 55 3HG2 ILE 55 7.589 1.563 -5.975 397 1HD1 ILE 55 1HD1 ILE 55 7.611 4.759 -2.100 398 2HD1 ILE 55 2HD1 ILE 55 7.126 3.056 -2.382 399 3HD1 ILE 55 3HD1 ILE 55 8.643 3.686 -3.056 400 H SER 56 H SER 56 4.475 5.656 -5.543 401 HA SER 56 HA SER 56 2.167 4.639 -4.112 402 1HB SER 56 1HB SER 56 2.831 7.419 -5.105 403 2HB SER 56 2HB SER 56 1.535 7.013 -3.982 404 HG SER 56 HG SER 56 4.337 6.806 -3.654 405 H MET 57 H MET 57 0.090 4.470 -4.731 406 HA MET 57 HA MET 57 -0.617 4.258 -7.486 407 1HB MET 57 1HB MET 57 -1.607 3.042 -5.526 408 2HB MET 57 2HB MET 57 -2.400 4.541 -5.032 409 1HG MET 57 1HG MET 57 -2.820 3.240 -7.754 410 2HG MET 57 2HG MET 57 -3.768 2.829 -6.322 411 1HE MET 57 1HE MET 57 -6.406 4.670 -8.394 412 2HE MET 57 2HE MET 57 -5.960 3.196 -7.517 413 3HE MET 57 3HE MET 57 -5.108 3.629 -9.022 414 HA PRO 58 HA PRO 58 -0.761 8.714 -8.195 415 1HB PRO 58 1HB PRO 58 -2.978 7.864 -10.088 416 2HB PRO 58 2HB PRO 58 -1.719 9.107 -10.343 417 1HG PRO 58 1HG PRO 58 -1.374 6.631 -11.366 418 2HG PRO 58 2HG PRO 58 -0.014 7.409 -10.500 419 1HD PRO 58 1HD PRO 58 -1.914 5.296 -9.470 420 2HD PRO 58 2HD PRO 58 -0.141 5.454 -9.258 421 H GLU 59 H GLU 59 -1.595 9.890 -6.543 422 HA GLU 59 HA GLU 59 -3.832 9.533 -5.032 423 1HB GLU 59 1HB GLU 59 -2.421 12.105 -5.859 424 2HB GLU 59 2HB GLU 59 -3.606 12.044 -4.554 425 1HG GLU 59 1HG GLU 59 -1.176 10.202 -4.471 426 2HG GLU 59 2HG GLU 59 -1.065 11.895 -3.981 427 H GLU 60 H GLU 60 -3.766 11.143 -8.149 428 HA GLU 60 HA GLU 60 -6.254 12.461 -8.062 429 1HB GLU 60 1HB GLU 60 -4.426 12.709 -9.779 430 2HB GLU 60 2HB GLU 60 -4.896 11.137 -10.456 431 1HG GLU 60 1HG GLU 60 -7.153 12.062 -10.966 432 2HG GLU 60 2HG GLU 60 -6.673 13.613 -10.257 433 H GLU 61 H GLU 61 -5.442 9.066 -8.607 434 HA GLU 61 HA GLU 61 -8.249 8.325 -9.185 435 1HB GLU 61 1HB GLU 61 -5.590 6.859 -9.481 436 2HB GLU 61 2HB GLU 61 -7.179 6.256 -9.967 437 1HG GLU 61 1HG GLU 61 -7.401 8.111 -11.602 438 2HG GLU 61 2HG GLU 61 -5.803 8.715 -11.141 439 H LEU 62 H LEU 62 -9.039 6.385 -8.116 440 HA LEU 62 HA LEU 62 -7.762 5.513 -5.592 441 1HB LEU 62 1HB LEU 62 -10.611 6.557 -5.856 442 2HB LEU 62 2HB LEU 62 -9.959 5.702 -4.456 443 HG LEU 62 HG LEU 62 -8.999 8.435 -5.421 444 1HD1 LEU 62 1HD1 LEU 62 -11.314 8.435 -4.572 445 2HD1 LEU 62 2HD1 LEU 62 -10.776 7.602 -3.097 446 3HD1 LEU 62 3HD1 LEU 62 -10.220 9.257 -3.443 447 1HD2 LEU 62 1HD2 LEU 62 -7.936 8.518 -3.145 448 2HD2 LEU 62 2HD2 LEU 62 -8.346 6.804 -2.912 449 3HD2 LEU 62 3HD2 LEU 62 -7.214 7.300 -4.189 450 H LEU 63 H LEU 63 -8.540 3.383 -5.057 451 HA LEU 63 HA LEU 63 -9.559 1.807 -7.305 452 1HB LEU 63 1HB LEU 63 -9.011 1.041 -4.421 453 2HB LEU 63 2HB LEU 63 -9.303 -0.064 -5.774 454 HG LEU 63 HG LEU 63 -6.920 1.834 -5.568 455 1HD1 LEU 63 1HD1 LEU 63 -7.147 -1.159 -5.067 456 2HD1 LEU 63 2HD1 LEU 63 -5.654 -0.193 -5.007 457 3HD1 LEU 63 3HD1 LEU 63 -6.943 0.104 -3.831 458 1HD2 LEU 63 1HD2 LEU 63 -5.992 0.429 -7.397 459 2HD2 LEU 63 2HD2 LEU 63 -7.517 -0.473 -7.483 460 3HD2 LEU 63 3HD2 LEU 63 -7.467 1.248 -7.925 461 H ASN 64 H ASN 64 -11.678 2.292 -7.746 462 HA ASN 64 HA ASN 64 -13.601 2.867 -5.625 463 1HB ASN 64 1HB ASN 64 -15.149 3.299 -7.435 464 2HB ASN 64 2HB ASN 64 -13.637 4.195 -7.644 465 1HD2 ASN 64 1HD2 ASN 64 -14.735 2.621 -10.923 466 2HD2 ASN 64 2HD2 ASN 64 -15.582 3.619 -9.755 467 H ALA 65 H ALA 65 -13.362 0.373 -8.217 468 HA ALA 65 HA ALA 65 -15.618 -1.088 -7.136 469 1HB ALA 65 1HB ALA 65 -15.186 -1.031 -9.534 470 2HB ALA 65 2HB ALA 65 -13.584 -1.758 -9.304 471 3HB ALA 65 3HB ALA 65 -15.041 -2.707 -8.968 472 HA PRO 66 HA PRO 66 -13.361 -3.738 -4.319 473 1HB PRO 66 1HB PRO 66 -14.820 -6.068 -4.402 474 2HB PRO 66 2HB PRO 66 -15.423 -4.586 -3.627 475 1HG PRO 66 1HG PRO 66 -16.018 -5.556 -6.427 476 2HG PRO 66 2HG PRO 66 -17.184 -5.011 -5.184 477 1HD PRO 66 1HD PRO 66 -16.334 -3.341 -7.127 478 2HD PRO 66 2HD PRO 66 -16.522 -2.733 -5.456 479 H GLY 67 H GLY 67 -12.050 -5.761 -4.330 480 1HA GLY 67 1HA GLY 67 -10.900 -7.502 -5.302 481 2HA GLY 67 2HA GLY 67 -11.826 -7.315 -6.790 482 H GLU 68 H GLU 68 -11.138 -4.535 -7.290 483 HA GLU 68 HA GLU 68 -9.003 -4.664 -8.953 484 1HB GLU 68 1HB GLU 68 -9.740 -2.288 -7.190 485 2HB GLU 68 2HB GLU 68 -8.734 -2.202 -8.642 486 1HG GLU 68 1HG GLU 68 -11.664 -3.069 -8.563 487 2HG GLU 68 2HG GLU 68 -11.050 -1.505 -9.098 488 H THR 69 H THR 69 -6.865 -5.033 -8.848 489 HA THR 69 HA THR 69 -5.490 -5.002 -6.225 490 HB THR 69 HB THR 69 -3.857 -6.381 -7.588 491 HG1 THR 69 HG1 THR 69 -4.715 -5.633 -9.607 492 1HG2 THR 69 1HG2 THR 69 -5.551 -7.309 -6.021 493 2HG2 THR 69 2HG2 THR 69 -6.686 -7.473 -7.383 494 3HG2 THR 69 3HG2 THR 69 -5.178 -8.411 -7.370 495 OH TYR 70 OH TYR 70 1.601 2.235 -7.436 496 H TYR 70 H TYR 70 -4.166 -3.348 -5.844 497 HA TYR 70 HA TYR 70 -2.852 -1.902 -8.109 498 1HB TYR 70 1HB TYR 70 -3.846 -0.471 -6.406 499 2HB TYR 70 2HB TYR 70 -2.932 -1.254 -5.138 500 HD1 TYR 70 HD1 TYR 70 -2.456 0.486 -8.438 501 HD2 TYR 70 HD2 TYR 70 -0.809 -0.317 -4.533 502 HE1 TYR 70 HE1 TYR 70 -0.443 1.817 -9.005 503 HE2 TYR 70 HE2 TYR 70 1.182 1.041 -5.097 504 HH TYR 70 HH TYR 70 2.250 2.289 -6.727 505 H VAL 71 H VAL 71 -1.036 -2.909 -8.788 506 HA VAL 71 HA VAL 71 0.484 -4.581 -6.891 507 HB VAL 71 HB VAL 71 0.671 -4.454 -9.917 508 1HG1 VAL 71 1HG1 VAL 71 1.747 -6.692 -9.597 509 2HG1 VAL 71 2HG1 VAL 71 2.689 -5.390 -8.863 510 3HG1 VAL 71 3HG1 VAL 71 1.691 -6.445 -7.838 511 1HG2 VAL 71 1HG2 VAL 71 -0.617 -6.598 -9.847 512 2HG2 VAL 71 2HG2 VAL 71 -0.897 -6.345 -8.113 513 3HG2 VAL 71 3HG2 VAL 71 -1.585 -5.224 -9.306 514 H VAL 72 H VAL 72 2.634 -4.179 -6.390 515 HA VAL 72 HA VAL 72 4.154 -2.186 -7.923 516 HB VAL 72 HB VAL 72 3.009 -0.819 -6.244 517 1HG1 VAL 72 1HG1 VAL 72 4.420 -2.494 -4.124 518 2HG1 VAL 72 2HG1 VAL 72 3.453 -1.033 -3.867 519 3HG1 VAL 72 3HG1 VAL 72 2.675 -2.508 -4.472 520 1HG2 VAL 72 1HG2 VAL 72 4.961 0.292 -5.301 521 2HG2 VAL 72 2HG2 VAL 72 5.976 -1.121 -5.636 522 3HG2 VAL 72 3HG2 VAL 72 5.273 -0.189 -6.977 523 H THR 73 H THR 73 6.375 -2.705 -7.900 524 HA THR 73 HA THR 73 7.119 -5.141 -6.328 525 HB THR 73 HB THR 73 7.930 -4.577 -9.201 526 HG1 THR 73 HG1 THR 73 5.679 -4.950 -9.017 527 1HG2 THR 73 1HG2 THR 73 8.048 -7.038 -7.404 528 2HG2 THR 73 2HG2 THR 73 8.516 -7.001 -9.116 529 3HG2 THR 73 3HG2 THR 73 9.441 -6.070 -7.920 530 H LEU 74 H LEU 74 8.402 -4.173 -4.733 531 HA LEU 74 HA LEU 74 10.456 -2.279 -5.507 532 1HB LEU 74 1HB LEU 74 9.858 -3.704 -2.891 533 2HB LEU 74 2HB LEU 74 10.894 -2.302 -3.147 534 HG LEU 74 HG LEU 74 8.961 -1.506 -2.245 535 1HD1 LEU 74 1HD1 LEU 74 8.455 -1.015 -5.204 536 2HD1 LEU 74 2HD1 LEU 74 7.944 -0.003 -3.843 537 3HD1 LEU 74 3HD1 LEU 74 9.675 -0.166 -4.230 538 1HD2 LEU 74 1HD2 LEU 74 7.031 -2.816 -4.102 539 2HD2 LEU 74 2HD2 LEU 74 7.556 -3.462 -2.521 540 3HD2 LEU 74 3HD2 LEU 74 6.761 -1.878 -2.625 541 H ASP 75 H ASP 75 12.471 -2.780 -5.961 542 HA ASP 75 HA ASP 75 13.580 -5.511 -5.466 543 1HB ASP 75 1HB ASP 75 13.774 -4.729 -7.771 544 2HB ASP 75 2HB ASP 75 14.493 -3.198 -7.237 545 H THR 76 H THR 76 14.158 -1.999 -5.054 546 HA THR 76 HA THR 76 16.563 -2.152 -3.624 547 HB THR 76 HB THR 76 14.422 0.009 -3.475 548 HG1 THR 76 HG1 THR 76 16.306 -0.484 -5.535 549 1HG2 THR 76 1HG2 THR 76 16.360 1.534 -3.412 550 2HG2 THR 76 2HG2 THR 76 16.403 0.399 -2.053 551 3HG2 THR 76 3HG2 THR 76 17.474 0.152 -3.451 552 H LYS 77 H LYS 77 16.830 -3.019 -1.691 553 HA LYS 77 HA LYS 77 14.790 -3.682 0.145 554 1HB LYS 77 1HB LYS 77 16.646 -4.279 1.643 555 2HB LYS 77 2HB LYS 77 16.936 -4.872 -0.001 556 1HG LYS 77 1HG LYS 77 18.454 -2.885 -0.386 557 2HG LYS 77 2HG LYS 77 18.192 -2.401 1.296 558 1HD LYS 77 1HD LYS 77 19.077 -4.642 2.028 559 2HD LYS 77 2HD LYS 77 19.451 -5.012 0.337 560 1HE LYS 77 1HE LYS 77 20.607 -2.716 1.995 561 2HE LYS 77 2HE LYS 77 21.446 -4.201 1.522 562 1HZ LYS 77 1HZ LYS 77 20.460 -2.123 -0.302 563 2HZ LYS 77 2HZ LYS 77 22.028 -2.423 0.092 564 3HZ LYS 77 3HZ LYS 77 21.174 -3.534 -0.772 565 H GLY 78 H GLY 78 14.395 -2.858 2.289 566 1HA GLY 78 1HA GLY 78 15.355 -0.940 3.791 567 2HA GLY 78 2HA GLY 78 14.681 0.094 2.522 568 H THR 79 H THR 79 13.532 0.727 4.620 569 HA THR 79 HA THR 79 11.106 -0.916 5.150 570 HB THR 79 HB THR 79 12.315 1.337 6.796 571 HG1 THR 79 HG1 THR 79 12.465 -1.484 7.127 572 1HG2 THR 79 1HG2 THR 79 9.895 0.984 7.198 573 2HG2 THR 79 2HG2 THR 79 10.175 -0.757 7.425 574 3HG2 THR 79 3HG2 THR 79 10.853 0.413 8.574 575 OH TYR 80 OH TYR 80 11.783 -0.163 -2.235 576 H TYR 80 H TYR 80 9.321 -0.215 4.204 577 HA TYR 80 HA TYR 80 9.134 2.596 3.210 578 1HB TYR 80 1HB TYR 80 7.908 -0.007 2.266 579 2HB TYR 80 2HB TYR 80 7.453 1.572 1.663 580 HD1 TYR 80 HD2 TYR 80 10.577 -0.530 2.106 581 HD2 TYR 80 HD1 TYR 80 8.223 2.012 -0.457 582 HE1 TYR 80 HE2 TYR 80 12.145 -0.939 0.261 583 HE2 TYR 80 HE1 TYR 80 9.637 1.364 -2.359 584 HH TYR 80 HH TYR 80 12.408 -0.860 -2.000 585 H SER 81 H SER 81 7.657 3.809 4.347 586 HA SER 81 HA SER 81 5.442 2.410 5.794 587 1HB SER 81 1HB SER 81 6.279 5.313 5.895 588 2HB SER 81 2HB SER 81 5.073 4.524 6.915 589 HG SER 81 HG SER 81 7.221 4.730 7.866 590 H PHE 82 H PHE 82 3.333 2.532 5.027 591 HA PHE 82 HA PHE 82 2.767 4.506 2.899 592 1HB PHE 82 1HB PHE 82 1.553 2.782 1.613 593 2HB PHE 82 2HB PHE 82 3.248 2.514 1.698 594 HD1 PHE 82 HD2 PHE 82 -0.002 1.493 3.264 595 HD2 PHE 82 HD1 PHE 82 4.099 0.319 2.508 596 HE1 PHE 82 HE2 PHE 82 -0.403 -0.691 4.319 597 HE2 PHE 82 HE1 PHE 82 3.615 -1.885 3.466 598 HZ PHE 82 HZ PHE 82 1.396 -2.391 4.433 599 OH TYR 83 OH TYR 83 1.053 10.669 1.863 600 H TYR 83 H TYR 83 0.489 4.678 2.392 601 HA TYR 83 HA TYR 83 -1.394 4.033 4.526 602 1HB TYR 83 1HB TYR 83 -1.906 6.388 5.064 603 2HB TYR 83 2HB TYR 83 -0.258 5.958 5.510 604 HD1 TYR 83 HD1 TYR 83 1.690 6.850 4.248 605 HD2 TYR 83 HD2 TYR 83 -2.349 8.027 3.308 606 HE1 TYR 83 HE1 TYR 83 2.546 8.815 3.023 607 HE2 TYR 83 HE2 TYR 83 -1.482 10.034 2.128 608 HH TYR 83 HH TYR 83 2.010 10.724 1.847 609 H CYS 84 H CYS 84 -3.554 4.788 4.154 610 HA CYS 84 HA CYS 84 -4.234 5.020 1.232 611 1HB CYS 84 1HB CYS 84 -5.305 3.090 2.312 612 2HB CYS 84 2HB CYS 84 -5.754 4.110 3.691 613 H SER 85 H SER 85 -4.122 7.118 0.818 614 HA SER 85 HA SER 85 -4.271 9.202 2.470 615 1HB SER 85 1HB SER 85 -5.078 10.629 0.512 616 2HB SER 85 2HB SER 85 -3.583 9.708 0.358 617 HG SER 85 HG SER 85 -4.921 8.037 -0.679 618 HA PRO 86 HA PRO 86 -8.918 10.218 2.345 619 1HB PRO 86 1HB PRO 86 -10.771 8.289 1.646 620 2HB PRO 86 2HB PRO 86 -10.051 9.471 0.521 621 1HG PRO 86 1HG PRO 86 -9.136 6.633 1.034 622 2HG PRO 86 2HG PRO 86 -9.463 7.407 -0.547 623 1HD PRO 86 1HD PRO 86 -6.942 7.284 0.341 624 2HD PRO 86 2HD PRO 86 -7.563 8.816 -0.347 625 H HIS 87 H HIS 87 -7.442 7.422 3.728 626 HA HIS 87 HA HIS 87 -9.249 7.695 6.091 627 1HB HIS 87 1HB HIS 87 -8.182 5.114 4.949 628 2HB HIS 87 2HB HIS 87 -9.129 5.276 6.427 629 HD2 HIS 87 HD2 HIS 87 -11.648 6.783 5.770 630 HE1 HIS 87 HE1 HIS 87 -12.195 4.256 2.394 631 HE2 HIS 87 HE2 HIS 87 -13.339 5.866 3.995 632 H GLN 88 H GLN 88 -6.361 8.601 5.112 633 HA GLN 88 HA GLN 88 -4.527 7.269 6.819 634 1HB GLN 88 1HB GLN 88 -3.933 8.812 4.967 635 2HB GLN 88 2HB GLN 88 -4.513 10.188 5.922 636 1HG GLN 88 1HG GLN 88 -2.798 9.705 7.656 637 2HG GLN 88 2HG GLN 88 -2.285 8.269 6.752 638 1HE2 GLN 88 1HE2 GLN 88 0.242 10.532 5.600 639 2HE2 GLN 88 2HE2 GLN 88 -0.101 9.306 6.806 640 H GLY 89 H GLY 89 -6.595 10.131 7.320 641 1HA GLY 89 1HA GLY 89 -5.901 10.787 9.974 642 2HA GLY 89 2HA GLY 89 -7.472 11.092 9.212 643 H ALA 90 H ALA 90 -7.980 8.185 8.711 644 HA ALA 90 HA ALA 90 -9.051 7.509 11.366 645 1HB ALA 90 1HB ALA 90 -9.384 6.121 8.682 646 2HB ALA 90 2HB ALA 90 -10.306 5.812 10.164 647 3HB ALA 90 3HB ALA 90 -10.466 7.372 9.336 648 H GLY 91 H GLY 91 -6.019 7.161 10.176 649 1HA GLY 91 1HA GLY 91 -4.324 5.897 10.998 650 2HA GLY 91 2HA GLY 91 -5.461 4.863 11.867 651 H MET 92 H MET 92 -6.113 5.272 8.401 652 HA MET 92 HA MET 92 -5.448 2.448 8.063 653 1HB MET 92 1HB MET 92 -7.449 3.478 7.005 654 2HB MET 92 2HB MET 92 -6.365 4.372 5.917 655 1HG MET 92 1HG MET 92 -5.492 2.303 4.991 656 2HG MET 92 2HG MET 92 -6.192 1.359 6.288 657 1HE MET 92 1HE MET 92 -7.846 -0.318 3.382 658 2HE MET 92 2HE MET 92 -6.209 0.368 3.412 659 3HE MET 92 3HE MET 92 -6.856 -0.461 4.844 660 H VAL 93 H VAL 93 -3.260 2.683 8.667 661 HA VAL 93 HA VAL 93 -1.439 3.425 6.439 662 HB VAL 93 HB VAL 93 0.187 4.224 7.966 663 1HG1 VAL 93 1HG1 VAL 93 -1.702 5.791 7.317 664 2HG1 VAL 93 2HG1 VAL 93 -2.442 5.461 8.890 665 3HG1 VAL 93 3HG1 VAL 93 -0.843 6.220 8.807 666 1HG2 VAL 93 1HG2 VAL 93 -0.231 4.381 10.401 667 2HG2 VAL 93 2HG2 VAL 93 -1.735 3.457 10.198 668 3HG2 VAL 93 3HG2 VAL 93 -0.164 2.700 9.851 669 H GLY 94 H GLY 94 0.751 2.283 6.689 670 1HA GLY 94 1HA GLY 94 0.873 -0.147 8.192 671 2HA GLY 94 2HA GLY 94 0.455 -0.487 6.505 672 H LYS 95 H LYS 95 2.799 -1.529 7.126 673 HA LYS 95 HA LYS 95 4.799 0.224 5.863 674 1HB LYS 95 1HB LYS 95 5.293 -1.186 8.528 675 2HB LYS 95 2HB LYS 95 6.485 -0.282 7.582 676 1HG LYS 95 1HG LYS 95 5.111 1.795 7.923 677 2HG LYS 95 2HG LYS 95 4.025 0.861 8.970 678 1HD LYS 95 1HD LYS 95 5.867 0.382 10.519 679 2HD LYS 95 2HD LYS 95 7.024 1.170 9.431 680 1HE LYS 95 1HE LYS 95 6.423 2.657 11.290 681 2HE LYS 95 2HE LYS 95 5.918 3.340 9.736 682 1HZ LYS 95 1HZ LYS 95 4.164 1.901 11.608 683 2HZ LYS 95 2HZ LYS 95 4.238 3.538 11.428 684 3HZ LYS 95 3HZ LYS 95 3.702 2.600 10.187 685 H VAL 96 H VAL 96 6.653 -0.981 5.056 686 HA VAL 96 HA VAL 96 6.445 -3.902 5.168 687 HB VAL 96 HB VAL 96 5.010 -3.528 3.374 688 1HG1 VAL 96 1HG1 VAL 96 5.489 -2.289 1.360 689 2HG1 VAL 96 2HG1 VAL 96 5.870 -1.187 2.693 690 3HG1 VAL 96 3HG1 VAL 96 7.174 -2.036 1.834 691 1HG2 VAL 96 1HG2 VAL 96 6.040 -4.747 1.622 692 2HG2 VAL 96 2HG2 VAL 96 7.666 -4.315 2.188 693 3HG2 VAL 96 3HG2 VAL 96 6.626 -5.376 3.179 694 H THR 97 H THR 97 8.327 -4.823 5.275 695 HA THR 97 HA THR 97 10.799 -3.194 4.879 696 HB THR 97 HB THR 97 10.323 -5.789 6.373 697 HG1 THR 97 HG1 THR 97 9.462 -3.951 7.339 698 1HG2 THR 97 1HG2 THR 97 12.620 -5.769 5.535 699 2HG2 THR 97 2HG2 THR 97 12.830 -4.080 6.068 700 3HG2 THR 97 3HG2 THR 97 12.610 -5.381 7.260 701 H VAL 98 H VAL 98 11.364 -3.290 2.738 702 HA VAL 98 HA VAL 98 11.086 -5.802 1.236 703 HB VAL 98 HB VAL 98 12.364 -3.162 0.462 704 1HG1 VAL 98 1HG1 VAL 98 12.099 -3.979 -1.848 705 2HG1 VAL 98 2HG1 VAL 98 13.108 -5.094 -0.931 706 3HG1 VAL 98 3HG1 VAL 98 11.411 -5.503 -1.250 707 1HG2 VAL 98 1HG2 VAL 98 10.251 -2.724 -0.737 708 2HG2 VAL 98 2HG2 VAL 98 9.553 -4.224 -0.106 709 3HG2 VAL 98 3HG2 VAL 98 9.936 -2.882 0.989 710 H ASN 99 H ASN 99 12.782 -7.278 1.030 711 HA ASN 99 HA ASN 99 15.547 -6.364 1.651 712 1HB ASN 99 1HB ASN 99 15.845 -8.379 3.190 713 2HB ASN 99 2HB ASN 99 15.031 -6.948 3.819 714 1HD2 ASN 99 1HD2 ASN 99 12.590 -10.193 3.095 715 2HD2 ASN 99 2HD2 ASN 99 13.887 -9.845 1.946 Start of MODEL 11 Raw file had 715 H/Q atoms Start of MODEL 11 1 H LEU 1 H LEU 1 3.699 -9.952 -2.401 2 HA LEU 1 HA LEU 1 2.542 -11.679 -0.973 3 1HB LEU 1 1HB LEU 1 2.786 -9.382 1.015 4 2HB LEU 1 2HB LEU 1 1.623 -10.686 1.230 5 HG LEU 1 HG LEU 1 3.443 -12.363 1.258 6 1HD1 LEU 1 1HD1 LEU 1 5.260 -11.262 0.086 7 2HD1 LEU 1 2HD1 LEU 1 5.227 -9.893 1.224 8 3HD1 LEU 1 3HD1 LEU 1 5.765 -11.500 1.761 9 1HD2 LEU 1 1HD2 LEU 1 2.462 -11.445 3.324 10 2HD2 LEU 1 2HD2 LEU 1 4.189 -11.771 3.546 11 3HD2 LEU 1 3HD2 LEU 1 3.626 -10.103 3.298 12 H GLU 2 H GLU 2 0.198 -11.687 -0.429 13 HA GLU 2 HA GLU 2 -1.307 -9.768 -2.089 14 1HB GLU 2 1HB GLU 2 -2.020 -12.382 -0.707 15 2HB GLU 2 2HB GLU 2 -3.221 -11.315 -1.459 16 1HG GLU 2 1HG GLU 2 -2.050 -11.387 -3.594 17 2HG GLU 2 2HG GLU 2 -0.790 -12.438 -2.920 18 H VAL 3 H VAL 3 -2.007 -7.972 -1.146 19 HA VAL 3 HA VAL 3 -2.398 -7.916 1.820 20 HB VAL 3 HB VAL 3 -1.741 -5.608 -0.016 21 1HG1 VAL 3 1HG1 VAL 3 -1.846 -5.894 3.019 22 2HG1 VAL 3 2HG1 VAL 3 -1.268 -4.463 2.152 23 3HG1 VAL 3 3HG1 VAL 3 -2.968 -4.946 2.018 24 1HG2 VAL 3 1HG2 VAL 3 0.088 -7.170 1.852 25 2HG2 VAL 3 2HG2 VAL 3 0.197 -7.111 0.081 26 3HG2 VAL 3 3HG2 VAL 3 0.495 -5.653 1.028 27 H LEU 4 H LEU 4 -4.478 -8.075 2.369 28 HA LEU 4 HA LEU 4 -6.592 -7.197 0.518 29 1HB LEU 4 1HB LEU 4 -6.753 -8.226 3.369 30 2HB LEU 4 2HB LEU 4 -8.114 -7.928 2.299 31 HG LEU 4 HG LEU 4 -5.943 -10.043 1.987 32 1HD1 LEU 4 1HD1 LEU 4 -8.970 -10.217 2.367 33 2HD1 LEU 4 2HD1 LEU 4 -7.845 -11.590 2.266 34 3HD1 LEU 4 3HD1 LEU 4 -7.757 -10.478 3.644 35 1HD2 LEU 4 1HD2 LEU 4 -8.227 -9.347 0.090 36 2HD2 LEU 4 2HD2 LEU 4 -6.483 -9.289 -0.279 37 3HD2 LEU 4 3HD2 LEU 4 -7.270 -10.841 0.015 38 H LEU 5 H LEU 5 -7.330 -5.198 0.422 39 HA LEU 5 HA LEU 5 -6.555 -3.180 2.420 40 1HB LEU 5 1HB LEU 5 -8.180 -2.912 -0.110 41 2HB LEU 5 2HB LEU 5 -7.515 -1.606 0.873 42 HG LEU 5 HG LEU 5 -5.807 -3.644 -0.623 43 1HD1 LEU 5 1HD1 LEU 5 -7.104 -2.240 -2.182 44 2HD1 LEU 5 2HD1 LEU 5 -6.537 -0.778 -1.345 45 3HD1 LEU 5 3HD1 LEU 5 -5.392 -1.809 -2.218 46 1HD2 LEU 5 1HD2 LEU 5 -5.205 -1.079 0.912 47 2HD2 LEU 5 2HD2 LEU 5 -4.628 -2.730 1.254 48 3HD2 LEU 5 3HD2 LEU 5 -4.058 -1.862 -0.184 49 H GLY 6 H GLY 6 -7.770 -3.158 4.249 50 1HA GLY 6 1HA GLY 6 -9.582 -2.671 5.493 51 2HA GLY 6 2HA GLY 6 -10.676 -2.845 4.134 52 H SER 7 H SER 7 -10.195 -4.215 7.089 53 HA SER 7 HA SER 7 -10.011 -7.001 6.378 54 1HB SER 7 1HB SER 7 -10.561 -7.154 8.900 55 2HB SER 7 2HB SER 7 -9.070 -6.322 8.436 56 HG SER 7 HG SER 7 -11.512 -5.138 9.227 57 H GLY 8 H GLY 8 -11.657 -8.421 6.989 58 1HA GLY 8 1HA GLY 8 -14.017 -8.335 5.579 59 2HA GLY 8 2HA GLY 8 -13.800 -9.347 7.016 60 H ASP 9 H ASP 9 -13.614 -7.224 8.951 61 HA ASP 9 HA ASP 9 -16.437 -6.729 9.373 62 1HB ASP 9 1HB ASP 9 -15.810 -5.972 11.508 63 2HB ASP 9 2HB ASP 9 -14.709 -7.311 11.163 64 H GLY 10 H GLY 10 -14.428 -5.102 7.317 65 1HA GLY 10 1HA GLY 10 -14.881 -3.156 6.195 66 2HA GLY 10 2HA GLY 10 -16.025 -2.647 7.441 67 H SER 11 H SER 11 -13.330 -3.522 9.221 68 HA SER 11 HA SER 11 -12.727 -0.814 9.774 69 1HB SER 11 1HB SER 11 -12.378 -2.583 11.412 70 2HB SER 11 2HB SER 11 -10.983 -3.191 10.485 71 HG SER 11 HG SER 11 -10.400 -1.711 12.158 72 H LEU 12 H LEU 12 -11.224 0.537 9.132 73 HA LEU 12 HA LEU 12 -10.084 0.229 6.491 74 1HB LEU 12 1HB LEU 12 -9.907 2.461 8.567 75 2HB LEU 12 2HB LEU 12 -9.488 2.616 6.861 76 HG LEU 12 HG LEU 12 -12.302 1.954 7.876 77 1HD1 LEU 12 1HD1 LEU 12 -11.660 4.160 8.632 78 2HD1 LEU 12 2HD1 LEU 12 -11.065 4.590 7.021 79 3HD1 LEU 12 3HD1 LEU 12 -12.801 4.311 7.284 80 1HD2 LEU 12 1HD2 LEU 12 -11.203 2.654 5.131 81 2HD2 LEU 12 2HD2 LEU 12 -11.986 1.140 5.623 82 3HD2 LEU 12 3HD2 LEU 12 -12.929 2.634 5.545 83 H VAL 13 H VAL 13 -8.796 -1.661 7.346 84 HA VAL 13 HA VAL 13 -6.045 -0.673 8.012 85 HB VAL 13 HB VAL 13 -5.679 -2.703 9.351 86 1HG1 VAL 13 1HG1 VAL 13 -8.019 -1.047 10.391 87 2HG1 VAL 13 2HG1 VAL 13 -6.853 -1.976 11.352 88 3HG1 VAL 13 3HG1 VAL 13 -6.311 -0.560 10.432 89 1HG2 VAL 13 1HG2 VAL 13 -8.688 -3.160 9.164 90 2HG2 VAL 13 2HG2 VAL 13 -7.451 -4.175 8.396 91 3HG2 VAL 13 3HG2 VAL 13 -7.540 -4.068 10.159 92 H PHE 14 H PHE 14 -4.328 -1.870 7.148 93 HA PHE 14 HA PHE 14 -4.954 -3.344 4.645 94 1HB PHE 14 1HB PHE 14 -2.384 -2.350 5.954 95 2HB PHE 14 2HB PHE 14 -2.410 -3.367 4.533 96 HD1 PHE 14 HD1 PHE 14 -3.170 0.013 5.869 97 HD2 PHE 14 HD2 PHE 14 -2.609 -2.425 2.358 98 HE1 PHE 14 HE1 PHE 14 -2.811 2.030 4.488 99 HE2 PHE 14 HE2 PHE 14 -2.274 -0.430 1.016 100 HZ PHE 14 HZ PHE 14 -2.469 1.836 2.033 101 H VAL 15 H VAL 15 -4.670 -5.625 4.559 102 HA VAL 15 HA VAL 15 -3.594 -6.952 7.029 103 HB VAL 15 HB VAL 15 -5.907 -7.862 5.324 104 1HG1 VAL 15 1HG1 VAL 15 -6.153 -9.606 7.051 105 2HG1 VAL 15 2HG1 VAL 15 -4.585 -9.746 6.255 106 3HG1 VAL 15 3HG1 VAL 15 -4.693 -9.015 7.873 107 1HG2 VAL 15 1HG2 VAL 15 -6.621 -5.983 6.697 108 2HG2 VAL 15 2HG2 VAL 15 -7.236 -7.488 7.385 109 3HG2 VAL 15 3HG2 VAL 15 -5.833 -6.689 8.129 110 HA PRO 16 HA PRO 16 -1.660 -7.877 7.492 111 1HB PRO 16 1HB PRO 16 1.008 -7.616 6.999 112 2HB PRO 16 2HB PRO 16 0.168 -9.188 7.033 113 1HG PRO 16 1HG PRO 16 0.791 -7.489 4.591 114 2HG PRO 16 2HG PRO 16 1.170 -9.221 4.834 115 1HD PRO 16 1HD PRO 16 -1.046 -8.466 3.488 116 2HD PRO 16 2HD PRO 16 -1.153 -9.811 4.650 117 H SER 17 H SER 17 -0.735 -6.044 8.636 118 HA SER 17 HA SER 17 -1.205 -3.454 7.381 119 1HB SER 17 1HB SER 17 -0.678 -2.813 9.822 120 2HB SER 17 2HB SER 17 -2.115 -3.820 9.543 121 HG SER 17 HG SER 17 -0.805 -4.692 11.222 122 H GLU 18 H GLU 18 1.311 -4.901 9.365 123 HA GLU 18 HA GLU 18 3.440 -3.485 7.820 124 1HB GLU 18 1HB GLU 18 3.291 -4.128 10.792 125 2HB GLU 18 2HB GLU 18 4.752 -3.567 9.953 126 1HG GLU 18 1HG GLU 18 3.548 -1.547 9.183 127 2HG GLU 18 2HG GLU 18 2.095 -2.053 10.057 128 H PHE 19 H PHE 19 5.073 -4.739 7.015 129 HA PHE 19 HA PHE 19 5.480 -7.456 8.020 130 1HB PHE 19 1HB PHE 19 4.845 -8.636 5.986 131 2HB PHE 19 2HB PHE 19 3.469 -7.809 6.666 132 HD1 PHE 19 HD2 PHE 19 2.643 -5.627 5.592 133 HD2 PHE 19 HD1 PHE 19 5.536 -8.234 3.718 134 HE1 PHE 19 HE2 PHE 19 2.014 -4.741 3.375 135 HE2 PHE 19 HE1 PHE 19 4.894 -7.334 1.502 136 HZ PHE 19 HZ PHE 19 3.134 -5.590 1.325 137 H SER 20 H SER 20 7.012 -8.692 6.452 138 HA SER 20 HA SER 20 9.012 -6.856 5.288 139 1HB SER 20 1HB SER 20 10.717 -8.498 6.184 140 2HB SER 20 2HB SER 20 9.887 -7.572 7.451 141 HG SER 20 HG SER 20 9.018 -10.142 6.599 142 H VAL 21 H VAL 21 10.063 -7.779 3.360 143 HA VAL 21 HA VAL 21 9.100 -10.412 2.505 144 HB VAL 21 HB VAL 21 7.331 -8.848 1.876 145 1HG1 VAL 21 1HG1 VAL 21 8.696 -6.749 1.660 146 2HG1 VAL 21 2HG1 VAL 21 9.368 -7.381 0.141 147 3HG1 VAL 21 3HG1 VAL 21 7.635 -7.058 0.279 148 1HG2 VAL 21 1HG2 VAL 21 7.802 -10.764 0.446 149 2HG2 VAL 21 2HG2 VAL 21 7.265 -9.379 -0.535 150 3HG2 VAL 21 3HG2 VAL 21 8.992 -9.799 -0.453 151 HA PRO 22 HA PRO 22 13.280 -10.479 0.937 152 1HB PRO 22 1HB PRO 22 12.091 -12.118 -1.300 153 2HB PRO 22 2HB PRO 22 13.595 -12.412 -0.385 154 1HG PRO 22 1HG PRO 22 11.352 -13.796 0.242 155 2HG PRO 22 2HG PRO 22 12.335 -13.081 1.556 156 1HD PRO 22 1HD PRO 22 9.807 -11.976 0.311 157 2HD PRO 22 2HD PRO 22 10.253 -12.149 2.034 158 H SER 23 H SER 23 14.463 -9.177 -0.472 159 HA SER 23 HA SER 23 13.184 -7.161 -1.964 160 1HB SER 23 1HB SER 23 16.032 -8.192 -2.284 161 2HB SER 23 2HB SER 23 15.424 -6.602 -2.776 162 HG SER 23 HG SER 23 15.557 -7.614 -0.113 163 H GLY 24 H GLY 24 12.445 -6.967 -4.021 164 1HA GLY 24 1HA GLY 24 12.521 -7.417 -6.349 165 2HA GLY 24 2HA GLY 24 13.208 -9.012 -6.061 166 H GLU 25 H GLU 25 10.935 -9.216 -3.761 167 HA GLU 25 HA GLU 25 9.166 -10.669 -5.470 168 1HB GLU 25 1HB GLU 25 9.021 -9.784 -2.587 169 2HB GLU 25 2HB GLU 25 7.832 -10.865 -3.304 170 1HG GLU 25 1HG GLU 25 10.830 -11.434 -3.134 171 2HG GLU 25 2HG GLU 25 9.596 -12.111 -2.061 172 H LYS 26 H LYS 26 6.949 -10.454 -5.671 173 HA LYS 26 HA LYS 26 6.065 -7.744 -6.354 174 1HB LYS 26 1HB LYS 26 5.978 -9.506 -8.003 175 2HB LYS 26 2HB LYS 26 4.961 -10.509 -6.954 176 1HG LYS 26 1HG LYS 26 3.142 -8.863 -7.082 177 2HG LYS 26 2HG LYS 26 4.131 -7.777 -8.054 178 1HD LYS 26 1HD LYS 26 3.290 -10.607 -8.846 179 2HD LYS 26 2HD LYS 26 2.475 -9.131 -9.362 180 1HE LYS 26 1HE LYS 26 5.317 -9.975 -10.095 181 2HE LYS 26 2HE LYS 26 3.903 -9.909 -11.146 182 1HZ LYS 26 1HZ LYS 26 3.835 -7.522 -10.762 183 2HZ LYS 26 2HZ LYS 26 5.239 -7.609 -9.895 184 3HZ LYS 26 3HZ LYS 26 5.228 -8.014 -11.486 185 H ILE 27 H ILE 27 4.275 -6.756 -5.476 186 HA ILE 27 HA ILE 27 2.906 -8.070 -3.185 187 HB ILE 27 HB ILE 27 3.483 -5.119 -3.483 188 1HG1 ILE 27 1HG1 ILE 27 4.911 -7.167 -1.719 189 2HG1 ILE 27 2HG1 ILE 27 5.614 -6.365 -3.134 190 1HG2 ILE 27 1HG2 ILE 27 2.676 -4.987 -1.164 191 2HG2 ILE 27 2HG2 ILE 27 1.451 -5.764 -2.155 192 3HG2 ILE 27 3HG2 ILE 27 2.489 -6.751 -1.106 193 1HD1 ILE 27 1HD1 ILE 27 5.306 -4.153 -2.035 194 2HD1 ILE 27 2HD1 ILE 27 4.809 -5.002 -0.551 195 3HD1 ILE 27 3HD1 ILE 27 6.433 -5.250 -1.210 196 H VAL 28 H VAL 28 0.737 -8.049 -3.326 197 HA VAL 28 HA VAL 28 -0.590 -6.646 -5.622 198 HB VAL 28 HB VAL 28 -1.090 -9.442 -4.531 199 1HG1 VAL 28 1HG1 VAL 28 -2.472 -7.895 -6.772 200 2HG1 VAL 28 2HG1 VAL 28 -2.708 -9.618 -6.423 201 3HG1 VAL 28 3HG1 VAL 28 -3.210 -8.406 -5.242 202 1HG2 VAL 28 1HG2 VAL 28 -0.398 -10.204 -6.774 203 2HG2 VAL 28 2HG2 VAL 28 0.020 -8.538 -7.216 204 3HG2 VAL 28 3HG2 VAL 28 0.924 -9.384 -5.940 205 H PHE 29 H PHE 29 -1.510 -4.952 -4.513 206 HA PHE 29 HA PHE 29 -2.892 -5.439 -1.950 207 1HB PHE 29 1HB PHE 29 -2.636 -2.979 -3.689 208 2HB PHE 29 2HB PHE 29 -3.430 -3.037 -2.126 209 HD1 PHE 29 HD1 PHE 29 -0.160 -3.118 -3.852 210 HD2 PHE 29 HD2 PHE 29 -2.150 -3.142 -0.031 211 HE1 PHE 29 HE1 PHE 29 1.975 -2.546 -2.719 212 HE2 PHE 29 HE2 PHE 29 -0.036 -2.438 1.074 213 HZ PHE 29 HZ PHE 29 2.030 -2.158 -0.274 214 H LYS 30 H LYS 30 -5.168 -5.706 -1.832 215 HA LYS 30 HA LYS 30 -6.747 -5.448 -4.371 216 1HB LYS 30 1HB LYS 30 -6.036 -7.736 -4.200 217 2HB LYS 30 2HB LYS 30 -6.504 -7.819 -2.512 218 1HG LYS 30 1HG LYS 30 -8.767 -7.082 -4.311 219 2HG LYS 30 2HG LYS 30 -8.035 -8.640 -4.684 220 1HD LYS 30 1HD LYS 30 -8.279 -9.408 -2.386 221 2HD LYS 30 2HD LYS 30 -8.938 -7.838 -1.878 222 1HE LYS 30 1HE LYS 30 -10.908 -8.162 -3.277 223 2HE LYS 30 2HE LYS 30 -10.239 -9.660 -3.949 224 1HZ LYS 30 1HZ LYS 30 -10.317 -10.610 -1.766 225 2HZ LYS 30 2HZ LYS 30 -10.922 -9.219 -1.123 226 3HZ LYS 30 3HZ LYS 30 -11.810 -10.076 -2.209 227 H ASN 31 H ASN 31 -8.681 -4.464 -4.159 228 HA ASN 31 HA ASN 31 -9.560 -3.376 -1.635 229 1HB ASN 31 1HB ASN 31 -10.666 -3.521 -4.458 230 2HB ASN 31 2HB ASN 31 -11.767 -3.193 -3.120 231 1HD2 ASN 31 1HD2 ASN 31 -11.095 0.151 -4.043 232 2HD2 ASN 31 2HD2 ASN 31 -12.042 -1.244 -4.549 233 H ASN 32 H ASN 32 -10.014 -4.817 -0.039 234 HA ASN 32 HA ASN 32 -11.661 -7.211 -0.639 235 1HB ASN 32 1HB ASN 32 -9.685 -7.457 0.703 236 2HB ASN 32 2HB ASN 32 -10.216 -6.252 1.852 237 1HD2 ASN 32 1HD2 ASN 32 -12.112 -8.554 3.730 238 2HD2 ASN 32 2HD2 ASN 32 -11.274 -7.000 3.640 239 H ALA 33 H ALA 33 -11.606 -4.620 1.769 240 HA ALA 33 HA ALA 33 -14.528 -4.156 1.539 241 1HB ALA 33 1HB ALA 33 -14.893 -4.581 3.965 242 2HB ALA 33 2HB ALA 33 -14.367 -6.051 3.129 243 3HB ALA 33 3HB ALA 33 -13.207 -5.126 4.102 244 H GLY 34 H GLY 34 -15.027 -2.380 3.434 245 1HA GLY 34 1HA GLY 34 -14.709 -0.211 4.065 246 2HA GLY 34 2HA GLY 34 -13.073 -0.723 4.488 247 H PHE 35 H PHE 35 -13.878 -0.936 1.119 248 HA PHE 35 HA PHE 35 -11.956 1.104 0.300 249 1HB PHE 35 1HB PHE 35 -12.471 0.233 -1.922 250 2HB PHE 35 2HB PHE 35 -12.132 -1.013 -0.775 251 HD1 PHE 35 HD1 PHE 35 -15.002 0.847 -2.278 252 HD2 PHE 35 HD2 PHE 35 -13.541 -2.831 -0.563 253 HE1 PHE 35 HE1 PHE 35 -17.203 -0.238 -2.715 254 HE2 PHE 35 HE2 PHE 35 -15.782 -3.870 -0.865 255 HZ PHE 35 HZ PHE 35 -17.609 -2.582 -1.965 256 HA PRO 36 HA PRO 36 -12.486 2.220 -2.278 257 1HB PRO 36 1HB PRO 36 -12.269 5.178 -1.901 258 2HB PRO 36 2HB PRO 36 -12.341 4.302 -3.450 259 1HG PRO 36 1HG PRO 36 -14.530 5.595 -2.495 260 2HG PRO 36 2HG PRO 36 -14.741 3.916 -3.084 261 1HD PRO 36 1HD PRO 36 -14.314 4.825 -0.211 262 2HD PRO 36 2HD PRO 36 -15.580 3.754 -0.875 263 H HIS 37 H HIS 37 -10.206 2.546 -2.720 264 HA HIS 37 HA HIS 37 -8.563 3.623 -0.549 265 1HB HIS 37 1HB HIS 37 -8.335 0.725 -1.454 266 2HB HIS 37 2HB HIS 37 -7.295 1.493 -0.265 267 HD2 HIS 37 HD2 HIS 37 -9.845 -1.007 -0.374 268 HE1 HIS 37 HE1 HIS 37 -10.207 0.600 3.525 269 HE2 HIS 37 HE2 HIS 37 -10.665 -1.416 2.029 270 H ASN 38 H ASN 38 -6.205 3.378 -1.017 271 HA ASN 38 HA ASN 38 -5.259 2.696 -3.590 272 1HB ASN 38 1HB ASN 38 -4.416 4.864 -4.287 273 2HB ASN 38 2HB ASN 38 -6.168 4.892 -4.199 274 1HD2 ASN 38 1HD2 ASN 38 -5.569 8.089 -2.757 275 2HD2 ASN 38 2HD2 ASN 38 -5.921 7.263 -4.271 276 H VAL 39 H VAL 39 -2.727 3.575 -3.418 277 HA VAL 39 HA VAL 39 -1.897 3.322 -0.575 278 HB VAL 39 HB VAL 39 -0.717 1.706 -2.848 279 1HG1 VAL 39 1HG1 VAL 39 0.895 2.306 -1.048 280 2HG1 VAL 39 2HG1 VAL 39 -0.227 1.654 0.166 281 3HG1 VAL 39 3HG1 VAL 39 0.527 0.578 -1.024 282 1HG2 VAL 39 1HG2 VAL 39 -1.668 -0.258 -1.479 283 2HG2 VAL 39 2HG2 VAL 39 -2.658 0.939 -0.631 284 3HG2 VAL 39 3HG2 VAL 39 -2.859 0.700 -2.374 285 H VAL 40 H VAL 40 -0.586 4.909 -0.096 286 HA VAL 40 HA VAL 40 1.049 6.244 -2.189 287 HB VAL 40 HB VAL 40 -0.384 7.435 0.229 288 1HG1 VAL 40 1HG1 VAL 40 1.759 8.592 -0.217 289 2HG1 VAL 40 2HG1 VAL 40 1.315 8.777 -1.925 290 3HG1 VAL 40 3HG1 VAL 40 0.393 9.618 -0.667 291 1HG2 VAL 40 1HG2 VAL 40 -2.010 6.988 -1.531 292 2HG2 VAL 40 2HG2 VAL 40 -1.666 8.723 -1.517 293 3HG2 VAL 40 3HG2 VAL 40 -0.928 7.691 -2.751 294 H PHE 41 H PHE 41 3.180 6.534 -1.574 295 HA PHE 41 HA PHE 41 4.041 5.235 0.964 296 1HB PHE 41 1HB PHE 41 5.442 5.765 -1.660 297 2HB PHE 41 2HB PHE 41 6.246 5.170 -0.224 298 HD1 PHE 41 HD2 PHE 41 3.716 4.289 -2.776 299 HD2 PHE 41 HD1 PHE 41 5.943 2.953 0.623 300 HE1 PHE 41 HE2 PHE 41 2.928 1.967 -3.189 301 HE2 PHE 41 HE1 PHE 41 5.346 0.581 0.095 302 HZ PHE 41 HZ PHE 41 3.789 0.101 -1.788 303 H ASP 42 H ASP 42 5.102 6.419 2.481 304 HA ASP 42 HA ASP 42 4.893 9.287 2.381 305 1HB ASP 42 1HB ASP 42 4.818 8.059 4.499 306 2HB ASP 42 2HB ASP 42 6.445 7.421 4.196 307 H GLU 43 H GLU 43 6.228 10.690 1.347 308 HA GLU 43 HA GLU 43 8.631 9.775 0.041 309 1HB GLU 43 1HB GLU 43 8.709 12.117 -0.801 310 2HB GLU 43 2HB GLU 43 7.221 11.236 -1.156 311 1HG GLU 43 1HG GLU 43 5.977 12.458 0.542 312 2HG GLU 43 2HG GLU 43 7.469 13.189 1.167 313 H ASP 44 H ASP 44 9.200 9.260 2.567 314 HA ASP 44 HA ASP 44 11.665 10.707 2.937 315 1HB ASP 44 1HB ASP 44 10.277 12.316 4.122 316 2HB ASP 44 2HB ASP 44 9.535 11.049 5.102 317 H GLU 45 H GLU 45 9.378 8.748 4.947 318 HA GLU 45 HA GLU 45 11.610 6.957 5.663 319 1HB GLU 45 1HB GLU 45 9.790 5.799 7.027 320 2HB GLU 45 2HB GLU 45 10.439 7.353 7.537 321 1HG GLU 45 1HG GLU 45 8.529 8.568 6.873 322 2HG GLU 45 2HG GLU 45 7.900 7.198 5.921 323 H ILE 46 H ILE 46 11.799 6.717 3.347 324 HA ILE 46 HA ILE 46 10.946 4.040 2.524 325 HB ILE 46 HB ILE 46 10.697 4.885 0.151 326 1HG1 ILE 46 1HG1 ILE 46 10.366 7.645 1.383 327 2HG1 ILE 46 2HG1 ILE 46 11.786 7.096 0.488 328 1HG2 ILE 46 1HG2 ILE 46 8.340 5.619 0.420 329 2HG2 ILE 46 2HG2 ILE 46 8.745 4.181 1.332 330 3HG2 ILE 46 3HG2 ILE 46 8.593 5.735 2.166 331 1HD1 ILE 46 1HD1 ILE 46 10.454 8.297 -1.057 332 2HD1 ILE 46 2HD1 ILE 46 10.302 6.583 -1.482 333 3HD1 ILE 46 3HD1 ILE 46 8.984 7.412 -0.625 334 HA PRO 47 HA PRO 47 15.276 3.936 1.865 335 1HB PRO 47 1HB PRO 47 15.486 2.554 -0.627 336 2HB PRO 47 2HB PRO 47 15.566 1.902 1.023 337 1HG PRO 47 1HG PRO 47 13.331 1.837 -0.906 338 2HG PRO 47 2HG PRO 47 13.595 0.823 0.544 339 1HD PRO 47 1HD PRO 47 11.723 2.902 0.298 340 2HD PRO 47 2HD PRO 47 12.291 2.188 1.831 341 H ALA 48 H ALA 48 16.295 5.751 1.477 342 HA ALA 48 HA ALA 48 15.706 7.808 -0.230 343 1HB ALA 48 1HB ALA 48 18.023 8.573 0.171 344 2HB ALA 48 2HB ALA 48 17.257 7.979 1.657 345 3HB ALA 48 3HB ALA 48 18.447 6.971 0.806 346 H GLY 49 H GLY 49 15.509 7.784 -2.379 347 1HA GLY 49 1HA GLY 49 17.010 7.843 -4.429 348 2HA GLY 49 2HA GLY 49 17.345 6.137 -4.086 349 H VAL 50 H VAL 50 14.604 5.561 -3.050 350 HA VAL 50 HA VAL 50 13.428 5.018 -5.662 351 HB VAL 50 HB VAL 50 12.311 4.475 -2.884 352 1HG1 VAL 50 1HG1 VAL 50 10.991 2.761 -4.184 353 2HG1 VAL 50 2HG1 VAL 50 10.565 4.422 -4.611 354 3HG1 VAL 50 3HG1 VAL 50 11.605 3.460 -5.684 355 1HG2 VAL 50 1HG2 VAL 50 13.131 2.168 -3.298 356 2HG2 VAL 50 2HG2 VAL 50 13.939 2.717 -4.780 357 3HG2 VAL 50 3HG2 VAL 50 14.471 3.315 -3.192 358 H ASP 51 H ASP 51 12.405 6.605 -6.743 359 HA ASP 51 HA ASP 51 11.353 8.972 -5.563 360 1HB ASP 51 1HB ASP 51 12.052 8.929 -7.879 361 2HB ASP 51 2HB ASP 51 10.861 7.677 -8.264 362 H ALA 52 H ALA 52 9.727 8.940 -4.171 363 HA ALA 52 HA ALA 52 7.830 7.043 -3.610 364 1HB ALA 52 1HB ALA 52 8.322 9.042 -2.235 365 2HB ALA 52 2HB ALA 52 7.427 10.047 -3.393 366 3HB ALA 52 3HB ALA 52 6.584 8.781 -2.471 367 H VAL 53 H VAL 53 7.621 9.624 -6.074 368 HA VAL 53 HA VAL 53 4.865 9.353 -6.680 369 HB VAL 53 HB VAL 53 7.160 10.269 -8.463 370 1HG1 VAL 53 1HG1 VAL 53 4.157 10.718 -8.697 371 2HG1 VAL 53 2HG1 VAL 53 5.390 11.585 -9.635 372 3HG1 VAL 53 3HG1 VAL 53 5.195 9.846 -9.846 373 1HG2 VAL 53 1HG2 VAL 53 7.034 11.602 -6.375 374 2HG2 VAL 53 2HG2 VAL 53 6.449 12.550 -7.743 375 3HG2 VAL 53 3HG2 VAL 53 5.289 11.823 -6.615 376 H LYS 54 H LYS 54 7.630 7.332 -7.641 377 HA LYS 54 HA LYS 54 6.173 6.143 -9.892 378 1HB LYS 54 1HB LYS 54 8.692 5.257 -8.438 379 2HB LYS 54 2HB LYS 54 8.071 4.537 -9.924 380 1HG LYS 54 1HG LYS 54 8.848 7.473 -9.676 381 2HG LYS 54 2HG LYS 54 9.942 6.203 -10.232 382 1HD LYS 54 1HD LYS 54 8.415 5.671 -12.103 383 2HD LYS 54 2HD LYS 54 7.309 6.957 -11.597 384 1HE LYS 54 1HE LYS 54 10.212 7.399 -12.417 385 2HE LYS 54 2HE LYS 54 8.799 7.644 -13.456 386 1HZ LYS 54 1HZ LYS 54 9.354 9.102 -10.963 387 2HZ LYS 54 2HZ LYS 54 9.482 9.682 -12.495 388 3HZ LYS 54 3HZ LYS 54 8.004 9.276 -11.894 389 H ILE 55 H ILE 55 6.810 5.279 -6.524 390 HA ILE 55 HA ILE 55 5.419 2.705 -6.737 391 HB ILE 55 HB ILE 55 5.746 2.557 -4.356 392 1HG1 ILE 55 1HG1 ILE 55 7.483 5.056 -4.729 393 2HG1 ILE 55 2HG1 ILE 55 5.976 4.958 -3.785 394 1HG2 ILE 55 1HG2 ILE 55 8.026 1.881 -4.597 395 2HG2 ILE 55 2HG2 ILE 55 7.225 1.574 -6.127 396 3HG2 ILE 55 3HG2 ILE 55 8.282 2.997 -5.963 397 1HD1 ILE 55 1HD1 ILE 55 8.614 3.580 -3.314 398 2HD1 ILE 55 2HD1 ILE 55 7.729 4.652 -2.210 399 3HD1 ILE 55 3HD1 ILE 55 7.100 3.010 -2.577 400 H SER 56 H SER 56 4.643 5.944 -5.488 401 HA SER 56 HA SER 56 2.202 5.116 -4.179 402 1HB SER 56 1HB SER 56 3.177 7.868 -4.986 403 2HB SER 56 2HB SER 56 1.884 7.524 -3.845 404 HG SER 56 HG SER 56 4.659 7.020 -3.647 405 H MET 57 H MET 57 0.140 5.091 -4.858 406 HA MET 57 HA MET 57 -0.501 5.625 -7.647 407 1HB MET 57 1HB MET 57 -2.262 5.253 -5.175 408 2HB MET 57 2HB MET 57 -2.826 5.305 -6.853 409 1HG MET 57 1HG MET 57 -1.518 3.247 -7.351 410 2HG MET 57 2HG MET 57 -0.921 3.219 -5.690 411 1HE MET 57 1HE MET 57 -5.311 2.447 -6.880 412 2HE MET 57 2HE MET 57 -4.692 4.100 -6.757 413 3HE MET 57 3HE MET 57 -4.045 2.994 -7.997 414 HA PRO 58 HA PRO 58 -0.899 10.032 -6.744 415 1HB PRO 58 1HB PRO 58 -2.585 10.898 -8.749 416 2HB PRO 58 2HB PRO 58 -0.854 10.520 -8.964 417 1HG PRO 58 1HG PRO 58 -3.241 8.755 -9.537 418 2HG PRO 58 2HG PRO 58 -1.827 9.033 -10.589 419 1HD PRO 58 1HD PRO 58 -2.055 6.822 -8.994 420 2HD PRO 58 2HD PRO 58 -0.465 7.603 -9.259 421 H GLU 59 H GLU 59 -2.132 10.832 -5.148 422 HA GLU 59 HA GLU 59 -4.205 9.563 -3.907 423 1HB GLU 59 1HB GLU 59 -4.662 11.713 -2.762 424 2HB GLU 59 2HB GLU 59 -2.962 11.237 -2.789 425 1HG GLU 59 1HG GLU 59 -2.506 12.858 -4.620 426 2HG GLU 59 2HG GLU 59 -4.219 13.302 -4.660 427 H GLU 60 H GLU 60 -4.549 11.812 -6.570 428 HA GLU 60 HA GLU 60 -7.299 12.355 -6.438 429 1HB GLU 60 1HB GLU 60 -5.546 13.431 -7.888 430 2HB GLU 60 2HB GLU 60 -5.582 12.017 -8.947 431 1HG GLU 60 1HG GLU 60 -7.987 13.804 -8.316 432 2HG GLU 60 2HG GLU 60 -6.910 14.044 -9.697 433 H GLU 61 H GLU 61 -5.572 9.524 -7.694 434 HA GLU 61 HA GLU 61 -8.042 8.289 -8.713 435 1HB GLU 61 1HB GLU 61 -5.104 7.482 -8.771 436 2HB GLU 61 2HB GLU 61 -6.432 6.554 -9.462 437 1HG GLU 61 1HG GLU 61 -7.026 8.468 -10.944 438 2HG GLU 61 2HG GLU 61 -5.672 9.395 -10.289 439 H LEU 62 H LEU 62 -8.840 6.327 -7.936 440 HA LEU 62 HA LEU 62 -7.589 4.947 -5.768 441 1HB LEU 62 1HB LEU 62 -9.605 5.221 -4.229 442 2HB LEU 62 2HB LEU 62 -8.295 6.392 -4.248 443 HG LEU 62 HG LEU 62 -9.654 7.952 -5.631 444 1HD1 LEU 62 1HD1 LEU 62 -11.230 6.488 -6.779 445 2HD1 LEU 62 2HD1 LEU 62 -11.830 5.838 -5.236 446 3HD1 LEU 62 3HD1 LEU 62 -12.145 7.526 -5.688 447 1HD2 LEU 62 1HD2 LEU 62 -9.466 8.040 -3.220 448 2HD2 LEU 62 2HD2 LEU 62 -11.090 8.559 -3.727 449 3HD2 LEU 62 3HD2 LEU 62 -10.841 6.930 -3.038 450 H LEU 63 H LEU 63 -8.519 3.011 -5.272 451 HA LEU 63 HA LEU 63 -10.034 1.739 -7.426 452 1HB LEU 63 1HB LEU 63 -9.069 0.661 -4.743 453 2HB LEU 63 2HB LEU 63 -9.586 -0.274 -6.154 454 HG LEU 63 HG LEU 63 -7.089 1.440 -5.844 455 1HD1 LEU 63 1HD1 LEU 63 -7.459 -1.546 -6.239 456 2HD1 LEU 63 2HD1 LEU 63 -5.912 -0.698 -6.053 457 3HD1 LEU 63 3HD1 LEU 63 -7.062 -0.750 -4.701 458 1HD2 LEU 63 1HD2 LEU 63 -8.073 -0.091 -8.297 459 2HD2 LEU 63 2HD2 LEU 63 -7.807 1.659 -8.180 460 3HD2 LEU 63 3HD2 LEU 63 -6.434 0.547 -8.100 461 H ASN 64 H ASN 64 -12.175 2.303 -7.392 462 HA ASN 64 HA ASN 64 -13.546 2.978 -4.886 463 1HB ASN 64 1HB ASN 64 -15.303 3.790 -6.301 464 2HB ASN 64 2HB ASN 64 -13.750 4.440 -6.850 465 1HD2 ASN 64 1HD2 ASN 64 -15.892 3.077 -9.735 466 2HD2 ASN 64 2HD2 ASN 64 -16.335 4.082 -8.369 467 H ALA 65 H ALA 65 -13.679 0.464 -7.399 468 HA ALA 65 HA ALA 65 -16.070 -0.757 -6.172 469 1HB ALA 65 1HB ALA 65 -15.923 -2.260 -8.174 470 2HB ALA 65 2HB ALA 65 -15.916 -0.542 -8.610 471 3HB ALA 65 3HB ALA 65 -14.411 -1.476 -8.624 472 HA PRO 66 HA PRO 66 -13.779 -3.843 -3.874 473 1HB PRO 66 1HB PRO 66 -15.331 -6.097 -4.117 474 2HB PRO 66 2HB PRO 66 -15.808 -4.699 -3.125 475 1HG PRO 66 1HG PRO 66 -16.648 -5.316 -5.966 476 2HG PRO 66 2HG PRO 66 -17.699 -4.877 -4.587 477 1HD PRO 66 1HD PRO 66 -16.933 -3.031 -6.387 478 2HD PRO 66 2HD PRO 66 -16.965 -2.606 -4.659 479 H GLY 67 H GLY 67 -12.561 -5.910 -4.201 480 1HA GLY 67 1HA GLY 67 -11.541 -7.547 -5.477 481 2HA GLY 67 2HA GLY 67 -12.526 -7.109 -6.868 482 H GLU 68 H GLU 68 -11.824 -4.387 -7.143 483 HA GLU 68 HA GLU 68 -9.727 -4.356 -8.870 484 1HB GLU 68 1HB GLU 68 -10.565 -2.161 -6.938 485 2HB GLU 68 2HB GLU 68 -9.481 -1.921 -8.322 486 1HG GLU 68 1HG GLU 68 -11.311 -2.795 -9.830 487 2HG GLU 68 2HG GLU 68 -12.401 -2.778 -8.433 488 H THR 69 H THR 69 -7.504 -4.319 -8.873 489 HA THR 69 HA THR 69 -6.163 -4.474 -6.244 490 HB THR 69 HB THR 69 -4.523 -5.901 -7.483 491 HG1 THR 69 HG1 THR 69 -5.209 -6.591 -9.583 492 1HG2 THR 69 1HG2 THR 69 -5.877 -7.888 -7.642 493 2HG2 THR 69 2HG2 THR 69 -6.532 -6.916 -6.312 494 3HG2 THR 69 3HG2 THR 69 -7.358 -6.946 -7.880 495 OH TYR 70 OH TYR 70 2.386 0.681 -5.296 496 H TYR 70 H TYR 70 -3.885 -3.967 -6.277 497 HA TYR 70 HA TYR 70 -2.878 -1.997 -8.242 498 1HB TYR 70 1HB TYR 70 -3.556 -0.438 -6.637 499 2HB TYR 70 2HB TYR 70 -3.309 -1.526 -5.294 500 HD1 TYR 70 HD1 TYR 70 -1.164 -0.049 -8.061 501 HD2 TYR 70 HD2 TYR 70 -1.605 -0.881 -3.856 502 HE1 TYR 70 HE1 TYR 70 1.144 0.761 -7.648 503 HE2 TYR 70 HE2 TYR 70 0.744 -0.202 -3.478 504 HH TYR 70 HH TYR 70 2.662 1.461 -5.794 505 H VAL 71 H VAL 71 -1.096 -3.042 -8.959 506 HA VAL 71 HA VAL 71 0.280 -4.975 -7.163 507 HB VAL 71 HB VAL 71 0.294 -4.763 -10.197 508 1HG1 VAL 71 1HG1 VAL 71 2.326 -5.851 -9.359 509 2HG1 VAL 71 2HG1 VAL 71 1.363 -6.871 -8.269 510 3HG1 VAL 71 3HG1 VAL 71 1.247 -7.075 -10.032 511 1HG2 VAL 71 1HG2 VAL 71 -1.112 -6.828 -10.099 512 2HG2 VAL 71 2HG2 VAL 71 -1.250 -6.622 -8.340 513 3HG2 VAL 71 3HG2 VAL 71 -1.951 -5.420 -9.443 514 H VAL 72 H VAL 72 2.507 -4.865 -6.883 515 HA VAL 72 HA VAL 72 4.128 -2.923 -8.351 516 HB VAL 72 HB VAL 72 3.042 -1.562 -6.585 517 1HG1 VAL 72 1HG1 VAL 72 3.627 -1.853 -4.230 518 2HG1 VAL 72 2HG1 VAL 72 2.772 -3.283 -4.841 519 3HG1 VAL 72 3HG1 VAL 72 4.538 -3.326 -4.604 520 1HG2 VAL 72 1HG2 VAL 72 5.323 -0.995 -7.427 521 2HG2 VAL 72 2HG2 VAL 72 4.977 -0.422 -5.788 522 3HG2 VAL 72 3HG2 VAL 72 6.009 -1.837 -6.016 523 H THR 73 H THR 73 6.444 -3.163 -7.606 524 HA THR 73 HA THR 73 7.080 -5.744 -6.335 525 HB THR 73 HB THR 73 7.969 -5.011 -9.167 526 HG1 THR 73 HG1 THR 73 5.826 -6.377 -8.152 527 1HG2 THR 73 1HG2 THR 73 8.408 -7.562 -7.556 528 2HG2 THR 73 2HG2 THR 73 8.938 -7.264 -9.218 529 3HG2 THR 73 3HG2 THR 73 9.660 -6.344 -7.886 530 H LEU 74 H LEU 74 8.685 -5.331 -4.926 531 HA LEU 74 HA LEU 74 10.145 -2.730 -5.232 532 1HB LEU 74 1HB LEU 74 9.586 -4.308 -2.722 533 2HB LEU 74 2HB LEU 74 10.366 -2.720 -2.875 534 HG LEU 74 HG LEU 74 7.460 -3.370 -3.563 535 1HD1 LEU 74 1HD1 LEU 74 7.958 -3.313 -1.132 536 2HD1 LEU 74 2HD1 LEU 74 8.631 -1.679 -1.317 537 3HD1 LEU 74 3HD1 LEU 74 6.913 -1.973 -1.635 538 1HD2 LEU 74 1HD2 LEU 74 8.994 -0.734 -3.693 539 2HD2 LEU 74 2HD2 LEU 74 8.218 -1.576 -5.047 540 3HD2 LEU 74 3HD2 LEU 74 7.225 -0.873 -3.766 541 H ASP 75 H ASP 75 11.895 -3.202 -6.373 542 HA ASP 75 HA ASP 75 13.596 -5.512 -5.856 543 1HB ASP 75 1HB ASP 75 13.441 -4.586 -8.102 544 2HB ASP 75 2HB ASP 75 13.964 -2.991 -7.529 545 H THR 76 H THR 76 13.778 -1.976 -5.211 546 HA THR 76 HA THR 76 16.340 -2.137 -3.961 547 HB THR 76 HB THR 76 14.269 0.066 -3.649 548 HG1 THR 76 HG1 THR 76 15.964 -0.522 -5.841 549 1HG2 THR 76 1HG2 THR 76 16.265 1.521 -3.676 550 2HG2 THR 76 2HG2 THR 76 16.360 0.351 -2.350 551 3HG2 THR 76 3HG2 THR 76 17.320 0.104 -3.828 552 H LYS 77 H LYS 77 16.806 -2.833 -1.910 553 HA LYS 77 HA LYS 77 14.938 -3.705 -0.025 554 1HB LYS 77 1HB LYS 77 17.301 -4.433 -0.671 555 2HB LYS 77 2HB LYS 77 17.920 -2.954 0.099 556 1HG LYS 77 1HG LYS 77 16.785 -3.785 2.157 557 2HG LYS 77 2HG LYS 77 16.475 -5.311 1.279 558 1HD LYS 77 1HD LYS 77 18.973 -5.490 0.879 559 2HD LYS 77 2HD LYS 77 19.204 -4.087 1.938 560 1HE LYS 77 1HE LYS 77 18.052 -6.811 2.702 561 2HE LYS 77 2HE LYS 77 19.614 -6.139 3.192 562 1HZ LYS 77 1HZ LYS 77 18.418 -4.407 4.355 563 2HZ LYS 77 2HZ LYS 77 16.974 -5.081 3.936 564 3HZ LYS 77 3HZ LYS 77 18.013 -5.901 4.917 565 H GLY 78 H GLY 78 14.675 -2.928 2.066 566 1HA GLY 78 1HA GLY 78 15.360 -1.076 3.688 567 2HA GLY 78 2HA GLY 78 14.862 0.061 2.429 568 H THR 79 H THR 79 13.564 0.559 4.586 569 HA THR 79 HA THR 79 11.024 -0.973 4.663 570 HB THR 79 HB THR 79 12.244 0.913 6.683 571 HG1 THR 79 HG1 THR 79 12.541 -0.987 7.803 572 1HG2 THR 79 1HG2 THR 79 10.355 0.113 8.133 573 2HG2 THR 79 2HG2 THR 79 9.788 1.093 6.775 574 3HG2 THR 79 3HG2 THR 79 9.628 -0.676 6.719 575 OH TYR 80 OH TYR 80 11.785 -0.258 -2.726 576 H TYR 80 H TYR 80 9.414 -0.240 3.621 577 HA TYR 80 HA TYR 80 9.265 2.596 2.742 578 1HB TYR 80 1HB TYR 80 7.968 0.029 1.783 579 2HB TYR 80 2HB TYR 80 7.571 1.617 1.173 580 HD1 TYR 80 HD2 TYR 80 10.536 -0.668 1.608 581 HD2 TYR 80 HD1 TYR 80 8.501 2.236 -0.838 582 HE1 TYR 80 HE2 TYR 80 12.064 -1.167 -0.248 583 HE2 TYR 80 HE1 TYR 80 9.857 1.526 -2.774 584 HH TYR 80 HH TYR 80 12.423 -0.939 -2.480 585 H SER 81 H SER 81 8.005 3.801 4.116 586 HA SER 81 HA SER 81 5.789 2.535 5.588 587 1HB SER 81 1HB SER 81 6.485 5.473 5.456 588 2HB SER 81 2HB SER 81 5.627 4.602 6.737 589 HG SER 81 HG SER 81 8.375 4.434 5.998 590 H PHE 82 H PHE 82 3.638 2.537 4.835 591 HA PHE 82 HA PHE 82 2.940 4.477 2.710 592 1HB PHE 82 1HB PHE 82 1.771 2.741 1.453 593 2HB PHE 82 2HB PHE 82 3.466 2.440 1.552 594 HD1 PHE 82 HD2 PHE 82 0.139 1.463 2.917 595 HD2 PHE 82 HD1 PHE 82 4.287 0.274 2.521 596 HE1 PHE 82 HE2 PHE 82 -0.374 -0.729 3.919 597 HE2 PHE 82 HE1 PHE 82 3.719 -1.924 3.471 598 HZ PHE 82 HZ PHE 82 1.410 -2.422 4.222 599 OH TYR 83 OH TYR 83 1.151 10.591 1.892 600 H TYR 83 H TYR 83 0.645 4.518 2.235 601 HA TYR 83 HA TYR 83 -1.194 3.836 4.379 602 1HB TYR 83 1HB TYR 83 -1.778 6.187 4.929 603 2HB TYR 83 2HB TYR 83 -0.131 5.772 5.390 604 HD1 TYR 83 HD2 TYR 83 -2.172 7.685 2.943 605 HD2 TYR 83 HD1 TYR 83 1.801 6.835 4.377 606 HE1 TYR 83 HE2 TYR 83 -1.332 9.749 1.849 607 HE2 TYR 83 HE1 TYR 83 2.645 8.856 3.238 608 HH TYR 83 HH TYR 83 2.103 10.704 1.957 609 H CYS 84 H CYS 84 -3.392 4.560 3.955 610 HA CYS 84 HA CYS 84 -4.005 4.709 1.017 611 1HB CYS 84 1HB CYS 84 -5.112 2.850 2.173 612 2HB CYS 84 2HB CYS 84 -5.564 3.936 3.498 613 H SER 85 H SER 85 -3.963 6.801 0.434 614 HA SER 85 HA SER 85 -4.085 8.920 2.090 615 1HB SER 85 1HB SER 85 -4.786 10.376 0.139 616 2HB SER 85 2HB SER 85 -3.308 9.424 0.018 617 HG SER 85 HG SER 85 -4.539 7.838 -1.145 618 HA PRO 86 HA PRO 86 -8.728 9.931 1.803 619 1HB PRO 86 1HB PRO 86 -10.543 7.930 1.206 620 2HB PRO 86 2HB PRO 86 -9.837 9.063 0.021 621 1HG PRO 86 1HG PRO 86 -8.880 6.273 0.693 622 2HG PRO 86 2HG PRO 86 -9.203 6.952 -0.929 623 1HD PRO 86 1HD PRO 86 -6.694 6.911 -0.005 624 2HD PRO 86 2HD PRO 86 -7.309 8.389 -0.799 625 H HIS 87 H HIS 87 -7.186 7.278 3.365 626 HA HIS 87 HA HIS 87 -9.002 7.629 5.703 627 1HB HIS 87 1HB HIS 87 -7.913 5.016 4.649 628 2HB HIS 87 2HB HIS 87 -8.828 5.214 6.143 629 HD2 HIS 87 HD2 HIS 87 -11.361 6.726 5.458 630 HE1 HIS 87 HE1 HIS 87 -12.026 3.937 2.327 631 HE2 HIS 87 HE2 HIS 87 -13.107 5.675 3.819 632 H GLN 88 H GLN 88 -6.048 8.462 4.681 633 HA GLN 88 HA GLN 88 -4.328 7.170 6.519 634 1HB GLN 88 1HB GLN 88 -2.768 8.873 6.018 635 2HB GLN 88 2HB GLN 88 -3.633 8.436 4.550 636 1HG GLN 88 1HG GLN 88 -5.065 10.534 4.903 637 2HG GLN 88 2HG GLN 88 -3.939 10.984 6.186 638 1HE2 GLN 88 1HE2 GLN 88 -1.210 11.634 3.905 639 2HE2 GLN 88 2HE2 GLN 88 -1.547 11.080 5.536 640 H GLY 89 H GLY 89 -6.362 10.070 6.788 641 1HA GLY 89 1HA GLY 89 -5.642 10.927 9.385 642 2HA GLY 89 2HA GLY 89 -7.215 11.183 8.604 643 H ALA 90 H ALA 90 -7.752 8.272 8.294 644 HA ALA 90 HA ALA 90 -8.816 7.758 10.983 645 1HB ALA 90 1HB ALA 90 -10.075 5.997 9.891 646 2HB ALA 90 2HB ALA 90 -10.219 7.495 8.952 647 3HB ALA 90 3HB ALA 90 -9.143 6.194 8.394 648 H GLY 91 H GLY 91 -5.786 7.282 9.737 649 1HA GLY 91 1HA GLY 91 -4.093 6.075 10.658 650 2HA GLY 91 2HA GLY 91 -5.231 5.114 11.605 651 H MET 92 H MET 92 -5.876 5.292 8.112 652 HA MET 92 HA MET 92 -5.231 2.439 7.962 653 1HB MET 92 1HB MET 92 -7.219 3.375 6.841 654 2HB MET 92 2HB MET 92 -6.153 4.248 5.721 655 1HG MET 92 1HG MET 92 -5.249 2.170 4.862 656 2HG MET 92 2HG MET 92 -5.919 1.255 6.199 657 1HE MET 92 1HE MET 92 -5.939 0.211 3.271 658 2HE MET 92 2HE MET 92 -6.458 -0.597 4.757 659 3HE MET 92 3HE MET 92 -7.533 -0.571 3.350 660 H VAL 93 H VAL 93 -3.034 2.724 8.564 661 HA VAL 93 HA VAL 93 -1.184 3.466 6.348 662 HB VAL 93 HB VAL 93 0.435 4.153 7.938 663 1HG1 VAL 93 1HG1 VAL 93 -1.358 5.817 7.276 664 2HG1 VAL 93 2HG1 VAL 93 -2.209 5.430 8.775 665 3HG1 VAL 93 3HG1 VAL 93 -0.591 6.143 8.837 666 1HG2 VAL 93 1HG2 VAL 93 -0.060 4.239 10.357 667 2HG2 VAL 93 2HG2 VAL 93 -1.599 3.399 10.070 668 3HG2 VAL 93 3HG2 VAL 93 -0.056 2.573 9.752 669 H GLY 94 H GLY 94 0.983 2.277 6.535 670 1HA GLY 94 1HA GLY 94 1.103 -0.224 7.933 671 2HA GLY 94 2HA GLY 94 0.690 -0.466 6.227 672 H LYS 95 H LYS 95 3.100 -1.514 6.909 673 HA LYS 95 HA LYS 95 5.030 0.282 5.603 674 1HB LYS 95 1HB LYS 95 5.719 -0.987 8.287 675 2HB LYS 95 2HB LYS 95 6.736 0.052 7.283 676 1HG LYS 95 1HG LYS 95 5.092 1.939 7.691 677 2HG LYS 95 2HG LYS 95 4.241 0.867 8.820 678 1HD LYS 95 1HD LYS 95 6.383 0.626 10.127 679 2HD LYS 95 2HD LYS 95 7.159 1.750 8.999 680 1HE LYS 95 1HE LYS 95 6.498 2.936 11.019 681 2HE LYS 95 2HE LYS 95 5.551 3.530 9.647 682 1HZ LYS 95 1HZ LYS 95 4.634 1.547 11.622 683 2HZ LYS 95 2HZ LYS 95 4.227 3.143 11.613 684 3HZ LYS 95 3HZ LYS 95 3.736 2.165 10.386 685 H VAL 96 H VAL 96 6.541 -0.861 4.392 686 HA VAL 96 HA VAL 96 6.535 -3.817 4.787 687 HB VAL 96 HB VAL 96 5.168 -3.523 3.000 688 1HG1 VAL 96 1HG1 VAL 96 5.973 -1.196 2.223 689 2HG1 VAL 96 2HG1 VAL 96 7.308 -2.045 1.413 690 3HG1 VAL 96 3HG1 VAL 96 5.633 -2.361 0.936 691 1HG2 VAL 96 1HG2 VAL 96 7.862 -4.314 1.886 692 2HG2 VAL 96 2HG2 VAL 96 6.809 -5.340 2.896 693 3HG2 VAL 96 3HG2 VAL 96 6.255 -4.784 1.301 694 H THR 97 H THR 97 8.378 -4.544 5.299 695 HA THR 97 HA THR 97 10.893 -3.043 4.757 696 HB THR 97 HB THR 97 10.258 -5.282 6.668 697 HG1 THR 97 HG1 THR 97 11.066 -2.573 7.016 698 1HG2 THR 97 1HG2 THR 97 12.562 -4.856 7.541 699 2HG2 THR 97 2HG2 THR 97 12.578 -5.580 5.928 700 3HG2 THR 97 3HG2 THR 97 12.898 -3.842 6.122 701 H VAL 98 H VAL 98 11.527 -3.367 2.712 702 HA VAL 98 HA VAL 98 11.340 -5.957 1.437 703 HB VAL 98 HB VAL 98 12.629 -3.328 0.603 704 1HG1 VAL 98 1HG1 VAL 98 11.743 -5.736 -1.035 705 2HG1 VAL 98 2HG1 VAL 98 12.472 -4.244 -1.667 706 3HG1 VAL 98 3HG1 VAL 98 13.436 -5.330 -0.656 707 1HG2 VAL 98 1HG2 VAL 98 10.544 -3.063 -0.713 708 2HG2 VAL 98 2HG2 VAL 98 9.872 -4.521 0.035 709 3HG2 VAL 98 3HG2 VAL 98 10.185 -3.068 1.007 710 H ASN 99 H ASN 99 12.708 -7.447 2.262 711 HA ASN 99 HA ASN 99 15.592 -6.843 2.646 712 1HB ASN 99 1HB ASN 99 15.650 -7.892 4.799 713 2HB ASN 99 2HB ASN 99 14.495 -6.554 4.849 714 1HD2 ASN 99 1HD2 ASN 99 12.842 -9.307 6.654 715 2HD2 ASN 99 2HD2 ASN 99 14.146 -8.163 6.896 Start of MODEL 12 Raw file had 715 H/Q atoms Start of MODEL 12 1 H LEU 1 H LEU 1 3.178 -9.996 -2.799 2 HA LEU 1 HA LEU 1 2.509 -11.833 -0.900 3 1HB LEU 1 1HB LEU 1 4.256 -10.953 0.492 4 2HB LEU 1 2HB LEU 1 3.539 -9.337 0.505 5 HG LEU 1 HG LEU 1 1.839 -11.621 1.491 6 1HD1 LEU 1 1HD1 LEU 1 2.889 -11.506 3.736 7 2HD1 LEU 1 2HD1 LEU 1 3.998 -12.155 2.516 8 3HD1 LEU 1 3HD1 LEU 1 4.179 -10.479 3.075 9 1HD2 LEU 1 1HD2 LEU 1 2.361 -8.847 2.667 10 2HD2 LEU 1 2HD2 LEU 1 1.097 -9.165 1.479 11 3HD2 LEU 1 3HD2 LEU 1 1.034 -9.953 3.063 12 H GLU 2 H GLU 2 0.373 -11.697 -0.286 13 HA GLU 2 HA GLU 2 -1.226 -9.660 -1.667 14 1HB GLU 2 1HB GLU 2 -1.971 -12.176 -0.128 15 2HB GLU 2 2HB GLU 2 -3.144 -11.041 -0.820 16 1HG GLU 2 1HG GLU 2 -2.121 -11.304 -3.056 17 2HG GLU 2 2HG GLU 2 -0.994 -12.510 -2.410 18 H VAL 3 H VAL 3 -1.798 -7.844 -0.766 19 HA VAL 3 HA VAL 3 -2.077 -7.639 2.204 20 HB VAL 3 HB VAL 3 -1.452 -5.439 0.200 21 1HG1 VAL 3 1HG1 VAL 3 -1.623 -5.510 3.246 22 2HG1 VAL 3 2HG1 VAL 3 -1.008 -4.140 2.308 23 3HG1 VAL 3 3HG1 VAL 3 -2.707 -4.628 2.151 24 1HG2 VAL 3 1HG2 VAL 3 0.764 -5.360 1.207 25 2HG2 VAL 3 2HG2 VAL 3 0.394 -6.773 2.214 26 3HG2 VAL 3 3HG2 VAL 3 0.491 -6.931 0.447 27 H LEU 4 H LEU 4 -4.216 -7.823 2.685 28 HA LEU 4 HA LEU 4 -6.222 -7.055 0.630 29 1HB LEU 4 1HB LEU 4 -6.614 -8.312 3.362 30 2HB LEU 4 2HB LEU 4 -7.825 -8.078 2.113 31 HG LEU 4 HG LEU 4 -5.436 -9.961 2.065 32 1HD1 LEU 4 1HD1 LEU 4 -8.450 -10.399 1.826 33 2HD1 LEU 4 2HD1 LEU 4 -7.205 -11.666 1.852 34 3HD1 LEU 4 3HD1 LEU 4 -7.485 -10.671 3.293 35 1HD2 LEU 4 1HD2 LEU 4 -6.323 -10.687 -0.185 36 2HD2 LEU 4 2HD2 LEU 4 -7.335 -9.225 -0.199 37 3HD2 LEU 4 3HD2 LEU 4 -5.558 -9.096 -0.199 38 H LEU 5 H LEU 5 -7.016 -4.979 0.577 39 HA LEU 5 HA LEU 5 -6.768 -3.280 2.951 40 1HB LEU 5 1HB LEU 5 -8.340 -2.768 0.408 41 2HB LEU 5 2HB LEU 5 -7.968 -1.680 1.742 42 HG LEU 5 HG LEU 5 -6.623 -0.948 0.141 43 1HD1 LEU 5 1HD1 LEU 5 -5.343 -1.251 2.192 44 2HD1 LEU 5 2HD1 LEU 5 -4.768 -2.837 1.607 45 3HD1 LEU 5 3HD1 LEU 5 -4.333 -1.344 0.740 46 1HD2 LEU 5 1HD2 LEU 5 -6.924 -2.720 -1.487 47 2HD2 LEU 5 2HD2 LEU 5 -5.321 -2.010 -1.426 48 3HD2 LEU 5 3HD2 LEU 5 -5.591 -3.627 -0.707 49 H GLY 6 H GLY 6 -8.023 -3.906 4.598 50 1HA GLY 6 1HA GLY 6 -9.972 -3.775 5.748 51 2HA GLY 6 2HA GLY 6 -10.967 -4.055 4.309 52 H SER 7 H SER 7 -10.602 -5.354 7.163 53 HA SER 7 HA SER 7 -9.862 -8.120 6.590 54 1HB SER 7 1HB SER 7 -10.549 -8.270 9.053 55 2HB SER 7 2HB SER 7 -9.254 -7.150 8.586 56 HG SER 7 HG SER 7 -11.966 -6.459 9.107 57 H GLY 8 H GLY 8 -11.746 -7.425 4.905 58 1HA GLY 8 1HA GLY 8 -13.667 -8.252 3.891 59 2HA GLY 8 2HA GLY 8 -13.884 -9.342 5.267 60 H ASP 9 H ASP 9 -14.267 -7.748 7.371 61 HA ASP 9 HA ASP 9 -17.012 -6.950 7.082 62 1HB ASP 9 1HB ASP 9 -16.959 -6.681 9.443 63 2HB ASP 9 2HB ASP 9 -15.948 -8.084 9.085 64 H GLY 10 H GLY 10 -15.404 -5.264 5.428 65 1HA GLY 10 1HA GLY 10 -15.227 -3.073 4.798 66 2HA GLY 10 2HA GLY 10 -16.549 -2.744 5.913 67 H SER 11 H SER 11 -13.957 -3.951 7.740 68 HA SER 11 HA SER 11 -13.559 -1.425 8.983 69 1HB SER 11 1HB SER 11 -13.276 -3.563 10.157 70 2HB SER 11 2HB SER 11 -11.825 -3.907 9.184 71 HG SER 11 HG SER 11 -11.349 -2.941 11.229 72 H LEU 12 H LEU 12 -11.825 0.002 8.975 73 HA LEU 12 HA LEU 12 -10.374 0.209 6.422 74 1HB LEU 12 1HB LEU 12 -10.590 2.029 8.859 75 2HB LEU 12 2HB LEU 12 -9.823 2.443 7.328 76 HG LEU 12 HG LEU 12 -12.790 1.803 7.690 77 1HD1 LEU 12 1HD1 LEU 12 -13.080 4.223 7.209 78 2HD1 LEU 12 2HD1 LEU 12 -12.166 3.940 8.700 79 3HD1 LEU 12 3HD1 LEU 12 -11.312 4.425 7.225 80 1HD2 LEU 12 1HD2 LEU 12 -12.937 2.719 5.336 81 2HD2 LEU 12 2HD2 LEU 12 -11.166 2.565 5.247 82 3HD2 LEU 12 3HD2 LEU 12 -12.186 1.130 5.476 83 H VAL 13 H VAL 13 -9.146 -1.798 6.965 84 HA VAL 13 HA VAL 13 -6.643 -1.031 8.401 85 HB VAL 13 HB VAL 13 -6.545 -3.334 9.341 86 1HG1 VAL 13 1HG1 VAL 13 -8.036 -2.929 11.216 87 2HG1 VAL 13 2HG1 VAL 13 -7.293 -1.402 10.710 88 3HG1 VAL 13 3HG1 VAL 13 -8.979 -1.759 10.278 89 1HG2 VAL 13 1HG2 VAL 13 -8.161 -4.495 7.849 90 2HG2 VAL 13 2HG2 VAL 13 -8.592 -4.675 9.552 91 3HG2 VAL 13 3HG2 VAL 13 -9.487 -3.535 8.536 92 H PHE 14 H PHE 14 -4.752 -1.818 7.524 93 HA PHE 14 HA PHE 14 -4.894 -3.106 4.834 94 1HB PHE 14 1HB PHE 14 -2.696 -1.830 6.520 95 2HB PHE 14 2HB PHE 14 -2.323 -2.903 5.190 96 HD1 PHE 14 HD1 PHE 14 -2.504 -2.252 2.856 97 HD2 PHE 14 HD2 PHE 14 -3.490 0.460 6.071 98 HE1 PHE 14 HE1 PHE 14 -2.037 -0.362 1.406 99 HE2 PHE 14 HE2 PHE 14 -3.195 2.360 4.505 100 HZ PHE 14 HZ PHE 14 -2.466 1.968 2.176 101 H VAL 15 H VAL 15 -4.814 -5.386 4.826 102 HA VAL 15 HA VAL 15 -3.742 -6.715 7.288 103 HB VAL 15 HB VAL 15 -5.736 -7.788 5.307 104 1HG1 VAL 15 1HG1 VAL 15 -6.118 -9.474 7.062 105 2HG1 VAL 15 2HG1 VAL 15 -4.433 -9.514 6.528 106 3HG1 VAL 15 3HG1 VAL 15 -4.856 -8.737 8.069 107 1HG2 VAL 15 1HG2 VAL 15 -7.390 -7.432 7.119 108 2HG2 VAL 15 2HG2 VAL 15 -6.184 -6.483 8.016 109 3HG2 VAL 15 3HG2 VAL 15 -6.789 -5.921 6.439 110 HA PRO 16 HA PRO 16 -1.742 -7.122 7.873 111 1HB PRO 16 1HB PRO 16 0.934 -7.140 7.696 112 2HB PRO 16 2HB PRO 16 -0.003 -8.653 7.683 113 1HG PRO 16 1HG PRO 16 1.070 -7.116 5.287 114 2HG PRO 16 2HG PRO 16 1.273 -8.857 5.631 115 1HD PRO 16 1HD PRO 16 -0.684 -7.884 3.980 116 2HD PRO 16 2HD PRO 16 -0.968 -9.310 5.007 117 H SER 17 H SER 17 -0.643 -5.229 8.811 118 HA SER 17 HA SER 17 -0.655 -2.841 7.075 119 1HB SER 17 1HB SER 17 -0.505 -1.758 9.365 120 2HB SER 17 2HB SER 