NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19155 | 2edy | 10266 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 4.123 -20.687 -12.482 2 HA2 GLY 1 1HA GLY 1 2.664 -22.456 -12.290 3 HA3 GLY 1 2HA GLY 1 3.945 -23.171 -11.322 4 H SER 2 H SER 2 1.261 -23.726 -10.867 5 HA SER 2 HA SER 2 0.067 -22.113 -8.890 6 HB2 SER 2 1HB SER 2 -0.286 -24.979 -9.727 7 HB3 SER 2 2HB SER 2 -1.155 -24.337 -8.334 8 HG SER 2 HG SER 2 -1.611 -22.555 -10.062 9 H SER 3 H SER 3 1.891 -25.159 -8.575 10 HA SER 3 HA SER 3 1.903 -25.252 -5.780 11 HB2 SER 3 1HB SER 3 3.607 -26.466 -7.922 12 HB3 SER 3 2HB SER 3 4.121 -26.601 -6.240 13 HG SER 3 HG SER 3 2.857 -28.343 -6.546 14 H GLY 4 H GLY 4 4.534 -24.184 -7.949 15 HA2 GLY 4 1HA GLY 4 6.348 -23.299 -6.100 16 HA3 GLY 4 2HA GLY 4 6.117 -22.536 -7.666 17 H SER 5 H SER 5 3.753 -21.309 -7.521 18 HA SER 5 HA SER 5 3.376 -19.887 -5.062 19 HB2 SER 5 1HB SER 5 4.123 -17.726 -5.716 20 HB3 SER 5 2HB SER 5 5.445 -18.825 -6.107 21 HG SER 5 HG SER 5 3.715 -17.437 -7.800 22 H SER 6 H SER 6 1.299 -19.357 -4.941 23 HA SER 6 HA SER 6 -0.245 -19.205 -7.441 24 HB2 SER 6 1HB SER 6 -1.005 -20.034 -4.644 25 HB3 SER 6 2HB SER 6 -2.221 -19.625 -5.854 26 HG SER 6 HG SER 6 -0.796 -21.243 -7.147 27 H GLY 7 H GLY 7 -0.349 -17.857 -4.133 28 HA2 GLY 7 1HA GLY 7 -0.876 -15.756 -3.376 29 HA3 GLY 7 2HA GLY 7 -0.293 -15.169 -4.926 30 HA PRO 8 HA PRO 8 -5.020 -14.784 -4.410 31 HB2 PRO 8 1HB PRO 8 -5.159 -12.135 -3.835 32 HB3 PRO 8 2HB PRO 8 -5.047 -13.383 -2.589 33 HG2 PRO 8 1HG PRO 8 -2.892 -11.646 -3.730 34 HG3 PRO 8 2HG PRO 8 -3.191 -12.094 -2.040 35 HD2 PRO 8 1HD PRO 8 -1.297 -13.299 -3.555 36 HD3 PRO 8 2HD PRO 8 -2.186 -14.155 -2.278 37 H SER 9 H SER 9 -6.420 -13.505 -5.814 38 HA SER 9 HA SER 9 -4.968 -12.409 -8.134 39 HB2 SER 9 1HB SER 9 -6.159 -14.602 -8.518 40 HB3 SER 9 2HB SER 9 -7.676 -13.754 -8.215 41 HG SER 9 HG SER 9 -6.850 -13.968 -10.490 42 H GLY 10 H GLY 10 -6.577 -11.406 -5.567 43 HA2 GLY 10 1HA GLY 10 -7.875 -9.205 -7.046 44 HA3 GLY 10 2HA GLY 10 -8.660 -9.960 -5.666 45 H PHE 11 H PHE 11 -8.009 -7.188 -5.935 46 HA PHE 11 HA PHE 11 -5.949 -6.899 -3.849 47 HB2 PHE 11 1HB PHE 11 -5.907 -4.463 -4.699 48 HB3 PHE 11 2HB PHE 11 -5.152 -5.699 -5.700 49 HD1 PHE 11 2HD PHE 11 -6.441 -6.612 -7.665 50 HD2 PHE 11 1HD PHE 11 -7.650 -3.139 -5.521 51 HE1 PHE 11 2HE PHE 11 -7.849 -5.934 -9.564 52 HE2 PHE 11 1HE PHE 11 -9.060 -2.455 -7.417 53 HZ PHE 11 HZ PHE 11 -9.161 -3.853 -9.443 54 HA PRO 12 HA PRO 12 -8.919 -5.294 -1.046 55 HB2 PRO 12 1HB PRO 12 -7.446 -3.456 0.303 56 HB3 PRO 12 2HB PRO 12 -7.229 -5.198 0.508 57 HG2 PRO 12 1HG PRO 12 -5.641 -3.273 -1.145 58 HG3 PRO 12 2HG PRO 12 -5.070 -4.590 -0.104 59 HD2 PRO 12 1HD PRO 12 -5.242 -4.831 -2.796 60 HD3 PRO 12 2HD PRO 12 -5.495 -6.202 -1.696 61 H GLN 13 H GLN 13 -9.903 -3.217 -0.242 62 HA GLN 13 HA GLN 13 -9.764 -1.088 -2.267 63 HB2 GLN 13 1HB GLN 13 -12.373 -1.803 -0.980 64 HB3 GLN 13 2HB GLN 13 -12.076 -0.960 -2.495 65 HG2 GLN 13 1HG GLN 13 -11.293 -3.825 -2.194 66 HG3 GLN 13 2HG GLN 13 -12.968 -3.388 -2.527 67 HE21 GLN 13 1HE2 GLN 13 -12.054 -4.855 -4.397 68 HE22 GLN 13 2HE2 GLN 13 -11.543 -3.976 -5.793 69 H ASN 14 H ASN 14 -11.274 0.823 -1.346 70 HA ASN 14 HA ASN 14 -11.460 2.506 0.172 71 HB2 ASN 14 1HB ASN 14 -11.409 0.074 1.889 72 HB3 ASN 14 2HB ASN 14 -11.177 1.630 2.679 73 HD21 ASN 14 1HD2 ASN 14 -13.226 0.455 0.029 74 HD22 ASN 14 2HD2 ASN 14 -14.709 1.049 0.687 75 H LEU 15 H LEU 15 -8.857 1.718 -0.947 76 HA LEU 15 HA LEU 15 -6.887 2.135 1.096 77 HB2 LEU 15 1HB LEU 15 -6.530 0.828 -1.011 78 HB3 LEU 15 2HB LEU 15 -6.545 2.356 -1.889 79 HG LEU 15 HG LEU 15 -4.571 3.057 -0.496 80 HD11 LEU 15 1HD1 LEU 15 -3.298 0.966 0.374 81 HD12 LEU 15 2HD1 LEU 15 -4.906 0.249 0.466 82 HD13 LEU 15 3HD1 LEU 15 -4.541 1.714 1.378 83 HD21 LEU 15 3HD2 LEU 15 -3.911 0.563 -2.009 84 HD22 LEU 15 1HD2 LEU 15 -3.060 2.107 -1.966 85 HD23 LEU 15 2HD2 LEU 15 -4.579 1.963 -2.850 86 H HIS 16 H HIS 16 -6.514 4.033 2.014 87 HA HIS 16 HA HIS 16 -5.976 6.374 0.488 88 HB2 HIS 16 1HB HIS 16 -7.809 7.753 1.594 89 HB3 HIS 16 2HB HIS 16 -8.320 6.669 0.304 90 HD1 HIS 16 1HD HIS 16 -10.242 5.207 0.848 91 HD2 HIS 16 2HD HIS 16 -8.293 6.543 4.265 92 HE1 HIS 16 1HE HIS 16 -11.615 4.362 2.778 93 HE2 HIS 16 2HE HIS 16 -10.463 5.255 4.833 94 H VAL 17 H VAL 17 -5.894 8.353 2.128 95 HA VAL 17 HA VAL 17 -4.400 7.365 4.457 96 HB VAL 17 HB VAL 17 -4.297 10.095 3.166 97 HG11 VAL 17 1HG1 VAL 17 -3.227 9.004 5.653 98 HG12 VAL 17 2HG1 VAL 17 -2.003 9.760 4.631 99 HG13 VAL 17 3HG1 VAL 17 -3.420 10.680 5.139 100 HG21 VAL 17 3HG2 VAL 17 -2.324 7.817 3.014 101 HG22 VAL 17 1HG2 VAL 17 -3.401 8.329 1.715 102 HG23 VAL 17 2HG2 VAL 17 -2.133 9.413 2.287 103 H THR 18 H THR 18 -5.137 7.702 6.451 104 HA THR 18 HA THR 18 -7.600 9.205 6.806 105 HB THR 18 HB THR 18 -7.358 6.972 7.848 106 HG1 THR 18 1HG THR 18 -7.606 9.152 9.672 107 HG21 THR 18 3HG2 THR 18 -5.047 6.903 8.422 108 HG22 THR 18 1HG2 THR 18 -5.948 6.856 9.937 109 HG23 THR 18 2HG2 THR 18 -5.183 8.356 9.412 110 H GLY 19 H GLY 19 -4.250 9.690 7.187 111 HA2 GLY 19 1HA GLY 19 -4.575 12.366 8.050 112 HA3 GLY 19 2HA GLY 19 -4.097 11.362 9.411 113 H LEU 20 H LEU 20 -3.157 12.349 6.147 114 HA LEU 20 HA LEU 20 -0.557 11.245 6.228 115 HB2 LEU 20 1HB LEU 20 -0.240 12.207 4.189 116 HB3 LEU 20 2HB LEU 20 -2.001 12.210 4.258 117 HG LEU 20 HG LEU 20 -0.096 14.510 4.498 118 HD11 LEU 20 1HD1 LEU 20 -1.814 13.495 2.506 119 HD12 LEU 20 2HD1 LEU 20 -0.855 14.974 2.470 120 HD13 LEU 20 3HD1 LEU 20 -2.513 15.013 3.070 121 HD21 LEU 20 3HD2 LEU 20 -2.653 14.155 5.899 122 HD22 LEU 20 1HD2 LEU 20 -2.511 15.649 4.973 123 HD23 LEU 20 2HD2 LEU 20 -1.323 15.269 6.221 124 H THR 21 H THR 21 1.408 12.786 5.925 125 HA THR 21 HA THR 21 1.307 15.101 7.694 126 HB THR 21 HB THR 21 3.534 13.183 8.210 127 HG1 THR 21 1HG THR 21 0.870 12.925 9.167 128 HG21 THR 21 3HG2 THR 21 1.992 14.966 10.089 129 HG22 THR 21 1HG2 THR 21 3.395 15.509 9.171 130 HG23 THR 21 2HG2 THR 21 3.565 14.216 10.359 131 H THR 22 H THR 22 3.189 16.461 7.539 132 HA THR 22 HA THR 22 4.063 17.005 5.004 133 HB THR 22 HB THR 22 5.955 18.250 6.029 134 HG1 THR 22 1HG THR 22 5.721 18.202 8.495 135 HG21 THR 22 3HG2 THR 22 3.672 19.213 5.901 136 HG22 THR 22 1HG2 THR 22 4.602 19.826 7.268 137 HG23 THR 22 2HG2 THR 22 3.356 18.605 7.526 138 H SER 23 H SER 23 5.671 14.968 7.422 139 HA SER 23 HA SER 23 7.618 14.142 5.385 140 HB2 SER 23 1HB SER 23 7.632 13.839 8.395 141 HB3 SER 23 2HB SER 23 8.859 13.153 7.329 142 HG SER 23 HG SER 23 8.545 15.718 8.201 143 H THR 24 H THR 24 5.436 12.794 7.844 144 HA THR 24 HA THR 24 5.685 10.146 6.633 145 HB THR 24 HB THR 24 4.642 9.254 8.555 146 HG1 THR 24 1HG THR 24 2.927 10.749 8.748 147 HG21 THR 24 3HG2 THR 24 6.438 11.558 9.294 148 HG22 THR 24 1HG2 THR 24 6.874 9.861 9.094 149 HG23 THR 24 2HG2 THR 24 5.882 10.362 10.464 150 H THR 25 H THR 25 3.538 8.874 6.581 151 HA THR 25 HA THR 25 1.225 10.468 5.847 152 HB THR 25 HB THR 25 2.800 8.874 3.853 153 HG1 THR 25 1HG THR 25 1.315 11.197 3.309 154 HG21 THR 25 3HG2 THR 25 -0.155 9.477 3.681 155 HG22 THR 25 1HG2 THR 25 0.568 7.877 3.838 156 HG23 THR 25 2HG2 THR 25 0.838 8.827 2.377 157 H GLU 26 H GLU 26 -0.347 9.526 6.965 158 HA GLU 26 HA GLU 26 -0.242 6.788 7.776 159 HB2 GLU 26 1HB GLU 26 -2.389 8.898 7.995 160 HB3 GLU 26 2HB GLU 26 -2.573 7.271 8.635 161 HG2 GLU 26 1HG GLU 26 -0.570 7.648 10.040 162 HG3 GLU 26 2HG GLU 26 -0.524 9.312 9.462 163 H LEU 27 H LEU 27 -2.056 5.262 7.381 164 HA LEU 27 HA LEU 27 -3.444 5.602 4.845 165 HB2 LEU 27 1HB LEU 27 -1.663 3.230 5.371 166 HB3 LEU 27 2HB LEU 27 -2.659 3.497 3.942 167 HG LEU 27 HG LEU 27 -0.327 5.238 4.732 168 HD11 LEU 27 1HD1 LEU 27 -0.502 2.784 3.042 169 HD12 LEU 27 2HD1 LEU 27 0.739 3.268 4.197 170 HD13 LEU 27 3HD1 LEU 27 0.642 4.059 2.624 171 HD21 LEU 27 3HD2 LEU 27 -0.796 6.514 2.950 172 HD22 LEU 27 1HD2 LEU 27 -2.413 5.822 3.080 173 HD23 LEU 27 2HD2 LEU 27 -1.246 5.130 1.953 174 H ALA 28 H ALA 28 -5.054 3.891 4.466 175 HA ALA 28 HA ALA 28 -5.734 2.057 6.539 176 HB1 ALA 28 3HB ALA 28 -8.076 3.466 6.667 177 HB2 ALA 28 1HB ALA 28 -6.799 3.491 7.884 178 HB3 ALA 28 2HB ALA 28 -6.864 4.748 6.648 179 H TRP 29 H TRP 29 -6.249 0.431 5.217 180 HA TRP 29 HA TRP 29 -8.279 0.937 3.142 181 HB2 TRP 29 1HB TRP 29 -7.195 -0.774 1.743 182 HB3 TRP 29 2HB TRP 29 -6.105 0.567 2.084 183 HD1 TRP 29 HD TRP 29 -6.543 -3.157 2.675 184 HE1 TRP 29 1HE TRP 29 -4.394 -4.098 3.735 185 HE3 TRP 29 3HE TRP 29 -4.123 1.240 3.644 186 HZ2 TRP 29 2HZ TRP 29 -1.991 -3.107 4.836 187 HZ3 TRP 29 3HZ TRP 29 -1.903 1.157 4.703 188 HH2 TRP 29 HH TRP 29 -0.861 -0.973 5.286 189 H ASP 30 H ASP 30 -9.015 -1.451 2.349 190 HA ASP 30 HA ASP 30 -9.676 -2.970 4.785 191 HB2 ASP 30 1HB ASP 30 -11.458 -1.879 2.666 192 HB3 ASP 30 2HB ASP 30 -11.849 -3.472 3.308 193 HA PRO 31 HA PRO 31 -8.433 -6.638 2.728 194 HB2 PRO 31 1HB PRO 31 -10.293 -8.440 3.542 195 HB3 PRO 31 2HB PRO 31 -9.044 -7.797 4.615 196 HG2 PRO 31 1HG PRO 31 -11.912 -6.983 4.345 197 HG3 PRO 31 2HG PRO 31 -10.949 -7.216 5.815 198 HD2 PRO 31 1HD PRO 31 -11.450 -4.767 4.775 199 HD3 PRO 31 2HD PRO 31 -9.946 -5.148 5.637 200 HA PRO 32 HA PRO 32 -10.574 -7.268 -1.062 201 HB2 PRO 32 1HB PRO 32 -9.991 -9.863 -1.607 202 HB3 PRO 32 2HB PRO 32 -8.798 -8.565 -1.727 203 HG2 PRO 32 1HG PRO 32 -9.238 -10.533 0.484 204 HG3 PRO 32 2HG PRO 32 -7.714 -9.974 -0.229 205 HD2 PRO 32 1HD PRO 32 -8.664 -9.012 2.117 206 HD3 PRO 32 2HD PRO 32 -7.713 -8.020 0.993 207 H VAL 33 H VAL 33 -12.562 -7.837 -1.789 208 HA VAL 33 HA VAL 33 -14.535 -8.742 -0.057 209 HB VAL 33 HB VAL 33 -15.858 -9.218 -2.192 210 HG11 VAL 33 1HG1 VAL 33 -15.394 -6.935 -0.831 211 HG12 VAL 33 2HG1 VAL 33 -14.853 -6.461 -2.442 212 HG13 VAL 33 3HG1 VAL 33 -16.496 -7.056 -2.201 213 HG21 VAL 33 3HG2 VAL 33 -14.820 -9.276 -4.157 214 HG22 VAL 33 1HG2 VAL 33 -14.129 -7.676 -3.881 215 HG23 VAL 33 2HG2 VAL 33 -13.282 -9.114 -3.311 216 H LEU 34 H LEU 34 -15.498 -10.692 0.343 217 HA LEU 34 HA LEU 34 -14.035 -13.008 0.358 218 HB2 LEU 34 1HB LEU 34 -16.196 -14.202 0.616 219 HB3 LEU 34 2HB LEU 34 -16.003 -12.816 1.687 220 HG LEU 34 HG LEU 34 -17.503 -12.511 -0.882 221 HD11 LEU 34 1HD1 LEU 34 -18.229 -14.304 1.232 222 HD12 LEU 34 2HD1 LEU 34 -19.074 -13.950 -0.275 223 HD13 LEU 34 3HD1 LEU 34 -19.374 -12.964 1.157 224 HD21 LEU 34 3HD2 LEU 34 -18.788 -11.050 0.960 225 HD22 LEU 34 1HD2 LEU 34 -17.409 -10.448 0.039 226 HD23 LEU 34 2HD2 LEU 34 -17.174 -11.067 1.674 227 H ALA 35 H ALA 35 -15.811 -11.626 -2.274 228 HA ALA 35 HA ALA 35 -16.070 -13.952 -3.871 229 HB1 ALA 35 3HB ALA 35 -16.492 -11.080 -4.195 230 HB2 ALA 35 1HB ALA 35 -15.974 -11.894 -5.671 231 HB3 ALA 35 2HB ALA 35 -17.419 -12.443 -4.822 232 H GLU 36 H GLU 36 -13.684 -11.308 -3.889 233 HA GLU 36 HA GLU 36 -12.006 -12.849 -5.720 234 HB2 GLU 36 1HB GLU 36 -11.531 -10.062 -4.659 235 HB3 GLU 36 2HB GLU 36 -10.726 -10.832 -6.019 236 HG2 GLU 36 1HG GLU 36 -12.481 -10.506 -7.429 237 HG3 GLU 36 2HG GLU 36 -13.675 -10.555 -6.134 238 H ARG 37 H ARG 37 -11.558 -14.455 -4.040 239 HA ARG 37 HA ARG 37 -9.141 -13.758 -2.598 240 HB2 ARG 37 1HB ARG 37 -11.690 -14.581 -1.238 241 HB3 ARG 37 2HB ARG 37 -10.128 -14.958 -0.523 242 HG2 ARG 37 1HG ARG 37 -9.564 -12.611 -0.425 243 HG3 ARG 37 2HG ARG 37 -11.070 -12.191 -1.243 244 HD2 ARG 37 1HD ARG 37 -11.690 -11.841 0.929 245 HD3 ARG 37 2HD ARG 37 -12.133 -13.538 0.755 246 HE ARG 37 HE ARG 37 -9.592 -13.661 1.664 247 HH11 ARG 37 1HH1 ARG 37 -12.438 -11.980 2.758 248 HH12 ARG 37 2HH1 ARG 37 -11.978 -12.020 4.428 249 HH21 ARG 37 1HH2 ARG 37 -8.976 -13.720 3.859 250 HH22 ARG 37 2HH2 ARG 37 -10.009 -13.009 5.053 251 H ASN 38 H ASN 38 -7.813 -15.245 -3.415 252 HA ASN 38 HA ASN 38 -8.776 -17.925 -4.003 253 HB2 ASN 38 1HB ASN 38 -6.291 -16.378 -4.639 254 HB3 ASN 38 2HB ASN 38 -6.260 -18.136 -4.737 255 HD21 ASN 38 1HD2 ASN 38 -8.223 -15.373 -5.772 256 HD22 ASN 38 2HD2 ASN 38 -8.606 -16.011 -7.331 257 H GLY 39 H GLY 39 -8.774 -17.286 -1.266 258 HA2 GLY 39 1HA GLY 39 -8.001 -19.378 0.101 259 HA3 GLY 39 2HA GLY 39 -6.423 -18.653 -0.169 260 H ARG 40 H ARG 40 -5.750 -17.730 1.645 261 HA ARG 40 HA ARG 40 -7.622 -15.977 3.085 262 HB2 ARG 40 1HB ARG 40 -6.498 -16.696 5.210 263 HB3 ARG 40 2HB ARG 40 -7.465 -17.944 4.435 264 HG2 ARG 40 1HG ARG 40 -4.568 -17.823 3.799 265 HG3 ARG 40 2HG ARG 40 -5.058 -18.439 5.379 266 HD2 ARG 40 1HD ARG 40 -6.441 -19.467 2.951 267 HD3 ARG 40 2HD ARG 40 -4.808 -20.036 3.295 268 HE ARG 40 HE ARG 40 -7.206 -20.739 4.688 269 HH11 ARG 40 1HH1 ARG 40 -3.761 -20.348 5.006 270 HH12 ARG 40 2HH1 ARG 40 -3.625 -21.460 6.328 271 HH21 ARG 40 1HH2 ARG 40 -7.040 -22.206 6.428 272 HH22 ARG 40 2HH2 ARG 40 -5.491 -22.517 7.135 273 H ILE 41 H ILE 41 -6.565 -14.310 4.380 274 HA ILE 41 HA ILE 41 -4.092 -13.405 3.084 275 HB ILE 41 HB ILE 41 -5.820 -11.707 4.861 276 HG12 ILE 41 1HG1 ILE 41 -7.394 -12.455 3.260 277 HG13 ILE 41 2HG1 ILE 41 -6.844 -10.892 2.667 278 HG21 ILE 41 1HG2 ILE 41 -3.447 -11.328 3.297 279 HG22 ILE 41 2HG2 ILE 41 -4.731 -10.271 2.712 280 HG23 ILE 41 3HG2 ILE 41 -4.243 -10.212 4.406 281 HD11 ILE 41 3HD1 ILE 41 -7.020 -12.494 0.862 282 HD12 ILE 41 1HD1 ILE 41 -5.340 -12.019 1.109 283 HD13 ILE 41 2HD1 ILE 41 -5.911 -13.582 1.696 284 H ILE 42 H ILE 42 -2.365 -12.559 4.317 285 HA ILE 42 HA ILE 42 -2.390 -13.257 7.174 286 HB ILE 42 HB ILE 42 0.053 -13.892 6.889 287 HG12 ILE 42 1HG1 ILE 42 -0.813 -14.018 3.992 288 HG13 ILE 42 2HG1 ILE 42 0.411 -12.949 4.669 289 HG21 ILE 42 1HG2 ILE 42 -2.333 -15.433 6.128 290 HG22 ILE 42 2HG2 ILE 42 -0.792 -16.133 5.637 291 HG23 ILE 42 3HG2 ILE 42 -1.096 -15.775 7.337 292 HD11 ILE 42 3HD1 ILE 42 1.749 -14.560 3.804 293 HD12 ILE 42 1HD1 ILE 42 1.484 -15.248 5.405 294 HD13 ILE 42 2HD1 ILE 42 0.552 -15.835 4.028 295 H SER 43 H SER 43 -1.072 -11.286 4.585 296 HA SER 43 HA SER 43 -0.730 -9.060 6.353 297 HB2 SER 43 1HB SER 43 1.741 -8.799 5.782 298 HB3 SER 43 2HB SER 43 1.343 -10.062 6.946 299 HG SER 43 HG SER 43 1.481 -10.690 4.214 300 H TYR 44 H TYR 44 0.452 -7.219 5.081 301 HA TYR 44 HA TYR 44 -0.204 -7.378 2.225 302 HB2 TYR 44 1HB TYR 44 -1.065 -5.162 4.095 303 HB3 TYR 44 2HB TYR 44 -1.224 -5.118 2.343 304 HD1 TYR 44 2HD TYR 44 -2.177 -7.261 5.252 305 HD2 TYR 44 1HD TYR 44 -3.231 -5.780 1.405 306 HE1 TYR 44 2HE TYR 44 -4.365 -8.370 5.430 307 HE2 TYR 44 1HE TYR 44 -5.422 -6.884 1.573 308 HH TYR 44 HH TYR 44 -6.126 -9.233 3.852 309 H THR 45 H THR 45 0.819 -5.704 0.930 310 HA THR 45 HA THR 45 3.277 -4.664 2.183 311 HB THR 45 HB THR 45 2.932 -5.644 -0.658 312 HG1 THR 45 1HG THR 45 3.273 -7.097 1.376 313 HG21 THR 45 3HG2 THR 45 4.472 -3.763 -0.562 314 HG22 THR 45 1HG2 THR 45 5.361 -5.259 -0.845 315 HG23 THR 45 2HG2 THR 45 5.355 -4.527 0.760 316 H VAL 46 H VAL 46 3.339 -2.524 2.257 317 HA VAL 46 HA VAL 46 1.669 -0.975 0.417 318 HB VAL 46 HB VAL 46 3.128 -0.076 2.906 319 HG11 VAL 46 1HG1 VAL 46 1.212 1.345 1.067 320 HG12 VAL 46 2HG1 VAL 46 1.632 1.924 2.681 321 HG13 VAL 46 3HG1 VAL 46 2.879 1.785 1.440 322 HG21 VAL 46 3HG2 VAL 46 0.810 -1.607 2.688 323 HG22 VAL 46 1HG2 VAL 46 1.379 -0.736 4.112 324 HG23 VAL 46 2HG2 VAL 46 0.244 0.033 3.003 325 H VAL 47 H VAL 47 2.765 -0.692 -1.453 326 HA VAL 47 HA VAL 47 5.588 0.030 -1.396 327 HB VAL 47 HB VAL 47 3.827 -0.275 -3.827 328 HG11 VAL 47 1HG1 VAL 47 6.597 -1.011 -4.118 329 HG12 VAL 47 2HG1 VAL 47 5.652 0.179 -5.015 330 HG13 VAL 47 3HG1 VAL 47 6.448 0.637 -3.509 331 HG21 VAL 47 3HG2 VAL 47 3.662 -2.434 -3.265 332 HG22 VAL 47 1HG2 VAL 47 5.371 -2.542 -3.687 333 HG23 VAL 47 2HG2 VAL 47 4.892 -2.292 -2.008 334 H PHE 48 H PHE 48 6.052 2.100 -1.047 335 HA PHE 48 HA PHE 48 4.354 4.149 -2.312 336 HB2 PHE 48 1HB PHE 48 5.193 5.684 -0.527 337 HB3 PHE 48 2HB PHE 48 4.236 4.341 0.088 338 HD1 PHE 48 2HD PHE 48 5.530 2.288 0.943 339 HD2 PHE 48 1HD PHE 48 7.294 6.115 0.342 340 HE1 PHE 48 2HE PHE 48 7.366 1.677 2.463 341 HE2 PHE 48 1HE PHE 48 9.133 5.509 1.860 342 HZ PHE 48 HZ PHE 48 9.170 3.288 2.924 343 H ARG 49 H ARG 49 5.267 5.581 -3.671 344 HA ARG 49 HA ARG 49 8.137 5.994 -3.691 345 HB2 ARG 49 1HB ARG 49 8.078 4.096 -5.121 346 HB3 ARG 49 2HB ARG 49 6.656 4.690 -5.969 347 HG2 ARG 49 1HG ARG 49 8.190 6.660 -6.654 348 HG3 ARG 49 2HG ARG 49 9.501 5.565 -6.208 349 HD2 ARG 49 1HD ARG 49 9.007 5.412 -8.589 350 HD3 ARG 49 2HD ARG 49 8.639 3.895 -7.769 351 HE ARG 49 HE ARG 49 6.271 5.240 -7.779 352 HH11 ARG 49 1HH1 ARG 49 8.556 4.291 -10.229 353 HH12 ARG 49 2HH1 ARG 49 7.357 4.133 -11.470 354 HH21 ARG 49 1HH2 ARG 49 4.684 5.035 -9.405 355 HH22 ARG 49 2HH2 ARG 49 5.156 4.557 -11.001 356 H ASP 50 H ASP 50 8.760 7.901 -4.697 357 HA ASP 50 HA ASP 50 6.667 9.858 -4.994 358 HB2 ASP 50 1HB ASP 50 8.656 10.580 -3.877 359 HB3 ASP 50 2HB ASP 50 9.675 10.022 -5.200 360 H ILE 51 H ILE 51 5.531 9.887 -6.823 361 HA ILE 51 HA ILE 51 6.244 8.832 -9.278 362 HB ILE 51 HB ILE 51 4.478 10.221 -10.265 363 HG12 ILE 51 1HG1 ILE 51 4.147 11.492 -7.548 364 HG13 ILE 51 2HG1 ILE 51 5.076 12.249 -8.837 365 HG21 ILE 51 1HG2 ILE 51 3.854 8.188 -9.098 366 HG22 ILE 51 2HG2 ILE 51 3.769 9.066 -7.572 367 HG23 ILE 51 3HG2 ILE 51 2.622 9.427 -8.862 368 HD11 ILE 51 3HD1 ILE 51 3.139 12.415 -10.222 369 HD12 ILE 51 1HD1 ILE 51 2.186 11.462 -9.085 370 HD13 ILE 51 2HD1 ILE 51 2.747 13.072 -8.633 371 H ASN 52 H ASN 52 7.427 11.638 -7.778 372 HA ASN 52 HA ASN 52 8.223 12.909 -10.276 373 HB2 ASN 52 1HB ASN 52 8.637 13.732 -7.393 374 HB3 ASN 52 2HB ASN 52 9.149 14.679 -8.788 375 HD21 ASN 52 1HD2 ASN 52 6.401 13.431 -7.027 376 HD22 ASN 52 2HD2 ASN 52 5.243 14.541 -7.668 377 H SER 53 H SER 53 9.511 10.877 -7.798 378 HA SER 53 HA SER 53 12.203 11.156 -8.965 379 HB2 SER 53 1HB SER 53 11.270 10.767 -6.164 380 HB3 SER 53 2HB SER 53 12.764 9.960 -6.640 381 HG SER 53 HG SER 53 12.200 12.735 -6.849 382 H GLN 54 H GLN 54 13.526 9.046 -8.489 383 HA GLN 54 HA GLN 54 11.895 6.812 -9.485 384 HB2 GLN 54 1HB GLN 54 14.019 5.891 -10.351 385 HB3 GLN 54 2HB GLN 54 13.654 7.478 -11.015 386 HG2 GLN 54 1HG GLN 54 15.175 8.400 -9.188 387 HG3 GLN 54 2HG GLN 54 15.716 6.736 -8.972 388 HE21 GLN 54 1HE2 GLN 54 17.600 8.455 -9.622 389 HE22 GLN 54 2HE2 GLN 54 18.077 8.297 -11.276 390 H GLN 55 H GLN 55 12.521 7.744 -6.632 391 HA GLN 55 HA GLN 55 13.983 5.476 -5.564 392 HB2 GLN 55 1HB GLN 55 14.317 7.714 -4.599 393 HB3 GLN 55 2HB GLN 55 12.618 7.771 -4.146 394 HG2 GLN 55 1HG GLN 55 13.904 7.221 -2.215 395 HG3 GLN 55 2HG GLN 55 12.987 5.796 -2.700 396 HE21 GLN 55 1HE2 GLN 55 14.071 4.031 -3.579 397 HE22 GLN 55 2HE2 GLN 55 15.779 3.832 -3.420 398 H GLU 56 H GLU 56 12.862 3.617 -5.616 399 HA GLU 56 HA GLU 56 10.031 3.616 -4.902 400 HB2 GLU 56 1HB GLU 56 11.173 2.323 -6.888 401 HB3 GLU 56 2HB GLU 56 11.543 1.142 -5.639 402 HG2 GLU 56 1HG GLU 56 9.254 0.756 -5.194 403 HG3 GLU 56 2HG GLU 56 8.762 2.153 -6.150 404 H LEU 57 H LEU 57 9.212 2.705 -3.086 405 HA LEU 57 HA LEU 57 10.882 1.073 -1.366 406 HB2 LEU 57 1HB LEU 57 9.679 3.631 -0.326 407 HB3 LEU 57 2HB LEU 57 10.647 2.469 0.580 408 HG LEU 57 HG LEU 57 11.801 3.921 -1.776 409 HD11 LEU 57 1HD1 LEU 57 12.252 5.815 -0.608 410 HD12 LEU 57 2HD1 LEU 57 12.248 4.992 0.951 411 HD13 LEU 57 3HD1 LEU 57 10.722 5.387 0.159 412 HD21 LEU 57 3HD2 LEU 57 13.296 3.194 0.683 413 HD22 LEU 57 1HD2 LEU 57 13.816 3.198 -1.003 414 HD23 LEU 57 2HD2 LEU 57 12.800 1.889 -0.396 415 H GLN 58 H GLN 58 9.704 -0.053 0.245 416 HA GLN 58 HA GLN 58 6.796 0.230 0.206 417 HB2 GLN 58 1HB GLN 58 8.025 -2.498 -0.089 418 HB3 GLN 58 2HB GLN 58 6.355 -2.014 -0.349 419 HG2 GLN 58 1HG GLN 58 7.000 -2.189 -2.506 420 HG3 GLN 58 2HG GLN 58 7.477 -0.516 -2.224 421 HE21 GLN 58 1HE2 GLN 58 9.317 -0.128 -3.214 422 HE22 GLN 58 2HE2 GLN 58 10.697 -1.167 -3.246 423 H ASN 59 H ASN 59 5.863 -1.520 1.817 424 HA ASN 59 HA ASN 59 7.629 -1.931 4.099 425 HB2 ASN 59 1HB ASN 59 5.213 -0.145 4.103 426 HB3 ASN 59 2HB ASN 59 5.705 -0.982 5.572 427 HD21 ASN 59 1HD2 ASN 59 8.384 -0.868 5.514 428 HD22 ASN 59 2HD2 ASN 59 8.928 0.771 5.555 429 H ILE 60 H ILE 60 6.366 -3.108 5.896 430 HA ILE 60 HA ILE 60 4.305 -4.867 4.771 431 HB ILE 60 HB ILE 60 6.687 -5.878 6.328 432 HG12 ILE 60 1HG1 ILE 60 6.003 -6.276 3.408 433 HG13 ILE 60 2HG1 ILE 60 7.240 -5.175 4.006 434 HG21 ILE 60 1HG2 ILE 60 5.789 -8.017 6.165 435 HG22 ILE 60 2HG2 ILE 60 4.384 -7.015 6.527 436 HG23 ILE 60 3HG2 ILE 60 4.678 -7.558 4.875 437 HD11 ILE 60 3HD1 ILE 60 8.637 -6.901 4.656 438 HD12 ILE 60 1HD1 ILE 60 7.328 -8.082 4.691 439 HD13 ILE 60 2HD1 ILE 60 7.941 -7.491 3.147 440 H THR 61 H THR 61 2.683 -5.334 6.139 441 HA THR 61 HA THR 61 3.028 -5.158 9.006 442 HB THR 61 HB THR 61 2.605 -2.820 8.504 443 HG1 THR 61 1HG THR 61 1.466 -2.928 10.277 444 HG21 THR 61 3HG2 THR 61 1.302 -2.194 6.812 445 HG22 THR 61 1HG2 THR 61 -0.099 -2.905 7.611 446 HG23 THR 61 2HG2 THR 61 0.882 -3.881 6.516 447 H THR 62 H THR 62 1.525 -6.334 10.125 448 HA THR 62 HA THR 62 -0.134 -8.108 8.563 449 HB THR 62 HB THR 62 -0.599 -9.252 10.660 450 HG1 THR 62 1HG THR 62 0.955 -7.244 11.949 451 HG21 THR 62 3HG2 THR 62 2.295 -8.460 10.336 452 HG22 THR 62 1HG2 THR 62 1.482 -9.838 9.595 453 HG23 THR 62 2HG2 THR 62 1.735 -9.797 11.340 454 H ASP 63 H ASP 63 -0.724 -5.129 9.003 455 HA ASP 63 HA ASP 63 -3.510 -5.488 9.897 456 HB2 ASP 63 1HB ASP 63 -1.536 -3.324 10.469 457 HB3 ASP 63 2HB ASP 63 -3.234 -2.881 10.309 458 H THR 64 H THR 64 -5.060 -3.978 8.910 459 HA THR 64 HA THR 64 -4.625 -3.834 6.061 460 HB THR 64 HB THR 64 -7.016 -2.670 6.308 461 HG1 THR 64 1HG THR 64 -6.634 -2.878 8.728 462 HG21 THR 64 3HG2 THR 64 -6.154 -5.071 5.474 463 HG22 THR 64 1HG2 THR 64 -7.863 -4.652 5.588 464 HG23 THR 64 2HG2 THR 64 -7.092 -5.574 6.879 465 H ARG 65 H ARG 65 -3.269 -1.998 8.128 466 HA ARG 65 HA ARG 65 -3.605 0.432 6.549 467 HB2 ARG 65 1HB ARG 65 -3.846 1.861 8.479 468 HB3 ARG 65 2HB ARG 65 -5.118 0.647 8.506 469 HG2 ARG 65 1HG ARG 65 -4.480 0.560 10.681 470 HG3 ARG 65 2HG ARG 65 -3.363 -0.633 10.015 471 HD2 ARG 65 1HD ARG 65 -1.789 1.402 9.683 472 HD3 ARG 65 2HD ARG 65 -2.838 2.189 10.861 473 HE ARG 65 HE ARG 65 -0.924 0.096 11.361 474 HH11 ARG 65 1HH1 ARG 65 -3.793 1.707 12.499 475 HH12 ARG 65 2HH1 ARG 65 -3.556 1.245 14.151 476 HH21 ARG 65 1HH2 ARG 65 -0.600 -0.519 13.534 477 HH22 ARG 65 2HH2 ARG 65 -1.738 -0.020 14.739 478 H PHE 66 H PHE 66 -1.892 2.073 7.128 479 HA PHE 66 HA PHE 66 0.452 1.204 8.499 480 HB2 PHE 66 1HB PHE 66 0.583 -0.128 6.374 481 HB3 PHE 66 2HB PHE 66 0.676 1.392 5.491 482 HD1 PHE 66 1HD PHE 66 2.424 -0.862 7.793 483 HD2 PHE 66 2HD PHE 66 2.679 2.708 5.489 484 HE1 PHE 66 1HE PHE 66 4.864 -0.836 8.110 485 HE2 PHE 66 2HE PHE 66 5.119 2.739 5.801 486 HZ PHE 66 HZ PHE 66 6.215 0.966 7.112 487 H THR 67 H THR 67 2.269 2.785 8.208 488 HA THR 67 HA THR 67 1.344 5.428 7.326 489 HB THR 67 HB THR 67 2.742 4.971 9.967 490 HG1 THR 67 1HG THR 67 0.020 5.665 9.472 491 HG21 THR 67 3HG2 THR 67 1.296 7.476 9.339 492 HG22 THR 67 1HG2 THR 67 2.813 7.207 8.483 493 HG23 THR 67 2HG2 THR 67 2.786 7.225 10.247 494 H LEU 68 H LEU 68 2.730 5.982 5.777 495 HA LEU 68 HA LEU 68 5.349 4.955 5.525 496 HB2 LEU 68 1HB LEU 68 3.994 7.320 4.248 497 HB3 LEU 68 2HB LEU 68 5.608 6.767 3.806 498 HG LEU 68 HG LEU 68 4.444 5.710 2.179 499 HD11 LEU 68 1HD1 LEU 68 4.030 3.842 4.508 500 HD12 LEU 68 2HD1 LEU 68 5.441 3.919 3.453 501 HD13 LEU 68 3HD1 LEU 68 3.886 3.393 2.808 502 HD21 LEU 68 3HD2 LEU 68 2.289 6.741 3.127 503 HD22 LEU 68 1HD2 LEU 68 2.054 5.177 3.908 504 HD23 LEU 68 2HD2 LEU 68 2.154 5.278 2.150 505 H THR 69 H THR 69 7.258 6.547 5.223 506 HA THR 69 HA THR 69 7.301 8.813 6.997 507 HB THR 69 HB THR 69 8.966 8.016 8.544 508 HG1 THR 69 1HG THR 69 9.034 5.837 6.790 509 HG21 THR 69 3HG2 THR 69 6.611 7.565 9.108 510 HG22 THR 69 1HG2 THR 69 7.694 6.345 9.778 511 HG23 THR 69 2HG2 THR 69 6.741 5.983 8.339 512 H GLY 70 H GLY 70 9.502 9.823 7.069 513 HA2 GLY 70 1HA GLY 70 11.337 10.668 5.979 514 HA3 GLY 70 2HA GLY 70 11.584 9.046 5.351 515 H LEU 71 H LEU 71 8.889 11.294 4.823 516 HA LEU 71 HA LEU 71 9.491 11.174 1.942 517 HB2 LEU 71 1HB LEU 71 6.796 11.887 3.012 518 HB3 LEU 71 2HB LEU 71 7.230 11.197 1.450 519 HG LEU 71 HG LEU 71 7.454 9.647 4.019 520 HD11 LEU 71 1HD1 LEU 71 5.272 9.205 4.061 521 HD12 LEU 71 2HD1 LEU 71 5.198 8.982 2.314 522 HD13 LEU 71 3HD1 LEU 71 5.078 10.601 3.001 523 HD21 LEU 71 3HD2 LEU 71 7.720 9.075 1.117 524 HD22 LEU 71 1HD2 LEU 71 7.010 7.829 2.144 525 HD23 LEU 71 2HD2 LEU 71 8.630 8.436 2.488 526 H LYS 72 H LYS 72 8.969 13.078 0.678 527 HA LYS 72 HA LYS 72 9.722 15.500 2.080 528 HB2 LYS 72 1HB LYS 72 10.534 14.658 -0.263 529 HB3 LYS 72 2HB LYS 72 9.047 15.400 -0.838 530 HG2 LYS 72 1HG LYS 72 9.730 17.547 -0.098 531 HG3 LYS 72 2HG LYS 72 11.094 16.874 0.798 532 HD2 LYS 72 1HD LYS 72 12.081 17.710 -1.139 533 HD3 LYS 72 2HD LYS 72 11.881 15.993 -1.494 534 HE2 LYS 72 1HE LYS 72 9.674 17.837 -2.239 535 HE3 LYS 72 2HE LYS 72 11.148 17.884 -3.205 536 HZ1 LYS 72 3HZ LYS 72 10.498 16.060 -4.246 537 HZ2 LYS 72 1HZ LYS 72 9.061 16.044 -3.353 538 HZ3 LYS 72 2HZ LYS 72 10.417 15.205 -2.788 539 HA PRO 73 HA PRO 73 5.624 17.061 2.529 540 HB2 PRO 73 1HB PRO 73 6.230 19.688 2.844 541 HB3 PRO 73 2HB PRO 73 6.505 18.481 4.105 542 HG2 PRO 73 1HG PRO 73 8.446 19.656 2.152 543 HG3 PRO 73 2HG PRO 73 8.658 19.333 3.883 544 HD2 PRO 73 1HD PRO 73 9.634 17.691 1.963 545 HD3 PRO 73 2HD PRO 73 9.080 17.093 3.541 546 H ASP 74 H ASP 74 