17 -1.946 -2.762 9.119 121 HG SER 17 HG SER 17 -0.097 -3.060 10.999 122 H GLU 18 H GLU 18 1.286 -4.216 9.674 123 HA GLU 18 HA GLU 18 3.832 -3.112 8.567 124 1HB GLU 18 1HB GLU 18 2.982 -4.178 11.293 125 2HB GLU 18 2HB GLU 18 4.678 -4.018 10.828 126 1HG GLU 18 1HG GLU 18 4.039 -2.027 12.035 127 2HG GLU 18 2HG GLU 18 4.401 -1.646 10.348 128 H PHE 19 H PHE 19 5.195 -4.463 7.487 129 HA PHE 19 HA PHE 19 5.404 -7.253 8.272 130 1HB PHE 19 1HB PHE 19 4.579 -8.322 6.304 131 2HB PHE 19 2HB PHE 19 3.310 -7.316 6.930 132 HD1 PHE 19 HD2 PHE 19 2.917 -4.979 5.830 133 HD2 PHE 19 HD1 PHE 19 5.145 -8.201 4.005 134 HE1 PHE 19 HE2 PHE 19 2.294 -4.159 3.583 135 HE2 PHE 19 HE1 PHE 19 4.587 -7.307 1.767 136 HZ PHE 19 HZ PHE 19 3.178 -5.277 1.552 137 H SER 20 H SER 20 6.653 -8.452 6.282 138 HA SER 20 HA SER 20 8.813 -6.730 5.299 139 1HB SER 20 1HB SER 20 9.193 -9.425 6.700 140 2HB SER 20 2HB SER 20 10.469 -8.416 5.989 141 HG SER 20 HG SER 20 8.763 -7.591 8.115 142 H VAL 21 H VAL 21 9.635 -7.559 3.227 143 HA VAL 21 HA VAL 21 8.382 -10.005 2.246 144 HB VAL 21 HB VAL 21 6.931 -7.863 1.912 145 1HG1 VAL 21 1HG1 VAL 21 8.727 -6.393 1.017 146 2HG1 VAL 21 2HG1 VAL 21 8.836 -7.432 -0.427 147 3HG1 VAL 21 3HG1 VAL 21 7.340 -6.561 -0.070 148 1HG2 VAL 21 1HG2 VAL 21 7.622 -9.690 -0.352 149 2HG2 VAL 21 2HG2 VAL 21 6.465 -10.011 0.956 150 3HG2 VAL 21 3HG2 VAL 21 6.131 -8.726 -0.232 151 HA PRO 22 HA PRO 22 12.508 -10.252 0.603 152 1HB PRO 22 1HB PRO 22 11.347 -11.793 -1.708 153 2HB PRO 22 2HB PRO 22 12.732 -12.218 -0.664 154 1HG PRO 22 1HG PRO 22 10.329 -13.430 -0.303 155 2HG PRO 22 2HG PRO 22 11.259 -12.865 1.119 156 1HD PRO 22 1HD PRO 22 8.975 -11.463 -0.287 157 2HD PRO 22 2HD PRO 22 9.205 -11.789 1.456 158 H SER 23 H SER 23 13.808 -9.133 -0.866 159 HA SER 23 HA SER 23 12.773 -6.994 -2.391 160 1HB SER 23 1HB SER 23 15.398 -8.494 -2.358 161 2HB SER 23 2HB SER 23 15.109 -7.289 -3.607 162 HG SER 23 HG SER 23 14.971 -5.717 -2.196 163 H GLY 24 H GLY 24 11.846 -6.892 -4.295 164 1HA GLY 24 1HA GLY 24 11.515 -7.348 -6.568 165 2HA GLY 24 2HA GLY 24 12.359 -8.893 -6.427 166 H GLU 25 H GLU 25 10.237 -8.876 -3.794 167 HA GLU 25 HA GLU 25 8.460 -10.671 -5.155 168 1HB GLU 25 1HB GLU 25 9.079 -10.886 -2.772 169 2HB GLU 25 2HB GLU 25 8.246 -9.360 -2.432 170 1HG GLU 25 1HG GLU 25 6.891 -11.361 -1.795 171 2HG GLU 25 2HG GLU 25 6.079 -10.382 -3.007 172 H LYS 26 H LYS 26 6.226 -10.390 -5.562 173 HA LYS 26 HA LYS 26 5.478 -7.682 -6.466 174 1HB LYS 26 1HB LYS 26 4.386 -10.492 -6.912 175 2HB LYS 26 2HB LYS 26 3.562 -9.027 -7.435 176 1HG LYS 26 1HG LYS 26 4.756 -9.922 -9.298 177 2HG LYS 26 2HG LYS 26 5.491 -8.381 -8.830 178 1HD LYS 26 1HD LYS 26 7.360 -9.551 -7.766 179 2HD LYS 26 2HD LYS 26 6.582 -11.125 -8.023 180 1HE LYS 26 1HE LYS 26 6.819 -10.812 -10.471 181 2HE LYS 26 2HE LYS 26 7.502 -9.194 -10.202 182 1HZ LYS 26 1HZ LYS 26 8.681 -11.726 -9.302 183 2HZ LYS 26 2HZ LYS 26 9.218 -10.783 -10.543 184 3HZ LYS 26 3HZ LYS 26 9.289 -10.227 -8.990 185 H ILE 27 H ILE 27 4.660 -6.467 -4.775 186 HA ILE 27 HA ILE 27 2.982 -7.728 -2.734 187 HB ILE 27 HB ILE 27 3.398 -4.775 -3.206 188 1HG1 ILE 27 1HG1 ILE 27 5.027 -6.668 -1.441 189 2HG1 ILE 27 2HG1 ILE 27 5.613 -5.892 -2.921 190 1HG2 ILE 27 1HG2 ILE 27 2.609 -6.382 -0.736 191 2HG2 ILE 27 2HG2 ILE 27 2.718 -4.614 -0.834 192 3HG2 ILE 27 3HG2 ILE 27 1.483 -5.458 -1.750 193 1HD1 ILE 27 1HD1 ILE 27 6.453 -4.646 -1.088 194 2HD1 ILE 27 2HD1 ILE 27 5.220 -3.653 -1.893 195 3HD1 ILE 27 3HD1 ILE 27 4.857 -4.464 -0.353 196 H VAL 28 H VAL 28 0.790 -7.841 -2.894 197 HA VAL 28 HA VAL 28 -0.613 -6.528 -5.207 198 HB VAL 28 HB VAL 28 -1.136 -9.227 -3.906 199 1HG1 VAL 28 1HG1 VAL 28 -2.496 -7.852 -6.265 200 2HG1 VAL 28 2HG1 VAL 28 -2.780 -9.522 -5.738 201 3HG1 VAL 28 3HG1 VAL 28 -3.236 -8.179 -4.686 202 1HG2 VAL 28 1HG2 VAL 28 -0.483 -10.153 -6.103 203 2HG2 VAL 28 2HG2 VAL 28 -0.021 -8.529 -6.650 204 3HG2 VAL 28 3HG2 VAL 28 0.862 -9.316 -5.325 205 H PHE 29 H PHE 29 -1.373 -4.704 -4.148 206 HA PHE 29 HA PHE 29 -2.727 -4.940 -1.541 207 1HB PHE 29 1HB PHE 29 -2.336 -2.646 -3.443 208 2HB PHE 29 2HB PHE 29 -3.148 -2.526 -1.893 209 HD1 PHE 29 HD2 PHE 29 -1.901 -2.772 0.237 210 HD2 PHE 29 HD1 PHE 29 0.090 -2.749 -3.583 211 HE1 PHE 29 HE2 PHE 29 0.243 -2.155 1.355 212 HE2 PHE 29 HE1 PHE 29 2.240 -2.220 -2.445 213 HZ PHE 29 HZ PHE 29 2.309 -1.872 -0.007 214 H LYS 30 H LYS 30 -4.564 -6.209 -1.842 215 HA LYS 30 HA LYS 30 -6.334 -5.644 -4.161 216 1HB LYS 30 1HB LYS 30 -5.536 -7.948 -3.736 217 2HB LYS 30 2HB LYS 30 -6.401 -7.934 -2.198 218 1HG LYS 30 1HG LYS 30 -8.558 -7.735 -3.320 219 2HG LYS 30 2HG LYS 30 -7.771 -7.344 -4.846 220 1HD LYS 30 1HD LYS 30 -8.580 -9.606 -4.961 221 2HD LYS 30 2HD LYS 30 -6.816 -9.608 -5.001 222 1HE LYS 30 1HE LYS 30 -7.643 -11.416 -3.576 223 2HE LYS 30 2HE LYS 30 -6.752 -10.248 -2.599 224 1HZ LYS 30 1HZ LYS 30 -8.862 -9.318 -1.926 225 2HZ LYS 30 2HZ LYS 30 -9.683 -10.394 -2.868 226 3HZ LYS 30 3HZ LYS 30 -8.808 -10.926 -1.578 227 H ASN 31 H ASN 31 -8.230 -4.620 -3.982 228 HA ASN 31 HA ASN 31 -9.173 -3.544 -1.458 229 1HB ASN 31 1HB ASN 31 -10.157 -3.589 -4.328 230 2HB ASN 31 2HB ASN 31 -11.303 -3.254 -3.030 231 1HD2 ASN 31 1HD2 ASN 31 -10.573 0.107 -3.669 232 2HD2 ASN 31 2HD2 ASN 31 -11.611 -1.262 -4.081 233 H ASN 32 H ASN 32 -9.845 -4.991 0.096 234 HA ASN 32 HA ASN 32 -11.469 -7.319 -0.736 235 1HB ASN 32 1HB ASN 32 -9.623 -7.421 0.955 236 2HB ASN 32 2HB ASN 32 -10.616 -6.442 2.033 237 1HD2 ASN 32 1HD2 ASN 32 -11.460 -9.653 3.320 238 2HD2 ASN 32 2HD2 ASN 32 -10.355 -8.279 3.486 239 H ALA 33 H ALA 33 -11.655 -4.585 1.533 240 HA ALA 33 HA ALA 33 -14.366 -3.851 0.763 241 1HB ALA 33 1HB ALA 33 -14.824 -5.878 2.179 242 2HB ALA 33 2HB ALA 33 -13.947 -5.107 3.516 243 3HB ALA 33 3HB ALA 33 -15.457 -4.396 2.897 244 H GLY 34 H GLY 34 -15.169 -2.118 2.495 245 1HA GLY 34 1HA GLY 34 -14.781 -0.187 3.674 246 2HA GLY 34 2HA GLY 34 -13.180 -0.799 4.106 247 H PHE 35 H PHE 35 -13.841 -0.691 0.711 248 HA PHE 35 HA PHE 35 -11.807 1.297 0.160 249 1HB PHE 35 1HB PHE 35 -12.371 0.733 -2.191 250 2HB PHE 35 2HB PHE 35 -12.083 -0.624 -1.177 251 HD1 PHE 35 HD1 PHE 35 -14.858 1.478 -2.538 252 HD2 PHE 35 HD2 PHE 35 -13.571 -2.406 -1.151 253 HE1 PHE 35 HE1 PHE 35 -17.089 0.519 -3.106 254 HE2 PHE 35 HE2 PHE 35 -15.833 -3.320 -1.598 255 HZ PHE 35 HZ PHE 35 -17.575 -1.881 -2.576 256 HA PRO 36 HA PRO 36 -12.165 2.704 -2.249 257 1HB PRO 36 1HB PRO 36 -11.357 5.217 -2.640 258 2HB PRO 36 2HB PRO 36 -12.948 4.636 -3.155 259 1HG PRO 36 1HG PRO 36 -12.330 6.080 -0.559 260 2HG PRO 36 2HG PRO 36 -13.587 6.498 -1.768 261 1HD PRO 36 1HD PRO 36 -14.198 4.971 0.395 262 2HD PRO 36 2HD PRO 36 -14.885 4.567 -1.202 263 H HIS 37 H HIS 37 -9.933 2.641 -2.596 264 HA HIS 37 HA HIS 37 -8.192 3.522 -0.394 265 1HB HIS 37 1HB HIS 37 -8.309 0.688 -1.454 266 2HB HIS 37 2HB HIS 37 -7.115 1.200 -0.299 267 HD2 HIS 37 HD2 HIS 37 -9.838 -0.961 -0.389 268 HE1 HIS 37 HE1 HIS 37 -10.234 0.646 3.517 269 HE2 HIS 37 HE2 HIS 37 -10.810 -1.316 1.989 270 H ASN 38 H ASN 38 -5.959 3.518 -0.873 271 HA ASN 38 HA ASN 38 -4.934 2.819 -3.425 272 1HB ASN 38 1HB ASN 38 -4.179 5.008 -4.117 273 2HB ASN 38 2HB ASN 38 -5.927 4.976 -4.034 274 1HD2 ASN 38 1HD2 ASN 38 -5.361 8.258 -2.752 275 2HD2 ASN 38 2HD2 ASN 38 -5.575 7.336 -4.198 276 H VAL 39 H VAL 39 -2.418 3.672 -3.188 277 HA VAL 39 HA VAL 39 -1.691 3.519 -0.313 278 HB VAL 39 HB VAL 39 -0.527 1.724 -2.449 279 1HG1 VAL 39 1HG1 VAL 39 -0.075 1.866 0.566 280 2HG1 VAL 39 2HG1 VAL 39 0.653 0.681 -0.536 281 3HG1 VAL 39 3HG1 VAL 39 1.085 2.389 -0.675 282 1HG2 VAL 39 1HG2 VAL 39 -1.553 -0.115 -1.006 283 2HG2 VAL 39 2HG2 VAL 39 -2.488 1.138 -0.185 284 3HG2 VAL 39 3HG2 VAL 39 -2.726 0.838 -1.917 285 H VAL 40 H VAL 40 -0.417 5.131 0.108 286 HA VAL 40 HA VAL 40 1.365 6.282 -1.984 287 HB VAL 40 HB VAL 40 -0.052 7.572 0.388 288 1HG1 VAL 40 1HG1 VAL 40 2.160 8.607 0.105 289 2HG1 VAL 40 2HG1 VAL 40 1.895 8.768 -1.641 290 3HG1 VAL 40 3HG1 VAL 40 0.914 9.705 -0.507 291 1HG2 VAL 40 1HG2 VAL 40 -1.212 8.900 -1.308 292 2HG2 VAL 40 2HG2 VAL 40 -0.369 8.033 -2.606 293 3HG2 VAL 40 3HG2 VAL 40 -1.539 7.182 -1.572 294 H PHE 41 H PHE 41 3.482 6.217 -1.461 295 HA PHE 41 HA PHE 41 4.299 5.038 1.125 296 1HB PHE 41 1HB PHE 41 5.807 5.499 -1.461 297 2HB PHE 41 2HB PHE 41 6.444 4.692 -0.034 298 HD1 PHE 41 HD2 PHE 41 4.062 4.406 -2.798 299 HD2 PHE 41 HD1 PHE 41 5.727 2.450 0.627 300 HE1 PHE 41 HE2 PHE 41 2.754 2.347 -3.339 301 HE2 PHE 41 HE1 PHE 41 4.646 0.311 -0.051 302 HZ PHE 41 HZ PHE 41 3.104 0.280 -2.004 303 H ASP 42 H ASP 42 5.314 6.275 2.624 304 HA ASP 42 HA ASP 42 5.310 9.137 2.387 305 1HB ASP 42 1HB ASP 42 5.013 8.038 4.539 306 2HB ASP 42 2HB ASP 42 6.586 7.234 4.380 307 H GLU 43 H GLU 43 6.673 10.121 0.971 308 HA GLU 43 HA GLU 43 9.034 9.194 -0.103 309 1HB GLU 43 1HB GLU 43 9.560 11.643 -0.529 310 2HB GLU 43 2HB GLU 43 8.067 10.971 -1.178 311 1HG GLU 43 1HG GLU 43 7.681 13.206 -0.349 312 2HG GLU 43 2HG GLU 43 6.727 12.066 0.585 313 H ASP 44 H ASP 44 8.673 10.650 3.102 314 HA ASP 44 HA ASP 44 11.520 11.084 3.468 315 1HB ASP 44 1HB ASP 44 9.830 12.415 4.647 316 2HB ASP 44 2HB ASP 44 9.218 10.958 5.455 317 H GLU 45 H GLU 45 9.436 8.280 3.771 318 HA GLU 45 HA GLU 45 11.623 6.754 5.126 319 1HB GLU 45 1HB GLU 45 8.644 6.567 5.649 320 2HB GLU 45 2HB GLU 45 9.903 5.510 6.323 321 1HG GLU 45 1HG GLU 45 10.952 7.546 7.383 322 2HG GLU 45 2HG GLU 45 9.557 8.495 6.846 323 H ILE 46 H ILE 46 12.042 6.542 2.730 324 HA ILE 46 HA ILE 46 11.288 3.871 1.924 325 HB ILE 46 HB ILE 46 10.913 4.588 -0.444 326 1HG1 ILE 46 1HG1 ILE 46 10.434 7.362 0.687 327 2HG1 ILE 46 2HG1 ILE 46 11.858 6.890 -0.250 328 1HG2 ILE 46 1HG2 ILE 46 8.723 5.631 1.368 329 2HG2 ILE 46 2HG2 ILE 46 8.598 4.968 -0.269 330 3HG2 ILE 46 3HG2 ILE 46 9.049 3.915 1.067 331 1HD1 ILE 46 1HD1 ILE 46 10.382 7.939 -1.777 332 2HD1 ILE 46 2HD1 ILE 46 10.324 6.204 -2.137 333 3HD1 ILE 46 3HD1 ILE 46 8.991 6.978 -1.245 334 HA PRO 47 HA PRO 47 15.594 3.982 0.984 335 1HB PRO 47 1HB PRO 47 15.040 2.805 -1.734 336 2HB PRO 47 2HB PRO 47 16.190 2.254 -0.487 337 1HG PRO 47 1HG PRO 47 13.847 0.957 -0.855 338 2HG PRO 47 2HG PRO 47 14.428 1.302 0.798 339 1HD PRO 47 1HD PRO 47 12.335 2.847 -0.741 340 2HD PRO 47 2HD PRO 47 12.331 2.263 0.947 341 H ALA 48 H ALA 48 16.511 5.946 0.593 342 HA ALA 48 HA ALA 48 15.585 7.941 -1.121 343 1HB ALA 48 1HB ALA 48 18.416 7.476 -0.099 344 2HB ALA 48 2HB ALA 48 17.789 8.988 -0.794 345 3HB ALA 48 3HB ALA 48 17.119 8.369 0.731 346 H GLY 49 H GLY 49 15.296 7.674 -3.236 347 1HA GLY 49 1HA GLY 49 16.792 7.816 -5.349 348 2HA GLY 49 2HA GLY 49 17.235 6.151 -4.920 349 H VAL 50 H VAL 50 14.546 5.518 -3.767 350 HA VAL 50 HA VAL 50 13.298 4.730 -6.287 351 HB VAL 50 HB VAL 50 12.371 4.382 -3.407 352 1HG1 VAL 50 1HG1 VAL 50 10.934 2.596 -4.411 353 2HG1 VAL 50 2HG1 VAL 50 10.491 4.203 -5.009 354 3HG1 VAL 50 3HG1 VAL 50 11.442 3.106 -6.029 355 1HG2 VAL 50 1HG2 VAL 50 13.215 2.099 -3.642 356 2HG2 VAL 50 2HG2 VAL 50 13.748 2.424 -5.306 357 3HG2 VAL 50 3HG2 VAL 50 14.544 3.228 -3.941 358 H ASP 51 H ASP 51 12.321 6.319 -7.422 359 HA ASP 51 HA ASP 51 11.334 8.747 -6.425 360 1HB ASP 51 1HB ASP 51 11.878 8.416 -8.774 361 2HB ASP 51 2HB ASP 51 10.589 7.210 -8.939 362 H ALA 52 H ALA 52 9.807 8.890 -4.890 363 HA ALA 52 HA ALA 52 7.833 7.102 -4.168 364 1HB ALA 52 1HB ALA 52 8.470 9.043 -2.822 365 2HB ALA 52 2HB ALA 52 7.631 10.119 -3.966 366 3HB ALA 52 3HB ALA 52 6.715 8.903 -3.037 367 H VAL 53 H VAL 53 7.677 9.620 -6.716 368 HA VAL 53 HA VAL 53 4.893 9.486 -7.195 369 HB VAL 53 HB VAL 53 7.123 10.136 -9.162 370 1HG1 VAL 53 1HG1 VAL 53 5.030 9.815 -10.370 371 2HG1 VAL 53 2HG1 VAL 53 4.156 10.822 -9.193 372 3HG1 VAL 53 3HG1 VAL 53 5.376 11.540 -10.264 373 1HG2 VAL 53 1HG2 VAL 53 7.264 11.578 -7.145 374 2HG2 VAL 53 2HG2 VAL 53 6.656 12.498 -8.520 375 3HG2 VAL 53 3HG2 VAL 53 5.527 11.930 -7.274 376 H LYS 54 H LYS 54 7.441 7.196 -8.108 377 HA LYS 54 HA LYS 54 5.736 5.920 -10.151 378 1HB LYS 54 1HB LYS 54 8.439 5.202 -8.962 379 2HB LYS 54 2HB LYS 54 7.622 4.243 -10.196 380 1HG LYS 54 1HG LYS 54 8.246 7.196 -10.592 381 2HG LYS 54 2HG LYS 54 9.386 5.909 -11.004 382 1HD LYS 54 1HD LYS 54 7.702 4.884 -12.520 383 2HD LYS 54 2HD LYS 54 6.578 6.208 -12.183 384 1HE LYS 54 1HE LYS 54 9.345 6.528 -13.430 385 2HE LYS 54 2HE LYS 54 7.806 6.527 -14.306 386 1HZ LYS 54 1HZ LYS 54 8.605 8.477 -12.259 387 2HZ LYS 54 2HZ LYS 54 8.528 8.734 -13.884 388 3HZ LYS 54 3HZ LYS 54 7.149 8.446 -13.033 389 H ILE 55 H ILE 55 6.787 5.260 -6.806 390 HA ILE 55 HA ILE 55 5.359 2.700 -6.730 391 HB ILE 55 HB ILE 55 5.861 2.666 -4.388 392 1HG1 ILE 55 1HG1 ILE 55 7.650 5.065 -5.015 393 2HG1 ILE 55 2HG1 ILE 55 6.182 5.131 -4.004 394 1HG2 ILE 55 1HG2 ILE 55 7.200 1.562 -6.190 395 2HG2 ILE 55 2HG2 ILE 55 8.269 2.983 -6.213 396 3HG2 ILE 55 3HG2 ILE 55 8.132 1.968 -4.758 397 1HD1 ILE 55 1HD1 ILE 55 7.950 4.866 -2.484 398 2HD1 ILE 55 2HD1 ILE 55 7.211 3.243 -2.663 399 3HD1 ILE 55 3HD1 ILE 55 8.738 3.631 -3.484 400 H SER 56 H SER 56 4.757 5.961 -5.358 401 HA SER 56 HA SER 56 2.368 5.185 -3.973 402 1HB SER 56 1HB SER 56 3.458 7.890 -4.791 403 2HB SER 56 2HB SER 56 2.142 7.638 -3.654 404 HG SER 56 HG SER 56 4.358 7.860 -2.731 405 H MET 57 H MET 57 0.342 5.016 -4.655 406 HA MET 57 HA MET 57 -0.439 5.566 -7.368 407 1HB MET 57 1HB MET 57 -1.954 5.128 -4.758 408 2HB MET 57 2HB MET 57 -2.794 5.366 -6.291 409 1HG MET 57 1HG MET 57 -0.757 3.159 -5.756 410 2HG MET 57 2HG MET 57 -2.504 2.951 -5.643 411 1HE MET 57 1HE MET 57 -3.679 3.202 -9.345 412 2HE MET 57 2HE MET 57 -3.600 4.585 -8.239 413 3HE MET 57 3HE MET 57 -4.166 3.001 -7.646 414 HA PRO 58 HA PRO 58 -0.667 10.008 -6.697 415 1HB PRO 58 1HB PRO 58 -2.481 10.758 -8.680 416 2HB PRO 58 2HB PRO 58 -0.737 10.466 -8.895 417 1HG PRO 58 1HG PRO 58 -3.027 8.574 -9.400 418 2HG PRO 58 2HG PRO 58 -1.609 8.859 -10.447 419 1HD PRO 58 1HD PRO 58 -1.791 6.710 -8.792 420 2HD PRO 58 2HD PRO 58 -0.221 7.543 -9.014 421 H GLU 59 H GLU 59 -1.665 10.666 -4.976 422 HA GLU 59 HA GLU 59 -3.553 9.729 -3.451 423 1HB GLU 59 1HB GLU 59 -3.352 12.743 -3.905 424 2HB GLU 59 2HB GLU 59 -3.900 11.900 -2.456 425 1HG GLU 59 1HG GLU 59 -1.761 12.384 -1.810 426 2HG GLU 59 2HG GLU 59 -1.487 10.792 -2.517 427 H GLU 60 H GLU 60 -4.485 11.941 -6.034 428 HA GLU 60 HA GLU 60 -7.228 12.125 -5.391 429 1HB GLU 60 1HB GLU 60 -5.876 13.644 -6.849 430 2HB GLU 60 2HB GLU 60 -5.897 12.421 -8.127 431 1HG GLU 60 1HG GLU 60 -8.389 13.679 -6.874 432 2HG GLU 60 2HG GLU 60 -7.577 14.325 -8.306 433 H GLU 61 H GLU 61 -5.463 9.745 -7.352 434 HA GLU 61 HA GLU 61 -7.928 8.506 -8.331 435 1HB GLU 61 1HB GLU 61 -5.000 7.744 -8.580 436 2HB GLU 61 2HB GLU 61 -6.346 6.926 -9.367 437 1HG GLU 61 1HG GLU 61 -6.979 9.014 -10.555 438 2HG GLU 61 2HG GLU 61 -5.637 9.863 -9.782 439 H LEU 62 H LEU 62 -8.715 6.511 -7.657 440 HA LEU 62 HA LEU 62 -7.352 4.995 -5.618 441 1HB LEU 62 1HB LEU 62 -9.372 5.289 -3.998 442 2HB LEU 62 2HB LEU 62 -7.958 6.326 -3.986 443 HG LEU 62 HG LEU 62 -9.200 8.058 -5.330 444 1HD1 LEU 62 1HD1 LEU 62 -11.580 6.231 -4.776 445 2HD1 LEU 62 2HD1 LEU 62 -11.684 7.924 -5.299 446 3HD1 LEU 62 3HD1 LEU 62 -10.965 6.717 -6.369 447 1HD2 LEU 62 1HD2 LEU 62 -8.836 8.118 -2.946 448 2HD2 LEU 62 2HD2 LEU 62 -10.380 8.875 -3.402 449 3HD2 LEU 62 3HD2 LEU 62 -10.365 7.251 -2.673 450 H LEU 63 H LEU 63 -8.215 3.046 -5.146 451 HA LEU 63 HA LEU 63 -9.837 1.777 -7.200 452 1HB LEU 63 1HB LEU 63 -8.742 0.729 -4.565 453 2HB LEU 63 2HB LEU 63 -9.329 -0.228 -5.927 454 HG LEU 63 HG LEU 63 -6.815 1.506 -5.843 455 1HD1 LEU 63 1HD1 LEU 63 -5.695 -0.716 -5.888 456 2HD1 LEU 63 2HD1 LEU 63 -6.708 -0.504 -4.447 457 3HD1 LEU 63 3HD1 LEU 63 -7.284 -1.501 -5.801 458 1HD2 LEU 63 1HD2 LEU 63 -7.774 -0.393 -8.026 459 2HD2 LEU 63 2HD2 LEU 63 -7.702 1.379 -8.169 460 3HD2 LEU 63 3HD2 LEU 63 -6.215 0.428 -7.974 461 H ASN 64 H ASN 64 -12.041 2.325 -7.006 462 HA ASN 64 HA ASN 64 -13.272 2.404 -4.282 463 1HB ASN 64 1HB ASN 64 -13.231 4.551 -5.592 464 2HB ASN 64 2HB ASN 64 -14.241 3.766 -6.813 465 1HD2 ASN 64 1HD2 ASN 64 -16.963 5.139 -4.959 466 2HD2 ASN 64 2HD2 ASN 64 -16.032 5.218 -6.444 467 H ALA 65 H ALA 65 -12.910 -0.123 -5.490 468 HA ALA 65 HA ALA 65 -15.666 -1.043 -5.470 469 1HB ALA 65 1HB ALA 65 -15.300 -0.446 -7.890 470 2HB ALA 65 2HB ALA 65 -13.889 -1.522 -7.916 471 3HB ALA 65 3HB ALA 65 -15.500 -2.188 -7.674 472 HA PRO 66 HA PRO 66 -13.298 -4.330 -3.599 473 1HB PRO 66 1HB PRO 66 -14.787 -6.576 -3.921 474 2HB PRO 66 2HB PRO 66 -15.336 -5.220 -2.907 475 1HG PRO 66 1HG PRO 66 -16.084 -5.795 -5.788 476 2HG PRO 66 2HG PRO 66 -17.187 -5.431 -4.429 477 1HD PRO 66 1HD PRO 66 -16.372 -3.532 -6.199 478 2HD PRO 66 2HD PRO 66 -16.616 -3.136 -4.483 479 H GLY 67 H GLY 67 -12.115 -6.382 -4.145 480 1HA GLY 67 1HA GLY 67 -11.120 -7.918 -5.545 481 2HA GLY 67 2HA GLY 67 -12.119 -7.373 -6.890 482 H GLU 68 H GLU 68 -11.339 -4.627 -6.965 483 HA GLU 68 HA GLU 68 -9.263 -4.545 -8.725 484 1HB GLU 68 1HB GLU 68 -9.837 -2.444 -6.595 485 2HB GLU 68 2HB GLU 68 -8.946 -2.206 -8.112 486 1HG GLU 68 1HG GLU 68 -11.000 -2.819 -9.395 487 2HG GLU 68 2HG GLU 68 -11.902 -2.901 -7.870 488 H THR 69 H THR 69 -7.035 -4.703 -8.737 489 HA THR 69 HA THR 69 -5.614 -4.886 -6.125 490 HB THR 69 HB THR 69 -4.013 -6.302 -7.529 491 HG1 THR 69 HG1 THR 69 -4.914 -5.508 -9.523 492 1HG2 THR 69 1HG2 THR 69 -6.825 -7.407 -7.258 493 2HG2 THR 69 2HG2 THR 69 -5.322 -8.339 -7.399 494 3HG2 THR 69 3HG2 THR 69 -5.598 -7.322 -5.969 495 OH TYR 70 OH TYR 70 2.506 0.777 -5.282 496 H TYR 70 H TYR 70 -4.091 -3.444 -5.745 497 HA TYR 70 HA TYR 70 -2.760 -1.972 -7.997 498 1HB TYR 70 1HB TYR 70 -3.470 -0.375 -6.444 499 2HB TYR 70 2HB TYR 70 -3.181 -1.414 -5.066 500 HD1 TYR 70 HD1 TYR 70 -1.057 -0.154 -7.953 501 HD2 TYR 70 HD2 TYR 70 -1.515 -0.514 -3.678 502 HE1 TYR 70 HE1 TYR 70 1.261 0.649 -7.625 503 HE2 TYR 70 HE2 TYR 70 0.857 0.117 -3.381 504 HH TYR 70 HH TYR 70 2.772 1.543 -5.806 505 H VAL 71 H VAL 71 -1.125 -3.263 -8.724 506 HA VAL 71 HA VAL 71 0.322 -4.999 -6.818 507 HB VAL 71 HB VAL 71 0.352 -4.987 -9.855 508 1HG1 VAL 71 1HG1 VAL 71 1.415 -6.957 -7.779 509 2HG1 VAL 71 2HG1 VAL 71 1.315 -7.283 -9.521 510 3HG1 VAL 71 3HG1 VAL 71 2.381 -6.006 -8.926 511 1HG2 VAL 71 1HG2 VAL 71 -1.202 -6.719 -7.888 512 2HG2 VAL 71 2HG2 VAL 71 -1.897 -5.589 -9.067 513 3HG2 VAL 71 3HG2 VAL 71 -1.057 -7.038 -9.626 514 H VAL 72 H VAL 72 2.551 -4.741 -6.428 515 HA VAL 72 HA VAL 72 4.090 -2.926 -8.137 516 HB VAL 72 HB VAL 72 3.040 -1.397 -6.572 517 1HG1 VAL 72 1HG1 VAL 72 3.564 -1.391 -4.178 518 2HG1 VAL 72 2HG1 VAL 72 2.741 -2.896 -4.624 519 3HG1 VAL 72 3HG1 VAL 72 4.497 -2.880 -4.338 520 1HG2 VAL 72 1HG2 VAL 72 5.059 -0.240 -5.804 521 2HG2 VAL 72 2HG2 VAL 72 6.016 -1.712 -6.054 522 3HG2 VAL 72 3HG2 VAL 72 5.276 -0.884 -7.441 523 H THR 73 H THR 73 6.178 -3.505 -8.286 524 HA THR 73 HA THR 73 7.099 -5.841 -6.700 525 HB THR 73 HB THR 73 8.168 -4.728 -9.322 526 HG1 THR 73 HG1 THR 73 6.904 -6.305 -10.276 527 1HG2 THR 73 1HG2 THR 73 9.123 -7.020 -9.514 528 2HG2 THR 73 2HG2 THR 73 9.719 -6.209 -8.052 529 3HG2 THR 73 3HG2 THR 73 8.430 -7.423 -7.929 530 H LEU 74 H LEU 74 8.077 -4.950 -4.860 531 HA LEU 74 HA LEU 74 9.862 -2.589 -5.194 532 1HB LEU 74 1HB LEU 74 9.054 -4.059 -2.676 533 2HB LEU 74 2HB LEU 74 10.030 -2.586 -2.803 534 HG LEU 74 HG LEU 74 7.097 -2.877 -3.571 535 1HD1 LEU 74 1HD1 LEU 74 6.703 -1.346 -1.711 536 2HD1 LEU 74 2HD1 LEU 74 7.642 -2.724 -1.111 537 3HD1 LEU 74 3HD1 LEU 74 8.444 -1.180 -1.424 538 1HD2 LEU 74 1HD2 LEU 74 8.095 -1.266 -5.128 539 2HD2 LEU 74 2HD2 LEU 74 7.187 -0.382 -3.899 540 3HD2 LEU 74 3HD2 LEU 74 8.957 -0.467 -3.799 541 H ASP 75 H ASP 75 11.659 -3.192 -6.224 542 HA ASP 75 HA ASP 75 13.113 -5.637 -5.562 543 1HB ASP 75 1HB ASP 75 13.097 -4.784 -7.841 544 2HB ASP 75 2HB ASP 75 13.857 -3.270 -7.314 545 H THR 76 H THR 76 13.826 -2.114 -5.237 546 HA THR 76 HA THR 76 16.265 -2.458 -3.902 547 HB THR 76 HB THR 76 14.389 -0.072 -3.659 548 HG1 THR 76 HG1 THR 76 15.261 0.528 -5.696 549 1HG2 THR 76 1HG2 THR 76 16.493 1.214 -3.767 550 2HG2 THR 76 2HG2 THR 76 16.545 0.062 -2.420 551 3HG2 THR 76 3HG2 THR 76 17.425 -0.290 -3.926 552 H LYS 77 H LYS 77 16.614 -3.184 -1.891 553 HA LYS 77 HA LYS 77 14.541 -3.637 0.003 554 1HB LYS 77 1HB LYS 77 16.519 -4.160 1.563 555 2HB LYS 77 2HB LYS 77 16.270 -5.156 0.143 556 1HG LYS 77 1HG LYS 77 18.608 -4.710 0.578 557 2HG LYS 77 2HG LYS 77 18.133 -4.154 -1.019 558 1HD LYS 77 1HD LYS 77 18.074 -1.815 -0.229 559 2HD LYS 77 2HD LYS 77 18.406 -2.337 1.433 560 1HE LYS 77 1HE LYS 77 20.264 -2.679 -0.974 561 2HE LYS 77 2HE LYS 77 20.402 -1.429 0.272 562 1HZ LYS 77 1HZ LYS 77 20.647 -4.321 0.714 563 2HZ LYS 77 2HZ LYS 77 21.865 -3.216 0.721 564 3HZ LYS 77 3HZ LYS 77 20.708 -3.169 1.893 565 H GLY 78 H GLY 78 14.507 -2.930 2.220 566 1HA GLY 78 1HA GLY 78 15.400 -1.131 3.762 567 2HA GLY 78 2HA GLY 78 14.920 0.027 2.519 568 H THR 79 H THR 79 13.736 0.617 4.708 569 HA THR 79 HA THR 79 11.209 -0.846 5.084 570 HB THR 79 HB THR 79 12.321 1.487 6.674 571 HG1 THR 79 HG1 THR 79 13.163 -0.181 8.017 572 1HG2 THR 79 1HG2 THR 79 10.907 0.524 8.450 573 2HG2 THR 79 2HG2 THR 79 9.925 0.868 7.008 574 3HG2 THR 79 3HG2 THR 79 10.415 -0.803 7.374 575 OH TYR 80 OH TYR 80 11.808 -0.103 -2.638 576 H TYR 80 H TYR 80 9.561 -0.218 3.847 577 HA TYR 80 HA TYR 80 9.341 2.596 2.869 578 1HB TYR 80 1HB TYR 80 8.100 -0.008 1.977 579 2HB TYR 80 2HB TYR 80 7.601 1.564 1.386 580 HD1 TYR 80 HD2 TYR 80 10.717 -0.517 1.739 581 HD2 TYR 80 HD1 TYR 80 8.402 2.179 -0.699 582 HE1 TYR 80 HE2 TYR 80 12.208 -0.958 -0.157 583 HE2 TYR 80 HE1 TYR 80 9.824 1.626 -2.639 584 HH TYR 80 HH TYR 80 12.442 -0.795 -2.416 585 H SER 81 H SER 81 8.097 3.804 4.276 586 HA SER 81 HA SER 81 5.864 2.504 5.775 587 1HB SER 81 1HB SER 81 6.737 5.398 5.795 588 2HB SER 81 2HB SER 81 5.662 4.583 6.938 589 HG SER 81 HG SER 81 8.383 3.887 6.466 590 H PHE 82 H PHE 82 3.636 2.781 5.205 591 HA PHE 82 HA PHE 82 3.070 4.690 3.035 592 1HB PHE 82 1HB PHE 82 1.886 2.994 1.715 593 2HB PHE 82 2HB PHE 82 3.579 2.661 1.847 594 HD1 PHE 82 HD1 PHE 82 0.208 1.757 3.181 595 HD2 PHE 82 HD2 PHE 82 4.313 0.412 2.722 596 HE1 PHE 82 HE1 PHE 82 -0.368 -0.419 4.163 597 HE2 PHE 82 HE2 PHE 82 3.676 -1.751 3.682 598 HZ PHE 82 HZ PHE 82 1.348 -2.180 4.418 599 OH TYR 83 OH TYR 83 0.970 10.927 1.882 600 H TYR 83 H TYR 83 0.800 4.816 2.480 601 HA TYR 83 HA TYR 83 -1.108 4.156 4.590 602 1HB TYR 83 1HB TYR 83 -1.718 6.496 5.062 603 2HB TYR 83 2HB TYR 83 -0.051 6.163 5.522 604 HD1 TYR 83 HD2 TYR 83 -2.220 7.930 3.083 605 HD2 TYR 83 HD1 TYR 83 1.835 7.203 4.348 606 HE1 TYR 83 HE2 TYR 83 -1.481 9.968 1.885 607 HE2 TYR 83 HE1 TYR 83 2.575 9.230 3.145 608 HH TYR 83 HH TYR 83 1.913 11.086 1.940 609 H CYS 84 H CYS 84 -3.295 4.783 4.137 610 HA CYS 84 HA CYS 84 -3.866 4.891 1.187 611 1HB CYS 84 1HB CYS 84 -4.872 2.922 2.130 612 2HB CYS 84 2HB CYS 84 -5.325 3.799 3.596 613 H SER 85 H SER 85 -3.886 6.992 0.700 614 HA SER 85 HA SER 85 -4.253 9.104 2.162 615 1HB SER 85 1HB SER 85 -5.555 9.360 -0.521 616 2HB SER 85 2HB SER 85 -4.352 10.353 0.295 617 HG SER 85 HG SER 85 -3.999 7.835 -0.979 618 HA PRO 86 HA PRO 86 -8.982 9.726 1.795 619 1HB PRO 86 1HB PRO 86 -10.639 7.586 1.242 620 2HB PRO 86 2HB PRO 86 -9.968 8.697 0.017 621 1HG PRO 86 1HG PRO 86 -8.853 6.031 0.887 622 2HG PRO 86 2HG PRO 86 -9.170 6.567 -0.783 623 1HD PRO 86 1HD PRO 86 -6.692 6.776 0.186 624 2HD PRO 86 2HD PRO 86 -7.393 8.152 -0.705 625 H HIS 87 H HIS 87 -7.317 7.235 3.492 626 HA HIS 87 HA HIS 87 -9.177 7.595 5.789 627 1HB HIS 87 1HB HIS 87 -7.966 4.966 4.910 628 2HB HIS 87 2HB HIS 87 -8.979 5.233 6.334 629 HD2 HIS 87 HD2 HIS 87 -11.524 6.497 5.531 630 HE1 HIS 87 HE1 HIS 87 -11.869 3.761 2.308 631 HE2 HIS 87 HE2 HIS 87 -13.124 5.387 3.784 632 H GLN 88 H GLN 88 -6.260 8.510 4.759 633 HA GLN 88 HA GLN 88 -4.489 7.349 6.638 634 1HB GLN 88 1HB GLN 88 -2.990 9.062 6.057 635 2HB GLN 88 2HB GLN 88 -3.867 8.593 4.605 636 1HG GLN 88 1HG GLN 88 -5.344 10.654 4.962 637 2HG GLN 88 2HG GLN 88 -4.217 11.148 6.231 638 1HE2 GLN 88 1HE2 GLN 88 -1.501 11.762 3.900 639 2HE2 GLN 88 2HE2 GLN 88 -1.790 11.127 5.509 640 H GLY 89 H GLY 89 -6.668 10.145 6.817 641 1HA GLY 89 1HA GLY 89 -5.969 11.155 9.363 642 2HA GLY 89 2HA GLY 89 -7.564 11.280 8.597 643 H ALA 90 H ALA 90 -7.866 8.295 8.424 644 HA ALA 90 HA ALA 90 -8.834 7.832 11.174 645 1HB ALA 90 1HB ALA 90 -10.068 5.993 10.168 646 2HB ALA 90 2HB ALA 90 -10.335 7.476 9.232 647 3HB ALA 90 3HB ALA 90 -9.228 6.223 8.622 648 H GLY 91 H GLY 91 -5.837 7.575 9.968 649 1HA GLY 91 1HA GLY 91 -4.048 6.407 10.696 650 2HA GLY 91 2HA GLY 91 -5.082 5.471 11.782 651 H MET 92 H MET 92 -5.877 5.510 8.297 652 HA MET 92 HA MET 92 -5.303 2.647 8.253 653 1HB MET 92 1HB MET 92 -7.248 3.933 7.080 654 2HB MET 92 2HB MET 92 -6.077 4.167 5.773 655 1HG MET 92 1HG MET 92 -5.830 1.448 6.498 656 2HG MET 92 2HG MET 92 -7.547 1.780 6.688 657 1HE MET 92 1HE MET 92 -7.042 -0.411 3.460 658 2HE MET 92 2HE MET 92 -7.863 -0.343 5.034 659 3HE MET 92 3HE MET 92 -6.077 -0.434 4.947 660 H VAL 93 H VAL 93 -3.089 2.798 8.743 661 HA VAL 93 HA VAL 93 -1.292 3.514 6.484 662 HB VAL 93 HB VAL 93 0.371 4.251 8.028 663 1HG1 VAL 93 1HG1 VAL 93 -0.622 6.273 8.861 664 2HG1 VAL 93 2HG1 VAL 93 -1.448 5.878 7.344 665 3HG1 VAL 93 3HG1 VAL 93 -2.242 5.559 8.892 666 1HG2 VAL 93 1HG2 VAL 93 -1.607 3.568 10.242 667 2HG2 VAL 93 2HG2 VAL 93 -0.071 2.731 9.915 668 3HG2 VAL 93 3HG2 VAL 93 -0.063 4.418 10.454 669 H GLY 94 H GLY 94 0.927 2.411 6.707 670 1HA GLY 94 1HA GLY 94 1.054 -0.101 8.083 671 2HA GLY 94 2HA GLY 94 0.717 -0.329 6.371 672 H LYS 95 H LYS 95 3.076 -1.362 6.958 673 HA LYS 95 HA LYS 95 5.032 0.423 5.780 674 1HB LYS 95 1HB LYS 95 5.061 1.085 8.187 675 2HB LYS 95 2HB LYS 95 5.395 -0.596 8.627 676 1HG LYS 95 1HG LYS 95 7.602 -0.499 7.656 677 2HG LYS 95 2HG LYS 95 7.239 1.026 6.837 678 1HD LYS 95 1HD LYS 95 8.602 1.515 8.785 679 2HD LYS 95 2HD LYS 95 6.992 2.184 9.012 680 1HE LYS 95 1HE LYS 95 6.384 0.311 10.500 681 2HE LYS 95 2HE LYS 95 7.938 -0.485 10.171 682 1HZ LYS 95 1HZ LYS 95 9.023 1.384 11.184 683 2HZ LYS 95 2HZ LYS 95 7.578 2.123 11.472 684 3HZ LYS 95 3HZ LYS 95 7.946 0.706 12.229 685 H VAL 96 H VAL 96 6.399 -0.799 4.540 686 HA VAL 96 HA VAL 96 6.416 -3.733 5.088 687 HB VAL 96 HB VAL 96 5.080 -3.373 3.223 688 1HG1 VAL 96 1HG1 VAL 96 5.692 -2.298 1.160 689 2HG1 VAL 96 2HG1 VAL 96 6.016 -1.118 2.436 690 3HG1 VAL 96 3HG1 VAL 96 7.353 -2.042 1.710 691 1HG2 VAL 96 1HG2 VAL 96 7.764 -4.329 2.218 692 2HG2 VAL 96 2HG2 VAL 96 6.624 -5.287 3.199 693 3HG2 VAL 96 3HG2 VAL 96 6.155 -4.716 1.581 694 H THR 97 H THR 97 8.261 -4.614 5.401 695 HA THR 97 HA THR 97 10.772 -3.077 5.059 696 HB THR 97 HB THR 97 10.600 -5.767 6.409 697 HG1 THR 97 HG1 THR 97 8.911 -4.602 7.319 698 1HG2 THR 97 1HG2 THR 97 12.354 -4.788 7.793 699 2HG2 THR 97 2HG2 THR 97 12.795 -4.656 6.079 700 3HG2 THR 97 3HG2 THR 97 12.192 -3.230 6.956 701 H VAL 98 H VAL 98 11.349 -3.221 2.896 702 HA VAL 98 HA VAL 98 10.993 -5.722 1.439 703 HB VAL 98 HB VAL 98 12.327 -3.128 0.632 704 1HG1 VAL 98 1HG1 VAL 98 12.014 -3.974 -1.657 705 2HG1 VAL 98 2HG1 VAL 98 12.988 -5.135 -0.746 706 3HG1 VAL 98 3HG1 VAL 98 11.272 -5.465 -1.036 707 1HG2 VAL 98 1HG2 VAL 98 9.499 -4.188 0.152 708 2HG2 VAL 98 2HG2 VAL 98 9.917 -2.813 1.190 709 3HG2 VAL 98 3HG2 VAL 98 10.188 -2.716 -0.549 710 H ASN 99 H ASN 99 12.387 -7.342 1.788 711 HA ASN 99 HA ASN 99 15.159 -6.785 2.788 712 1HB ASN 99 1HB ASN 99 13.428 -9.288 2.810 713 2HB ASN 99 2HB ASN 99 15.104 -9.206 3.375 714 1HD2 ASN 99 1HD2 ASN 99 13.003 -8.866 6.395 715 2HD2 ASN 99 2HD2 ASN 99 13.320 -10.112 5.198 Start of MODEL 13 Raw file had 715 H/Q atoms Start of MODEL 13 1 H LEU 1 H LEU 1 3.714 -9.519 -1.596 2 HA LEU 1 HA LEU 1 2.318 -11.252 -0.757 3 1HB LEU 1 1HB LEU 1 2.348 -9.409 1.642 4 2HB LEU 1 2HB LEU 1 0.977 -10.488 1.475 5 HG LEU 1 HG LEU 1 2.440 -12.455 1.368 6 1HD1 LEU 1 1HD1 LEU 1 4.535 -11.440 0.528 7 2HD1 LEU 1 2HD1 LEU 1 4.656 -10.473 2.018 8 3HD1 LEU 1 3HD1 LEU 1 4.812 -12.240 2.082 9 1HD2 LEU 1 1HD2 LEU 1 3.029 -12.425 3.766 10 2HD2 LEU 1 2HD2 LEU 1 2.853 -10.658 3.799 11 3HD2 LEU 1 3HD2 LEU 1 1.439 -11.691 3.496 12 H GLU 2 H GLU 2 -0.124 -11.388 -0.270 13 HA GLU 2 HA GLU 2 -1.570 -9.503 -2.025 14 1HB GLU 2 1HB GLU 2 -2.284 -12.169 -0.740 15 2HB GLU 2 2HB GLU 2 -3.470 -11.116 -1.539 16 1HG GLU 2 1HG GLU 2 -2.111 -11.038 -3.569 17 2HG GLU 2 2HG GLU 2 -0.906 -12.115 -2.851 18 H VAL 3 H VAL 3 -1.528 -7.712 -0.888 19 HA VAL 3 HA VAL 3 -2.332 -7.666 1.957 20 HB VAL 3 HB VAL 3 -1.582 -5.338 0.170 21 1HG1 VAL 3 1HG1 VAL 3 -1.133 -4.227 2.375 22 2HG1 VAL 3 2HG1 VAL 3 -2.840 -4.665 2.187 23 3HG1 VAL 3 3HG1 VAL 3 -1.772 -5.655 3.202 24 1HG2 VAL 3 1HG2 VAL 3 0.322 -6.882 0.305 25 2HG2 VAL 3 2HG2 VAL 3 0.615 -5.415 1.238 26 3HG2 VAL 3 3HG2 VAL 3 0.190 -6.920 2.074 27 H LEU 4 H LEU 4 -4.436 -7.521 2.535 28 HA LEU 4 HA LEU 4 -6.435 -6.684 0.515 29 1HB LEU 4 1HB LEU 4 -6.803 -7.608 3.376 30 2HB LEU 4 2HB LEU 4 -8.056 -7.388 2.176 31 HG LEU 4 HG LEU 4 -5.842 -9.484 2.153 32 1HD1 LEU 4 1HD1 LEU 4 -7.733 -11.048 2.376 33 2HD1 LEU 4 2HD1 LEU 4 -7.737 -9.876 3.706 34 3HD1 LEU 4 3HD1 LEU 4 -8.881 -9.692 2.357 35 1HD2 LEU 4 1HD2 LEU 4 -7.984 -8.894 0.062 36 2HD2 LEU 4 2HD2 LEU 4 -6.220 -8.848 -0.172 37 3HD2 LEU 4 3HD2 LEU 4 -7.025 -10.390 0.130 38 H LEU 5 H LEU 5 -7.018 -4.492 0.337 39 HA LEU 5 HA LEU 5 -6.434 -2.680 2.563 40 1HB LEU 5 1HB LEU 5 -8.154 -2.198 0.097 41 2HB LEU 5 2HB LEU 5 -7.627 -1.050 1.329 42 HG LEU 5 HG LEU 5 -6.266 -0.500 -0.293 43 1HD1 LEU 5 1HD1 LEU 5 -4.014 -1.169 0.151 44 2HD1 LEU 5 2HD1 LEU 5 -4.951 -0.991 1.648 45 3HD1 LEU 5 3HD1 LEU 5 -4.566 -2.623 1.016 46 1HD2 LEU 5 1HD2 LEU 5 -5.790 -3.272 -1.261 47 2HD2 LEU 5 2HD2 LEU 5 -6.963 -2.067 -1.908 48 3HD2 LEU 5 3HD2 LEU 5 -5.239 -1.728 -1.968 49 H GLY 6 H GLY 6 -7.602 -3.214 4.386 50 1HA GLY 6 1HA GLY 6 -9.468 -2.802 5.609 51 2HA GLY 6 2HA GLY 6 -10.559 -3.021 4.240 52 H SER 7 H SER 7 -10.832 -4.295 6.855 53 HA SER 7 HA SER 7 -10.075 -7.092 6.496 54 1HB SER 7 1HB SER 7 -11.208 -7.269 8.700 55 2HB SER 7 2HB SER 7 -10.009 -5.972 8.713 56 HG SER 7 HG SER 7 -12.451 -5.694 9.393 57 H GLY 8 H GLY 8 -11.976 -8.580 6.919 58 1HA GLY 8 1HA GLY 8 -13.801 -8.631 4.777 59 2HA GLY 8 2HA GLY 8 -14.024 -9.533 6.284 60 H ASP 9 H ASP 9 -14.314 -7.439 8.127 61 HA ASP 9 HA ASP 9 -17.051 -6.588 7.576 62 1HB ASP 9 1HB ASP 9 -17.122 -5.895 9.844 63 2HB ASP 9 2HB ASP 9 -16.283 -7.449 9.808 64 H GLY 10 H GLY 10 -14.402 -5.320 6.239 65 1HA GLY 10 1HA GLY 10 -13.966 -3.339 5.296 66 2HA GLY 10 2HA GLY 10 -15.565 -2.764 5.788 67 H SER 11 H SER 11 -13.102 -3.876 8.188 68 HA SER 11 HA SER 11 -13.176 -1.207 9.374 69 1HB SER 11 1HB SER 11 -12.895 -3.204 10.779 70 2HB SER 11 2HB SER 11 -11.286 -3.491 10.058 71 HG SER 11 HG SER 11 -11.251 -2.255 12.032 72 H LEU 12 H LEU 12 -11.481 0.294 9.326 73 HA LEU 12 HA LEU 12 -10.049 0.402 6.805 74 1HB LEU 12 1HB LEU 12 -10.045 2.269 9.214 75 2HB LEU 12 2HB LEU 12 -9.473 2.659 7.593 76 HG LEU 12 HG LEU 12 -12.371 2.014 8.325 77 1HD1 LEU 12 1HD1 LEU 12 -12.747 4.409 7.865 78 2HD1 LEU 12 2HD1 LEU 12 -11.637 4.159 9.224 79 3HD1 LEU 12 3HD1 LEU 12 -11.000 4.638 7.642 80 1HD2 LEU 12 1HD2 LEU 12 -12.011 1.307 6.053 81 2HD2 LEU 12 2HD2 LEU 12 -12.814 2.878 5.994 82 3HD2 LEU 12 3HD2 LEU 12 -11.067 2.767 5.689 83 H VAL 13 H VAL 13 -8.915 -1.658 7.465 84 HA VAL 13 HA VAL 13 -6.233 -0.924 8.568 85 HB VAL 13 HB VAL 13 -6.113 -3.122 9.661 86 1HG1 VAL 13 1HG1 VAL 13 -6.812 -1.089 10.922 87 2HG1 VAL 13 2HG1 VAL 13 -8.514 -1.511 10.630 88 3HG1 VAL 13 3HG1 VAL 13 -7.483 -2.587 11.589 89 1HG2 VAL 13 1HG2 VAL 13 -7.780 -4.414 8.371 90 2HG2 VAL 13 2HG2 VAL 13 -8.150 -4.441 10.096 91 3HG2 VAL 13 3HG2 VAL 13 -9.084 -3.397 9.012 92 H PHE 14 H PHE 14 -4.482 -1.715 7.475 93 HA PHE 14 HA PHE 14 -4.939 -3.087 4.891 94 1HB PHE 14 1HB PHE 14 -2.488 -2.050 6.379 95 2HB PHE 14 2HB PHE 14 -2.358 -3.090 4.981 96 HD1 PHE 14 HD2 PHE 14 -3.334 0.292 6.119 97 HD2 PHE 14 HD1 PHE 14 -2.561 -2.276 2.737 98 HE1 PHE 14 HE2 PHE 14 -2.975 2.261 4.666 99 HE2 PHE 14 HE1 PHE 14 -2.044 -0.319 1.377 100 HZ PHE 14 HZ PHE 14 -2.418 1.973 2.261 101 H VAL 15 H VAL 15 -4.848 -5.361 4.771 102 HA VAL 15 HA VAL 15 -3.743 -6.791 7.176 103 HB VAL 15 HB VAL 15 -5.929 -7.748 5.338 104 1HG1 VAL 15 1HG1 VAL 15 -6.239 -9.456 7.082 105 2HG1 VAL 15 2HG1 VAL 15 -4.611 -9.553 6.401 106 3HG1 VAL 15 3HG1 VAL 15 -4.862 -8.800 7.991 107 1HG2 VAL 15 1HG2 VAL 15 -6.801 -5.863 6.601 108 2HG2 VAL 15 2HG2 VAL 15 -7.414 -7.362 7.303 109 3HG2 VAL 15 3HG2 VAL 15 -6.087 -6.494 8.105 110 HA PRO 16 HA PRO 16 -1.814 -7.590 7.683 111 1HB PRO 16 1HB PRO 16 0.867 -7.591 7.365 112 2HB PRO 16 2HB PRO 16 -0.098 -9.086 7.258 113 1HG PRO 16 1HG PRO 16 0.849 -7.337 4.961 114 2HG PRO 16 2HG PRO 16 1.067 -9.103 5.140 115 1HD PRO 16 1HD PRO 16 -0.982 -8.056 3.692 116 2HD PRO 16 2HD PRO 16 -1.241 -9.505 4.694 117 H SER 17 H SER 17 -0.607 -5.853 8.803 118 HA SER 17 HA SER 17 -0.820 -3.236 7.486 119 1HB SER 17 1HB SER 17 -0.346 -2.587 9.931 120 2HB SER 17 2HB SER 17 -1.859 -3.468 9.617 121 HG SER 17 HG SER 17 -0.729 -4.419 11.368 122 H GLU 18 H GLU 18 1.434 -4.926 9.598 123 HA GLU 18 HA GLU 18 3.808 -3.661 8.306 124 1HB GLU 18 1HB GLU 18 3.631 -3.190 10.685 125 2HB GLU 18 2HB GLU 18 3.415 -4.911 11.043 126 1HG GLU 18 1HG GLU 18 5.680 -4.201 11.591 127 2HG GLU 18 2HG GLU 18 5.721 -5.395 10.301 128 H PHE 19 H PHE 19 5.322 -5.074 7.308 129 HA PHE 19 HA PHE 19 5.366 -7.888 7.857 130 1HB PHE 19 1HB PHE 19 4.536 -8.788 5.797 131 2HB PHE 19 2HB PHE 19 3.280 -7.851 6.545 132 HD1 PHE 19 HD1 PHE 19 3.015 -5.321 5.713 133 HD2 PHE 19 HD2 PHE 19 4.852 -8.539 3.485 134 HE1 PHE 19 HE1 PHE 19 2.363 -4.245 3.601 135 HE2 PHE 19 HE2 PHE 19 4.155 -7.450 1.371 136 HZ PHE 19 HZ PHE 19 2.968 -5.271 1.428 137 H SER 20 H SER 20 6.604 -8.950 5.702 138 HA SER 20 HA SER 20 8.847 -7.186 4.990 139 1HB SER 20 1HB SER 20 9.116 -9.967 6.245 140 2HB SER 20 2HB SER 20 10.444 -8.914 5.731 141 HG SER 20 HG SER 20 8.560 -8.273 7.758 142 H VAL 21 H VAL 21 9.919 -7.883 3.038 143 HA VAL 21 HA VAL 21 8.870 -10.274 1.667 144 HB VAL 21 HB VAL 21 8.353 -8.979 -0.370 145 1HG1 VAL 21 1HG1 VAL 21 6.557 -9.582 1.211 146 2HG1 VAL 21 2HG1 VAL 21 6.676 -7.948 1.916 147 3HG1 VAL 21 3HG1 VAL 21 6.201 -8.159 0.219 148 1HG2 VAL 21 1HG2 VAL 21 9.685 -6.970 -0.092 149 2HG2 VAL 21 2HG2 VAL 21 7.986 -6.537 -0.272 150 3HG2 VAL 21 3HG2 VAL 21 8.736 -6.494 1.336 151 HA PRO 22 HA PRO 22 13.079 -10.167 0.229 152 1HB PRO 22 1HB PRO 22 13.015 -11.648 -2.065 153 2HB PRO 22 2HB PRO 22 12.771 -12.370 -0.447 154 1HG PRO 22 1HG PRO 22 10.638 -11.485 -2.417 155 2HG PRO 22 2HG PRO 22 10.759 -13.059 -1.578 156 1HD PRO 22 1HD PRO 22 9.171 -11.076 -0.624 157 2HD PRO 22 2HD PRO 22 10.110 -12.095 0.496 158 H SER 23 H SER 23 14.378 -8.988 -1.235 159 HA SER 23 HA SER 23 13.346 -6.688 -2.486 160 1HB SER 23 1HB SER 23 15.885 -8.235 -3.120 161 2HB SER 23 2HB SER 23 15.565 -6.565 -3.586 162 HG SER 23 HG SER 23 15.606 -7.509 -0.894 163 H GLY 24 H GLY 24 12.072 -6.506 -4.224 164 1HA GLY 24 1HA GLY 24 11.736 -6.737 -6.590 165 2HA GLY 24 2HA GLY 24 12.396 -8.369 -6.553 166 H GLU 25 H GLU 25 10.440 -8.286 -3.816 167 HA GLU 25 HA GLU 25 8.493 -9.910 -5.037 168 1HB GLU 25 1HB GLU 25 9.125 -9.454 -2.492 169 2HB GLU 25 2HB GLU 25 7.730 -8.373 -2.570 170 1HG GLU 25 1HG GLU 25 7.828 -11.375 -3.189 171 2HG GLU 25 2HG GLU 25 7.158 -10.638 -1.731 172 H LYS 26 H LYS 26 6.555 -9.560 -5.946 173 HA LYS 26 HA LYS 26 5.690 -6.850 -6.721 174 1HB LYS 26 1HB LYS 26 4.868 -9.673 -7.528 175 2HB LYS 26 2HB LYS 26 4.176 -8.176 -8.170 176 1HG LYS 26 1HG LYS 26 6.406 -7.481 -8.990 177 2HG LYS 26 2HG LYS 26 7.122 -8.977 -8.364 178 1HD LYS 26 1HD LYS 26 5.632 -10.306 -9.854 179 2HD LYS 26 2HD LYS 26 4.930 -8.801 -10.486 180 1HE LYS 26 1HE LYS 26 7.169 -8.103 -11.313 181 2HE LYS 26 2HE LYS 26 7.874 -9.605 -10.682 182 1HZ LYS 26 1HZ LYS 26 6.450 -10.822 -12.161 183 2HZ LYS 26 2HZ LYS 26 5.792 -9.428 -12.747 184 3HZ LYS 26 3HZ LYS 26 7.386 -9.759 -13.002 185 H ILE 27 H ILE 27 4.832 -6.052 -4.763 186 HA ILE 27 HA ILE 27 3.084 -7.708 -3.110 187 HB ILE 27 HB ILE 27 3.475 -4.696 -3.117 188 1HG1 ILE 27 1HG1 ILE 27 4.891 -6.837 -1.452 189 2HG1 ILE 27 2HG1 ILE 27 5.631 -5.938 -2.783 190 1HG2 ILE 27 1HG2 ILE 27 2.452 -6.551 -0.923 191 2HG2 ILE 27 2HG2 ILE 27 2.595 -4.784 -0.829 192 3HG2 ILE 27 3HG2 ILE 27 1.421 -5.496 -1.912 193 1HD1 ILE 27 1HD1 ILE 27 6.336 -4.914 -0.772 194 2HD1 ILE 27 2HD1 ILE 27 5.201 -3.802 -1.568 195 3HD1 ILE 27 3HD1 ILE 27 4.689 -4.755 -0.159 196 H VAL 28 H VAL 28 0.856 -7.755 -3.173 197 HA VAL 28 HA VAL 28 -0.520 -6.317 -5.422 198 HB VAL 28 HB VAL 28 -1.086 -9.041 -4.202 199 1HG1 VAL 28 1HG1 VAL 28 -2.735 -9.252 -6.047 200 2HG1 VAL 28 2HG1 VAL 28 -3.167 -7.936 -4.951 201 3HG1 VAL 28 3HG1 VAL 28 -2.419 -7.572 -6.519 202 1HG2 VAL 28 1HG2 VAL 28 0.909 -9.135 -5.618 203 2HG2 VAL 28 2HG2 VAL 28 -0.450 -9.936 -6.408 204 3HG2 VAL 28 3HG2 VAL 28 0.040 -8.314 -6.930 205 H PHE 29 H PHE 29 -1.385 -4.558 -4.378 206 HA PHE 29 HA PHE 29 -2.719 -4.916 -1.748 207 1HB PHE 29 1HB PHE 29 -2.279 -2.479 -3.460 208 2HB PHE 29 2HB PHE 29 -3.102 -2.496 -1.912 209 HD1 PHE 29 HD2 PHE 29 -1.883 -2.880 0.193 210 HD2 PHE 29 HD1 PHE 29 0.138 -2.603 -3.600 211 HE1 PHE 29 HE2 PHE 29 0.246 -2.359 1.373 212 HE2 PHE 29 HE1 PHE 29 2.292 -2.182 -2.392 213 HZ PHE 29 HZ PHE 29 2.331 -2.013 0.066 214 H LYS 30 H LYS 30 -4.626 -6.029 -2.040 215 HA LYS 30 HA LYS 30 -6.363 -5.402 -4.360 216 1HB LYS 30 1HB LYS 30 -5.620 -7.717 -3.950 217 2HB LYS 30 2HB LYS 30 -6.480 -7.709 -2.402 218 1HG LYS 30 1HG LYS 30 -8.627 -7.513 -3.503 219 2HG LYS 30 2HG LYS 30 -7.870 -7.066 -5.034 220 1HD LYS 30 1HD LYS 30 -8.678 -9.364 -5.136 221 2HD LYS 30 2HD LYS 30 -6.928 -9.288 -5.329 222 1HE LYS 30 1HE LYS 30 -7.558 -11.171 -3.899 223 2HE LYS 30 2HE LYS 30 -6.609 -10.003 -2.974 224 1HZ LYS 30 1HZ LYS 30 -8.667 -9.156 -2.076 225 2HZ LYS 30 2HZ LYS 30 -9.543 -10.245 -2.950 226 3HZ LYS 30 3HZ LYS 30 -8.517 -10.766 -1.771 227 H ASN 31 H ASN 31 -8.234 -4.316 -4.177 228 HA ASN 31 HA ASN 31 -9.081 -3.146 -1.697 229 1HB ASN 31 1HB ASN 31 -9.589 -2.127 -3.878 230 2HB ASN 31 2HB ASN 31 -10.566 -3.520 -4.344 231 1HD2 ASN 31 1HD2 ASN 31 -13.159 -1.243 -3.258 232 2HD2 ASN 31 2HD2 ASN 31 -12.229 -1.776 -4.651 233 H ASN 32 H ASN 32 -10.043 -4.245 -0.019 234 HA ASN 32 HA ASN 32 -11.607 -6.707 -0.614 235 1HB ASN 32 1HB ASN 32 -9.793 -6.840 0.965 236 2HB ASN 32 2HB ASN 32 -10.500 -5.586 1.979 237 1HD2 ASN 32 1HD2 ASN 32 -11.687 -8.411 3.796 238 2HD2 ASN 32 2HD2 ASN 32 -10.414 -7.185 3.698 239 H ALA 33 H ALA 33 -11.923 -4.157 1.839 240 HA ALA 33 HA ALA 33 -14.630 -3.391 1.027 241 1HB ALA 33 1HB ALA 33 -15.105 -5.507 2.217 242 2HB ALA 33 2HB ALA 33 -14.115 -4.980 3.584 243 3HB ALA 33 3HB ALA 33 -15.634 -4.136 3.209 244 H GLY 34 H GLY 34 -15.452 -1.734 2.793 245 1HA GLY 34 1HA GLY 34 -15.053 0.138 4.085 246 2HA GLY 34 2HA GLY 34 -13.476 -0.525 4.531 247 H PHE 35 H PHE 35 -14.126 -0.284 1.158 248 HA PHE 35 HA PHE 35 -12.009 1.611 0.574 249 1HB PHE 35 1HB PHE 35 -12.548 0.953 -1.720 250 2HB PHE 35 2HB PHE 35 -12.415 -0.337 -0.599 251 HD1 PHE 35 HD2 PHE 35 -15.143 1.898 -1.904 252 HD2 PHE 35 HD1 PHE 35 -13.840 -2.105 -0.946 253 HE1 PHE 35 HE2 PHE 35 -17.397 0.993 -2.508 254 HE2 PHE 35 HE1 PHE 35 -16.080 -2.980 -1.471 255 HZ PHE 35 HZ PHE 35 -17.841 -1.458 -2.315 256 HA PRO 36 HA PRO 36 -12.410 2.933 -1.928 257 1HB PRO 36 1HB PRO 36 -11.856 5.819 -1.510 258 2HB PRO 36 2HB PRO 36 -12.148 4.975 -3.057 259 1HG PRO 36 1HG PRO 36 -14.072 6.541 -1.940 260 2HG PRO 36 2HG PRO 36 -14.522 4.937 -2.595 261 1HD PRO 36 1HD PRO 36 -13.899 5.630 0.297 262 2HD PRO 36 2HD PRO 36 -15.315 4.770 -0.368 263 H HIS 37 H HIS 37 -10.154 2.821 -2.239 264 HA HIS 37 HA HIS 37 -8.430 3.681 -0.011 265 1HB HIS 37 1HB HIS 37 -8.649 0.877 -1.162 266 2HB HIS 37 2HB HIS 37 -7.384 1.305 -0.050 267 HD2 HIS 37 HD2 HIS 37 -10.124 -0.756 -0.067 268 HE1 HIS 37 HE1 HIS 37 -10.434 0.801 3.860 269 HE2 HIS 37 HE2 HIS 37 -11.008 -1.163 2.335 270 H ASN 38 H ASN 38 -6.084 3.271 -0.589 271 HA ASN 38 HA ASN 38 -5.263 2.784 -3.208 272 1HB ASN 38 1HB ASN 38 -4.517 4.915 -3.967 273 2HB ASN 38 2HB ASN 38 -6.224 5.050 -3.652 274 1HD2 ASN 38 1HD2 ASN 38 -5.091 8.182 -2.339 275 2HD2 ASN 38 2HD2 ASN 38 -5.564 7.394 -3.840 276 H VAL 39 H VAL 39 -2.692 3.582 -3.085 277 HA VAL 39 HA VAL 39 -1.787 3.182 -0.276 278 HB VAL 39 HB VAL 39 -0.757 1.587 -2.660 279 1HG1 VAL 39 1HG1 VAL 39 -0.157 1.436 0.334 280 2HG1 VAL 39 2HG1 VAL 39 0.503 0.374 -0.923 281 3HG1 VAL 39 3HG1 VAL 39 0.943 2.082 -0.903 282 1HG2 VAL 39 1HG2 VAL 39 -2.929 0.684 -2.136 283 2HG2 VAL 39 2HG2 VAL 39 -1.751 -0.342 -1.319 284 3HG2 VAL 39 3HG2 VAL 39 -2.653 0.857 -0.390 285 H VAL 40 H VAL 40 -0.666 4.961 0.137 286 HA VAL 40 HA VAL 40 1.045 6.155 -1.992 287 HB VAL 40 HB VAL 40 -0.356 7.494 0.355 288 1HG1 VAL 40 1HG1 VAL 40 1.232 8.667 -1.980 289 2HG1 VAL 40 2HG1 VAL 40 0.384 9.596 -0.729 290 3HG1 VAL 40 3HG1 VAL 40 1.780 8.600 -0.293 291 1HG2 VAL 40 1HG2 VAL 40 -1.005 7.521 -2.623 292 2HG2 VAL 40 2HG2 VAL 40 -2.024 6.878 -1.320 293 3HG2 VAL 40 3HG2 VAL 40 -1.723 8.617 -1.419 294 H PHE 41 H PHE 41 3.184 6.293 -1.473 295 HA PHE 41 HA PHE 41 4.017 5.080 1.103 296 1HB PHE 41 1HB PHE 41 5.393 5.622 -1.517 297 2HB PHE 41 2HB PHE 41 6.275 5.199 -0.066 298 HD1 PHE 41 HD1 PHE 41 3.795 3.925 -2.498 299 HD2 PHE 41 HD2 PHE 41 6.160 3.011 0.957 300 HE1 PHE 41 HE1 PHE 41 3.263 1.513 -2.784 301 HE2 PHE 41 HE2 PHE 41 5.801 0.574 0.564 302 HZ PHE 41 HZ PHE 41 4.297 -0.169 -1.271 303 H ASP 42 H ASP 42 5.255 6.117 2.619 304 HA ASP 42 HA ASP 42 5.077 9.026 2.684 305 1HB ASP 42 1HB ASP 42 4.874 7.598 4.709 306 2HB ASP 42 2HB ASP 42 6.557 7.089 4.497 307 H GLU 43 H GLU 43 6.265 9.893 1.040 308 HA GLU 43 HA GLU 43 8.532 9.148 -0.196 309 1HB GLU 43 1HB GLU 43 8.901 11.546 -0.708 310 2HB GLU 43 2HB GLU 43 7.230 11.009 -0.927 311 1HG GLU 43 1HG GLU 43 6.618 12.023 1.287 312 2HG GLU 43 2HG GLU 43 8.286 12.594 1.460 313 H ASP 44 H ASP 44 8.575 10.637 3.022 314 HA ASP 44 HA ASP 44 11.488 10.950 2.981 315 1HB ASP 44 1HB ASP 44 10.069 12.568 4.147 316 2HB ASP 44 2HB ASP 44 9.442 11.290 5.205 317 H GLU 45 H GLU 45 9.187 8.487 4.031 318 HA GLU 45 HA GLU 45 11.364 7.005 5.444 319 1HB GLU 45 1HB GLU 45 9.342 7.912 6.716 320 2HB GLU 45 2HB GLU 45 8.403 6.656 5.900 321 1HG GLU 45 1HG GLU 45 9.962 4.937 6.869 322 2HG GLU 45 2HG GLU 45 10.887 6.232 7.638 323 H ILE 46 H ILE 46 11.778 6.671 3.016 324 HA ILE 46 HA ILE 46 11.238 3.900 2.407 325 HB ILE 46 HB ILE 46 10.681 4.421 0.030 326 1HG1 ILE 46 1HG1 ILE 46 10.071 7.240 0.982 327 2HG1 ILE 46 2HG1 ILE 46 11.481 6.796 0.017 328 1HG2 ILE 46 1HG2 ILE 46 8.919 3.800 1.725 329 2HG2 ILE 46 2HG2 ILE 46 8.478 5.514 1.798 330 3HG2 ILE 46 3HG2 ILE 46 8.364 4.616 0.274 331 1HD1 ILE 46 1HD1 ILE 46 8.582 6.651 -0.843 332 2HD1 ILE 46 2HD1 ILE 46 9.894 7.637 -1.512 333 3HD1 ILE 46 3HD1 ILE 46 9.916 5.883 -1.743 334 HA PRO 47 HA PRO 47 15.486 4.447 1.148 335 1HB PRO 47 1HB PRO 47 14.816 3.022 -1.436 336 2HB PRO 47 2HB PRO 47 16.160 2.711 -0.305 337 1HG PRO 47 1HG PRO 47 13.996 1.092 -0.309 338 2HG PRO 47 2HG PRO 47 14.674 1.659 1.246 339 1HD PRO 47 1HD PRO 47 12.281 2.809 -0.227 340 2HD PRO 47 2HD PRO 47 12.448 2.341 1.488 341 H ALA 48 H ALA 48 15.961 6.528 0.610 342 HA ALA 48 HA ALA 48 14.727 8.446 -0.709 343 1HB ALA 48 1HB ALA 48 16.911 9.532 -1.065 344 2HB ALA 48 2HB ALA 48 16.829 8.727 0.514 345 3HB ALA 48 3HB ALA 48 17.733 7.976 -0.822 346 H GLY 49 H GLY 49 16.908 6.232 -2.507 347 1HA GLY 49 1HA GLY 49 16.801 7.534 -5.005 348 2HA GLY 49 2HA GLY 49 17.132 5.814 -4.750 349 H VAL 50 H VAL 50 14.388 5.372 -3.503 350 HA VAL 50 HA VAL 50 13.048 4.857 -6.051 351 HB VAL 50 HB VAL 50 12.190 4.181 -3.214 352 1HG1 VAL 50 1HG1 VAL 50 10.306 4.190 -4.822 353 2HG1 VAL 50 2HG1 VAL 50 11.257 3.225 -5.966 354 3HG1 VAL 50 3HG1 VAL 50 10.752 2.525 -4.416 355 1HG2 VAL 50 1HG2 VAL 50 14.329 3.068 -3.799 356 2HG2 VAL 50 2HG2 VAL 50 12.988 1.915 -3.794 357 3HG2 VAL 50 3HG2 VAL 50 13.628 2.519 -5.335 358 H ASP 51 H ASP 51 12.372 6.798 -6.870 359 HA ASP 51 HA ASP 51 11.132 8.936 -5.551 360 1HB ASP 51 1HB ASP 51 11.764 9.253 -7.803 361 2HB ASP 51 2HB ASP 51 10.877 7.832 -8.358 362 H ALA 52 H ALA 52 9.421 8.935 -4.309 363 HA ALA 52 HA ALA 52 7.685 6.940 -3.652 364 1HB ALA 52 1HB ALA 52 8.012 9.034 -2.399 365 2HB ALA 52 2HB ALA 52 7.044 9.911 -3.603 366 3HB ALA 52 3HB ALA 52 6.296 8.633 -2.615 367 H VAL 53 H VAL 53 7.259 9.325 -6.276 368 HA VAL 53 HA VAL 53 4.532 8.790 -6.832 369 HB VAL 53 HB VAL 53 6.740 9.725 -8.709 370 1HG1 VAL 53 1HG1 VAL 53 4.871 10.803 -9.966 371 2HG1 VAL 53 2HG1 VAL 53 4.806 9.043 -10.031 372 3HG1 VAL 53 3HG1 VAL 53 3.710 9.929 -8.947 373 1HG2 VAL 53 1HG2 VAL 53 5.883 11.995 -8.181 374 2HG2 VAL 53 2HG2 VAL 53 4.759 11.297 -6.998 375 3HG2 VAL 53 3HG2 VAL 53 6.512 11.213 -6.730 376 H LYS 54 H LYS 54 7.432 6.904 -7.629 377 HA LYS 54 HA LYS 54 6.129 5.408 -9.776 378 1HB LYS 54 1HB LYS 54 8.552 4.676 -8.101 379 2HB LYS 54 2HB LYS 54 8.047 3.917 -9.619 380 1HG LYS 54 1HG LYS 54 8.318 6.150 -10.766 381 2HG LYS 54 2HG LYS 54 8.986 6.792 -9.263 382 1HD LYS 54 1HD LYS 54 10.143 4.577 -11.011 383 2HD LYS 54 2HD LYS 54 10.815 6.185 -10.704 384 1HE LYS 54 1HE LYS 54 10.965 5.482 -8.221 385 2HE LYS 54 2HE LYS 54 10.611 3.836 -8.769 386 1HZ LYS 54 1HZ LYS 54 12.877 5.473 -9.653 387 2HZ LYS 54 2HZ LYS 54 12.939 4.210 -8.600 388 3HZ LYS 54 3HZ LYS 54 12.532 3.947 -10.172 389 H ILE 55 H ILE 55 6.820 4.851 -6.343 390 HA ILE 55 HA ILE 55 5.575 2.213 -6.307 391 HB ILE 55 HB ILE 55 5.987 2.253 -3.938 392 1HG1 ILE 55 1HG1 ILE 55 7.527 4.837 -4.544 393 2HG1 ILE 55 2HG1 ILE 55 6.029 4.722 -3.588 394 1HG2 ILE 55 1HG2 ILE 55 7.476 1.242 -5.648 395 2HG2 ILE 55 2HG2 ILE 55 8.396 2.764 -5.710 396 3HG2 ILE 55 3HG2 ILE 55 8.332 1.796 -4.215 397 1HD1 ILE 55 1HD1 ILE 55 7.294 2.943 -2.236 398 2HD1 ILE 55 2HD1 ILE 55 8.761 3.598 -2.998 399 3HD1 ILE 55 3HD1 ILE 55 7.754 4.657 -1.992 400 H SER 56 H SER 56 4.555 5.493 -5.449 401 HA SER 56 HA SER 56 2.232 4.623 -3.946 402 1HB SER 56 1HB SER 56 2.952 7.321 -5.109 403 2HB SER 56 2HB SER 56 1.671 7.014 -3.941 404 HG SER 56 HG SER 56 4.474 6.720 -3.658 405 H MET 57 H MET 57 0.257 4.153 -4.644 406 HA MET 57 HA MET 57 -0.439 3.962 -7.392 407 1HB MET 57 1HB MET 57 -1.382 2.679 -5.451 408 2HB MET 57 2HB MET 57 -2.242 4.132 -4.936 409 1HG MET 57 1HG MET 57 -2.607 2.923 -7.699 410 2HG MET 57 2HG MET 57 -3.502 2.354 -6.287 411 1HE MET 57 1HE MET 57 -5.688 2.631 -7.516 412 2HE MET 57 2HE MET 57 -6.280 4.138 -8.229 413 3HE MET 57 3HE MET 57 -4.896 3.297 -8.966 414 HA PRO 58 HA PRO 58 -0.778 8.418 -8.071 415 1HB PRO 58 1HB PRO 58 -2.978 7.464 -9.936 416 2HB PRO 58 2HB PRO 58 -1.795 8.781 -10.200 417 1HG PRO 58 1HG PRO 58 -1.314 6.332 -11.243 418 2HG PRO 58 2HG PRO 58 0.004 7.184 -10.383 419 1HD PRO 58 1HD PRO 58 -1.751 4.950 -9.358 420 2HD PRO 58 2HD PRO 58 0.009 5.224 -9.145 421 H GLU 59 H GLU 59 -1.603 9.437 -6.331 422 HA GLU 59 HA GLU 59 -3.724 8.949 -4.745 423 1HB GLU 59 1HB GLU 59 -2.771 11.756 -5.483 424 2HB GLU 59 2HB GLU 59 -3.637 11.259 -4.029 425 1HG GLU 59 1HG GLU 59 -1.533 11.235 -3.161 426 2HG GLU 59 2HG GLU 59 -1.577 9.573 -3.749 427 H GLU 60 H GLU 60 -3.931 10.783 -7.739 428 HA GLU 60 HA GLU 60 -6.561 11.820 -7.484 429 1HB GLU 60 1HB GLU 60 -4.573 11.315 -9.702 430 2HB GLU 60 2HB GLU 60 -6.264 11.373 -10.188 431 1HG GLU 60 1HG GLU 60 -5.298 13.599 -10.349 432 2HG GLU 60 2HG GLU 60 -6.610 13.550 -9.163 433 H GLU 61 H GLU 61 -5.408 8.625 -8.453 434 HA GLU 61 HA GLU 61 -8.098 7.673 -9.169 435 1HB GLU 61 1HB GLU 61 -5.341 6.376 -9.237 436 2HB GLU 61 2HB GLU 61 -6.838 5.688 -9.878 437 1HG GLU 61 1HG GLU 61 -7.041 7.545 -11.494 438 2HG GLU 61 2HG GLU 61 -5.549 8.262 -10.869 439 H LEU 62 H LEU 62 -8.932 5.768 -8.097 440 HA LEU 62 HA LEU 62 -7.729 5.081 -5.468 441 1HB LEU 62 1HB LEU 62 -10.646 5.941 -5.819 442 2HB LEU 62 2HB LEU 62 -9.888 5.286 -4.372 443 HG LEU 62 HG LEU 62 -8.280 7.401 -4.615 444 1HD1 LEU 62 1HD1 LEU 62 -9.395 8.243 -6.761 445 2HD1 LEU 62 2HD1 LEU 62 -10.899 8.404 -5.851 446 3HD1 LEU 62 3HD1 LEU 62 -9.485 9.384 -5.419 447 1HD2 LEU 62 1HD2 LEU 62 -9.789 8.598 -3.090 448 2HD2 LEU 62 2HD2 LEU 62 -11.138 7.543 -3.570 449 3HD2 LEU 62 3HD2 LEU 62 -9.740 6.864 -2.711 450 H LEU 63 H LEU 63 -8.164 3.088 -4.793 451 HA LEU 63 HA LEU 63 -9.335 1.089 -6.581 452 1HB LEU 63 1HB LEU 63 -8.272 0.835 -3.745 453 2HB LEU 63 2HB LEU 63 -8.607 -0.463 -4.896 454 HG LEU 63 HG LEU 63 -6.474 1.686 -5.293 455 1HD1 LEU 63 1HD1 LEU 63 -6.232 -1.203 -4.384 456 2HD1 LEU 63 2HD1 LEU 63 -4.889 -0.065 -4.656 457 3HD1 LEU 63 3HD1 LEU 63 -6.042 0.230 -3.344 458 1HD2 LEU 63 1HD2 LEU 63 -6.935 -0.967 -6.734 459 2HD2 LEU 63 2HD2 LEU 63 -7.311 0.630 -7.427 460 3HD2 LEU 63 3HD2 LEU 63 -5.642 0.195 -7.061 461 H ASN 64 H ASN 64 -11.477 1.701 -6.679 462 HA ASN 64 HA ASN 64 -13.040 2.022 -4.141 463 1HB ASN 64 1HB ASN 64 -12.903 3.901 -5.865 464 2HB ASN 64 2HB ASN 64 -13.894 2.889 -6.917 465 1HD2 ASN 64 1HD2 ASN 64 -16.519 3.211 -4.075 466 2HD2 ASN 64 2HD2 ASN 64 -15.548 1.806 -4.466 467 H ALA 65 H ALA 65 -13.049 0.381 -7.375 468 HA ALA 65 HA ALA 65 -15.551 -0.928 -6.783 469 1HB ALA 65 1HB ALA 65 -14.967 -0.484 -9.067 470 2HB ALA 65 2HB ALA 65 -13.500 -1.470 -8.949 471 3HB ALA 65 3HB ALA 65 -15.092 -2.236 -8.820 472 HA PRO 66 HA PRO 66 -13.875 -4.020 -4.024 473 1HB PRO 66 1HB PRO 66 -15.811 -5.869 -5.425 474 2HB PRO 66 2HB PRO 66 -15.520 -5.679 -3.672 475 1HG PRO 66 1HG PRO 66 -17.685 -4.533 -4.865 476 2HG PRO 66 2HG PRO 66 -16.754 -3.644 -3.630 477 1HD PRO 66 1HD PRO 66 -16.660 -3.317 -6.623 478 2HD PRO 66 2HD PRO 66 -16.587 -2.094 -5.313 479 H GLY 67 H GLY 67 -11.995 -5.342 -4.295 480 1HA GLY 67 1HA GLY 67 -10.823 -7.092 -5.220 481 2HA GLY 67 2HA GLY 67 -11.833 -7.105 -6.656 482 H GLU 68 H GLU 68 -11.085 -3.882 -6.681 483 HA GLU 68 HA GLU 68 -9.177 -4.138 -8.725 484 1HB GLU 68 1HB GLU 68 -9.665 -1.817 -6.819 485 2HB GLU 68 2HB GLU 68 -8.539 -1.756 -8.189 486 1HG GLU 68 1HG GLU 68 -10.358 -2.333 -9.757 487 2HG GLU 68 2HG GLU 68 -11.508 -2.300 -8.424 488 H THR 69 H THR 69 -7.075 -4.682 -8.813 489 HA THR 69 HA THR 69 -5.475 -4.961 -6.335 490 HB THR 69 HB THR 69 -4.082 -6.346 -7.992 491 HG1 THR 69 HG1 THR 69 -5.118 -5.400 -9.826 492 1HG2 THR 69 1HG2 THR 69 -6.920 -7.268 -7.421 493 2HG2 THR 69 2HG2 THR 69 -5.526 -8.302 -7.797 494 3HG2 THR 69 3HG2 THR 69 -5.540 -7.342 -6.298 495 OH TYR 70 OH TYR 70 1.941 2.002 -7.395 496 H TYR 70 H TYR 70 -3.954 -3.487 -5.969 497 HA TYR 70 HA TYR 70 -2.670 -2.038 -8.260 498 1HB TYR 70 1HB TYR 70 -3.577 -0.570 -6.527 499 2HB TYR 70 2HB TYR 70 -2.708 -1.429 -5.282 500 HD1 TYR 70 HD2 TYR 70 -2.067 0.266 -8.588 501 HD2 TYR 70 HD1 TYR 70 -0.628 -0.500 -4.592 502 HE1 TYR 70 HE2 TYR 70 -0.014 1.566 -9.071 503 HE2 TYR 70 HE1 TYR 70 1.404 0.823 -5.075 504 HH TYR 70 HH TYR 70 2.522 2.094 -6.633 505 H VAL 71 H VAL 71 -0.968 -3.253 -8.963 506 HA VAL 71 HA VAL 71 0.516 -4.894 -7.028 507 HB VAL 71 HB VAL 71 0.768 -4.873 -10.046 508 1HG1 VAL 71 1HG1 VAL 71 2.697 -5.859 -8.881 509 2HG1 VAL 71 2HG1 VAL 71 1.619 -6.816 -7.846 510 3HG1 VAL 71 3HG1 VAL 71 1.724 -7.155 -9.588 511 1HG2 VAL 71 1HG2 VAL 71 -1.538 -5.494 -9.512 512 2HG2 VAL 71 2HG2 VAL 71 -0.636 -6.956 -9.919 513 3HG2 VAL 71 3HG2 VAL 71 -0.983 -6.577 -8.220 514 H VAL 72 H VAL 72 2.685 -4.453 -6.476 515 HA VAL 72 HA VAL 72 4.165 -2.477 -8.090 516 HB VAL 72 HB VAL 72 2.929 -1.121 -6.487 517 1HG1 VAL 72 1HG1 VAL 72 4.488 -2.509 -4.267 518 2HG1 VAL 72 2HG1 VAL 72 3.359 -1.155 -4.121 519 3HG1 VAL 72 3HG1 VAL 72 2.760 -2.751 -4.615 520 1HG2 VAL 72 1HG2 VAL 72 5.083 -0.321 -7.277 521 2HG2 VAL 72 2HG2 VAL 72 4.839 0.137 -5.580 522 3HG2 VAL 72 3HG2 VAL 72 5.927 -1.202 -5.986 523 H THR 73 H THR 73 6.180 -3.067 -8.388 524 HA THR 73 HA THR 73 7.302 -5.388 -7.002 525 HB THR 73 HB THR 73 8.455 -3.744 -9.280 526 HG1 THR 73 HG1 THR 73 7.356 -5.151 -10.625 527 1HG2 THR 73 1HG2 THR 73 9.971 -5.410 -8.178 528 2HG2 THR 73 2HG2 THR 73 8.765 -6.675 -8.488 529 3HG2 THR 73 3HG2 THR 73 9.573 -5.866 -9.845 530 H LEU 74 H LEU 74 8.148 -4.800 -4.964 531 HA LEU 74 HA LEU 74 9.728 -2.264 -4.802 532 1HB LEU 74 1HB LEU 74 9.100 -4.256 -2.614 533 2HB LEU 74 2HB LEU 74 9.963 -2.712 -2.488 534 HG LEU 74 HG LEU 74 7.026 -3.118 -3.132 535 1HD1 LEU 74 1HD1 LEU 74 6.703 -1.822 -1.075 536 2HD1 LEU 74 2HD1 LEU 74 7.798 -3.174 -0.721 537 3HD1 LEU 74 3HD1 LEU 74 8.446 -1.538 -0.929 538 1HD2 LEU 74 1HD2 LEU 74 8.652 -0.536 -3.222 539 2HD2 LEU 74 2HD2 LEU 74 7.756 -1.274 -4.567 540 3HD2 LEU 74 3HD2 LEU 74 6.878 -0.611 -3.188 541 H ASP 75 H ASP 75 11.363 -2.709 -6.215 542 HA ASP 75 HA ASP 75 13.071 -5.009 -5.998 543 1HB ASP 75 1HB ASP 75 14.433 -3.979 -7.634 544 2HB ASP 75 2HB ASP 75 12.753 -3.652 -8.070 545 H THR 76 H THR 76 13.468 -1.626 -4.776 546 HA THR 76 HA THR 76 16.127 -2.194 -3.822 547 HB THR 76 HB THR 76 14.406 0.179 -3.067 548 HG1 THR 76 HG1 THR 76 15.518 -0.501 -5.572 549 1HG2 THR 76 1HG2 THR 76 16.655 0.067 -2.066 550 2HG2 THR 76 2HG2 THR 76 17.377 -0.105 -3.686 551 3HG2 THR 76 3HG2 THR 76 16.529 1.390 -3.239 552 H LYS 77 H LYS 77 16.704 -3.016 -1.860 553 HA LYS 77 HA LYS 77 14.779 -3.771 0.126 554 1HB LYS 77 1HB LYS 