4.033 18.041 1.324 547 HA ASP 74 HA ASP 74 2.988 18.775 -0.561 548 HB2 ASP 74 1HB ASP 74 4.001 20.903 0.164 549 HB3 ASP 74 2HB ASP 74 5.442 20.532 -0.778 550 H THR 75 H THR 75 4.381 16.412 -0.911 551 HA THR 75 HA THR 75 5.106 16.620 -3.746 552 HB THR 75 HB THR 75 6.725 15.253 -1.604 553 HG1 THR 75 1HG THR 75 7.668 17.146 -1.969 554 HG21 THR 75 3HG2 THR 75 8.024 14.176 -3.362 555 HG22 THR 75 1HG2 THR 75 6.945 14.838 -4.589 556 HG23 THR 75 2HG2 THR 75 6.343 13.649 -3.433 557 H THR 76 H THR 76 3.996 15.228 -4.947 558 HA THR 76 HA THR 76 2.123 13.434 -3.867 559 HB THR 76 HB THR 76 3.265 13.368 -6.666 560 HG1 THR 76 1HG THR 76 1.217 14.951 -5.491 561 HG21 THR 76 3HG2 THR 76 0.439 12.746 -6.228 562 HG22 THR 76 1HG2 THR 76 1.546 11.602 -5.470 563 HG23 THR 76 2HG2 THR 76 1.644 11.908 -7.204 564 H TYR 77 H TYR 77 2.272 11.386 -3.208 565 HA TYR 77 HA TYR 77 4.694 9.865 -3.915 566 HB2 TYR 77 1HB TYR 77 3.417 10.336 -1.265 567 HB3 TYR 77 2HB TYR 77 4.119 8.750 -1.564 568 HD1 TYR 77 1HD TYR 77 6.542 8.530 -1.994 569 HD2 TYR 77 2HD TYR 77 4.798 12.266 -0.944 570 HE1 TYR 77 1HE TYR 77 8.772 9.409 -1.443 571 HE2 TYR 77 2HE TYR 77 7.023 13.156 -0.390 572 HH TYR 77 HH TYR 77 9.944 11.171 -0.778 573 H ASP 78 H ASP 78 4.082 8.316 -5.272 574 HA ASP 78 HA ASP 78 1.452 7.266 -5.414 575 HB2 ASP 78 1HB ASP 78 2.753 7.236 -7.408 576 HB3 ASP 78 2HB ASP 78 4.073 6.380 -6.616 577 H ILE 79 H ILE 79 0.739 6.307 -3.571 578 HA ILE 79 HA ILE 79 2.341 4.082 -2.495 579 HB ILE 79 HB ILE 79 0.090 5.535 -1.105 580 HG12 ILE 79 1HG1 ILE 79 2.945 5.846 -0.293 581 HG13 ILE 79 2HG1 ILE 79 2.374 6.763 -1.683 582 HG21 ILE 79 1HG2 ILE 79 2.132 4.075 0.425 583 HG22 ILE 79 2HG2 ILE 79 0.385 4.152 0.645 584 HG23 ILE 79 3HG2 ILE 79 1.074 3.073 -0.568 585 HD11 ILE 79 3HD1 ILE 79 2.277 7.703 0.792 586 HD12 ILE 79 1HD1 ILE 79 1.070 8.116 -0.425 587 HD13 ILE 79 2HD1 ILE 79 0.727 6.864 0.769 588 H LYS 80 H LYS 80 1.532 2.062 -2.470 589 HA LYS 80 HA LYS 80 -1.304 1.664 -3.108 590 HB2 LYS 80 1HB LYS 80 -0.402 -0.350 -4.530 591 HB3 LYS 80 2HB LYS 80 -0.496 1.261 -5.229 592 HG2 LYS 80 1HG LYS 80 1.978 1.401 -4.281 593 HG3 LYS 80 2HG LYS 80 1.872 -0.351 -4.476 594 HD2 LYS 80 1HD LYS 80 1.143 1.581 -6.667 595 HD3 LYS 80 2HD LYS 80 2.778 0.949 -6.455 596 HE2 LYS 80 1HE LYS 80 1.818 -1.354 -6.595 597 HE3 LYS 80 2HE LYS 80 0.265 -0.625 -7.002 598 HZ1 LYS 80 3HZ LYS 80 0.907 -0.327 -9.093 599 HZ2 LYS 80 1HZ LYS 80 2.246 -1.305 -8.759 600 HZ3 LYS 80 2HZ LYS 80 2.377 0.377 -8.639 601 H VAL 81 H VAL 81 -1.626 -0.931 -3.058 602 HA VAL 81 HA VAL 81 -0.130 -2.138 -0.878 603 HB VAL 81 HB VAL 81 -2.215 -0.739 -0.043 604 HG11 VAL 81 1HG1 VAL 81 -3.525 -3.395 -0.546 605 HG12 VAL 81 2HG1 VAL 81 -4.263 -1.891 0.009 606 HG13 VAL 81 3HG1 VAL 81 -3.699 -2.036 -1.656 607 HG21 VAL 81 3HG2 VAL 81 -2.014 -1.872 1.921 608 HG22 VAL 81 1HG2 VAL 81 -2.103 -3.453 1.145 609 HG23 VAL 81 2HG2 VAL 81 -0.603 -2.528 1.090 610 H ARG 82 H ARG 82 -0.660 -4.412 -0.566 611 HA ARG 82 HA ARG 82 -2.327 -5.715 -2.531 612 HB2 ARG 82 1HB ARG 82 -0.552 -7.063 -3.515 613 HB3 ARG 82 2HB ARG 82 -0.245 -5.354 -3.792 614 HG2 ARG 82 1HG ARG 82 1.430 -5.312 -2.081 615 HG3 ARG 82 2HG ARG 82 1.036 -6.962 -1.595 616 HD2 ARG 82 1HD ARG 82 1.802 -7.812 -3.724 617 HD3 ARG 82 2HD ARG 82 2.085 -6.173 -4.309 618 HE ARG 82 HE ARG 82 3.549 -6.911 -1.924 619 HH11 ARG 82 1HH1 ARG 82 3.542 -6.708 -5.399 620 HH12 ARG 82 2HH1 ARG 82 5.269 -6.712 -5.533 621 HH21 ARG 82 1HH2 ARG 82 5.824 -6.918 -2.087 622 HH22 ARG 82 2HH2 ARG 82 6.567 -6.833 -3.649 623 H ALA 83 H ALA 83 -3.167 -7.530 -1.708 624 HA ALA 83 HA ALA 83 -2.482 -8.324 0.956 625 HB1 ALA 83 3HB ALA 83 -4.742 -8.500 -0.604 626 HB2 ALA 83 1HB ALA 83 -4.194 -10.174 -0.497 627 HB3 ALA 83 2HB ALA 83 -4.510 -9.253 0.974 628 H TRP 84 H TRP 84 -1.779 -10.406 1.631 629 HA TRP 84 HA TRP 84 -0.330 -11.929 -0.432 630 HB2 TRP 84 1HB TRP 84 0.604 -11.093 2.311 631 HB3 TRP 84 2HB TRP 84 1.357 -12.417 1.427 632 HD1 TRP 84 HD TRP 84 0.542 -8.672 0.763 633 HE1 TRP 84 1HE TRP 84 2.497 -7.670 -0.579 634 HE3 TRP 84 3HE TRP 84 3.401 -12.877 0.232 635 HZ2 TRP 84 2HZ TRP 84 4.928 -8.547 -1.714 636 HZ3 TRP 84 3HZ TRP 84 5.527 -12.710 -0.996 637 HH2 TRP 84 HH TRP 84 6.273 -10.590 -1.948 638 H THR 85 H THR 85 -0.238 -14.163 -0.174 639 HA THR 85 HA THR 85 -1.989 -15.267 1.925 640 HB THR 85 HB THR 85 -2.605 -17.066 0.313 641 HG1 THR 85 1HG THR 85 -0.864 -15.587 -1.284 642 HG21 THR 85 3HG2 THR 85 -3.427 -14.290 0.242 643 HG22 THR 85 1HG2 THR 85 -4.405 -15.753 0.147 644 HG23 THR 85 2HG2 THR 85 -3.681 -15.080 -1.313 645 H SER 86 H SER 86 -1.551 -17.533 2.479 646 HA SER 86 HA SER 86 1.022 -18.001 3.294 647 HB2 SER 86 1HB SER 86 -0.725 -19.325 4.229 648 HB3 SER 86 2HB SER 86 -1.187 -19.957 2.648 649 HG SER 86 HG SER 86 1.421 -20.401 3.564 650 H LYS 87 H LYS 87 -0.278 -18.356 0.136 651 HA LYS 87 HA LYS 87 1.751 -20.158 -0.829 652 HB2 LYS 87 1HB LYS 87 -0.246 -18.458 -2.335 653 HB3 LYS 87 2HB LYS 87 0.767 -19.707 -3.047 654 HG2 LYS 87 1HG LYS 87 -0.976 -20.469 -0.770 655 HG3 LYS 87 2HG LYS 87 -1.735 -20.165 -2.335 656 HD2 LYS 87 1HD LYS 87 0.141 -21.731 -3.239 657 HD3 LYS 87 2HD LYS 87 0.245 -22.270 -1.561 658 HE2 LYS 87 1HE LYS 87 -1.957 -23.070 -1.566 659 HE3 LYS 87 2HE LYS 87 -2.379 -22.157 -3.013 660 HZ1 LYS 87 3HZ LYS 87 -0.260 -24.150 -3.259 661 HZ2 LYS 87 1HZ LYS 87 -1.454 -23.697 -4.369 662 HZ3 LYS 87 2HZ LYS 87 -1.841 -24.726 -3.083 663 H GLY 88 H GLY 88 0.933 -16.777 -1.656 664 HA2 GLY 88 1HA GLY 88 3.634 -15.898 -1.446 665 HA3 GLY 88 2HA GLY 88 3.199 -16.180 -3.125 666 H SER 89 H SER 89 3.016 -14.198 -3.974 667 HA SER 89 HA SER 89 1.314 -12.253 -2.559 668 HB2 SER 89 1HB SER 89 3.610 -11.458 -2.792 669 HB3 SER 89 2HB SER 89 3.557 -11.751 -4.530 670 HG SER 89 HG SER 89 2.639 -9.628 -3.104 671 H GLY 90 H GLY 90 0.160 -10.710 -4.035 672 HA2 GLY 90 1HA GLY 90 -0.718 -12.098 -6.492 673 HA3 GLY 90 2HA GLY 90 -1.854 -11.323 -5.398 674 HA PRO 91 HA PRO 91 -1.172 -8.181 -8.608 675 HB2 PRO 91 1HB PRO 91 -3.573 -6.972 -8.225 676 HB3 PRO 91 2HB PRO 91 -3.373 -8.419 -9.221 677 HG2 PRO 91 1HG PRO 91 -4.323 -8.183 -6.392 678 HG3 PRO 91 2HG PRO 91 -4.964 -9.185 -7.707 679 HD2 PRO 91 1HD PRO 91 -3.353 -10.179 -5.771 680 HD3 PRO 91 2HD PRO 91 -3.344 -10.802 -7.434 681 H LEU 92 H LEU 92 -1.609 -5.711 -8.445 682 HA LEU 92 HA LEU 92 -0.928 -4.802 -5.726 683 HB2 LEU 92 1HB LEU 92 0.337 -4.239 -8.345 684 HB3 LEU 92 2HB LEU 92 0.214 -2.898 -7.209 685 HG LEU 92 HG LEU 92 1.448 -5.508 -6.393 686 HD11 LEU 92 1HD1 LEU 92 3.618 -4.674 -7.031 687 HD12 LEU 92 2HD1 LEU 92 2.901 -3.193 -7.665 688 HD13 LEU 92 3HD1 LEU 92 2.573 -4.737 -8.451 689 HD21 LEU 92 3HD2 LEU 92 1.320 -4.320 -4.479 690 HD22 LEU 92 1HD2 LEU 92 1.207 -2.772 -5.318 691 HD23 LEU 92 2HD2 LEU 92 2.776 -3.551 -5.111 692 H SER 93 H SER 93 -2.336 -3.417 -4.899 693 HA SER 93 HA SER 93 -4.602 -2.491 -6.225 694 HB2 SER 93 1HB SER 93 -5.149 -1.391 -4.253 695 HB3 SER 93 2HB SER 93 -4.022 -2.615 -3.669 696 HG SER 93 HG SER 93 -3.379 0.080 -4.293 697 HA PRO 94 HA PRO 94 -3.377 1.049 -8.509 698 HB2 PRO 94 1HB PRO 94 -5.566 2.634 -8.251 699 HB3 PRO 94 2HB PRO 94 -5.548 1.176 -9.251 700 HG2 PRO 94 1HG PRO 94 -6.610 1.559 -6.478 701 HG3 PRO 94 2HG PRO 94 -7.328 0.679 -7.840 702 HD2 PRO 94 1HD PRO 94 -6.018 -0.570 -5.826 703 HD3 PRO 94 2HD PRO 94 -6.014 -1.183 -7.492 704 H SER 95 H SER 95 -1.826 2.372 -7.800 705 HA SER 95 HA SER 95 -1.488 3.416 -5.285 706 HB2 SER 95 1HB SER 95 -0.272 5.343 -6.708 707 HB3 SER 95 2HB SER 95 0.413 3.729 -6.517 708 HG SER 95 HG SER 95 0.433 4.030 -8.662 709 H ILE 96 H ILE 96 -1.808 5.490 -4.358 710 HA ILE 96 HA ILE 96 -4.198 6.852 -5.400 711 HB ILE 96 HB ILE 96 -4.234 7.837 -3.013 712 HG12 ILE 96 1HG1 ILE 96 -2.562 5.368 -2.505 713 HG13 ILE 96 2HG1 ILE 96 -1.942 7.015 -2.450 714 HG21 ILE 96 1HG2 ILE 96 -4.779 4.915 -2.954 715 HG22 ILE 96 2HG2 ILE 96 -5.783 6.264 -2.424 716 HG23 ILE 96 3HG2 ILE 96 -5.626 5.904 -4.143 717 HD11 ILE 96 3HD1 ILE 96 -3.462 5.516 -0.474 718 HD12 ILE 96 1HD1 ILE 96 -2.408 6.916 -0.278 719 HD13 ILE 96 2HD1 ILE 96 -4.089 7.138 -0.763 720 H GLN 97 H GLN 97 -0.860 7.260 -4.601 721 HA GLN 97 HA GLN 97 0.591 8.992 -4.855 722 HB2 GLN 97 1HB GLN 97 -1.608 9.644 -6.740 723 HB3 GLN 97 2HB GLN 97 -0.485 10.941 -6.352 724 HG2 GLN 97 1HG GLN 97 1.256 9.946 -7.416 725 HG3 GLN 97 2HG GLN 97 0.665 8.316 -7.097 726 HE21 GLN 97 1HE2 GLN 97 0.080 7.277 -8.849 727 HE22 GLN 97 2HE2 GLN 97 -0.610 7.972 -10.272 728 H SER 98 H SER 98 -0.718 8.999 -2.486 729 HA SER 98 HA SER 98 -2.047 11.437 -1.891 730 HB2 SER 98 1HB SER 98 -1.925 9.133 -0.584 731 HB3 SER 98 2HB SER 98 -0.585 9.933 0.238 732 HG SER 98 HG SER 98 -2.329 11.738 0.328 733 H ARG 99 H ARG 99 -1.046 13.328 -2.181 734 HA ARG 99 HA ARG 99 1.783 13.650 -1.804 735 HB2 ARG 99 1HB ARG 99 0.782 14.950 -3.531 736 HB3 ARG 99 2HB ARG 99 -0.447 15.577 -2.441 737 HG2 ARG 99 1HG ARG 99 1.179 16.897 -1.272 738 HG3 ARG 99 2HG ARG 99 2.493 16.167 -2.196 739 HD2 ARG 99 1HD ARG 99 0.298 17.507 -3.687 740 HD3 ARG 99 2HD ARG 99 1.468 18.520 -2.842 741 HE ARG 99 HE ARG 99 3.020 16.793 -4.239 742 HH11 ARG 99 1HH1 ARG 99 0.402 18.919 -5.103 743 HH12 ARG 99 2HH1 ARG 99 0.987 19.199 -6.710 744 HH21 ARG 99 1HH2 ARG 99 3.800 17.153 -6.352 745 HH22 ARG 99 2HH2 ARG 99 2.919 18.193 -7.419 746 H THR 100 H THR 100 2.696 13.852 0.122 747 HA THR 100 HA THR 100 1.522 14.093 2.562 748 HB THR 100 HB THR 100 3.666 15.068 3.400 749 HG1 THR 100 1HG THR 100 4.050 15.378 0.636 750 HG21 THR 100 3HG2 THR 100 5.097 13.140 2.286 751 HG22 THR 100 1HG2 THR 100 3.516 12.631 1.694 752 HG23 THR 100 2HG2 THR 100 3.803 12.780 3.428 753 H MET 101 H MET 101 1.272 15.826 4.081 754 HA MET 101 HA MET 101 -0.041 18.082 3.012 755 HB2 MET 101 1HB MET 101 -0.580 18.610 5.178 756 HB3 MET 101 2HB MET 101 -0.177 16.910 5.378 757 HG2 MET 101 1HG MET 101 2.150 17.657 5.992 758 HG3 MET 101 2HG MET 101 1.511 19.298 6.051 759 HE1 MET 101 3HE MET 101 -1.464 18.858 7.420 760 HE2 MET 101 1HE MET 101 -0.879 19.316 9.019 761 HE3 MET 101 2HE MET 101 -0.256 20.133 7.586 762 HA PRO 102 HA PRO 102 3.329 20.805 2.201 763 HB2 PRO 102 1HB PRO 102 1.962 23.150 2.205 764 HB3 PRO 102 2HB PRO 102 1.858 21.980 0.884 765 HG2 PRO 102 1HG PRO 102 -0.027 22.433 3.165 766 HG3 PRO 102 2HG PRO 102 -0.390 22.148 1.453 767 HD2 PRO 102 1HD PRO 102 -0.566 20.198 3.323 768 HD3 PRO 102 2HD PRO 102 -0.103 19.869 1.641 769 H VAL 103 H VAL 103 4.653 20.752 3.992 770 HA VAL 103 HA VAL 103 4.066 21.625 6.562 771 HB VAL 103 HB VAL 103 6.080 20.321 5.976 772 HG11 VAL 103 1HG1 VAL 103 7.965 22.259 5.341 773 HG12 VAL 103 2HG1 VAL 103 7.314 21.025 4.260 774 HG13 VAL 103 3HG1 VAL 103 6.586 22.631 4.308 775 HG21 VAL 103 3HG2 VAL 103 7.403 22.571 7.240 776 HG22 VAL 103 1HG2 VAL 103 5.804 22.271 7.921 777 HG23 VAL 103 2HG2 VAL 103 7.008 20.982 7.894 Start of MODEL 2 1 H1 GLY 1 H GLY 1 5.499 -20.959 -15.459 2 HA2 GLY 1 1HA GLY 1 4.910 -19.363 -17.115 3 HA3 GLY 1 2HA GLY 1 3.855 -20.559 -17.854 4 H SER 2 H SER 2 2.212 -21.369 -15.928 5 HA SER 2 HA SER 2 0.761 -18.913 -15.253 6 HB2 SER 2 1HB SER 2 -0.059 -21.749 -15.760 7 HB3 SER 2 2HB SER 2 -1.095 -20.719 -14.772 8 HG SER 2 HG SER 2 -0.877 -20.785 -17.423 9 H SER 3 H SER 3 1.828 -21.978 -13.829 10 HA SER 3 HA SER 3 0.984 -21.157 -11.181 11 HB2 SER 3 1HB SER 3 0.835 -23.535 -11.982 12 HB3 SER 3 2HB SER 3 2.597 -23.597 -11.958 13 HG SER 3 HG SER 3 0.818 -23.270 -9.785 14 H GLY 4 H GLY 4 2.573 -21.367 -9.347 15 HA2 GLY 4 1HA GLY 4 5.176 -21.376 -9.148 16 HA3 GLY 4 2HA GLY 4 5.003 -19.894 -10.078 17 H SER 5 H SER 5 2.971 -18.576 -8.998 18 HA SER 5 HA SER 5 3.972 -17.953 -6.331 19 HB2 SER 5 1HB SER 5 2.379 -16.493 -8.391 20 HB3 SER 5 2HB SER 5 2.182 -16.025 -6.702 21 HG SER 5 HG SER 5 4.392 -15.617 -6.596 22 H SER 6 H SER 6 0.839 -18.544 -7.917 23 HA SER 6 HA SER 6 -1.142 -19.340 -7.131 24 HB2 SER 6 1HB SER 6 0.553 -20.536 -4.926 25 HB3 SER 6 2HB SER 6 -1.076 -21.038 -5.380 26 HG SER 6 HG SER 6 0.855 -21.014 -7.385 27 H GLY 7 H GLY 7 -0.667 -16.731 -6.496 28 HA2 GLY 7 1HA GLY 7 -1.406 -16.437 -3.667 29 HA3 GLY 7 2HA GLY 7 -0.810 -15.153 -4.709 30 HA PRO 8 HA PRO 8 -5.427 -14.752 -4.305 31 HB2 PRO 8 1HB PRO 8 -5.390 -12.110 -3.684 32 HB3 PRO 8 2HB PRO 8 -5.248 -13.385 -2.468 33 HG2 PRO 8 1HG PRO 8 -3.100 -11.734 -3.742 34 HG3 PRO 8 2HG PRO 8 -3.294 -12.198 -2.042 35 HD2 PRO 8 1HD PRO 8 -1.581 -13.466 -3.712 36 HD3 PRO 8 2HD PRO 8 -2.414 -14.300 -2.385 37 H SER 9 H SER 9 -6.742 -14.051 -5.918 38 HA SER 9 HA SER 9 -5.450 -12.689 -8.173 39 HB2 SER 9 1HB SER 9 -7.066 -13.681 -9.590 40 HB3 SER 9 2HB SER 9 -6.630 -14.948 -8.444 41 HG SER 9 HG SER 9 -8.566 -13.831 -7.256 42 H GLY 10 H GLY 10 -6.292 -11.214 -5.850 43 HA2 GLY 10 1HA GLY 10 -7.942 -9.248 -7.195 44 HA3 GLY 10 2HA GLY 10 -8.687 -9.985 -5.784 45 H PHE 11 H PHE 11 -8.278 -7.287 -5.840 46 HA PHE 11 HA PHE 11 -6.080 -6.948 -3.908 47 HB2 PHE 11 1HB PHE 11 -6.021 -4.535 -4.748 48 HB3 PHE 11 2HB PHE 11 -5.365 -5.764 -5.824 49 HD1 PHE 11 2HD PHE 11 -6.943 -6.680 -7.639 50 HD2 PHE 11 1HD PHE 11 -7.635 -3.061 -5.507 51 HE1 PHE 11 2HE PHE 11 -8.452 -5.919 -9.427 52 HE2 PHE 11 1HE PHE 11 -9.146 -2.295 -7.291 53 HZ PHE 11 HZ PHE 11 -9.555 -3.724 -9.255 54 HA PRO 12 HA PRO 12 -8.998 -5.359 -1.042 55 HB2 PRO 12 1HB PRO 12 -7.520 -3.489 0.257 56 HB3 PRO 12 2HB PRO 12 -7.272 -5.226 0.468 57 HG2 PRO 12 1HG PRO 12 -5.754 -3.290 -1.237 58 HG3 PRO 12 2HG PRO 12 -5.138 -4.591 -0.202 59 HD2 PRO 12 1HD PRO 12 -5.373 -4.853 -2.886 60 HD3 PRO 12 2HD PRO 12 -5.578 -6.220 -1.772 61 H GLN 13 H GLN 13 -9.750 -3.124 -0.101 62 HA GLN 13 HA GLN 13 -9.776 -1.070 -2.189 63 HB2 GLN 13 1HB GLN 13 -12.341 -1.774 -0.813 64 HB3 GLN 13 2HB GLN 13 -12.093 -0.944 -2.343 65 HG2 GLN 13 1HG GLN 13 -11.289 -3.802 -2.060 66 HG3 GLN 13 2HG GLN 13 -12.983 -3.381 -2.308 67 HE21 GLN 13 1HE2 GLN 13 -12.196 -4.839 -4.221 68 HE22 GLN 13 2HE2 GLN 13 -11.750 -3.967 -5.644 69 H ASN 14 H ASN 14 -11.315 0.817 -1.199 70 HA ASN 14 HA ASN 14 -11.442 2.511 0.314 71 HB2 ASN 14 1HB ASN 14 -11.300 0.082 2.026 72 HB3 ASN 14 2HB ASN 14 -11.031 1.636 2.810 73 HD21 ASN 14 1HD2 ASN 14 -13.149 0.857 0.099 74 HD22 ASN 14 2HD2 ASN 14 -14.620 1.298 0.890 75 H LEU 15 H LEU 15 -8.855 1.669 -0.885 76 HA LEU 15 HA LEU 15 -6.823 2.162 1.072 77 HB2 LEU 15 1HB LEU 15 -6.560 0.814 -1.041 78 HB3 LEU 15 2HB LEU 15 -6.558 2.341 -1.921 79 HG LEU 15 HG LEU 15 -4.532 3.012 -0.657 80 HD11 LEU 15 1HD1 LEU 15 -4.840 0.248 0.478 81 HD12 LEU 15 2HD1 LEU 15 -4.658 1.777 1.338 82 HD13 LEU 15 3HD1 LEU 15 -3.293 1.095 0.454 83 HD21 LEU 15 3HD2 LEU 15 -3.069 1.873 -2.044 84 HD22 LEU 15 1HD2 LEU 15 -4.602 1.724 -2.903 85 HD23 LEU 15 2HD2 LEU 15 -3.989 0.370 -1.953 86 H HIS 16 H HIS 16 -6.437 4.084 1.933 87 HA HIS 16 HA HIS 16 -5.952 6.389 0.341 88 HB2 HIS 16 1HB HIS 16 -7.759 7.804 1.358 89 HB3 HIS 16 2HB HIS 16 -8.340 6.588 0.225 90 HD1 HIS 16 1HD HIS 16 -10.212 5.186 1.041 91 HD2 HIS 16 2HD HIS 16 -8.075 6.893 4.168 92 HE1 HIS 16 1HE HIS 16 -11.459 4.554 3.131 93 HE2 HIS 16 2HE HIS 16 -10.195 5.669 5.003 94 H VAL 17 H VAL 17 -6.036 8.418 2.041 95 HA VAL 17 HA VAL 17 -4.406 7.498 4.314 96 HB VAL 17 HB VAL 17 -3.121 8.893 2.839 97 HG11 VAL 17 1HG1 VAL 17 -4.237 11.431 2.952 98 HG12 VAL 17 2HG1 VAL 17 -4.206 10.354 1.555 99 HG13 VAL 17 3HG1 VAL 17 -5.604 10.364 2.630 100 HG21 VAL 17 3HG2 VAL 17 -3.683 10.928 4.891 101 HG22 VAL 17 1HG2 VAL 17 -3.347 9.307 5.500 102 HG23 VAL 17 2HG2 VAL 17 -2.170 10.124 4.472 103 H THR 18 H THR 18 -5.183 7.764 6.295 104 HA THR 18 HA THR 18 -7.639 9.269 6.680 105 HB THR 18 HB THR 18 -7.424 7.025 7.683 106 HG1 THR 18 1HG THR 18 -8.648 7.725 9.264 107 HG21 THR 18 3HG2 THR 18 -5.577 6.399 8.757 108 HG22 THR 18 1HG2 THR 18 -5.823 7.668 9.956 109 HG23 THR 18 2HG2 THR 18 -4.892 8.002 8.496 110 H GLY 19 H GLY 19 -4.282 9.720 7.095 111 HA2 GLY 19 1HA GLY 19 -4.612 12.385 8.017 112 HA3 GLY 19 2HA GLY 19 -4.110 11.344 9.341 113 H LEU 20 H LEU 20 -3.223 12.411 6.084 114 HA LEU 20 HA LEU 20 -0.609 11.330 6.123 115 HB2 LEU 20 1HB LEU 20 -0.323 12.317 4.088 116 HB3 LEU 20 2HB LEU 20 -2.083 12.275 4.172 117 HG LEU 20 HG LEU 20 -0.284 14.653 4.607 118 HD11 LEU 20 1HD1 LEU 20 -0.753 15.215 2.508 119 HD12 LEU 20 2HD1 LEU 20 -2.474 14.904 2.734 120 HD13 LEU 20 3HD1 LEU 20 -1.389 13.583 2.301 121 HD21 LEU 20 3HD2 LEU 20 -3.117 14.172 5.358 122 HD22 LEU 20 1HD2 LEU 20 -2.693 15.746 4.685 123 HD23 LEU 20 2HD2 LEU 20 -1.888 15.165 6.143 124 H THR 21 H THR 21 1.358 12.816 5.885 125 HA THR 21 HA THR 21 1.240 15.144 7.648 126 HB THR 21 HB THR 21 3.414 13.112 8.078 127 HG1 THR 21 1HG THR 21 1.893 12.754 10.063 128 HG21 THR 21 3HG2 THR 21 3.300 14.249 10.381 129 HG22 THR 21 1HG2 THR 21 2.328 15.479 9.576 130 HG23 THR 21 2HG2 THR 21 3.980 15.172 9.042 131 H THR 22 H THR 22 3.161 16.493 7.526 132 HA THR 22 HA THR 22 3.981 17.058 4.950 133 HB THR 22 HB THR 22 5.792 18.411 5.947 134 HG1 THR 22 1HG THR 22 5.617 18.352 8.421 135 HG21 THR 22 3HG2 THR 22 4.329 19.800 7.448 136 HG22 THR 22 1HG2 THR 22 3.096 18.549 7.294 137 HG23 THR 22 2HG2 THR 22 3.635 19.437 5.868 138 H SER 23 H SER 23 5.594 15.069 7.394 139 HA SER 23 HA SER 23 7.614 14.308 5.402 140 HB2 SER 23 1HB SER 23 8.892 13.417 7.327 141 HB3 SER 23 2HB SER 23 8.524 15.132 7.514 142 HG SER 23 HG SER 23 8.135 13.721 9.393 143 H THR 24 H THR 24 5.280 12.963 7.692 144 HA THR 24 HA THR 24 5.665 10.304 6.513 145 HB THR 24 HB THR 24 4.616 9.368 8.418 146 HG1 THR 24 1HG THR 24 2.882 10.736 8.737 147 HG21 THR 24 3HG2 THR 24 5.856 10.445 10.339 148 HG22 THR 24 1HG2 THR 24 6.397 11.672 9.195 149 HG23 THR 24 2HG2 THR 24 6.848 9.983 8.957 150 H THR 25 H THR 25 3.513 8.992 6.497 151 HA THR 25 HA THR 25 1.194 10.558 5.730 152 HB THR 25 HB THR 25 2.780 8.938 3.764 153 HG1 THR 25 1HG THR 25 1.418 11.443 3.653 154 HG21 THR 25 3HG2 THR 25 0.574 7.931 3.715 155 HG22 THR 25 1HG2 THR 25 0.804 8.924 2.276 156 HG23 THR 25 2HG2 THR 25 -0.180 9.522 3.613 157 H GLU 26 H GLU 26 -0.369 9.620 6.866 158 HA GLU 26 HA GLU 26 -0.245 6.871 7.670 159 HB2 GLU 26 1HB GLU 26 -2.264 9.070 8.033 160 HB3 GLU 26 2HB GLU 26 -2.620 7.419 8.521 161 HG2 GLU 26 1HG GLU 26 -0.528 7.499 9.916 162 HG3 GLU 26 2HG GLU 26 -0.464 9.227 9.572 163 H LEU 27 H LEU 27 -1.866 5.265 7.210 164 HA LEU 27 HA LEU 27 -3.376 5.680 4.732 165 HB2 LEU 27 1HB LEU 27 -1.652 3.268 5.273 166 HB3 LEU 27 2HB LEU 27 -2.653 3.541 3.848 167 HG LEU 27 HG LEU 27 -0.259 5.213 4.605 168 HD11 LEU 27 1HD1 LEU 27 -0.507 3.021 2.551 169 HD12 LEU 27 2HD1 LEU 27 0.406 2.931 4.056 170 HD13 LEU 27 3HD1 LEU 27 0.896 4.061 2.794 171 HD21 LEU 27 3HD2 LEU 27 -1.501 5.091 1.895 172 HD22 LEU 27 1HD2 LEU 27 -0.566 6.382 2.650 173 HD23 LEU 27 2HD2 LEU 27 -2.236 6.101 3.140 174 H ALA 28 H ALA 28 -4.985 3.927 4.357 175 HA ALA 28 HA ALA 28 -5.720 2.181 6.482 176 HB1 ALA 28 3HB ALA 28 -7.081 4.829 6.275 177 HB2 ALA 28 1HB ALA 28 -7.999 3.412 6.786 178 HB3 ALA 28 2HB ALA 28 -6.586 3.928 7.708 179 H TRP 29 H TRP 29 -6.300 0.505 5.264 180 HA TRP 29 HA TRP 29 -8.301 0.952 3.153 181 HB2 TRP 29 1HB TRP 29 -7.200 -0.742 1.761 182 HB3 TRP 29 2HB TRP 29 -6.114 0.603 2.098 183 HD1 TRP 29 HD TRP 29 -6.583 -3.116 2.791 184 HE1 TRP 29 1HE TRP 29 -4.413 -4.051 3.813 185 HE3 TRP 29 3HE TRP 29 -4.071 1.277 3.523 186 HZ2 TRP 29 2HZ TRP 29 -1.962 -3.058 4.800 187 HZ3 TRP 29 3HZ TRP 29 -1.819 1.197 4.511 188 HH2 TRP 29 HH TRP 29 -0.789 -0.926 5.136 189 H ASP 30 H ASP 30 -8.964 -1.487 2.399 190 HA ASP 30 HA ASP 30 -9.584 -2.975 4.863 191 HB2 ASP 30 1HB ASP 30 -11.412 -1.916 2.777 192 HB3 ASP 30 2HB ASP 30 -11.763 -3.528 3.394 193 HA PRO 31 HA PRO 31 -8.322 -6.651 2.833 194 HB2 PRO 31 1HB PRO 31 -10.165 -8.465 3.659 195 HB3 PRO 31 2HB PRO 31 -8.922 -7.803 4.727 196 HG2 PRO 31 1HG PRO 31 -11.798 -7.018 4.453 197 HG3 PRO 31 2HG PRO 31 -10.833 -7.232 5.924 198 HD2 PRO 31 1HD PRO 31 -11.357 -4.795 4.868 199 HD3 PRO 31 2HD PRO 31 -9.849 -5.156 5.732 200 HA PRO 32 HA PRO 32 -10.458 -7.315 -0.954 201 HB2 PRO 32 1HB PRO 32 -9.832 -9.901 -1.495 202 HB3 PRO 32 2HB PRO 32 -8.661 -8.583 -1.621 203 HG2 PRO 32 1HG PRO 32 -9.063 -10.555 0.596 204 HG3 PRO 32 2HG PRO 32 -7.550 -9.970 -0.121 205 HD2 PRO 32 1HD PRO 32 -8.513 -9.021 2.225 206 HD3 PRO 32 2HD PRO 32 -7.582 -8.014 1.097 207 H VAL 33 H VAL 33 -12.431 -7.936 -1.689 208 HA VAL 33 HA VAL 33 -14.401 -8.841 0.036 209 HB VAL 33 HB VAL 33 -15.674 -9.425 -2.115 210 HG11 VAL 33 1HG1 VAL 33 -16.450 -7.381 -1.738 211 HG12 VAL 33 2HG1 VAL 33 -14.948 -6.934 -0.928 212 HG13 VAL 33 3HG1 VAL 33 -15.110 -6.716 -2.671 213 HG21 VAL 33 3HG2 VAL 33 -14.744 -9.082 -4.169 214 HG22 VAL 33 1HG2 VAL 33 -13.609 -7.870 -3.575 215 HG23 VAL 33 2HG2 VAL 33 -13.299 -9.583 -3.291 216 H LEU 34 H LEU 34 -15.409 -10.803 0.392 217 HA LEU 34 HA LEU 34 -13.875 -13.091 0.525 218 HB2 LEU 34 1HB LEU 34 -16.020 -14.313 0.788 219 HB3 LEU 34 2HB LEU 34 -15.861 -12.898 1.826 220 HG LEU 34 HG LEU 34 -17.208 -11.763 -0.165 221 HD11 LEU 34 1HD1 LEU 34 -18.803 -14.165 -0.293 222 HD12 LEU 34 2HD1 LEU 34 -17.199 -14.421 -0.978 223 HD13 LEU 34 3HD1 LEU 34 -18.224 -13.125 -1.594 224 HD21 LEU 34 3HD2 LEU 34 -18.702 -13.492 1.779 225 HD22 LEU 34 1HD2 LEU 34 -19.112 -11.884 1.182 226 HD23 LEU 34 2HD2 LEU 34 -17.773 -12.090 2.313 227 H ALA 35 H ALA 35 -15.868 -11.920 -2.107 228 HA ALA 35 HA ALA 35 -16.024 -14.238 -3.657 229 HB1 ALA 35 3HB ALA 35 -15.949 -12.329 -5.556 230 HB2 ALA 35 1HB ALA 35 -17.373 -12.688 -4.580 231 HB3 ALA 35 2HB ALA 35 -16.316 -11.347 -4.138 232 H GLU 36 H GLU 36 -13.853 -11.493 -4.352 233 HA GLU 36 HA GLU 36 -12.182 -12.899 -6.091 234 HB2 GLU 36 1HB GLU 36 -11.525 -10.498 -4.375 235 HB3 GLU 36 2HB GLU 36 -10.571 -11.059 -5.740 236 HG2 GLU 36 1HG GLU 36 -12.830 -10.786 -7.036 237 HG3 GLU 36 2HG GLU 36 -13.213 -9.694 -5.706 238 H ARG 37 H ARG 37 -11.955 -12.381 -2.604 239 HA ARG 37 HA ARG 37 -9.503 -13.168 -1.897 240 HB2 ARG 37 1HB ARG 37 -12.175 -13.767 -0.737 241 HB3 ARG 37 2HB ARG 37 -10.800 -14.652 -0.092 242 HG2 ARG 37 1HG ARG 37 -9.691 -12.566 0.468 243 HG3 ARG 37 2HG ARG 37 -11.030 -11.653 -0.231 244 HD2 ARG 37 1HD ARG 37 -12.434 -12.115 1.510 245 HD3 ARG 37 2HD ARG 37 -11.662 -13.659 1.865 246 HE ARG 37 HE ARG 37 -9.928 -11.481 2.437 247 HH11 ARG 37 1HH1 ARG 37 -12.685 -13.228 3.648 248 HH12 ARG 37 2HH1 ARG 37 -12.366 -12.841 5.306 249 HH21 ARG 37 1HH2 ARG 37 -9.498 -10.965 4.617 250 HH22 ARG 37 2HH2 ARG 37 -10.553 -11.553 5.856 251 H ASN 38 H ASN 38 -8.336 -14.564 -3.113 252 HA ASN 38 HA ASN 38 -9.431 -17.150 -3.850 253 HB2 ASN 38 1HB ASN 38 -7.814 -15.559 -5.224 254 HB3 ASN 38 2HB ASN 38 -6.572 -16.433 -4.333 255 HD21 ASN 38 1HD2 ASN 38 -6.872 -16.511 -7.113 256 HD22 ASN 38 2HD2 ASN 38 -7.299 -18.122 -7.569 257 H GLY 39 H GLY 39 -8.548 -16.174 -1.023 258 HA2 GLY 39 1HA GLY 39 -8.018 -18.584 0.149 259 HA3 GLY 39 2HA GLY 39 -6.432 -17.982 -0.308 260 H ARG 40 H ARG 40 -6.131 -18.124 2.073 261 HA ARG 40 HA ARG 40 -7.455 -16.089 3.655 262 HB2 ARG 40 1HB ARG 40 -5.503 -18.286 4.225 263 HB3 ARG 40 2HB ARG 40 -5.699 -16.980 5.387 264 HG2 ARG 40 1HG ARG 40 -7.230 -18.428 6.216 265 HG3 ARG 40 2HG ARG 40 -8.259 -17.577 5.062 266 HD2 ARG 40 1HD ARG 40 -7.645 -19.370 3.389 267 HD3 ARG 40 2HD ARG 40 -6.925 -20.255 4.734 268 HE ARG 40 HE ARG 40 -9.680 -19.450 5.109 269 HH11 ARG 40 1HH1 ARG 40 -7.482 -21.936 4.056 270 HH12 ARG 40 2HH1 ARG 40 -8.633 -23.217 4.247 271 HH21 ARG 40 1HH2 ARG 40 -11.204 -21.128 5.364 272 HH22 ARG 40 2HH2 ARG 40 -10.750 -22.756 4.990 273 H ILE 41 H ILE 41 -6.365 -14.386 4.738 274 HA ILE 41 HA ILE 41 -4.072 -13.371 3.225 275 HB ILE 41 HB ILE 41 -5.666 -11.826 5.256 276 HG12 ILE 41 1HG1 ILE 41 -7.340 -12.515 3.737 277 HG13 ILE 41 2HG1 ILE 41 -6.869 -10.909 3.190 278 HG21 ILE 41 1HG2 ILE 41 -3.536 -11.245 3.329 279 HG22 ILE 41 2HG2 ILE 41 -4.869 -10.093 3.320 280 HG23 ILE 41 3HG2 ILE 41 -3.985 -10.406 4.813 281 HD11 ILE 41 3HD1 ILE 41 -5.841 -13.481 2.018 282 HD12 ILE 41 1HD1 ILE 41 -7.173 -12.532 1.359 283 HD13 ILE 41 2HD1 ILE 41 -5.549 -11.848 1.420 284 H ILE 42 H ILE 42 -2.182 -12.673 4.211 285 HA ILE 42 HA ILE 42 -1.839 -13.482 7.025 286 HB ILE 42 HB ILE 42 0.577 -13.922 6.405 287 HG12 ILE 42 1HG1 ILE 42 -0.540 -14.052 3.599 288 HG13 ILE 42 2HG1 ILE 42 0.417 -12.705 4.206 289 HG21 ILE 42 1HG2 ILE 42 -1.692 -15.610 5.404 290 HG22 ILE 42 2HG2 ILE 42 -0.017 -16.153 5.305 291 HG23 ILE 42 3HG2 ILE 42 -0.738 -15.799 6.875 292 HD11 ILE 42 3HD1 ILE 42 2.241 -14.355 4.687 293 HD12 ILE 42 1HD1 ILE 42 1.288 -15.550 3.808 294 HD13 ILE 42 2HD1 ILE 42 1.872 -14.105 2.981 295 H SER 43 H SER 43 -0.959 -11.234 4.471 296 HA SER 43 HA SER 43 -0.705 -9.051 6.230 297 HB2 SER 43 1HB SER 43 1.784 -10.552 5.587 298 HB3 SER 43 2HB SER 43 1.873 -8.791 5.555 299 HG SER 43 HG SER 43 1.617 -8.727 7.660 300 H TYR 44 H TYR 44 0.180 -7.093 5.094 301 HA TYR 44 HA TYR 44 -0.255 -7.308 2.187 302 HB2 TYR 44 1HB TYR 44 -1.090 -5.072 4.045 303 HB3 TYR 44 2HB TYR 44 -1.218 -5.016 2.290 304 HD1 TYR 44 2HD TYR 44 -2.220 -7.262 5.111 305 HD2 TYR 44 1HD TYR 44 -3.272 -5.517 1.376 306 HE1 TYR 44 2HE TYR 44 -4.435 -8.323 5.245 307 HE2 TYR 44 1HE TYR 44 -5.490 -6.572 1.500 308 HH TYR 44 HH TYR 44 -6.502 -8.388 4.356 309 H THR 45 H THR 45 0.838 -5.714 0.878 310 HA THR 45 HA THR 45 3.313 -4.725 2.140 311 HB THR 45 HB THR 45 2.923 -5.661 -0.710 312 HG1 THR 45 1HG THR 45 3.119 -7.270 1.058 313 HG21 THR 45 3HG2 THR 45 4.515 -3.794 -0.536 314 HG22 THR 45 1HG2 THR 45 5.321 -5.303 -0.965 315 HG23 THR 45 2HG2 THR 45 5.420 -4.689 0.686 316 H VAL 46 H VAL 46 3.122 -2.595 2.418 317 HA VAL 46 HA VAL 46 1.575 -0.974 0.577 318 HB VAL 46 HB VAL 46 3.097 -0.246 3.081 319 HG11 VAL 46 1HG1 VAL 46 1.691 1.899 2.830 320 HG12 VAL 46 2HG1 VAL 46 3.146 1.728 1.845 321 HG13 VAL 46 3HG1 VAL 46 1.558 1.435 1.134 322 HG21 VAL 46 3HG2 VAL 46 0.189 -0.704 2.471 323 HG22 VAL 46 1HG2 VAL 46 1.196 -1.497 3.682 324 HG23 VAL 46 2HG2 VAL 46 0.726 0.189 3.894 325 H VAL 47 H VAL 47 2.576 -0.609 -1.319 326 HA VAL 47 HA VAL 47 5.425 0.036 -1.356 327 HB VAL 47 HB VAL 47 3.645 -0.141 -3.774 328 HG11 VAL 47 1HG1 VAL 47 5.548 0.320 -4.821 329 HG12 VAL 47 2HG1 VAL 47 6.438 0.288 -3.298 330 HG13 VAL 47 3HG1 VAL 47 6.211 -1.199 -4.219 331 HG21 VAL 47 3HG2 VAL 47 3.207 -2.258 -3.145 332 HG22 VAL 47 1HG2 VAL 47 4.852 -2.566 -3.700 333 HG23 VAL 47 2HG2 VAL 47 4.536 -2.299 -1.986 334 H PHE 48 H PHE 48 5.938 2.095 -1.023 335 HA PHE 48 HA PHE 48 4.255 4.172 -2.263 336 HB2 PHE 48 1HB PHE 48 4.989 5.682 -0.442 337 HB3 PHE 48 2HB PHE 48 4.093 4.291 0.160 338 HD1 PHE 48 2HD PHE 48 5.553 2.253 0.898 339 HD2 PHE 48 1HD PHE 48 6.987 6.245 0.548 340 HE1 PHE 48 2HE PHE 48 7.409 1.716 2.421 341 HE2 PHE 48 1HE PHE 48 8.846 5.715 2.070 342 HZ PHE 48 HZ PHE 48 9.058 3.448 3.010 343 H ARG 49 H ARG 49 5.211 5.558 -3.625 344 HA ARG 49 HA ARG 49 8.080 5.992 -3.535 345 HB2 ARG 49 1HB ARG 49 8.074 4.081 -4.951 346 HB3 ARG 49 2HB ARG 49 6.689 4.672 -5.860 347 HG2 ARG 49 1HG ARG 49 8.276 6.646 -6.464 348 HG3 ARG 49 2HG ARG 49 9.546 5.510 -6.005 349 HD2 ARG 49 1HD ARG 49 8.999 5.497 -8.434 350 HD3 ARG 49 2HD ARG 49 8.818 3.930 -7.647 351 HE ARG 49 HE ARG 49 6.353 5.307 -7.644 352 HH11 ARG 49 1HH1 ARG 49 8.531 3.621 -9.774 353 HH12 ARG 49 2HH1 ARG 49 7.284 3.128 -10.871 354 HH21 ARG 49 1HH2 ARG 49 4.703 4.664 -9.082 355 HH22 ARG 49 2HH2 ARG 49 5.107 3.723 -10.477 356 H ASP 50 H ASP 50 8.708 7.927 -4.430 357 HA ASP 50 HA ASP 50 6.627 9.859 -4.851 358 HB2 ASP 50 1HB ASP 50 8.532 10.640 -3.669 359 HB3 ASP 50 2HB ASP 50 9.638 10.013 -4.889 360 H ILE 51 H ILE 51 5.550 9.797 -6.724 361 HA ILE 51 HA ILE 51 6.384 8.773 -9.145 362 HB ILE 51 HB ILE 51 4.625 10.115 -10.204 363 HG12 ILE 51 1HG1 ILE 51 4.154 11.392 -7.512 364 HG13 ILE 51 2HG1 ILE 51 5.127 12.162 -8.761 365 HG21 ILE 51 1HG2 ILE 51 3.977 8.083 -9.079 366 HG22 ILE 51 2HG2 ILE 51 3.871 8.931 -7.537 367 HG23 ILE 51 3HG2 ILE 51 2.733 9.308 -8.831 368 HD11 ILE 51 3HD1 ILE 51 3.254 12.290 -10.232 369 HD12 ILE 51 1HD1 ILE 51 2.268 11.316 -9.142 370 HD13 ILE 51 2HD1 ILE 51 2.773 12.937 -8.664 371 H ASN 52 H ASN 52 7.417 11.630 -7.615 372 HA ASN 52 HA ASN 52 8.274 12.922 -10.076 373 HB2 ASN 52 1HB ASN 52 8.620 13.723 -7.178 374 HB3 ASN 52 2HB ASN 52 9.124 14.696 -8.557 375 HD21 ASN 52 1HD2 ASN 52 6.403 13.402 -6.804 376 HD22 ASN 52 2HD2 ASN 52 5.219 14.474 -7.461 377 H SER 53 H SER 53 9.556 10.936 -7.541 378 HA SER 53 HA SER 53 12.274 11.295 -8.615 379 HB2 SER 53 1HB SER 53 11.223 10.719 -5.890 380 HB3 SER 53 2HB SER 53 12.753 9.968 -6.341 381 HG SER 53 HG SER 53 13.691 11.896 -6.456 382 H GLN 54 H GLN 54 13.621 9.176 -8.163 383 HA GLN 54 HA GLN 54 12.078 6.954 -9.325 384 HB2 GLN 54 1HB GLN 54 14.932 7.826 -9.680 385 HB3 GLN 54 2HB GLN 54 14.438 6.178 -10.046 386 HG2 GLN 54 1HG GLN 54 12.841 6.992 -11.678 387 HG3 GLN 54 2HG GLN 54 13.262 8.657 -11.282 388 HE21 GLN 54 1HE2 GLN 54 13.411 7.608 -13.856 389 HE22 GLN 54 2HE2 GLN 54 15.068 7.570 -14.344 390 H GLN 55 H GLN 55 12.565 7.694 -6.443 391 HA GLN 55 HA GLN 55 14.098 5.367 -5.544 392 HB2 GLN 55 1HB GLN 55 14.698 7.471 -4.498 393 HB3 GLN 55 2HB GLN 55 13.025 7.754 -4.032 394 HG2 GLN 55 1HG GLN 55 14.212 7.021 -2.109 395 HG3 GLN 55 2HG GLN 55 13.140 5.716 -2.615 396 HE21 GLN 55 1HE2 GLN 55 14.044 3.889 -3.648 397 HE22 GLN 55 2HE2 GLN 55 15.708 3.478 -3.433 398 H GLU 56 H GLU 56 12.809 3.607 -5.668 399 HA GLU 56 HA GLU 56 10.039 3.738 -4.814 400 HB2 GLU 56 1HB GLU 56 10.616 2.410 -6.786 401 HB3 GLU 56 2HB GLU 56 11.697 1.418 -5.818 402 HG2 GLU 56 1HG GLU 56 8.859 1.608 -4.978 403 HG3 GLU 56 2HG GLU 56 9.244 0.651 -6.408 404 H LEU 57 H LEU 57 9.157 2.643 -3.066 405 HA LEU 57 HA LEU 57 10.926 1.224 -1.244 406 HB2 LEU 57 1HB LEU 57 9.301 3.581 -0.309 407 HB3 LEU 57 2HB LEU 57 10.369 2.575 0.667 408 HG LEU 57 HG LEU 57 11.450 4.170 -1.628 409 HD11 LEU 57 1HD1 LEU 57 10.097 5.331 0.508 410 HD12 LEU 57 2HD1 LEU 57 11.221 6.123 -0.597 411 HD13 LEU 57 3HD1 LEU 57 11.805 5.457 0.928 412 HD21 LEU 57 3HD2 LEU 57 13.252 4.152 0.438 413 HD22 LEU 57 1HD2 LEU 57 13.255 3.049 -0.937 414 HD23 LEU 57 2HD2 LEU 57 12.489 2.568 0.577 415 H GLN 58 H GLN 58 9.821 -0.058 0.301 416 HA GLN 58 HA GLN 58 6.911 -0.198 0.075 417 HB2 GLN 58 1HB GLN 58 8.776 -2.518 -0.438 418 HB3 GLN 58 2HB GLN 58 7.049 -2.692 -0.156 419 HG2 GLN 58 1HG GLN 58 6.484 -1.756 -2.180 420 HG3 GLN 58 2HG GLN 58 8.010 -0.886 -2.323 421 HE21 GLN 58 1HE2 GLN 58 9.939 -2.584 -2.202 422 HE22 GLN 58 2HE2 GLN 58 9.798 -3.864 -3.354 423 H ASN 59 H ASN 59 5.913 -1.476 1.777 424 HA ASN 59 HA ASN 59 7.637 -1.982 4.095 425 HB2 ASN 59 1HB ASN 59 5.251 -0.159 3.978 426 HB3 ASN 59 2HB ASN 59 5.690 -0.961 5.484 427 HD21 ASN 59 1HD2 ASN 59 8.379 -0.891 5.478 428 HD22 ASN 59 2HD2 ASN 59 8.944 0.742 5.496 429 H ILE 60 H ILE 60 6.284 -3.077 5.887 430 HA ILE 60 HA ILE 60 4.177 -4.785 4.792 431 HB ILE 60 HB ILE 60 6.569 -5.922 6.243 432 HG12 ILE 60 1HG1 ILE 60 5.795 -6.245 3.337 433 HG13 ILE 60 2HG1 ILE 60 7.057 -5.160 3.911 434 HG21 ILE 60 1HG2 ILE 60 5.574 -7.999 6.111 435 HG22 ILE 60 2HG2 ILE 60 4.187 -6.956 6.425 436 HG23 ILE 60 3HG2 ILE 60 4.512 -7.522 4.786 437 HD11 ILE 60 3HD1 ILE 60 8.318 -7.045 4.761 438 HD12 ILE 60 1HD1 ILE 60 7.039 -8.149 4.256 439 HD13 ILE 60 2HD1 ILE 60 7.962 -7.255 3.047 440 H THR 61 H THR 61 2.587 -5.189 6.212 441 HA THR 61 HA THR 61 3.073 -5.017 9.073 442 HB THR 61 HB THR 61 2.569 -2.708 8.596 443 HG1 THR 61 1HG THR 61 1.487 -3.856 10.416 444 HG21 THR 61 3HG2 THR 61 -0.116 -2.790 7.704 445 HG22 THR 61 1HG2 THR 61 0.824 -3.827 6.632 446 HG23 THR 61 2HG2 THR 61 1.292 -2.142 6.862 447 H THR 62 H THR 62 1.578 -6.126 10.307 448 HA THR 62 HA THR 62 -0.037 -8.040 8.870 449 HB THR 62 HB THR 62 -0.620 -8.771 11.288 450 HG1 THR 62 1HG THR 62 1.738 -7.321 11.898 451 HG21 THR 62 3HG2 THR 62 2.187 -9.260 11.230 452 HG22 THR 62 1HG2 THR 62 1.581 -9.286 9.575 453 HG23 THR 62 2HG2 THR 62 0.871 -10.348 10.791 454 H ASP 63 H ASP 63 -0.715 -5.064 9.105 455 HA ASP 63 HA ASP 63 -3.504 -5.463 9.965 456 HB2 ASP 63 1HB ASP 63 -1.599 -3.260 10.621 457 HB3 ASP 63 2HB ASP 63 -3.299 -2.854 10.403 458 H THR 64 H THR 64 -5.043 -3.962 8.935 459 HA THR 64 HA THR 64 -4.527 -3.816 6.103 460 HB THR 64 HB THR 64 -6.910 -2.702 6.198 461 HG1 THR 64 1HG THR 64 -6.855 -2.487 8.517 462 HG21 THR 64 3HG2 THR 64 -7.847 -4.792 5.829 463 HG22 THR 64 1HG2 THR 64 -6.831 -5.575 7.039 464 HG23 THR 64 2HG2 THR 64 -6.141 -5.086 5.491 465 H ARG 65 H ARG 65 -3.245 -1.969 8.223 466 HA ARG 65 HA ARG 65 -3.591 0.475 6.647 467 HB2 ARG 65 1HB ARG 65 -3.759 1.871 8.601 468 HB3 ARG 65 2HB ARG 65 -5.016 0.643 8.683 469 HG2 ARG 65 1HG ARG 65 -4.266 0.531 10.818 470 HG3 ARG 65 2HG ARG 65 -3.159 -0.629 10.081 471 HD2 ARG 65 1HD ARG 65 -1.514 1.209 9.794 472 HD3 ARG 65 2HD ARG 65 -2.611 2.277 10.669 473 HE ARG 65 HE ARG 65 -0.884 0.283 11.788 474 HH11 ARG 65 1HH1 ARG 65 -3.846 2.054 12.243 475 HH12 ARG 65 2HH1 ARG 65 -3.836 1.883 13.967 476 HH21 ARG 65 1HH2 ARG 65 -0.859 0.052 14.057 477 HH22 ARG 65 2HH2 ARG 65 -2.136 0.745 14.998 478 H PHE 66 H PHE 66 -1.862 2.132 7.314 479 HA PHE 66 HA PHE 66 0.533 1.233 8.529 480 HB2 PHE 66 1HB PHE 66 0.587 -0.085 6.393 481 HB3 PHE 66 2HB PHE 66 0.652 1.440 5.516 482 HD1 PHE 66 1HD PHE 66 2.472 -0.808 7.776 483 HD2 PHE 66 2HD PHE 66 2.660 2.730 5.417 484 HE1 PHE 66 1HE PHE 66 4.922 -0.788 8.007 485 HE2 PHE 66 2HE PHE 66 5.110 2.755 5.644 486 HZ PHE 66 HZ PHE 66 6.244 0.994 6.939 487 H THR 67 H THR 67 2.360 2.807 8.126 488 HA THR 67 HA THR 67 1.415 5.456 7.299 489 HB THR 67 HB THR 67 2.830 4.963 9.926 490 HG1 THR 67 1HG THR 67 0.731 5.782 10.730 491 HG21 THR 67 3HG2 THR 67 1.565 7.522 9.673 492 HG22 THR 67 1HG2 THR 67 2.657 7.269 8.313 493 HG23 THR 67 2HG2 THR 67 3.263 7.148 9.965 494 H LEU 68 H LEU 68 2.792 6.159 5.815 495 HA LEU 68 HA LEU 68 5.398 5.073 5.472 496 HB2 LEU 68 1HB LEU 68 4.044 7.469 4.250 497 HB3 LEU 68 2HB LEU 68 5.634 6.884 3.763 498 HG LEU 68 HG LEU 68 4.401 5.875 2.155 499 HD11 LEU 68 1HD1 LEU 68 3.883 3.937 4.403 500 HD12 LEU 68 2HD1 LEU 68 5.410 4.088 3.535 501 HD13 LEU 68 3HD1 LEU 68 3.958 3.570 2.680 502 HD21 LEU 68 3HD2 LEU 68 2.043 5.279 3.886 503 HD22 LEU 68 1HD2 LEU 68 2.119 5.577 2.149 504 HD23 LEU 68 2HD2 LEU 68 2.290 6.918 3.281 505 H THR 69 H THR 69 7.320 6.622 5.191 506 HA THR 69 HA THR 69 7.389 8.873 6.998 507 HB THR 69 HB THR 69 9.170 8.021 8.431 508 HG1 THR 69 1HG THR 69 9.604 6.289 6.621 509 HG21 THR 69 3HG2 THR 69 6.738 7.691 9.022 510 HG22 THR 69 1HG2 THR 69 7.866 6.599 9.823 511 HG23 THR 69 2HG2 THR 69 6.908 6.029 8.456 512 H GLY 70 H GLY 70 9.643 9.833 7.079 513 HA2 GLY 70 1HA GLY 70 11.408 10.753 5.937 514 HA3 GLY 70 2HA GLY 70 11.672 9.138 5.297 515 H LEU 71 H LEU 71 8.936 11.349 4.822 516 HA LEU 71 HA LEU 71 9.479 11.230 1.929 517 HB2 LEU 71 1HB LEU 71 6.815 11.942 3.089 518 HB3 LEU 71 2HB LEU 71 7.197 11.294 1.495 519 HG LEU 71 HG LEU 71 7.510 9.672 4.009 520 HD11 LEU 71 1HD1 LEU 71 5.320 9.375 4.177 521 HD12 LEU 71 2HD1 LEU 71 5.206 8.947 2.471 522 HD13 LEU 71 3HD1 LEU 71 5.087 10.635 2.965 523 HD21 LEU 71 3HD2 LEU 71 7.659 9.183 1.084 524 HD22 LEU 71 1HD2 LEU 71 6.987 7.910 2.102 525 HD23 LEU 71 2HD2 LEU 71 8.621 8.505 2.398 526 H LYS 72 H LYS 72 8.872 13.137 0.675 527 HA LYS 72 HA LYS 72 9.650 15.567 2.075 528 HB2 LYS 72 1HB LYS 72 10.572 14.761 -0.202 529 HB3 LYS 72 2HB LYS 72 9.060 15.365 -0.866 530 HG2 LYS 72 1HG LYS 72 9.553 17.589 -0.140 531 HG3 LYS 72 2HG LYS 72 10.971 17.034 0.753 532 HD2 LYS 72 1HD LYS 72 11.936 17.841 -1.178 533 HD3 LYS 72 2HD LYS 72 11.726 16.136 -1.584 534 HE2 LYS 72 1HE LYS 72 9.515 18.018 -2.223 535 HE3 LYS 72 2HE LYS 72 10.964 18.070 -3.224 536 HZ1 LYS 72 3HZ LYS 72 9.001 16.486 -3.816 537 HZ2 LYS 72 1HZ LYS 72 9.719 15.471 -2.669 538 HZ3 LYS 72 2HZ LYS 72 10.600 15.974 -4.022 539 HA PRO 73 HA PRO 73 5.528 17.099 2.422 540 HB2 PRO 73 1HB PRO 73 6.114 19.727 2.769 541 HB3 PRO 73 2HB PRO 73 6.358 18.513 4.031 542 HG2 PRO 73 1HG PRO 73 8.349 19.708 2.141 543 HG3 PRO 73 2HG PRO 73 8.512 19.375 3.876 544 HD2 PRO 73 1HD PRO 73 9.550 17.748 1.976 545 HD3 PRO 73 2HD PRO 73 8.954 17.139 3.534 546 H ASP 74 H ASP 74 3.969 18.054 1.166 547 HA ASP 74 HA ASP 74 2.973 18.829 -0.728 548 HB2 ASP 74 1HB ASP 74 3.957 20.952 -0.035 549 HB3 ASP 74 2HB ASP 74 5.467 20.538 -0.843 550 H THR 75 H THR 75 4.252 16.432 -1.064 551 HA THR 75 HA THR 75 5.019 16.593 -3.884 552 HB THR 75 HB THR 75 6.651 15.249 -1.733 553 HG1 THR 75 1HG THR 75 7.598 17.138 -2.084 554 HG21 THR 75 3HG2 THR 75 6.928 14.867 -4.716 555 HG22 THR 75 1HG2 THR 75 6.250 13.673 -3.610 556 HG23 THR 75 2HG2 THR 75 7.940 14.154 -3.460 557 H THR 76 H THR 76 3.990 15.122 -5.074 558 HA THR 76 HA THR 76 2.094 13.363 -3.956 559 HB THR 76 HB THR 76 3.262 13.237 -6.742 560 HG1 THR 76 1HG THR 76 2.307 15.109 -6.959 561 HG21 THR 76 3HG2 THR 76 1.561 11.473 -5.521 562 HG22 THR 76 1HG2 THR 76 1.664 11.743 -7.260 563 HG23 THR 76 2HG2 THR 76 0.440 12.583 -6.308 564 H TYR 77 H TYR 77 2.221 11.309 -3.291 565 HA TYR 77 HA TYR 77 4.671 9.796 -3.910 566 HB2 TYR 77 1HB TYR 77 3.345 10.314 -1.293 567 HB3 TYR 77 2HB TYR 77 4.059 8.725 -1.547 568 HD1 TYR 77 1HD TYR 77 6.479 8.484 -1.853 569 HD2 TYR 77 2HD TYR 77 4.723 12.278 -1.064 570 HE1 TYR 77 1HE TYR 77 8.695 9.384 -1.281 571 HE2 TYR 77 2HE TYR 77 6.934 13.189 -0.491 572 HH TYR 77 HH TYR 77 9.724 11.909 -1.324 573 H ASP 78 H ASP 78 4.069 8.243 -5.272 574 HA ASP 78 HA ASP 78 1.458 7.171 -5.441 575 HB2 ASP 78 1HB ASP 78 2.858 7.116 -7.388 576 HB3 ASP 78 2HB ASP 78 4.104 6.208 -6.536 577 H ILE 79 H ILE 79 0.701 6.261 -3.590 578 HA ILE 79 HA ILE 79 2.269 4.055 -2.428 579 HB ILE 79 HB ILE 79 0.016 5.580 -1.120 580 HG12 ILE 79 1HG1 ILE 79 2.852 5.824 -0.230 581 HG13 ILE 79 2HG1 ILE 79 2.357 6.722 -1.661 582 HG21 ILE 79 1HG2 ILE 79 0.536 3.183 -0.420 583 HG22 ILE 79 2HG2 ILE 79 2.052 3.823 0.211 584 HG23 ILE 79 3HG2 ILE 79 0.516 4.408 0.849 585 HD11 ILE 79 3HD1 ILE 79 2.214 7.743 0.771 586 HD12 ILE 79 1HD1 ILE 79 1.038 8.138 -0.482 587 HD13 ILE 79 2HD1 ILE 79 0.648 6.934 0.747 588 H LYS 80 H LYS 80 1.500 2.044 -2.539 589 HA LYS 80 HA LYS 80 -1.350 1.643 -3.133 590 HB2 LYS 80 1HB LYS 80 -0.454 -0.364 -4.561 591 HB3 LYS 80 2HB LYS 80 -0.531 1.251 -5.254 592 HG2 LYS 80 1HG LYS 80 1.942 1.352 -4.276 593 HG3 LYS 80 2HG LYS 80 1.815 -0.392 -4.517 594 HD2 LYS 80 1HD LYS 80 0.981 1.466 -6.704 595 HD3 LYS 80 2HD LYS 80 2.696 1.144 -6.441 596 HE2 LYS 80 1HE LYS 80 2.002 -1.340 -6.476 597 HE3 LYS 80 2HE LYS 80 0.513 -0.758 -7.219 598 HZ1 LYS 80 3HZ LYS 80 1.543 -0.566 -9.155 599 HZ2 LYS 80 1HZ LYS 80 2.916 -1.286 -8.477 600 HZ3 LYS 80 2HZ LYS 80 2.762 0.398 -8.488 601 H VAL 81 H VAL 81 -1.618 -0.983 -3.122 602 HA VAL 81 HA VAL 81 -0.137 -2.184 -0.937 603 HB VAL 81 HB VAL 81 -2.232 -0.787 -0.099 604 HG11 VAL 81 1HG1 VAL 81 -4.270 -1.916 -0.066 605 HG12 VAL 81 2HG1 VAL 81 -3.683 -2.174 -1.710 606 HG13 VAL 81 3HG1 VAL 81 -3.534 -3.456 -0.508 607 HG21 VAL 81 3HG2 VAL 81 -2.108 -3.476 1.129 608 HG22 VAL 81 1HG2 VAL 81 -0.592 -2.581 1.019 609 HG23 VAL 81 2HG2 VAL 81 -1.969 -1.881 1.871 610 H ARG 82 H ARG 82 -0.853 -4.458 -0.545 611 HA ARG 82 HA ARG 82 -2.452 -5.738 -2.561 612 HB2 ARG 82 1HB ARG 82 -0.774 -7.007 -3.646 613 HB3 ARG 82 2HB ARG 82 -0.195 -5.347 -3.654 614 HG2 ARG 82 1HG ARG 82 1.462 -5.773 -2.109 615 HG3 ARG 82 2HG ARG 82 0.637 -7.194 -1.464 616 HD2 ARG 82 1HD ARG 82 2.270 -8.224 -2.679 617 HD3 ARG 82 2HD ARG 82 1.025 -8.089 -3.920 618 HE ARG 82 HE ARG 82 2.387 -5.827 -4.295 619 HH11 ARG 82 1HH1 ARG 82 3.475 -9.104 -3.852 620 HH12 ARG 82 2HH1 ARG 82 4.904 -8.898 -4.811 621 HH21 ARG 82 1HH2 ARG 82 4.264 -5.543 -5.559 622 HH22 ARG 82 2HH2 ARG 82 5.352 -6.871 -5.781 623 H ALA 83 H ALA 83 -3.089 -7.790 -1.972 624 HA ALA 83 HA ALA 83 -2.543 -8.513 0.789 625 HB1 ALA 83 3HB ALA 83 -4.486 -9.741 0.746 626 HB2 ALA 83 1HB ALA 83 -4.848 -8.491 -0.445 627 HB3 ALA 83 2HB ALA 83 -4.351 -10.098 -0.976 628 H TRP 84 H TRP 84 -1.615 -10.415 1.472 629 HA TRP 84 HA TRP 84 -0.308 -12.030 -0.619 630 HB2 TRP 84 1HB TRP 84 0.691 -11.227 2.116 631 HB3 TRP 84 2HB TRP 84 1.445 -12.493 1.150 632 HD1 TRP 84 HD TRP 84 0.505 -8.750 0.656 633 HE1 TRP 84 1HE TRP 84 2.392 -7.640 -0.698 634 HE3 TRP 84 3HE TRP 84 3.475 -12.841 -0.101 635 HZ2 TRP 84 2HZ TRP 84 4.818 -8.399 -1.925 636 HZ3 TRP 84 3HZ TRP 84 5.562 -12.564 -1.375 637 HH2 TRP 84 HH TRP 84 6.217 -10.388 -2.268 638 H THR 85 H THR 85 -0.229 -14.259 -0.356 639 HA THR 85 HA THR 85 -1.967 -15.336 1.770 640 HB THR 85 HB THR 85 -2.388 -17.241 0.111 641 HG1 THR 85 1HG THR 85 -1.003 -16.924 -1.533 642 HG21 THR 85 3HG2 THR 85 -3.584 -14.632 0.346 643 HG22 THR 85 1HG2 THR 85 -4.357 -16.195 0.089 644 HG23 THR 85 2HG2 THR 85 -3.785 -15.257 -1.290 645 H SER 86 H SER 86 -1.510 -17.577 2.395 646 HA SER 86 HA SER 86 1.050 -17.995 3.267 647 HB2 SER 86 1HB SER 86 0.432 -20.327 3.645 648 HB3 SER 86 2HB SER 86 -0.926 -19.274 4.044 649 HG SER 86 HG SER 86 -0.586 -20.977 1.828 650 H LYS 87 H LYS 87 -0.176 -18.433 0.091 651 HA LYS 87 HA LYS 87 1.955 -20.190 -0.772 652 HB2 LYS 87 1HB LYS 87 -0.292 -18.795 -2.221 653 HB3 LYS 87 2HB LYS 87 0.938 -19.729 -3.062 654 HG2 LYS 87 1HG LYS 87 -0.638 -21.339 -2.831 655 HG3 LYS 87 2HG LYS 87 0.213 -21.571 -1.302 656 HD2 LYS 87 1HD LYS 87 -1.436 -20.374 -0.096 657 HD3 LYS 87 2HD LYS 87 -2.171 -19.754 -1.576 658 HE2 LYS 87 1HE LYS 87 -2.080 -22.671 -0.825 659 HE3 LYS 87 2HE LYS 87 -3.442 -21.606 -0.482 660 HZ1 LYS 87 3HZ LYS 87 -3.554 -21.167 -2.913 661 HZ2 LYS 87 1HZ LYS 87 -3.904 -22.766 -2.484 662 HZ3 LYS 87 2HZ LYS 87 -2.397 -22.380 -3.148 663 H GLY 88 H GLY 88 0.898 -16.925 -1.773 664 HA2 GLY 88 1HA GLY 88 3.588 -15.919 -1.683 665 HA3 GLY 88 2HA GLY 88 3.026 -16.195 -3.325 666 H SER 89 H SER 89 2.625 -14.249 -4.159 667 HA SER 89 HA SER 89 0.929 -12.413 -2.596 668 HB2 SER 89 1HB SER 89 2.055 -10.543 -3.761 669 HB3 SER 89 2HB SER 89 3.187 -11.502 -2.808 670 HG SER 89 HG SER 89 2.816 -12.233 -5.470 671 H GLY 90 H GLY 90 -0.114 -10.725 -4.149 672 HA2 GLY 90 1HA GLY 90 -1.059 -12.128 -6.570 673 HA3 GLY 90 2HA GLY 90 -2.180 -11.337 -5.472 674 HA PRO 91 HA PRO 91 -1.468 -8.208 -8.689 675 HB2 PRO 91 1HB PRO 91 -3.856 -6.975 -8.308 676 HB3 PRO 91 2HB PRO 91 -3.672 -8.425 -9.302 677 HG2 PRO 91 1HG PRO 91 -4.619 -8.176 -6.473 678 HG3 PRO 91 2HG PRO 91 -5.270 -9.172 -7.787 679 HD2 PRO 91 1HD PRO 91 -3.669 -10.180 -5.850 680 HD3 PRO 91 2HD PRO 91 -3.667 -10.806 -7.512 681 H LEU 92 H LEU 92 -1.707 -5.767 -8.561 682 HA LEU 92 HA LEU 92 -1.043 -4.857 -5.838 683 HB2 LEU 92 1HB LEU 92 0.155 -4.293 -8.487 684 HB3 LEU 92 2HB LEU 92 0.060 -2.948 -7.351 685 HG LEU 92 HG LEU 92 1.313 -5.556 -6.558 686 HD11 LEU 92 1HD1 LEU 92 2.776 -3.247 -7.819 687 HD12 LEU 92 2HD1 LEU 92 2.361 -4.736 -8.667 688 HD13 LEU 92 3HD1 LEU 92 3.452 -4.785 -7.282 689 HD21 LEU 92 3HD2 LEU 92 1.101 -2.817 -5.486 690 HD22 LEU 92 1HD2 LEU 92 2.672 -3.599 -5.314 691 HD23 LEU 92 2HD2 LEU 92 1.230 -4.362 -4.644 692 H SER 93 H SER 93 -2.387 -3.434 -4.965 693 HA SER 93 HA SER 93 -4.700 -2.504 -6.221 694 HB2 SER 93 1HB SER 93 -5.185 -1.416 -4.228 695 HB3 SER 93 2HB SER 93 -4.039 -2.640 -3.682 696 HG SER 93 HG SER 93 -3.423 0.059 -4.315 697 HA PRO 94 HA PRO 94 -3.521 1.039 -8.525 698 HB2 PRO 94 1HB PRO 94 -5.690 2.638 -8.192 699 HB3 PRO 94 2HB PRO 94 -5.713 1.185 -9.199 700 HG2 PRO 94 1HG PRO 94 -6.687 1.562 -6.393 701 HG3 PRO 94 2HG PRO 94 -7.453 0.693 -7.736 702 HD2 PRO 94 1HD PRO 94 -6.090 -0.574 -5.769 703 HD3 PRO 94 2HD PRO 94 -6.142 -1.179 -7.437 704 H SER 95 H SER 95 -1.936 2.341 -7.850 705 HA SER 95 HA SER 95 -1.534 3.378 -5.337 706 HB2 SER 95 1HB SER 95 -0.307 5.278 -6.791 707 HB3 SER 95 2HB SER 95 0.353 3.654 -6.598 708 HG SER 95 HG SER 95 -1.255 4.565 -8.754 709 H ILE 96 H ILE 96 -1.904 5.372 -4.343 710 HA ILE 96 HA ILE 96 -4.253 6.798 -5.372 711 HB ILE 96 HB ILE 96 -4.218 7.795 -2.986 712 HG12 ILE 96 1HG1 ILE 96 -2.607 5.285 -2.488 713 HG13 ILE 96 2HG1 ILE 96 -1.919 6.905 -2.496 714 HG21 ILE 96 1HG2 ILE 96 -4.929 4.945 -3.627 715 HG22 ILE 96 2HG2 ILE 96 -5.363 5.718 -2.103 716 HG23 ILE 96 3HG2 ILE 96 -5.981 6.361 -3.624 717 HD11 ILE 96 3HD1 ILE 96 -3.964 7.208 -0.743 718 HD12 ILE 96 1HD1 ILE 96 -3.493 5.534 -0.449 719 HD13 ILE 96 2HD1 ILE 96 -2.301 6.825 -0.298 720 H GLN 97 H GLN 97 -0.895 7.171 -4.650 721 HA GLN 97 HA GLN 97 0.568 8.892 -4.921 722 HB2 GLN 97 1HB GLN 97 -1.633 9.526 -6.809 723 HB3 GLN 97 2HB GLN 97 -0.500 10.822 -6.447 724 HG2 GLN 97 1HG GLN 97 1.228 9.802 -7.504 725 HG3 GLN 97 2HG GLN 97 0.636 8.181 -7.147 726 HE21 GLN 97 1HE2 GLN 97 0.339 7.174 -9.001 727 HE22 GLN 97 2HE2 GLN 97 -0.473 7.813 -10.385 728 H SER 98 H SER 98 -0.748 8.948 -2.549 729 HA SER 98 HA SER 98 -2.054 11.401 -1.987 730 HB2 SER 98 1HB SER 98 -2.005 9.162 -0.633 731 HB3 SER 98 2HB SER 98 -0.565 9.856 0.112 732 HG SER 98 HG SER 98 -2.249 11.782 0.211 733 H ARG 99 H ARG 99 -1.085 13.304 -2.249 734 HA ARG 99 HA ARG 99 1.760 13.622 -1.915 735 HB2 ARG 99 1HB ARG 99 0.801 14.889 -3.674 736 HB3 ARG 99 2HB ARG 99 -0.475 15.509 -2.634 737 HG2 ARG 99 1HG ARG 99 1.129 16.851 -1.414 738 HG3 ARG 99 2HG ARG 99 2.448 16.182 -2.376 739 HD2 ARG 99 1HD ARG 99 2.077 18.154 -3.485 740 HD3 ARG 99 2HD ARG 99 1.014 17.072 -4.384 741 HE ARG 99 HE ARG 99 -0.443 18.204 -2.279 742 HH11 ARG 99 1HH1 ARG 99 1.080 19.142 -5.266 743 HH12 ARG 99 2HH1 ARG 99 -0.014 20.453 -5.563 744 HH21 ARG 99 1HH2 ARG 99 -1.889 19.926 -2.659 745 HH22 ARG 99 2HH2 ARG 99 -1.702 20.898 -4.079 746 H THR 100 H THR 100 2.649 13.830 0.023 747 HA THR 100 HA THR 100 1.476 14.148 2.446 748 HB THR 100 HB THR 100 3.615 15.130 3.273 749 HG1 THR 100 1HG THR 100 4.013 15.403 0.506 750 HG21 THR 100 3HG2 THR 100 5.030 13.181 2.061 751 HG22 THR 100 1HG2 THR 100 3.391 12.650 1.684 752 HG23 THR 100 2HG2 THR 100 3.879 12.882 3.363 753 H MET 101 H MET 101 1.131 15.888 3.899 754 HA MET 101 HA MET 101 -0.138 18.129 2.771 755 HB2 MET 101 1HB MET 101 -0.684 18.732 4.927 756 HB3 MET 101 2HB MET 101 -0.359 17.017 5.138 757 HG2 MET 101 1HG MET 101 1.812 17.471 6.028 758 HG3 MET 101 2HG MET 101 1.663 19.184 5.643 759 HE1 MET 101 3HE MET 101 -1.802 18.312 6.713 760 HE2 MET 101 1HE MET 101 -1.012 16.765 7.019 761 HE3 MET 101 2HE MET 101 -1.660 17.705 8.363 762 HA PRO 102 HA PRO 102 3.242 20.841 1.968 763 HB2 PRO 102 1HB PRO 102 1.872 23.184 1.902 764 HB3 PRO 102 2HB PRO 102 1.794 21.989 0.602 765 HG2 PRO 102 1HG PRO 102 -0.132 22.483 2.840 766 HG3 PRO 102 2HG PRO 102 -0.465 22.165 1.128 767 HD2 PRO 102 1HD PRO 102 -0.672 20.250 3.031 768 HD3 PRO 102 2HD PRO 102 -0.179 19.890 1.364 769 H VAL 103 H VAL 103 4.374 20.602 3.950 770 HA VAL 103 HA VAL 103 3.855 21.495 6.438 771 HB VAL 103 HB VAL 103 5.954 20.416 5.933 772 HG11 VAL 103 1HG1 VAL 103 7.507 22.600 4.945 773 HG12 VAL 103 2HG1 VAL 103 7.228 21.017 4.217 774 HG13 VAL 103 3HG1 VAL 103 6.120 22.349 3.887 775 HG21 VAL 103 3HG2 VAL 103 7.467 22.449 6.944 776 HG22 VAL 103 1HG2 VAL 103 5.837 22.948 7.397 777 HG23 VAL 103 2HG2 VAL 103 6.449 21.373 7.901 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.208 -14.313 -20.606 2 HA2 GLY 1 1HA GLY 1 4.422 -15.813 -21.254 3 HA3 GLY 1 2HA GLY 1 5.065 -14.282 -20.680 4 H SER 2 H SER 2 3.454 -17.227 -19.812 5 HA SER 2 HA SER 2 3.127 -16.447 -17.039 6 HB2 SER 2 1HB SER 2 2.643 -19.088 -18.439 7 HB3 SER 2 2HB SER 2 2.255 -18.757 -16.750 8 HG SER 2 HG SER 2 0.753 -17.248 -17.410 9 H SER 3 H SER 3 4.698 -16.590 -15.594 10 HA SER 3 HA SER 3 6.882 -18.509 -16.072 11 HB2 SER 3 1HB SER 3 8.339 -16.995 -14.811 12 HB3 SER 3 2HB SER 3 7.599 -16.150 -16.170 13 HG SER 3 HG SER 3 7.469 -14.893 -14.292 14 H GLY 4 H GLY 4 5.034 -16.894 -13.492 15 HA2 GLY 4 1HA GLY 4 4.420 -19.183 -12.054 16 HA3 GLY 4 2HA GLY 4 5.957 -18.610 -11.423 17 H SER 5 H SER 5 3.001 -18.710 -10.484 18 HA SER 5 HA SER 5 3.153 -16.314 -8.925 19 HB2 SER 5 1HB SER 5 1.102 -15.262 -9.699 20 HB3 SER 5 2HB SER 5 2.216 -15.433 -11.055 21 HG SER 5 HG SER 5 0.415 -16.237 -11.891 22 H SER 6 H SER 6 2.695 -17.161 -7.007 23 HA SER 6 HA SER 6 0.339 -18.917 -6.784 24 HB2 SER 6 1HB SER 6 2.820 -19.062 -5.059 25 HB3 SER 6 2HB SER 6 1.447 -20.168 -5.038 26 HG SER 6 HG SER 6 3.615 -20.112 -6.693 27 H GLY 7 H GLY 7 -0.922 -17.021 -6.351 28 HA2 GLY 7 1HA GLY 7 -1.075 -16.431 -3.548 29 HA3 GLY 7 2HA GLY 7 -0.494 -15.062 -4.484 30 HA PRO 8 HA PRO 8 -5.123 -14.867 -4.352 31 HB2 PRO 8 1HB PRO 8 -5.227 -12.221 -3.753 32 HB3 PRO 8 2HB PRO 8 -5.084 -13.480 -2.521 33 HG2 PRO 8 1HG PRO 8 -2.955 -11.747 -3.714 34 HG3 PRO 8 2HG PRO 8 -3.204 -12.207 -2.020 35 HD2 PRO 8 1HD PRO 8 -1.366 -13.412 -3.601 36 HD3 PRO 8 2HD PRO 8 -2.221 -14.272 -2.305 37 H SER 9 H SER 9 -6.546 -13.716 -5.772 38 HA SER 9 HA SER 9 -5.165 -12.519 -8.084 39 HB2 SER 9 1HB SER 9 -6.259 -14.743 -8.501 40 HB3 SER 9 2HB SER 9 -7.809 -13.988 -8.131 41 HG SER 9 HG SER 9 -7.131 -14.090 -10.425 42 H GLY 10 H GLY 10 -6.343 -11.286 -5.598 43 HA2 GLY 10 1HA GLY 10 -7.886 -9.236 -7.008 44 HA3 GLY 10 2HA GLY 10 -8.636 -10.005 -5.617 45 H PHE 11 H PHE 11 -8.106 -7.239 -5.824 46 HA PHE 11 HA PHE 11 -5.999 -6.910 -3.791 47 HB2 PHE 11 1HB PHE 11 -6.014 -4.471 -4.637 48 HB3 PHE 11 2HB PHE 11 -5.240 -5.691 -5.642 49 HD1 PHE 11 2HD PHE 11 -6.666 -6.722 -7.521 50 HD2 PHE 11 1HD PHE 11 -7.644 -3.092 -5.526 51 HE1 PHE 11 2HE PHE 11 -8.100 -6.074 -9.412 52 HE2 PHE 11 1HE PHE 11 -9.080 -2.437 -7.414 53 HZ PHE 11 HZ PHE 11 -9.309 -3.929 -9.360 54 HA PRO 12 HA PRO 12 -8.956 -5.346 -0.951 55 HB2 PRO 12 1HB PRO 12 -7.513 -3.453 0.354 56 HB3 PRO 12 2HB PRO 12 -7.243 -5.186 0.572 57 HG2 PRO 12 1HG PRO 12 -5.739 -3.234 -1.128 58 HG3 PRO 12 2HG PRO 12 -5.112 -4.524 -0.084 59 HD2 PRO 12 1HD PRO 12 -5.324 -4.796 -2.770 60 HD3 PRO 12 2HD PRO 12 -5.519 -6.163 -1.653 61 H GLN 13 H GLN 13 -9.901 -3.228 -0.099 62 HA GLN 13 HA GLN 13 -9.917 -1.165 -2.195 63 HB2 GLN 13 1HB GLN 13 -12.429 -1.883 -0.723 64 HB3 GLN 13 2HB GLN 13 -12.246 -1.057 -2.265 65 HG2 GLN 13 1HG GLN 13 -11.361 -3.890 -2.020 66 HG3 GLN 13 2HG GLN 13 -13.080 -3.527 -2.160 67 HE21 GLN 13 1HE2 GLN 13 -12.378 -4.957 -4.121 68 HE22 GLN 13 2HE2 GLN 13 -12.048 -4.074 -5.569 69 H ASN 14 H ASN 14 -11.323 0.787 -1.272 70 HA ASN 14 HA ASN 14 -11.417 2.524 0.193 71 HB2 ASN 14 1HB ASN 14 -11.366 0.148 1.984 72 HB3 ASN 14 2HB ASN 14 -11.063 1.720 2.718 73 HD21 ASN 14 1HD2 ASN 14 -13.198 0.755 0.065 74 HD22 ASN 14 2HD2 ASN 14 -14.654 1.321 0.801 75 H LEU 15 H LEU 15 -8.881 1.682 -0.999 76 HA LEU 15 HA LEU 15 -6.823 2.090 0.958 77 HB2 LEU 15 1HB LEU 15 -6.598 0.755 -1.165 78 HB3 LEU 15 2HB LEU 15 -6.575 2.287 -2.036 79 HG LEU 15 HG LEU 15 -4.519 2.918 -0.852 80 HD11 LEU 15 1HD1 LEU 15 -3.337 0.976 0.339 81 HD12 LEU 15 2HD1 LEU 15 -4.945 0.268 0.482 82 HD13 LEU 