77 16.608 -4.527 1.412 555 2HB LYS 77 2HB LYS 77 16.943 -4.960 -0.251 556 1HG LYS 77 1HG LYS 77 18.170 -2.624 1.302 557 2HG LYS 77 2HG LYS 77 18.915 -4.188 1.048 558 1HD LYS 77 1HD LYS 77 18.335 -2.099 -1.094 559 2HD LYS 77 2HD LYS 77 19.890 -2.531 -0.419 560 1HE LYS 77 1HE LYS 77 18.172 -4.426 -2.101 561 2HE LYS 77 2HE LYS 77 19.622 -3.561 -2.620 562 1HZ LYS 77 1HZ LYS 77 19.495 -5.583 -0.502 563 2HZ LYS 77 2HZ LYS 77 20.121 -5.780 -2.010 564 3HZ LYS 77 3HZ LYS 77 20.852 -4.756 -0.947 565 H GLY 78 H GLY 78 14.614 -3.050 2.300 566 1HA GLY 78 1HA GLY 78 15.516 -1.218 3.852 567 2HA GLY 78 2HA GLY 78 14.895 -0.100 2.625 568 H THR 79 H THR 79 13.782 0.295 4.966 569 HA THR 79 HA THR 79 11.285 -1.266 5.171 570 HB THR 79 HB THR 79 12.054 0.863 7.143 571 HG1 THR 79 HG1 THR 79 13.335 -1.654 6.894 572 1HG2 THR 79 1HG2 THR 79 10.991 -1.998 7.424 573 2HG2 THR 79 2HG2 THR 79 11.110 -0.778 8.701 574 3HG2 THR 79 3HG2 THR 79 9.977 -0.554 7.343 575 OH TYR 80 OH TYR 80 11.878 -0.160 -2.346 576 H TYR 80 H TYR 80 9.608 -0.453 4.079 577 HA TYR 80 HA TYR 80 9.522 2.450 3.373 578 1HB TYR 80 1HB TYR 80 8.168 -0.009 2.210 579 2HB TYR 80 2HB TYR 80 7.793 1.633 1.741 580 HD1 TYR 80 HD1 TYR 80 10.820 -0.601 2.028 581 HD2 TYR 80 HD2 TYR 80 8.579 2.206 -0.346 582 HE1 TYR 80 HE1 TYR 80 12.290 -1.047 0.131 583 HE2 TYR 80 HE2 TYR 80 9.977 1.643 -2.305 584 HH TYR 80 HH TYR 80 12.496 -0.871 -2.137 585 H SER 81 H SER 81 7.915 3.692 4.265 586 HA SER 81 HA SER 81 5.709 2.313 5.769 587 1HB SER 81 1HB SER 81 6.578 5.209 5.859 588 2HB SER 81 2HB SER 81 5.423 4.392 6.930 589 HG SER 81 HG SER 81 8.171 3.726 6.598 590 H PHE 82 H PHE 82 3.533 2.602 5.116 591 HA PHE 82 HA PHE 82 2.997 4.553 2.977 592 1HB PHE 82 1HB PHE 82 1.810 2.881 1.609 593 2HB PHE 82 2HB PHE 82 3.492 2.569 1.702 594 HD1 PHE 82 HD2 PHE 82 0.168 1.589 3.070 595 HD2 PHE 82 HD1 PHE 82 4.276 0.298 2.536 596 HE1 PHE 82 HE2 PHE 82 -0.352 -0.583 4.097 597 HE2 PHE 82 HE1 PHE 82 3.694 -1.865 3.517 598 HZ PHE 82 HZ PHE 82 1.403 -2.296 4.375 599 OH TYR 83 OH TYR 83 1.376 10.420 1.848 600 H TYR 83 H TYR 83 0.659 4.613 2.447 601 HA TYR 83 HA TYR 83 -1.141 3.896 4.620 602 1HB TYR 83 1HB TYR 83 -1.744 6.278 5.133 603 2HB TYR 83 2HB TYR 83 -0.110 5.843 5.623 604 HD1 TYR 83 HD2 TYR 83 -2.095 7.827 3.203 605 HD2 TYR 83 HD1 TYR 83 1.867 6.787 4.540 606 HE1 TYR 83 HE2 TYR 83 -1.165 9.788 1.996 607 HE2 TYR 83 HE1 TYR 83 2.797 8.674 3.253 608 HH TYR 83 HH TYR 83 2.335 10.434 1.825 609 H CYS 84 H CYS 84 -3.347 4.538 4.274 610 HA CYS 84 HA CYS 84 -4.066 4.674 1.363 611 1HB CYS 84 1HB CYS 84 -5.177 2.832 2.500 612 2HB CYS 84 2HB CYS 84 -5.506 3.857 3.909 613 H SER 85 H SER 85 -3.951 6.785 0.822 614 HA SER 85 HA SER 85 -4.175 8.849 2.581 615 1HB SER 85 1HB SER 85 -4.777 10.376 0.598 616 2HB SER 85 2HB SER 85 -3.221 9.559 0.696 617 HG SER 85 HG SER 85 -4.157 7.884 -0.667 618 HA PRO 86 HA PRO 86 -8.974 9.515 1.775 619 1HB PRO 86 1HB PRO 86 -9.555 6.547 1.641 620 2HB PRO 86 2HB PRO 86 -10.510 7.901 0.976 621 1HG PRO 86 1HG PRO 86 -8.867 6.445 -0.632 622 2HG PRO 86 2HG PRO 86 -8.948 8.230 -0.783 623 1HD PRO 86 1HD PRO 86 -6.803 6.570 0.490 624 2HD PRO 86 2HD PRO 86 -6.717 8.079 -0.451 625 H HIS 87 H HIS 87 -7.242 7.123 3.743 626 HA HIS 87 HA HIS 87 -9.016 7.772 6.050 627 1HB HIS 87 1HB HIS 87 -8.057 5.016 5.256 628 2HB HIS 87 2HB HIS 87 -8.976 5.403 6.705 629 HD2 HIS 87 HD2 HIS 87 -11.491 6.762 5.986 630 HE1 HIS 87 HE1 HIS 87 -12.064 4.091 2.732 631 HE2 HIS 87 HE2 HIS 87 -13.195 5.760 4.271 632 H GLN 88 H GLN 88 -6.083 8.469 5.001 633 HA GLN 88 HA GLN 88 -4.353 7.208 6.857 634 1HB GLN 88 1HB GLN 88 -2.773 8.862 6.283 635 2HB GLN 88 2HB GLN 88 -3.651 8.383 4.838 636 1HG GLN 88 1HG GLN 88 -5.040 10.514 5.096 637 2HG GLN 88 2HG GLN 88 -3.933 10.996 6.386 638 1HE2 GLN 88 1HE2 GLN 88 -1.144 11.518 4.144 639 2HE2 GLN 88 2HE2 GLN 88 -1.517 10.986 5.772 640 H GLY 89 H GLY 89 -6.342 10.145 7.069 641 1HA GLY 89 1HA GLY 89 -5.538 11.085 9.612 642 2HA GLY 89 2HA GLY 89 -7.131 11.329 8.870 643 H ALA 90 H ALA 90 -7.645 8.373 8.685 644 HA ALA 90 HA ALA 90 -8.618 7.968 11.439 645 1HB ALA 90 1HB ALA 90 -9.136 6.388 8.894 646 2HB ALA 90 2HB ALA 90 -9.981 6.221 10.443 647 3HB ALA 90 3HB ALA 90 -10.149 7.717 9.505 648 H GLY 91 H GLY 91 -5.657 7.486 10.181 649 1HA GLY 91 1HA GLY 91 -3.952 6.233 10.986 650 2HA GLY 91 2HA GLY 91 -5.067 5.309 11.998 651 H MET 92 H MET 92 -5.862 5.427 8.537 652 HA MET 92 HA MET 92 -5.257 2.562 8.416 653 1HB MET 92 1HB MET 92 -7.293 3.530 7.371 654 2HB MET 92 2HB MET 92 -6.244 4.309 6.161 655 1HG MET 92 1HG MET 92 -5.425 2.137 5.409 656 2HG MET 92 2HG MET 92 -6.169 1.333 6.781 657 1HE MET 92 1HE MET 92 -7.910 -0.472 3.978 658 2HE MET 92 2HE MET 92 -6.253 0.174 3.894 659 3HE MET 92 3HE MET 92 -6.862 -0.529 5.404 660 H VAL 93 H VAL 93 -3.036 2.837 8.899 661 HA VAL 93 HA VAL 93 -1.299 3.555 6.591 662 HB VAL 93 HB VAL 93 0.425 4.165 8.116 663 1HG1 VAL 93 1HG1 VAL 93 -1.352 5.880 7.531 664 2HG1 VAL 93 2HG1 VAL 93 -2.141 5.514 9.071 665 3HG1 VAL 93 3HG1 VAL 93 -0.502 6.183 9.055 666 1HG2 VAL 93 1HG2 VAL 93 -0.052 2.581 9.942 667 2HG2 VAL 93 2HG2 VAL 93 0.052 4.244 10.549 668 3HG2 VAL 93 3HG2 VAL 93 -1.537 3.478 10.339 669 H GLY 94 H GLY 94 0.877 2.302 6.674 670 1HA GLY 94 1HA GLY 94 0.906 -0.250 7.998 671 2HA GLY 94 2HA GLY 94 0.523 -0.417 6.284 672 H LYS 95 H LYS 95 2.841 -1.593 6.857 673 HA LYS 95 HA LYS 95 4.922 0.170 5.816 674 1HB LYS 95 1HB LYS 95 4.773 0.621 8.272 675 2HB LYS 95 2HB LYS 95 5.091 -1.077 8.604 676 1HG LYS 95 1HG LYS 95 7.379 -0.847 7.852 677 2HG LYS 95 2HG LYS 95 7.030 0.730 7.099 678 1HD LYS 95 1HD LYS 95 6.568 1.764 9.246 679 2HD LYS 95 2HD LYS 95 6.744 0.215 10.086 680 1HE LYS 95 1HE LYS 95 8.718 1.656 10.364 681 2HE LYS 95 2HE LYS 95 9.125 0.146 9.540 682 1HZ LYS 95 1HZ LYS 95 8.615 2.733 8.225 683 2HZ LYS 95 2HZ LYS 95 10.114 2.109 8.526 684 3HZ LYS 95 3HZ LYS 95 9.097 1.352 7.470 685 H VAL 96 H VAL 96 6.817 -1.086 5.111 686 HA VAL 96 HA VAL 96 6.513 -4.013 5.234 687 HB VAL 96 HB VAL 96 5.157 -3.484 3.379 688 1HG1 VAL 96 1HG1 VAL 96 7.513 -2.125 2.019 689 2HG1 VAL 96 2HG1 VAL 96 5.872 -2.318 1.381 690 3HG1 VAL 96 3HG1 VAL 96 6.156 -1.236 2.752 691 1HG2 VAL 96 1HG2 VAL 96 7.782 -4.520 2.313 692 2HG2 VAL 96 2HG2 VAL 96 6.578 -5.478 3.224 693 3HG2 VAL 96 3HG2 VAL 96 6.151 -4.763 1.656 694 H THR 97 H THR 97 8.333 -5.059 5.289 695 HA THR 97 HA THR 97 10.883 -3.545 5.239 696 HB THR 97 HB THR 97 10.492 -6.324 6.356 697 HG1 THR 97 HG1 THR 97 8.862 -5.165 7.292 698 1HG2 THR 97 1HG2 THR 97 12.789 -5.400 6.246 699 2HG2 THR 97 2HG2 THR 97 12.252 -3.990 7.188 700 3HG2 THR 97 3HG2 THR 97 12.215 -5.607 7.913 701 H VAL 98 H VAL 98 11.501 -3.527 3.007 702 HA VAL 98 HA VAL 98 11.372 -5.993 1.480 703 HB VAL 98 HB VAL 98 12.645 -3.334 0.785 704 1HG1 VAL 98 1HG1 VAL 98 12.361 -4.151 -1.529 705 2HG1 VAL 98 2HG1 VAL 98 13.326 -5.321 -0.614 706 3HG1 VAL 98 3HG1 VAL 98 11.617 -5.647 -0.940 707 1HG2 VAL 98 1HG2 VAL 98 10.237 -3.016 1.315 708 2HG2 VAL 98 2HG2 VAL 98 10.548 -2.882 -0.410 709 3HG2 VAL 98 3HG2 VAL 98 9.828 -4.366 0.236 710 H ASN 99 H ASN 99 12.963 -7.518 1.655 711 HA ASN 99 HA ASN 99 15.751 -6.781 2.357 712 1HB ASN 99 1HB ASN 99 15.792 -8.170 4.319 713 2HB ASN 99 2HB ASN 99 14.457 -7.032 4.531 714 1HD2 ASN 99 1HD2 ASN 99 11.941 -9.632 4.232 715 2HD2 ASN 99 2HD2 ASN 99 12.167 -7.903 4.004 Start of MODEL 14 Raw file had 715 H/Q atoms Start of MODEL 14 1 H LEU 1 H LEU 1 2.894 -10.274 -3.584 2 HA LEU 1 HA LEU 1 1.974 -11.944 -1.300 3 1HB LEU 1 1HB LEU 1 4.107 -10.931 -0.851 4 2HB LEU 1 2HB LEU 1 3.414 -9.310 -1.100 5 HG LEU 1 HG LEU 1 3.874 -9.837 1.221 6 1HD1 LEU 1 1HD1 LEU 1 1.876 -9.050 2.224 7 2HD1 LEU 1 2HD1 LEU 1 1.989 -8.317 0.613 8 3HD1 LEU 1 3HD1 LEU 1 0.867 -9.664 0.916 9 1HD2 LEU 1 1HD2 LEU 1 2.704 -11.460 2.513 10 2HD2 LEU 1 2HD2 LEU 1 1.752 -12.001 1.110 11 3HD2 LEU 1 3HD2 LEU 1 3.511 -12.280 1.163 12 H GLU 2 H GLU 2 0.031 -11.621 -0.907 13 HA GLU 2 HA GLU 2 -1.562 -9.462 -2.178 14 1HB GLU 2 1HB GLU 2 -2.409 -12.055 -0.848 15 2HB GLU 2 2HB GLU 2 -3.530 -10.819 -1.449 16 1HG GLU 2 1HG GLU 2 -2.500 -10.947 -3.697 17 2HG GLU 2 2HG GLU 2 -1.434 -12.251 -3.145 18 H VAL 3 H VAL 3 -2.060 -7.693 -1.144 19 HA VAL 3 HA VAL 3 -2.323 -7.724 1.838 20 HB VAL 3 HB VAL 3 -1.658 -5.375 0.038 21 1HG1 VAL 3 1HG1 VAL 3 -1.700 -5.746 3.066 22 2HG1 VAL 3 2HG1 VAL 3 -1.089 -4.305 2.242 23 3HG1 VAL 3 3HG1 VAL 3 -2.806 -4.733 2.115 24 1HG2 VAL 3 1HG2 VAL 3 0.231 -6.919 0.029 25 2HG2 VAL 3 2HG2 VAL 3 0.603 -5.471 0.970 26 3HG2 VAL 3 3HG2 VAL 3 0.210 -6.985 1.811 27 H LEU 4 H LEU 4 -4.415 -7.630 2.467 28 HA LEU 4 HA LEU 4 -6.464 -6.739 0.522 29 1HB LEU 4 1HB LEU 4 -6.746 -7.853 3.323 30 2HB LEU 4 2HB LEU 4 -8.039 -7.570 2.173 31 HG LEU 4 HG LEU 4 -5.776 -9.605 1.939 32 1HD1 LEU 4 1HD1 LEU 4 -7.606 -11.236 2.103 33 2HD1 LEU 4 2HD1 LEU 4 -7.604 -10.161 3.513 34 3HD1 LEU 4 3HD1 LEU 4 -8.796 -9.921 2.217 35 1HD2 LEU 4 1HD2 LEU 4 -7.976 -8.915 -0.061 36 2HD2 LEU 4 2HD2 LEU 4 -6.216 -8.845 -0.322 37 3HD2 LEU 4 3HD2 LEU 4 -7.010 -10.405 -0.107 38 H LEU 5 H LEU 5 -7.082 -4.592 0.444 39 HA LEU 5 HA LEU 5 -6.472 -2.810 2.678 40 1HB LEU 5 1HB LEU 5 -8.208 -2.358 0.227 41 2HB LEU 5 2HB LEU 5 -7.716 -1.182 1.449 42 HG LEU 5 HG LEU 5 -6.397 -0.615 -0.204 43 1HD1 LEU 5 1HD1 LEU 5 -4.116 -1.171 0.240 44 2HD1 LEU 5 2HD1 LEU 5 -5.041 -0.975 1.743 45 3HD1 LEU 5 3HD1 LEU 5 -4.601 -2.612 1.166 46 1HD2 LEU 5 1HD2 LEU 5 -5.692 -3.370 -1.084 47 2HD2 LEU 5 2HD2 LEU 5 -7.011 -2.351 -1.754 48 3HD2 LEU 5 3HD2 LEU 5 -5.353 -1.792 -1.864 49 H GLY 6 H GLY 6 -7.667 -3.070 4.522 50 1HA GLY 6 1HA GLY 6 -9.585 -2.665 5.732 51 2HA GLY 6 2HA GLY 6 -10.619 -3.031 4.355 52 H SER 7 H SER 7 -10.388 -4.147 7.208 53 HA SER 7 HA SER 7 -9.698 -6.940 6.823 54 1HB SER 7 1HB SER 7 -10.451 -7.075 9.200 55 2HB SER 7 2HB SER 7 -9.233 -5.813 8.956 56 HG SER 7 HG SER 7 -10.933 -4.276 8.897 57 H GLY 8 H GLY 8 -11.250 -8.530 7.176 58 1HA GLY 8 1HA GLY 8 -13.569 -8.484 5.550 59 2HA GLY 8 2HA GLY 8 -13.259 -9.684 6.814 60 H ASP 9 H ASP 9 -13.183 -7.757 8.995 61 HA ASP 9 HA ASP 9 -16.026 -7.577 9.562 62 1HB ASP 9 1HB ASP 9 -15.312 -6.769 11.739 63 2HB ASP 9 2HB ASP 9 -14.377 -8.197 11.283 64 H GLY 10 H GLY 10 -14.040 -5.540 7.734 65 1HA GLY 10 1HA GLY 10 -14.893 -3.630 6.707 66 2HA GLY 10 2HA GLY 10 -15.933 -3.278 8.084 67 H SER 11 H SER 11 -13.335 -3.858 9.872 68 HA SER 11 HA SER 11 -12.736 -1.139 10.213 69 1HB SER 11 1HB SER 11 -12.383 -2.761 11.960 70 2HB SER 11 2HB SER 11 -11.008 -3.483 11.092 71 HG SER 11 HG SER 11 -10.407 -1.873 12.661 72 H LEU 12 H LEU 12 -11.362 0.208 9.411 73 HA LEU 12 HA LEU 12 -10.170 -0.226 6.828 74 1HB LEU 12 1HB LEU 12 -10.137 2.130 8.772 75 2HB LEU 12 2HB LEU 12 -9.634 2.225 7.087 76 HG LEU 12 HG LEU 12 -12.470 1.457 7.931 77 1HD1 LEU 12 1HD1 LEU 12 -11.307 4.163 7.175 78 2HD1 LEU 12 2HD1 LEU 12 -13.042 3.798 7.320 79 3HD1 LEU 12 3HD1 LEU 12 -11.991 3.699 8.742 80 1HD2 LEU 12 1HD2 LEU 12 -12.988 2.074 5.588 81 2HD2 LEU 12 2HD2 LEU 12 -11.264 2.363 5.278 82 3HD2 LEU 12 3HD2 LEU 12 -11.841 0.728 5.658 83 H VAL 13 H VAL 13 -8.772 -1.991 7.799 84 HA VAL 13 HA VAL 13 -6.106 -0.821 8.474 85 HB VAL 13 HB VAL 13 -6.915 -3.631 9.184 86 1HG1 VAL 13 1HG1 VAL 13 -4.561 -3.020 9.353 87 2HG1 VAL 13 2HG1 VAL 13 -4.976 -1.634 10.390 88 3HG1 VAL 13 3HG1 VAL 13 -5.235 -3.297 10.963 89 1HG2 VAL 13 1HG2 VAL 13 -7.485 -2.829 11.509 90 2HG2 VAL 13 2HG2 VAL 13 -7.490 -1.162 10.894 91 3HG2 VAL 13 3HG2 VAL 13 -8.677 -2.351 10.304 92 H PHE 14 H PHE 14 -4.347 -1.827 7.479 93 HA PHE 14 HA PHE 14 -4.869 -3.146 4.861 94 1HB PHE 14 1HB PHE 14 -2.395 -2.086 6.293 95 2HB PHE 14 2HB PHE 14 -2.277 -3.134 4.900 96 HD1 PHE 14 HD1 PHE 14 -3.280 0.248 6.036 97 HD2 PHE 14 HD2 PHE 14 -2.506 -2.331 2.661 98 HE1 PHE 14 HE1 PHE 14 -2.929 2.215 4.568 99 HE2 PHE 14 HE2 PHE 14 -2.004 -0.378 1.291 100 HZ PHE 14 HZ PHE 14 -2.387 1.917 2.168 101 H VAL 15 H VAL 15 -4.768 -5.418 4.729 102 HA VAL 15 HA VAL 15 -3.617 -6.862 7.100 103 HB VAL 15 HB VAL 15 -5.899 -7.700 5.319 104 1HG1 VAL 15 1HG1 VAL 15 -4.595 -9.623 6.172 105 2HG1 VAL 15 2HG1 VAL 15 -4.702 -8.968 7.821 106 3HG1 VAL 15 3HG1 VAL 15 -6.165 -9.513 6.976 107 1HG2 VAL 15 1HG2 VAL 15 -5.857 -6.653 8.176 108 2HG2 VAL 15 2HG2 VAL 15 -6.626 -5.879 6.770 109 3HG2 VAL 15 3HG2 VAL 15 -7.256 -7.409 7.386 110 HA PRO 16 HA PRO 16 -1.680 -7.654 7.544 111 1HB PRO 16 1HB PRO 16 0.983 -7.648 7.170 112 2HB PRO 16 2HB PRO 16 0.018 -9.147 7.071 113 1HG PRO 16 1HG PRO 16 0.908 -7.384 4.760 114 2HG PRO 16 2HG PRO 16 1.140 -9.151 4.929 115 1HD PRO 16 1HD PRO 16 -0.941 -8.109 3.535 116 2HD PRO 16 2HD PRO 16 -1.175 -9.560 4.538 117 H SER 17 H SER 17 -0.560 -5.889 8.656 118 HA SER 17 HA SER 17 -0.726 -3.283 7.302 119 1HB SER 17 1HB SER 17 -0.371 -2.620 9.772 120 2HB SER 17 2HB SER 17 -1.870 -3.493 9.387 121 HG SER 17 HG SER 17 -0.841 -4.451 11.190 122 H GLU 18 H GLU 18 1.408 -5.001 9.506 123 HA GLU 18 HA GLU 18 3.848 -3.709 8.373 124 1HB GLU 18 1HB GLU 18 2.943 -4.170 11.059 125 2HB GLU 18 2HB GLU 18 4.333 -5.220 10.806 126 1HG GLU 18 1HG GLU 18 4.298 -2.246 10.130 127 2HG GLU 18 2HG GLU 18 4.826 -2.892 11.691 128 H PHE 19 H PHE 19 5.167 -5.000 7.146 129 HA PHE 19 HA PHE 19 5.422 -7.836 7.681 130 1HB PHE 19 1HB PHE 19 4.514 -8.746 5.678 131 2HB PHE 19 2HB PHE 19 3.264 -7.822 6.457 132 HD1 PHE 19 HD1 PHE 19 2.935 -5.308 5.606 133 HD2 PHE 19 HD2 PHE 19 4.710 -8.537 3.339 134 HE1 PHE 19 HE1 PHE 19 2.309 -4.196 3.497 135 HE2 PHE 19 HE2 PHE 19 4.248 -7.297 1.245 136 HZ PHE 19 HZ PHE 19 3.022 -5.142 1.319 137 H SER 20 H SER 20 6.641 -8.817 5.472 138 HA SER 20 HA SER 20 8.570 -6.870 4.509 139 1HB SER 20 1HB SER 20 10.493 -8.301 5.270 140 2HB SER 20 2HB SER 20 9.603 -7.597 6.631 141 HG SER 20 HG SER 20 8.472 -9.604 6.787 142 H VAL 21 H VAL 21 9.865 -7.759 2.733 143 HA VAL 21 HA VAL 21 8.980 -10.309 1.584 144 HB VAL 21 HB VAL 21 8.369 -9.232 -0.562 145 1HG1 VAL 21 1HG1 VAL 21 6.518 -8.266 1.619 146 2HG1 VAL 21 2HG1 VAL 21 6.114 -8.644 -0.062 147 3HG1 VAL 21 3HG1 VAL 21 6.601 -9.948 1.034 148 1HG2 VAL 21 1HG2 VAL 21 8.350 -6.605 0.975 149 2HG2 VAL 21 2HG2 VAL 21 9.446 -7.037 -0.356 150 3HG2 VAL 21 3HG2 VAL 21 7.717 -6.859 -0.660 151 HA PRO 22 HA PRO 22 13.156 -9.928 0.142 152 1HB PRO 22 1HB PRO 22 13.305 -11.675 -1.943 153 2HB PRO 22 2HB PRO 22 13.069 -12.210 -0.252 154 1HG PRO 22 1HG PRO 22 10.934 -11.780 -2.364 155 2HG PRO 22 2HG PRO 22 11.170 -13.221 -1.332 156 1HD PRO 22 1HD PRO 22 9.380 -11.281 -0.674 157 2HD PRO 22 2HD PRO 22 10.354 -12.086 0.585 158 H SER 23 H SER 23 14.378 -8.719 -1.411 159 HA SER 23 HA SER 23 13.223 -6.749 -2.979 160 1HB SER 23 1HB SER 23 15.794 -8.318 -3.394 161 2HB SER 23 2HB SER 23 15.413 -6.825 -4.258 162 HG SER 23 HG SER 23 15.495 -5.685 -2.434 163 H GLY 24 H GLY 24 11.942 -6.825 -4.722 164 1HA GLY 24 1HA GLY 24 11.641 -7.316 -7.038 165 2HA GLY 24 2HA GLY 24 12.321 -8.929 -6.822 166 H GLU 25 H GLU 25 10.425 -8.689 -4.124 167 HA GLU 25 HA GLU 25 8.407 -10.367 -5.205 168 1HB GLU 25 1HB GLU 25 9.252 -10.001 -2.751 169 2HB GLU 25 2HB GLU 25 7.990 -8.758 -2.692 170 1HG GLU 25 1HG GLU 25 7.674 -11.747 -3.316 171 2HG GLU 25 2HG GLU 25 7.248 -10.969 -1.788 172 H LYS 26 H LYS 26 6.390 -9.965 -6.018 173 HA LYS 26 HA LYS 26 5.649 -7.219 -6.748 174 1HB LYS 26 1HB LYS 26 4.550 -9.949 -7.534 175 2HB LYS 26 2HB LYS 26 4.069 -8.375 -8.183 176 1HG LYS 26 1HG LYS 26 6.456 -8.022 -8.952 177 2HG LYS 26 2HG LYS 26 6.857 -9.632 -8.359 178 1HD LYS 26 1HD LYS 26 6.533 -9.822 -10.699 179 2HD LYS 26 2HD LYS 26 5.133 -10.595 -9.938 180 1HE LYS 26 1HE LYS 26 3.759 -8.586 -10.402 181 2HE LYS 26 2HE LYS 26 5.187 -7.729 -11.015 182 1HZ LYS 26 1HZ LYS 26 3.856 -8.613 -12.768 183 2HZ LYS 26 2HZ LYS 26 5.330 -9.347 -12.758 184 3HZ LYS 26 3HZ LYS 26 4.006 -10.147 -12.188 185 H ILE 27 H ILE 27 4.571 -6.185 -5.103 186 HA ILE 27 HA ILE 27 2.830 -7.691 -3.291 187 HB ILE 27 HB ILE 27 3.330 -4.706 -3.420 188 1HG1 ILE 27 1HG1 ILE 27 4.789 -6.834 -1.773 189 2HG1 ILE 27 2HG1 ILE 27 5.484 -5.941 -3.133 190 1HG2 ILE 27 1HG2 ILE 27 2.345 -6.518 -1.171 191 2HG2 ILE 27 2HG2 ILE 27 2.546 -4.758 -1.077 192 3HG2 ILE 27 3HG2 ILE 27 1.315 -5.436 -2.130 193 1HD1 ILE 27 1HD1 ILE 27 5.119 -3.799 -1.898 194 2HD1 ILE 27 2HD1 ILE 27 4.668 -4.758 -0.468 195 3HD1 ILE 27 3HD1 ILE 27 6.283 -4.919 -1.162 196 H VAL 28 H VAL 28 0.626 -7.685 -3.424 197 HA VAL 28 HA VAL 28 -0.744 -6.197 -5.628 198 HB VAL 28 HB VAL 28 -1.294 -8.978 -4.515 199 1HG1 VAL 28 1HG1 VAL 28 -2.645 -7.412 -6.760 200 2HG1 VAL 28 2HG1 VAL 28 -2.941 -9.118 -6.373 201 3HG1 VAL 28 3HG1 VAL 28 -3.384 -7.865 -5.210 202 1HG2 VAL 28 1HG2 VAL 28 -0.184 -8.126 -7.216 203 2HG2 VAL 28 2HG2 VAL 28 0.702 -9.000 -5.948 204 3HG2 VAL 28 3HG2 VAL 28 -0.661 -9.773 -6.763 205 H PHE 29 H PHE 29 -1.543 -4.483 -4.460 206 HA PHE 29 HA PHE 29 -2.839 -4.935 -1.839 207 1HB PHE 29 1HB PHE 29 -2.459 -2.454 -3.512 208 2HB PHE 29 2HB PHE 29 -3.241 -2.503 -1.942 209 HD1 PHE 29 HD1 PHE 29 -1.982 -2.942 0.126 210 HD2 PHE 29 HD2 PHE 29 -0.043 -2.510 -3.696 211 HE1 PHE 29 HE1 PHE 29 0.167 -2.439 1.280 212 HE2 PHE 29 HE2 PHE 29 2.136 -2.136 -2.517 213 HZ PHE 29 HZ PHE 29 2.224 -2.051 -0.056 214 H LYS 30 H LYS 30 -4.819 -5.922 -1.999 215 HA LYS 30 HA LYS 30 -6.614 -5.332 -4.307 216 1HB LYS 30 1HB LYS 30 -5.819 -7.661 -3.909 217 2HB LYS 30 2HB LYS 30 -6.599 -7.618 -2.327 218 1HG LYS 30 1HG LYS 30 -8.818 -7.302 -3.406 219 2HG LYS 30 2HG LYS 30 -8.022 -7.252 -4.988 220 1HD LYS 30 1HD LYS 30 -7.218 -9.586 -4.652 221 2HD LYS 30 2HD LYS 30 -7.973 -9.610 -3.050 222 1HE LYS 30 1HE LYS 30 -9.433 -10.745 -4.623 223 2HE LYS 30 2HE LYS 30 -10.211 -9.238 -4.117 224 1HZ LYS 30 1HZ LYS 30 -10.355 -9.597 -6.473 225 2HZ LYS 30 2HZ LYS 30 -9.461 -8.245 -6.177 226 3HZ LYS 30 3HZ LYS 30 -8.716 -9.649 -6.618 227 H ASN 31 H ASN 31 -8.529 -4.315 -4.029 228 HA ASN 31 HA ASN 31 -9.315 -3.223 -1.468 229 1HB ASN 31 1HB ASN 31 -10.532 -3.370 -4.260 230 2HB ASN 31 2HB ASN 31 -11.559 -2.961 -2.885 231 1HD2 ASN 31 1HD2 ASN 31 -10.744 0.338 -3.853 232 2HD2 ASN 31 2HD2 ASN 31 -11.822 -0.987 -4.269 233 H ASN 32 H ASN 32 -10.081 -4.453 0.190 234 HA ASN 32 HA ASN 32 -11.726 -6.859 -0.452 235 1HB ASN 32 1HB ASN 32 -9.886 -7.232 1.001 236 2HB ASN 32 2HB ASN 32 -10.326 -5.904 2.063 237 1HD2 ASN 32 1HD2 ASN 32 -11.970 -8.265 4.104 238 2HD2 ASN 32 2HD2 ASN 32 -10.711 -7.035 3.956 239 H ALA 33 H ALA 33 -11.781 -4.433 2.127 240 HA ALA 33 HA ALA 33 -14.653 -3.821 1.604 241 1HB ALA 33 1HB ALA 33 -13.564 -4.841 4.268 242 2HB ALA 33 2HB ALA 33 -15.223 -4.282 3.966 243 3HB ALA 33 3HB ALA 33 -14.623 -5.753 3.176 244 H GLY 34 H GLY 34 -15.364 -1.955 3.065 245 1HA GLY 34 1HA GLY 34 -15.063 0.176 3.834 246 2HA GLY 34 2HA GLY 34 -13.502 -0.354 4.470 247 H PHE 35 H PHE 35 -14.135 -0.591 1.039 248 HA PHE 35 HA PHE 35 -12.028 1.290 0.244 249 1HB PHE 35 1HB PHE 35 -12.657 0.475 -2.011 250 2HB PHE 35 2HB PHE 35 -12.334 -0.798 -0.879 251 HD1 PHE 35 HD2 PHE 35 -15.146 1.240 -2.253 252 HD2 PHE 35 HD1 PHE 35 -13.851 -2.522 -0.593 253 HE1 PHE 35 HE2 PHE 35 -17.471 0.342 -2.457 254 HE2 PHE 35 HE1 PHE 35 -16.196 -3.368 -0.662 255 HZ PHE 35 HZ PHE 35 -17.994 -1.950 -1.625 256 HA PRO 36 HA PRO 36 -12.362 2.448 -2.344 257 1HB PRO 36 1HB PRO 36 -12.080 5.385 -1.871 258 2HB PRO 36 2HB PRO 36 -12.019 4.567 -3.451 259 1HG PRO 36 1HG PRO 36 -14.257 5.877 -2.694 260 2HG PRO 36 2HG PRO 36 -14.465 4.188 -3.265 261 1HD PRO 36 1HD PRO 36 -14.182 5.145 -0.380 262 2HD PRO 36 2HD PRO 36 -15.456 4.117 -1.093 263 H HIS 37 H HIS 37 -10.062 2.720 -2.670 264 HA HIS 37 HA HIS 37 -8.484 3.608 -0.367 265 1HB HIS 37 1HB HIS 37 -8.430 0.783 -1.470 266 2HB HIS 37 2HB HIS 37 -7.301 1.322 -0.268 267 HD2 HIS 37 HD2 HIS 37 -10.048 -0.906 -0.488 268 HE1 HIS 37 HE1 HIS 37 -10.409 0.540 3.467 269 HE2 HIS 37 HE2 HIS 37 -10.942 -1.370 1.888 270 H ASN 38 H ASN 38 -6.107 3.284 -0.792 271 HA ASN 38 HA ASN 38 -5.135 2.877 -3.420 272 1HB ASN 38 1HB ASN 38 -4.299 5.070 -3.883 273 2HB ASN 38 2HB ASN 38 -6.037 5.243 -3.661 274 1HD2 ASN 38 1HD2 ASN 38 -4.148 7.963 -1.819 275 2HD2 ASN 38 2HD2 ASN 38 -4.201 7.430 -3.496 276 H VAL 39 H VAL 39 -2.601 3.609 -3.128 277 HA VAL 39 HA VAL 39 -1.783 3.204 -0.302 278 HB VAL 39 HB VAL 39 -0.686 1.583 -2.641 279 1HG1 VAL 39 1HG1 VAL 39 0.521 0.382 -0.861 280 2HG1 VAL 39 2HG1 VAL 39 0.955 2.092 -0.837 281 3HG1 VAL 39 3HG1 VAL 39 -0.181 1.449 0.370 282 1HG2 VAL 39 1HG2 VAL 39 -2.659 0.859 -0.435 283 2HG2 VAL 39 2HG2 VAL 39 -2.870 0.680 -2.190 284 3HG2 VAL 39 3HG2 VAL 39 -1.718 -0.337 -1.327 285 H VAL 40 H VAL 40 -0.670 5.011 0.095 286 HA VAL 40 HA VAL 40 1.138 6.086 -2.014 287 HB VAL 40 HB VAL 40 -0.344 7.569 0.192 288 1HG1 VAL 40 1HG1 VAL 40 1.572 8.527 -1.987 289 2HG1 VAL 40 2HG1 VAL 40 0.588 9.599 -0.973 290 3HG1 VAL 40 3HG1 VAL 40 1.843 8.592 -0.239 291 1HG2 VAL 40 1HG2 VAL 40 -1.492 8.695 -1.747 292 2HG2 VAL 40 2HG2 VAL 40 -0.742 7.508 -2.834 293 3HG2 VAL 40 3HG2 VAL 40 -1.889 6.978 -1.585 294 H PHE 41 H PHE 41 3.228 6.228 -1.456 295 HA PHE 41 HA PHE 41 4.011 5.081 1.162 296 1HB PHE 41 1HB PHE 41 5.448 5.575 -1.443 297 2HB PHE 41 2HB PHE 41 6.278 5.127 0.032 298 HD1 PHE 41 HD2 PHE 41 3.919 3.897 -2.528 299 HD2 PHE 41 HD1 PHE 41 5.968 2.966 1.121 300 HE1 PHE 41 HE2 PHE 41 3.366 1.490 -2.834 301 HE2 PHE 41 HE1 PHE 41 5.657 0.535 0.684 302 HZ PHE 41 HZ PHE 41 4.284 -0.200 -1.257 303 H ASP 42 H ASP 42 5.171 6.186 2.686 304 HA ASP 42 HA ASP 42 4.965 9.075 2.678 305 1HB ASP 42 1HB ASP 42 4.810 7.798 4.755 306 2HB ASP 42 2HB ASP 42 6.440 7.148 4.501 307 H GLU 43 H GLU 43 6.147 10.097 1.177 308 HA GLU 43 HA GLU 43 8.541 9.369 0.024 309 1HB GLU 43 1HB GLU 43 8.451 12.270 0.344 310 2HB GLU 43 2HB GLU 43 8.417 11.277 -1.102 311 1HG GLU 43 1HG GLU 43 6.442 12.577 -1.105 312 2HG GLU 43 2HG GLU 43 5.906 10.953 -0.698 313 H ASP 44 H ASP 44 8.146 10.816 3.208 314 HA ASP 44 HA ASP 44 11.058 11.293 3.486 315 1HB ASP 44 1HB ASP 44 8.723 11.832 5.362 316 2HB ASP 44 2HB ASP 44 10.407 12.291 5.640 317 H GLU 45 H GLU 45 9.333 8.488 3.631 318 HA GLU 45 HA GLU 45 11.211 7.329 5.540 319 1HB GLU 45 1HB GLU 45 9.188 8.223 6.832 320 2HB GLU 45 2HB GLU 45 8.255 6.921 6.082 321 1HG GLU 45 1HG GLU 45 9.698 5.250 7.145 322 2HG GLU 45 2HG GLU 45 10.833 6.506 7.671 323 H ILE 46 H ILE 46 11.679 6.862 3.220 324 HA ILE 46 HA ILE 46 11.109 4.082 2.659 325 HB ILE 46 HB ILE 46 10.741 4.611 0.223 326 1HG1 ILE 46 1HG1 ILE 46 10.154 7.449 1.158 327 2HG1 ILE 46 2HG1 ILE 46 11.556 6.942 0.213 328 1HG2 ILE 46 1HG2 ILE 46 8.442 5.651 1.898 329 2HG2 ILE 46 2HG2 ILE 46 8.410 4.856 0.313 330 3HG2 ILE 46 3HG2 ILE 46 8.878 3.947 1.734 331 1HD1 ILE 46 1HD1 ILE 46 10.015 7.854 -1.325 332 2HD1 ILE 46 2HD1 ILE 46 9.983 6.099 -1.570 333 3HD1 ILE 46 3HD1 ILE 46 8.662 6.904 -0.684 334 HA PRO 47 HA PRO 47 15.440 4.534 1.584 335 1HB PRO 47 1HB PRO 47 14.867 3.012 -0.967 336 2HB PRO 47 2HB PRO 47 16.143 2.722 0.246 337 1HG PRO 47 1HG PRO 47 13.949 1.142 0.166 338 2HG PRO 47 2HG PRO 47 14.566 1.722 1.739 339 1HD PRO 47 1HD PRO 47 12.271 2.887 0.130 340 2HD PRO 47 2HD PRO 47 12.345 2.464 1.864 341 H ALA 48 H ALA 48 15.857 6.627 1.008 342 HA ALA 48 HA ALA 48 14.637 8.451 -0.454 343 1HB ALA 48 1HB ALA 48 16.643 8.858 0.889 344 2HB ALA 48 2HB ALA 48 17.658 8.099 -0.360 345 3HB ALA 48 3HB ALA 48 16.793 9.612 -0.710 346 H GLY 49 H GLY 49 16.901 6.169 -2.027 347 1HA GLY 49 1HA GLY 49 17.010 7.378 -4.569 348 2HA GLY 49 2HA GLY 49 17.244 5.657 -4.233 349 H VAL 50 H VAL 50 14.420 5.352 -3.161 350 HA VAL 50 HA VAL 50 13.217 4.849 -5.785 351 HB VAL 50 HB VAL 50 12.179 4.178 -3.009 352 1HG1 VAL 50 1HG1 VAL 50 10.406 4.185 -4.719 353 2HG1 VAL 50 2HG1 VAL 50 11.429 3.240 -5.823 354 3HG1 VAL 50 3HG1 VAL 50 10.834 2.512 -4.326 355 1HG2 VAL 50 1HG2 VAL 50 14.339 3.048 -3.410 356 2HG2 VAL 50 2HG2 VAL 50 13.005 1.898 -3.534 357 3HG2 VAL 50 3HG2 VAL 50 13.777 2.513 -5.009 358 H ASP 51 H ASP 51 12.285 6.568 -6.738 359 HA ASP 51 HA ASP 51 11.161 8.827 -5.465 360 1HB ASP 51 1HB ASP 51 11.773 8.918 -7.787 361 2HB ASP 51 2HB ASP 51 10.706 7.562 -8.183 362 H ALA 52 H ALA 52 9.473 8.858 -4.147 363 HA ALA 52 HA ALA 52 7.688 6.899 -3.457 364 1HB ALA 52 1HB ALA 52 6.309 8.655 -2.484 365 2HB ALA 52 2HB ALA 52 8.028 8.990 -2.214 366 3HB ALA 52 3HB ALA 52 7.139 9.890 -3.459 367 H VAL 53 H VAL 53 7.314 9.299 -6.081 368 HA VAL 53 HA VAL 53 4.593 8.772 -6.669 369 HB VAL 53 HB VAL 53 6.798 9.768 -8.518 370 1HG1 VAL 53 1HG1 VAL 53 4.910 10.875 -9.728 371 2HG1 VAL 53 2HG1 VAL 53 4.851 9.117 -9.843 372 3HG1 VAL 53 3HG1 VAL 53 3.764 9.966 -8.722 373 1HG2 VAL 53 1HG2 VAL 53 4.821 11.271 -6.739 374 2HG2 VAL 53 2HG2 VAL 53 6.579 11.198 -6.498 375 3HG2 VAL 53 3HG2 VAL 53 5.921 12.020 -7.913 376 H LYS 54 H LYS 54 7.508 6.917 -7.514 377 HA LYS 54 HA LYS 54 6.164 5.464 -9.679 378 1HB LYS 54 1HB LYS 54 8.743 4.890 -8.165 379 2HB LYS 54 2HB LYS 54 8.148 3.992 -9.568 380 1HG LYS 54 1HG LYS 54 8.204 6.038 -10.948 381 2HG LYS 54 2HG LYS 54 8.792 6.970 -9.562 382 1HD LYS 54 1HD LYS 54 10.801 5.472 -9.436 383 2HD LYS 54 2HD LYS 54 10.212 4.595 -10.860 384 1HE LYS 54 1HE LYS 54 10.336 6.674 -12.207 385 2HE LYS 54 2HE LYS 54 10.903 7.572 -10.787 386 1HZ LYS 54 1HZ LYS 54 12.819 6.149 -10.728 387 2HZ LYS 54 2HZ LYS 54 12.290 5.311 -12.045 388 3HZ LYS 54 3HZ LYS 54 12.699 6.900 -12.189 389 H ILE 55 H ILE 55 6.914 4.888 -6.259 390 HA ILE 55 HA ILE 55 5.766 2.201 -6.269 391 HB ILE 55 HB ILE 55 6.113 2.244 -3.882 392 1HG1 ILE 55 1HG1 ILE 55 7.627 4.847 -4.461 393 2HG1 ILE 55 2HG1 ILE 55 6.107 4.715 -3.539 394 1HG2 ILE 55 1HG2 ILE 55 8.538 2.795 -5.622 395 2HG2 ILE 55 2HG2 ILE 55 8.474 1.834 -4.122 396 3HG2 ILE 55 3HG2 ILE 55 7.647 1.258 -5.563 397 1HD1 ILE 55 1HD1 ILE 55 7.821 4.700 -1.918 398 2HD1 ILE 55 2HD1 ILE 55 7.340 2.986 -2.128 399 3HD1 ILE 55 3HD1 ILE 55 8.831 3.603 -2.879 400 H SER 56 H SER 56 4.616 5.441 -5.416 401 HA SER 56 HA SER 56 2.274 4.479 -3.994 402 1HB SER 56 1HB SER 56 2.955 7.207 -5.117 403 2HB SER 56 2HB SER 56 1.644 6.859 -3.997 404 HG SER 56 HG SER 56 4.446 6.651 -3.612 405 H MET 57 H MET 57 0.201 4.301 -4.659 406 HA MET 57 HA MET 57 -0.524 3.834 -7.352 407 1HB MET 57 1HB MET 57 -1.800 2.990 -5.461 408 2HB MET 57 2HB MET 57 -2.097 4.633 -4.876 409 1HG MET 57 1HG MET 57 -4.085 3.720 -5.891 410 2HG MET 57 2HG MET 57 -3.527 5.111 -6.822 411 1HE MET 57 1HE MET 57 -5.750 2.952 -7.671 412 2HE MET 57 2HE MET 57 -5.304 4.385 -8.627 413 3HE MET 57 3HE MET 57 -5.343 2.780 -9.394 414 HA PRO 58 HA PRO 58 -0.149 8.180 -8.662 415 1HB PRO 58 1HB PRO 58 -2.163 7.192 -10.711 416 2HB PRO 58 2HB PRO 58 -0.774 8.292 -10.951 417 1HG PRO 58 1HG PRO 58 -0.528 5.672 -11.581 418 2HG PRO 58 2HG PRO 58 0.774 