15 3HD1 LEU 15 -4.606 1.838 1.210 83 HD21 LEU 15 3HD2 LEU 15 -3.336 1.943 -2.466 84 HD22 LEU 15 1HD2 LEU 15 -4.807 1.073 -2.900 85 HD23 LEU 15 2HD2 LEU 15 -3.634 0.332 -1.812 86 H HIS 16 H HIS 16 -6.486 4.003 1.866 87 HA HIS 16 HA HIS 16 -5.894 6.308 0.302 88 HB2 HIS 16 1HB HIS 16 -7.699 7.754 1.276 89 HB3 HIS 16 2HB HIS 16 -8.276 6.553 0.124 90 HD1 HIS 16 1HD HIS 16 -10.152 5.120 0.895 91 HD2 HIS 16 2HD HIS 16 -8.149 6.908 4.065 92 HE1 HIS 16 1HE HIS 16 -11.476 4.524 2.948 93 HE2 HIS 16 2HE HIS 16 -10.293 5.688 4.843 94 H VAL 17 H VAL 17 -5.977 8.326 2.011 95 HA VAL 17 HA VAL 17 -4.413 7.360 4.309 96 HB VAL 17 HB VAL 17 -3.144 8.799 2.811 97 HG11 VAL 17 1HG1 VAL 17 -5.571 10.210 2.597 98 HG12 VAL 17 2HG1 VAL 17 -4.402 11.319 3.316 99 HG13 VAL 17 3HG1 VAL 17 -4.047 10.541 1.773 100 HG21 VAL 17 3HG2 VAL 17 -3.282 9.025 5.515 101 HG22 VAL 17 1HG2 VAL 17 -2.089 9.838 4.501 102 HG23 VAL 17 2HG2 VAL 17 -3.541 10.696 5.016 103 H THR 18 H THR 18 -5.131 7.696 6.313 104 HA THR 18 HA THR 18 -7.629 9.154 6.672 105 HB THR 18 HB THR 18 -7.486 6.938 7.678 106 HG1 THR 18 1HG THR 18 -8.407 8.994 8.816 107 HG21 THR 18 3HG2 THR 18 -4.970 8.038 8.784 108 HG22 THR 18 1HG2 THR 18 -5.366 6.393 8.290 109 HG23 THR 18 2HG2 THR 18 -5.914 7.001 9.852 110 H GLY 19 H GLY 19 -4.290 9.652 7.074 111 HA2 GLY 19 1HA GLY 19 -4.632 12.300 8.009 112 HA3 GLY 19 2HA GLY 19 -4.152 11.264 9.345 113 H LEU 20 H LEU 20 -3.208 12.351 6.115 114 HA LEU 20 HA LEU 20 -0.603 11.257 6.169 115 HB2 LEU 20 1HB LEU 20 -0.281 12.289 4.163 116 HB3 LEU 20 2HB LEU 20 -2.042 12.265 4.221 117 HG LEU 20 HG LEU 20 -0.247 14.620 4.796 118 HD11 LEU 20 1HD1 LEU 20 -2.142 15.190 2.818 119 HD12 LEU 20 2HD1 LEU 20 -1.489 13.603 2.415 120 HD13 LEU 20 3HD1 LEU 20 -0.403 14.978 2.614 121 HD21 LEU 20 3HD2 LEU 20 -3.096 14.101 5.389 122 HD22 LEU 20 1HD2 LEU 20 -2.706 15.672 4.689 123 HD23 LEU 20 2HD2 LEU 20 -1.941 15.163 6.195 124 H THR 21 H THR 21 1.364 12.785 5.947 125 HA THR 21 HA THR 21 1.244 15.058 7.771 126 HB THR 21 HB THR 21 3.440 13.074 8.228 127 HG1 THR 21 1HG THR 21 1.402 11.955 8.461 128 HG21 THR 21 3HG2 THR 21 3.543 15.342 9.210 129 HG22 THR 21 1HG2 THR 21 3.474 14.077 10.437 130 HG23 THR 21 2HG2 THR 21 2.032 15.020 10.060 131 H THR 22 H THR 22 3.114 16.435 7.658 132 HA THR 22 HA THR 22 4.003 17.048 5.146 133 HB THR 22 HB THR 22 5.884 18.273 6.216 134 HG1 THR 22 1HG THR 22 4.912 16.968 8.559 135 HG21 THR 22 3HG2 THR 22 4.312 19.528 7.909 136 HG22 THR 22 1HG2 THR 22 3.072 18.497 7.195 137 HG23 THR 22 2HG2 THR 22 4.000 19.597 6.174 138 H SER 23 H SER 23 5.626 14.976 7.526 139 HA SER 23 HA SER 23 7.558 14.184 5.459 140 HB2 SER 23 1HB SER 23 7.661 13.740 8.453 141 HB3 SER 23 2HB SER 23 8.927 13.315 7.301 142 HG SER 23 HG SER 23 9.322 15.447 6.941 143 H THR 24 H THR 24 5.320 12.868 7.865 144 HA THR 24 HA THR 24 5.610 10.205 6.674 145 HB THR 24 HB THR 24 4.557 9.307 8.616 146 HG1 THR 24 1HG THR 24 3.426 10.524 10.044 147 HG21 THR 24 3HG2 THR 24 5.965 10.236 10.462 148 HG22 THR 24 1HG2 THR 24 6.473 11.517 9.361 149 HG23 THR 24 2HG2 THR 24 6.867 9.836 9.001 150 H THR 25 H THR 25 3.590 8.916 6.421 151 HA THR 25 HA THR 25 1.208 10.506 5.831 152 HB THR 25 HB THR 25 2.776 8.940 3.814 153 HG1 THR 25 1HG THR 25 1.537 11.475 3.992 154 HG21 THR 25 3HG2 THR 25 0.741 8.950 2.362 155 HG22 THR 25 1HG2 THR 25 -0.207 9.399 3.778 156 HG23 THR 25 2HG2 THR 25 0.636 7.850 3.737 157 H GLU 26 H GLU 26 -0.372 9.555 6.928 158 HA GLU 26 HA GLU 26 -0.240 6.820 7.756 159 HB2 GLU 26 1HB GLU 26 -2.320 8.979 8.014 160 HB3 GLU 26 2HB GLU 26 -2.637 7.332 8.540 161 HG2 GLU 26 1HG GLU 26 -0.448 7.603 9.893 162 HG3 GLU 26 2HG GLU 26 -0.712 9.328 9.645 163 H LEU 27 H LEU 27 -2.016 5.266 7.359 164 HA LEU 27 HA LEU 27 -3.388 5.591 4.803 165 HB2 LEU 27 1HB LEU 27 -1.647 3.211 5.429 166 HB3 LEU 27 2HB LEU 27 -2.631 3.432 3.983 167 HG LEU 27 HG LEU 27 -0.233 5.099 4.744 168 HD11 LEU 27 1HD1 LEU 27 0.946 3.960 3.016 169 HD12 LEU 27 2HD1 LEU 27 -0.504 3.087 2.521 170 HD13 LEU 27 3HD1 LEU 27 0.247 2.737 4.078 171 HD21 LEU 27 3HD2 LEU 27 -2.384 5.727 3.081 172 HD22 LEU 27 1HD2 LEU 27 -1.086 5.230 1.994 173 HD23 LEU 27 2HD2 LEU 27 -0.817 6.534 3.151 174 H ALA 28 H ALA 28 -5.042 3.934 4.442 175 HA ALA 28 HA ALA 28 -5.796 2.168 6.560 176 HB1 ALA 28 3HB ALA 28 -7.317 4.740 6.212 177 HB2 ALA 28 1HB ALA 28 -7.999 3.316 6.999 178 HB3 ALA 28 2HB ALA 28 -6.574 4.103 7.679 179 H TRP 29 H TRP 29 -6.339 0.489 5.326 180 HA TRP 29 HA TRP 29 -8.333 0.920 3.207 181 HB2 TRP 29 1HB TRP 29 -7.201 -0.735 1.798 182 HB3 TRP 29 2HB TRP 29 -6.131 0.616 2.160 183 HD1 TRP 29 HD TRP 29 -6.550 -3.118 2.768 184 HE1 TRP 29 1HE TRP 29 -4.381 -4.044 3.800 185 HE3 TRP 29 3HE TRP 29 -4.122 1.294 3.647 186 HZ2 TRP 29 2HZ TRP 29 -1.961 -3.036 4.849 187 HZ3 TRP 29 3HZ TRP 29 -1.884 1.226 4.668 188 HH2 TRP 29 HH TRP 29 -0.828 -0.895 5.256 189 H ASP 30 H ASP 30 -9.147 -1.384 2.465 190 HA ASP 30 HA ASP 30 -9.676 -2.955 4.902 191 HB2 ASP 30 1HB ASP 30 -11.517 -1.881 2.834 192 HB3 ASP 30 2HB ASP 30 -11.860 -3.500 3.438 193 HA PRO 31 HA PRO 31 -8.409 -6.604 2.828 194 HB2 PRO 31 1HB PRO 31 -10.241 -8.434 3.645 195 HB3 PRO 31 2HB PRO 31 -8.995 -7.778 4.714 196 HG2 PRO 31 1HG PRO 31 -11.875 -7.002 4.462 197 HG3 PRO 31 2HG PRO 31 -10.901 -7.227 5.926 198 HD2 PRO 31 1HD PRO 31 -11.441 -4.781 4.897 199 HD3 PRO 31 2HD PRO 31 -9.927 -5.146 5.750 200 HA PRO 32 HA PRO 32 -10.572 -7.145 -0.968 201 HB2 PRO 32 1HB PRO 32 -9.770 -9.646 -1.657 202 HB3 PRO 32 2HB PRO 32 -8.702 -8.240 -1.732 203 HG2 PRO 32 1HG PRO 32 -8.911 -10.348 0.383 204 HG3 PRO 32 2HG PRO 32 -7.461 -9.617 -0.328 205 HD2 PRO 32 1HD PRO 32 -8.440 -8.864 2.081 206 HD3 PRO 32 2HD PRO 32 -7.609 -7.734 0.993 207 H VAL 33 H VAL 33 -12.664 -7.526 -1.291 208 HA VAL 33 HA VAL 33 -14.370 -8.908 0.349 209 HB VAL 33 HB VAL 33 -15.954 -9.012 -1.562 210 HG11 VAL 33 1HG1 VAL 33 -15.170 -6.864 -0.165 211 HG12 VAL 33 2HG1 VAL 33 -14.783 -6.309 -1.795 212 HG13 VAL 33 3HG1 VAL 33 -16.428 -6.805 -1.399 213 HG21 VAL 33 3HG2 VAL 33 -14.536 -7.478 -3.472 214 HG22 VAL 33 1HG2 VAL 33 -13.540 -8.877 -3.069 215 HG23 VAL 33 2HG2 VAL 33 -15.191 -9.107 -3.646 216 H LEU 34 H LEU 34 -14.982 -10.974 0.642 217 HA LEU 34 HA LEU 34 -13.456 -13.130 0.044 218 HB2 LEU 34 1HB LEU 34 -15.232 -14.507 0.682 219 HB3 LEU 34 2HB LEU 34 -15.503 -12.990 1.538 220 HG LEU 34 HG LEU 34 -16.892 -13.428 -1.062 221 HD11 LEU 34 1HD1 LEU 34 -18.232 -15.065 -0.370 222 HD12 LEU 34 2HD1 LEU 34 -18.451 -14.324 1.215 223 HD13 LEU 34 3HD1 LEU 34 -17.053 -15.355 0.909 224 HD21 LEU 34 3HD2 LEU 34 -18.270 -11.787 -0.340 225 HD22 LEU 34 1HD2 LEU 34 -16.875 -11.374 0.658 226 HD23 LEU 34 2HD2 LEU 34 -18.201 -12.315 1.342 227 H ALA 35 H ALA 35 -15.575 -11.462 -2.109 228 HA ALA 35 HA ALA 35 -15.881 -13.542 -4.033 229 HB1 ALA 35 3HB ALA 35 -16.092 -10.968 -5.247 230 HB2 ALA 35 1HB ALA 35 -17.369 -12.122 -4.861 231 HB3 ALA 35 2HB ALA 35 -16.870 -10.926 -3.664 232 H GLU 36 H GLU 36 -13.744 -10.707 -3.814 233 HA GLU 36 HA GLU 36 -12.352 -11.319 -6.231 234 HB2 GLU 36 1HB GLU 36 -11.782 -9.435 -3.948 235 HB3 GLU 36 2HB GLU 36 -10.698 -9.605 -5.321 236 HG2 GLU 36 1HG GLU 36 -12.338 -8.795 -6.828 237 HG3 GLU 36 2HG GLU 36 -13.600 -8.883 -5.601 238 H ARG 37 H ARG 37 -11.200 -11.284 -2.852 239 HA ARG 37 HA ARG 37 -8.778 -12.486 -3.159 240 HB2 ARG 37 1HB ARG 37 -9.096 -13.413 -0.850 241 HB3 ARG 37 2HB ARG 37 -9.445 -11.696 -1.003 242 HG2 ARG 37 1HG ARG 37 -11.247 -12.316 0.219 243 HG3 ARG 37 2HG ARG 37 -11.901 -12.613 -1.393 244 HD2 ARG 37 1HD ARG 37 -10.415 -14.816 -0.064 245 HD3 ARG 37 2HD ARG 37 -12.025 -14.426 0.542 246 HE ARG 37 HE ARG 37 -12.011 -14.691 -2.291 247 HH11 ARG 37 1HH1 ARG 37 -11.996 -16.512 0.676 248 HH12 ARG 37 2HH1 ARG 37 -12.753 -17.905 -0.023 249 HH21 ARG 37 1HH2 ARG 37 -13.008 -16.519 -3.222 250 HH22 ARG 37 2HH2 ARG 37 -13.327 -17.908 -2.241 251 H ASN 38 H ASN 38 -8.154 -14.760 -2.450 252 HA ASN 38 HA ASN 38 -9.902 -16.684 -3.836 253 HB2 ASN 38 1HB ASN 38 -6.937 -16.360 -3.716 254 HB3 ASN 38 2HB ASN 38 -7.588 -17.989 -3.870 255 HD21 ASN 38 1HD2 ASN 38 -6.255 -15.726 -5.623 256 HD22 ASN 38 2HD2 ASN 38 -7.109 -15.891 -7.116 257 H GLY 39 H GLY 39 -7.477 -16.521 -1.221 258 HA2 GLY 39 1HA GLY 39 -9.053 -18.580 0.198 259 HA3 GLY 39 2HA GLY 39 -7.297 -18.547 0.225 260 H ARG 40 H ARG 40 -6.325 -17.503 1.844 261 HA ARG 40 HA ARG 40 -7.938 -15.610 3.425 262 HB2 ARG 40 1HB ARG 40 -6.053 -17.768 4.359 263 HB3 ARG 40 2HB ARG 40 -6.516 -16.421 5.390 264 HG2 ARG 40 1HG ARG 40 -8.842 -17.073 5.256 265 HG3 ARG 40 2HG ARG 40 -8.434 -18.374 4.136 266 HD2 ARG 40 1HD ARG 40 -8.564 -19.502 6.144 267 HD3 ARG 40 2HD ARG 40 -6.840 -19.149 6.038 268 HE ARG 40 HE ARG 40 -7.043 -17.818 7.883 269 HH11 ARG 40 1HH1 ARG 40 -10.204 -18.353 6.526 270 HH12 ARG 40 2HH1 ARG 40 -11.039 -17.582 7.833 271 HH21 ARG 40 1HH2 ARG 40 -8.131 -16.799 9.610 272 HH22 ARG 40 2HH2 ARG 40 -9.859 -16.697 9.586 273 H ILE 41 H ILE 41 -6.729 -13.964 4.558 274 HA ILE 41 HA ILE 41 -4.292 -13.217 3.097 275 HB ILE 41 HB ILE 41 -5.869 -11.358 4.852 276 HG12 ILE 41 1HG1 ILE 41 -7.446 -12.331 3.240 277 HG13 ILE 41 2HG1 ILE 41 -7.123 -10.641 2.867 278 HG21 ILE 41 1HG2 ILE 41 -4.130 -10.071 4.296 279 HG22 ILE 41 2HG2 ILE 41 -3.619 -11.165 3.012 280 HG23 ILE 41 3HG2 ILE 41 -4.877 -9.969 2.703 281 HD11 ILE 41 3HD1 ILE 41 -5.877 -13.007 1.488 282 HD12 ILE 41 1HD1 ILE 41 -7.199 -12.022 0.861 283 HD13 ILE 41 2HD1 ILE 41 -5.602 -11.310 1.097 284 H ILE 42 H ILE 42 -2.386 -12.956 4.112 285 HA ILE 42 HA ILE 42 -2.333 -13.448 7.012 286 HB ILE 42 HB ILE 42 0.091 -14.020 6.624 287 HG12 ILE 42 1HG1 ILE 42 -0.791 -13.995 3.729 288 HG13 ILE 42 2HG1 ILE 42 0.347 -12.871 4.463 289 HG21 ILE 42 1HG2 ILE 42 -0.411 -16.258 5.701 290 HG22 ILE 42 2HG2 ILE 42 -1.551 -15.754 6.948 291 HG23 ILE 42 3HG2 ILE 42 -2.015 -15.681 5.248 292 HD11 ILE 42 3HD1 ILE 42 1.769 -14.890 5.008 293 HD12 ILE 42 1HD1 ILE 42 0.708 -15.800 3.934 294 HD13 ILE 42 2HD1 ILE 42 1.645 -14.443 3.307 295 H SER 43 H SER 43 -1.051 -11.384 4.453 296 HA SER 43 HA SER 43 -0.817 -9.164 6.237 297 HB2 SER 43 1HB SER 43 1.764 -10.257 5.097 298 HB3 SER 43 2HB SER 43 1.581 -8.835 6.122 299 HG SER 43 HG SER 43 0.595 -10.462 7.651 300 H TYR 44 H TYR 44 0.491 -7.334 5.001 301 HA TYR 44 HA TYR 44 -0.120 -7.482 2.132 302 HB2 TYR 44 1HB TYR 44 -0.893 -5.206 3.969 303 HB3 TYR 44 2HB TYR 44 -1.059 -5.196 2.217 304 HD1 TYR 44 2HD TYR 44 -2.073 -7.262 5.163 305 HD2 TYR 44 1HD TYR 44 -3.109 -5.762 1.318 306 HE1 TYR 44 2HE TYR 44 -4.304 -8.275 5.375 307 HE2 TYR 44 1HE TYR 44 -5.344 -6.769 1.521 308 HH TYR 44 HH TYR 44 -6.627 -8.179 2.714 309 H THR 45 H THR 45 0.818 -5.500 0.978 310 HA THR 45 HA THR 45 3.350 -4.666 2.219 311 HB THR 45 HB THR 45 3.073 -5.606 -0.642 312 HG1 THR 45 1HG THR 45 3.367 -7.032 1.538 313 HG21 THR 45 3HG2 THR 45 5.283 -4.339 0.918 314 HG22 THR 45 1HG2 THR 45 4.773 -4.047 -0.744 315 HG23 THR 45 2HG2 THR 45 5.674 -5.509 -0.342 316 H VAL 46 H VAL 46 3.081 -2.535 2.469 317 HA VAL 46 HA VAL 46 1.602 -0.969 0.531 318 HB VAL 46 HB VAL 46 3.042 -0.114 3.046 319 HG11 VAL 46 1HG1 VAL 46 2.554 2.018 2.590 320 HG12 VAL 46 2HG1 VAL 46 2.306 1.479 0.928 321 HG13 VAL 46 3HG1 VAL 46 0.932 1.616 2.027 322 HG21 VAL 46 3HG2 VAL 46 0.973 -1.670 3.146 323 HG22 VAL 46 1HG2 VAL 46 1.021 -0.238 4.175 324 HG23 VAL 46 2HG2 VAL 46 0.072 -0.224 2.689 325 H VAL 47 H VAL 47 2.718 -0.721 -1.336 326 HA VAL 47 HA VAL 47 5.540 0.008 -1.256 327 HB VAL 47 HB VAL 47 3.724 -0.537 -3.608 328 HG11 VAL 47 1HG1 VAL 47 6.468 -0.790 -4.267 329 HG12 VAL 47 2HG1 VAL 47 5.287 0.352 -4.910 330 HG13 VAL 47 3HG1 VAL 47 6.244 0.776 -3.490 331 HG21 VAL 47 3HG2 VAL 47 4.340 -2.699 -3.528 332 HG22 VAL 47 1HG2 VAL 47 5.990 -2.316 -3.036 333 HG23 VAL 47 2HG2 VAL 47 4.698 -2.349 -1.837 334 H PHE 48 H PHE 48 6.051 2.079 -1.038 335 HA PHE 48 HA PHE 48 4.339 4.092 -2.343 336 HB2 PHE 48 1HB PHE 48 5.077 5.675 -0.593 337 HB3 PHE 48 2HB PHE 48 4.220 4.293 0.082 338 HD1 PHE 48 2HD PHE 48 5.699 2.331 0.915 339 HD2 PHE 48 1HD PHE 48 7.119 6.293 0.281 340 HE1 PHE 48 2HE PHE 48 7.596 1.887 2.417 341 HE2 PHE 48 1HE PHE 48 9.019 5.855 1.782 342 HZ PHE 48 HZ PHE 48 9.259 3.650 2.853 343 H ARG 49 H ARG 49 5.286 5.635 -3.598 344 HA ARG 49 HA ARG 49 8.155 5.978 -3.636 345 HB2 ARG 49 1HB ARG 49 8.121 4.104 -5.077 346 HB3 ARG 49 2HB ARG 49 6.672 4.664 -5.902 347 HG2 ARG 49 1HG ARG 49 7.959 6.519 -6.869 348 HG3 ARG 49 2HG ARG 49 9.410 5.905 -6.073 349 HD2 ARG 49 1HD ARG 49 9.354 5.190 -8.391 350 HD3 ARG 49 2HD ARG 49 9.186 3.801 -7.318 351 HE ARG 49 HE ARG 49 6.623 4.481 -7.876 352 HH11 ARG 49 1HH1 ARG 49 9.419 3.815 -9.841 353 HH12 ARG 49 2HH1 ARG 49 8.499 3.186 -11.168 354 HH21 ARG 49 1HH2 ARG 49 5.401 3.655 -9.616 355 HH22 ARG 49 2HH2 ARG 49 6.214 3.097 -11.039 356 H ASP 50 H ASP 50 8.806 7.875 -4.652 357 HA ASP 50 HA ASP 50 6.754 9.872 -4.918 358 HB2 ASP 50 1HB ASP 50 9.654 10.281 -5.609 359 HB3 ASP 50 2HB ASP 50 8.495 11.453 -4.988 360 H ILE 51 H ILE 51 5.627 10.163 -6.714 361 HA ILE 51 HA ILE 51 6.292 9.025 -9.207 362 HB ILE 51 HB ILE 51 4.442 10.367 -10.123 363 HG12 ILE 51 1HG1 ILE 51 4.040 11.500 -7.362 364 HG13 ILE 51 2HG1 ILE 51 4.994 12.349 -8.572 365 HG21 ILE 51 1HG2 ILE 51 3.988 8.939 -7.517 366 HG22 ILE 51 2HG2 ILE 51 2.665 9.508 -8.534 367 HG23 ILE 51 3HG2 ILE 51 3.803 8.313 -9.155 368 HD11 ILE 51 3HD1 ILE 51 3.019 12.307 -10.070 369 HD12 ILE 51 1HD1 ILE 51 2.086 11.609 -8.747 370 HD13 ILE 51 2HD1 ILE 51 2.775 13.225 -8.584 371 H ASN 52 H ASN 52 7.651 11.629 -7.680 372 HA ASN 52 HA ASN 52 8.266 13.034 -10.185 373 HB2 ASN 52 1HB ASN 52 8.778 13.943 -7.345 374 HB3 ASN 52 2HB ASN 52 8.970 14.906 -8.806 375 HD21 ASN 52 1HD2 ASN 52 6.632 13.249 -6.777 376 HD22 ASN 52 2HD2 ASN 52 5.274 14.214 -7.234 377 H SER 53 H SER 53 9.523 10.737 -8.125 378 HA SER 53 HA SER 53 12.227 11.204 -9.171 379 HB2 SER 53 1HB SER 53 11.391 10.950 -6.328 380 HB3 SER 53 2HB SER 53 12.877 10.129 -6.803 381 HG SER 53 HG SER 53 13.551 12.122 -6.293 382 H GLN 54 H GLN 54 13.611 9.133 -8.545 383 HA GLN 54 HA GLN 54 12.015 6.822 -9.419 384 HB2 GLN 54 1HB GLN 54 14.213 5.901 -10.204 385 HB3 GLN 54 2HB GLN 54 13.687 7.355 -11.041 386 HG2 GLN 54 1HG GLN 54 15.262 8.695 -9.927 387 HG3 GLN 54 2HG GLN 54 15.596 7.445 -8.730 388 HE21 GLN 54 1HE2 GLN 54 16.626 5.472 -9.518 389 HE22 GLN 54 2HE2 GLN 54 17.752 5.586 -10.823 390 H GLN 55 H GLN 55 12.185 7.636 -6.669 391 HA GLN 55 HA GLN 55 13.915 5.599 -5.470 392 HB2 GLN 55 1HB GLN 55 14.138 7.797 -4.497 393 HB3 GLN 55 2HB GLN 55 12.400 7.912 -4.255 394 HG2 GLN 55 1HG GLN 55 13.590 7.434 -2.178 395 HG3 GLN 55 2HG GLN 55 12.475 6.140 -2.614 396 HE21 GLN 55 1HE2 GLN 55 13.328 4.186 -3.439 397 HE22 GLN 55 2HE2 GLN 55 14.957 3.718 -3.108 398 H GLU 56 H GLU 56 12.825 3.696 -5.744 399 HA GLU 56 HA GLU 56 10.015 3.512 -5.039 400 HB2 GLU 56 1HB GLU 56 11.142 2.291 -6.991 401 HB3 GLU 56 2HB GLU 56 11.820 1.217 -5.776 402 HG2 GLU 56 1HG GLU 56 9.522 0.689 -5.025 403 HG3 GLU 56 2HG GLU 56 8.902 1.675 -6.347 404 H LEU 57 H LEU 57 9.194 2.614 -3.225 405 HA LEU 57 HA LEU 57 10.891 1.097 -1.425 406 HB2 LEU 57 1HB LEU 57 9.489 3.567 -0.431 407 HB3 LEU 57 2HB LEU 57 10.564 2.505 0.475 408 HG LEU 57 HG LEU 57 11.573 4.037 -1.895 409 HD11 LEU 57 1HD1 LEU 57 12.187 5.319 0.604 410 HD12 LEU 57 2HD1 LEU 57 10.443 5.259 0.349 411 HD13 LEU 57 3HD1 LEU 57 11.486 5.999 -0.865 412 HD21 LEU 57 3HD2 LEU 57 12.838 2.154 -0.708 413 HD22 LEU 57 1HD2 LEU 57 13.012 3.290 0.631 414 HD23 LEU 57 2HD2 LEU 57 13.683 3.683 -0.952 415 H GLN 58 H GLN 58 9.652 0.197 0.413 416 HA GLN 58 HA GLN 58 6.782 0.274 0.300 417 HB2 GLN 58 1HB GLN 58 6.439 -2.077 -0.227 418 HB3 GLN 58 2HB GLN 58 7.276 -1.274 -1.549 419 HG2 GLN 58 1HG GLN 58 9.402 -2.166 -0.244 420 HG3 GLN 58 2HG GLN 58 8.235 -3.360 0.321 421 HE21 GLN 58 1HE2 GLN 58 10.253 -2.378 -2.215 422 HE22 GLN 58 2HE2 GLN 58 9.777 -3.564 -3.377 423 H ASN 59 H ASN 59 5.804 -1.200 1.945 424 HA ASN 59 HA ASN 59 7.669 -1.945 4.080 425 HB2 ASN 59 1HB ASN 59 5.339 -0.056 4.302 426 HB3 ASN 59 2HB ASN 59 5.900 -0.970 5.699 427 HD21 ASN 59 1HD2 ASN 59 8.518 -0.929 5.622 428 HD22 ASN 59 2HD2 ASN 59 9.145 0.681 5.625 429 H ILE 60 H ILE 60 6.434 -3.157 5.865 430 HA ILE 60 HA ILE 60 4.252 -4.761 4.725 431 HB ILE 60 HB ILE 60 6.615 -5.914 6.211 432 HG12 ILE 60 1HG1 ILE 60 5.829 -6.168 3.300 433 HG13 ILE 60 2HG1 ILE 60 7.181 -5.223 3.913 434 HG21 ILE 60 1HG2 ILE 60 5.615 -8.005 6.049 435 HG22 ILE 60 2HG2 ILE 60 4.264 -6.947 6.453 436 HG23 ILE 60 3HG2 ILE 60 4.498 -7.482 4.789 437 HD11 ILE 60 3HD1 ILE 60 7.626 -7.556 2.932 438 HD12 ILE 60 1HD1 ILE 60 8.417 -7.105 4.442 439 HD13 ILE 60 2HD1 ILE 60 6.998 -8.152 4.468 440 H THR 61 H THR 61 2.639 -5.250 6.109 441 HA THR 61 HA THR 61 3.029 -5.107 8.976 442 HB THR 61 HB THR 61 2.598 -2.769 8.509 443 HG1 THR 61 1HG THR 61 0.477 -2.652 9.659 444 HG21 THR 61 3HG2 THR 61 0.737 -3.861 6.590 445 HG22 THR 61 1HG2 THR 61 1.386 -2.227 6.715 446 HG23 THR 61 2HG2 THR 61 -0.052 -2.677 7.631 447 H THR 62 H THR 62 1.600 -6.355 10.083 448 HA THR 62 HA THR 62 -0.024 -8.170 8.590 449 HB THR 62 HB THR 62 -0.704 -9.033 10.846 450 HG1 THR 62 1HG THR 62 0.430 -6.667 11.594 451 HG21 THR 62 3HG2 THR 62 2.283 -8.725 10.682 452 HG22 THR 62 1HG2 THR 62 1.385 -9.727 9.542 453 HG23 THR 62 2HG2 THR 62 1.351 -10.103 11.265 454 H ASP 63 H ASP 63 -0.560 -5.070 9.752 455 HA ASP 63 HA ASP 63 -3.426 -5.457 10.161 456 HB2 ASP 63 1HB ASP 63 -1.485 -3.269 10.752 457 HB3 ASP 63 2HB ASP 63 -3.178 -2.839 10.521 458 H THR 64 H THR 64 -4.947 -3.981 9.082 459 HA THR 64 HA THR 64 -4.396 -3.889 6.248 460 HB THR 64 HB THR 64 -6.820 -2.769 6.378 461 HG1 THR 64 1HG THR 64 -7.221 -2.691 8.506 462 HG21 THR 64 3HG2 THR 64 -6.105 -5.681 6.674 463 HG22 THR 64 1HG2 THR 64 -6.470 -4.796 5.193 464 HG23 THR 64 2HG2 THR 64 -7.749 -5.126 6.362 465 H ARG 65 H ARG 65 -3.131 -2.002 8.300 466 HA ARG 65 HA ARG 65 -3.528 0.416 6.704 467 HB2 ARG 65 1HB ARG 65 -3.727 1.837 8.653 468 HB3 ARG 65 2HB ARG 65 -4.993 0.617 8.691 469 HG2 ARG 65 1HG ARG 65 -4.293 0.577 10.864 470 HG3 ARG 65 2HG ARG 65 -3.271 -0.684 10.172 471 HD2 ARG 65 1HD ARG 65 -1.390 0.715 10.119 472 HD3 ARG 65 2HD ARG 65 -2.362 2.171 10.323 473 HE ARG 65 HE ARG 65 -1.347 0.476 12.391 474 HH11 ARG 65 1HH1 ARG 65 -3.923 2.656 11.534 475 HH12 ARG 65 2HH1 ARG 65 -4.280 3.085 13.174 476 HH21 ARG 65 1HH2 ARG 65 -1.809 1.033 14.554 477 HH22 ARG 65 2HH2 ARG 65 -3.077 2.163 14.891 478 H PHE 66 H PHE 66 -1.823 2.071 7.190 479 HA PHE 66 HA PHE 66 0.569 1.262 8.520 480 HB2 PHE 66 1HB PHE 66 0.639 -0.090 6.388 481 HB3 PHE 66 2HB PHE 66 0.740 1.432 5.509 482 HD1 PHE 66 1HD PHE 66 2.493 -0.890 7.721 483 HD2 PHE 66 2HD PHE 66 2.749 2.767 5.557 484 HE1 PHE 66 1HE PHE 66 4.936 -0.891 8.014 485 HE2 PHE 66 2HE PHE 66 5.192 2.771 5.846 486 HZ PHE 66 HZ PHE 66 6.289 0.940 7.075 487 H THR 67 H THR 67 2.291 2.883 8.320 488 HA THR 67 HA THR 67 1.348 5.488 7.337 489 HB THR 67 HB THR 67 2.586 4.996 10.052 490 HG1 THR 67 1HG THR 67 0.599 5.202 10.792 491 HG21 THR 67 3HG2 THR 67 1.617 7.633 9.808 492 HG22 THR 67 1HG2 THR 67 2.606 7.324 8.381 493 HG23 THR 67 2HG2 THR 67 3.291 7.108 9.992 494 H LEU 68 H LEU 68 2.754 6.045 5.807 495 HA LEU 68 HA LEU 68 5.387 5.056 5.604 496 HB2 LEU 68 1HB LEU 68 4.000 7.385 4.300 497 HB3 LEU 68 2HB LEU 68 5.648 6.905 3.903 498 HG LEU 68 HG LEU 68 4.572 5.813 2.238 499 HD11 LEU 68 1HD1 LEU 68 4.008 3.824 4.426 500 HD12 LEU 68 2HD1 LEU 68 5.611 4.114 3.753 501 HD13 LEU 68 3HD1 LEU 68 4.321 3.496 2.722 502 HD21 LEU 68 3HD2 LEU 68 2.298 5.183 2.199 503 HD22 LEU 68 1HD2 LEU 68 2.355 6.730 3.044 504 HD23 LEU 68 2HD2 LEU 68 2.174 5.233 3.958 505 H THR 69 H THR 69 7.282 6.674 5.326 506 HA THR 69 HA THR 69 7.281 8.947 7.084 507 HB THR 69 HB THR 69 8.961 8.151 8.653 508 HG1 THR 69 1HG THR 69 8.645 5.485 7.879 509 HG21 THR 69 3HG2 THR 69 6.566 7.849 9.204 510 HG22 THR 69 1HG2 THR 69 7.597 6.636 9.962 511 HG23 THR 69 2HG2 THR 69 6.643 6.218 8.539 512 H GLY 70 H GLY 70 9.518 9.918 7.239 513 HA2 GLY 70 1HA GLY 70 11.405 10.722 6.208 514 HA3 GLY 70 2HA GLY 70 11.604 9.115 5.524 515 H LEU 71 H LEU 71 8.790 11.135 4.976 516 HA LEU 71 HA LEU 71 9.480 11.198 2.125 517 HB2 LEU 71 1HB LEU 71 6.808 11.967 3.221 518 HB3 LEU 71 2HB LEU 71 7.217 11.317 1.635 519 HG LEU 71 HG LEU 71 7.401 9.676 4.151 520 HD11 LEU 71 1HD1 LEU 71 5.046 10.709 3.039 521 HD12 LEU 71 2HD1 LEU 71 5.201 9.419 4.230 522 HD13 LEU 71 3HD1 LEU 71 5.138 9.029 2.512 523 HD21 LEU 71 3HD2 LEU 71 7.829 9.241 1.285 524 HD22 LEU 71 1HD2 LEU 71 6.821 8.023 2.067 525 HD23 LEU 71 2HD2 LEU 71 8.444 8.348 2.677 526 H LYS 72 H LYS 72 8.748 13.169 0.919 527 HA LYS 72 HA LYS 72 9.616 15.544 2.388 528 HB2 LYS 72 1HB LYS 72 10.592 14.770 0.119 529 HB3 LYS 72 2HB LYS 72 9.113 15.423 -0.573 530 HG2 LYS 72 1HG LYS 72 9.629 17.618 0.261 531 HG3 LYS 72 2HG LYS 72 11.038 16.997 1.124 532 HD2 LYS 72 1HD LYS 72 12.071 17.790 -0.750 533 HD3 LYS 72 2HD LYS 72 11.693 16.156 -1.303 534 HE2 LYS 72 1HE LYS 72 9.716 16.957 -2.435 535 HE3 LYS 72 2HE LYS 72 9.964 18.579 -1.791 536 HZ1 LYS 72 3HZ LYS 72 12.291 18.174 -3.007 537 HZ2 LYS 72 1HZ LYS 72 10.957 18.883 -3.771 538 HZ3 LYS 72 2HZ LYS 72 11.289 17.240 -4.000 539 HA PRO 73 HA PRO 73 5.518 17.150 2.642 540 HB2 PRO 73 1HB PRO 73 6.137 19.764 3.031 541 HB3 PRO 73 2HB PRO 73 6.330 18.534 4.286 542 HG2 PRO 73 1HG PRO 73 8.386 19.715 2.459 543 HG3 PRO 73 2HG PRO 73 8.501 19.362 4.193 544 HD2 PRO 73 1HD PRO 73 9.560 17.738 2.302 545 HD3 PRO 73 2HD PRO 73 8.915 17.122 3.838 546 H ASP 74 H ASP 74 4.015 18.005 1.291 547 HA ASP 74 HA ASP 74 3.077 18.856 -0.598 548 HB2 ASP 74 1HB ASP 74 4.061 20.966 0.130 549 HB3 ASP 74 2HB ASP 74 5.590 20.539 -0.633 550 H THR 75 H THR 75 4.265 16.448 -0.947 551 HA THR 75 HA THR 75 5.125 16.612 -3.732 552 HB THR 75 HB THR 75 6.718 15.300 -1.540 553 HG1 THR 75 1HG THR 75 7.772 17.097 -1.962 554 HG21 THR 75 3HG2 THR 75 6.544 13.549 -3.116 555 HG22 THR 75 1HG2 THR 75 8.085 14.333 -3.459 556 HG23 THR 75 2HG2 THR 75 6.685 14.657 -4.481 557 H THR 76 H THR 76 4.042 15.196 -4.930 558 HA THR 76 HA THR 76 2.140 13.431 -3.855 559 HB THR 76 HB THR 76 3.351 13.385 -6.626 560 HG1 THR 76 1HG THR 76 0.848 14.511 -6.006 561 HG21 THR 76 3HG2 THR 76 1.073 11.957 -5.351 562 HG22 THR 76 1HG2 THR 76 2.204 11.402 -6.584 563 HG23 THR 76 2HG2 THR 76 0.888 12.493 -7.020 564 H TYR 77 H TYR 77 2.242 11.374 -3.196 565 HA TYR 77 HA TYR 77 4.687 9.843 -3.791 566 HB2 TYR 77 1HB TYR 77 3.316 10.339 -1.190 567 HB3 TYR 77 2HB TYR 77 4.049 8.760 -1.449 568 HD1 TYR 77 1HD TYR 77 6.490 8.573 -1.809 569 HD2 TYR 77 2HD TYR 77 4.658 12.286 -0.828 570 HE1 TYR 77 1HE TYR 77 8.688 9.487 -1.192 571 HE2 TYR 77 2HE TYR 77 6.851 13.211 -0.209 572 HH TYR 77 HH TYR 77 9.686 11.216 0.028 573 H ASP 78 H ASP 78 4.051 8.354 -5.220 574 HA ASP 78 HA ASP 78 1.439 7.277 -5.371 575 HB2 ASP 78 1HB ASP 78 2.742 7.275 -7.362 576 HB3 ASP 78 2HB ASP 78 4.070 6.426 -6.575 577 H ILE 79 H ILE 79 0.740 6.310 -3.522 578 HA ILE 79 HA ILE 79 2.348 4.078 -2.473 579 HB ILE 79 HB ILE 79 0.074 5.472 -1.063 580 HG12 ILE 79 1HG1 ILE 79 2.923 5.883 -0.275 581 HG13 ILE 79 2HG1 ILE 79 2.309 6.782 -1.658 582 HG21 ILE 79 1HG2 ILE 79 0.457 4.116 0.699 583 HG22 ILE 79 2HG2 ILE 79 1.110 3.047 -0.541 584 HG23 ILE 79 3HG2 ILE 79 2.197 4.056 0.414 585 HD11 ILE 79 3HD1 ILE 79 0.664 6.821 0.794 586 HD12 ILE 79 1HD1 ILE 79 2.194 7.697 0.835 587 HD13 ILE 79 2HD1 ILE 79 0.983 8.093 -0.384 588 H LYS 80 H LYS 80 1.560 2.052 -2.494 589 HA LYS 80 HA LYS 80 -1.274 1.644 -3.143 590 HB2 LYS 80 1HB LYS 80 -0.335 -0.363 -4.563 591 HB3 LYS 80 2HB LYS 80 -0.460 1.248 -5.258 592 HG2 LYS 80 1HG LYS 80 2.006 1.445 -4.317 593 HG3 LYS 80 2HG LYS 80 1.941 -0.311 -4.490 594 HD2 LYS 80 1HD LYS 80 1.095 1.502 -6.725 595 HD3 LYS 80 2HD LYS 80 2.793 1.090 -6.478 596 HE2 LYS 80 1HE LYS 80 1.892 -1.358 -6.415 597 HE3 LYS 80 2HE LYS 80 0.502 -0.668 -7.251 598 HZ1 LYS 80 3HZ LYS 80 2.143 0.266 -8.880 599 HZ2 LYS 80 1HZ LYS 80 1.986 -1.419 -8.901 600 HZ3 LYS 80 2HZ LYS 80 3.324 -0.703 -8.153 601 H VAL 81 H VAL 81 -1.588 -0.949 -3.107 602 HA VAL 81 HA VAL 81 -0.100 -2.170 -0.931 603 HB VAL 81 HB VAL 81 -2.193 -0.770 -0.098 604 HG11 VAL 81 1HG1 VAL 81 -4.235 -1.900 -0.071 605 HG12 VAL 81 2HG1 VAL 81 -3.648 -2.133 -1.718 606 HG13 VAL 81 3HG1 VAL 81 -3.500 -3.434 -0.535 607 HG21 VAL 81 3HG2 VAL 81 -1.999 -1.908 1.870 608 HG22 VAL 81 1HG2 VAL 81 -2.035 -3.489 1.088 609 HG23 VAL 81 2HG2 VAL 81 -0.563 -2.519 1.049 610 H ARG 82 H ARG 82 -0.698 -4.445 -0.603 611 HA ARG 82 HA ARG 82 -2.344 -5.728 -2.591 612 HB2 ARG 82 1HB ARG 82 -0.587 -7.075 -3.587 613 HB3 ARG 82 2HB ARG 82 -0.241 -5.368 -3.829 614 HG2 ARG 82 1HG ARG 82 1.430 -5.390 -2.126 615 HG3 ARG 82 2HG ARG 82 0.980 -7.025 -1.635 616 HD2 ARG 82 1HD ARG 82 1.760 -7.926 -3.719 617 HD3 ARG 82 2HD ARG 82 2.036 -6.309 -4.365 618 HE ARG 82 HE ARG 82 3.527 -6.961 -1.972 619 HH11 ARG 82 1HH1 ARG 82 3.480 -6.882 -5.452 620 HH12 ARG 82 2HH1 ARG 82 5.206 -6.891 -5.605 621 HH21 ARG 82 1HH2 ARG 82 5.800 -6.973 -2.161 622 HH22 ARG 82 2HH2 ARG 82 6.524 -6.944 -3.732 623 H ALA 83 H ALA 83 -3.198 -7.546 -1.784 624 HA ALA 83 HA ALA 83 -2.544 -8.350 0.884 625 HB1 ALA 83 3HB ALA 83 -4.759 -8.590 -0.799 626 HB2 ALA 83 1HB ALA 83 -4.222 -10.242 -0.492 627 HB3 ALA 83 2HB ALA 83 -4.607 -9.173 0.858 628 H TRP 84 H TRP 84 -1.834 -10.421 1.567 629 HA TRP 84 HA TRP 84 -0.374 -11.954 -0.482 630 HB2 TRP 84 1HB TRP 84 0.559 -11.066 2.243 631 HB3 TRP 84 2HB TRP 84 1.306 -12.421 1.401 632 HD1 TRP 84 HD TRP 84 0.539 -8.682 0.658 633 HE1 TRP 84 1HE TRP 84 2.498 -7.738 -0.720 634 HE3 TRP 84 3HE TRP 84 3.323 -12.943 0.179 635 HZ2 TRP 84 2HZ TRP 84 4.904 -8.676 -1.859 636 HZ3 TRP 84 3HZ TRP 84 5.441 -12.835 -1.070 637 HH2 TRP 84 HH TRP 84 6.212 -10.744 -2.068 638 H THR 85 H THR 85 -0.237 -14.189 -0.174 639 HA THR 85 HA THR 85 -1.975 -15.282 1.941 640 HB THR 85 HB THR 85 -2.584 -17.104 0.321 641 HG1 THR 85 1HG THR 85 -2.300 -16.382 -1.956 642 HG21 THR 85 3HG2 THR 85 -3.720 -14.979 -1.175 643 HG22 THR 85 1HG2 THR 85 -3.566 -14.433 0.495 644 HG23 THR 85 2HG2 THR 85 -4.455 -15.912 0.129 645 H SER 86 H SER 86 -1.549 -17.596 2.415 646 HA SER 86 HA SER 86 1.036 -18.060 3.218 647 HB2 SER 86 1HB SER 86 -0.961 -19.343 3.980 648 HB3 SER 86 2HB SER 86 -0.957 -20.204 2.442 649 HG SER 86 HG SER 86 1.458 -20.464 3.287 650 H LYS 87 H LYS 87 -0.350 -18.502 0.078 651 HA LYS 87 HA LYS 87 1.693 -20.239 -0.931 652 HB2 LYS 87 1HB LYS 87 -0.319 -18.525 -2.400 653 HB3 LYS 87 2HB LYS 87 0.684 -19.769 -3.134 654 HG2 LYS 87 1HG LYS 87 -1.035 -20.548 -0.845 655 HG3 LYS 87 2HG LYS 87 -1.809 -20.230 -2.400 656 HD2 LYS 87 1HD LYS 87 0.133 -21.785 -3.287 657 HD3 LYS 87 2HD LYS 87 0.102 -22.379 -1.625 658 HE2 LYS 87 1HE LYS 87 -2.210 -22.977 -1.817 659 HE3 LYS 87 2HE LYS 87 -2.333 -22.193 -3.391 660 HZ1 LYS 87 3HZ LYS 87 -0.264 -24.152 -3.349 661 HZ2 LYS 87 1HZ LYS 87 -1.585 -24.009 -4.396 662 HZ3 LYS 87 2HZ LYS 87 -1.755 -24.828 -2.926 663 H GLY 88 H GLY 88 0.872 -16.842 -1.681 664 HA2 GLY 88 1HA GLY 88 3.582 -15.981 -1.515 665 HA3 GLY 88 2HA GLY 88 3.106 -16.223 -3.189 666 H SER 89 H SER 89 2.766 -14.292 -4.065 667 HA SER 89 HA SER 89 1.140 -12.355 -2.549 668 HB2 SER 89 1HB SER 89 3.364 -11.466 -2.729 669 HB3 SER 89 2HB SER 89 3.439 -11.852 -4.448 670 HG SER 89 HG SER 89 2.622 -9.958 -4.780 671 H GLY 90 H GLY 90 0.067 -10.715 -4.051 672 HA2 GLY 90 1HA GLY 90 -0.877 -12.084 -6.494 673 HA3 GLY 90 2HA GLY 90 -1.985 -11.277 -5.395 674 HA PRO 91 HA PRO 91 -1.202 -8.166 -8.621 675 HB2 PRO 91 1HB PRO 91 -3.590 -6.919 -8.286 676 HB3 PRO 91 2HB PRO 91 -3.395 -8.371 -9.275 677 HG2 PRO 91 1HG PRO 91 -4.393 -8.112 -6.464 678 HG3 PRO 91 2HG PRO 91 -5.025 -9.107 -7.789 679 HD2 PRO 91 1HD PRO 91 -3.467 -10.122 -5.821 680 HD3 PRO 91 2HD PRO 91 -3.438 -10.749 -7.481 681 H LEU 92 H LEU 92 -1.535 -5.702 -8.484 682 HA LEU 92 HA LEU 92 -0.899 -4.795 -5.753 683 HB2 LEU 92 1HB LEU 92 0.393 -4.253 -8.362 684 HB3 LEU 92 2HB LEU 92 0.275 -2.905 -7.233 685 HG LEU 92 HG LEU 92 1.474 -5.526 -6.398 686 HD11 LEU 92 1HD1 LEU 92 2.561 -4.603 -8.501 687 HD12 LEU 92 2HD1 LEU 92 3.613 -4.868 -7.111 688 HD13 LEU 92 3HD1 LEU 92 3.072 -3.237 -7.508 689 HD21 LEU 92 3HD2 LEU 92 2.797 -3.487 -5.155 690 HD22 LEU 92 1HD2 LEU 92 1.434 -4.377 -4.476 691 HD23 LEU 92 2HD2 LEU 92 1.163 -2.836 -5.290 692 H SER 93 H SER 93 -2.373 -3.475 -4.942 693 HA SER 93 HA SER 93 -4.589 -2.496 -6.283 694 HB2 SER 93 1HB SER 93 -5.144 -1.390 -4.314 695 HB3 SER 93 2HB SER 93 -4.041 -2.633 -3.724 696 HG SER 93 HG SER 93 -3.341 0.050 -4.337 697 HA PRO 94 HA PRO 94 -3.313 1.041 -8.547 698 HB2 PRO 94 1HB PRO 94 -5.495 2.639 -8.310 699 HB3 PRO 94 2HB PRO 94 -5.475 1.184 -9.313 700 HG2 PRO 94 1HG PRO 94 -6.567 1.567 -6.552 701 HG3 PRO 94 2HG PRO 94 -7.274 0.694 -7.924 702 HD2 PRO 94 1HD PRO 94 -5.996 -0.568 -5.898 703 HD3 PRO 94 2HD PRO 94 -5.976 -1.177 -7.566 704 H SER 95 H SER 95 -1.756 2.341 -7.806 705 HA SER 95 HA SER 95 -1.405 3.368 -5.303 706 HB2 SER 95 1HB SER 95 -0.247 5.344 -6.708 707 HB3 SER 95 2HB SER 95 0.467 3.738 -6.562 708 HG SER 95 HG SER 95 0.258 3.555 -8.633 709 H ILE 96 H ILE 96 -1.786 5.374 -4.294 710 HA ILE 96 HA ILE 96 -4.201 6.731 -5.275 711 HB ILE 96 HB ILE 96 -4.232 7.658 -2.875 712 HG12 ILE 96 1HG1 ILE 96 -2.456 5.252 -2.426 713 HG13 ILE 96 2HG1 ILE 96 -1.895 6.920 -2.370 714 HG21 ILE 96 1HG2 ILE 96 -5.672 5.980 -2.242 715 HG22 ILE 96 2HG2 ILE 96 -5.600 5.730 -3.985 716 HG23 ILE 96 3HG2 ILE 96 -4.652 4.705 -2.909 717 HD11 ILE 96 3HD1 ILE 96 -3.897 7.089 -0.618 718 HD12 ILE 96 1HD1 ILE 96 -3.490 5.384 -0.422 719 HD13 ILE 96 2HD1 ILE 96 -2.258 6.620 -0.166 720 H GLN 97 H GLN 97 -0.860 7.195 -4.481 721 HA GLN 97 HA GLN 97 0.554 8.955 -4.749 722 HB2 GLN 97 1HB GLN 97 -1.718 9.660 -6.539 723 HB3 GLN 97 2HB GLN 97 -0.548 10.920 -6.171 724 HG2 GLN 97 1HG GLN 97 1.115 9.919 -7.341 725 HG3 GLN 97 2HG GLN 97 0.517 8.293 -7.016 726 HE21 GLN 97 1HE2 GLN 97 -0.007 7.317 -8.826 727 HE22 GLN 97 2HE2 GLN 97 -0.815 8.030 -10.176 728 H SER 98 H SER 98 -0.621 8.885 -2.342 729 HA SER 98 HA SER 98 -2.034 11.234 -1.618 730 HB2 SER 98 1HB SER 98 -1.967 9.068 -0.312 731 HB3 SER 98 2HB SER 98 -0.347 9.523 0.218 732 HG SER 98 HG SER 98 -2.227 11.498 0.542 733 H ARG 99 H ARG 99 -1.107 13.148 -2.085 734 HA ARG 99 HA ARG 99 1.702 13.627 -1.779 735 HB2 ARG 99 1HB ARG 99 0.461 14.790 -3.512 736 HB3 ARG 99 2HB ARG 99 -0.600 15.511 -2.309 737 HG2 ARG 99 1HG ARG 99 1.242 16.793 -1.405 738 HG3 ARG 99 2HG ARG 99 2.359 16.018 -2.529 739 HD2 ARG 99 1HD ARG 99 0.609 16.937 -4.300 740 HD3 ARG 99 2HD ARG 99 0.305 18.106 -3.017 741 HE ARG 99 HE ARG 99 3.015 18.084 -3.266 742 HH11 ARG 99 1HH1 ARG 99 0.363 18.587 -5.464 743 HH12 ARG 99 2HH1 ARG 99 1.250 19.659 -6.496 744 HH21 ARG 99 1HH2 ARG 99 4.194 19.495 -4.617 745 HH22 ARG 99 2HH2 ARG 99 3.430 20.174 -6.013 746 H THR 100 H THR 100 2.633 13.866 0.136 747 HA THR 100 HA THR 100 1.479 14.167 2.586 748 HB THR 100 HB THR 100 3.611 15.041 3.421 749 HG1 THR 100 1HG THR 100 4.098 15.460 0.656 750 HG21 THR 100 3HG2 THR 100 3.650 12.814 1.414 751 HG22 THR 100 1HG2 THR 100 3.709 12.728 3.174 752 HG23 THR 100 2HG2 THR 100 5.121 13.276 2.270 753 H MET 101 H MET 101 1.047 15.884 3.999 754 HA MET 101 HA MET 101 -0.156 18.149 2.848 755 HB2 MET 101 1HB MET 101 -0.808 18.707 4.978 756 HB3 MET 101 2HB MET 101 -0.452 17.000 5.204 757 HG2 MET 101 1HG MET 101 1.668 17.502 6.181 758 HG3 MET 101 2HG MET 101 1.501 19.210 5.783 759 HE1 MET 101 3HE MET 101 -0.224 16.301 7.228 760 HE2 MET 101 1HE MET 101 -0.311 16.665 8.952 761 HE3 MET 101 2HE MET 101 -1.653 17.095 7.891 762 HA PRO 102 HA PRO 102 3.289 20.827 2.210 763 HB2 PRO 102 1HB PRO 102 1.939 23.179 2.067 764 HB3 PRO 102 2HB PRO 102 1.923 21.981 0.767 765 HG2 PRO 102 1HG PRO 102 -0.117 22.491 2.898 766 HG3 PRO 102 2HG PRO 102 -0.359 22.172 1.170 767 HD2 PRO 102 1HD PRO 102 -0.680 20.263 3.063 768 HD3 PRO 102 2HD PRO 102 -0.101 19.896 1.425 769 H VAL 103 H VAL 103 4.442 20.748 4.131 770 HA VAL 103 HA VAL 103 3.819 21.531 6.642 771 HB VAL 103 HB VAL 103 5.975 20.642 6.318 772 HG11 VAL 103 1HG1 VAL 103 6.989 21.007 4.371 773 HG12 VAL 103 2HG1 VAL 103 6.046 22.471 4.082 774 HG13 VAL 103 3HG1 VAL 103 7.534 22.550 5.027 775 HG21 VAL 103 3HG2 VAL 103 7.083 23.274 6.840 776 HG22 VAL 103 1HG2 VAL 103 5.600 22.977 7.748 777 HG23 VAL 103 2HG2 VAL 103 6.963 21.868 7.899 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.651 -14.708 -3.071 2 HA2 GLY 1 1HA GLY 1 11.242 -13.036 -4.732 3 HA3 GLY 1 2HA GLY 1 11.671 -14.486 -5.627 4 H SER 2 H SER 2 10.436 -14.516 -7.390 5 HA SER 2 HA SER 2 7.757 -13.474 -7.396 6 HB2 SER 2 1HB SER 2 7.752 -14.276 -9.776 7 HB3 SER 2 2HB SER 2 9.080 -13.182 -9.390 8 HG SER 2 HG SER 2 10.285 -14.720 -10.157 9 H SER 3 H SER 3 5.841 -14.606 -7.655 10 HA SER 3 HA SER 3 5.938 -17.376 -6.726 11 HB2 SER 3 1HB SER 3 3.686 -17.113 -6.041 12 HB3 SER 3 2HB SER 3 4.464 -15.581 -5.645 13 HG SER 3 HG SER 3 2.899 -16.120 -7.952 14 H GLY 4 H GLY 4 4.167 -18.833 -7.656 15 HA2 GLY 4 1HA GLY 4 4.231 -18.559 -10.595 16 HA3 GLY 4 2HA GLY 4 4.220 -20.094 -9.740 17 H SER 5 H SER 5 2.352 -21.122 -9.856 18 HA SER 5 HA SER 5 -0.060 -19.701 -10.582 19 HB2 SER 5 1HB SER 5 0.371 -22.646 -10.022 20 HB3 SER 5 2HB SER 5 -1.074 -21.932 -10.737 21 HG SER 5 HG SER 5 0.307 -21.188 -12.457 22 H SER 6 H SER 6 0.595 -18.690 -8.225 23 HA SER 6 HA SER 6 -1.532 -19.652 -6.490 24 HB2 SER 6 1HB SER 6 1.339 -19.420 -5.558 25 HB3 SER 6 2HB SER 6 -0.046 -19.639 -4.490 26 HG SER 6 HG SER 6 -0.241 -21.669 -5.126 27 H GLY 7 H GLY 7 -1.429 -18.130 -4.380 28 HA2 GLY 7 1HA GLY 7 -1.267 -15.950 -3.526 29 HA3 GLY 7 2HA GLY 7 -0.673 -15.405 -5.088 30 HA PRO 8 HA PRO 8 -5.299 -14.486 -4.407 31 HB2 PRO 8 1HB PRO 8 -5.106 -11.834 -3.860 32 HB3 PRO 8 2HB PRO 8 -5.088 -13.077 -2.604 33 HG2 PRO 8 1HG PRO 8 -2.796 -11.611 -3.852 34 HG3 PRO 8 2HG PRO 8 -3.074 -12.009 -2.147 35 HD2 PRO 8 1HD PRO 8 -1.397 -13.438 -3.721 36 HD3 PRO 8 2HD PRO 8 -2.326 -14.174 -2.400 37 H SER 9 H SER 9 -6.560 -13.588 -6.007 38 HA SER 9 HA SER 9 -5.096 -12.486 -8.303 39 HB2 SER 9 1HB SER 9 -7.743 -13.922 -8.084 40 HB3 SER 9 2HB SER 9 -7.236 -13.089 -9.553 41 HG SER 9 HG SER 9 -5.421 -14.862 -8.415 42 H GLY 10 H GLY 10 -7.011 -11.514 -5.756 43 HA2 GLY 10 1HA GLY 10 -7.946 -9.147 -7.261 44 HA3 GLY 10 2HA GLY 10 -8.840 -9.848 -5.920 45 H PHE 11 H PHE 11 -8.060 -7.141 -6.071 46 HA PHE 11 HA PHE 11 -6.006 -6.995 -3.965 47 HB2 PHE 11 1HB PHE 11 -5.921 -4.516 -4.746 48 HB3 PHE 11 2HB PHE 11 -5.131 -5.746 -5.726 49 HD1 PHE 11 2HD PHE 11 -6.211 -6.542 -7.809 50 HD2 PHE 11 1HD PHE 11 -7.746 -3.261 -5.574 51 HE1 PHE 11 2HE PHE 11 -7.530 -5.835 -9.761 52 HE2 PHE 11 1HE PHE 11 -9.070 -2.549 -7.523 53 HZ PHE 11 HZ PHE 11 -8.962 -3.836 -9.620 54 HA PRO 12 HA PRO 12 -8.905 -5.341 -1.118 55 HB2 PRO 12 1HB PRO 12 -7.398 -3.526 0.225 56 HB3 PRO 12 2HB PRO 12 -7.198 -5.272 0.417 57 HG2 PRO 12 1HG PRO 12 -5.607 -3.354 -1.242 58 HG3 PRO 12 2HG PRO 12 -5.039 -4.683 -0.215 59 HD2 PRO 12 1HD PRO 12 -5.243 -4.906 -2.906 60 HD3 PRO 12 2HD PRO 12 -5.499 -6.281 -1.812 61 H GLN 13 H GLN 13 -9.865 -3.263 -0.296 62 HA GLN 13 HA GLN 13 -9.717 -1.116 -2.300 63 HB2 GLN 13 1HB GLN 13 -12.325 -1.857 -1.018 64 HB3 GLN 13 2HB GLN 13 -12.038 -0.953 -2.499 65 HG2 GLN 13 1HG GLN 13 -11.201 -3.806 -2.363 66 HG3 GLN 13 2HG GLN 13 -12.908 -3.416 -2.570 67 HE21 GLN 13 1HE2 GLN 13 -12.294 -4.689 -4.590 68 HE22 GLN 13 2HE2 GLN 13 -11.815 -3.752 -5.959 69 H ASN 14 H ASN 14 -11.317 0.747 -1.314 70 HA ASN 14 HA ASN 14 -11.501 2.408 0.229 71 HB2 ASN 14 1HB ASN 14 -11.318 -0.044 1.905 72 HB3 ASN 14 2HB ASN 14 -11.094 1.505 2.714 73 HD21 ASN 14 1HD2 ASN 14 -13.219 0.280 0.145 74 HD22 ASN 14 2HD2 ASN 14 -14.687 0.841 0.861 75 H LEU 15 H LEU 15 -8.885 1.631 -0.958 76 HA LEU 15 HA LEU 15 -6.881 2.141 1.022 77 HB2 LEU 15 1HB LEU 15 -6.577 0.830 -1.111 78 HB3 LEU 15 2HB LEU 15 -6.589 2.372 -1.964 79 HG LEU 15 HG LEU 15 -4.592 3.049 -0.639 80 HD11 LEU 15 1HD1 LEU 15 -3.356 0.958 0.312 81 HD12 LEU 15 2HD1 LEU 15 -4.987 0.308 0.468 82 HD13 LEU 15 3HD1 LEU 15 -4.552 1.804 1.293 83 HD21 LEU 15 3HD2 LEU 15 -3.142 2.088 -2.121 84 HD22 LEU 15 1HD2 LEU 15 -4.671 1.755 -2.934 85 HD23 LEU 15 2HD2 LEU 15 -3.884 0.493 -1.986 86 H HIS 16 H HIS 16 -6.510 4.056 1.903 87 HA HIS 16 HA HIS 16 -6.086 6.394 0.340 88 HB2 HIS 16 1HB HIS 16 -7.921 7.734 1.507 89 HB3 HIS 16 2HB HIS 16 -8.434 6.645 0.221 90 HD1 HIS 16 1HD HIS 16 -10.140 4.910 0.814 91 HD2 HIS 16 2HD HIS 16 -8.479 6.717 4.166 92 HE1 HIS 16 1HE HIS 16 -11.487 4.074 2.766 93 HE2 HIS 16 2HE HIS 16 -10.519 5.247 4.773 94 H VAL 17 H VAL 17 -6.100 8.397 2.014 95 HA VAL 17 HA VAL 17 -4.470 7.472 4.282 96 HB VAL 17 HB VAL 17 -4.503 10.206 2.997 97 HG11 VAL 17 1HG1 VAL 17 -2.145 9.965 4.346 98 HG12 VAL 17 2HG1 VAL 17 -3.584 10.782 4.960 99 HG13 VAL 17 3HG1 VAL 17 -3.261 9.107 5.409 100 HG21 VAL 17 3HG2 VAL 17 -3.357 9.172 1.366 101 HG22 VAL 17 1HG2 VAL 17 -2.031 9.158 2.529 102 HG23 VAL 17 2HG2 VAL 17 -3.062 7.738 2.350 103 H THR 18 H THR 18 -5.045 7.929 6.323 104 HA THR 18 HA THR 18 -7.563 9.366 6.729 105 HB THR 18 HB THR 18 -7.391 7.116 7.707 106 HG1 THR 18 1HG THR 18 -7.351 8.965 9.853 107 HG21 THR 18 3HG2 THR 18 -4.889 7.330 8.137 108 HG22 THR 18 1HG2 THR 18 -5.843 6.546 9.396 109 HG23 THR 18 2HG2 THR 18 -5.324 8.220 9.596 110 H GLY 19 H GLY 19 -4.260 9.917 6.907 111 HA2 GLY 19 1HA GLY 19 -4.486 12.523 7.875 112 HA3 GLY 19 2HA GLY 19 -4.066 11.502 9.243 113 H LEU 20 H LEU 20 -3.028 12.502 6.016 114 HA LEU 20 HA LEU 20 -0.471 11.301 6.126 115 HB2 LEU 20 1HB LEU 20 -0.086 12.276 4.108 116 HB3 LEU 20 2HB LEU 20 -1.846 12.353 4.147 117 HG LEU 20 HG LEU 20 0.145 14.569 4.473 118 HD11 LEU 20 1HD1 LEU 20 -1.540 13.651 2.407 119 HD12 LEU 20 2HD1 LEU 20 -0.522 15.091 2.427 120 HD13 LEU 20 3HD1 LEU 20 -2.197 15.187 2.970 121 HD21 LEU 20 3HD2 LEU 20 -1.113 15.339 6.170 122 HD22 LEU 20 1HD2 LEU 20 -2.479 14.297 5.769 123 HD23 LEU 20 2HD2 LEU 20 -2.229 15.803 4.885 124 H THR 21 H THR 21 1.549 12.788 5.876 125 HA THR 21 HA THR 21 1.492 15.070 7.689 126 HB THR 21 HB THR 21 3.644 13.060 8.191 127 HG1 THR 21 1HG THR 21 2.042 12.399 9.978 128 HG21 THR 21 3HG2 THR 21 3.175 15.524 9.181 129 HG22 THR 21 1HG2 THR 21 4.015 14.259 10.077 130 HG23 THR 21 2HG2 THR 21 2.298 14.547 10.358 131 H THR 22 H THR 22 3.336 16.431 7.523 132 HA THR 22 HA THR 22 4.275 17.015 5.054 133 HB THR 22 HB THR 22 6.200 18.149 6.099 134 HG1 THR 22 1HG THR 22 6.955 17.281 7.867 135 HG21 THR 22 3HG2 THR 22 3.683 18.900 6.273 136 HG22 THR 22 1HG2 THR 22 4.946 19.775 7.137 137 HG23 THR 22 2HG2 THR 22 3.941 18.606 7.993 138 H SER 23 H SER 23 5.908 14.883 7.389 139 HA SER 23 HA SER 23 7.698 13.985 5.240 140 HB2 SER 23 1HB SER 23 8.772 12.821 7.396 141 HB3 SER 23 2HB SER 23 9.136 14.489 6.954 142 HG SER 23 HG SER 23 7.545 13.494 9.024 143 H THR 24 H THR 24 5.577 12.766 7.806 144 HA THR 24 HA THR 24 5.713 10.077 6.668 145 HB THR 24 HB THR 24 4.727 9.265 8.651 146 HG1 THR 24 1HG THR 24 3.036 10.655 8.995 147 HG21 THR 24 3HG2 THR 24 6.278 9.857 10.263 148 HG22 THR 24 1HG2 THR 24 6.258 11.560 9.807 149 HG23 THR 24 2HG2 THR 24 7.083 10.384 8.785 150 H THR 25 H THR 25 3.657 8.854 6.455 151 HA THR 25 HA THR 25 1.311 10.491 5.866 152 HB THR 25 HB THR 25 2.816 8.872 3.840 153 HG1 THR 25 1HG THR 25 3.012 10.814 3.043 154 HG21 THR 25 3HG2 THR 25 0.605 7.876 3.843 155 HG22 THR 25 1HG2 THR 25 0.799 8.882 2.409 156 HG23 THR 25 2HG2 THR 25 -0.144 9.471 3.778 157 H GLU 26 H GLU 26 -0.355 9.575 6.854 158 HA GLU 26 HA GLU 26 -0.251 6.843 7.742 159 HB2 GLU 26 1HB GLU 26 -2.312 9.027 7.983 160 HB3 GLU 26 2HB GLU 26 -2.611 7.393 8.560 161 HG2 GLU 26 1HG GLU 26 -0.414 7.703 9.877 162 HG3 GLU 26 2HG GLU 26 -0.664 9.421 9.571 163 H LEU 27 H LEU 27 -2.065 5.329 7.356 164 HA LEU 27 HA LEU 27 -3.475 5.680 4.831 165 HB2 LEU 27 1HB LEU 27 -1.723 3.283 5.349 166 HB3 LEU 27 2HB LEU 27 -2.715 3.573 3.921 167 HG LEU 27 HG LEU 27 -0.319 5.220 4.729 168 HD11 LEU 27 1HD1 LEU 27 -0.631 3.042 2.672 169 HD12 LEU 27 2HD1 LEU 27 0.419 3.032 4.088 170 HD13 LEU 27 3HD1 LEU 27 0.743 4.144 2.758 171 HD21 LEU 27 3HD2 LEU 27 -1.606 5.224 2.034 172 HD22 LEU 27 1HD2 LEU 27 -0.619 6.462 2.811 173 HD23 LEU 27 2HD2 LEU 27 -2.285 6.207 3.332 174 H ALA 28 H ALA 28 -5.050 3.894 4.450 175 HA ALA 28 HA ALA 28 -5.749 2.111 6.547 176 HB1 ALA 28 3HB ALA 28 -8.070 3.410 6.794 177 HB2 ALA 28 1HB ALA 28 -6.697 3.690 7.866 178 HB3 ALA 28 2HB ALA 28 -7.004 4.789 6.520 179 H TRP 29 H TRP 29 -6.249 0.478 5.225 180 HA TRP 29 HA TRP 29 -8.305 0.959 3.171 181 HB2 TRP 29 1HB TRP 29 -7.212 -0.720 1.747 182 HB3 TRP 29 2HB TRP 29 -6.129 0.626 2.094 183 HD1 TRP 29 HD TRP 29 -6.551 -3.106 2.687 184 HE1 TRP 29 1HE TRP 29 -4.380 -4.042 3.703 185 HE3 TRP 29 3HE TRP 29 -4.114 1.296 3.590 186 HZ2 TRP 29 2HZ TRP 29 -1.955 -3.046 4.750 187 HZ3 TRP 29 3HZ TRP 29 -1.873 1.217 4.602 188 HH2 TRP 29 HH TRP 29 -0.818 -0.910 5.170 189 H ASP 30 H ASP 30 -8.977 -1.463 2.374 190 HA ASP 30 HA ASP 30 -9.608 -2.982 4.818 191 HB2 ASP 30 1HB ASP 30 -11.412 -1.918 2.712 192 HB3 ASP 30 2HB ASP 30 -11.763 -3.536 3.312 193 HA PRO 31 HA PRO 31 -8.300 -6.639 2.784 194 HB2 PRO 31 1HB PRO 31 -10.149 -8.466 3.567 195 HB3 PRO 31 2HB PRO 31 -8.926 -7.807 4.661 196 HG2 PRO 31 1HG PRO 31 -11.800 -7.032 4.344 197 HG3 PRO 31 2HG PRO 31 -10.858 -7.252 5.830 198 HD2 PRO 31 1HD PRO 31 -11.376 -4.810 4.781 199 HD3 PRO 31 2HD PRO 31 -9.880 -5.171 5.668 200 HA PRO 32 HA PRO 32 -10.372 -7.278 -1.044 201 HB2 PRO 32 1HB PRO 32 -9.708 -9.850 -1.603 202 HB3 PRO 32 2HB PRO 32 -8.551 -8.517 -1.697 203 HG2 PRO 32 1HG PRO 32 -8.963 -10.518 0.492 204 HG3 PRO 32 2HG PRO 32 -7.447 -9.909 -0.196 205 HD2 PRO 32 1HD PRO 32 -8.455 -8.996 2.145 206 HD3 PRO 32 2HD PRO 32 -7.518 -7.966 1.043 207 H VAL 33 H VAL 33 -12.453 -7.596 -1.497 208 HA VAL 33 HA VAL 33 -14.355 -8.682 0.114 209 HB VAL 33 HB VAL 33 -15.777 -8.989 -1.897 210 HG11 VAL 33 1HG1 VAL 33 -16.133 -6.767 -2.073 211 HG12 VAL 33 2HG1 VAL 33 -14.942 -6.688 -0.773 212 HG13 VAL 33 3HG1 VAL 33 -14.445 -6.417 -2.443 213 HG21 VAL 33 3HG2 VAL 33 -14.933 -9.279 -3.937 214 HG22 VAL 33 1HG2 VAL 33 -13.941 -7.828 -3.797 215 HG23 VAL 33 2HG2 VAL 33 -13.337 -9.370 -3.191 216 H LEU 34 H LEU 34 -15.095 -10.652 0.652 217 HA LEU 34 HA LEU 34 -13.650 -12.939 0.495 218 HB2 LEU 34 1HB LEU 34 -15.543 -14.126 1.182 219 HB3 LEU 34 2HB LEU 34 -15.787 -12.489 1.789 220 HG LEU 34 HG LEU 34 -17.178 -12.205 -0.414 221 HD11 LEU 34 1HD1 LEU 34 -17.919 -15.030 -0.041 222 HD12 LEU 34 2HD1 LEU 34 -16.391 -14.739 -0.872 223 HD13 LEU 34 3HD1 LEU 34 -17.884 -14.044 -1.503 224 HD21 LEU 34 3HD2 LEU 34 -18.766 -13.856 1.359 225 HD22 LEU 34 1HD2 LEU 34 -18.888 -12.131 1.009 226 HD23 LEU 34 2HD2 LEU 34 -17.769 -12.703 2.247 227 H ALA 35 H ALA 35 -15.901 -11.721 -1.921 228 HA ALA 35 HA ALA 35 -16.038 -13.984 -3.564 229 HB1 ALA 35 3HB ALA 35 -17.604 -12.447 -4.175 230 HB2 ALA 35 1HB ALA 35 -16.517 -11.078 -3.938 231 HB3 ALA 35 2HB ALA 35 -16.369 -12.084 -5.380 232 H GLU 36 H GLU 36 -13.713 -11.323 -3.467 233 HA GLU 36 HA GLU 36 -12.154 -12.619 -5.587 234 HB2 GLU 36 1HB GLU 36 -11.766 -9.886 -4.355 235 HB3 GLU 36 2HB GLU 36 -10.935 -10.524 -5.767 236 HG2 GLU 36 1HG GLU 36 -13.153 -10.678 -6.904 237 HG3 GLU 36 2HG GLU 36 -13.849 -9.828 -5.525 238 H ARG 37 H ARG 37 -12.087 -14.036 -3.288 239 HA ARG 37 HA ARG 37 -9.392 -13.471 -2.243 240 HB2 ARG 37 1HB ARG 37 -11.892 -14.249 -0.795 241 HB3 ARG 37 2HB ARG 37 -10.339 -14.789 -0.172 242 HG2 ARG 37 1HG ARG 37 -9.592 -12.432 -0.107 243 HG3 ARG 37 2HG ARG 37 -11.210 -11.943 -0.613 244 HD2 ARG 37 1HD ARG 37 -11.407 -11.736 1.659 245 HD3 ARG 37 2HD ARG 37 -11.943 -13.401 1.443 246 HE ARG 37 HE ARG 37 -9.147 -13.295 1.891 247 HH11 ARG 37 1HH1 ARG 37 -12.211 -13.008 3.520 248 HH12 ARG 37 2HH1 ARG 37 -11.591 -13.521 5.054 249 HH21 ARG 37 1HH2 ARG 37 -8.319 -13.972 3.906 250 HH22 ARG 37 2HH2 ARG 37 -9.377 -14.068 5.273 251 H ASN 38 H ASN 38 -8.176 -14.905 -3.340 252 HA ASN 38 HA ASN 38 -9.118 -17.574 -3.900 253 HB2 ASN 38 1HB ASN 38 -6.691 -15.975 -4.580 254 HB3 ASN 38 2HB ASN 38 -6.582 -17.730 -4.669 255 HD21 ASN 38 1HD2 ASN 38 -8.951 -15.234 -5.550 256 HD22 ASN 38 2HD2 ASN 38 -9.240 -15.834 -7.144 257 H GLY 39 H GLY 39 -9.209 -17.315 -1.223 258 HA2 GLY 39 1HA GLY 39 -8.367 -19.351 0.071 259 HA3 GLY 39 2HA GLY 39 -6.780 -18.653 -0.220 260 H ARG 40 H ARG 40 -5.980 -17.440 1.354 261 HA ARG 40 HA ARG 40 -7.804 -15.887 3.037 262 HB2 ARG 40 1HB ARG 40 -5.700 -17.795 4.072 263 HB3 ARG 40 2HB ARG 40 -6.535 -16.607 5.064 264 HG2 ARG 40 1HG ARG 40 -8.642 -17.696 4.694 265 HG3 ARG 40 2HG ARG 40 -7.906 -18.811 3.542 266 HD2 ARG 40 1HD ARG 40 -6.614 -19.847 5.258 267 HD3 ARG 40 2HD ARG 40 -7.068 -18.607 6.427 268 HE ARG 40 HE ARG 40 -9.303 -20.061 5.353 269 HH11 ARG 40 1HH1 ARG 40 -6.832 -20.006 7.805 270 HH12 ARG 40 2HH1 ARG 40 -7.714 -21.016 8.901 271 HH21 ARG 40 1HH2 ARG 40 -10.475 -21.392 6.788 272 HH22 ARG 40 2HH2 ARG 40 -9.786 -21.805 8.321 273 H ILE 41 H ILE 41 -6.438 -14.458 4.581 274 HA ILE 41 HA ILE 41 -4.203 -13.347 3.015 275 HB ILE 41 HB ILE 41 -5.923 -11.842 4.984 276 HG12 ILE 41 1HG1 ILE 41 -7.378 -12.465 3.195 277 HG13 ILE 41 2HG1 ILE 41 -6.908 -10.794 2.906 278 HG21 ILE 41 1HG2 ILE 41 -3.997 -10.610 4.816 279 HG22 ILE 41 2HG2 ILE 41 -3.675 -11.135 3.164 280 HG23 ILE 41 3HG2 ILE 41 -4.928 -9.934 3.480 281 HD11 ILE 41 3HD1 ILE 41 -5.778 -13.227 1.544 282 HD12 ILE 41 1HD1 ILE 41 -6.888 -12.048 0.846 283 HD13 ILE 41 2HD1 ILE 41 -5.246 -11.567 1.276 284 H ILE 42 H ILE 42 -2.359 -12.607 4.103 285 HA ILE 42 HA ILE 42 -2.113 -13.484 6.905 286 HB ILE 42 HB ILE 42 0.383 -13.832 6.240 287 HG12 ILE 42 1HG1 ILE 42 -0.960 -14.317 3.574 288 HG13 ILE 42 2HG1 ILE 42 0.036 -12.911 3.934 289 HG21 ILE 42 1HG2 ILE 42 -1.842 -15.732 5.530 290 HG22 ILE 42 2HG2 ILE 42 -0.142 -16.194 5.593 291 HG23 ILE 42 3HG2 ILE 42 -0.956 -15.629 7.051 292 HD11 ILE 42 3HD1 ILE 42 1.795 -14.751 4.594 293 HD12 ILE 42 1HD1 ILE 42 0.825 -15.736 3.499 294 HD13 ILE 42 2HD1 ILE 42 1.570 -14.246 2.920 295 H SER 43 H SER 43 -1.126 -11.223 4.404 296 HA SER 43 HA SER 43 -0.857 -9.082 6.231 297 HB2 SER 43 1HB SER 43 1.533 -8.695 6.142 298 HB3 SER 43 2HB SER 43 1.247 -10.321 6.760 299 HG SER 43 HG SER 43 1.437 -10.771 4.288 300 H TYR 44 H TYR 44 0.440 -7.203 5.039 301 HA TYR 44 HA TYR 44 -0.159 -7.295 2.167 302 HB2 TYR 44 1HB TYR 44 -1.009 -5.100 4.067 303 HB3 TYR 44 2HB TYR 44 -1.126 -5.010 2.313 304 HD1 TYR 44 2HD TYR 44 -2.202 -7.187 5.153 305 HD2 TYR 44 1HD TYR 44 -3.119 -5.614 1.307 306 HE1 TYR 44 2HE TYR 44 -4.418 -8.249 5.253 307 HE2 TYR 44 1HE TYR 44 -5.339 -6.671 1.398 308 HH TYR 44 HH TYR 44 -6.738 -7.773 4.140 309 H THR 45 H THR 45 0.957 -5.682 0.909 310 HA THR 45 HA THR 45 3.403 -4.700 2.231 311 HB THR 45 HB THR 45 3.090 -5.628 -0.631 312 HG1 THR 45 1HG THR 45 4.460 -7.319 0.064 313 HG21 THR 45 3HG2 THR 45 5.683 -4.936 0.706 314 HG22 THR 45 1HG2 THR 45 4.716 -3.689 -0.080 315 HG23 THR 45 2HG2 THR 45 5.317 -5.059 -1.014 316 H VAL 46 H VAL 46 3.113 -2.577 2.542 317 HA VAL 46 HA VAL 46 1.619 -0.957 0.677 318 HB VAL 46 HB VAL 46 3.157 -0.191 3.161 319 HG11 VAL 46 1HG1 VAL 46 1.708 1.410 1.132 320 HG12 VAL 46 2HG1 VAL 46 1.481 1.851 2.826 321 HG13 VAL 46 3HG1 VAL 46 3.101 1.832 2.127 322 HG21 VAL 46 3HG2 VAL 46 0.432 -1.160 2.653 323 HG22 VAL 46 1HG2 VAL 46 1.399 -1.206 4.127 324 HG23 VAL 46 2HG2 VAL 46 0.532 0.265 3.687 325 H VAL 47 H VAL 47 2.698 -0.774 -1.236 326 HA VAL 47 HA VAL 47 5.515 -0.030 -1.246 327 HB VAL 47 HB VAL 47 3.642 -0.543 -3.562 328 HG11 VAL 47 1HG1 VAL 47 6.189 0.692 -3.479 329 HG12 VAL 47 2HG1 VAL 47 6.390 -0.903 -4.209 330 HG13 VAL 47 3HG1 VAL 47 5.235 0.242 -4.892 331 HG21 VAL 47 3HG2 VAL 47 4.319 -2.441 -1.895 332 HG22 VAL 47 1HG2 VAL 47 4.377 -2.724 -3.634 333 HG23 VAL 47 2HG2 VAL 47 5.860 -2.369 -2.749 334 H PHE 48 H PHE 48 6.043 2.039 -1.070 335 HA PHE 48 HA PHE 48 4.306 4.046 -2.352 336 HB2 PHE 48 1HB PHE 48 5.044 5.637 -0.604 337 HB3 PHE 48 2HB PHE 48 4.177 4.259 0.068 338 HD1 PHE 48 2HD PHE 48 5.610 2.314 0.962 339 HD2 PHE 48 1HD PHE 48 7.116 6.228 0.234 340 HE1 PHE 48 2HE PHE 48 7.496 1.866 2.477 341 HE2 PHE 48 1HE PHE 48 9.006 5.786 1.747 342 HZ PHE 48 HZ PHE 48 9.197 3.603 2.872 343 H ARG 49 H ARG 49 5.259 5.631 -3.568 344 HA ARG 49 HA ARG 49 8.115 5.992 -3.608 345 HB2 ARG 49 1HB ARG 49 8.046 4.050 -5.007 346 HB3 ARG 49 2HB ARG 49 6.691 4.690 -5.928 347 HG2 ARG 49 1HG ARG 49 8.254 6.569 -6.626 348 HG3 ARG 49 2HG ARG 49 9.556 5.575 -5.969 349 HD2 ARG 49 1HD ARG 49 9.327 5.217 -8.363 350 HD3 ARG 49 2HD ARG 49 8.917 3.752 -7.473 351 HE ARG 49 HE ARG 49 6.515 4.904 -7.812 352 HH11 ARG 49 1HH1 ARG 49 9.119 4.229 -10.022 353 HH12 ARG 49 2HH1 ARG 49 8.078 4.022 -11.391 354 HH21 ARG 49 1HH2 ARG 49 5.133 4.634 -9.607 355 HH22 ARG 49 2HH2 ARG 49 5.811 4.253 -11.154 356 H ASP 50 H ASP 50 8.681 7.965 -4.388 357 HA ASP 50 HA ASP 50 6.596 9.867 -4.833 358 HB2 ASP 50 1HB ASP 50 8.516 10.654 -3.674 359 HB3 ASP 50 2HB ASP 50 9.606 10.045 -4.917 360 H ILE 51 H ILE 51 5.551 10.093 -6.688 361 HA ILE 51 HA ILE 51 6.367 8.992 -9.139 362 HB ILE 51 HB ILE 51 4.550 10.269 -10.157 363 HG12 ILE 51 1HG1 ILE 51 4.063 11.546 -7.470 364 HG13 ILE 51 2HG1 ILE 51 5.031 12.332 -8.712 365 HG21 ILE 51 1HG2 ILE 51 3.928 8.243 -9.056 366 HG22 ILE 51 2HG2 ILE 51 3.914 9.039 -7.483 367 HG23 ILE 51 3HG2 ILE 51 2.699 9.454 -8.691 368 HD11 ILE 51 3HD1 ILE 51 3.170 12.438 -10.193 369 HD12 ILE 51 1HD1 ILE 51 2.193 11.433 -9.123 370 HD13 ILE 51 2HD1 ILE 51 2.657 13.061 -8.625 371 H ASN 52 H ASN 52 7.549 11.675 -7.546 372 HA ASN 52 HA ASN 52 8.322 13.045 -10.024 373 HB2 ASN 52 1HB ASN 52 8.476 13.945 -7.139 374 HB3 ASN 52 2HB ASN 52 9.025 14.896 -8.515 375 HD21 ASN 52 1HD2 ASN 52 6.222 13.428 -7.002 376 HD22 ASN 52 2HD2 ASN 52 5.052 14.480 -7.716 377 H SER 53 H SER 53 9.474 10.738 -7.957 378 HA SER 53 HA SER 53 12.254 11.341 -8.709 379 HB2 SER 53 1HB SER 53 11.137 10.755 -6.012 380 HB3 SER 53 2HB SER 53 12.699 10.042 -6.413 381 HG SER 53 HG SER 53 13.092 12.038 -5.531 382 H GLN 54 H GLN 54 13.645 9.273 -8.249 383 HA GLN 54 HA GLN 54 12.175 6.989 -9.384 384 HB2 GLN 54 1HB GLN 54 14.953 8.018 -9.822 385 HB3 GLN 54 2HB GLN 54 14.608 6.312 -10.073 386 HG2 GLN 54 1HG GLN 54 13.332 6.694 -11.916 387 HG3 GLN 54 2HG GLN 54 12.820 8.289 -11.369 388 HE21 GLN 54 1HE2 GLN 54 13.443 9.706 -12.834 389 HE22 GLN 54 2HE2 GLN 54 15.011 9.800 -13.554 390 H GLN 55 H GLN 55 12.317 7.535 -6.575 391 HA GLN 55 HA GLN 55 14.066 5.359 -5.644 392 HB2 GLN 55 1HB GLN 55 14.622 7.426 -4.559 393 HB3 GLN 55 2HB GLN 55 12.934 