6.462 -10.639 419 1HD PRO 58 1HD PRO 58 -1.463 4.705 -9.609 420 2HD PRO 58 2HD PRO 58 0.283 4.690 -9.205 421 H GLU 59 H GLU 59 -1.104 9.425 -7.152 422 HA GLU 59 HA GLU 59 -3.460 9.204 -5.847 423 1HB GLU 59 1HB GLU 59 -1.892 11.740 -6.485 424 2HB GLU 59 2HB GLU 59 -3.215 11.640 -5.327 425 1HG GLU 59 1HG GLU 59 -1.275 11.451 -4.016 426 2HG GLU 59 2HG GLU 59 -1.975 9.831 -4.082 427 H GLU 60 H GLU 60 -3.204 10.544 -9.066 428 HA GLU 60 HA GLU 60 -5.594 12.030 -9.145 429 1HB GLU 60 1HB GLU 60 -3.732 11.960 -10.867 430 2HB GLU 60 2HB GLU 60 -4.367 10.393 -11.411 431 1HG GLU 60 1HG GLU 60 -6.530 11.491 -11.973 432 2HG GLU 60 2HG GLU 60 -5.901 13.035 -11.380 433 H GLU 61 H GLU 61 -5.016 8.532 -9.383 434 HA GLU 61 HA GLU 61 -7.934 8.003 -9.549 435 1HB GLU 61 1HB GLU 61 -7.079 5.797 -10.480 436 2HB GLU 61 2HB GLU 61 -7.026 7.199 -11.562 437 1HG GLU 61 1HG GLU 61 -4.631 7.443 -11.192 438 2HG GLU 61 2HG GLU 61 -4.637 6.164 -9.969 439 H LEU 62 H LEU 62 -8.609 6.097 -8.413 440 HA LEU 62 HA LEU 62 -6.902 5.100 -6.219 441 1HB LEU 62 1HB LEU 62 -9.618 6.457 -5.791 442 2HB LEU 62 2HB LEU 62 -8.752 5.486 -4.612 443 HG LEU 62 HG LEU 62 -6.792 7.273 -5.091 444 1HD1 LEU 62 1HD1 LEU 62 -8.210 8.617 -6.729 445 2HD1 LEU 62 2HD1 LEU 62 -9.371 8.890 -5.424 446 3HD1 LEU 62 3HD1 LEU 62 -7.722 9.533 -5.303 447 1HD2 LEU 62 1HD2 LEU 62 -7.559 8.457 -3.082 448 2HD2 LEU 62 2HD2 LEU 62 -9.170 7.723 -3.253 449 3HD2 LEU 62 3HD2 LEU 62 -7.756 6.707 -2.899 450 H LEU 63 H LEU 63 -7.880 3.193 -5.228 451 HA LEU 63 HA LEU 63 -9.294 1.511 -7.171 452 1HB LEU 63 1HB LEU 63 -8.498 0.951 -4.297 453 2HB LEU 63 2HB LEU 63 -8.992 -0.216 -5.532 454 HG LEU 63 HG LEU 63 -6.437 1.441 -5.596 455 1HD1 LEU 63 1HD1 LEU 63 -6.499 -0.223 -3.785 456 2HD1 LEU 63 2HD1 LEU 63 -6.995 -1.482 -4.934 457 3HD1 LEU 63 3HD1 LEU 63 -5.384 -0.753 -5.053 458 1HD2 LEU 63 1HD2 LEU 63 -7.345 -0.879 -7.365 459 2HD2 LEU 63 2HD2 LEU 63 -7.250 0.819 -7.887 460 3HD2 LEU 63 3HD2 LEU 63 -5.784 -0.055 -7.447 461 H ASN 64 H ASN 64 -11.341 2.402 -7.396 462 HA ASN 64 HA ASN 64 -12.864 3.358 -5.113 463 1HB ASN 64 1HB ASN 64 -14.559 3.941 -6.738 464 2HB ASN 64 2HB ASN 64 -12.965 4.576 -7.173 465 1HD2 ASN 64 1HD2 ASN 64 -14.633 3.157 -10.236 466 2HD2 ASN 64 2HD2 ASN 64 -15.114 4.355 -9.051 467 H ALA 65 H ALA 65 -13.452 0.749 -7.504 468 HA ALA 65 HA ALA 65 -15.722 -0.261 -5.990 469 1HB ALA 65 1HB ALA 65 -15.716 -1.951 -7.911 470 2HB ALA 65 2HB ALA 65 -15.722 -0.254 -8.421 471 3HB ALA 65 3HB ALA 65 -14.228 -1.202 -8.480 472 HA PRO 66 HA PRO 66 -13.650 -3.456 -3.614 473 1HB PRO 66 1HB PRO 66 -15.292 -5.647 -3.870 474 2HB PRO 66 2HB PRO 66 -15.715 -4.230 -2.883 475 1HG PRO 66 1HG PRO 66 -16.556 -4.803 -5.735 476 2HG PRO 66 2HG PRO 66 -17.602 -4.329 -4.361 477 1HD PRO 66 1HD PRO 66 -16.771 -2.492 -6.123 478 2HD PRO 66 2HD PRO 66 -16.740 -2.097 -4.391 479 H GLY 67 H GLY 67 -12.438 -5.530 -3.944 480 1HA GLY 67 1HA GLY 67 -11.446 -7.174 -5.184 481 2HA GLY 67 2HA GLY 67 -12.478 -6.801 -6.567 482 H GLU 68 H GLU 68 -11.727 -4.017 -6.843 483 HA GLU 68 HA GLU 68 -9.698 -4.056 -8.657 484 1HB GLU 68 1HB GLU 68 -10.331 -1.832 -6.673 485 2HB GLU 68 2HB GLU 68 -9.388 -1.616 -8.154 486 1HG GLU 68 1HG GLU 68 -12.309 -2.494 -8.026 487 2HG GLU 68 2HG GLU 68 -11.718 -0.884 -8.446 488 H THR 69 H THR 69 -7.506 -4.234 -8.740 489 HA THR 69 HA THR 69 -5.995 -4.463 -6.210 490 HB THR 69 HB THR 69 -4.459 -5.754 -7.856 491 HG1 THR 69 HG1 THR 69 -5.658 -6.574 -9.654 492 1HG2 THR 69 1HG2 THR 69 -7.220 -6.889 -7.268 493 2HG2 THR 69 2HG2 THR 69 -5.754 -7.821 -7.631 494 3HG2 THR 69 3HG2 THR 69 -5.843 -6.871 -6.139 495 OH TYR 70 OH TYR 70 1.978 1.902 -7.335 496 H TYR 70 H TYR 70 -3.968 -3.523 -6.046 497 HA TYR 70 HA TYR 70 -2.970 -1.802 -8.269 498 1HB TYR 70 1HB TYR 70 -3.717 -0.275 -6.506 499 2HB TYR 70 2HB TYR 70 -2.903 -1.224 -5.277 500 HD1 TYR 70 HD1 TYR 70 -2.040 0.281 -8.636 501 HD2 TYR 70 HD2 TYR 70 -0.896 -0.210 -4.501 502 HE1 TYR 70 HE1 TYR 70 0.104 1.421 -9.089 503 HE2 TYR 70 HE2 TYR 70 1.218 0.992 -4.953 504 HH TYR 70 HH TYR 70 2.539 2.004 -6.559 505 H VAL 71 H VAL 71 -1.213 -2.876 -9.023 506 HA VAL 71 HA VAL 71 0.257 -4.665 -7.188 507 HB VAL 71 HB VAL 71 0.411 -4.512 -10.213 508 1HG1 VAL 71 1HG1 VAL 71 2.378 -5.558 -9.168 509 2HG1 VAL 71 2HG1 VAL 71 1.331 -6.562 -8.145 510 3HG1 VAL 71 3HG1 VAL 71 1.374 -6.814 -9.905 511 1HG2 VAL 71 1HG2 VAL 71 -1.878 -5.156 -9.614 512 2HG2 VAL 71 2HG2 VAL 71 -0.993 -6.590 -10.144 513 3HG2 VAL 71 3HG2 VAL 71 -1.267 -6.312 -8.413 514 H VAL 72 H VAL 72 2.410 -4.288 -6.664 515 HA VAL 72 HA VAL 72 3.978 -2.362 -8.221 516 HB VAL 72 HB VAL 72 2.820 -0.877 -6.693 517 1HG1 VAL 72 1HG1 VAL 72 3.056 -0.984 -4.284 518 2HG1 VAL 72 2HG1 VAL 72 2.287 -2.470 -4.871 519 3HG1 VAL 72 3HG1 VAL 72 4.000 -2.481 -4.386 520 1HG2 VAL 72 1HG2 VAL 72 4.737 0.189 -5.617 521 2HG2 VAL 72 2HG2 VAL 72 5.720 -1.263 -5.835 522 3HG2 VAL 72 3HG2 VAL 72 5.155 -0.348 -7.255 523 H THR 73 H THR 73 6.171 -2.792 -8.076 524 HA THR 73 HA THR 73 6.930 -5.225 -6.511 525 HB THR 73 HB THR 73 8.156 -4.124 -9.071 526 HG1 THR 73 HG1 THR 73 5.969 -4.870 -9.308 527 1HG2 THR 73 1HG2 THR 73 9.664 -5.580 -7.737 528 2HG2 THR 73 2HG2 THR 73 8.384 -6.811 -7.655 529 3HG2 THR 73 3HG2 THR 73 9.128 -6.405 -9.214 530 H LEU 74 H LEU 74 8.450 -4.892 -4.931 531 HA LEU 74 HA LEU 74 9.956 -2.293 -4.959 532 1HB LEU 74 1HB LEU 74 9.345 -4.053 -2.575 533 2HB LEU 74 2HB LEU 74 10.118 -2.454 -2.619 534 HG LEU 74 HG LEU 74 7.204 -3.042 -3.273 535 1HD1 LEU 74 1HD1 LEU 74 7.833 -3.151 -0.852 536 2HD1 LEU 74 2HD1 LEU 74 8.504 -1.514 -0.968 537 3HD1 LEU 74 3HD1 LEU 74 6.766 -1.780 -1.211 538 1HD2 LEU 74 1HD2 LEU 74 6.983 -0.544 -3.319 539 2HD2 LEU 74 2HD2 LEU 74 8.753 -0.413 -3.236 540 3HD2 LEU 74 3HD2 LEU 74 7.973 -1.154 -4.650 541 H ASP 75 H ASP 75 12.059 -2.431 -5.319 542 HA ASP 75 HA ASP 75 13.436 -5.085 -5.141 543 1HB ASP 75 1HB ASP 75 13.919 -2.654 -6.899 544 2HB ASP 75 2HB ASP 75 15.034 -4.019 -6.750 545 H THR 76 H THR 76 13.979 -1.545 -4.492 546 HA THR 76 HA THR 76 16.532 -1.983 -3.340 547 HB THR 76 HB THR 76 14.603 0.289 -2.717 548 HG1 THR 76 HG1 THR 76 16.219 -0.124 -5.012 549 1HG2 THR 76 1HG2 THR 76 17.639 0.199 -3.003 550 2HG2 THR 76 2HG2 THR 76 16.658 1.646 -2.691 551 3HG2 THR 76 3HG2 THR 76 16.733 0.354 -1.479 552 H LYS 77 H LYS 77 17.091 -2.691 -1.325 553 HA LYS 77 HA LYS 77 15.115 -3.733 0.460 554 1HB LYS 77 1HB LYS 77 18.104 -3.294 0.781 555 2HB LYS 77 2HB LYS 77 17.081 -4.198 1.915 556 1HG LYS 77 1HG LYS 77 16.522 -5.855 0.219 557 2HG LYS 77 2HG LYS 77 17.307 -4.912 -1.044 558 1HD LYS 77 1HD LYS 77 18.722 -6.748 -0.450 559 2HD LYS 77 2HD LYS 77 19.509 -5.225 -0.011 560 1HE LYS 77 1HE LYS 77 18.902 -5.569 2.363 561 2HE LYS 77 2HE LYS 77 18.010 -7.043 1.931 562 1HZ LYS 77 1HZ LYS 77 20.184 -7.524 2.757 563 2HZ LYS 77 2HZ LYS 77 20.065 -7.989 1.180 564 3HZ LYS 77 3HZ LYS 77 20.892 -6.619 1.577 565 H GLY 78 H GLY 78 14.750 -3.111 2.681 566 1HA GLY 78 1HA GLY 78 15.354 -1.419 4.444 567 2HA GLY 78 2HA GLY 78 15.059 -0.165 3.231 568 H THR 79 H THR 79 13.601 0.207 5.368 569 HA THR 79 HA THR 79 10.991 -1.111 5.145 570 HB THR 79 HB THR 79 12.108 0.783 7.223 571 HG1 THR 79 HG1 THR 79 11.604 -2.020 7.305 572 1HG2 THR 79 1HG2 THR 79 10.166 -0.026 8.570 573 2HG2 THR 79 2HG2 THR 79 9.649 0.913 7.162 574 3HG2 THR 79 3HG2 THR 79 9.528 -0.860 7.139 575 OH TYR 80 OH TYR 80 12.113 -0.249 -2.138 576 H TYR 80 H TYR 80 9.403 -0.245 4.179 577 HA TYR 80 HA TYR 80 9.404 2.627 3.364 578 1HB TYR 80 1HB TYR 80 8.092 0.168 2.120 579 2HB TYR 80 2HB TYR 80 7.830 1.815 1.592 580 HD1 TYR 80 HD1 TYR 80 10.651 -0.618 2.121 581 HD2 TYR 80 HD2 TYR 80 8.867 2.389 -0.390 582 HE1 TYR 80 HE1 TYR 80 12.270 -1.139 0.361 583 HE2 TYR 80 HE2 TYR 80 10.345 1.695 -2.243 584 HH TYR 80 HH TYR 80 12.714 -0.951 -1.861 585 H SER 81 H SER 81 7.893 3.803 4.498 586 HA SER 81 HA SER 81 5.631 2.364 5.794 587 1HB SER 81 1HB SER 81 6.572 5.239 5.961 588 2HB SER 81 2HB SER 81 5.243 4.527 6.901 589 HG SER 81 HG SER 81 7.394 4.537 7.923 590 H PHE 82 H PHE 82 3.447 2.636 5.162 591 HA PHE 82 HA PHE 82 2.891 4.558 2.998 592 1HB PHE 82 1HB PHE 82 1.702 2.850 1.679 593 2HB PHE 82 2HB PHE 82 3.392 2.560 1.777 594 HD1 PHE 82 HD2 PHE 82 0.096 1.576 3.242 595 HD2 PHE 82 HD1 PHE 82 4.203 0.338 2.626 596 HE1 PHE 82 HE2 PHE 82 -0.372 -0.588 4.312 597 HE2 PHE 82 HE1 PHE 82 3.662 -1.848 3.601 598 HZ PHE 82 HZ PHE 82 1.402 -2.300 4.521 599 OH TYR 83 OH TYR 83 1.217 10.576 1.627 600 H TYR 83 H TYR 83 0.630 4.716 2.472 601 HA TYR 83 HA TYR 83 -1.270 4.100 4.618 602 1HB TYR 83 1HB TYR 83 -1.829 6.479 5.001 603 2HB TYR 83 2HB TYR 83 -0.188 6.083 5.504 604 HD1 TYR 83 HD2 TYR 83 1.781 6.928 4.283 605 HD2 TYR 83 HD1 TYR 83 -2.222 7.984 3.083 606 HE1 TYR 83 HE2 TYR 83 2.674 8.815 2.969 607 HE2 TYR 83 HE1 TYR 83 -1.321 9.941 1.835 608 HH TYR 83 HH TYR 83 2.177 10.626 1.630 609 H CYS 84 H CYS 84 -3.441 4.616 4.170 610 HA CYS 84 HA CYS 84 -4.098 4.739 1.242 611 1HB CYS 84 1HB CYS 84 -5.115 2.824 2.397 612 2HB CYS 84 2HB CYS 84 -5.605 3.880 3.735 613 H SER 85 H SER 85 -4.159 6.880 0.686 614 HA SER 85 HA SER 85 -4.324 8.927 2.412 615 1HB SER 85 1HB SER 85 -5.425 9.486 -0.321 616 2HB SER 85 2HB SER 85 -4.259 10.361 0.657 617 HG SER 85 HG SER 85 -2.759 8.721 0.278 618 HA PRO 86 HA PRO 86 -9.132 9.568 1.834 619 1HB PRO 86 1HB PRO 86 -9.830 6.645 1.501 620 2HB PRO 86 2HB PRO 86 -10.719 8.078 0.915 621 1HG PRO 86 1HG PRO 86 -9.168 6.675 -0.797 622 2HG PRO 86 2HG PRO 86 -9.085 8.464 -0.795 623 1HD PRO 86 1HD PRO 86 -7.196 6.517 0.538 624 2HD PRO 86 2HD PRO 86 -6.824 7.920 -0.475 625 H HIS 87 H HIS 87 -7.430 6.994 3.572 626 HA HIS 87 HA HIS 87 -9.181 7.468 5.951 627 1HB HIS 87 1HB HIS 87 -8.078 4.830 4.967 628 2HB HIS 87 2HB HIS 87 -9.018 5.066 6.442 629 HD2 HIS 87 HD2 HIS 87 -11.550 6.487 5.719 630 HE1 HIS 87 HE1 HIS 87 -12.056 3.939 2.365 631 HE2 HIS 87 HE2 HIS 87 -13.216 5.551 3.933 632 H GLN 88 H GLN 88 -6.381 8.417 4.906 633 HA GLN 88 HA GLN 88 -4.433 7.233 6.602 634 1HB GLN 88 1HB GLN 88 -3.915 8.603 4.681 635 2HB GLN 88 2HB GLN 88 -4.595 10.049 5.428 636 1HG GLN 88 1HG GLN 88 -2.281 8.463 6.654 637 2HG GLN 88 2HG GLN 88 -2.021 9.721 5.445 638 1HE2 GLN 88 1HE2 GLN 88 -3.073 12.416 7.644 639 2HE2 GLN 88 2HE2 GLN 88 -3.305 11.893 5.984 640 H GLY 89 H GLY 89 -6.483 10.135 7.037 641 1HA GLY 89 1HA GLY 89 -5.732 10.836 9.656 642 2HA GLY 89 2HA GLY 89 -7.314 11.155 8.919 643 H ALA 90 H ALA 90 -7.879 8.241 8.515 644 HA ALA 90 HA ALA 90 -8.945 7.674 11.186 645 1HB ALA 90 1HB ALA 90 -10.197 5.921 10.061 646 2HB ALA 90 2HB ALA 90 -10.346 7.441 9.160 647 3HB ALA 90 3HB ALA 90 -9.265 6.157 8.572 648 H GLY 91 H GLY 91 -5.909 7.206 9.981 649 1HA GLY 91 1HA GLY 91 -4.226 5.997 10.917 650 2HA GLY 91 2HA GLY 91 -5.374 5.023 11.837 651 H MET 92 H MET 92 -6.017 5.204 8.359 652 HA MET 92 HA MET 92 -5.339 2.365 8.189 653 1HB MET 92 1HB MET 92 -7.346 3.326 7.098 654 2HB MET 92 2HB MET 92 -6.274 4.175 5.956 655 1HG MET 92 1HG MET 92 -5.421 2.063 5.111 656 2HG MET 92 2HG MET 92 -6.120 1.186 6.461 657 1HE MET 92 1HE MET 92 -6.231 0.002 3.670 658 2HE MET 92 2HE MET 92 -6.871 -0.676 5.182 659 3HE MET 92 3HE MET 92 -7.898 -0.621 3.740 660 H VAL 93 H VAL 93 -3.140 2.591 8.738 661 HA VAL 93 HA VAL 93 -1.346 3.285 6.473 662 HB VAL 93 HB VAL 93 0.288 4.145 7.981 663 1HG1 VAL 93 1HG1 VAL 93 -0.754 6.172 8.724 664 2HG1 VAL 93 2HG1 VAL 93 -1.615 5.674 7.256 665 3HG1 VAL 93 3HG1 VAL 93 -2.348 5.410 8.844 666 1HG2 VAL 93 1HG2 VAL 93 -0.127 4.398 10.404 667 2HG2 VAL 93 2HG2 VAL 93 -1.641 3.488 10.248 668 3HG2 VAL 93 3HG2 VAL 93 -0.082 2.692 9.936 669 H GLY 94 H GLY 94 0.860 2.194 6.700 670 1HA GLY 94 1HA GLY 94 1.054 -0.217 8.244 671 2HA GLY 94 2HA GLY 94 0.618 -0.577 6.566 672 H LYS 95 H LYS 95 2.993 -1.593 7.090 673 HA LYS 95 HA LYS 95 4.918 0.188 5.778 674 1HB LYS 95 1HB LYS 95 5.617 -1.172 8.409 675 2HB LYS 95 2HB LYS 95 6.657 -0.137 7.431 676 1HG LYS 95 1HG LYS 95 5.081 1.783 7.940 677 2HG LYS 95 2HG LYS 95 4.217 0.703 9.057 678 1HD LYS 95 1HD LYS 95 6.396 0.300 10.261 679 2HD LYS 95 2HD LYS 95 7.156 1.507 9.207 680 1HE LYS 95 1HE LYS 95 4.846 2.004 11.146 681 2HE LYS 95 2HE LYS 95 6.535 2.488 11.375 682 1HZ LYS 95 1HZ LYS 95 6.318 3.836 9.377 683 2HZ LYS 95 2HZ LYS 95 4.720 3.462 9.285 684 3HZ LYS 95 3HZ LYS 95 5.289 4.309 10.579 685 H VAL 96 H VAL 96 6.623 -0.961 4.774 686 HA VAL 96 HA VAL 96 6.495 -3.919 4.973 687 HB VAL 96 HB VAL 96 5.114 -3.460 3.171 688 1HG1 VAL 96 1HG1 VAL 96 5.989 -1.140 2.545 689 2HG1 VAL 96 2HG1 VAL 96 7.345 -1.954 1.737 690 3HG1 VAL 96 3HG1 VAL 96 5.687 -2.214 1.171 691 1HG2 VAL 96 1HG2 VAL 96 7.777 -4.339 2.054 692 2HG2 VAL 96 2HG2 VAL 96 6.618 -5.363 2.950 693 3HG2 VAL 96 3HG2 VAL 96 6.161 -4.650 1.388 694 H THR 97 H THR 97 8.371 -4.769 5.239 695 HA THR 97 HA THR 97 10.836 -3.140 4.768 696 HB THR 97 HB THR 97 10.360 -5.446 6.638 697 HG1 THR 97 HG1 THR 97 10.215 -3.881 8.085 698 1HG2 THR 97 1HG2 THR 97 12.698 -5.520 5.837 699 2HG2 THR 97 2HG2 THR 97 12.863 -3.771 6.103 700 3HG2 THR 97 3HG2 THR 97 12.649 -4.869 7.481 701 H VAL 98 H VAL 98 11.624 -3.405 2.825 702 HA VAL 98 HA VAL 98 11.412 -5.935 1.430 703 HB VAL 98 HB VAL 98 12.873 -3.391 0.696 704 1HG1 VAL 98 1HG1 VAL 98 12.029 -5.812 -0.977 705 2HG1 VAL 98 2HG1 VAL 98 12.752 -4.324 -1.618 706 3HG1 VAL 98 3HG1 VAL 98 13.702 -5.386 -0.567 707 1HG2 VAL 98 1HG2 VAL 98 10.925 -2.964 -0.710 708 2HG2 VAL 98 2HG2 VAL 98 10.116 -4.425 -0.108 709 3HG2 VAL 98 3HG2 VAL 98 10.418 -3.048 0.972 710 H ASN 99 H ASN 99 12.881 -7.550 1.673 711 HA ASN 99 HA ASN 99 15.663 -6.993 2.591 712 1HB ASN 99 1HB ASN 99 15.509 -8.782 4.241 713 2HB ASN 99 2HB ASN 99 14.349 -7.494 4.589 714 1HD2 ASN 99 1HD2 ASN 99 12.148 -10.264 5.150 715 2HD2 ASN 99 2HD2 ASN 99 13.206 -9.109 5.936 Start of MODEL 15 Raw file had 715 H/Q atoms Start of MODEL 15 1 H LEU 1 H LEU 1 3.203 -9.934 -2.613 2 HA LEU 1 HA LEU 1 2.208 -11.884 -0.960 3 1HB LEU 1 1HB LEU 1 2.833 -9.373 0.659 4 2HB LEU 1 2HB LEU 1 1.593 -10.533 1.126 5 HG LEU 1 HG LEU 1 3.322 -12.349 1.185 6 1HD1 LEU 1 1HD1 LEU 1 5.132 -11.397 -0.153 7 2HD1 LEU 1 2HD1 LEU 1 5.242 -9.986 0.923 8 3HD1 LEU 1 3HD1 LEU 1 5.702 -11.600 1.503 9 1HD2 LEU 1 1HD2 LEU 1 2.476 -11.224 3.205 10 2HD2 LEU 1 2HD2 LEU 1 4.196 -11.613 3.385 11 3HD2 LEU 1 3HD2 LEU 1 3.696 -9.948 3.022 12 H GLU 2 H GLU 2 -0.082 -11.726 -0.576 13 HA GLU 2 HA GLU 2 -1.423 -9.675 -2.225 14 1HB GLU 2 1HB GLU 2 -1.977 -12.092 -2.501 15 2HB GLU 2 2HB GLU 2 -2.574 -12.118 -0.827 16 1HG GLU 2 1HG GLU 2 -4.253 -10.373 -1.407 17 2HG GLU 2 2HG GLU 2 -3.614 -10.298 -3.057 18 H VAL 3 H VAL 3 -2.008 -7.832 -1.193 19 HA VAL 3 HA VAL 3 -2.470 -7.878 1.756 20 HB VAL 3 HB VAL 3 -1.818 -5.539 -0.075 21 1HG1 VAL 3 1HG1 VAL 3 -2.025 -5.772 2.957 22 2HG1 VAL 3 2HG1 VAL 3 -1.422 -4.353 2.087 23 3HG1 VAL 3 3HG1 VAL 3 -3.112 -4.847 1.902 24 1HG2 VAL 3 1HG2 VAL 3 -0.007 -6.997 1.889 25 2HG2 VAL 3 2HG2 VAL 3 0.121 -7.055 0.121 26 3HG2 VAL 3 3HG2 VAL 3 0.384 -5.529 0.976 27 H LEU 4 H LEU 4 -4.562 -7.772 2.387 28 HA LEU 4 HA LEU 4 -6.628 -7.029 0.396 29 1HB LEU 4 1HB LEU 4 -6.899 -7.928 3.278 30 2HB LEU 4 2HB LEU 4 -8.210 -7.659 2.142 31 HG LEU 4 HG LEU 4 -6.070 -9.820 2.029 32 1HD1 LEU 4 1HD1 LEU 4 -8.007 -10.158 3.557 33 2HD1 LEU 4 2HD1 LEU 4 -9.118 -9.917 2.188 34 3HD1 LEU 4 3HD1 LEU 4 -8.020 -11.314 2.211 35 1HD2 LEU 4 1HD2 LEU 4 -8.158 -9.108 -0.080 36 2HD2 LEU 4 2HD2 LEU 4 -6.390 -9.162 -0.288 37 3HD2 LEU 4 3HD2 LEU 4 -7.288 -10.653 -0.012 38 H LEU 5 H LEU 5 -7.240 -4.945 0.125 39 HA LEU 5 HA LEU 5 -6.397 -2.921 1.915 40 1HB LEU 5 1HB LEU 5 -6.860 -3.253 -0.826 41 2HB LEU 5 2HB LEU 5 -8.353 -2.473 -0.317 42 HG LEU 5 HG LEU 5 -7.138 -0.710 0.573 43 1HD1 LEU 5 1HD1 LEU 5 -4.626 -0.452 -0.037 44 2HD1 LEU 5 2HD1 LEU 5 -5.060 -1.404 1.375 45 3HD1 LEU 5 3HD1 LEU 5 -4.661 -2.232 -0.153 46 1HD2 LEU 5 1HD2 LEU 5 -6.008 -1.409 -2.197 47 2HD2 LEU 5 2HD2 LEU 5 -7.662 -0.808 -1.952 48 3HD2 LEU 5 3HD2 LEU 5 -6.263 0.238 -1.599 49 H GLY 6 H GLY 6 -7.420 -3.049 3.857 50 1HA GLY 6 1HA GLY 6 -9.161 -2.357 5.253 51 2HA GLY 6 2HA GLY 6 -10.339 -2.578 3.974 52 H SER 7 H SER 7 -10.246 -3.731 6.779 53 HA SER 7 HA SER 7 -9.765 -6.562 6.431 54 1HB SER 7 1HB SER 7 -10.675 -6.671 8.740 55 2HB SER 7 2HB SER 7 -9.386 -5.470 8.600 56 HG SER 7 HG SER 7 -11.043 -3.861 8.400 57 H GLY 8 H GLY 8 -11.373 -8.059 6.595 58 1HA GLY 8 1HA GLY 8 -13.604 -7.907 4.874 59 2HA GLY 8 2HA GLY 8 -13.406 -9.130 6.143 60 H ASP 9 H ASP 9 -13.400 -7.287 8.364 61 HA ASP 9 HA ASP 9 -16.257 -7.020 8.767 62 1HB ASP 9 1HB ASP 9 -15.651 -6.286 11.000 63 2HB ASP 9 2HB ASP 9 -14.727 -7.726 10.564 64 H GLY 10 H GLY 10 -14.102 -4.985 7.132 65 1HA GLY 10 1HA GLY 10 -14.863 -3.021 6.111 66 2HA GLY 10 2HA GLY 10 -15.945 -2.670 7.457 67 H SER 11 H SER 11 -13.445 -3.404 9.329 68 HA SER 11 HA SER 11 -12.765 -0.726 9.787 69 1HB SER 11 1HB SER 11 -12.496 -2.419 11.490 70 2HB SER 11 2HB SER 11 -11.133 -3.154 10.621 71 HG SER 11 HG SER 11 -11.307 -0.642 11.894 72 H LEU 12 H LEU 12 -11.322 0.622 9.072 73 HA LEU 12 HA LEU 12 -10.050 0.252 6.546 74 1HB LEU 12 1HB LEU 12 -9.896 2.508 8.614 75 2HB LEU 12 2HB LEU 12 -9.443 2.610 6.914 76 HG LEU 12 HG LEU 12 -11.455 3.689 7.170 77 1HD1 LEU 12 1HD1 LEU 12 -12.215 0.994 5.981 78 2HD1 LEU 12 2HD1 LEU 12 -12.913 2.573 5.583 79 3HD1 LEU 12 3HD1 LEU 12 -11.224 2.216 5.158 80 1HD2 LEU 12 1HD2 LEU 12 -12.292 2.669 9.281 81 2HD2 LEU 12 2HD2 LEU 12 -13.490 3.044 8.029 82 3HD2 LEU 12 3HD2 LEU 12 -13.010 1.371 8.282 83 H VAL 13 H VAL 13 -8.751 -1.635 7.376 84 HA VAL 13 HA VAL 13 -6.032 -0.622 8.087 85 HB VAL 13 HB VAL 13 -5.647 -2.583 9.496 86 1HG1 VAL 13 1HG1 VAL 13 -6.821 -1.797 11.471 87 2HG1 VAL 13 2HG1 VAL 13 -6.331 -0.405 10.491 88 3HG1 VAL 13 3HG1 VAL 13 -8.023 -0.949 10.485 89 1HG2 VAL 13 1HG2 VAL 13 -8.646 -3.107 9.301 90 2HG2 VAL 13 2HG2 VAL 13 -7.360 -4.139 8.632 91 3HG2 VAL 13 3HG2 VAL 13 -7.506 -3.923 10.379 92 H PHE 14 H PHE 14 -4.361 -1.578 6.984 93 HA PHE 14 HA PHE 14 -5.054 -3.155 4.600 94 1HB PHE 14 1HB PHE 14 -2.401 -2.292 5.826 95 2HB PHE 14 2HB PHE 14 -2.549 -3.204 4.342 96 HD1 PHE 14 HD1 PHE 14 -3.162 0.095 5.950 97 HD2 PHE 14 HD2 PHE 14 -2.824 -2.091 2.241 98 HE1 PHE 14 HE1 PHE 14 -2.873 2.203 4.704 99 HE2 PHE 14 HE2 PHE 14 -2.442 0.013 1.054 100 HZ PHE 14 HZ PHE 14 -2.622 2.181 2.225 101 H VAL 15 H VAL 15 -4.872 -5.440 4.519 102 HA VAL 15 HA VAL 15 -3.748 -6.770 6.974 103 HB VAL 15 HB VAL 15 -6.032 -7.707 5.246 104 1HG1 VAL 15 1HG1 VAL 15 -6.293 -9.414 7.015 105 2HG1 VAL 15 2HG1 VAL 15 -4.723 -9.568 6.220 106 3HG1 VAL 15 3HG1 VAL 15 -4.833 -8.809 7.824 107 1HG2 VAL 15 1HG2 VAL 15 -5.997 -6.478 8.030 108 2HG2 VAL 15 2HG2 VAL 15 -6.770 -5.805 6.576 109 3HG2 VAL 15 3HG2 VAL 15 -7.391 -7.293 7.294 110 HA PRO 16 HA PRO 16 -1.801 -7.539 7.462 111 1HB PRO 16 1HB PRO 16 0.873 -7.504 7.032 112 2HB PRO 16 2HB PRO 16 -0.073 -9.011 7.098 113 1HG PRO 16 1HG PRO 16 0.763 -7.458 4.623 114 2HG PRO 16 2HG PRO 16 0.985 -9.205 4.935 115 1HD PRO 16 1HD PRO 16 -1.108 -8.254 3.484 116 2HD PRO 16 2HD PRO 16 -1.337 -9.622 4.596 117 H SER 17 H SER 17 -0.606 -5.756 8.470 118 HA SER 17 HA SER 17 -0.769 -3.198 7.000 119 1HB SER 17 1HB SER 17 -0.554 -2.389 9.419 120 2HB SER 17 2HB SER 17 -2.018 -3.322 9.042 121 HG SER 17 HG SER 17 -1.018 -4.111 10.951 122 H GLU 18 H GLU 18 1.259 -4.756 9.415 123 HA GLU 18 HA GLU 18 3.744 -3.466 8.368 124 1HB GLU 18 1HB GLU 18 3.120 -3.095 10.749 125 2HB GLU 18 2HB GLU 18 3.195 -4.848 11.018 126 1HG GLU 18 1HG GLU 18 5.608 -4.823 10.358 127 2HG GLU 18 2HG GLU 18 5.508 -3.075 10.092 128 H PHE 19 H PHE 19 5.084 -4.828 7.126 129 HA PHE 19 HA PHE 19 5.356 -7.627 7.909 130 1HB PHE 19 1HB PHE 19 4.590 -8.614 5.822 131 2HB PHE 19 2HB PHE 19 3.286 -7.774 6.617 132 HD1 PHE 19 HD1 PHE 19 2.503 -5.512 5.738 133 HD2 PHE 19 HD2 PHE 19 5.275 -8.028 3.582 134 HE1 PHE 19 HE1 PHE 19 1.772 -4.509 3.605 135 HE2 PHE 19 HE2 PHE 19 4.602 -6.943 1.464 136 HZ PHE 19 HZ PHE 19 2.849 -5.175 1.473 137 H SER 20 H SER 20 6.768 -8.844 6.220 138 HA SER 20 HA SER 20 8.946 -7.066 5.279 139 1HB SER 20 1HB SER 20 10.284 -9.246 5.693 140 2HB SER 20 2HB SER 20 9.769 -8.314 7.118 141 HG SER 20 HG SER 20 9.287 -10.556 7.329 142 H VAL 21 H VAL 21 9.820 -7.609 3.181 143 HA VAL 21 HA VAL 21 8.444 -9.760 1.705 144 HB VAL 21 HB VAL 21 7.157 -7.721 1.352 145 1HG1 VAL 21 1HG1 VAL 21 9.025 -6.049 1.665 146 2HG1 VAL 21 2HG1 VAL 21 9.646 -6.511 0.066 147 3HG1 VAL 21 3HG1 VAL 21 8.046 -5.784 0.209 148 1HG2 VAL 21 1HG2 VAL 21 7.433 -9.398 -0.469 149 2HG2 VAL 21 2HG2 VAL 21 7.156 -7.750 -1.075 150 3HG2 VAL 21 3HG2 VAL 21 8.797 -8.424 -1.085 151 HA PRO 22 HA PRO 22 12.762 -10.275 0.567 152 1HB PRO 22 1HB PRO 22 11.744 -11.650 -1.902 153 2HB PRO 22 2HB PRO 22 12.920 -12.242 -0.700 154 1HG PRO 22 1HG PRO 22 10.370 -13.203 -0.749 155 2HG PRO 22 2HG PRO 22 11.174 -12.844 0.808 156 1HD PRO 22 1HD PRO 22 9.225 -11.086 -0.711 157 2HD PRO 22 2HD PRO 22 9.234 -11.573 1.009 158 H SER 23 H SER 23 14.194 -9.146 -0.739 159 HA SER 23 HA SER 23 13.589 -6.850 -2.125 160 1HB SER 23 1HB SER 23 15.856 -8.735 -2.894 161 2HB SER 23 2HB SER 23 15.787 -6.981 -3.133 162 HG SER 23 HG SER 23 15.838 -8.364 -0.643 163 H GLY 24 H GLY 24 12.437 -6.417 -3.986 164 1HA GLY 24 1HA GLY 24 11.987 -6.538 -6.242 165 2HA GLY 24 2HA GLY 24 12.936 -8.015 -6.394 166 H GLU 25 H GLU 25 10.821 -8.730 -3.852 167 HA GLU 25 HA GLU 25 9.111 -10.188 -5.703 168 1HB GLU 25 1HB GLU 25 9.861 -11.058 -3.495 169 2HB GLU 25 2HB GLU 25 8.788 -9.886 -2.712 170 1HG GLU 25 1HG GLU 25 6.824 -10.928 -3.753 171 2HG GLU 25 2HG GLU 25 7.861 -11.982 -4.734 172 H LYS 26 H LYS 26 6.862 -9.835 -6.033 173 HA LYS 26 HA LYS 26 6.098 -7.012 -5.897 174 1HB LYS 26 1HB LYS 26 4.294 -7.814 -7.470 175 2HB LYS 26 2HB LYS 26 5.966 -7.724 -8.036 176 1HG LYS 26 1HG LYS 26 6.216 -10.145 -7.903 177 2HG LYS 26 2HG LYS 26 4.640 -10.301 -7.104 178 1HD LYS 26 1HD LYS 26 4.571 -10.913 -9.505 179 2HD LYS 26 2HD LYS 26 3.490 -9.568 -9.124 180 1HE LYS 26 1HE LYS 26 4.739 -9.273 -11.268 181 2HE LYS 26 2HE LYS 26 5.023 -7.957 -10.126 182 1HZ LYS 26 1HZ LYS 26 7.100 -8.968 -9.551 183 2HZ LYS 26 2HZ LYS 26 6.825 -10.243 -10.561 184 3HZ LYS 26 3HZ LYS 26 7.029 -8.730 -11.178 185 H ILE 27 H ILE 27 4.392 -6.196 -4.943 186 HA ILE 27 HA ILE 27 2.871 -7.850 -3.008 187 HB ILE 27 HB ILE 27 3.237 -4.840 -3.151 188 1HG1 ILE 27 1HG1 ILE 27 4.696 -6.802 -1.317 189 2HG1 ILE 27 2HG1 ILE 27 5.429 -6.032 -2.730 190 1HG2 ILE 27 1HG2 ILE 27 2.249 -6.645 -0.900 191 2HG2 ILE 27 2HG2 ILE 27 2.338 -4.872 -0.856 192 3HG2 ILE 27 3HG2 ILE 27 1.201 -5.656 -1.939 193 1HD1 ILE 27 1HD1 ILE 27 4.962 -3.787 -1.763 194 2HD1 ILE 27 2HD1 ILE 27 4.464 -4.587 -0.253 195 3HD1 ILE 27 3HD1 ILE 27 6.114 -4.786 -0.859 196 H VAL 28 H VAL 28 0.658 -7.916 -3.260 197 HA VAL 28 HA VAL 28 -0.598 -6.494 -5.584 198 HB VAL 28 HB VAL 28 -1.196 -9.254 -4.445 199 1HG1 VAL 28 1HG1 VAL 28 -2.374 -7.764 -6.824 200 2HG1 VAL 28 2HG1 VAL 28 -2.695 -9.459 -6.411 201 3HG1 VAL 28 3HG1 VAL 28 -3.232 -8.174 -5.325 202 1HG2 VAL 28 1HG2 VAL 28 0.118 -8.451 -7.067 203 2HG2 VAL 28 2HG2 VAL 28 0.912 -9.279 -5.711 204 3HG2 VAL 28 3HG2 VAL 28 -0.373 -10.093 -6.612 205 H PHE 29 H PHE 29 -1.521 -4.750 -4.532 206 HA PHE 29 HA PHE 29 -2.963 -5.126 -1.976 207 1HB PHE 29 1HB PHE 29 -2.584 -2.749 -3.785 208 2HB PHE 29 2HB PHE 29 -3.548 -2.716 -2.323 209 HD1 PHE 29 HD1 PHE 29 -0.163 -2.860 -3.730 210 HD2 PHE 29 HD2 PHE 29 -2.510 -2.645 -0.141 211 HE1 PHE 29 HE1 PHE 29 1.919 -2.487 -2.374 212 HE2 PHE 29 HE2 PHE 29 -0.450 -2.121 1.182 213 HZ PHE 29 HZ PHE 29 1.756 -2.043 0.047 214 H LYS 30 H LYS 30 -4.772 -6.397 -2.302 215 HA LYS 30 HA LYS 30 -6.520 -5.927 -4.650 216 1HB LYS 30 1HB LYS 30 -5.886 -8.213 -4.045 217 2HB LYS 30 2HB LYS 30 -6.613 -8.001 -2.445 218 1HG LYS 30 1HG LYS 30 -8.833 -7.665 -3.460 219 2HG LYS 30 2HG LYS 30 -8.130 -7.761 -5.088 220 1HD LYS 30 1HD LYS 30 -7.411 -10.085 -4.652 221 2HD LYS 30 2HD LYS 30 -8.074 -10.006 -3.013 222 1HE LYS 30 1HE LYS 30 -9.675 -9.723 -5.603 223 2HE LYS 30 2HE LYS 30 -9.598 -11.168 -4.585 224 1HZ LYS 30 1HZ LYS 30 -10.683 -8.563 -3.768 225 2HZ LYS 30 2HZ LYS 30 -11.544 -9.918 -4.118 226 3HZ LYS 30 3HZ LYS 30 -10.559 -9.891 -2.800 227 H ASN 31 H ASN 31 -8.264 -4.612 -4.554 228 HA ASN 31 HA ASN 31 -9.045 -3.297 -2.170 229 1HB ASN 31 1HB ASN 31 -9.526 -2.424 -4.449 230 2HB ASN 31 2HB ASN 31 -10.733 -3.688 -4.679 231 1HD2 ASN 31 1HD2 ASN 31 -12.798 -0.912 -3.524 232 2HD2 ASN 31 2HD2 ASN 31 -12.085 -1.614 -4.965 233 H ASN 32 H ASN 32 -9.967 -4.333 -0.401 234 HA ASN 32 HA ASN 32 -11.595 -6.785 -0.869 235 1HB ASN 32 1HB ASN 32 -9.689 -7.026 0.537 236 2HB ASN 32 2HB ASN 32 -10.188 -5.708 1.583 237 1HD2 ASN 32 1HD2 ASN 32 -11.752 -8.079 3.669 238 2HD2 ASN 32 2HD2 ASN 32 -10.590 -6.760 3.511 239 H ALA 33 H ALA 33 -11.697 -4.332 1.687 240 HA ALA 33 HA ALA 33 -14.537 -3.689 1.153 241 1HB ALA 33 1HB ALA 33 -14.665 -5.790 2.457 242 2HB ALA 33 2HB ALA 33 -13.596 -5.088 3.686 243 3HB ALA 33 3HB ALA 33 -15.224 -4.420 3.436 244 H GLY 34 H GLY 34 -15.271 -2.111 3.056 245 1HA GLY 34 1HA GLY 34 -14.929 -0.092 4.105 246 2HA GLY 34 2HA GLY 34 -13.309 -0.669 4.526 247 H PHE 35 H PHE 35 -14.086 -0.599 1.157 248 HA PHE 35 HA PHE 35 -12.083 1.415 0.502 249 1HB PHE 35 1HB PHE 35 -12.448 0.574 -1.742 250 2HB PHE 35 2HB PHE 35 -12.267 -0.642 -0.526 251 HD1 PHE 35 HD2 PHE 35 -15.152 1.239 -2.064 252 HD2 PHE 35 HD1 PHE 35 -13.412 -2.553 -1.020 253 HE1 PHE 35 HE2 PHE 35 -17.315 0.104 -2.556 254 HE2 PHE 35 HE1 PHE 35 -15.615 -3.666 -1.331 255 HZ PHE 35 HZ PHE 35 -17.550 -2.348 -2.172 256 HA PRO 36 HA PRO 36 -12.529 2.565 -2.055 257 1HB PRO 36 1HB PRO 36 -12.360 5.523 -1.757 258 2HB PRO 36 2HB PRO 36 -12.413 4.580 -3.275 259 1HG PRO 36 1HG PRO 36 -14.614 5.909 -2.397 260 2HG PRO 36 2HG PRO 36 -14.791 4.219 -2.968 261 1HD PRO 36 1HD PRO 36 -14.467 5.172 -0.091 262 2HD PRO 36 2HD PRO 36 -15.711 4.089 -0.776 263 H HIS 37 H HIS 37 -10.261 2.991 -2.369 264 HA HIS 37 HA HIS 37 -8.741 4.065 -0.113 265 1HB HIS 37 1HB HIS 37 -8.401 1.233 -1.178 266 2HB HIS 37 2HB HIS 37 -7.411 1.920 0.102 267 HD2 HIS 37 HD2 HIS 37 -9.868 -0.598 -0.348 268 HE1 HIS 37 HE1 HIS 37 -10.374 0.585 3.685 269 HE2 HIS 37 HE2 HIS 37 -10.744 -1.283 1.992 270 H ASN 38 H ASN 38 -6.264 3.655 -0.646 271 HA ASN 38 HA ASN 38 -5.527 3.121 -3.304 272 1HB ASN 38 1HB ASN 38 -4.595 5.274 -3.947 273 2HB ASN 38 2HB ASN 38 -6.329 5.336 -3.805 274 1HD2 ASN 38 1HD2 ASN 38 -5.571 8.498 -2.377 275 2HD2 ASN 38 2HD2 ASN 38 -5.880 7.694 -3.905 276 H VAL 39 H VAL 39 -3.002 3.566 -3.353 277 HA VAL 39 HA VAL 39 -1.922 2.938 -0.624 278 HB VAL 39 HB VAL 39 -1.107 1.734 -3.302 279 1HG1 VAL 