7.745 -4.184 394 HG2 GLN 55 1HG GLN 55 14.032 7.028 -2.193 395 HG3 GLN 55 2HG GLN 55 12.934 5.752 -2.715 396 HE21 GLN 55 1HE2 GLN 55 13.875 3.946 -3.887 397 HE22 GLN 55 2HE2 GLN 55 15.487 3.451 -3.513 398 H GLU 56 H GLU 56 12.757 3.597 -5.931 399 HA GLU 56 HA GLU 56 10.011 3.621 -5.039 400 HB2 GLU 56 1HB GLU 56 10.858 2.332 -7.041 401 HB3 GLU 56 2HB GLU 56 11.642 1.237 -5.912 402 HG2 GLU 56 1HG GLU 56 9.507 0.622 -4.966 403 HG3 GLU 56 2HG GLU 56 8.685 1.790 -6.000 404 H LEU 57 H LEU 57 9.171 2.661 -3.239 405 HA LEU 57 HA LEU 57 10.881 1.104 -1.482 406 HB2 LEU 57 1HB LEU 57 9.493 3.549 -0.414 407 HB3 LEU 57 2HB LEU 57 10.623 2.491 0.428 408 HG LEU 57 HG LEU 57 11.523 4.063 -1.955 409 HD11 LEU 57 1HD1 LEU 57 11.880 5.209 0.759 410 HD12 LEU 57 2HD1 LEU 57 10.322 5.431 -0.037 411 HD13 LEU 57 3HD1 LEU 57 11.797 6.011 -0.810 412 HD21 LEU 57 3HD2 LEU 57 13.243 2.693 -1.369 413 HD22 LEU 57 1HD2 LEU 57 12.745 2.604 0.321 414 HD23 LEU 57 2HD2 LEU 57 13.581 4.037 -0.278 415 H GLN 58 H GLN 58 9.640 0.256 0.412 416 HA GLN 58 HA GLN 58 6.770 0.317 0.280 417 HB2 GLN 58 1HB GLN 58 6.414 -2.016 -0.227 418 HB3 GLN 58 2HB GLN 58 7.340 -1.283 -1.531 419 HG2 GLN 58 1HG GLN 58 9.386 -2.180 -0.164 420 HG3 GLN 58 2HG GLN 58 8.182 -3.281 0.505 421 HE21 GLN 58 1HE2 GLN 58 10.425 -4.010 -1.074 422 HE22 GLN 58 2HE2 GLN 58 9.829 -4.730 -2.527 423 H ASN 59 H ASN 59 5.866 -1.424 1.861 424 HA ASN 59 HA ASN 59 7.694 -2.013 4.050 425 HB2 ASN 59 1HB ASN 59 5.380 -0.104 4.238 426 HB3 ASN 59 2HB ASN 59 5.902 -1.021 5.648 427 HD21 ASN 59 1HD2 ASN 59 8.512 -1.016 5.644 428 HD22 ASN 59 2HD2 ASN 59 9.166 0.583 5.643 429 H ILE 60 H ILE 60 6.476 -3.220 5.837 430 HA ILE 60 HA ILE 60 4.281 -4.824 4.720 431 HB ILE 60 HB ILE 60 6.637 -5.984 6.212 432 HG12 ILE 60 1HG1 ILE 60 5.898 -6.381 3.310 433 HG13 ILE 60 2HG1 ILE 60 7.099 -5.214 3.849 434 HG21 ILE 60 1HG2 ILE 60 5.353 -8.067 5.044 435 HG22 ILE 60 2HG2 ILE 60 5.099 -7.544 6.708 436 HG23 ILE 60 3HG2 ILE 60 3.998 -7.010 5.439 437 HD11 ILE 60 3HD1 ILE 60 7.303 -8.119 4.546 438 HD12 ILE 60 1HD1 ILE 60 7.925 -7.474 3.028 439 HD13 ILE 60 2HD1 ILE 60 8.563 -6.885 4.564 440 H THR 61 H THR 61 2.673 -5.296 6.114 441 HA THR 61 HA THR 61 3.081 -5.143 8.979 442 HB THR 61 HB THR 61 2.654 -2.797 8.451 443 HG1 THR 61 1HG THR 61 1.768 -3.462 10.390 444 HG21 THR 61 3HG2 THR 61 0.935 -3.825 6.505 445 HG22 THR 61 1HG2 THR 61 1.188 -2.127 6.907 446 HG23 THR 61 2HG2 THR 61 -0.119 -3.030 7.673 447 H THR 62 H THR 62 1.552 -6.263 10.143 448 HA THR 62 HA THR 62 -0.121 -8.057 8.613 449 HB THR 62 HB THR 62 -0.615 -9.122 10.784 450 HG1 THR 62 1HG THR 62 0.555 -6.780 11.712 451 HG21 THR 62 3HG2 THR 62 1.366 -9.828 9.552 452 HG22 THR 62 1HG2 THR 62 1.670 -9.885 11.288 453 HG23 THR 62 2HG2 THR 62 2.317 -8.558 10.322 454 H ASP 63 H ASP 63 -0.709 -5.087 8.978 455 HA ASP 63 HA ASP 63 -3.487 -5.424 9.902 456 HB2 ASP 63 1HB ASP 63 -1.500 -3.278 10.497 457 HB3 ASP 63 2HB ASP 63 -3.193 -2.821 10.333 458 H THR 64 H THR 64 -5.024 -3.896 8.923 459 HA THR 64 HA THR 64 -4.574 -3.728 6.076 460 HB THR 64 HB THR 64 -6.968 -2.568 6.323 461 HG1 THR 64 1HG THR 64 -7.789 -4.073 8.231 462 HG21 THR 64 3HG2 THR 64 -6.347 -4.744 5.209 463 HG22 THR 64 1HG2 THR 64 -7.958 -4.698 5.925 464 HG23 THR 64 2HG2 THR 64 -6.647 -5.534 6.757 465 H ARG 65 H ARG 65 -3.194 -1.925 8.127 466 HA ARG 65 HA ARG 65 -3.568 0.535 6.599 467 HB2 ARG 65 1HB ARG 65 -3.652 1.907 8.637 468 HB3 ARG 65 2HB ARG 65 -5.028 0.818 8.531 469 HG2 ARG 65 1HG ARG 65 -4.329 -0.464 10.295 470 HG3 ARG 65 2HG ARG 65 -2.630 -0.049 10.063 471 HD2 ARG 65 1HD ARG 65 -3.123 1.159 11.954 472 HD3 ARG 65 2HD ARG 65 -3.439 2.355 10.697 473 HE ARG 65 HE ARG 65 -5.857 1.385 10.968 474 HH11 ARG 65 1HH1 ARG 65 -3.523 2.066 13.460 475 HH12 ARG 65 2HH1 ARG 65 -4.718 2.409 14.667 476 HH21 ARG 65 1HH2 ARG 65 -7.440 1.835 12.548 477 HH22 ARG 65 2HH2 ARG 65 -6.945 2.276 14.147 478 H PHE 66 H PHE 66 -1.845 2.181 7.237 479 HA PHE 66 HA PHE 66 0.523 1.334 8.529 480 HB2 PHE 66 1HB PHE 66 0.576 -0.072 6.421 481 HB3 PHE 66 2HB PHE 66 0.754 1.430 5.519 482 HD1 PHE 66 1HD PHE 66 2.355 -0.837 7.926 483 HD2 PHE 66 2HD PHE 66 2.823 2.614 5.479 484 HE1 PHE 66 1HE PHE 66 4.789 -0.922 8.278 485 HE2 PHE 66 2HE PHE 66 5.257 2.534 5.825 486 HZ PHE 66 HZ PHE 66 6.243 0.764 7.226 487 H THR 67 H THR 67 2.238 2.928 8.397 488 HA THR 67 HA THR 67 1.361 5.524 7.321 489 HB THR 67 HB THR 67 2.638 5.074 10.026 490 HG1 THR 67 1HG THR 67 0.657 5.606 10.837 491 HG21 THR 67 3HG2 THR 67 3.271 7.208 9.980 492 HG22 THR 67 1HG2 THR 67 1.608 7.706 9.674 493 HG23 THR 67 2HG2 THR 67 2.683 7.346 8.323 494 H LEU 68 H LEU 68 2.757 5.967 5.740 495 HA LEU 68 HA LEU 68 5.358 4.941 5.516 496 HB2 LEU 68 1HB LEU 68 4.019 7.313 4.241 497 HB3 LEU 68 2HB LEU 68 5.652 6.798 3.824 498 HG LEU 68 HG LEU 68 4.531 5.741 2.163 499 HD11 LEU 68 1HD1 LEU 68 4.011 3.774 4.386 500 HD12 LEU 68 2HD1 LEU 68 5.565 3.998 3.582 501 HD13 LEU 68 3HD1 LEU 68 4.175 3.417 2.666 502 HD21 LEU 68 3HD2 LEU 68 2.258 5.265 2.094 503 HD22 LEU 68 1HD2 LEU 68 2.335 6.693 3.127 504 HD23 LEU 68 2HD2 LEU 68 2.138 5.094 3.846 505 H THR 69 H THR 69 7.271 6.574 5.163 506 HA THR 69 HA THR 69 7.362 8.790 6.990 507 HB THR 69 HB THR 69 9.092 7.943 8.464 508 HG1 THR 69 1HG THR 69 9.011 5.782 6.696 509 HG21 THR 69 3HG2 THR 69 6.743 7.590 9.119 510 HG22 THR 69 1HG2 THR 69 7.799 6.324 9.745 511 HG23 THR 69 2HG2 THR 69 6.777 6.006 8.344 512 H GLY 70 H GLY 70 9.620 9.735 7.080 513 HA2 GLY 70 1HA GLY 70 11.417 10.616 5.958 514 HA3 GLY 70 2HA GLY 70 11.648 9.003 5.300 515 H LEU 71 H LEU 71 9.017 11.357 4.861 516 HA LEU 71 HA LEU 71 9.536 11.230 1.963 517 HB2 LEU 71 1HB LEU 71 6.890 12.010 3.112 518 HB3 LEU 71 2HB LEU 71 7.264 11.339 1.526 519 HG LEU 71 HG LEU 71 7.509 9.730 4.056 520 HD11 LEU 71 1HD1 LEU 71 5.243 8.833 2.829 521 HD12 LEU 71 2HD1 LEU 71 5.108 10.579 2.624 522 HD13 LEU 71 3HD1 LEU 71 5.287 9.893 4.238 523 HD21 LEU 71 3HD2 LEU 71 7.651 9.203 1.134 524 HD22 LEU 71 1HD2 LEU 71 6.968 7.957 2.178 525 HD23 LEU 71 2HD2 LEU 71 8.612 8.534 2.454 526 H LYS 72 H LYS 72 8.858 13.182 0.746 527 HA LYS 72 HA LYS 72 9.749 15.569 2.169 528 HB2 LYS 72 1HB LYS 72 10.570 14.730 -0.172 529 HB3 LYS 72 2HB LYS 72 9.105 15.507 -0.757 530 HG2 LYS 72 1HG LYS 72 9.823 17.633 0.047 531 HG3 LYS 72 2HG LYS 72 11.190 16.909 0.897 532 HD2 LYS 72 1HD LYS 72 12.264 17.634 -0.981 533 HD3 LYS 72 2HD LYS 72 11.764 16.036 -1.540 534 HE2 LYS 72 1HE LYS 72 9.663 17.190 -2.413 535 HE3 LYS 72 2HE LYS 72 10.522 18.706 -2.144 536 HZ1 LYS 72 3HZ LYS 72 11.905 18.333 -3.868 537 HZ2 LYS 72 1HZ LYS 72 10.628 17.374 -4.425 538 HZ3 LYS 72 2HZ LYS 72 11.945 16.657 -3.643 539 HA PRO 73 HA PRO 73 5.674 17.201 2.584 540 HB2 PRO 73 1HB PRO 73 6.323 19.815 2.923 541 HB3 PRO 73 2HB PRO 73 6.564 18.595 4.179 542 HG2 PRO 73 1HG PRO 73 8.545 19.748 2.254 543 HG3 PRO 73 2HG PRO 73 8.733 19.410 3.985 544 HD2 PRO 73 1HD PRO 73 9.700 17.763 2.065 545 HD3 PRO 73 2HD PRO 73 9.119 17.165 3.632 546 H ASP 74 H ASP 74 4.117 18.073 1.301 547 HA ASP 74 HA ASP 74 3.104 18.895 -0.562 548 HB2 ASP 74 1HB ASP 74 4.218 20.989 0.184 549 HB3 ASP 74 2HB ASP 74 5.600 20.582 -0.829 550 H THR 75 H THR 75 4.292 16.491 -0.948 551 HA THR 75 HA THR 75 5.034 16.648 -3.766 552 HB THR 75 HB THR 75 6.710 15.246 -1.681 553 HG1 THR 75 1HG THR 75 7.674 17.134 -1.892 554 HG21 THR 75 3HG2 THR 75 7.132 15.128 -4.660 555 HG22 THR 75 1HG2 THR 75 6.248 13.884 -3.778 556 HG23 THR 75 2HG2 THR 75 7.943 14.193 -3.404 557 H THR 76 H THR 76 4.031 15.137 -4.937 558 HA THR 76 HA THR 76 2.163 13.373 -3.758 559 HB THR 76 HB THR 76 3.252 13.322 -6.579 560 HG1 THR 76 1HG THR 76 0.757 14.414 -5.937 561 HG21 THR 76 3HG2 THR 76 0.709 12.183 -5.414 562 HG22 THR 76 1HG2 THR 76 2.097 11.255 -5.978 563 HG23 THR 76 2HG2 THR 76 1.139 12.193 -7.124 564 H TYR 77 H TYR 77 2.277 11.268 -3.212 565 HA TYR 77 HA TYR 77 4.746 9.803 -3.862 566 HB2 TYR 77 1HB TYR 77 3.458 10.255 -1.208 567 HB3 TYR 77 2HB TYR 77 4.227 8.699 -1.505 568 HD1 TYR 77 1HD TYR 77 6.645 8.551 -1.844 569 HD2 TYR 77 2HD TYR 77 4.767 12.273 -0.993 570 HE1 TYR 77 1HE TYR 77 8.837 9.525 -1.300 571 HE2 TYR 77 2HE TYR 77 6.954 13.258 -0.448 572 HH TYR 77 HH TYR 77 9.924 11.618 -1.106 573 H ASP 78 H ASP 78 4.069 8.323 -5.285 574 HA ASP 78 HA ASP 78 1.490 7.216 -5.406 575 HB2 ASP 78 1HB ASP 78 2.822 7.142 -7.375 576 HB3 ASP 78 2HB ASP 78 4.135 6.315 -6.541 577 H ILE 79 H ILE 79 0.712 6.253 -3.604 578 HA ILE 79 HA ILE 79 2.300 4.060 -2.442 579 HB ILE 79 HB ILE 79 0.056 5.594 -1.127 580 HG12 ILE 79 1HG1 ILE 79 2.889 5.764 -0.210 581 HG13 ILE 79 2HG1 ILE 79 2.426 6.691 -1.633 582 HG21 ILE 79 1HG2 ILE 79 0.429 4.351 0.792 583 HG22 ILE 79 2HG2 ILE 79 0.603 3.148 -0.485 584 HG23 ILE 79 3HG2 ILE 79 2.036 3.843 0.272 585 HD11 ILE 79 3HD1 ILE 79 2.317 7.826 0.657 586 HD12 ILE 79 1HD1 ILE 79 0.944 8.016 -0.434 587 HD13 ILE 79 2HD1 ILE 79 0.855 6.871 0.905 588 H LYS 80 H LYS 80 1.530 2.046 -2.546 589 HA LYS 80 HA LYS 80 -1.314 1.649 -3.175 590 HB2 LYS 80 1HB LYS 80 -0.406 -0.378 -4.561 591 HB3 LYS 80 2HB LYS 80 -0.447 1.229 -5.275 592 HG2 LYS 80 1HG LYS 80 2.000 1.331 -4.263 593 HG3 LYS 80 2HG LYS 80 1.866 -0.421 -4.437 594 HD2 LYS 80 1HD LYS 80 1.166 1.431 -6.693 595 HD3 LYS 80 2HD LYS 80 2.832 0.928 -6.403 596 HE2 LYS 80 1HE LYS 80 2.119 -1.426 -6.558 597 HE3 LYS 80 2HE LYS 80 0.477 -0.888 -6.911 598 HZ1 LYS 80 3HZ LYS 80 2.077 0.439 -8.707 599 HZ2 LYS 80 1HZ LYS 80 1.070 -0.880 -9.033 600 HZ3 LYS 80 2HZ LYS 80 2.700 -1.133 -8.664 601 H VAL 81 H VAL 81 -1.551 -0.999 -3.160 602 HA VAL 81 HA VAL 81 -0.129 -2.178 -0.934 603 HB VAL 81 HB VAL 81 -2.206 -0.745 -0.121 604 HG11 VAL 81 1HG1 VAL 81 -4.264 -1.843 -0.091 605 HG12 VAL 81 2HG1 VAL 81 -3.673 -2.108 -1.733 606 HG13 VAL 81 3HG1 VAL 81 -3.550 -3.394 -0.532 607 HG21 VAL 81 3HG2 VAL 81 -1.653 -1.709 1.805 608 HG22 VAL 81 1HG2 VAL 81 -2.377 -3.236 1.300 609 HG23 VAL 81 2HG2 VAL 81 -0.697 -2.879 0.896 610 H ARG 82 H ARG 82 -0.560 -4.439 -0.678 611 HA ARG 82 HA ARG 82 -2.268 -5.732 -2.640 612 HB2 ARG 82 1HB ARG 82 -0.500 -7.111 -3.573 613 HB3 ARG 82 2HB ARG 82 -0.131 -5.411 -3.830 614 HG2 ARG 82 1HG ARG 82 1.442 -5.449 -1.981 615 HG3 ARG 82 2HG ARG 82 1.043 -7.138 -1.661 616 HD2 ARG 82 1HD ARG 82 1.922 -7.800 -3.805 617 HD3 ARG 82 2HD ARG 82 2.190 -6.116 -4.255 618 HE ARG 82 HE ARG 82 3.580 -6.993 -1.875 619 HH11 ARG 82 1HH1 ARG 82 3.698 -6.565 -5.328 620 HH12 ARG 82 2HH1 ARG 82 5.429 -6.534 -5.396 621 HH21 ARG 82 1HH2 ARG 82 5.859 -6.953 -1.952 622 HH22 ARG 82 2HH2 ARG 82 6.657 -6.755 -3.475 623 H ALA 83 H ALA 83 -3.162 -7.528 -1.829 624 HA ALA 83 HA ALA 83 -2.579 -8.305 0.863 625 HB1 ALA 83 3HB ALA 83 -4.818 -8.384 -0.611 626 HB2 ALA 83 1HB ALA 83 -4.284 -10.056 -0.794 627 HB3 ALA 83 2HB ALA 83 -4.562 -9.389 0.816 628 H TRP 84 H TRP 84 -1.781 -10.279 1.610 629 HA TRP 84 HA TRP 84 -0.332 -11.882 -0.395 630 HB2 TRP 84 1HB TRP 84 0.522 -10.996 2.357 631 HB3 TRP 84 2HB TRP 84 1.291 -12.347 1.530 632 HD1 TRP 84 HD TRP 84 0.564 -8.597 0.815 633 HE1 TRP 84 1HE TRP 84 2.556 -7.649 -0.512 634 HE3 TRP 84 3HE TRP 84 3.321 -12.874 0.323 635 HZ2 TRP 84 2HZ TRP 84 4.975 -8.590 -1.621 636 HZ3 TRP 84 3HZ TRP 84 5.461 -12.765 -0.885 637 HH2 TRP 84 HH TRP 84 6.269 -10.667 -1.837 638 H THR 85 H THR 85 -0.389 -14.089 -0.206 639 HA THR 85 HA THR 85 -2.212 -15.154 1.851 640 HB THR 85 HB THR 85 -2.533 -17.070 0.191 641 HG1 THR 85 1HG THR 85 -0.669 -15.873 -1.116 642 HG21 THR 85 3HG2 THR 85 -3.774 -15.050 -1.334 643 HG22 THR 85 1HG2 THR 85 -3.732 -14.471 0.331 644 HG23 THR 85 2HG2 THR 85 -4.484 -16.022 -0.045 645 H SER 86 H SER 86 -1.808 -17.403 2.509 646 HA SER 86 HA SER 86 0.674 -17.818 3.580 647 HB2 SER 86 1HB SER 86 -1.023 -19.197 4.421 648 HB3 SER 86 2HB SER 86 -1.513 -19.735 2.815 649 HG SER 86 HG SER 86 0.927 -20.393 4.110 650 H LYS 87 H LYS 87 -0.349 -18.382 0.324 651 HA LYS 87 HA LYS 87 1.850 -20.098 -0.377 652 HB2 LYS 87 1HB LYS 87 -0.231 -18.643 -2.006 653 HB3 LYS 87 2HB LYS 87 1.043 -19.610 -2.738 654 HG2 LYS 87 1HG LYS 87 -0.590 -21.177 -2.652 655 HG3 LYS 87 2HG LYS 87 0.114 -21.433 -1.054 656 HD2 LYS 87 1HD LYS 87 -1.593 -19.795 -0.172 657 HD3 LYS 87 2HD LYS 87 -2.368 -19.877 -1.756 658 HE2 LYS 87 1HE LYS 87 -2.363 -22.425 -1.385 659 HE3 LYS 87 2HE LYS 87 -2.055 -22.033 0.306 660 HZ1 LYS 87 3HZ LYS 87 -4.477 -22.312 -0.563 661 HZ2 LYS 87 1HZ LYS 87 -4.282 -20.711 -1.075 662 HZ3 LYS 87 2HZ LYS 87 -4.113 -21.101 0.562 663 H GLY 88 H GLY 88 0.942 -16.814 -1.457 664 HA2 GLY 88 1HA GLY 88 3.622 -15.845 -1.107 665 HA3 GLY 88 2HA GLY 88 3.221 -16.119 -2.796 666 H SER 89 H SER 89 2.646 -14.321 -3.796 667 HA SER 89 HA SER 89 0.945 -12.397 -2.358 668 HB2 SER 89 1HB SER 89 3.156 -11.431 -2.391 669 HB3 SER 89 2HB SER 89 3.333 -11.778 -4.111 670 HG SER 89 HG SER 89 2.450 -9.916 -4.452 671 H GLY 90 H GLY 90 0.197 -10.664 -4.141 672 HA2 GLY 90 1HA GLY 90 -0.596 -12.119 -6.573 673 HA3 GLY 90 2HA GLY 90 -1.830 -11.369 -5.571 674 HA PRO 91 HA PRO 91 -0.984 -8.169 -8.665 675 HB2 PRO 91 1HB PRO 91 -3.384 -6.938 -8.351 676 HB3 PRO 91 2HB PRO 91 -3.165 -8.374 -9.359 677 HG2 PRO 91 1HG PRO 91 -4.212 -8.164 -6.562 678 HG3 PRO 91 2HG PRO 91 -4.817 -9.142 -7.913 679 HD2 PRO 91 1HD PRO 91 -3.287 -10.179 -5.934 680 HD3 PRO 91 2HD PRO 91 -3.226 -10.781 -7.604 681 H LEU 92 H LEU 92 -1.550 -5.676 -8.450 682 HA LEU 92 HA LEU 92 -0.909 -4.818 -5.708 683 HB2 LEU 92 1HB LEU 92 0.451 -4.201 -8.272 684 HB3 LEU 92 2HB LEU 92 0.313 -2.903 -7.088 685 HG LEU 92 HG LEU 92 1.443 -5.540 -6.253 686 HD11 LEU 92 1HD1 LEU 92 3.050 -5.387 -7.792 687 HD12 LEU 92 2HD1 LEU 92 3.647 -4.021 -6.851 688 HD13 LEU 92 3HD1 LEU 92 2.593 -3.743 -8.237 689 HD21 LEU 92 3HD2 LEU 92 2.888 -3.596 -5.062 690 HD22 LEU 92 1HD2 LEU 92 1.411 -4.283 -4.385 691 HD23 LEU 92 2HD2 LEU 92 1.347 -2.763 -5.278 692 H SER 93 H SER 93 -2.376 -3.473 -4.922 693 HA SER 93 HA SER 93 -4.574 -2.509 -6.315 694 HB2 SER 93 1HB SER 93 -5.180 -1.412 -4.356 695 HB3 SER 93 2HB SER 93 -4.085 -2.651 -3.743 696 HG SER 93 HG SER 93 -3.381 0.036 -4.334 697 HA PRO 94 HA PRO 94 -3.257 1.037 -8.540 698 HB2 PRO 94 1HB PRO 94 -5.453 2.623 -8.357 699 HB3 PRO 94 2HB PRO 94 -5.399 1.170 -9.361 700 HG2 PRO 94 1HG PRO 94 -6.564 1.541 -6.629 701 HG3 PRO 94 2HG PRO 94 -7.231 0.668 -8.020 702 HD2 PRO 94 1HD PRO 94 -5.999 -0.591 -5.964 703 HD3 PRO 94 2HD PRO 94 -5.933 -1.197 -7.632 704 H SER 95 H SER 95 -1.714 2.317 -7.731 705 HA SER 95 HA SER 95 -1.445 3.351 -5.224 706 HB2 SER 95 1HB SER 95 0.409 3.543 -6.685 707 HB3 SER 95 2HB SER 95 -0.524 4.444 -7.880 708 HG SER 95 HG SER 95 -0.280 6.236 -6.748 709 H ILE 96 H ILE 96 -1.722 5.487 -4.332 710 HA ILE 96 HA ILE 96 -4.173 6.779 -5.325 711 HB ILE 96 HB ILE 96 -4.236 7.771 -2.967 712 HG12 ILE 96 1HG1 ILE 96 -2.288 5.502 -2.500 713 HG13 ILE 96 2HG1 ILE 96 -1.929 7.217 -2.340 714 HG21 ILE 96 1HG2 ILE 96 -4.586 4.881 -2.614 715 HG22 ILE 96 2HG2 ILE 96 -5.751 6.195 -2.457 716 HG23 ILE 96 3HG2 ILE 96 -5.361 5.548 -4.050 717 HD11 ILE 96 3HD1 ILE 96 -2.574 7.156 -0.232 718 HD12 ILE 96 1HD1 ILE 96 -4.184 6.632 -0.724 719 HD13 ILE 96 2HD1 ILE 96 -2.931 5.436 -0.392 720 H GLN 97 H GLN 97 -0.835 7.278 -4.514 721 HA GLN 97 HA GLN 97 0.578 9.033 -4.823 722 HB2 GLN 97 1HB GLN 97 -1.650 9.624 -6.701 723 HB3 GLN 97 2HB GLN 97 -0.527 10.930 -6.350 724 HG2 GLN 97 1HG GLN 97 1.203 9.923 -7.419 725 HG3 GLN 97 2HG GLN 97 0.625 8.297 -7.059 726 HE21 GLN 97 1HE2 GLN 97 0.066 7.226 -8.799 727 HE22 GLN 97 2HE2 GLN 97 -0.662 7.885 -10.220 728 H SER 98 H SER 98 -0.528 9.095 -2.432 729 HA SER 98 HA SER 98 -1.959 11.517 -1.879 730 HB2 SER 98 1HB SER 98 -1.916 9.265 -0.541 731 HB3 SER 98 2HB SER 98 -0.493 9.965 0.230 732 HG SER 98 HG SER 98 -2.178 11.880 0.327 733 H ARG 99 H ARG 99 -0.950 13.400 -2.206 734 HA ARG 99 HA ARG 99 1.874 13.729 -1.829 735 HB2 ARG 99 1HB ARG 99 0.914 15.033 -3.555 736 HB3 ARG 99 2HB ARG 99 -0.371 15.618 -2.506 737 HG2 ARG 99 1HG ARG 99 1.251 16.921 -1.232 738 HG3 ARG 99 2HG ARG 99 2.547 16.325 -2.271 739 HD2 ARG 99 1HD ARG 99 1.956 18.488 -3.060 740 HD3 ARG 99 2HD ARG 99 1.315 17.321 -4.216 741 HE ARG 99 HE ARG 99 -0.606 18.030 -2.229 742 HH11 ARG 99 1HH1 ARG 99 0.880 19.081 -5.198 743 HH12 ARG 99 2HH1 ARG 99 -0.472 20.050 -5.683 744 HH21 ARG 99 1HH2 ARG 99 -2.391 19.302 -2.858 745 HH22 ARG 99 2HH2 ARG 99 -2.331 20.176 -4.351 746 H THR 100 H THR 100 2.753 13.855 0.123 747 HA THR 100 HA THR 100 1.621 14.123 2.555 748 HB THR 100 HB THR 100 3.732 15.044 3.413 749 HG1 THR 100 1HG THR 100 4.236 15.480 0.650 750 HG21 THR 100 3HG2 THR 100 3.369 12.613 2.248 751 HG22 THR 100 1HG2 THR 100 4.816 13.086 3.137 752 HG23 THR 100 2HG2 THR 100 4.785 13.203 1.378 753 H MET 101 H MET 101 1.465 15.889 4.102 754 HA MET 101 HA MET 101 0.055 18.108 3.034 755 HB2 MET 101 1HB MET 101 -0.451 18.657 5.216 756 HB3 MET 101 2HB MET 101 -0.109 16.939 5.375 757 HG2 MET 101 1HG MET 101 2.220 17.550 6.039 758 HG3 MET 101 2HG MET 101 1.703 19.234 6.067 759 HE1 MET 101 3HE MET 101 -1.162 19.089 7.036 760 HE2 MET 101 1HE MET 101 -1.155 19.038 8.799 761 HE3 MET 101 2HE MET 101 -0.132 20.194 7.946 762 HA PRO 102 HA PRO 102 3.384 20.884 2.227 763 HB2 PRO 102 1HB PRO 102 1.977 23.205 2.225 764 HB3 PRO 102 2HB PRO 102 1.898 22.033 0.905 765 HG2 PRO 102 1HG PRO 102 -0.002 22.455 3.180 766 HG3 PRO 102 2HG PRO 102 -0.354 22.164 1.466 767 HD2 PRO 102 1HD PRO 102 -0.504 20.212 3.336 768 HD3 PRO 102 2HD PRO 102 -0.030 19.890 1.656 769 H VAL 103 H VAL 103 4.715 20.877 4.007 770 HA VAL 103 HA VAL 103 4.177 21.635 6.591 771 HB VAL 103 HB VAL 103 6.299 20.608 5.898 772 HG11 VAL 103 1HG1 VAL 103 7.365 21.464 4.142 773 HG12 VAL 103 2HG1 VAL 103 6.443 22.965 4.233 774 HG13 VAL 103 3HG1 VAL 103 7.906 22.767 5.199 775 HG21 VAL 103 3HG2 VAL 103 7.280 21.364 7.758 776 HG22 VAL 103 1HG2 VAL 103 7.389 23.009 7.129 777 HG23 VAL 103 2HG2 VAL 103 5.903 22.456 7.902 Start of MODEL 5 1 H1 GLY 1 H GLY 1 6.317 -23.048 -18.201 2 HA2 GLY 1 1HA GLY 1 7.913 -21.644 -19.074 3 HA3 GLY 1 2HA GLY 1 6.597 -20.715 -19.777 4 H SER 2 H SER 2 7.995 -21.339 -16.554 5 HA SER 2 HA SER 2 8.325 -19.963 -14.765 6 HB2 SER 2 1HB SER 2 9.062 -18.144 -17.062 7 HB3 SER 2 2HB SER 2 9.317 -17.706 -15.372 8 HG SER 2 HG SER 2 10.886 -19.147 -15.215 9 H SER 3 H SER 3 5.660 -20.182 -15.394 10 HA SER 3 HA SER 3 4.656 -17.642 -14.402 11 HB2 SER 3 1HB SER 3 2.900 -17.463 -16.094 12 HB3 SER 3 2HB SER 3 4.488 -17.432 -16.861 13 HG SER 3 HG SER 3 2.477 -19.325 -17.014 14 H GLY 4 H GLY 4 2.801 -17.830 -13.180 15 HA2 GLY 4 1HA GLY 4 0.971 -19.917 -13.185 16 HA3 GLY 4 2HA GLY 4 2.254 -20.389 -12.081 17 H SER 5 H SER 5 -0.716 -19.251 -12.038 18 HA SER 5 HA SER 5 -0.380 -17.054 -10.178 19 HB2 SER 5 1HB SER 5 -2.238 -17.231 -11.930 20 HB3 SER 5 2HB SER 5 -2.977 -18.429 -10.867 21 HG SER 5 HG SER 5 -2.196 -16.007 -9.730 22 H SER 6 H SER 6 0.195 -17.519 -8.161 23 HA SER 6 HA SER 6 -0.960 -19.906 -6.881 24 HB2 SER 6 1HB SER 6 1.597 -18.402 -6.288 25 HB3 SER 6 2HB SER 6 0.962 -19.698 -5.276 26 HG SER 6 HG SER 6 1.251 -21.130 -6.945 27 H GLY 7 H GLY 7 0.157 -16.619 -6.037 28 HA2 GLY 7 1HA GLY 7 -1.287 -16.501 -3.604 29 HA3 GLY 7 2HA GLY 7 -0.603 -15.129 -4.463 30 HA PRO 8 HA PRO 8 -5.207 -14.689 -4.542 31 HB2 PRO 8 1HB PRO 8 -5.191 -12.040 -3.950 32 HB3 PRO 8 2HB PRO 8 -5.162 -13.301 -2.712 33 HG2 PRO 8 1HG PRO 8 -2.900 -11.688 -3.827 34 HG3 PRO 8 2HG PRO 8 -3.236 -12.129 -2.142 35 HD2 PRO 8 1HD PRO 8 -1.407 -13.435 -3.653 36 HD3 PRO 8 2HD PRO 8 -2.355 -14.244 -2.388 37 H SER 9 H SER 9 -6.518 -13.280 -5.928 38 HA SER 9 HA SER 9 -4.987 -12.249 -8.227 39 HB2 SER 9 1HB SER 9 -6.215 -14.368 -8.714 40 HB3 SER 9 2HB SER 9 -7.723 -13.542 -8.324 41 HG SER 9 HG SER 9 -6.664 -11.966 -10.021 42 H GLY 10 H GLY 10 -6.770 -11.315 -5.676 43 HA2 GLY 10 1HA GLY 10 -7.890 -9.007 -7.144 44 HA3 GLY 10 2HA GLY 10 -8.736 -9.761 -5.800 45 H PHE 11 H PHE 11 -8.055 -7.021 -5.935 46 HA PHE 11 HA PHE 11 -5.994 -6.827 -3.839 47 HB2 PHE 11 1HB PHE 11 -5.938 -4.359 -4.597 48 HB3 PHE 11 2HB PHE 11 -5.179 -5.562 -5.633 49 HD1 PHE 11 2HD PHE 11 -6.282 -6.275 -7.716 50 HD2 PHE 11 1HD PHE 11 -7.840 -3.127 -5.311 51 HE1 PHE 11 2HE PHE 11 -7.671 -5.525 -9.603 52 HE2 PHE 11 1HE PHE 11 -9.233 -2.373 -7.194 53 HZ PHE 11 HZ PHE 11 -9.148 -3.572 -9.344 54 HA PRO 12 HA PRO 12 -8.940 -5.280 -0.979 55 HB2 PRO 12 1HB PRO 12 -7.473 -3.452 0.391 56 HB3 PRO 12 2HB PRO 12 -7.237 -5.196 0.562 57 HG2 PRO 12 1HG PRO 12 -5.682 -3.225 -1.069 58 HG3 PRO 12 2HG PRO 12 -5.089 -4.556 -0.057 59 HD2 PRO 12 1HD PRO 12 -5.283 -4.748 -2.751 60 HD3 PRO 12 2HD PRO 12 -5.513 -6.141 -1.676 61 H GLN 13 H GLN 13 -10.082 -3.336 -0.242 62 HA GLN 13 HA GLN 13 -9.961 -1.153 -2.217 63 HB2 GLN 13 1HB GLN 13 -12.516 -1.822 -0.823 64 HB3 GLN 13 2HB GLN 13 -12.264 -1.076 -2.396 65 HG2 GLN 13 1HG GLN 13 -11.587 -3.949 -1.861 66 HG3 GLN 13 2HG GLN 13 -13.196 -3.433 -2.362 67 HE21 GLN 13 1HE2 GLN 13 -12.305 -5.084 -4.051 68 HE22 GLN 13 2HE2 GLN 13 -11.607 -4.364 -5.458 69 H ASN 14 H ASN 14 -11.393 0.773 -1.266 70 HA ASN 14 HA ASN 14 -11.525 2.467 0.247 71 HB2 ASN 14 1HB ASN 14 -11.469 0.042 1.968 72 HB3 ASN 14 2HB ASN 14 -11.168 1.589 2.753 73 HD21 ASN 14 1HD2 ASN 14 -13.361 0.339 0.254 74 HD22 ASN 14 2HD2 ASN 14 -14.795 1.024 0.932 75 H LEU 15 H LEU 15 -8.952 1.607 -0.926 76 HA LEU 15 HA LEU 15 -6.933 2.049 1.065 77 HB2 LEU 15 1HB LEU 15 -6.598 0.669 -0.972 78 HB3 LEU 15 2HB LEU 15 -6.691 2.139 -1.939 79 HG LEU 15 HG LEU 15 -4.674 2.975 -0.725 80 HD11 LEU 15 1HD1 LEU 15 -3.319 1.031 0.316 81 HD12 LEU 15 2HD1 LEU 15 -4.894 0.267 0.522 82 HD13 LEU 15 3HD1 LEU 15 -4.565 1.825 1.278 83 HD21 LEU 15 3HD2 LEU 15 -4.762 1.615 -2.948 84 HD22 LEU 15 1HD2 LEU 15 -3.993 0.354 -1.983 85 HD23 LEU 15 2HD2 LEU 15 -3.212 1.925 -2.165 86 H HIS 16 H HIS 16 -6.429 3.956 1.892 87 HA HIS 16 HA HIS 16 -5.896 6.242 0.312 88 HB2 HIS 16 1HB HIS 16 -7.708 7.685 1.403 89 HB3 HIS 16 2HB HIS 16 -8.218 6.609 0.106 90 HD1 HIS 16 1HD HIS 16 -10.030 4.968 0.639 91 HD2 HIS 16 2HD HIS 16 -8.408 6.706 4.046 92 HE1 HIS 16 1HE HIS 16 -11.489 4.207 2.542 93 HE2 HIS 16 2HE HIS 16 -10.539 5.340 4.581 94 H VAL 17 H VAL 17 -5.944 8.284 1.982 95 HA VAL 17 HA VAL 17 -4.372 7.345 4.285 96 HB VAL 17 HB VAL 17 -4.344 10.031 2.901 97 HG11 VAL 17 1HG1 VAL 17 -3.146 9.059 5.437 98 HG12 VAL 17 2HG1 VAL 17 -2.173 10.126 4.422 99 HG13 VAL 17 3HG1 VAL 17 -3.749 10.660 5.010 100 HG21 VAL 17 3HG2 VAL 17 -3.295 8.171 1.644 101 HG22 VAL 17 1HG2 VAL 17 -2.144 9.416 2.130 102 HG23 VAL 17 2HG2 VAL 17 -2.220 7.891 3.014 103 H THR 18 H THR 18 -5.086 7.688 6.287 104 HA THR 18 HA THR 18 -7.586 9.128 6.656 105 HB THR 18 HB THR 18 -7.273 6.894 7.695 106 HG1 THR 18 1HG THR 18 -8.452 7.513 9.383 107 HG21 THR 18 3HG2 THR 18 -4.976 6.883 8.294 108 HG22 THR 18 1HG2 THR 18 -5.878 6.856 9.808 109 HG23 THR 18 2HG2 THR 18 -5.145 8.358 9.246 110 H GLY 19 H GLY 19 -4.243 9.675 7.025 111 HA2 GLY 19 1HA GLY 19 -4.597 12.348 7.862 112 HA3 GLY 19 2HA GLY 19 -4.137 11.367 9.245 113 H LEU 20 H LEU 20 -3.146 12.298 5.978 114 HA LEU 20 HA LEU 20 -0.553 11.210 6.088 115 HB2 LEU 20 1HB LEU 20 -0.203 12.209 4.073 116 HB3 LEU 20 2HB LEU 20 -1.965 12.232 4.120 117 HG LEU 20 HG LEU 20 -0.062 14.521 4.551 118 HD11 LEU 20 1HD1 LEU 20 -1.425 13.540 2.316 119 HD12 LEU 20 2HD1 LEU 20 -0.587 15.083 2.471 120 HD13 LEU 20 3HD1 LEU 20 -2.312 14.977 2.824 121 HD21 LEU 20 3HD2 LEU 20 -2.765 14.117 5.612 122 HD22 LEU 20 1HD2 LEU 20 -2.540 15.624 4.724 123 HD23 LEU 20 2HD2 LEU 20 -1.507 15.251 6.105 124 H THR 21 H THR 21 1.445 12.676 5.907 125 HA THR 21 HA THR 21 1.327 14.964 7.724 126 HB THR 21 HB THR 21 3.549 13.017 8.164 127 HG1 THR 21 1HG THR 21 1.541 11.822 8.319 128 HG21 THR 21 3HG2 THR 21 3.833 15.011 9.353 129 HG22 THR 21 1HG2 THR 21 3.133 13.915 10.543 130 HG23 THR 21 2HG2 THR 21 2.120 15.124 9.756 131 H THR 22 H THR 22 3.279 16.282 7.673 132 HA THR 22 HA THR 22 4.135 16.938 5.141 133 HB THR 22 HB THR 22 5.919 18.236 6.164 134 HG1 THR 22 1HG THR 22 6.440 17.959 8.340 135 HG21 THR 22 3HG2 THR 22 4.505 19.319 8.056 136 HG22 THR 22 1HG2 THR 22 3.254 18.192 7.533 137 HG23 THR 22 2HG2 THR 22 3.907 19.374 6.398 138 H SER 23 H SER 23 5.832 14.919 7.530 139 HA SER 23 HA SER 23 7.727 14.108 5.443 140 HB2 SER 23 1HB SER 23 8.754 12.951 7.623 141 HB3 SER 23 2HB SER 23 9.062 14.643 7.231 142 HG SER 23 HG SER 23 6.859 13.882 8.823 143 H THR 24 H THR 24 5.405 12.822 7.763 144 HA THR 24 HA THR 24 5.718 10.151 6.577 145 HB THR 24 HB THR 24 4.670 9.235 8.521 146 HG1 THR 24 1HG THR 24 3.103 10.554 9.190 147 HG21 THR 24 3HG2 THR 24 7.005 9.727 8.852 148 HG22 THR 24 1HG2 THR 24 6.140 10.084 10.346 149 HG23 THR 24 2HG2 THR 24 6.636 11.398 9.279 150 H THR 25 H THR 25 3.647 8.869 6.426 151 HA THR 25 HA THR 25 1.285 10.483 5.849 152 HB THR 25 HB THR 25 2.794 8.890 3.807 153 HG1 THR 25 1HG THR 25 2.542 11.384 4.170 154 HG21 THR 25 3HG2 THR 25 -0.173 9.451 3.767 155 HG22 THR 25 1HG2 THR 25 0.595 7.865 3.822 156 HG23 THR 25 2HG2 THR 25 0.767 8.879 2.389 157 H GLU 26 H GLU 26 -0.328 9.548 6.907 158 HA GLU 26 HA GLU 26 -0.198 6.819 7.773 159 HB2 GLU 26 1HB GLU 26 -2.347 8.929 7.981 160 HB3 GLU 26 2HB GLU 26 -2.525 7.309 8.641 161 HG2 GLU 26 1HG GLU 26 -0.407 7.759 9.951 162 HG3 GLU 26 2HG GLU 26 -0.586 9.444 9.466 163 H LEU 27 H LEU 27 -2.065 5.316 7.425 164 HA LEU 27 HA LEU 27 -3.435 5.618 4.876 