39 1HG1 VAL 39 -0.302 1.034 -0.438 280 2HG1 VAL 39 2HG1 VAL 39 0.258 0.238 -1.923 281 3HG1 VAL 39 3HG1 VAL 39 0.715 1.913 -1.599 282 1HG2 VAL 39 1HG2 VAL 39 -2.724 0.489 -1.040 283 2HG2 VAL 39 2HG2 VAL 39 -3.320 0.848 -2.675 284 3HG2 VAL 39 3HG2 VAL 39 -2.066 -0.364 -2.442 285 H VAL 40 H VAL 40 -0.936 4.870 -0.124 286 HA VAL 40 HA VAL 40 0.809 6.108 -2.212 287 HB VAL 40 HB VAL 40 -0.558 7.426 0.159 288 1HG1 VAL 40 1HG1 VAL 40 1.011 8.535 -2.219 289 2HG1 VAL 40 2HG1 VAL 40 0.143 9.518 -1.020 290 3HG1 VAL 40 3HG1 VAL 40 1.530 8.540 -0.526 291 1HG2 VAL 40 1HG2 VAL 40 -2.307 6.816 -1.386 292 2HG2 VAL 40 2HG2 VAL 40 -1.978 8.535 -1.619 293 3HG2 VAL 40 3HG2 VAL 40 -1.347 7.342 -2.780 294 H PHE 41 H PHE 41 2.951 6.317 -1.678 295 HA PHE 41 HA PHE 41 3.799 5.184 0.946 296 1HB PHE 41 1HB PHE 41 5.148 5.501 -1.718 297 2HB PHE 41 2HB PHE 41 6.036 5.160 -0.248 298 HD1 PHE 41 HD1 PHE 41 3.416 3.757 -2.519 299 HD2 PHE 41 HD2 PHE 41 6.059 3.032 0.781 300 HE1 PHE 41 HE1 PHE 41 2.952 1.333 -2.696 301 HE2 PHE 41 HE2 PHE 41 5.733 0.571 0.497 302 HZ PHE 41 HZ PHE 41 4.123 -0.269 -1.199 303 H ASP 42 H ASP 42 4.950 6.351 2.397 304 HA ASP 42 HA ASP 42 4.809 9.234 2.230 305 1HB ASP 42 1HB ASP 42 4.629 7.990 4.357 306 2HB ASP 42 2HB ASP 42 6.285 7.410 4.151 307 H GLU 43 H GLU 43 6.108 10.403 0.962 308 HA GLU 43 HA GLU 43 8.309 9.576 -0.448 309 1HB GLU 43 1HB GLU 43 8.758 11.976 -0.829 310 2HB GLU 43 2HB GLU 43 7.059 11.535 -1.042 311 1HG GLU 43 1HG GLU 43 6.533 12.450 1.230 312 2HG GLU 43 2HG GLU 43 8.237 12.886 1.433 313 H ASP 44 H ASP 44 8.454 10.648 2.905 314 HA ASP 44 HA ASP 44 11.403 10.878 2.770 315 1HB ASP 44 1HB ASP 44 10.199 12.497 4.120 316 2HB ASP 44 2HB ASP 44 9.419 11.211 5.056 317 H GLU 45 H GLU 45 8.937 8.857 4.393 318 HA GLU 45 HA GLU 45 10.940 7.069 5.521 319 1HB GLU 45 1HB GLU 45 7.933 6.865 5.503 320 2HB GLU 45 2HB GLU 45 9.049 5.955 6.532 321 1HG GLU 45 1HG GLU 45 9.763 8.018 7.652 322 2HG GLU 45 2HG GLU 45 8.723 8.999 6.615 323 H ILE 46 H ILE 46 11.562 6.910 3.042 324 HA ILE 46 HA ILE 46 11.042 4.138 2.289 325 HB ILE 46 HB ILE 46 10.822 4.815 -0.145 326 1HG1 ILE 46 1HG1 ILE 46 10.112 7.547 0.996 327 2HG1 ILE 46 2HG1 ILE 46 11.543 7.154 0.039 328 1HG2 ILE 46 1HG2 ILE 46 8.434 5.012 -0.114 329 2HG2 ILE 46 2HG2 ILE 46 8.924 3.958 1.202 330 3HG2 ILE 46 3HG2 ILE 46 8.437 5.620 1.553 331 1HD1 ILE 46 1HD1 ILE 46 10.002 8.134 -1.471 332 2HD1 ILE 46 2HD1 ILE 46 9.953 6.393 -1.807 333 3HD1 ILE 46 3HD1 ILE 46 8.649 7.157 -0.873 334 HA PRO 47 HA PRO 47 15.394 4.626 1.795 335 1HB PRO 47 1HB PRO 47 16.081 2.735 -0.100 336 2HB PRO 47 2HB PRO 47 15.660 2.380 1.597 337 1HG PRO 47 1HG PRO 47 13.881 2.225 -0.838 338 2HG PRO 47 2HG PRO 47 14.043 1.046 0.504 339 1HD PRO 47 1HD PRO 47 12.006 2.880 0.381 340 2HD PRO 47 2HD PRO 47 12.721 2.379 1.940 341 H ALA 48 H ALA 48 16.407 6.249 0.847 342 HA ALA 48 HA ALA 48 15.500 7.787 -1.264 343 1HB ALA 48 1HB ALA 48 17.103 8.570 0.402 344 2HB ALA 48 2HB ALA 48 18.349 7.472 -0.236 345 3HB ALA 48 3HB ALA 48 17.747 8.814 -1.233 346 H GLY 49 H GLY 49 15.161 7.138 -3.291 347 1HA GLY 49 1HA GLY 49 16.883 6.755 -5.309 348 2HA GLY 49 2HA GLY 49 16.811 5.109 -4.640 349 H VAL 50 H VAL 50 14.328 4.649 -3.870 350 HA VAL 50 HA VAL 50 12.836 4.668 -6.406 351 HB VAL 50 HB VAL 50 12.066 3.449 -3.732 352 1HG1 VAL 50 1HG1 VAL 50 10.460 2.205 -5.106 353 2HG1 VAL 50 2HG1 VAL 50 10.207 3.945 -5.378 354 3HG1 VAL 50 3HG1 VAL 50 11.066 2.982 -6.585 355 1HG2 VAL 50 1HG2 VAL 50 14.136 2.401 -4.551 356 2HG2 VAL 50 2HG2 VAL 50 12.766 1.308 -4.797 357 3HG2 VAL 50 3HG2 VAL 50 13.431 2.215 -6.171 358 H ASP 51 H ASP 51 12.256 6.827 -6.704 359 HA ASP 51 HA ASP 51 11.127 8.520 -4.740 360 1HB ASP 51 1HB ASP 51 11.925 9.327 -6.939 361 2HB ASP 51 2HB ASP 51 10.575 8.502 -7.740 362 H ALA 52 H ALA 52 9.163 8.675 -3.913 363 HA ALA 52 HA ALA 52 7.305 6.758 -3.545 364 1HB ALA 52 1HB ALA 52 5.750 8.531 -2.851 365 2HB ALA 52 2HB ALA 52 7.397 8.881 -2.306 366 3HB ALA 52 3HB ALA 52 6.728 9.744 -3.706 367 H VAL 53 H VAL 53 7.137 9.114 -6.249 368 HA VAL 53 HA VAL 53 4.557 8.409 -7.146 369 HB VAL 53 HB VAL 53 6.983 9.393 -8.705 370 1HG1 VAL 53 1HG1 VAL 53 5.296 10.225 -10.357 371 2HG1 VAL 53 2HG1 VAL 53 5.393 8.464 -10.311 372 3HG1 VAL 53 3HG1 VAL 53 4.043 9.297 -9.508 373 1HG2 VAL 53 1HG2 VAL 53 4.575 10.859 -7.522 374 2HG2 VAL 53 2HG2 VAL 53 6.230 10.938 -6.889 375 3HG2 VAL 53 3HG2 VAL 53 5.867 11.599 -8.487 376 H LYS 54 H LYS 54 7.630 6.677 -7.506 377 HA LYS 54 HA LYS 54 6.600 4.960 -9.633 378 1HB LYS 54 1HB LYS 54 9.085 4.652 -7.912 379 2HB LYS 54 2HB LYS 54 8.646 3.686 -9.327 380 1HG LYS 54 1HG LYS 54 8.476 5.937 -10.603 381 2HG LYS 54 2HG LYS 54 9.381 6.638 -9.259 382 1HD LYS 54 1HD LYS 54 10.256 4.245 -10.964 383 2HD LYS 54 2HD LYS 54 10.777 5.906 -11.248 384 1HE LYS 54 1HE LYS 54 11.332 4.368 -8.667 385 2HE LYS 54 2HE LYS 54 12.455 4.507 -10.027 386 1HZ LYS 54 1HZ LYS 54 11.404 6.747 -8.463 387 2HZ LYS 54 2HZ LYS 54 12.936 6.131 -8.392 388 3HZ LYS 54 3HZ LYS 54 12.411 6.878 -9.761 389 H ILE 55 H ILE 55 6.228 4.919 -6.159 390 HA ILE 55 HA ILE 55 5.242 2.096 -6.390 391 HB ILE 55 HB ILE 55 5.655 1.788 -4.056 392 1HG1 ILE 55 1HG1 ILE 55 5.842 4.393 -3.551 393 2HG1 ILE 55 2HG1 ILE 55 6.628 3.126 -2.586 394 1HG2 ILE 55 1HG2 ILE 55 7.236 0.986 -5.702 395 2HG2 ILE 55 2HG2 ILE 55 8.099 2.544 -5.657 396 3HG2 ILE 55 3HG2 ILE 55 8.061 1.499 -4.212 397 1HD1 ILE 55 1HD1 ILE 55 8.146 4.947 -2.877 398 2HD1 ILE 55 2HD1 ILE 55 8.773 3.513 -3.625 399 3HD1 ILE 55 3HD1 ILE 55 8.056 4.779 -4.655 400 H SER 56 H SER 56 4.315 5.339 -5.666 401 HA SER 56 HA SER 56 1.965 4.585 -4.119 402 1HB SER 56 1HB SER 56 2.804 7.228 -5.328 403 2HB SER 56 2HB SER 56 1.507 6.990 -4.157 404 HG SER 56 HG SER 56 4.296 6.550 -3.853 405 H MET 57 H MET 57 0.003 4.077 -4.942 406 HA MET 57 HA MET 57 -0.540 4.119 -7.771 407 1HB MET 57 1HB MET 57 -1.530 2.617 -5.923 408 2HB MET 57 2HB MET 57 -2.580 3.960 -5.498 409 1HG MET 57 1HG MET 57 -2.392 2.594 -8.220 410 2HG MET 57 2HG MET 57 -3.612 2.256 -6.997 411 1HE MET 57 1HE MET 57 -5.329 4.037 -6.159 412 2HE MET 57 2HE MET 57 -4.293 5.499 -6.171 413 3HE MET 57 3HE MET 57 -5.796 5.463 -7.106 414 HA PRO 58 HA PRO 58 -0.968 8.589 -8.143 415 1HB PRO 58 1HB PRO 58 -3.394 7.644 -9.703 416 2HB PRO 58 2HB PRO 58 -2.381 9.088 -10.024 417 1HG PRO 58 1HG PRO 58 -1.799 6.770 -11.294 418 2HG PRO 58 2HG PRO 58 -0.474 7.706 -10.542 419 1HD PRO 58 1HD PRO 58 -1.763 5.186 -9.567 420 2HD PRO 58 2HD PRO 58 -0.078 5.748 -9.381 421 H GLU 59 H GLU 59 -1.350 9.336 -6.178 422 HA GLU 59 HA GLU 59 -3.183 8.978 -4.281 423 1HB GLU 59 1HB GLU 59 -2.117 11.749 -4.994 424 2HB GLU 59 2HB GLU 59 -2.675 11.165 -3.426 425 1HG GLU 59 1HG GLU 59 -0.419 10.966 -3.112 426 2HG GLU 59 2HG GLU 59 -0.758 9.349 -3.735 427 H GLU 60 H GLU 60 -3.703 11.207 -6.966 428 HA GLU 60 HA GLU 60 -6.114 12.386 -6.035 429 1HB GLU 60 1HB GLU 60 -4.532 12.347 -8.536 430 2HB GLU 60 2HB GLU 60 -6.265 12.323 -8.862 431 1HG GLU 60 1HG GLU 60 -6.628 14.289 -7.436 432 2HG GLU 60 2HG GLU 60 -4.895 14.349 -7.060 433 H GLU 61 H GLU 61 -5.525 9.320 -7.685 434 HA GLU 61 HA GLU 61 -8.389 8.815 -8.086 435 1HB GLU 61 1HB GLU 61 -5.924 7.154 -8.780 436 2HB GLU 61 2HB GLU 61 -7.573 6.920 -9.356 437 1HG GLU 61 1HG GLU 61 -5.700 9.231 -10.006 438 2HG GLU 61 2HG GLU 61 -6.273 7.980 -11.109 439 H LEU 62 H LEU 62 -9.204 6.686 -7.468 440 HA LEU 62 HA LEU 62 -7.965 5.458 -5.102 441 1HB LEU 62 1HB LEU 62 -10.830 6.545 -5.121 442 2HB LEU 62 2HB LEU 62 -10.106 5.515 -3.891 443 HG LEU 62 HG LEU 62 -8.302 7.511 -3.780 444 1HD1 LEU 62 1HD1 LEU 62 -9.399 9.694 -3.963 445 2HD1 LEU 62 2HD1 LEU 62 -9.527 8.907 -5.539 446 3HD1 LEU 62 3HD1 LEU 62 -10.925 8.935 -4.459 447 1HD2 LEU 62 1HD2 LEU 62 -9.561 6.608 -1.916 448 2HD2 LEU 62 2HD2 LEU 62 -9.554 8.386 -1.883 449 3HD2 LEU 62 3HD2 LEU 62 -11.009 7.516 -2.417 450 H LEU 63 H LEU 63 -8.457 3.382 -4.841 451 HA LEU 63 HA LEU 63 -9.663 1.827 -6.978 452 1HB LEU 63 1HB LEU 63 -8.593 1.097 -4.228 453 2HB LEU 63 2HB LEU 63 -9.053 -0.062 -5.479 454 HG LEU 63 HG LEU 63 -6.884 2.056 -5.907 455 1HD1 LEU 63 1HD1 LEU 63 -5.270 0.284 -5.370 456 2HD1 LEU 63 2HD1 LEU 63 -6.297 0.681 -3.984 457 3HD1 LEU 63 3HD1 LEU 63 -6.611 -0.800 -4.921 458 1HD2 LEU 63 1HD2 LEU 63 -6.125 0.535 -7.678 459 2HD2 LEU 63 2HD2 LEU 63 -7.422 -0.607 -7.287 460 3HD2 LEU 63 3HD2 LEU 63 -7.810 0.984 -7.980 461 H ASN 64 H ASN 64 -11.877 2.057 -7.036 462 HA ASN 64 HA ASN 64 -13.439 2.300 -4.522 463 1HB ASN 64 1HB ASN 64 -15.200 3.179 -5.917 464 2HB ASN 64 2HB ASN 64 -13.706 4.108 -6.109 465 1HD2 ASN 64 1HD2 ASN 64 -15.296 3.454 -9.483 466 2HD2 ASN 64 2HD2 ASN 64 -15.915 4.131 -7.988 467 H ALA 65 H ALA 65 -13.552 0.513 -7.679 468 HA ALA 65 HA ALA 65 -15.735 -1.104 -6.761 469 1HB ALA 65 1HB ALA 65 -15.290 -0.663 -9.154 470 2HB ALA 65 2HB ALA 65 -13.802 -1.633 -9.053 471 3HB ALA 65 3HB ALA 65 -15.375 -2.403 -8.807 472 HA PRO 66 HA PRO 66 -13.315 -3.966 -4.306 473 1HB PRO 66 1HB PRO 66 -14.954 -6.184 -4.284 474 2HB PRO 66 2HB PRO 66 -15.249 -4.714 -3.325 475 1HG PRO 66 1HG PRO 66 -16.435 -5.433 -6.013 476 2HG PRO 66 2HG PRO 66 -17.300 -4.843 -4.562 477 1HD PRO 66 1HD PRO 66 -16.618 -3.177 -6.574 478 2HD PRO 66 2HD PRO 66 -16.450 -2.626 -4.879 479 H GLY 67 H GLY 67 -11.867 -5.725 -4.673 480 1HA GLY 67 1HA GLY 67 -11.093 -7.606 -5.841 481 2HA GLY 67 2HA GLY 67 -12.071 -7.214 -7.251 482 H GLU 68 H GLU 68 -11.192 -4.347 -7.319 483 HA GLU 68 HA GLU 68 -9.157 -4.446 -9.154 484 1HB GLU 68 1HB GLU 68 -9.727 -2.275 -7.105 485 2HB GLU 68 2HB GLU 68 -8.691 -2.071 -8.530 486 1HG GLU 68 1HG GLU 68 -10.540 -2.544 -10.041 487 2HG GLU 68 2HG GLU 68 -11.638 -2.846 -8.696 488 H THR 69 H THR 69 -7.095 -5.172 -9.101 489 HA THR 69 HA THR 69 -5.590 -5.319 -6.558 490 HB THR 69 HB THR 69 -4.095 -6.713 -8.101 491 HG1 THR 69 HG1 THR 69 -5.070 -5.864 -10.010 492 1HG2 THR 69 1HG2 THR 69 -6.933 -7.698 -7.626 493 2HG2 THR 69 2HG2 THR 69 -5.492 -8.701 -7.881 494 3HG2 THR 69 3HG2 THR 69 -5.617 -7.681 -6.428 495 OH TYR 70 OH TYR 70 1.804 1.704 -7.266 496 H TYR 70 H TYR 70 -4.157 -3.765 -6.179 497 HA TYR 70 HA TYR 70 -2.836 -2.330 -8.458 498 1HB TYR 70 1HB TYR 70 -3.804 -0.823 -6.836 499 2HB TYR 70 2HB TYR 70 -3.045 -1.647 -5.509 500 HD1 TYR 70 HD2 TYR 70 -2.048 -0.115 -8.811 501 HD2 TYR 70 HD1 TYR 70 -1.053 -0.683 -4.652 502 HE1 TYR 70 HE2 TYR 70 0.052 1.158 -9.133 503 HE2 TYR 70 HE1 TYR 70 1.022 0.624 -4.973 504 HH TYR 70 HH TYR 70 2.290 1.829 -6.444 505 H VAL 71 H VAL 71 -1.087 -3.488 -9.106 506 HA VAL 71 HA VAL 71 0.433 -5.042 -7.127 507 HB VAL 71 HB VAL 71 0.818 -4.941 -10.134 508 1HG1 VAL 71 1HG1 VAL 71 1.860 -7.190 -9.675 509 2HG1 VAL 71 2HG1 VAL 71 2.735 -5.861 -8.902 510 3HG1 VAL 71 3HG1 VAL 71 1.656 -6.886 -7.935 511 1HG2 VAL 71 1HG2 VAL 71 -0.478 -7.085 -10.148 512 2HG2 VAL 71 2HG2 VAL 71 -0.924 -6.795 -8.454 513 3HG2 VAL 71 3HG2 VAL 71 -1.480 -5.693 -9.730 514 H VAL 72 H VAL 72 2.574 -4.553 -6.547 515 HA VAL 72 HA VAL 72 4.043 -2.487 -8.032 516 HB VAL 72 HB VAL 72 2.725 -1.169 -6.452 517 1HG1 VAL 72 1HG1 VAL 72 4.087 -2.722 -4.211 518 2HG1 VAL 72 2HG1 VAL 72 3.005 -1.329 -4.046 519 3HG1 VAL 72 3HG1 VAL 72 2.376 -2.864 -4.676 520 1HG2 VAL 72 1HG2 VAL 72 4.524 0.064 -5.388 521 2HG2 VAL 72 2HG2 VAL 72 5.651 -1.280 -5.617 522 3HG2 VAL 72 3HG2 VAL 72 5.000 -0.414 -7.029 523 H THR 73 H THR 73 6.282 -2.744 -7.819 524 HA THR 73 HA THR 73 7.180 -5.155 -6.302 525 HB THR 73 HB THR 73 8.364 -4.043 -8.867 526 HG1 THR 73 HG1 THR 73 7.163 -5.701 -9.881 527 1HG2 THR 73 1HG2 THR 73 9.302 -6.334 -9.036 528 2HG2 THR 73 2HG2 THR 73 9.796 -5.584 -7.509 529 3HG2 THR 73 3HG2 THR 73 8.483 -6.783 -7.529 530 H LEU 74 H LEU 74 8.634 -4.746 -4.717 531 HA LEU 74 HA LEU 74 10.030 -2.096 -4.718 532 1HB LEU 74 1HB LEU 74 9.596 -3.962 -2.382 533 2HB LEU 74 2HB LEU 74 10.208 -2.295 -2.408 534 HG LEU 74 HG LEU 74 7.362 -3.166 -3.068 535 1HD1 LEU 74 1HD1 LEU 74 7.954 -3.288 -0.660 536 2HD1 LEU 74 2HD1 LEU 74 8.500 -1.600 -0.710 537 3HD1 LEU 74 3HD1 LEU 74 6.791 -1.991 -0.988 538 1HD2 LEU 74 1HD2 LEU 74 7.949 -1.164 -4.387 539 2HD2 LEU 74 2HD2 LEU 74 6.878 -0.712 -3.055 540 3HD2 LEU 74 3HD2 LEU 74 8.620 -0.393 -2.932 541 H ASP 75 H ASP 75 11.831 -2.452 -5.903 542 HA ASP 75 HA ASP 75 13.441 -4.858 -5.724 543 1HB ASP 75 1HB ASP 75 13.344 -3.619 -7.793 544 2HB ASP 75 2HB ASP 75 13.903 -2.135 -7.003 545 H THR 76 H THR 76 14.108 -1.446 -4.782 546 HA THR 76 HA THR 76 16.601 -2.085 -3.586 547 HB THR 76 HB THR 76 14.886 0.388 -3.121 548 HG1 THR 76 HG1 THR 76 16.402 -0.409 -5.379 549 1HG2 THR 76 1HG2 THR 76 17.007 0.323 -1.853 550 2HG2 THR 76 2HG2 THR 76 17.907 0.000 -3.353 551 3HG2 THR 76 3HG2 THR 76 17.060 1.546 -3.134 552 H LYS 77 H LYS 77 17.087 -2.741 -1.564 553 HA LYS 77 HA LYS 77 15.087 -3.499 0.328 554 1HB LYS 77 1HB LYS 77 18.101 -3.128 0.594 555 2HB LYS 77 2HB LYS 77 17.067 -3.866 1.831 556 1HG LYS 77 1HG LYS 77 16.297 -5.540 0.149 557 2HG LYS 77 2HG LYS 77 17.502 -4.947 -0.995 558 1HD LYS 77 1HD LYS 77 18.062 -6.131 1.771 559 2HD LYS 77 2HD LYS 77 18.273 -6.953 0.213 560 1HE LYS 77 1HE LYS 77 19.982 -5.238 -0.432 561 2HE LYS 77 2HE LYS 77 19.833 -4.515 1.183 562 1HZ LYS 77 1HZ LYS 77 21.651 -6.024 1.067 563 2HZ LYS 77 2HZ LYS 77 20.518 -6.595 2.117 564 3HZ LYS 77 3HZ LYS 77 20.667 -7.268 0.620 565 H GLY 78 H GLY 78 14.785 -2.745 2.482 566 1HA GLY 78 1HA GLY 78 15.624 -0.782 3.986 567 2HA GLY 78 2HA GLY 78 14.927 0.225 2.702 568 H THR 79 H THR 79 13.547 0.971 4.521 569 HA THR 79 HA THR 79 11.189 -0.815 4.965 570 HB THR 79 HB THR 79 12.325 1.349 6.778 571 HG1 THR 79 HG1 THR 79 13.506 -0.631 6.713 572 1HG2 THR 79 1HG2 THR 79 10.660 0.457 8.387 573 2HG2 THR 79 2HG2 THR 79 9.872 1.178 6.969 574 3HG2 THR 79 3HG2 THR 79 9.991 -0.592 7.120 575 OH TYR 80 OH TYR 80 12.243 0.124 -2.356 576 H TYR 80 H TYR 80 9.419 -0.117 3.963 577 HA TYR 80 HA TYR 80 9.275 2.714 3.014 578 1HB TYR 80 1HB TYR 80 8.116 0.129 1.927 579 2HB TYR 80 2HB TYR 80 7.706 1.729 1.349 580 HD1 TYR 80 HD2 TYR 80 10.790 -0.386 1.901 581 HD2 TYR 80 HD1 TYR 80 8.634 2.305 -0.698 582 HE1 TYR 80 HE2 TYR 80 12.423 -0.790 0.126 583 HE2 TYR 80 HE1 TYR 80 10.251 1.835 -2.504 584 HH TYR 80 HH TYR 80 12.877 -0.551 -2.087 585 H SER 81 H SER 81 7.702 3.893 4.022 586 HA SER 81 HA SER 81 5.539 2.448 5.510 587 1HB SER 81 1HB SER 81 6.249 5.381 5.617 588 2HB SER 81 2HB SER 81 5.224 4.462 6.729 589 HG SER 81 HG SER 81 7.998 4.001 6.260 590 H PHE 82 H PHE 82 3.397 2.555 4.809 591 HA PHE 82 HA PHE 82 2.740 4.522 2.704 592 1HB PHE 82 1HB PHE 82 1.535 2.800 1.412 593 2HB PHE 82 2HB PHE 82 3.232 2.540 1.456 594 HD1 PHE 82 HD2 PHE 82 -0.033 1.433 2.812 595 HD2 PHE 82 HD1 PHE 82 4.160 0.399 2.472 596 HE1 PHE 82 HE2 PHE 82 -0.469 -0.768 3.838 597 HE2 PHE 82 HE1 PHE 82 3.686 -1.767 3.530 598 HZ PHE 82 HZ PHE 82 1.391 -2.341 4.260 599 OH TYR 83 OH TYR 83 1.250 10.436 1.663 600 H TYR 83 H TYR 83 0.424 4.602 2.235 601 HA TYR 83 HA TYR 83 -1.365 3.950 4.439 602 1HB TYR 83 1HB TYR 83 -1.878 6.332 4.972 603 2HB TYR 83 2HB TYR 83 -0.242 5.857 5.416 604 HD1 TYR 83 HD1 TYR 83 -2.250 7.878 3.048 605 HD2 TYR 83 HD2 TYR 83 1.720 6.788 4.321 606 HE1 TYR 83 HE1 TYR 83 -1.320 9.794 1.786 607 HE2 TYR 83 HE2 TYR 83 2.645 8.698 3.045 608 HH TYR 83 HH TYR 83 0.585 10.973 1.229 609 H CYS 84 H CYS 84 -3.524 4.798 4.152 610 HA CYS 84 HA CYS 84 -4.349 5.026 1.268 611 1HB CYS 84 1HB CYS 84 -5.335 3.073 2.381 612 2HB CYS 84 2HB CYS 84 -5.709 4.063 3.804 613 H SER 85 H SER 85 -4.193 7.139 0.913 614 HA SER 85 HA SER 85 -4.206 9.196 2.544 615 1HB SER 85 1HB SER 85 -5.137 10.670 0.689 616 2HB SER 85 2HB SER 85 -3.697 9.693 0.382 617 HG SER 85 HG SER 85 -5.124 8.107 -0.555 618 HA PRO 86 HA PRO 86 -8.802 10.417 2.862 619 1HB PRO 86 1HB PRO 86 -10.789 8.573 2.389 620 2HB PRO 86 2HB PRO 86 -10.109 9.639 1.129 621 1HG PRO 86 1HG PRO 86 -9.219 6.813 1.801 622 2HG PRO 86 2HG PRO 86 -9.757 7.428 0.216 623 1HD PRO 86 1HD PRO 86 -7.135 7.369 0.721 624 2HD PRO 86 2HD PRO 86 -7.818 8.886 0.067 625 H HIS 87 H HIS 87 -7.492 7.345 3.907 626 HA HIS 87 HA HIS 87 -9.018 7.564 6.482 627 1HB HIS 87 1HB HIS 87 -7.948 5.134 5.055 628 2HB HIS 87 2HB HIS 87 -8.736 5.130 6.640 629 HD2 HIS 87 HD2 HIS 87 -11.338 6.702 6.256 630 HE1 HIS 87 HE1 HIS 87 -12.217 4.065 3.041 631 HE2 HIS 87 HE2 HIS 87 -13.198 5.715 4.704 632 H GLN 88 H GLN 88 -6.140 8.463 5.228 633 HA GLN 88 HA GLN 88 -4.216 7.157 6.838 634 1HB GLN 88 1HB GLN 88 -3.700 8.602 4.919 635 2HB GLN 88 2HB GLN 88 -4.269 10.029 5.798 636 1HG GLN 88 1HG GLN 88 -2.473 9.715 7.480 637 2HG GLN 88 2HG GLN 88 -1.959 8.231 6.657 638 1HE2 GLN 88 1HE2 GLN 88 0.446 10.518 5.272 639 2HE2 GLN 88 2HE2 GLN 88 0.186 9.406 6.603 640 H GLY 89 H GLY 89 -6.119 10.132 7.394 641 1HA GLY 89 1HA GLY 89 -5.245 10.761 10.004 642 2HA GLY 89 2HA GLY 89 -6.827 11.173 9.315 643 H ALA 90 H ALA 90 -7.554 8.308 8.866 644 HA ALA 90 HA ALA 90 -8.572 7.728 11.556 645 1HB ALA 90 1HB ALA 90 -10.048 7.646 9.567 646 2HB ALA 90 2HB ALA 90 -9.070 6.315 8.907 647 3HB ALA 90 3HB ALA 90 -9.964 6.095 10.421 648 H GLY 91 H GLY 91 -5.611 7.121 10.216 649 1HA GLY 91 1HA GLY 91 -3.988 5.789 11.115 650 2HA GLY 91 2HA GLY 91 -5.184 4.806 11.960 651 H MET 92 H MET 92 -5.909 5.199 8.542 652 HA MET 92 HA MET 92 -5.215 2.381 8.171 653 1HB MET 92 1HB MET 92 -7.272 3.347 7.194 654 2HB MET 92 2HB MET 92 -6.258 4.279 6.071 655 1HG MET 92 1HG MET 92 -5.354 2.258 5.095 656 2HG MET 92 2HG MET 92 -5.968 1.269 6.404 657 1HE MET 92 1HE MET 92 -7.620 -0.406 3.461 658 2HE MET 92 2HE MET 92 -6.032 0.387 3.437 659 3HE MET 92 3HE MET 92 -6.541 -0.540 4.861 660 H VAL 93 H VAL 93 -3.022 2.677 8.681 661 HA VAL 93 HA VAL 93 -1.303 3.480 6.392 662 HB VAL 93 HB VAL 93 0.393 4.197 7.877 663 1HG1 VAL 93 1HG1 VAL 93 -0.592 6.177 8.817 664 2HG1 VAL 93 2HG1 VAL 93 -1.485 5.808 7.331 665 3HG1 VAL 93 3HG1 VAL 93 -2.198 5.434 8.908 666 1HG2 VAL 93 1HG2 VAL 93 -1.463 3.382 10.142 667 2HG2 VAL 93 2HG2 VAL 93 0.086 2.618 9.712 668 3HG2 VAL 93 3HG2 VAL 93 0.061 4.280 10.326 669 H GLY 94 H GLY 94 0.852 2.279 6.472 670 1HA GLY 94 1HA GLY 94 0.920 -0.272 7.830 671 2HA GLY 94 2HA GLY 94 0.574 -0.429 6.101 672 H LYS 95 H LYS 95 2.921 -1.530 6.875 673 HA LYS 95 HA LYS 95 4.955 0.275 5.784 674 1HB LYS 95 1HB LYS 95 4.811 0.706 8.283 675 2HB LYS 95 2HB LYS 95 5.245 -1.000 8.530 676 1HG LYS 95 1HG LYS 95 7.435 -0.614 7.507 677 2HG LYS 95 2HG LYS 95 6.950 1.011 6.997 678 1HD LYS 95 1HD LYS 95 8.382 1.173 8.933 679 2HD LYS 95 2HD LYS 95 6.778 1.757 9.342 680 1HE LYS 95 1HE LYS 95 7.555 -1.134 9.924 681 2HE LYS 95 2HE LYS 95 8.103 0.168 10.988 682 1HZ LYS 95 1HZ LYS 95 6.062 -0.821 11.714 683 2HZ LYS 95 2HZ LYS 95 5.891 0.792 11.408 684 3HZ LYS 95 3HZ LYS 95 5.287 -0.318 10.353 685 H VAL 96 H VAL 96 6.601 -0.858 4.773 686 HA VAL 96 HA VAL 96 6.530 -3.800 5.061 687 HB VAL 96 HB VAL 96 5.149 -3.438 3.270 688 1HG1 VAL 96 1HG1 VAL 96 5.640 -2.198 1.256 689 2HG1 VAL 96 2HG1 VAL 96 5.952 -1.085 2.595 690 3HG1 VAL 96 3HG1 VAL 96 7.305 -1.894 1.777 691 1HG2 VAL 96 1HG2 VAL 96 7.827 -4.163 2.106 692 2HG2 VAL 96 2HG2 VAL 96 6.796 -5.261 3.070 693 3HG2 VAL 96 3HG2 VAL 96 6.216 -4.620 1.515 694 H THR 97 H THR 97 8.385 -4.654 5.388 695 HA THR 97 HA THR 97 10.875 -3.062 5.065 696 HB THR 97 HB THR 97 10.466 -5.663 6.563 697 HG1 THR 97 HG1 THR 97 10.437 -2.979 7.482 698 1HG2 THR 97 1HG2 THR 97 12.625 -3.500 6.727 699 2HG2 THR 97 2HG2 THR 97 12.522 -4.957 7.734 700 3HG2 THR 97 3HG2 THR 97 12.846 -5.100 5.997 701 H VAL 98 H VAL 98 11.719 -3.262 3.055 702 HA VAL 98 HA VAL 98 11.427 -5.704 1.507 703 HB VAL 98 HB VAL 98 12.926 -3.140 0.914 704 1HG1 VAL 98 1HG1 VAL 98 12.779 -3.949 -1.432 705 2HG1 VAL 98 2HG1 VAL 98 13.663 -5.129 -0.452 706 3HG1 VAL 98 3HG1 VAL 98 11.971 -5.429 -0.886 707 1HG2 VAL 98 1HG2 VAL 98 10.132 -4.086 0.144 708 2HG2 VAL 98 2HG2 VAL 98 10.498 -2.749 1.251 709 3HG2 VAL 98 3HG2 VAL 98 10.949 -2.632 -0.447 710 H ASN 99 H ASN 99 12.539 -7.340 2.275 711 HA ASN 99 HA ASN 99 15.152 -7.072 3.617 712 1HB ASN 99 1HB ASN 99 13.180 -9.341 3.131 713 2HB ASN 99 2HB ASN 99 14.819 -9.636 3.716 714 1HD2 ASN 99 1HD2 ASN 99 12.335 -7.574 6.282 715 2HD2 ASN 99 2HD2 ASN 99 12.067 -7.327 4.563 Start of MODEL 16 Raw file had 715 H/Q atoms Start of MODEL 16 1 H LEU 1 H LEU 1 3.589 -10.316 -2.850 2 HA LEU 1 HA LEU 1 1.963 -12.281 -1.364 3 1HB LEU 1 1HB LEU 1 3.944 -11.437 -0.302 4 2HB LEU 1 2HB LEU 1 3.371 -9.763 -0.421 5 HG LEU 1 HG LEU 1 1.634 -11.755 1.032 6 1HD1 LEU 1 1HD1 LEU 1 2.923 -11.453 3.116 7 2HD1 LEU 1 2HD1 LEU 1 3.877 -12.297 1.886 8 3HD1 LEU 1 3HD1 LEU 1 4.181 -10.578 2.219 9 1HD2 LEU 1 1HD2 LEU 1 0.983 -9.318 0.794 10 2HD2 LEU 1 2HD2 LEU 1 1.181 -9.819 2.476 11 3HD2 LEU 1 3HD2 LEU 1 2.450 -8.877 1.673 12 H GLU 2 H GLU 2 -0.053 -11.916 -0.708 13 HA GLU 2 HA GLU 2 -1.557 -9.742 -2.031 14 1HB GLU 2 1HB GLU 2 -2.470 -12.253 -0.582 15 2HB GLU 2 2HB GLU 2 -3.546 -11.030 -1.280 16 1HG GLU 2 1HG GLU 2 -2.495 -11.343 -3.501 17 2HG GLU 2 2HG GLU 2 -1.470 -12.632 -2.845 18 H VAL 3 H VAL 3 -2.285 -8.009 -1.050 19 HA VAL 3 HA VAL 3 -2.473 -7.933 1.929 20 HB VAL 3 HB VAL 3 -1.792 -5.643 0.044 21 1HG1 VAL 3 1HG1 VAL 3 -1.900 -5.867 3.085 22 2HG1 VAL 3 2HG1 VAL 3 -1.296 -4.458 2.199 23 3HG1 VAL 3 3HG1 VAL 3 -3.001 -4.921 2.060 24 1HG2 VAL 3 1HG2 VAL 3 0.129 -7.155 0.158 25 2HG2 VAL 3 2HG2 VAL 3 0.445 -5.667 1.055 26 3HG2 VAL 3 3HG2 VAL 3 0.051 -7.156 1.935 27 H LEU 4 H LEU 4 -4.583 -7.660 2.571 28 HA LEU 4 HA LEU 4 -6.586 -6.932 0.484 29 1HB LEU 4 1HB LEU 4 -7.009 -7.962 3.301 30 2HB LEU 4 2HB LEU 4 -8.220 -7.736 2.049 31 HG LEU 4 HG LEU 4 -5.987 -9.797 2.123 32 1HD1 LEU 4 1HD1 LEU 4 -9.032 -10.005 1.984 33 2HD1 LEU 4 2HD1 LEU 4 -7.892 -11.367 2.091 34 3HD1 LEU 4 3HD1 LEU 4 -8.047 -10.235 3.448 35 1HD2 LEU 4 1HD2 LEU 4 -6.959 -10.642 -0.041 36 2HD2 LEU 4 2HD2 LEU 4 -7.888 -9.133 -0.168 37 3HD2 LEU 4 3HD2 LEU 4 -6.104 -9.107 -0.200 38 H LEU 5 H LEU 5 -7.304 -4.804 0.361 39 HA LEU 5 HA LEU 5 -6.858 -2.999 2.624 40 1HB LEU 5 1HB LEU 5 -8.520 -2.551 0.117 41 2HB LEU 5 2HB LEU 5 -8.029 -1.411 1.368 42 HG LEU 5 HG LEU 5 -6.673 -0.801 -0.210 43 1HD1 LEU 5 1HD1 LEU 5 -4.918 -2.920 1.029 44 2HD1 LEU 5 2HD1 LEU 5 -4.405 -1.428 0.203 45 3HD1 LEU 5 3HD1 LEU 5 -5.322 -1.321 1.717 46 1HD2 LEU 5 1HD2 LEU 5 -6.046 -3.518 -1.267 47 2HD2 LEU 5 2HD2 LEU 5 -7.302 -2.397 -1.891 48 3HD2 LEU 5 3HD2 LEU 5 -5.617 -1.913 -1.928 49 H GLY 6 H GLY 6 -8.058 -3.623 4.383 50 1HA GLY 6 1HA GLY 6 -10.096 -3.195 5.485 51 2HA GLY 6 2HA GLY 6 -11.036 -3.785 4.112 52 H SER 7 H SER 7 -10.435 -4.623 7.166 53 HA SER 7 HA SER 7 -9.704 -7.444 6.836 54 1HB SER 7 1HB SER 7 -10.073 -7.342 9.351 55 2HB SER 7 2HB SER 7 -8.900 -6.212 8.635 56 HG SER 7 HG SER 7 -11.565 -5.597 9.401 57 H GLY 8 H GLY 8 -11.788 -6.923 5.316 58 1HA GLY 8 1HA GLY 8 -13.811 -7.875 4.646 59 2HA GLY 8 2HA GLY 8 -13.839 -8.796 6.156 60 H ASP 9 H ASP 9 -13.999 -7.041 8.100 61 HA ASP 9 HA ASP 9 -16.738 -6.140 8.020 62 1HB ASP 9 1HB ASP 9 -16.455 -5.736 10.342 63 2HB ASP 9 2HB ASP 9 -15.530 -7.198 9.988 64 H GLY 10 H GLY 10 -15.077 -4.652 6.153 65 1HA GLY 10 1HA GLY 10 -14.758 -2.551 5.383 66 2HA GLY 10 2HA GLY 10 -16.090 -2.065 6.435 67 H SER 11 H SER 11 -13.423 -3.274 8.288 68 HA SER 11 HA SER 11 -12.972 -0.630 9.331 69 1HB SER 11 1HB SER 11 -12.741 -2.621 10.723 70 2HB SER 11 2HB SER 11 -11.289 -3.101 9.809 71 HG SER 11 HG SER 11 -10.814 -1.890 11.725 72 H LEU 12 H LEU 12 -11.274 0.755 9.056 73 HA LEU 12 HA LEU 12 -10.038 0.723 6.424 74 1HB LEU 12 1HB LEU 12 -9.810 2.692 8.742 75 2HB LEU 12 2HB LEU 12 -9.373 2.995 7.061 76 HG LEU 12 HG LEU 12 -12.210 2.445 8.070 77 1HD1 LEU 12 1HD1 LEU 12 -10.818 5.002 7.212 78 2HD1 LEU 12 2HD1 LEU 12 -12.564 4.838 7.504 79 3HD1 LEU 12 3HD1 LEU 12 -11.414 4.593 8.829 80 1HD2 LEU 12 1HD2 LEU 12 -12.049 1.637 5.808 81 2HD2 LEU 12 2HD2 LEU 12 -12.839 3.214 5.751 82 3HD2 LEU 12 3HD2 LEU 12 -11.126 3.067 5.303 83 H VAL 13 H VAL 13 -8.882 -1.337 7.050 84 HA VAL 13 HA VAL 13 -6.123 -0.578 7.850 85 HB VAL 13 HB VAL 13 -6.844 -1.394 9.845 86 1HG1 VAL 13 1HG1 VAL 13 -8.102 -3.576 10.155 87 2HG1 VAL 13 2HG1 VAL 13 -9.037 -2.350 9.303 88 3HG1 VAL 13 3HG1 VAL 13 -8.279 -3.673 8.391 89 1HG2 VAL 13 1HG2 VAL 13 -5.684 -3.436 10.303 90 2HG2 VAL 13 2HG2 VAL 13 -5.708 -3.897 8.596 91 3HG2 VAL 13 3HG2 VAL 13 -4.755 -2.485 9.137 92 H PHE 14 H PHE 14 -4.541 -1.775 7.092 93 HA PHE 14 HA PHE 14 -4.982 -3.213 4.507 94 1HB PHE 14 1HB PHE 14 -2.522 -2.151 5.975 95 2HB PHE 14 2HB PHE 14 -2.415 -3.174 4.564 96 HD1 PHE 14 HD1 PHE 14 -3.197 0.210 5.792 97 HD2 PHE 14 HD2 PHE 14 -2.705 -2.315 2.327 98 HE1 PHE 14 HE1 PHE 14 -2.801 2.192 4.360 99 HE2 PHE 14 HE2 PHE 14 -2.221 -0.357 0.973 100 HZ PHE 14 HZ PHE 14 -2.439 1.934 1.920 101 H VAL 15 H VAL 15 -4.967 -5.508 4.592 102 HA VAL 15 HA VAL 15 -3.779 -6.754 7.059 103 HB VAL 15 HB VAL 15 -6.007 -7.777 5.300 104 1HG1 VAL 15 1HG1 VAL 15 -4.813 -8.823 7.907 105 2HG1 VAL 15 2HG1 VAL 15 -6.258 -9.463 7.100 106 3HG1 VAL 15 3HG1 VAL 15 -4.683 -9.603 6.316 107 1HG2 VAL 15 1HG2 VAL 15 -6.033 -6.514 8.073 108 2HG2 VAL 15 2HG2 VAL 15 -6.809 -5.876 6.604 109 3HG2 VAL 15 3HG2 VAL 15 -7.388 -7.383 7.325 110 HA PRO 16 HA PRO 16 -1.870 -7.559 7.620 111 1HB PRO 16 1HB PRO 16 0.803 -7.732 7.327 112 2HB PRO 16 2HB PRO 16 -0.248 -9.176 7.291 113 1HG PRO 16 1HG PRO 16 0.819 -7.630 4.905 114 2HG PRO 16 2HG PRO 16 0.929 -9.390 5.199 115 1HD PRO 16 1HD PRO 16 -1.037 -8.290 3.665 116 2HD PRO 16 2HD PRO 16 -1.381 -9.677 4.726 117 H SER 17 H SER 17 -0.896 -5.706 8.649 118 HA SER 17 HA SER 17 -0.829 -3.284 7.008 119 1HB SER 17 1HB SER 17 -0.247 -3.427 9.985 120 2HB SER 17 2HB SER 17 -0.956 -2.112 9.033 121 HG SER 17 HG SER 17 -2.675 -3.850 8.632 122 H GLU 18 H GLU 18 1.369 -4.938 9.314 123 HA GLU 18 HA GLU 18 3.687 -3.617 8.017 124 1HB GLU 18 1HB GLU 18 3.307 -4.512 10.895 125 2HB GLU 18 2HB GLU 18 4.828 -3.931 10.184 126 1HG GLU 18 1HG GLU 18 3.657 -1.839 9.468 127 2HG GLU 18 2HG GLU 18 2.220 -2.346 10.368 128 H PHE 19 H PHE 19 5.188 -4.910 7.117 129 HA PHE 19 HA PHE 19 5.481 -7.695 7.930 130 1HB PHE 19 1HB PHE 19 4.720 -8.737 5.851 131 2HB PHE 19 2HB PHE 19 3.416 -7.907 6.647 132 HD1 PHE 19 HD1 PHE 19 2.506 -5.736 5.730 133 HD2 PHE 19 HD2 PHE 19 5.427 -8.113 3.629 134 HE1 PHE 19 HE1 PHE 19 1.750 -4.778 3.587 135 HE2 PHE 19 HE2 PHE 19 4.709 -7.094 1.486 136 HZ PHE 19 HZ PHE 19 2.887 -5.402 1.464 137 H SER 20 H SER 20 6.814 -8.899 6.032 138 HA SER 20 HA SER 20 8.910 -7.112 4.997 139 1HB SER 20 1HB SER 20 10.587 -8.789 5.930 140 2HB SER 20 2HB SER 20 9.724 -7.897 7.202 141 HG SER 20 HG SER 20 8.790 -10.391 6.234 142 H VAL 21 H VAL 21 9.773 -7.855 3.038 143 HA VAL 21 HA VAL 21 9.184 -10.595 2.131 144 HB VAL 21 HB VAL 21 8.489 -9.573 -0.127 145 1HG1 VAL 21 1HG1 VAL 21 6.123 -9.512 0.441 146 2HG1 VAL 21 2HG1 VAL 21 6.941 -10.849 1.266 147 3HG1 VAL 21 3HG1 VAL 21 6.517 -9.379 2.162 148 1HG2 VAL 21 1HG2 VAL 21 7.360 -7.423 -0.123 149 2HG2 VAL 21 2HG2 VAL 21 7.739 -7.184 1.590 150 3HG2 VAL 21 3HG2 VAL 21 9.044 -7.204 0.384 151 HA PRO 22 HA PRO 22 13.254 -9.931 0.634 152 1HB PRO 22 1HB PRO 22 13.535 -11.717 -1.421 153 2HB PRO 22 2HB PRO 22 13.392 -12.201 0.293 154 1HG PRO 22 1HG PRO 22 11.215 -12.125 -1.798 155 2HG PRO 22 2HG PRO 22 11.576 -13.435 -0.644 156 1HD PRO 22 1HD PRO 22 9.610 -11.584 -0.176 157 2HD PRO 22 2HD PRO 22 10.599 -12.257 1.149 158 H SER 23 H SER 23 14.446 -8.859 -0.934 159 HA SER 23 HA SER 23 13.324 -6.807 -2.421 160 1HB SER 23 1HB SER 23 15.906 -8.329 -2.967 161 2HB SER 23 2HB SER 23 15.516 -6.715 -3.584 162 HG SER 23 HG SER 23 15.504 -7.348 -0.806 163 H GLY 24 H GLY 24 12.201 -6.645 -4.291 164 1HA GLY 24 1HA GLY 24 11.797 -7.052 -6.544 165 2HA GLY 24 2HA GLY 24 12.658 -8.590 -6.481 166 H GLU 25 H GLU 25 10.750 -8.891 -3.781 167 HA GLU 25 HA GLU 25 8.860 -10.523 -5.212 168 1HB GLU 25 1HB GLU 25 9.828 -10.678 -2.782 169 2HB GLU 25 2HB GLU 25 8.445 -9.667 -2.352 170 1HG GLU 25 1HG GLU 25 8.301 -12.347 -3.852 171 2HG GLU 25 2HG GLU 25 8.209 -12.203 -2.099 172 H LYS 26 H LYS 26 6.676 -10.120 -5.649 173 HA LYS 26 HA LYS 26 5.947 -7.328 -5.985 174 1HB LYS 26 1HB LYS 26 4.002 -8.306 -7.147 175 2HB LYS 26 2HB LYS 26 5.553 -8.816 -7.816 176 1HG LYS 26 1HG LYS 26 5.353 -11.014 -6.825 177 2HG LYS 26 2HG LYS 26 3.957 -10.519 -5.846 178 1HD LYS 26 1HD LYS 26 2.579 -10.277 -7.833 179 2HD LYS 26 2HD LYS 26 3.981 -10.488 -8.896 180 1HE LYS 26 1HE LYS 26 2.622 -12.549 -8.776 181 2HE LYS 26 2HE LYS 26 4.263 -12.809 -8.165 182 1HZ LYS 26 1HZ LYS 26 3.413 -12.622 -5.946 183 2HZ LYS 26 2HZ LYS 26 1.887 -12.338 -6.499 184 3HZ LYS 26 3HZ LYS 26 2.603 -13.797 -6.765 185 H ILE 27 H ILE 27 3.828 -6.508 -5.368 186 HA ILE 27 HA ILE 27 2.646 -7.739 -2.943 187 HB ILE 27 HB ILE 27 2.985 -4.757 -3.284 188 1HG1 ILE 27 1HG1 ILE 27 4.788 -6.609 -1.651 189 2HG1 ILE 27 2HG1 ILE 27 5.269 -5.739 -3.119 190 1HG2 ILE 27 1HG2 ILE 27 1.158 -5.623 -1.824 191 2HG2 ILE 27 2HG2 ILE 27 2.359 -6.530 -0.881 192 3HG2 ILE 27 3HG2 ILE 27 2.369 -4.757 -0.888 193 1HD1 ILE 27 1HD1 ILE 27 4.786 -3.570 -2.003 194 2HD1 ILE 27 2HD1 ILE 27 4.520 -4.452 -0.480 195 3HD1 ILE 27 3HD1 ILE 27 6.101 -4.510 -1.273 196 H VAL 28 H VAL 28 0.497 -7.924 -3.202 197 HA VAL 28 HA VAL 28 -0.880 -6.600 -5.512 198 HB VAL 28 HB VAL 28 -1.315 -9.335 -4.242 199 1HG1 VAL 28 1HG1 VAL 28 -3.441 -8.364 -5.074 200 2HG1 VAL 28 2HG1 VAL 28 -2.668 -8.036 -6.640 201 3HG1 VAL 28 3HG1 VAL 28 -2.905 -9.705 -6.091 202 1HG2 VAL 28 1HG2 VAL 28 -0.173 -8.580 -6.957 203 2HG2 VAL 28 2HG2 VAL 28 0.723 -9.319 -5.612 204 3HG2 VAL 28 3HG2 VAL 28 -0.563 -10.224 -6.416 205 H PHE 29 H PHE 29 -1.742 -4.829 -4.440 206 HA PHE 29 HA PHE 29 -3.062 -5.178 -1.823 207 1HB PHE 29 1HB PHE 29 -2.691 -2.783 -3.599 208 2HB PHE 29 2HB PHE 29 -3.513 -2.766 -2.050 209 HD1 PHE 29 HD2 PHE 29 -2.297 -3.108 0.060 210 HD2 PHE 29 HD1 PHE 29 -0.272 -2.858 -3.730 211 HE1 PHE 29 HE2 PHE 29 -0.188 -2.471 1.232 212 HE2 PHE 29 HE1 PHE 29 1.860 -2.341 -2.530 213 HZ PHE 29 HZ PHE 29 1.885 -2.089 -0.082 214 H LYS 30 H LYS 30 -4.868 -6.445 -2.136 215 HA LYS 30 HA LYS 30 -6.741 -5.942 -4.356 216 1HB LYS 30 1HB LYS 30 -5.987 -8.225 -3.715 217 2HB LYS 30 2HB LYS 30 -6.776 -8.006 -2.152 218 1HG LYS 30 1HG LYS 30 -8.979 -7.764 -3.275 219 2HG LYS 30 2HG LYS 30 -8.183 -7.902 -4.856 220 1HD LYS 30 1HD LYS 30 -7.398 -10.184 -4.261 221 2HD LYS 30 2HD LYS 30 -8.180 -10.039 -2.674 222 1HE LYS 30 1HE LYS 30 -10.389 -9.779 -3.788 223 2HE LYS 30 2HE LYS 30 -9.605 -9.931 -5.375 224 1HZ LYS 30 1HZ LYS 30 -8.898 -12.122 -4.734 225 2HZ LYS 30 2HZ LYS 30 -9.629 -11.975 -3.264 226 3HZ LYS 30 3HZ LYS 30 -10.537 -11.991 -4.638 227 H ASN 31 H ASN 31 -8.595 -4.794 -4.181 228 HA ASN 31 HA ASN 31 -9.318 -3.457 -1.736 229 1HB ASN 31 1HB ASN 31 -9.835 -2.557 -4.006 230 2HB ASN 31 2HB ASN 31 -10.931 -3.903 -4.297 231 1HD2 ASN 31 1HD2 ASN 31 -13.269 -1.334 -3.248 232 2HD2 ASN 31 2HD2 ASN 31 -12.432 -1.995 -4.635 233 H ASN 32 H ASN 32 -10.317 -4.446 0.032 234 HA ASN 32 HA ASN 32 -12.020 -6.838 -0.513 235 1HB ASN 32 1HB ASN 32 -10.066 -7.051 0.991 236 2HB ASN 32 2HB ASN 32 -10.824 -5.932 2.117 237 1HD2 ASN 32 1HD2 ASN 32 -11.898 -8.996 3.606 238 2HD2 ASN 32 2HD2 ASN 32 -10.628 -7.765 3.622 239 H ALA 33 H ALA 33 -11.928 -4.155 1.831 240 HA ALA 33 HA ALA 33 -14.697 -3.359 1.255 241 1HB ALA 33 1HB ALA 33 -14.043 -4.722 3.907 242 2HB ALA 33 2HB ALA 33 -15.588 -3.951 3.485 243 3HB ALA 33 3HB ALA 33 -15.064 -5.404 2.626 244 H GLY 34 H GLY 34 -15.403 -1.604 2.896 245 1HA GLY 34 1HA GLY 34 -14.983 0.348 4.053 246 2HA GLY 34 2HA GLY 34 -13.383 -0.277 4.485 247 H PHE 35 H PHE 35 -14.204 -0.249 1.147 248 HA PHE 35 HA PHE 35 -12.074 1.532 0.373 249 1HB PHE 35 1HB PHE 35 -12.747 0.701 -1.885 250 2HB PHE 35 2HB PHE 35 -12.526 -0.468 -0.651 251 HD1 PHE 35 HD1 PHE 35 -15.335 1.594 -2.046 252 HD2 PHE 35 HD2 PHE 35 -13.903 -2.286 -0.830 253 HE1 PHE 35 HE1 PHE 35 -17.531 0.580 -2.634 254 HE2 PHE 35 HE2 PHE 35 -16.099 -3.278 -1.352 255 HZ PHE 35 HZ PHE 35 -17.875 -1.884 -2.346 256 HA PRO 36 HA PRO 36 -12.433 2.621 -2.180 257 1HB PRO 36 1HB PRO 36 -11.600 4.970 -3.006 258 2HB PRO 36 2HB PRO 36 -13.250 4.402 -3.319 259 1HG PRO 36 1HG PRO 36 -12.394 6.210 -1.029 260 2HG PRO 36 2HG PRO 36 -13.698 6.508 -2.222 261 1HD PRO 36 1HD PRO 36 -14.248 5.364 0.186 262 2HD PRO 36 2HD PRO 36 -15.054 4.771 -1.292 263 H HIS 37 H HIS 37 -10.148 2.647 -2.624 264 HA HIS 37 HA HIS 37 -8.409 3.593 -0.441 265 1HB HIS 37 1HB HIS 37 -8.624 0.710 -1.385 266 2HB HIS 37 2HB HIS 37 -7.379 1.236 -0.283 267 HD2 HIS 37 HD2 HIS 37 -10.172 -0.803 -0.193 268 HE1 HIS 37 HE1 HIS 37 -10.372 1.013 3.633 269 HE2 HIS 37 HE2 HIS 37 -11.040 -1.016 2.247 270 H ASN 38 H ASN 38 -6.101 3.385 -0.854 271 HA ASN 38 HA ASN 38 -5.192 2.628 -3.458 272 1HB ASN 38 1HB ASN 38 -4.263 4.820 -4.071 273 2HB ASN 38 2HB ASN 38 -6.015 4.854 -4.005 274 1HD2 ASN 38 1HD2 ASN 38 -5.387 7.977 -2.465 275 2HD2 ASN 38 2HD2 ASN 38 -5.667 7.195 -4.016 276 H VAL 39 H VAL 39 -2.694 3.379 -3.412 277 HA VAL 39 HA VAL 39 -1.661 2.998 -0.644 278 HB VAL 39 HB VAL 39 -0.656 1.509 -3.096 279 1HG1 VAL 39 1HG1 VAL 39 1.033 1.989 -1.308 280 2HG1 VAL 39 2HG1 VAL 39 -0.032 1.201 -0.122 281 3HG1 VAL 39 3HG1 VAL 39 0.671 0.271 -1.461 282 1HG2 VAL 39 1HG2 VAL 39 -2.564 0.672 -0.879 283 2HG2 VAL 39 2HG2 VAL 39 -2.778 0.514 -2.633 284 3HG2 VAL 39 3HG2 VAL 39 -1.595 -0.489 -1.788 285 H VAL 40 H VAL 40 -0.558 4.765 -0.232 286 HA VAL 40 HA VAL 40 1.138 6.009 -2.327 287 HB VAL 40 HB VAL 40 -0.165 7.324 0.090 288 1HG1 VAL 40 1HG1 VAL 40 1.266 8.489 -2.350 289 2HG1 VAL 40 2HG1 VAL 40 0.521 9.424 -1.044 290 3HG1 VAL 40 3HG1 VAL 40 1.930 8.405 -0.708 291 1HG2 VAL 40 1HG2 VAL 40 -1.662 8.461 -1.544 292 2HG2 VAL 40 2HG2 VAL 40 -1.051 7.393 -2.822 293 3HG2 VAL 40 3HG2 VAL 40 -1.965 6.727 -1.451 294 H PHE 41 H PHE 41 3.297 6.061 -1.774 295 HA PHE 41 HA PHE 41 4.085 4.845 0.810 296 1HB PHE 41 1HB PHE 41 5.529 5.374 -1.784 297 2HB PHE 41 2HB PHE 41 6.342 4.835 -0.333 298 HD1 PHE 41 HD2 PHE 41 5.903 2.654 0.700 299 HD2 PHE 41 HD1 PHE 41 3.958 3.796 -2.950 300 HE1 PHE 41 HE2 PHE 41 5.426 0.259 0.212 301 HE2 PHE 41 HE1 PHE 41 3.299 1.432 -3.341 302 HZ PHE 41 HZ PHE 41 4.074 -0.345 -1.784 303 H ASP 42 H ASP 42 5.155 5.969 2.377 304 HA ASP 42 HA ASP 42 4.933 8.850 2.324 305 1HB ASP 42 1HB ASP 42 4.656 7.512 4.373 306 2HB ASP 42 2HB ASP 42 6.361 7.038 4.279 307 H GLU 43 H GLU 43 6.142 9.898 0.937 308 HA GLU 43 HA GLU 43 8.456 9.500 -0.303 309 1HB GLU 43 1HB GLU 43 8.707 11.908 -0.487 310 2HB GLU 43 2HB GLU 43 7.028 11.409 -0.682 311 1HG GLU 43 1HG GLU 43 8.267 12.718 1.786 312 2HG GLU 43 2HG GLU 43 7.179 13.471 0.624 313 H ASP 44 H ASP 44 8.412 10.481 3.134 314 HA ASP 44 HA ASP 44 11.351 10.787 3.154 315 1HB ASP 44 1HB ASP 44 9.249 10.962 5.360 316 2HB ASP 44 2HB ASP 44 10.984 11.181 5.589 317 H GLU 45 H GLU 45 8.911 8.643 4.665 318 HA GLU 45 HA GLU 45 10.982 6.851 5.687 319 1HB GLU 45 1HB GLU 45 7.974 6.605 5.810 320 2HB GLU 45 2HB GLU 45 9.157 5.702 6.769 321 1HG GLU 45 1HG GLU 45 8.559 8.700 6.910 322 2HG GLU 45 2HG GLU 45 8.198 7.476 8.124 323 H ILE 46 H ILE 46 11.570 6.779 3.264 324 HA ILE 46 HA ILE 46 11.168 4.020 2.412 325 HB ILE 46 HB ILE 46 10.901 4.717 0.019 326 1HG1 ILE 46 1HG1 ILE 46 10.147 7.437 1.115 327 2HG1 ILE 46 2HG1 ILE 46 11.649 7.071 0.268 328 1HG2 ILE 46 1HG2 ILE 46 8.538 4.937 0.014 329 2HG2 ILE 46 2HG2 ILE 46 8.996 3.855 1.319 330 3HG2 ILE 46 3HG2 ILE 46 8.504 5.512 1.691 331 1HD1 ILE 46 1HD1 ILE 46 10.290 6.311 -1.719 332 2HD1 ILE 46 2HD1 ILE 46 8.854 6.978 -0.903 333 3HD1 ILE 46 3HD1 ILE 46 10.205 8.039 -1.336 334 HA PRO 47 HA PRO 47 15.510 4.535 1.742 335 1HB PRO 47 1HB PRO 47 15.157 3.493 -1.072 336 2HB PRO 47 2HB PRO 47 16.352 3.004 0.157 337 1HG PRO 47 1HG PRO 47 14.182 1.464 -0.302 338 2HG PRO 47 2HG PRO 47 14.681 1.811 1.380 339 1HD PRO 47 1HD PRO 47 12.476 3.160 -0.192 340 2HD PRO 47 2HD PRO 47 12.464 2.527 1.478 341 H ALA 48 H ALA 48 16.117 6.651 1.615 342 HA ALA 48 HA ALA 48 15.123 8.655 -0.013 343 1HB ALA 48 1HB ALA 48 17.143 9.923 0.598 344 2HB ALA 48 2HB ALA 48 16.449 9.075 1.995 345 3HB ALA 48 3HB ALA 48 17.907 8.436 1.200 346 H GLY 49 H GLY 49 15.033 8.602 -2.165 347 1HA GLY 49 1HA GLY 49 16.597 9.150 -4.121 348 2HA GLY 49 2HA GLY 49 17.312 7.558 -3.802 349 H VAL 50 H VAL 50 14.638 6.418 -2.930 350 HA VAL 50 HA VAL 50 13.814 5.565 -5.584 351 HB VAL 50 HB VAL 50 12.704 4.994 -2.806 352 1HG1 VAL 50 1HG1 VAL 50 10.898 4.661 -4.424 353 2HG1 VAL 50 2HG1 VAL 50 12.006 3.813 -5.527 354 3HG1 VAL 50 3HG1 VAL 50 11.556 3.080 -3.980 355 1HG2 VAL 50 1HG2 VAL 50 14.360 3.293 -4.733 356 2HG2 VAL 50 2HG2 VAL 50 15.015 4.112 -3.304 357 3HG2 VAL 50 3HG2 VAL 50 13.813 2.825 -3.110 358 H ASP 51 H ASP 51 12.504 6.734 -6.860 359 HA ASP 51 HA ASP 51 11.112 9.064 -6.036 360 1HB ASP 51 1HB ASP 51 11.788 8.820 -8.335 361 2HB ASP 51 2HB ASP 51 10.872 7.310 -8.507 362 H ALA 52 H ALA 52 9.593 8.861 -4.475 363 HA ALA 52 HA ALA 52 7.890 6.803 -3.833 364 1HB ALA 52 1HB ALA 52 8.184 8.859 -2.497 365 2HB ALA 52 2HB ALA 52 7.205 9.764 -3.671 366 3HB ALA 52 3HB ALA 52 6.476 8.442 -2.732 367 H VAL 53 H VAL 53 7.380 9.323 -6.321 368 HA VAL 53 HA VAL 53 4.678 8.742 -6.895 369 HB VAL 53 HB VAL 53 6.802 9.852 -8.770 370 1HG1 VAL 53 1HG1 VAL 53 4.815 9.231 -10.039 371 2HG1 VAL 53 2HG1 VAL 53 3.761 10.021 -8.844 372 3HG1 VAL 53 3HG1 VAL 53 4.859 10.984 -9.854 373 1HG2 VAL 53 1HG2 VAL 53 5.917 12.066 -8.043 374 2HG2 VAL 53 2HG2 VAL 53 4.900 11.256 -6.835 375 3HG2 VAL 53 3HG2 VAL 53 6.671 11.208 -6.701 376 H LYS 54 H LYS 54 7.617 6.952 -7.866 377 HA LYS 54 HA LYS 54 6.192 5.640 -10.050 378 1HB LYS 54 1HB LYS 54 8.085 4.627 -10.631 379 2HB LYS 54 2HB LYS 54 8.763 6.018 -9.787 380 1HG LYS 54 1HG LYS 54 9.069 4.509 -7.758 381 2HG LYS 54 2HG LYS 54 8.465 3.158 -8.743 382 1HD LYS 54 1HD LYS 54 10.299 3.602 -10.402 383 2HD LYS 54 2HD LYS 54 10.956 4.815 -9.285 384 1HE LYS 54 1HE LYS 54 11.151 3.031 -7.530 385 2HE LYS 54 2HE LYS 54 10.547 1.839 -8.694 386 1HZ LYS 54 1HZ LYS 54 12.918 1.834 -8.572 387 2HZ LYS 54 2HZ LYS 54 12.434 2.315 -10.071 388 3HZ LYS 54 3HZ LYS 54 13.001 3.426 -8.993 389 H ILE 55 H ILE 55 6.694 5.006 -6.646 390 HA ILE 55 HA ILE 55 5.589 2.254 -6.790 391 HB ILE 55 HB ILE 55 6.030 2.158 -4.447 392 1HG1 ILE 55 1HG1 ILE 55 7.553 4.780 -4.888 393 2HG1 ILE 55 2HG1 ILE 55 6.063 4.595 -3.929 394 1HG2 ILE 55 1HG2 ILE 55 8.376 1.721 -4.729 395 2HG2 ILE 55 2HG2 ILE 55 7.560 1.291 -6.228 396 3HG2 ILE 55 3HG2 ILE 55 8.474 2.814 -6.120 397 1HD1 ILE 55 1HD1 ILE 55 7.326 2.768 -2.677 398 2HD1 ILE 55 2HD1 ILE 55 8.794 3.433 -3.438 399 3HD1 ILE 55 3HD1 ILE 55 7.830 4.460 -2.359 400 H SER 56 H SER 56 4.644 5.506 -5.804 401 HA SER 56 HA SER 56 2.268 4.642 -4.340 402 1HB SER 56 1HB SER 56 3.248 7.384 -5.182 403 2HB SER 56 2HB SER 56 1.966 7.068 -4.031 404 HG SER 56 HG SER 56 4.735 6.543 -3.853 405 H MET 57 H MET 57 0.147 4.849 -4.949 406 HA MET 57 HA MET 57 -0.513 5.403 -7.748 407 1HB MET 57 1HB MET 57 -2.198 5.157 -5.203 408 2HB MET 57 2HB MET 57 -2.860 5.373 -6.831 409 1HG MET 57 1HG MET 57 -1.887 3.242 -7.546 410 2HG MET 57 2HG MET 57 -1.117 3.037 -5.967 411 1HE MET 57 1HE MET 57 -4.849 4.363 -6.519 412 2HE MET 57 2HE MET 57 -5.697 2.810 -6.575 413 3HE MET 57 3HE MET 57 -4.554 3.234 -7.867 414 HA PRO 58 HA PRO 58 -0.589 9.848 -6.941 415 1HB PRO 58 1HB PRO 58 -2.564 10.727 -8.687 416 2HB PRO 58 2HB PRO 58 -0.875 10.368 -9.127 417 1HG PRO 58 1HG PRO 58 -3.299 8.611 -9.424 418 2HG PRO 58 2HG PRO 58 -1.987 8.858 -10.605 419 1HD PRO 58 1HD PRO 58 -2.131 6.664 -8.970 420 2HD PRO 58 2HD PRO 58 -0.553 7.387 -9.407 421 H GLU 59 H GLU 59 -1.467 10.600 -5.157 422 HA GLU 59 HA GLU 59 -3.192 9.528 -3.472 423 1HB GLU 59 1HB GLU 59 -2.954 12.550 -3.830 424 2HB GLU 59 2HB GLU 59 -3.435 11.680 -2.377 425 1HG GLU 59 1HG GLU 59 -1.255 11.993 -1.824 426 2HG GLU 59 2HG GLU 59 -1.053 10.475 -2.698 427 H GLU 60 H GLU 60 -4.381 11.523 -6.108 428 HA GLU 60 HA GLU 60 -7.086 11.699 -5.025 429 1HB GLU 60 1HB GLU 60 -5.560 12.786 -7.356 430 2HB GLU 60 2HB GLU 60 -7.231 12.361 -7.723 431 1HG GLU 60 1HG GLU 60 -7.087 14.690 -6.981 432 2HG GLU 60 2HG GLU 60 -8.085 13.718 -5.890 433 H GLU 61 H GLU 61 -5.407 9.451 -7.184 434 HA GLU 61 HA GLU 61 -7.913 8.292 -8.146 435 1HB GLU 61 1HB GLU 61 -4.997 7.450 -8.433 436 2HB GLU 61 2HB GLU 61 -6.362 6.685 -9.236 437 1HG GLU 61 1HG GLU 61 -5.501 9.586 -9.622 438 2HG GLU 61 2HG GLU 61 -5.273 8.253 -10.771 439 H LEU 62 H LEU 62 -8.652 6.199 -7.675 440 HA LEU 62 HA LEU 62 -7.438 4.665 -5.561 441 1HB LEU 62 1HB LEU 62 -9.527 4.970 -4.052 442 2HB LEU 62 2HB LEU 62 -8.131 6.029 -3.973 443 HG LEU 62 HG LEU 62 -9.328 7.736 -5.390 444 1HD1 LEU 62 1HD1 LEU 62 -10.982 6.428 -6.565 445 2HD1 LEU 62 2HD1 LEU 62 -11.688 5.835 -5.054 446 3HD1 LEU 62 3HD1 LEU 62 -11.817 7.550 -5.490 447 1HD2 LEU 62 1HD2 LEU 62 -10.681 8.496 -3.521 448 2HD2 LEU 62 2HD2 LEU 62 -10.525 6.887 -2.766 449 3HD2 LEU 62 3HD2 LEU 62 -9.082 7.878 -3.046 450 H LEU 63 H LEU 63 -8.393 2.734 -5.102 451 HA LEU 63 HA LEU 63 -10.009 1.497 -7.197 452 1HB LEU 63 1HB LEU 63 -9.031 0.389 -4.528 453 2HB LEU 63 2HB LEU 63 -9.649 -0.526 -5.903 454 HG LEU 63 HG LEU 63 -7.017 1.011 -5.758 455 1HD1 LEU 63 1HD1 LEU 63 -7.104 -1.083 -4.460 456 2HD1 LEU 63 2HD1 LEU 63 -7.706 -1.949 -5.887 457 3HD1 LEU 63 3HD1 LEU 63 -6.065 -1.283 -5.881 458 1HD2 LEU 63 1HD2 LEU 63 -6.531 -0.076 -7.962 459 2HD2 LEU 63 2HD2 LEU 63 -8.213 -0.636 -8.037 460 3HD2 LEU 63 3HD2 LEU 63 -7.847 1.105 -8.078 461 H ASN 64 H ASN 64 -12.208 1.353 -7.003 462 HA ASN 64 HA ASN 64 -13.481 1.770 -4.314 463 1HB ASN 64 1HB ASN 64 -13.883 3.662 -5.834 464 2HB ASN 64 2HB ASN 64 -14.603 2.562 -7.024 465 1HD2 ASN 64 1HD2 ASN 64 -17.707 2.397 -5.290 466 2HD2 ASN 64 2HD2 ASN 64 -16.796 1.938 -6.715 467 H ALA 65 H ALA 65 -13.860 0.101 -7.521 468 HA ALA 65 HA ALA 65 -16.029 -1.473 -6.577 469 1HB ALA 65 1HB ALA 65 -15.576 -2.876 -8.582 470 2HB ALA 65 2HB ALA 65 -15.599 -1.141 -8.967 471 3HB ALA 65 3HB ALA 65 -14.050 -2.006 -8.833 472 HA PRO 66 HA PRO 66 -13.704 -4.221 -3.944 473 1HB PRO 66 1HB PRO 66 -15.349 -6.423 -3.834 474 2HB PRO 66 2HB PRO 66 -15.659 -4.890 -2.980 475 1HG PRO 66 1HG PRO 66 -16.773 -5.777 -5.651 476 2HG PRO 66 2HG PRO 66 -17.674 -5.090 -4.267 477 1HD PRO 66 1HD PRO 66 -16.919 -3.557 -6.359 478 2HD PRO 66 2HD PRO 66 -16.797 -2.904 -4.696 479 H GLY 67 H GLY 67 -12.146 -5.892 -4.226 480 1HA GLY 67 1HA GLY 67 -11.316 -7.845 -5.189 481 2HA GLY 67 2HA GLY 67 -12.366 -7.681 -6.592 482 H GLU 68 H GLU 68 -11.535 -4.751 -6.951 483 HA GLU 68 HA GLU 68 -9.516 -5.156 -8.843 484 1HB GLU 68 1HB GLU 68 -10.142 -2.626 -7.256 485 2HB GLU 68 2HB GLU 68 -9.190 -2.692 -8.749 486 1HG GLU 68 1HG GLU 68 -12.132 -3.492 -8.503 487 2HG GLU 68 2HG GLU 68 -11.514 -1.987 -9.187 488 H THR 69 H THR 69 -7.298 -5.194 -8.854 489 HA THR 69 HA THR 69 -5.898 -5.198 -6.227 490 HB THR 69 HB THR 69 -4.283 -6.632 -7.593 491 HG1 THR 69 HG1 THR 69 -5.199 -5.948 -9.604 492 1HG2 THR 69 1HG2 THR 69 -5.616 -8.664 -7.331 493 2HG2 THR 69 2HG2 THR 69 -5.832 -7.564 -5.951 494 3HG2 THR 69 3HG2 THR 69 -7.101 -7.699 -7.194 495 OH TYR 70 OH TYR 70 1.610 1.706 -7.409 496 H TYR 70 H TYR 70 -4.481 -3.596 -5.905 497 HA TYR 70 HA TYR 70 -3.211 -2.236 -8.253 498 1HB TYR 70 1HB TYR 70 -3.981 -0.683 -6.566 499 2HB TYR 70 2HB TYR 70 -3.171 -1.563 -5.290 500 HD1 TYR 70 HD2 TYR 70 -2.389 -0.023 -8.647 501 HD2 TYR 70 HD1 TYR 70 -1.074 -0.664 -4.588 502 HE1 TYR 70 HE2 TYR 70 -0.285 1.191 -9.130 503 HE2 TYR 70 HE1 TYR 70 0.998 0.609 -5.064 504 HH TYR 70 HH TYR 70 2.179 1.867 -6.647 505 H VAL 71 H VAL 71 -1.533 -3.438 -9.011 506 HA VAL 71 HA VAL 71 0.042 -5.079 -7.131 507 HB VAL 71 HB VAL 71 0.139 -5.024 -10.164 508 1HG1 VAL 71 1HG1 VAL 71 2.172 -5.954 -9.144 509 2HG1 VAL 71 2HG1 VAL 71 1.199 -6.948 -8.041 510 3HG1 VAL 71 3HG1 VAL 71 1.197 -7.280 -9.788 511 1HG2 VAL 71 1HG2 VAL 71 -1.411 -6.837 -8.263 512 2HG2 VAL 71 2HG2 VAL 71 -2.110 -5.735 -9.469 513 3HG2 VAL 71 3HG2 VAL 71 -1.183 -7.143 -9.996 514 H VAL 72 H VAL 72 2.181 -4.664 -6.677 515 HA VAL 72 HA VAL 72 3.741 -2.728 -8.251 516 HB VAL 72 HB VAL 72 2.476 -1.350 -6.618 517 1HG1 VAL 72 1HG1 VAL 72 3.012 -1.440 -4.237 518 2HG1 VAL 72 2HG1 VAL 72 2.258 -2.957 -4.774 519 3HG1 VAL 72 3HG1 VAL 72 4.013 -2.883 -4.480 520 1HG2 VAL 72 1HG2 VAL 72 4.746 -0.669 -7.418 521 2HG2 VAL 72 2HG2 VAL 72 4.279 -0.014 -5.842 522 3HG2 VAL 72 3HG2 VAL 72 5.431 -1.348 -5.919 523 H THR 73 H THR 73 6.035 -2.738 -7.367 524 HA THR 73 HA THR 73 6.790 -5.196 -5.939 525 HB THR 73 HB THR 73 7.725 -4.614 -8.793 526 HG1 THR 73 HG1 THR 73 5.619 -6.060 -7.772 527 1HG2 THR 73 1HG2 THR 73 8.738 -6.875 -8.640 528 2HG2 THR 73 2HG2 THR 73 9.451 -5.771 -7.450 529 3HG2 THR 73 3HG2 THR 73 8.245 -6.974 -6.942 530 H LEU 74 H LEU 74 8.664 -4.878 -4.797 531 HA LEU 74 HA LEU 74 10.033 -2.229 -5.139 532 1HB LEU 74 1HB LEU 74 9.593 -3.793 -2.592 533 2HB LEU 74 2HB LEU 74 10.353 -2.200 -2.783 534 HG LEU 74 HG LEU 74 7.413 -2.846 -3.336 535 1HD1 LEU 74 1HD1 LEU 74 6.983 -1.526 -1.313 536 2HD1 LEU 74 2HD1 LEU 74 8.001 -2.931 -0.944 537 3HD1 LEU 74 3HD1 LEU 74 8.728 -1.314 -1.061 538 1HD2 LEU 74 1HD2 LEU 74 8.935 -0.202 -3.358 539 2HD2 LEU 74 2HD2 LEU 74 8.145 -0.968 -4.751 540 3HD2 LEU 74 3HD2 LEU 74 7.167 -0.354 -3.417 541 H ASP 75 H ASP 75 11.968 -2.563 -6.021 542 HA ASP 75 HA ASP 75 13.442 -5.087 -5.639 543 1HB ASP 75 1HB ASP 75 13.318 -4.111 -7.870 544 2HB ASP 75 2HB ASP 75 14.024 -2.592 -7.280 545 H THR 76 H THR 76 13.815 -1.582 -4.844 546 HA THR 76 HA THR 76 16.419 -1.848 -3.718 547 HB THR 76 HB THR 76 15.091 0.464 -2.673 548 HG1 THR 76 HG1 THR 76 13.373 0.496 -3.960 549 1HG2 THR 76 1HG2 THR 76 17.345 0.391 -3.626 550 2HG2 THR 76 2HG2 THR 76 16.656 0.121 -5.251 551 3HG2 THR 76 3HG2 THR 76 16.348 1.648 -4.390 552 H LYS 77 H LYS 77 16.981 -2.507 -1.680 553 HA LYS 77 HA LYS 77 15.055 -3.534 0.174 554 1HB LYS 77 1HB LYS 77 18.024 -2.845 0.383 555 2HB LYS 77 2HB LYS 77 17.120 -3.598 1.704 556 1HG LYS 77 1HG LYS 77 16.593 -5.525 0.399 557 2HG LYS 77 2HG LYS 77 17.308 -4.822 -1.068 558 1HD LYS 77 1HD LYS 77 19.536 -4.847 -0.058 559 2HD LYS 77 2HD LYS 77 18.872 -5.358 1.503 560 1HE LYS 77 1HE LYS 77 19.915 -7.242 0.282 561 2HE LYS 77 2HE LYS 77 18.189 -7.517 0.574 562 1HZ LYS 77 1HZ LYS 77 17.732 -6.890 -1.647 563 2HZ LYS 77 2HZ LYS 77 19.317 -6.531 -1.953 564 3HZ LYS 77 3HZ LYS 77 18.862 -8.087 -1.650 565 H GLY 78 H GLY 78 14.762 -2.888 2.382 566 1HA GLY 78 1HA GLY 78 15.325 -1.086 4.046 567 2HA GLY 78 2HA GLY 78 14.821 0.090 2.832 568 H THR 79 H THR 79 13.543 0.461 5.014 569 HA THR 79 HA THR 79 11.047 -1.100 5.158 570 HB THR 79 HB THR 79 12.009 1.185 6.915 571 HG1 THR 79 HG1 THR 79 12.753 -0.527 8.253 572 1HG2 THR 79 1HG2 THR 79 9.590 0.597 7.101 573 2HG2 THR 79 2HG2 THR 79 10.030 -1.103 7.380 574 3HG2 THR 79 3HG2 THR 79 10.481 0.142 8.562 575 OH TYR 80 OH TYR 80 12.376 0.298 -2.430 576 H TYR 80 H TYR 80 9.497 -0.448 3.772 577 HA TYR 80 HA TYR 80 9.309 2.417 2.961 578 1HB TYR 80 1HB TYR 80 8.240 -0.165 1.797 579 2HB TYR 80 2HB TYR 80 7.708 1.417 1.267 580 HD1 TYR 80 HD2 TYR 80 10.907 -0.492 1.781 581 HD2 TYR 80 HD1 TYR 80 8.649 2.208 -0.697 582 HE1 TYR 80 HE2 TYR 80 12.614 -0.682 0.044 583 HE2 TYR 80 HE1 TYR 80 10.283 1.877 -2.521 584 HH TYR 80 HH TYR 80 12.946 -0.452 -2.223 585 H SER 81 H SER 81 7.938 3.542 4.271 586 HA SER 81 HA SER 81 5.633 2.168 5.519 587 1HB SER 81 1HB SER 81 6.415 5.083 5.607 588 2HB SER 81 2HB SER 81 5.242 4.262 6.646 589 HG SER 81 HG SER 81 8.019 3.642 6.466 590 H PHE 82 H PHE 82 3.482 2.398 4.818 591 HA PHE 82 HA PHE 82 2.955 4.290 2.615 592 1HB PHE 82 1HB PHE 82 1.721 2.558 1.369 593 2HB PHE 82 2HB PHE 82 3.417 2.250 1.473 594 HD1 PHE 82 HD1 PHE 82 0.100 1.302 2.885 595 HD2 PHE 82 HD2 PHE 82 4.247 0.131 2.498 596 HE1 PHE 82 HE1 PHE 82 -0.398 -0.874 3.931 597 HE2 PHE 82 HE2 PHE 82 3.701 -2.055 3.501 598 HZ PHE 82 HZ PHE 82 1.397 -2.546 4.266 599 OH TYR 83 OH TYR 83 1.131 10.549 1.316 600 H TYR 83 H TYR 83 0.702 4.499 2.126 601 HA TYR 83 HA TYR 83 -1.196 3.984 4.288 602 1HB TYR 83 1HB TYR 83 -1.630 6.341 4.759 603 2HB TYR 83 2HB TYR 83 0.042 5.935 5.137 604 HD1 TYR 83 HD1 TYR 83 1.916 6.786 3.747 605 HD2 TYR 83 HD2 TYR 83 -2.171 7.887 2.944 606 HE1 TYR 83 HE1 TYR 83 2.693 8.730 2.437 607 HE2 TYR 83 HE2 TYR 83 -1.382 9.872 1.676 608 HH TYR 83 HH TYR 83 2.087 10.620 1.266 609 H CYS 84 H CYS 84 -3.320 4.846 3.866 610 HA CYS 84 HA CYS 84 -4.002 4.923 0.936 611 1HB CYS 84 1HB CYS 84 -5.086 3.090 2.144 612 2HB CYS 84 2HB CYS 84 -5.500 4.189 3.470 613 H SER 85 H SER 85 -4.086 7.046 0.289 614 HA SER 85 HA SER 85 -3.999 9.142 2.008 615 1HB SER 85 1HB SER 85 -4.715 10.663 0.173 616 2HB SER 85 2HB SER 85 -3.354 9.585 -0.167 617 HG SER 85 HG SER 85 -5.154 9.778 -1.801 618 HA PRO 86 HA PRO 86 -8.636 10.258 2.015 619 1HB PRO 86 1HB PRO 86 -10.528 8.316 1.513 620 2HB PRO 86 2HB PRO 86 -9.846 9.401 0.271 621 1HG PRO 86 1HG PRO 86 -8.912 6.606 0.972 622 2HG PRO 86 2HG PRO 86 -9.340 7.232 -0.646 623 1HD PRO 86 1HD PRO 86 -6.771 7.208 0.058 624 2HD PRO 86 2HD PRO 86 -7.453 8.685 -0.674 625 H HIS 87 H HIS 87 -7.076 7.502 3.407 626 HA HIS 87 HA HIS 87 -8.767 7.808 5.852 627 1HB HIS 87 1HB HIS 87 -7.730 5.237 4.653 628 2HB HIS 87 2HB HIS 87 -8.595 5.381 6.185 629 HD2 HIS 87 HD2 HIS 87 -11.118 7.006 5.567 630 HE1 HIS 87 HE1 HIS 87 -11.913 4.312 2.382 631 HE2 HIS 87 HE2 HIS 87 -12.921 6.047 3.937 632 H GLN 88 H GLN 88 -5.960 8.757 4.744 633 HA GLN 88 HA GLN 88 -4.013 7.475 6.361 634 1HB GLN 88 1HB GLN 88 -3.569 9.019 4.457 635 2HB GLN 88 2HB GLN 88 -4.093 10.386 5.447 636 1HG GLN 88 1HG GLN 88 -2.260 9.907 7.064 637 2HG GLN 88 2HG GLN 88 -1.793 8.488 6.107 638 1HE2 GLN 88 1HE2 GLN 88 0.612 10.826 4.827 639 2HE2 GLN 88 2HE2 GLN 88 0.376 9.599 6.057 640 H GLY 89 H GLY 89 -6.027 10.373 6.931 641 1HA GLY 89 1HA GLY 89 -5.210 11.020 9.551 642 2HA GLY 89 2HA GLY 89 -6.805 11.361 8.853 643 H ALA 90 H ALA 90 -7.450 8.510 8.382 644 HA ALA 90 HA ALA 90 -8.460 7.871 11.052 645 1HB ALA 90 1HB ALA 90 -8.793 6.398 8.412 646 2HB ALA 90 2HB ALA 90 -9.719 6.141 9.903 647 3HB ALA 90 3HB ALA 90 -9.873 7.674 9.023 648 H GLY 91 H GLY 91 -5.441 7.389 9.752 649 1HA GLY 91 1HA GLY 91 -3.748 6.133 10.596 650 2HA GLY 91 2HA GLY 91 -4.877 5.205 11.589 651 H MET 92 H MET 92 -5.630 5.409 8.119 652 HA MET 92 HA MET 92 -5.107 2.537 7.941 653 1HB MET 92 1HB MET 92 -7.085 3.543 6.884 654 2HB MET 92 2HB MET 92 -6.024 4.412 5.750 655 1HG MET 92 1HG MET 92 -5.208 2.338 4.819 656 2HG MET 92 2HG MET 92 -5.860 1.412 6.165 657 1HE MET 92 1HE MET 92 -6.016 0.407 3.228 658 2HE MET 92 2HE MET 92 -6.466 -0.386 4.747 659 3HE MET 92 3HE MET 92 -7.622 -0.349 3.404 660 H VAL 93 H VAL 93 -2.899 2.646 8.446 661 HA VAL 93 HA VAL 93 -1.096 3.268 6.171 662 HB VAL 93 HB VAL 93 0.586 4.065 7.652 663 1HG1 VAL 93 1HG1 VAL 93 -1.984 5.414 8.586 664 2HG1 VAL 93 2HG1 VAL 93 -0.363 6.112 8.461 665 3HG1 VAL 93 3HG1 VAL 93 -1.260 5.685 6.995 666 1HG2 VAL 93 1HG2 VAL 93 0.204 4.307 10.088 667 2HG2 VAL 93 2HG2 VAL 93 -1.328 3.422 9.930 668 3HG2 VAL 93 3HG2 VAL 93 0.216 2.609 9.587 669 H GLY 94 H GLY 94 1.065 2.093 6.411 670 1HA GLY 94 1HA GLY 94 1.139 -0.354 7.930 671 2HA GLY 94 2HA GLY 94 0.763 -0.642 6.219 672 H LYS 95 H LYS 95 3.113 -1.709 6.967 673 HA LYS 95 HA LYS 95 5.138 0.035 5.718 674 1HB LYS 95 1HB LYS 95 5.675 -1.247 8.430 675 2HB LYS 95 2HB LYS 95 6.790 -0.295 7.446 676 1HG LYS 95 1HG LYS 95 5.184 1.668 7.706 677 2HG LYS 95 2HG LYS 95 4.315 0.696 8.914 678 1HD LYS 95 1HD LYS 95 6.508 0.451 10.165 679 2HD LYS 95 2HD LYS 95 7.242 1.564 8.994 680 1HE LYS 95 1HE LYS 95 4.944 2.192 10.905 681 2HE LYS 95 2HE LYS 95 6.613 2.773 11.016 682 1HZ LYS 95 1HZ LYS 95 4.673 3.417 8.914 683 2HZ LYS 95 2HZ LYS 95 5.282 4.439 10.053 684 3HZ LYS 95 3HZ LYS 95 6.262 3.846 8.860 685 H VAL 96 H VAL 96 6.316 -1.099 4.281 686 HA VAL 96 HA VAL 96 6.398 -4.067 4.655 687 HB VAL 96 HB VAL 96 5.085 -3.626 2.821 688 1HG1 VAL 96 1HG1 VAL 96 5.985 -1.300 2.183 689 2HG1 VAL 96 2HG1 VAL 96 7.350 -2.145 1.426 690 3HG1 VAL 96 3HG1 VAL 96 5.705 -2.405 0.829 691 1HG2 VAL 96 1HG2 VAL 96 6.197 -4.885 1.148 692 2HG2 VAL 96 2HG2 VAL 96 7.799 -4.460 1.783 693 3HG2 VAL 96 3HG2 VAL 96 6.698 -5.473 2.748 694 H THR 97 H THR 97 8.239 -4.904 5.042 695 HA THR 97 HA THR 97 10.723 -3.295 4.855 696 HB THR 97 HB THR 97 10.544 -6.030 6.101 697 HG1 THR 97 HG1 THR 97 8.823 -4.861 6.978 698 1HG2 THR 97 1HG2 THR 97 12.261 -5.119 7.572 699 2HG2 THR 97 2HG2 THR 97 12.757 -4.957 5.878 700 3HG2 THR 97 3HG2 THR 97 12.152 -3.539 6.770 701 H VAL 98 H VAL 98 11.573 -3.379 2.791 702 HA VAL 98 HA VAL 98 11.449 -5.833 1.214 703 HB VAL 98 HB VAL 98 12.832 -3.184 0.646 704 1HG1 VAL 98 1HG1 VAL 98 12.627 -4.004 -1.715 705 2HG1 VAL 98 2HG1 VAL 98 13.593 -5.127 -0.741 706 3HG1 VAL 98 3HG1 VAL 98 11.898 -5.502 -1.121 707 1HG2 VAL 98 1HG2 VAL 98 10.836 -2.676 -0.681 708 2HG2 VAL 98 2HG2 VAL 98 10.044 -4.160 -0.108 709 3HG2 VAL 98 3HG2 VAL 98 10.399 -2.831 1.014 710 H ASN 99 H ASN 99 12.638 -7.345 2.201 711 HA ASN 99 HA ASN 99 15.243 -6.713 3.471 712 1HB ASN 99 1HB ASN 99 13.356 -7.899 4.636 713 2HB ASN 99 2HB ASN 99 13.611 -9.277 3.551 714 1HD2 ASN 99 1HD2 ASN 99 15.616 -9.426 6.857 715 2HD2 ASN 99 2HD2 ASN 99 13.967 -8.924 6.563 No H/Q in entry = 715
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