165 HB2 LEU 27 1HB LEU 27 -1.712 3.214 5.450 166 HB3 LEU 27 2HB LEU 27 -2.671 3.505 4.000 167 HG LEU 27 HG LEU 27 -0.295 5.165 4.836 168 HD11 LEU 27 1HD1 LEU 27 -0.528 2.674 3.254 169 HD12 LEU 27 2HD1 LEU 27 0.800 3.268 4.249 170 HD13 LEU 27 3HD1 LEU 27 0.545 3.928 2.634 171 HD21 LEU 27 3HD2 LEU 27 -0.642 6.441 3.010 172 HD22 LEU 27 1HD2 LEU 27 -2.311 5.906 3.210 173 HD23 LEU 27 2HD2 LEU 27 -1.258 5.094 2.051 174 H ALA 28 H ALA 28 -5.062 3.911 4.527 175 HA ALA 28 HA ALA 28 -5.775 2.137 6.640 176 HB1 ALA 28 3HB ALA 28 -7.155 4.782 6.460 177 HB2 ALA 28 1HB ALA 28 -8.038 3.356 7.004 178 HB3 ALA 28 2HB ALA 28 -6.608 3.898 7.884 179 H TRP 29 H TRP 29 -6.228 0.503 5.289 180 HA TRP 29 HA TRP 29 -8.287 0.971 3.234 181 HB2 TRP 29 1HB TRP 29 -7.196 -0.725 1.833 182 HB3 TRP 29 2HB TRP 29 -6.103 0.612 2.180 183 HD1 TRP 29 HD TRP 29 -6.571 -3.111 2.800 184 HE1 TRP 29 1HE TRP 29 -4.417 -4.062 3.841 185 HE3 TRP 29 3HE TRP 29 -4.091 1.272 3.683 186 HZ2 TRP 29 2HZ TRP 29 -1.989 -3.084 4.896 187 HZ3 TRP 29 3HZ TRP 29 -1.858 1.177 4.711 188 HH2 TRP 29 HH TRP 29 -0.830 -0.956 5.305 189 H ASP 30 H ASP 30 -9.036 -1.407 2.467 190 HA ASP 30 HA ASP 30 -9.654 -2.926 4.914 191 HB2 ASP 30 1HB ASP 30 -11.463 -1.838 2.823 192 HB3 ASP 30 2HB ASP 30 -11.837 -3.444 3.445 193 HA PRO 31 HA PRO 31 -8.425 -6.600 2.860 194 HB2 PRO 31 1HB PRO 31 -10.286 -8.401 3.676 195 HB3 PRO 31 2HB PRO 31 -9.036 -7.759 4.748 196 HG2 PRO 31 1HG PRO 31 -11.904 -6.943 4.479 197 HG3 PRO 31 2HG PRO 31 -10.940 -7.176 5.949 198 HD2 PRO 31 1HD PRO 31 -11.441 -4.727 4.908 199 HD3 PRO 31 2HD PRO 31 -9.936 -5.109 5.769 200 HA PRO 32 HA PRO 32 -10.600 -6.993 -0.956 201 HB2 PRO 32 1HB PRO 32 -9.601 -9.373 -1.796 202 HB3 PRO 32 2HB PRO 32 -8.657 -7.879 -1.804 203 HG2 PRO 32 1HG PRO 32 -8.650 -10.113 0.188 204 HG3 PRO 32 2HG PRO 32 -7.280 -9.221 -0.498 205 HD2 PRO 32 1HD PRO 32 -8.277 -8.691 1.963 206 HD3 PRO 32 2HD PRO 32 -7.564 -7.435 0.931 207 H VAL 33 H VAL 33 -12.509 -7.795 -1.653 208 HA VAL 33 HA VAL 33 -14.256 -9.150 -0.029 209 HB VAL 33 HB VAL 33 -15.508 -9.753 -2.141 210 HG11 VAL 33 1HG1 VAL 33 -16.442 -7.728 -2.027 211 HG12 VAL 33 2HG1 VAL 33 -15.184 -7.338 -0.852 212 HG13 VAL 33 3HG1 VAL 33 -14.962 -6.925 -2.552 213 HG21 VAL 33 3HG2 VAL 33 -13.797 -8.011 -3.762 214 HG22 VAL 33 1HG2 VAL 33 -13.072 -9.564 -3.344 215 HG23 VAL 33 2HG2 VAL 33 -14.619 -9.512 -4.189 216 H LEU 34 H LEU 34 -14.685 -11.222 0.476 217 HA LEU 34 HA LEU 34 -12.815 -13.231 0.211 218 HB2 LEU 34 1HB LEU 34 -14.437 -14.726 1.059 219 HB3 LEU 34 2HB LEU 34 -14.755 -13.156 1.794 220 HG LEU 34 HG LEU 34 -16.494 -12.949 -0.167 221 HD11 LEU 34 1HD1 LEU 34 -17.117 -14.808 -1.250 222 HD12 LEU 34 2HD1 LEU 34 -16.944 -15.822 0.182 223 HD13 LEU 34 3HD1 LEU 34 -15.527 -15.415 -0.785 224 HD21 LEU 34 3HD2 LEU 34 -17.728 -14.747 1.669 225 HD22 LEU 34 1HD2 LEU 34 -17.861 -12.991 1.577 226 HD23 LEU 34 2HD2 LEU 34 -16.585 -13.728 2.546 227 H ALA 35 H ALA 35 -14.958 -12.046 -2.144 228 HA ALA 35 HA ALA 35 -15.130 -14.456 -3.709 229 HB1 ALA 35 3HB ALA 35 -15.695 -12.157 -5.284 230 HB2 ALA 35 1HB ALA 35 -16.815 -13.361 -4.644 231 HB3 ALA 35 2HB ALA 35 -16.414 -11.933 -3.689 232 H GLU 36 H GLU 36 -13.245 -11.464 -3.804 233 HA GLU 36 HA GLU 36 -11.877 -12.175 -6.226 234 HB2 GLU 36 1HB GLU 36 -10.860 -10.112 -6.098 235 HB3 GLU 36 2HB GLU 36 -12.324 -9.813 -5.172 236 HG2 GLU 36 1HG GLU 36 -11.038 -10.259 -3.098 237 HG3 GLU 36 2HG GLU 36 -9.580 -10.388 -4.081 238 H ARG 37 H ARG 37 -11.044 -12.123 -2.777 239 HA ARG 37 HA ARG 37 -8.392 -13.084 -3.155 240 HB2 ARG 37 1HB ARG 37 -8.521 -13.541 -0.671 241 HB3 ARG 37 2HB ARG 37 -8.824 -11.878 -1.157 242 HG2 ARG 37 1HG ARG 37 -11.010 -11.948 -0.542 243 HG3 ARG 37 2HG ARG 37 -11.167 -13.672 -0.886 244 HD2 ARG 37 1HD ARG 37 -11.257 -13.653 1.415 245 HD3 ARG 37 2HD ARG 37 -9.539 -13.936 1.133 246 HE ARG 37 HE ARG 37 -10.016 -11.169 1.330 247 HH11 ARG 37 1HH1 ARG 37 -9.947 -14.045 3.291 248 HH12 ARG 37 2HH1 ARG 37 -9.517 -13.202 4.742 249 HH21 ARG 37 1HH2 ARG 37 -9.451 -10.048 3.235 250 HH22 ARG 37 2HH2 ARG 37 -9.237 -10.929 4.710 251 H ASN 38 H ASN 38 -8.006 -15.023 -4.008 252 HA ASN 38 HA ASN 38 -9.752 -17.182 -4.107 253 HB2 ASN 38 1HB ASN 38 -6.781 -16.913 -4.409 254 HB3 ASN 38 2HB ASN 38 -7.515 -18.515 -4.405 255 HD21 ASN 38 1HD2 ASN 38 -6.580 -15.985 -6.303 256 HD22 ASN 38 2HD2 ASN 38 -7.518 -16.328 -7.713 257 H GLY 39 H GLY 39 -7.145 -16.504 -1.794 258 HA2 GLY 39 1HA GLY 39 -8.327 -18.560 -0.031 259 HA3 GLY 39 2HA GLY 39 -6.591 -18.321 -0.164 260 H ARG 40 H ARG 40 -6.559 -18.006 2.129 261 HA ARG 40 HA ARG 40 -7.911 -15.677 3.204 262 HB2 ARG 40 1HB ARG 40 -6.178 -17.833 4.379 263 HB3 ARG 40 2HB ARG 40 -6.560 -16.383 5.298 264 HG2 ARG 40 1HG ARG 40 -8.904 -16.867 5.206 265 HG3 ARG 40 2HG ARG 40 -8.624 -18.222 4.110 266 HD2 ARG 40 1HD ARG 40 -7.050 -19.010 6.091 267 HD3 ARG 40 2HD ARG 40 -8.147 -18.003 7.035 268 HE ARG 40 HE ARG 40 -9.572 -19.781 5.334 269 HH11 ARG 40 1HH1 ARG 40 -7.793 -19.619 8.322 270 HH12 ARG 40 2HH1 ARG 40 -8.624 -20.958 9.041 271 HH21 ARG 40 1HH2 ARG 40 -10.674 -21.545 6.270 272 HH22 ARG 40 2HH2 ARG 40 -10.263 -22.054 7.872 273 H ILE 41 H ILE 41 -6.663 -14.077 4.491 274 HA ILE 41 HA ILE 41 -4.221 -13.333 3.037 275 HB ILE 41 HB ILE 41 -5.829 -11.521 4.825 276 HG12 ILE 41 1HG1 ILE 41 -7.340 -12.336 3.103 277 HG13 ILE 41 2HG1 ILE 41 -6.900 -10.667 2.757 278 HG21 ILE 41 1HG2 ILE 41 -4.622 -10.144 2.698 279 HG22 ILE 41 2HG2 ILE 41 -4.169 -10.111 4.402 280 HG23 ILE 41 3HG2 ILE 41 -3.409 -11.269 3.310 281 HD11 ILE 41 3HD1 ILE 41 -5.168 -11.579 1.175 282 HD12 ILE 41 1HD1 ILE 41 -5.927 -13.156 1.393 283 HD13 ILE 41 2HD1 ILE 41 -6.851 -11.820 0.705 284 H ILE 42 H ILE 42 -2.347 -12.759 4.114 285 HA ILE 42 HA ILE 42 -2.278 -13.425 6.985 286 HB ILE 42 HB ILE 42 0.158 -14.004 6.565 287 HG12 ILE 42 1HG1 ILE 42 -0.837 -13.934 3.711 288 HG13 ILE 42 2HG1 ILE 42 0.468 -12.976 4.403 289 HG21 ILE 42 1HG2 ILE 42 -1.723 -15.633 6.898 290 HG22 ILE 42 2HG2 ILE 42 -1.815 -15.778 5.144 291 HG23 ILE 42 3HG2 ILE 42 -0.345 -16.257 5.992 292 HD11 ILE 42 3HD1 ILE 42 1.465 -14.690 3.124 293 HD12 ILE 42 1HD1 ILE 42 1.684 -15.130 4.817 294 HD13 ILE 42 2HD1 ILE 42 0.440 -15.926 3.853 295 H SER 43 H SER 43 -1.126 -11.305 4.438 296 HA SER 43 HA SER 43 -0.806 -9.120 6.221 297 HB2 SER 43 1HB SER 43 1.685 -10.529 5.262 298 HB3 SER 43 2HB SER 43 1.692 -8.836 5.756 299 HG SER 43 HG SER 43 1.150 -9.429 7.805 300 H TYR 44 H TYR 44 0.546 -7.312 4.976 301 HA TYR 44 HA TYR 44 -0.087 -7.445 2.113 302 HB2 TYR 44 1HB TYR 44 -0.824 -5.162 3.956 303 HB3 TYR 44 2HB TYR 44 -0.994 -5.145 2.204 304 HD1 TYR 44 2HD TYR 44 -2.003 -7.275 5.111 305 HD2 TYR 44 1HD TYR 44 -3.080 -5.613 1.345 306 HE1 TYR 44 2HE TYR 44 -4.246 -8.259 5.325 307 HE2 TYR 44 1HE TYR 44 -5.327 -6.592 1.549 308 HH TYR 44 HH TYR 44 -6.106 -8.988 3.632 309 H THR 45 H THR 45 0.867 -5.462 0.963 310 HA THR 45 HA THR 45 3.423 -4.680 2.190 311 HB THR 45 HB THR 45 3.097 -5.579 -0.680 312 HG1 THR 45 1HG THR 45 3.935 -6.864 1.661 313 HG21 THR 45 3HG2 THR 45 4.953 -4.395 -1.043 314 HG22 THR 45 1HG2 THR 45 5.796 -5.507 0.035 315 HG23 THR 45 2HG2 THR 45 5.113 -4.010 0.670 316 H VAL 46 H VAL 46 3.003 -2.564 2.539 317 HA VAL 46 HA VAL 46 1.585 -0.947 0.626 318 HB VAL 46 HB VAL 46 3.101 -0.106 3.101 319 HG11 VAL 46 1HG1 VAL 46 0.919 1.441 1.746 320 HG12 VAL 46 2HG1 VAL 46 2.120 2.003 2.910 321 HG13 VAL 46 3HG1 VAL 46 2.605 1.616 1.259 322 HG21 VAL 46 3HG2 VAL 46 1.146 -1.718 3.377 323 HG22 VAL 46 1HG2 VAL 46 1.079 -0.213 4.294 324 HG23 VAL 46 2HG2 VAL 46 0.122 -0.393 2.824 325 H VAL 47 H VAL 47 2.694 -0.741 -1.263 326 HA VAL 47 HA VAL 47 5.511 0.008 -1.213 327 HB VAL 47 HB VAL 47 3.687 -0.536 -3.560 328 HG11 VAL 47 1HG1 VAL 47 5.279 0.291 -4.865 329 HG12 VAL 47 2HG1 VAL 47 6.220 0.737 -3.440 330 HG13 VAL 47 3HG1 VAL 47 6.440 -0.848 -4.183 331 HG21 VAL 47 3HG2 VAL 47 4.383 -2.413 -1.875 332 HG22 VAL 47 1HG2 VAL 47 4.461 -2.703 -3.613 333 HG23 VAL 47 2HG2 VAL 47 5.930 -2.316 -2.716 334 H PHE 48 H PHE 48 6.053 2.075 -1.081 335 HA PHE 48 HA PHE 48 4.316 4.071 -2.378 336 HB2 PHE 48 1HB PHE 48 5.055 5.675 -0.632 337 HB3 PHE 48 2HB PHE 48 4.154 4.315 0.029 338 HD1 PHE 48 2HD PHE 48 5.536 2.352 0.961 339 HD2 PHE 48 1HD PHE 48 7.123 6.235 0.240 340 HE1 PHE 48 2HE PHE 48 7.385 1.880 2.513 341 HE2 PHE 48 1HE PHE 48 8.975 5.769 1.791 342 HZ PHE 48 HZ PHE 48 9.107 3.590 2.931 343 H ARG 49 H ARG 49 5.271 5.631 -3.616 344 HA ARG 49 HA ARG 49 8.144 5.959 -3.639 345 HB2 ARG 49 1HB ARG 49 8.156 4.137 -5.112 346 HB3 ARG 49 2HB ARG 49 6.654 4.630 -5.882 347 HG2 ARG 49 1HG ARG 49 7.857 6.580 -6.845 348 HG3 ARG 49 2HG ARG 49 9.354 5.922 -6.181 349 HD2 ARG 49 1HD ARG 49 9.101 5.312 -8.525 350 HD3 ARG 49 2HD ARG 49 9.041 3.884 -7.494 351 HE ARG 49 HE ARG 49 6.459 4.987 -8.131 352 HH11 ARG 49 1HH1 ARG 49 8.980 2.802 -9.124 353 HH12 ARG 49 2HH1 ARG 49 7.930 1.824 -10.094 354 HH21 ARG 49 1HH2 ARG 49 5.066 3.707 -9.405 355 HH22 ARG 49 2HH2 ARG 49 5.704 2.340 -10.254 356 H ASP 50 H ASP 50 8.833 7.797 -4.838 357 HA ASP 50 HA ASP 50 6.778 9.832 -5.034 358 HB2 ASP 50 1HB ASP 50 9.029 11.130 -5.762 359 HB3 ASP 50 2HB ASP 50 8.562 10.870 -4.083 360 H ILE 51 H ILE 51 5.641 9.951 -6.854 361 HA ILE 51 HA ILE 51 6.363 8.879 -9.327 362 HB ILE 51 HB ILE 51 4.545 10.215 -10.287 363 HG12 ILE 51 1HG1 ILE 51 4.152 11.447 -7.565 364 HG13 ILE 51 2HG1 ILE 51 5.106 12.240 -8.813 365 HG21 ILE 51 1HG2 ILE 51 3.996 8.154 -9.130 366 HG22 ILE 51 2HG2 ILE 51 3.890 9.020 -7.598 367 HG23 ILE 51 3HG2 ILE 51 2.725 9.351 -8.880 368 HD11 ILE 51 3HD1 ILE 51 2.718 12.978 -8.619 369 HD12 ILE 51 1HD1 ILE 51 3.228 12.466 -10.228 370 HD13 ILE 51 2HD1 ILE 51 2.257 11.388 -9.224 371 H ASN 52 H ASN 52 7.189 11.898 -7.851 372 HA ASN 52 HA ASN 52 8.090 13.080 -10.349 373 HB2 ASN 52 1HB ASN 52 8.224 14.087 -7.498 374 HB3 ASN 52 2HB ASN 52 8.744 15.002 -8.910 375 HD21 ASN 52 1HD2 ASN 52 6.049 13.779 -7.118 376 HD22 ASN 52 2HD2 ASN 52 4.825 14.671 -7.950 377 H SER 53 H SER 53 9.296 10.851 -8.250 378 HA SER 53 HA SER 53 12.050 11.455 -9.063 379 HB2 SER 53 1HB SER 53 11.010 11.158 -6.295 380 HB3 SER 53 2HB SER 53 12.554 10.384 -6.652 381 HG SER 53 HG SER 53 13.063 12.424 -6.046 382 H GLN 54 H GLN 54 13.466 9.436 -8.316 383 HA GLN 54 HA GLN 54 12.037 7.060 -9.304 384 HB2 GLN 54 1HB GLN 54 14.243 6.245 -10.054 385 HB3 GLN 54 2HB GLN 54 13.805 7.774 -10.804 386 HG2 GLN 54 1HG GLN 54 15.221 8.928 -9.110 387 HG3 GLN 54 2HG GLN 54 15.756 7.342 -8.558 388 HE21 GLN 54 1HE2 GLN 54 17.730 6.978 -9.252 389 HE22 GLN 54 2HE2 GLN 54 18.335 7.318 -10.834 390 H GLN 55 H GLN 55 12.102 7.937 -6.531 391 HA GLN 55 HA GLN 55 13.841 5.969 -5.248 392 HB2 GLN 55 1HB GLN 55 13.862 8.204 -4.295 393 HB3 GLN 55 2HB GLN 55 12.116 8.161 -4.087 394 HG2 GLN 55 1HG GLN 55 13.321 7.780 -1.990 395 HG3 GLN 55 2HG GLN 55 12.311 6.408 -2.445 396 HE21 GLN 55 1HE2 GLN 55 13.437 4.647 -3.620 397 HE22 GLN 55 2HE2 GLN 55 15.046 4.254 -3.131 398 H GLU 56 H GLU 56 12.928 3.991 -5.441 399 HA GLU 56 HA GLU 56 10.081 3.656 -4.909 400 HB2 GLU 56 1HB GLU 56 11.154 2.508 -6.842 401 HB3 GLU 56 2HB GLU 56 12.131 1.585 -5.709 402 HG2 GLU 56 1HG GLU 56 10.046 0.672 -4.731 403 HG3 GLU 56 2HG GLU 56 9.137 1.509 -5.989 404 H LEU 57 H LEU 57 9.242 2.632 -3.158 405 HA LEU 57 HA LEU 57 10.934 1.190 -1.311 406 HB2 LEU 57 1HB LEU 57 9.430 3.569 -0.262 407 HB3 LEU 57 2HB LEU 57 10.618 2.572 0.575 408 HG LEU 57 HG LEU 57 11.339 4.318 -1.766 409 HD11 LEU 57 1HD1 LEU 57 11.894 6.082 -0.328 410 HD12 LEU 57 2HD1 LEU 57 11.706 5.084 1.113 411 HD13 LEU 57 3HD1 LEU 57 10.286 5.571 0.187 412 HD21 LEU 57 3HD2 LEU 57 13.525 3.880 -1.232 413 HD22 LEU 57 1HD2 LEU 57 12.772 2.348 -0.789 414 HD23 LEU 57 2HD2 LEU 57 13.159 3.533 0.459 415 H GLN 58 H GLN 58 9.670 0.250 0.492 416 HA GLN 58 HA GLN 58 6.803 0.268 0.313 417 HB2 GLN 58 1HB GLN 58 6.494 -2.051 -0.282 418 HB3 GLN 58 2HB GLN 58 7.426 -1.257 -1.544 419 HG2 GLN 58 1HG GLN 58 9.453 -2.174 -0.116 420 HG3 GLN 58 2HG GLN 58 8.240 -3.350 0.389 421 HE21 GLN 58 1HE2 GLN 58 10.264 -4.414 -0.853 422 HE22 GLN 58 2HE2 GLN 58 9.897 -4.828 -2.490 423 H ASN 59 H ASN 59 5.815 -1.221 1.927 424 HA ASN 59 HA ASN 59 7.643 -1.990 4.085 425 HB2 ASN 59 1HB ASN 59 5.341 -0.066 4.289 426 HB3 ASN 59 2HB ASN 59 5.850 -1.011 5.685 427 HD21 ASN 59 1HD2 ASN 59 8.513 -1.036 5.548 428 HD22 ASN 59 2HD2 ASN 59 9.155 0.565 5.636 429 H ILE 60 H ILE 60 6.371 -3.203 5.843 430 HA ILE 60 HA ILE 60 4.151 -4.740 4.695 431 HB ILE 60 HB ILE 60 6.540 -6.000 6.048 432 HG12 ILE 60 1HG1 ILE 60 5.630 -6.215 3.171 433 HG13 ILE 60 2HG1 ILE 60 6.962 -5.204 3.720 434 HG21 ILE 60 1HG2 ILE 60 5.390 -7.912 6.213 435 HG22 ILE 60 2HG2 ILE 60 3.959 -6.899 6.032 436 HG23 ILE 60 3HG2 ILE 60 4.648 -7.711 4.626 437 HD11 ILE 60 3HD1 ILE 60 7.640 -7.381 2.728 438 HD12 ILE 60 1HD1 ILE 60 8.234 -7.107 4.366 439 HD13 ILE 60 2HD1 ILE 60 6.863 -8.183 4.093 440 H THR 61 H THR 61 2.571 -5.245 6.110 441 HA THR 61 HA THR 61 3.064 -5.202 8.970 442 HB THR 61 HB THR 61 2.612 -2.845 8.535 443 HG1 THR 61 1HG THR 61 1.540 -2.917 10.348 444 HG21 THR 61 3HG2 THR 61 1.144 -2.153 7.009 445 HG22 THR 61 1HG2 THR 61 -0.166 -3.009 7.821 446 HG23 THR 61 2HG2 THR 61 0.817 -3.840 6.615 447 H THR 62 H THR 62 1.538 -6.327 10.154 448 HA THR 62 HA THR 62 -0.124 -8.130 8.631 449 HB THR 62 HB THR 62 -0.669 -9.113 10.872 450 HG1 THR 62 1HG THR 62 1.289 -7.272 11.821 451 HG21 THR 62 3HG2 THR 62 1.101 -10.155 9.723 452 HG22 THR 62 1HG2 THR 62 1.739 -9.841 11.336 453 HG23 THR 62 2HG2 THR 62 2.189 -8.794 9.990 454 H ASP 63 H ASP 63 -0.717 -5.142 9.035 455 HA ASP 63 HA ASP 63 -3.511 -5.506 9.898 456 HB2 ASP 63 1HB ASP 63 -1.550 -3.347 10.543 457 HB3 ASP 63 2HB ASP 63 -3.251 -2.917 10.385 458 H THR 64 H THR 64 -5.039 -3.970 8.915 459 HA THR 64 HA THR 64 -4.539 -3.755 6.080 460 HB THR 64 HB THR 64 -6.945 -2.613 6.303 461 HG1 THR 64 1HG THR 64 -6.928 -2.670 8.599 462 HG21 THR 64 3HG2 THR 64 -6.437 -5.576 6.600 463 HG22 THR 64 1HG2 THR 64 -6.448 -4.677 5.083 464 HG23 THR 64 2HG2 THR 64 -7.931 -4.839 6.024 465 H ARG 65 H ARG 65 -3.207 -1.977 8.182 466 HA ARG 65 HA ARG 65 -3.602 0.513 6.703 467 HB2 ARG 65 1HB ARG 65 -3.794 1.856 8.682 468 HB3 ARG 65 2HB ARG 65 -5.019 0.597 8.760 469 HG2 ARG 65 1HG ARG 65 -3.985 -0.496 10.491 470 HG3 ARG 65 2HG ARG 65 -2.390 0.135 10.078 471 HD2 ARG 65 1HD ARG 65 -3.035 1.238 12.064 472 HD3 ARG 65 2HD ARG 65 -3.253 2.409 10.764 473 HE ARG 65 HE ARG 65 -5.695 1.236 11.010 474 HH11 ARG 65 1HH1 ARG 65 -3.526 2.834 13.215 475 HH12 ARG 65 2HH1 ARG 65 -4.793 3.430 14.235 476 HH21 ARG 65 1HH2 ARG 65 -7.372 2.015 12.345 477 HH22 ARG 65 2HH2 ARG 65 -6.981 2.963 13.740 478 H PHE 66 H PHE 66 -1.877 2.152 7.346 479 HA PHE 66 HA PHE 66 0.514 1.313 8.585 480 HB2 PHE 66 1HB PHE 66 0.563 -0.102 6.496 481 HB3 PHE 66 2HB PHE 66 0.683 1.391 5.570 482 HD1 PHE 66 1HD PHE 66 2.406 -0.867 7.879 483 HD2 PHE 66 2HD PHE 66 2.713 2.679 5.544 484 HE1 PHE 66 1HE PHE 66 4.849 -0.893 8.167 485 HE2 PHE 66 2HE PHE 66 5.157 2.658 5.828 486 HZ PHE 66 HZ PHE 66 6.228 0.871 7.140 487 H THR 67 H THR 67 2.243 2.906 8.382 488 HA THR 67 HA THR 67 1.334 5.498 7.328 489 HB THR 67 HB THR 67 2.626 5.048 10.025 490 HG1 THR 67 1HG THR 67 0.655 5.231 10.789 491 HG21 THR 67 3HG2 THR 67 2.710 7.313 8.316 492 HG22 THR 67 1HG2 THR 67 3.302 7.169 9.970 493 HG23 THR 67 2HG2 THR 67 1.647 7.697 9.669 494 H LEU 68 H LEU 68 2.709 5.930 5.724 495 HA LEU 68 HA LEU 68 5.315 4.917 5.485 496 HB2 LEU 68 1HB LEU 68 3.947 7.262 4.191 497 HB3 LEU 68 2HB LEU 68 5.577 6.748 3.762 498 HG LEU 68 HG LEU 68 4.433 5.669 2.129 499 HD11 LEU 68 1HD1 LEU 68 3.934 3.703 4.356 500 HD12 LEU 68 2HD1 LEU 68 5.505 3.962 3.598 501 HD13 LEU 68 3HD1 LEU 68 4.155 3.353 2.641 502 HD21 LEU 68 3HD2 LEU 68 2.188 5.411 2.029 503 HD22 LEU 68 1HD2 LEU 68 2.231 6.555 3.372 504 HD23 LEU 68 2HD2 LEU 68 2.069 4.827 3.690 505 H THR 69 H THR 69 7.234 6.504 5.129 506 HA THR 69 HA THR 69 7.331 8.781 6.879 507 HB THR 69 HB THR 69 9.046 7.960 8.394 508 HG1 THR 69 1HG THR 69 9.841 6.319 6.875 509 HG21 THR 69 3HG2 THR 69 6.700 6.060 8.360 510 HG22 THR 69 1HG2 THR 69 6.664 7.694 9.021 511 HG23 THR 69 2HG2 THR 69 7.704 6.470 9.751 512 H GLY 70 H GLY 70 9.698 9.582 7.043 513 HA2 GLY 70 1HA GLY 70 11.541 10.377 5.930 514 HA3 GLY 70 2HA GLY 70 11.655 8.776 5.214 515 H LEU 71 H LEU 71 8.941 10.980 4.822 516 HA LEU 71 HA LEU 71 9.536 11.067 1.944 517 HB2 LEU 71 1HB LEU 71 6.900 11.838 3.120 518 HB3 LEU 71 2HB LEU 71 7.265 11.221 1.510 519 HG LEU 71 HG LEU 71 7.482 9.518 3.982 520 HD11 LEU 71 1HD1 LEU 71 5.253 9.816 4.139 521 HD12 LEU 71 2HD1 LEU 71 5.224 8.648 2.819 522 HD13 LEU 71 3HD1 LEU 71 5.097 10.372 2.473 523 HD21 LEU 71 3HD2 LEU 71 7.596 9.081 1.036 524 HD22 LEU 71 1HD2 LEU 71 6.956 7.803 2.069 525 HD23 LEU 71 2HD2 LEU 71 8.597 8.398 2.318 526 H LYS 72 H LYS 72 8.841 13.077 0.808 527 HA LYS 72 HA LYS 72 9.724 15.403 2.352 528 HB2 LYS 72 1HB LYS 72 10.955 15.029 0.314 529 HB3 LYS 72 2HB LYS 72 9.469 14.929 -0.621 530 HG2 LYS 72 1HG LYS 72 9.062 17.344 0.177 531 HG3 LYS 72 2HG LYS 72 10.780 17.335 0.579 532 HD2 LYS 72 1HD LYS 72 9.746 16.557 -2.138 533 HD3 LYS 72 2HD LYS 72 10.154 18.222 -1.717 534 HE2 LYS 72 1HE LYS 72 12.402 17.101 -0.915 535 HE3 LYS 72 2HE LYS 72 11.926 15.855 -2.067 536 HZ1 LYS 72 3HZ LYS 72 13.155 18.292 -2.603 537 HZ2 LYS 72 1HZ LYS 72 11.594 18.385 -3.249 538 HZ3 LYS 72 2HZ LYS 72 12.628 17.131 -3.714 539 HA PRO 73 HA PRO 73 5.655 17.078 2.568 540 HB2 PRO 73 1HB PRO 73 6.301 19.687 2.948 541 HB3 PRO 73 2HB PRO 73 6.478 18.460 4.208 542 HG2 PRO 73 1HG PRO 73 8.551 19.612 2.382 543 HG3 PRO 73 2HG PRO 73 8.657 19.265 4.117 544 HD2 PRO 73 1HD PRO 73 9.704 17.622 2.237 545 HD3 PRO 73 2HD PRO 73 9.049 17.020 3.773 546 H ASP 74 H ASP 74 4.164 17.953 1.215 547 HA ASP 74 HA ASP 74 3.240 18.794 -0.686 548 HB2 ASP 74 1HB ASP 74 4.168 20.914 0.003 549 HB3 ASP 74 2HB ASP 74 5.751 20.477 -0.633 550 H THR 75 H THR 75 4.368 16.384 -1.053 551 HA THR 75 HA THR 75 5.260 16.544 -3.825 552 HB THR 75 HB THR 75 6.846 15.233 -1.627 553 HG1 THR 75 1HG THR 75 7.665 17.204 -2.113 554 HG21 THR 75 3HG2 THR 75 7.096 14.688 -4.587 555 HG22 THR 75 1HG2 THR 75 6.453 13.558 -3.397 556 HG23 THR 75 2HG2 THR 75 8.142 14.058 -3.315 557 H THR 76 H THR 76 4.120 15.165 -5.007 558 HA THR 76 HA THR 76 2.240 13.386 -3.926 559 HB THR 76 HB THR 76 3.405 13.268 -6.713 560 HG1 THR 76 1HG THR 76 1.060 14.671 -5.961 561 HG21 THR 76 3HG2 THR 76 1.846 11.738 -7.173 562 HG22 THR 76 1HG2 THR 76 0.581 12.712 -6.424 563 HG23 THR 76 2HG2 THR 76 1.553 11.620 -5.438 564 H TYR 77 H TYR 77 2.338 11.316 -3.304 565 HA TYR 77 HA TYR 77 4.771 9.784 -3.947 566 HB2 TYR 77 1HB TYR 77 3.441 10.248 -1.313 567 HB3 TYR 77 2HB TYR 77 4.203 8.688 -1.604 568 HD1 TYR 77 1HD TYR 77 6.645 8.576 -2.062 569 HD2 TYR 77 2HD TYR 77 4.742 12.201 -0.903 570 HE1 TYR 77 1HE TYR 77 8.835 9.531 -1.476 571 HE2 TYR 77 2HE TYR 77 6.926 13.166 -0.314 572 HH TYR 77 HH TYR 77 9.910 11.583 -1.109 573 H ASP 78 H ASP 78 4.116 8.287 -5.353 574 HA ASP 78 HA ASP 78 1.499 7.241 -5.509 575 HB2 ASP 78 1HB ASP 78 2.850 7.182 -7.474 576 HB3 ASP 78 2HB ASP 78 4.130 6.297 -6.648 577 H ILE 79 H ILE 79 0.774 6.350 -3.623 578 HA ILE 79 HA ILE 79 2.322 4.116 -2.497 579 HB ILE 79 HB ILE 79 0.028 5.595 -1.206 580 HG12 ILE 79 1HG1 ILE 79 2.846 5.886 -0.275 581 HG13 ILE 79 2HG1 ILE 79 2.358 6.782 -1.709 582 HG21 ILE 79 1HG2 ILE 79 2.062 3.987 0.264 583 HG22 ILE 79 2HG2 ILE 79 0.387 4.342 0.685 584 HG23 ILE 79 3HG2 ILE 79 0.748 3.157 -0.570 585 HD11 ILE 79 3HD1 ILE 79 2.160 7.794 0.719 586 HD12 ILE 79 1HD1 ILE 79 0.988 8.165 -0.544 587 HD13 ILE 79 2HD1 ILE 79 0.613 6.949 0.678 588 H LYS 80 H LYS 80 1.520 2.094 -2.480 589 HA LYS 80 HA LYS 80 -1.295 1.676 -3.188 590 HB2 LYS 80 1HB LYS 80 -0.346 -0.338 -4.581 591 HB3 LYS 80 2HB LYS 80 -0.442 1.269 -5.289 592 HG2 LYS 80 1HG LYS 80 2.010 1.439 -4.293 593 HG3 LYS 80 2HG LYS 80 1.927 -0.314 -4.481 594 HD2 LYS 80 1HD LYS 80 1.190 1.571 -6.704 595 HD3 LYS 80 2HD LYS 80 2.850 1.029 -6.445 596 HE2 LYS 80 1HE LYS 80 1.942 -1.335 -6.529 597 HE3 LYS 80 2HE LYS 80 0.431 -0.636 -7.108 598 HZ1 LYS 80 3HZ LYS 80 1.277 -0.337 -9.132 599 HZ2 LYS 80 1HZ LYS 80 2.527 -1.376 -8.661 600 HZ3 LYS 80 2HZ LYS 80 2.731 0.299 -8.547 601 H VAL 81 H VAL 81 -1.545 -0.954 -3.173 602 HA VAL 81 HA VAL 81 -0.099 -2.151 -0.968 603 HB VAL 81 HB VAL 81 -2.189 -0.728 -0.148 604 HG11 VAL 81 1HG1 VAL 81 -3.614 -2.191 -1.758 605 HG12 VAL 81 2HG1 VAL 81 -3.522 -3.385 -0.461 606 HG13 VAL 81 3HG1 VAL 81 -4.235 -1.801 -0.154 607 HG21 VAL 81 3HG2 VAL 81 -0.550 -2.441 1.026 608 HG22 VAL 81 1HG2 VAL 81 -1.998 -1.844 1.837 609 HG23 VAL 81 2HG2 VAL 81 -2.007 -3.434 1.073 610 H ARG 82 H ARG 82 -0.666 -4.419 -0.648 611 HA ARG 82 HA ARG 82 -2.341 -5.701 -2.621 612 HB2 ARG 82 1HB ARG 82 -0.621 -7.032 -3.650 613 HB3 ARG 82 2HB ARG 82 -0.185 -5.336 -3.817 614 HG2 ARG 82 1HG ARG 82 1.416 -5.525 -2.026 615 HG3 ARG 82 2HG ARG 82 0.918 -7.190 -1.718 616 HD2 ARG 82 1HD ARG 82 1.789 -7.926 -3.798 617 HD3 ARG 82 2HD ARG 82 2.012 -6.272 -4.366 618 HE ARG 82 HE ARG 82 3.522 -6.916 -2.002 619 HH11 ARG 82 1HH1 ARG 82 3.477 -6.944 -5.482 620 HH12 ARG 82 2HH1 ARG 82 5.202 -6.954 -5.635 621 HH21 ARG 82 1HH2 ARG 82 5.795 -6.928 -2.189 622 HH22 ARG 82 2HH2 ARG 82 6.520 -6.946 -3.761 623 H ALA 83 H ALA 83 -3.222 -7.493 -1.794 624 HA ALA 83 HA ALA 83 -2.558 -8.296 0.874 625 HB1 ALA 83 3HB ALA 83 -4.835 -8.378 -0.606 626 HB2 ALA 83 1HB ALA 83 -4.322 -10.065 -0.661 627 HB3 ALA 83 2HB ALA 83 -4.579 -9.271 0.893 628 H TRP 84 H TRP 84 -1.790 -10.310 1.572 629 HA TRP 84 HA TRP 84 -0.425 -11.907 -0.495 630 HB2 TRP 84 1HB TRP 84 0.558 -11.034 2.218 631 HB3 TRP 84 2HB TRP 84 1.275 -12.395 1.359 632 HD1 TRP 84 HD TRP 84 0.540 -8.645 0.637 633 HE1 TRP 84 1HE TRP 84 2.493 -7.717 -0.761 634 HE3 TRP 84 3HE TRP 84 3.275 -12.933 0.118 635 HZ2 TRP 84 2HZ TRP 84 4.876 -8.677 -1.929 636 HZ3 TRP 84 3HZ TRP 84 5.379 -12.843 -1.155 637 HH2 TRP 84 HH TRP 84 6.161 -10.758 -2.157 638 H THR 85 H THR 85 -0.379 -14.135 -0.222 639 HA THR 85 HA THR 85 -2.088 -15.191 1.935 640 HB THR 85 HB THR 85 -2.776 -16.993 0.336 641 HG1 THR 85 1HG THR 85 -2.487 -16.218 -1.964 642 HG21 THR 85 3HG2 THR 85 -3.833 -14.833 -1.178 643 HG22 THR 85 1HG2 THR 85 -3.671 -14.297 0.494 644 HG23 THR 85 2HG2 THR 85 -4.607 -15.744 0.118 645 H SER 86 H SER 86 -1.722 -17.551 2.344 646 HA SER 86 HA SER 86 0.844 -18.073 3.165 647 HB2 SER 86 1HB SER 86 -0.820 -19.463 4.067 648 HB3 SER 86 2HB SER 86 -1.444 -19.903 2.477 649 HG SER 86 HG SER 86 0.538 -21.055 3.942 650 H LYS 87 H LYS 87 -0.521 -18.454 -0.002 651 HA LYS 87 HA LYS 87 1.522 -20.167 -1.035 652 HB2 LYS 87 1HB LYS 87 -0.390 -18.363 -2.530 653 HB3 LYS 87 2HB LYS 87 0.543 -19.685 -3.220 654 HG2 LYS 87 1HG LYS 87 -1.274 -20.304 -0.958 655 HG3 LYS 87 2HG LYS 87 -1.991 -19.964 -2.534 656 HD2 LYS 87 1HD LYS 87 -0.284 -21.668 -3.438 657 HD3 LYS 87 2HD LYS 87 -0.108 -22.166 -1.754 658 HE2 LYS 87 1HE LYS 87 -2.544 -22.556 -1.652 659 HE3 LYS 87 2HE LYS 87 -2.662 -22.134 -3.360 660 HZ1 LYS 87 3HZ LYS 87 -1.604 -24.054 -4.000 661 HZ2 LYS 87 1HZ LYS 87 -2.471 -24.602 -2.654 662 HZ3 LYS 87 2HZ LYS 87 -0.819 -24.265 -2.516 663 H GLY 88 H GLY 88 0.768 -16.731 -1.671 664 HA2 GLY 88 1HA GLY 88 3.459 -15.885 -1.416 665 HA3 GLY 88 2HA GLY 88 3.073 -16.132 -3.113 666 H SER 89 H SER 89 2.728 -14.230 -4.038 667 HA SER 89 HA SER 89 1.077 -12.262 -2.591 668 HB2 SER 89 1HB SER 89 3.240 -11.304 -2.728 669 HB3 SER 89 2HB SER 89 3.465 -11.852 -4.389 670 HG SER 89 HG SER 89 1.949 -10.347 -5.061 671 H GLY 90 H GLY 90 0.085 -10.621 -4.185 672 HA2 GLY 90 1HA GLY 90 -0.809 -12.023 -6.623 673 HA3 GLY 90 2HA GLY 90 -1.967 -11.261 -5.542 674 HA PRO 91 HA PRO 91 -1.240 -8.078 -8.697 675 HB2 PRO 91 1HB PRO 91 -3.640 -6.865 -8.322 676 HB3 PRO 91 2HB PRO 91 -3.437 -8.300 -9.333 677 HG2 PRO 91 1HG PRO 91 -4.411 -8.095 -6.510 678 HG3 PRO 91 2HG PRO 91 -5.044 -9.078 -7.843 679 HD2 PRO 91 1HD PRO 91 -3.454 -10.102 -5.905 680 HD3 PRO 91 2HD PRO 91 -3.433 -10.705 -7.575 681 H LEU 92 H LEU 92 -1.510 -5.638 -8.537 682 HA LEU 92 HA LEU 92 -0.903 -4.755 -5.792 683 HB2 LEU 92 1HB LEU 92 0.382 -4.169 -8.398 684 HB3 LEU 92 2HB LEU 92 0.275 -2.848 -7.236 685 HG LEU 92 HG LEU 92 1.462 -5.489 -6.455 686 HD11 LEU 92 1HD1 LEU 92 3.610 -4.822 -7.165 687 HD12 LEU 92 2HD1 LEU 92 3.053 -3.203 -7.586 688 HD13 LEU 92 3HD1 LEU 92 2.547 -4.588 -8.553 689 HD21 LEU 92 3HD2 LEU 92 1.243 -2.777 -5.341 690 HD22 LEU 92 1HD2 LEU 92 2.828 -3.533 -5.178 691 HD23 LEU 92 2HD2 LEU 92 1.398 -4.334 -4.526 692 H SER 93 H SER 93 -2.389 -3.455 -4.967 693 HA SER 93 HA SER 93 -4.611 -2.472 -6.273 694 HB2 SER 93 1HB SER 93 -5.131 -1.347 -4.305 695 HB3 SER 93 2HB SER 93 -4.016 -2.584 -3.724 696 HG SER 93 HG SER 93 -3.329 0.094 -4.376 697 HA PRO 94 HA PRO 94 -3.388 1.044 -8.596 698 HB2 PRO 94 1HB PRO 94 -5.568 2.640 -8.332 699 HB3 PRO 94 2HB PRO 94 -5.564 1.175 -9.321 700 HG2 PRO 94 1HG PRO 94 -6.603 1.583 -6.543 701 HG3 PRO 94 2HG PRO 94 -7.335 0.696 -7.893 702 HD2 PRO 94 1HD PRO 94 -6.015 -0.544 -5.880 703 HD3 PRO 94 2HD PRO 94 -6.026 -1.169 -7.541 704 H SER 95 H SER 95 -1.820 2.356 -7.898 705 HA SER 95 HA SER 95 -1.482 3.427 -5.390 706 HB2 SER 95 1HB SER 95 -0.225 5.311 -6.839 707 HB3 SER 95 2HB SER 95 0.435 3.692 -6.604 708 HG SER 95 HG SER 95 -0.820 4.799 -8.858 709 H ILE 96 H ILE 96 -1.843 5.463 -4.453 710 HA ILE 96 HA ILE 96 -4.176 6.867 -5.557 711 HB ILE 96 HB ILE 96 -4.250 7.876 -3.193 712 HG12 ILE 96 1HG1 ILE 96 -2.525 5.453 -2.640 713 HG13 ILE 96 2HG1 ILE 96 -1.972 7.122 -2.555 714 HG21 ILE 96 1HG2 ILE 96 -5.791 6.301 -2.591 715 HG22 ILE 96 2HG2 ILE 96 -5.604 5.901 -4.298 716 HG23 ILE 96 3HG2 ILE 96 -4.764 4.951 -3.072 717 HD11 ILE 96 3HD1 ILE 96 -3.701 5.594 -0.701 718 HD12 ILE 96 1HD1 ILE 96 -2.418 6.756 -0.363 719 HD13 ILE 96 2HD1 ILE 96 -4.007 7.321 -0.881 720 H GLN 97 H GLN 97 -0.847 7.251 -4.674 721 HA GLN 97 HA GLN 97 0.631 8.959 -4.940 722 HB2 GLN 97 1HB GLN 97 -1.528 9.622 -6.872 723 HB3 GLN 97 2HB GLN 97 -0.376 10.895 -6.490 724 HG2 GLN 97 1HG GLN 97 1.354 9.834 -7.508 725 HG3 GLN 97 2HG GLN 97 0.710 8.227 -7.178 726 HE21 GLN 97 1HE2 GLN 97 0.241 7.199 -8.972 727 HE22 GLN 97 2HE2 GLN 97 -0.451 7.889 -10.397 728 H SER 98 H SER 98 -0.629 9.036 -2.586 729 HA SER 98 HA SER 98 -1.968 11.498 -2.057 730 HB2 SER 98 1HB SER 98 -1.923 9.216 -0.715 731 HB3 SER 98 2HB SER 98 -0.574 9.989 0.116 732 HG SER 98 HG SER 98 -2.305 11.838 0.120 733 H ARG 99 H ARG 99 -0.933 13.369 -2.343 734 HA ARG 99 HA ARG 99 1.895 13.647 -1.928 735 HB2 ARG 99 1HB ARG 99 0.955 14.954 -3.678 736 HB3 ARG 99 2HB ARG 99 -0.296 15.596 -2.621 737 HG2 ARG 99 1HG ARG 99 1.415 16.819 -1.358 738 HG3 ARG 99 2HG ARG 99 2.649 16.198 -2.456 739 HD2 ARG 99 1HD ARG 99 2.037 18.433 -3.122 740 HD3 ARG 99 2HD ARG 99 1.473 17.285 -4.336 741 HE ARG 99 HE ARG 99 -0.156 18.919 -2.585 742 HH11 ARG 99 1HH1 ARG 99 -0.017 16.206 -4.762 743 HH12 ARG 99 2HH1 ARG 99 -1.717 16.220 -5.096 744 HH21 ARG 99 1HH2 ARG 99 -2.395 18.948 -3.017 745 HH22 ARG 99 2HH2 ARG 99 -3.069 17.781 -4.104 746 H THR 100 H THR 100 2.763 13.803 0.024 747 HA THR 100 HA THR 100 1.572 14.094 2.439 748 HB THR 100 HB THR 100 3.695 14.950 3.338 749 HG1 THR 100 1HG THR 100 4.215 15.407 0.592 750 HG21 THR 100 3HG2 THR 100 5.133 13.118 2.603 751 HG22 THR 100 1HG2 THR 100 4.094 12.848 1.205 752 HG23 THR 100 2HG2 THR 100 3.477 12.556 2.832 753 H MET 101 H MET 101 1.348 15.844 3.953 754 HA MET 101 HA MET 101 0.099 18.126 2.824 755 HB2 MET 101 1HB MET 101 -0.542 18.652 4.965 756 HB3 MET 101 2HB MET 101 -0.205 16.938 5.161 757 HG2 MET 101 1HG MET 101 1.928 17.401 6.137 758 HG3 MET 101 2HG MET 101 1.771 19.118 5.775 759 HE1 MET 101 3HE MET 101 -0.535 16.660 8.819 760 HE2 MET 101 1HE MET 101 -1.551 17.199 7.482 761 HE3 MET 101 2HE MET 101 -0.117 16.225 7.161 762 HA PRO 102 HA PRO 102 3.566 20.783 2.235 763 HB2 PRO 102 1HB PRO 102 2.254 23.159 2.199 764 HB3 PRO 102 2HB PRO 102 2.195 22.009 0.859 765 HG2 PRO 102 1HG PRO 102 0.202 22.476 3.043 766 HG3 PRO 102 2HG PRO 102 -0.076 22.223 1.310 767 HD2 PRO 102 1HD PRO 102 -0.396 20.253 3.140 768 HD3 PRO 102 2HD PRO 102 0.148 19.935 1.480 769 H VAL 103 H VAL 103 4.783 20.663 4.100 770 HA VAL 103 HA VAL 103 4.192 21.372 6.660 771 HB VAL 103 HB VAL 103 6.312 20.404 6.253 772 HG11 VAL 103 1HG1 VAL 103 6.409 22.277 4.092 773 HG12 VAL 103 2HG1 VAL 103 7.879 22.413 5.059 774 HG13 VAL 103 3HG1 VAL 103 7.411 20.854 4.378 775 HG21 VAL 103 3HG2 VAL 103 6.617 23.258 7.171 776 HG22 VAL 103 1HG2 VAL 103 6.362 21.826 8.169 777 HG23 VAL 103 2HG2 VAL 103 7.887 22.042 7.310 Start of MODEL 6 1 H1 GLY 1 H GLY 1 8.201 -14.501 -18.053 2 HA2 GLY 1 1HA GLY 1 6.808 -16.308 -18.305 3 HA3 GLY 1 2HA GLY 1 7.497 -16.879 -16.793 4 H SER 2 H SER 2 4.672 -16.490 -18.184 5 HA SER 2 HA SER 2 3.238 -15.052 -16.134 6 HB2 SER 2 1HB SER 2 2.356 -16.612 -18.565 7 HB3 SER 2 2HB SER 2 1.214 -15.887 -17.434 8 HG SER 2 HG SER 2 2.926 -14.002 -18.002 9 H SER 3 H SER 3 4.691 -17.129 -15.013 10 HA SER 3 HA SER 3 2.659 -19.157 -14.373 11 HB2 SER 3 1HB SER 3 5.667 -19.201 -14.042 12 HB3 SER 3 2HB SER 3 4.590 -20.468 -13.454 13 HG SER 3 HG SER 3 5.324 -19.814 -16.063 14 H GLY 4 H GLY 4 1.493 -17.945 -12.863 15 HA2 GLY 4 1HA GLY 4 2.565 -18.011 -10.201 16 HA3 GLY 4 2HA GLY 4 2.391 -16.372 -10.812 17 H SER 5 H SER 5 0.470 -19.379 -10.752 18 HA SER 5 HA SER 5 -1.909 -17.745 -10.203 19 HB2 SER 5 1HB SER 5 -3.229 -19.506 -11.092 20 HB3 SER 5 2HB SER 5 -1.848 -19.363 -12.179 21 HG SER 5 HG SER 5 -1.086 -21.051 -10.363 22 H SER 6 H SER 6 -0.080 -18.195 -8.112 23 HA SER 6 HA SER 6 -1.394 -20.220 -6.442 24 HB2 SER 6 1HB SER 6 0.571 -19.843 -4.910 25 HB3 SER 6 2HB SER 6 0.993 -20.483 -6.498 26 HG SER 6 HG SER 6 2.338 -18.724 -5.805 27 H GLY 7 H GLY 7 0.053 -17.003 -5.879 28 HA2 GLY 7 1HA GLY 7 -1.352 -16.411 -3.554 29 HA3 GLY 7 2HA GLY 7 -0.684 -15.210 -4.650 30 HA PRO 8 HA PRO 8 -5.330 -14.816 -4.555 31 HB2 PRO 8 1HB PRO 8 -5.350 -12.156 -4.015 32 HB3 PRO 8 2HB PRO 8 -5.292 -13.392 -2.752 33 HG2 PRO 8 1HG PRO 8 -3.063 -11.768 -3.916 34 HG3 PRO 8 2HG PRO 8 -3.380 -12.180 -2.221 35 HD2 PRO 8 1HD PRO 8 -1.543 -13.488 -3.720 36 HD3 PRO 8 2HD PRO 8 -2.469 -14.287 -2.432 37 H SER 9 H SER 9 -6.657 -13.252 -5.871 38 HA SER 9 HA SER 9 -5.167 -12.382 -8.261 39 HB2 SER 9 1HB SER 9 -6.393 -14.314 -8.925 40 HB3 SER 9 2HB SER 9 -7.839 -13.777 -8.070 41 HG SER 9 HG SER 9 -7.304 -13.379 -10.572 42 H GLY 10 H GLY 10 -7.247 -11.519 -5.741 43 HA2 GLY 10 1HA GLY 10 -8.104 -9.089 -7.184 44 HA3 GLY 10 2HA GLY 10 -8.980 -9.799 -5.836 45 H PHE 11 H PHE 11 -8.152 -7.088 -6.009 46 HA PHE 11 HA PHE 11 -6.091 -6.979 -3.906 47 HB2 PHE 11 1HB PHE 11 -5.952 -4.507 -4.687 48 HB3 PHE 11 2HB PHE 11 -5.205 -5.752 -5.683 49 HD1 PHE 11 2HD PHE 11 -6.311 -6.495 -7.764 50 HD2 PHE 11 1HD PHE 11 -7.775 -3.217 -5.477 51 HE1 PHE 11 2HE PHE 11 -7.637 -5.744 -9.695 52 HE2 PHE 11 1HE PHE 11 -9.104 -2.461 -7.405 53 HZ PHE 11 HZ PHE 11 -9.035 -3.725 -9.518 54 HA PRO 12 HA PRO 12 -8.944 -5.262 -1.050 55 HB2 PRO 12 1HB PRO 12 -7.403 -3.459 0.271 56 HB3 PRO 12 2HB PRO 12 -7.225 -5.206 0.473 57 HG2 PRO 12 1HG PRO 12 -5.621 -3.319 -1.210 58 HG3 PRO 12 2HG PRO 12 -5.063 -4.649 -0.178 59 HD2 PRO 12 1HD PRO 12 -5.289 -4.886 -2.866 60 HD3 PRO 12 2HD PRO 12 -5.554 -6.251 -1.762 61 H GLN 13 H GLN 13 -9.983 -3.245 -0.316 62 HA GLN 13 HA GLN 13 -9.796 -1.095 -2.320 63 HB2 GLN 13 1HB GLN 13 -12.396 -1.703 -0.978 64 HB3 GLN 13 2HB GLN 13 -12.094 -0.953 -2.540 65 HG2 GLN 13 1HG GLN 13 -11.563 -3.855 -1.970 66 HG3 GLN 13 2HG GLN 13 -13.089 -3.249 -2.611 67 HE21 GLN 13 1HE2 GLN 13 -11.931 -5.042 -4.119 68 HE22 GLN 13 2HE2 GLN 13 -11.157 -4.343 -5.496 69 H ASN 14 H ASN 14 -11.272 0.840 -1.372 70 HA ASN 14 HA ASN 14 -11.394 2.537 0.138 71 HB2 ASN 14 1HB ASN 14 -11.340 0.112 1.861 72 HB3 ASN 14 2HB ASN 14 -11.043 1.661 2.645 73 HD21 ASN 14 1HD2 ASN 14 -13.174 0.727 -0.026 74 HD22 ASN 14 2HD2 ASN 14 -14.632 1.286 0.714 75 H LEU 15 H LEU 15 -8.820 1.667 -1.029 76 HA LEU 15 HA LEU 15 -6.803 2.107 0.962 77 HB2 LEU 15 1HB LEU 15 -6.532 0.743 -1.135 78 HB3 LEU 15 2HB LEU 15 -6.495 2.262 -2.028 79 HG LEU 15 HG LEU 15 -4.471 2.914 -0.768 80 HD11 LEU 15 1HD1 LEU 15 -4.884 0.214 0.469 81 HD12 LEU 15 2HD1 LEU 15 -4.598 1.764 1.259 82 HD13 LEU 15 3HD1 LEU 15 -3.289 0.962 0.391 83 HD21 LEU 15 3HD2 LEU 15 -4.712 1.109 -2.868 84 HD22 LEU 15 1HD2 LEU 15 -3.528 0.378 -1.784 85 HD23 LEU 15 2HD2 LEU 15 -3.267 2.009 -2.404 86 H HIS 16 H HIS 16 -6.469 4.032 1.846 87 HA HIS 16 HA HIS 16 -5.870 6.318 0.253 88 HB2 HIS 16 1HB HIS 16 -7.681 7.770 1.218 89 HB3 HIS 16 2HB HIS 16 -8.246 6.568 0.061 90 HD1 HIS 16 1HD HIS 16 -10.188 5.229 0.803 91 HD2 HIS 16 2HD HIS 16 -8.092 6.827 4.015 92 HE1 HIS 16 1HE HIS 16 -11.514 4.607 2.848 93 HE2 HIS 16 2HE HIS 16 -10.271 5.657 4.771 94 H VAL 17 H VAL 17 -5.974 8.356 1.945 95 HA VAL 17 HA VAL 17 -4.377 7.429 4.234 96 HB VAL 17 HB VAL 17 -3.150 8.912 2.770 97 HG11 VAL 17 1HG1 VAL 17 -4.509 11.386 3.177 98 HG12 VAL 17 2HG1 VAL 17 -4.128 10.567 1.661 99 HG13 VAL 17 3HG1 VAL 17 -5.640 10.217 2.499 100 HG21 VAL 17 3HG2 VAL 17 -3.324 9.176 5.455 101 HG22 VAL 17 1HG2 VAL 17 -2.188 10.072 4.446 102 HG23 VAL 17 2HG2 VAL 17 -3.707 10.819 4.943 103 H THR 18 H THR 18 -5.078 7.733 6.250 104 HA THR 18 HA THR 18 -7.601 9.157 6.638 105 HB THR 18 HB THR 18 -7.458 6.881 7.537 106 HG1 THR 18 1HG THR 18 -7.561 8.935 9.513 107 HG21 THR 18 3HG2 THR 18 -5.755 6.104 8.777 108 HG22 THR 18 1HG2 THR 18 -5.691 7.561 9.767 109 HG23 THR 18 2HG2 THR 18 -4.876 7.521 8.203 110 H GLY 19 H GLY 19 -4.283 9.662 7.017 111 HA2 GLY 19 1HA GLY 19 -4.606 12.243 8.102 112 HA3 GLY 19 2HA GLY 19 -4.133 11.143 9.388 113 H LEU 20 H LEU 20 -3.183 12.296 6.174 114 HA LEU 20 HA LEU 20 -0.571 11.221 6.234 115 HB2 LEU 20 1HB LEU 20 -0.250 12.265 4.236 116 HB3 LEU 20 2HB LEU 20 -2.011 12.239 4.289 117 HG LEU 20 HG LEU 20 -0.226 14.592 4.902 118 HD11 LEU 20 1HD1 LEU 20 -0.483 15.206 2.784 119 HD12 LEU 20 2HD1 LEU 20 -2.223 14.928 2.845 120 HD13 LEU 20 3HD1 LEU 20 -1.131 13.596 2.469 121 HD21 LEU 20 3HD2 LEU 20 -3.236 14.510 4.842 122 HD22 LEU 20 1HD2 LEU 20 -2.202 15.867 5.288 123 HD23 LEU 20 2HD2 LEU 20 -2.281 14.442 6.324 124 H THR 21 H THR 21 1.404 12.705 6.085 125 HA THR 21 HA THR 21 1.260 14.995 7.891 126 HB THR 21 HB THR 21 3.364 12.899 8.377 127 HG1 THR 21 1HG THR 21 1.085 12.149 8.709 128 HG21 THR 21 3HG2 THR 21 3.764 15.162 9.239 129 HG22 THR 21 1HG2 THR 21 3.532 14.005 10.550 130 HG23 THR 21 2HG2 THR 21 2.227 15.103 10.101 131 H THR 22 H THR 22 3.114 16.376 7.791 132 HA THR 22 HA THR 22 4.051 17.027 5.334 133 HB THR 22 HB THR 22 6.115 17.976 6.546 134 HG1 THR 22 1HG THR 22 4.597 17.244 8.840 135 HG21 THR 22 3HG2 THR 22 3.452 18.820 6.380 136 HG22 THR 22 1HG2 THR 22 4.868 19.819 6.704 137 HG23 THR 22 2HG2 THR 22 3.942 19.141 8.043 138 H SER 23 H SER 23 5.700 14.871 7.634 139 HA SER 23 HA SER 23 7.520 14.045 5.482 140 HB2 SER 23 1HB SER 23 8.842 13.005 7.356 141 HB3 SER 23 2HB SER 23 8.699 14.760 7.452 142 HG SER 23 HG SER 23 8.277 13.845 9.468 143 H THR 24 H THR 24 5.405 12.727 8.006 144 HA THR 24 HA THR 24 5.589 10.069 6.809 145 HB THR 24 HB THR 24 4.599 9.202 8.755 146 HG1 THR 24 1HG THR 24 3.319 10.371 10.106 147 HG21 THR 24 3HG2 THR 24 5.808 10.362 10.650 148 HG22 THR 24 1HG2 THR 24 6.334 11.560 9.469 149 HG23 THR 24 2HG2 THR 24 6.815 9.873 9.287 150 H THR 25 H THR 25 3.577 8.826 6.482 151 HA THR 25 HA THR 25 1.221 10.448 5.869 152 HB THR 25 HB THR 25 2.797 8.860 3.876 153 HG1 THR 25 1HG THR 25 2.972 11.138 3.885 154 HG21 THR 25 3HG2 THR 25 0.816 8.847 2.392 155 HG22 THR 25 1HG2 THR 25 -0.171 9.404 3.743 156 HG23 THR 25 2HG2 THR 25 0.607 7.822 3.812 157 H GLU 26 H GLU 26 -0.353 9.519 6.998 158 HA GLU 26 HA GLU 26 -0.282 6.770 7.780 159 HB2 GLU 26 1HB GLU 26 -2.322 8.964 8.079 160 HB3 GLU 26 2HB GLU 26 -2.652 7.318 8.600 161 HG2 GLU 26 1HG GLU 26 -0.458 7.545 9.937 162 HG3 GLU 26 2HG GLU 26 -0.673 9.276 9.684 163 H LEU 27 H LEU 27 -1.960 5.198 7.313 164 HA LEU 27 HA LEU 27 -3.403 5.613 4.801 165 HB2 LEU 27 1HB LEU 27 -1.646 3.226 5.353 166 HB3 LEU 27 2HB LEU 27 -2.671 3.452 3.937 167 HG LEU 27 HG LEU 27 -0.264 5.128 4.650 168 HD11 LEU 27 1HD1 LEU 27 -0.600 3.119 2.431 169 HD12 LEU 27 2HD1 LEU 27 0.241 2.797 3.946 170 HD13 LEU 27 3HD1 LEU 27 0.855 4.027 2.842 171 HD21 LEU 27 3HD2 LEU 27 -0.916 6.586 3.107 172 HD22 LEU 27 1HD2 LEU 27 -2.469 5.750 3.047 173 HD23 LEU 27 2HD2 LEU 27 -1.181 5.300 1.928 174 H ALA 28 H ALA 28 -5.016 3.880 4.397 175 HA ALA 28 HA ALA 28 -5.768 2.102 6.490 176 HB1 ALA 28 3HB ALA 28 -7.971 3.236 6.971 177 HB2 ALA 28 1HB ALA 28 -6.541 4.007 7.659 178 HB3 ALA 28 2HB ALA 28 -7.296 4.678 6.212 179 H TRP 29 H TRP 29 -6.255 0.459 5.175 180 HA TRP 29 HA TRP 29 -8.260 0.937 3.071 181 HB2 TRP 29 1HB TRP 29 -7.145 -0.755 1.681 182 HB3 TRP 29 2HB TRP 29 -6.065 0.589 2.040 183 HD1 TRP 29 HD TRP 29 -6.528 -3.136 2.680 184 HE1 TRP 29 1HE TRP 29 -4.376 -4.075 3.734 185 HE3 TRP 29 3HE TRP 29 -4.058 1.258 3.530 186 HZ2 TRP 29 2HZ TRP 29 -1.952 -3.084 4.787 187 HZ3 TRP 29 3HZ TRP 29 -1.827 1.176 4.565 188 HH2 TRP 29 HH TRP 29 -0.798 -0.951 5.180 189 H ASP 30 H ASP 30 -9.034 -1.408 2.290 190 HA ASP 30 HA ASP 30 -9.672 -2.946 4.722 191 HB2 ASP 30 1HB ASP 30 -11.900 -3.002 4.226 192 HB3 ASP 30 2HB ASP 30 -11.507 -1.467 3.455 193 HA PRO 31 HA PRO 31 -8.352 -6.596 2.681 194 HB2 PRO 31 1HB PRO 31 -10.151 -8.431 3.555 195 HB3 PRO 31 2HB PRO 31 -8.897 -7.746 4.594 196 HG2 PRO 31 1HG PRO 31 -11.788 -7.003 4.374 197 HG3 PRO 31 2HG PRO 31 -10.790 -7.194 5.827 198 HD2 PRO 31 1HD PRO 31 -11.371 -4.771 4.767 199 HD3 PRO 31 2HD PRO 31 -9.841 -5.106 5.602 200 HA PRO 32 HA PRO 32 -10.555 -7.315 -1.057 201 HB2 PRO 32 1HB PRO 32 -9.903 -9.895 -1.595 202 HB3 PRO 32 2HB PRO 32 -8.754 -8.561 -1.752 203 HG2 PRO 32 1HG PRO 32 -9.083 -10.525 0.483 204 HG3 PRO 32 2HG PRO 32 -7.594 -9.924 -0.268 205 HD2 PRO 32 1HD PRO 32 -8.522 -8.973 2.091 206 HD3 PRO 32 2HD PRO 32 -7.628 -7.961 0.939 207 H VAL 33 H VAL 33 -12.631 -7.702 -1.498 208 HA VAL 33 HA VAL 33 -14.487 -8.738 0.213 209 HB VAL 33 HB VAL 33 -15.957 -9.115 -1.755 210 HG11 VAL 33 1HG1 VAL 33 -16.221 -6.852 -2.253 211 HG12 VAL 33 2HG1 VAL 33 -15.433 -6.842 -0.674 212 HG13 VAL 33 3HG1 VAL 33 -14.493 -6.526 -2.132 213 HG21 VAL 33 3HG2 VAL 33 -15.203 -9.306 -3.858 214 HG22 VAL 33 1HG2 VAL 33 -14.049 -7.987 -3.662 215 HG23 VAL 33 2HG2 VAL 33 -13.635 -9.610 -3.112 216 H LEU 34 H LEU 34 -15.292 -10.701 0.748 217 HA LEU 34 HA LEU 34 -13.807 -12.987 0.637 218 HB2 LEU 34 1HB LEU 34 -15.699 -14.175 1.368 219 HB3 LEU 34 2HB LEU 34 -15.882 -12.539 1.997 220 HG LEU 34 HG LEU 34 -17.250 -13.390 -0.534 221 HD11 LEU 34 1HD1 LEU 34 -18.969 -14.398 0.544 222 HD12 LEU 34 2HD1 LEU 34 -18.752 -13.451 2.015 223 HD13 LEU 34 3HD1 LEU 34 -17.683 -14.812 1.678 224 HD21 LEU 34 3HD2 LEU 34 -17.062 -10.977 0.124 225 HD22 LEU 34 1HD2 LEU 34 -18.029 -11.359 1.549 226 HD23 LEU 34 2HD2 LEU 34 -18.712 -11.572 -0.063 227 H ALA 35 H ALA 35 -15.969 -11.733 -1.803 228 HA ALA 35 HA ALA 35 -16.277 -14.030 -3.379 229 HB1 ALA 35 3HB ALA 35 -16.748 -11.178 -3.668 230 HB2 ALA 35 1HB ALA 35 -16.267 -11.943 -5.183 231 HB3 ALA 35 2HB ALA 35 -17.667 -12.547 -4.294 232 H GLU 36 H GLU 36 -13.729 -11.592 -3.286 233 HA GLU 36 HA GLU 36 -12.234 -13.141 -5.294 234 HB2 GLU 36 1HB GLU 36 -12.263 -10.235 -4.576 235 HB3 GLU 36 2HB GLU 36 -10.812 -10.935 -5.281 236 HG2 GLU 36 1HG GLU 36 -13.561 -10.908 -6.505 237 HG3 GLU 36 2HG GLU 36 -12.181 -9.924 -6.992 238 H ARG 37 H ARG 37 -12.192 -14.295 -2.888 239 HA ARG 37 HA ARG 37 -9.539 -13.597 -1.812 240 HB2 ARG 37 1HB ARG 37 -12.091 -14.233 -0.423 241 HB3 ARG 37 2HB ARG 37 -10.610 -14.862 0.286 242 HG2 ARG 37 1HG ARG 37 -9.699 -12.547 0.282 243 HG3 ARG 37 2HG ARG 37 -11.280 -11.981 -0.258 244 HD2 ARG 37 1HD ARG 37 -12.269 -12.388 1.759 245 HD3 ARG 37 2HD ARG 37 -11.179 -13.719 2.146 246 HE ARG 37 HE ARG 37 -9.772 -11.265 2.120 247 HH11 ARG 37 1HH1 ARG 37 -12.046 -13.101 4.011 248 HH12 ARG 37 2HH1 ARG 37 -11.565 -12.392 5.517 249 HH21 ARG 37 1HH2 ARG 37 -9.130 -10.324 4.096 250 HH22 ARG 37 2HH2 ARG 37 -9.907 -10.812 5.564 251 H ASN 38 H ASN 38 -8.754 -15.101 -3.455 252 HA ASN 38 HA ASN 38 -9.321 -17.662 -3.955 253 HB2 ASN 38 1HB ASN 38 -6.616 -16.432 -3.447 254 HB3 ASN 38 2HB ASN 38 -6.794 -18.095 -4.001 255 HD21 ASN 38 1HD2 ASN 38 -5.395 -16.486 -5.565 256 HD22 ASN 38 2HD2 ASN 38 -6.286 -16.036 -6.975 257 H GLY 39 H GLY 39 -7.657 -16.550 -1.027 258 HA2 GLY 39 1HA GLY 39 -8.559 -18.964 0.344 259 HA3 GLY 39 2HA GLY 39 -6.823 -18.700 0.273 260 H ARG 40 H ARG 40 -6.025 -17.830 2.054 261 HA ARG 40 HA ARG 40 -7.680 -15.885 3.524 262 HB2 ARG 40 1HB ARG 40 -6.740 -16.710 5.608 263 HB3 ARG 40 2HB ARG 40 -7.504 -18.029 4.730 264 HG2 ARG 40 1HG ARG 40 -4.597 -17.592 4.326 265 HG3 ARG 40 2HG ARG 40 -5.134 -18.287 5.857 266 HD2 ARG 40 1HD ARG 40 -6.461 -19.945 4.466 267 HD3 ARG 40 2HD ARG 40 -5.546 -19.357 3.078 268 HE ARG 40 HE ARG 40 -3.727 -20.529 3.825 269 HH11 ARG 40 1HH1 ARG 40 -6.061 -20.279 6.396 270 HH12 ARG 40 2HH1 ARG 40 -5.214 -21.367 7.446 271 HH21 ARG 40 1HH2 ARG 40 -2.603 -21.962 5.198 272 HH22 ARG 40 2HH2 ARG 40 -3.247 -22.323 6.764 273 H ILE 41 H ILE 41 -6.667 -14.078 4.348 274 HA ILE 41 HA ILE 41 -4.122 -13.419 3.116 275 HB ILE 41 HB ILE 41 -5.658 -11.591 4.934 276 HG12 ILE 41 1HG1 ILE 41 -7.359 -12.328 3.442 277 HG13 ILE 41 2HG1 ILE 41 -6.803 -10.778 2.819 278 HG21 ILE 41 1HG2 ILE 41 -3.543 -11.350 2.879 279 HG22 ILE 41 2HG2 ILE 41 -4.732 -10.051 2.961 280 HG23 ILE 41 3HG2 ILE 41 -3.772 -10.458 4.383 281 HD11 ILE 41 3HD1 ILE 41 -5.374 -12.006 1.209 282 HD12 ILE 41 1HD1 ILE 41 -6.102 -13.509 1.776 283 HD13 ILE 41 2HD1 ILE 41 -7.102 -12.285 0.993 284 H ILE 42 H ILE 42 -2.312 -12.620 4.272 285 HA ILE 42 HA ILE 42 -2.244 -13.355 7.124 286 HB ILE 42 HB ILE 42 0.180 -13.978 6.744 287 HG12 ILE 42 1HG1 ILE 42 -0.730 -14.068 3.860 288 HG13 ILE 42 2HG1 ILE 42 0.406 -12.904 4.530 289 HG21 ILE 42 1HG2 ILE 42 -0.363 -16.236 5.982 290 HG22 ILE 42 2HG2 ILE 42 -1.562 -15.639 7.128 291 HG23 ILE 42 3HG2 ILE 42 -1.929 -15.666 5.404 292 HD11 ILE 42 3HD1 ILE 42 0.781 -15.855 4.151 293 HD12 ILE 42 1HD1 ILE 42 1.696 -14.530 3.432 294 HD13 ILE 42 2HD1 ILE 42 1.851 -14.877 5.155 295 H SER 43 H SER 43 -1.127 -11.257 4.559 296 HA SER 43 HA SER 43 -0.736 -9.081 6.345 297 HB2 SER 43 1HB SER 43 1.741 -8.801 5.757 298 HB3 SER 43 2HB SER 43 1.343 -10.043 6.945 299 HG SER 43 HG SER 43 2.674 -10.353 4.707 300 H TYR 44 H TYR 44 0.522 -7.248 5.068 301 HA TYR 44 HA TYR 44 -0.167 -7.371 2.221 302 HB2 TYR 44 1HB TYR 44 -1.018 -5.184 4.128 303 HB3 TYR 44 2HB TYR 44 -1.147 -5.082 2.375 304 HD1 TYR 44 2HD TYR 44 -2.178 -7.300 5.199 305 HD2 TYR 44 1HD TYR 44 -3.141 -5.694 1.379 306 HE1 TYR 44 2HE TYR 44 -4.382 -8.388 5.304 307 HE2 TYR 44 1HE TYR 44 -5.348 -6.777 1.473 308 HH TYR 44 HH TYR 44 -6.329 -8.850 2.705 309 H THR 45 H THR 45 0.898 -5.753 0.922 310 HA THR 45 HA THR 45 3.370 -4.745 2.174 311 HB THR 45 HB THR 45 2.970 -5.649 -0.685 312 HG1 THR 45 1HG THR 45 3.247 -7.212 1.209 313 HG21 THR 45 3HG2 THR 45 4.989 -4.800 -1.224 314 HG22 THR 45 1HG2 THR 45 5.684 -5.187 0.349 315 HG23 THR 45 2HG2 THR 45 4.708 -3.732 0.151 316 H VAL 46 H VAL 46 3.252 -2.615 2.428 317 HA VAL 46 HA VAL 46 1.648 -0.996 0.616 318 HB VAL 46 HB VAL 46 3.125 -0.291 3.153 319 HG11 VAL 46 1HG1 VAL 46 1.810 1.405 1.105 320 HG12 VAL 46 2HG1 VAL 46 1.552 1.821 2.800 321 HG13 VAL 46 3HG1 VAL 46 3.189 1.750 2.147 322 HG21 VAL 46 3HG2 VAL 46 0.910 -0.052 4.112 323 HG22 VAL 46 1HG2 VAL 46 0.171 -0.441 2.559 324 HG23 VAL 46 2HG2 VAL 46 1.097 -1.666 3.426 325 H VAL 47 H VAL 47 2.742 -0.770 -1.282 326 HA VAL 47 HA VAL 47 5.551 -0.000 -1.254 327 HB VAL 47 HB VAL 47 3.712 -0.480 -3.603 328 HG11 VAL 47 1HG1 VAL 47 5.340 0.272 -4.912 329 HG12 VAL 47 2HG1 VAL 47 6.236 0.765 -3.474 330 HG13 VAL 47 3HG1 VAL 47 6.492 -0.836 -4.168 331 HG21 VAL 47 3HG2 VAL 47 5.902 -2.335 -2.791 332 HG22 VAL 47 1HG2 VAL 47 4.354 -2.404 -1.948 333 HG23 VAL 47 2HG2 VAL 47 4.423 -2.666 -3.691 334 H PHE 48 H PHE 48 6.088 2.067 -1.093 335 HA PHE 48 HA PHE 48 4.320 4.079 -2.321 336 HB2 PHE 48 1HB PHE 48 5.058 5.653 -0.569 337 HB3 PHE 48 2HB PHE 48 4.243 4.249 0.112 338 HD1 PHE 48 2HD PHE 48 5.817 2.290 0.841 339 HD2 PHE 48 1HD PHE 48 7.066 6.326 0.324 340 HE1 PHE 48 2HE PHE 48 7.754 1.874 2.299 341 HE2 PHE 48 1HE PHE 48 9.006 5.916 1.781 342 HZ PHE 48 HZ PHE 48 9.352 3.688 2.772 343 H ARG 49 H ARG 49 5.240 5.663 -3.555 344 HA ARG 49 HA ARG 49 8.100 6.033 -3.637 345 HB2 ARG 49 1HB ARG 49 7.981 4.112 -5.069 346 HB3 ARG 49 2HB ARG 49 6.622 4.788 -5.956 347 HG2 ARG 49 1HG ARG 49 8.213 6.671 -6.617 348 HG3 ARG 49 2HG ARG 49 9.501 5.616 -6.032 349 HD2 ARG 49 1HD ARG 49 9.213 5.346 -8.425 350 HD3 ARG 49 2HD ARG 49 8.754 3.867 -7.583 351 HE ARG 49 HE ARG 49 6.568 4.189 -8.246 352 HH11 ARG 49 1HH1 ARG 49 8.479 6.999 -9.000 353 HH12 ARG 49 2HH1 ARG 49 7.259 7.723 -9.994 354 HH21 ARG 49 1HH2 ARG 49 4.953 5.132 -9.553 355 HH22 ARG 49 2HH2 ARG 49 5.253 6.661 -10.307 356 H ASP 50 H ASP 50 8.700 7.964 -4.581 357 HA ASP 50 HA ASP 50 6.611 9.914 -4.861 358 HB2 ASP 50 1HB ASP 50 8.591 10.674 -3.795 359 HB3 ASP 50 2HB ASP 50 9.615 10.048 -5.084 360 H ILE 51 H ILE 51 5.457 10.072 -6.663 361 HA ILE 51 HA ILE 51 6.123 8.994 -9.146 362 HB ILE 51 HB ILE 51 4.324 10.412 -10.077 363 HG12 ILE 51 1HG1 ILE 51 3.967 11.511 -7.292 364 HG13 ILE 51 2HG1 ILE 51 4.895 12.363 -8.521 365 HG21 ILE 51 1HG2 ILE 51 3.631 9.125 -7.439 366 HG22 ILE 51 2HG2 ILE 51 2.509 9.465 -8.756 367 HG23 ILE 51 3HG2 ILE 51 3.803 8.287 -8.981 368 HD11 ILE 51 3HD1 ILE 51 2.003 11.573 -8.767 369 HD12 ILE 51 1HD1 ILE 51 2.596 13.179 -8.343 370 HD13 ILE 51 2HD1 ILE 51 2.940 12.504 -9.936 371 H ASN 52 H ASN 52 7.390 11.716 -7.627 372 HA ASN 52 HA ASN 52 8.094 13.048 -10.134 373 HB2 ASN 52 1HB ASN 52 8.522 13.879 -7.256 374 HB3 ASN 52 2HB ASN 52 8.989 14.837 -8.658 375 HD21 ASN 52 1HD2 ASN 52 6.297 13.516 -6.863 376 HD22 ASN 52 2HD2 ASN 52 5.103 14.601 -7.481 377 H SER 53 H SER 53 9.371 10.861 -7.865 378 HA SER 53 HA SER 53 12.077 11.264 -8.962 379 HB2 SER 53 1HB SER 53 11.159 10.754 -6.172 380 HB3 SER 53 2HB SER 53 12.673 10.011 -6.686 381 HG SER 53 HG SER 53 13.592 11.894 -6.595 382 H GLN 54 H GLN 54 13.412 9.126 -8.467 383 HA GLN 54 HA GLN 54 11.788 6.898 -9.501 384 HB2 GLN 54 1HB GLN 54 13.918 6.048 -10.478 385 HB3 GLN 54 2HB GLN 54 13.403 7.594 -11.140 386 HG2 GLN 54 1HG GLN 54 14.979 8.647 -9.429 387 HG3 GLN 54 2HG GLN 54 15.647 7.027 -9.240 388 HE21 GLN 54 1HE2 GLN 54 15.222 9.723 -11.401 389 HE22 GLN 54 2HE2 GLN 54 16.417 9.245 -12.554 390 H GLN 55 H GLN 55 12.256 7.624 -6.683 391 HA GLN 55 HA GLN 55 13.925 5.403 -5.757 392 HB2 GLN 55 1HB GLN 55 14.418 7.506 -4.700 393 HB3 GLN 55 2HB GLN 55 12.723 7.763 -4.308 394 HG2 GLN 55 1HG GLN 55 13.910 7.096 -2.334 395 HG3 GLN 55 2HG GLN 55 12.799 5.813 -2.810 396 HE21 GLN 55 1HE2 GLN 55 13.825 4.138 -4.286 397 HE22 GLN 55 2HE2 GLN 55 15.403 3.593 -3.840 398 H GLU 56 H GLU 56 12.645 3.613 -6.054 399 HA GLU 56 HA GLU 56 9.908 3.576 -5.132 400 HB2 GLU 56 1HB GLU 56 10.823 2.310 -7.151 401 HB3 GLU 56 2HB GLU 56 11.542 1.196 -5.997 402 HG2 GLU 56 1HG GLU 56 9.261 0.804 -5.069 403 HG3 GLU 56 2HG GLU 56 8.618 1.771 -6.395 404 H LEU 57 H LEU 57 9.113 2.604 -3.323 405 HA LEU 57 HA LEU 57 10.835 1.024 -1.612 406 HB2 LEU 57 1HB LEU 57 9.562 3.503 -0.485 407 HB3 LEU 57 2HB LEU 57 10.698 2.412 0.306 408 HG LEU 57 HG LEU 57 11.478 4.062 -2.083 409 HD11 LEU 57 1HD1 LEU 57 12.013 4.887 0.747 410 HD12 LEU 57 2HD1 LEU 57 10.562 5.417 -0.104 411 HD13 LEU 57 3HD1 LEU 57 12.156 5.834 -0.734 412 HD21 LEU 57 3HD2 LEU 57 13.660 3.531 -1.520 413 HD22 LEU 57 1HD2 LEU 57 12.801 2.033 -1.161 414 HD23 LEU 57 2HD2 LEU 57 13.243 3.131 0.147 415 H GLN 58 H GLN 58 9.637 0.183 0.299 416 HA GLN 58 HA GLN 58 6.768 0.355 0.287 417 HB2 GLN 58 1HB GLN 58 6.318 -1.973 -0.224 418 HB3 GLN 58 2HB GLN 58 7.169 -1.225 -1.569 419 HG2 GLN 58 1HG GLN 58 9.278 -2.197 -0.324 420 HG3 GLN 58 2HG GLN 58 8.081 -3.311 0.334 421 HE21 GLN 58 1HE2 GLN 58 8.905 -5.082 -0.735 422 HE22 GLN 58 2HE2 GLN 58 8.761 -5.294 -2.444 423 H ASN 59 H ASN 59 5.845 -1.317 1.896 424 HA ASN 59 HA ASN 59 7.749 -2.009 3.999 425 HB2 ASN 59 1HB ASN 59 5.455 -0.088 4.296 426 HB3 ASN 59 2HB ASN 59 6.032 -1.023 5.673 427 HD21 ASN 59 1HD2 ASN 59 8.664 -1.033 5.485 428 HD22 ASN 59 2HD2 ASN 59 9.312 0.569 5.505 429 H ILE 60 H ILE 60 6.561 -3.220 5.813 430 HA ILE 60 HA ILE 60 4.335 -4.801 4.723 431 HB ILE 60 HB ILE 60 6.685 -5.986 6.202 432 HG12 ILE 60 1HG1 ILE 60 5.953 -6.199 3.274 433 HG13 ILE 60 2HG1 ILE 60 7.285 -5.246 3.919 434 HG21 ILE 60 1HG2 ILE 60 5.583 -7.946 6.266 435 HG22 ILE 60 2HG2 ILE 60 4.152 -6.927 6.117 436 HG23 ILE 60 3HG2 ILE 60 4.838 -7.698 4.687 437 HD11 ILE 60 3HD1 ILE 60 7.869 -7.492 2.934 438 HD12 ILE 60 1HD1 ILE 60 8.480 -7.166 4.555 439 HD13 ILE 60 2HD1 ILE 60 7.074 -8.209 4.335 440 H THR 61 H THR 61 2.716 -5.175 6.116 441 HA THR 61 HA THR 61 3.171 -5.009 8.987 442 HB THR 61 HB THR 61 2.666 -2.696 8.429 443 HG1 THR 61 1HG THR 61 0.640 -2.566 9.691 444 HG21 THR 61 3HG2 THR 61 -0.093 -3.040 7.623 445 HG22 THR 61 1HG2 THR 61 1.012 -3.793 6.473 446 HG23 THR 61 2HG2 THR 61 1.185 -2.084 6.873 447 H THR 62 H THR 62 1.755 -6.215 10.175 448 HA THR 62 HA THR 62 0.127 -8.097 8.732 449 HB THR 62 HB THR 62 -0.448 -8.890 11.108 450 HG1 THR 62 1HG THR 62 1.771 -7.241 11.777 451 HG21 THR 62 3HG2 THR 62 2.418 -9.169 11.078 452 HG22 THR 62 1HG2 THR 62 1.768 -9.327 9.447 453 HG23 THR 62 2HG2 THR 62 1.175 -10.373 10.737 454 H ASP 63 H ASP 63 -0.504 -5.054 9.232 455 HA ASP 63 HA ASP 63 -3.311 -5.494 10.020 456 HB2 ASP 63 1HB ASP 63 -1.406 -3.270 10.612 457 HB3 ASP 63 2HB ASP 63 -3.116 -2.884 10.435 458 H THR 64 H THR 64 -4.878 -4.024 8.999 459 HA THR 64 HA THR 64 -4.394 -3.881 6.158 460 HB THR 64 HB THR 64 -6.816 -2.771 6.357 461 HG1 THR 64 1HG THR 64 -7.726 -4.141 8.240 462 HG21 THR 64 3HG2 THR 64 -6.037 -5.016 5.363 463 HG22 THR 64 1HG2 THR 64 -7.722 -4.870 5.861 464 HG23 THR 64 2HG2 THR 64 -6.567 -5.715 6.892 465 H ARG 65 H ARG 65 -3.113 -2.008 8.235 466 HA ARG 65 HA ARG 65 -3.526 0.421 6.660 467 HB2 ARG 65 1HB ARG 65 -3.689 1.821 8.642 468 HB3 ARG 65 2HB ARG 65 -4.980 0.627 8.639 469 HG2 ARG 65 1HG ARG 65 -4.328 0.456 10.803 470 HG3 ARG 65 2HG ARG 65 -3.234 -0.730 10.089 471 HD2 ARG 65 1HD ARG 65 -1.467 0.937 9.981 472 HD3 ARG 65 2HD ARG 65 -2.561 2.160 10.626 473 HE ARG 65 HE ARG 65 -2.248 -0.143 12.323 474 HH11 ARG 65 1HH1 ARG 65 -0.988 2.987 11.464 475 HH12 ARG 65 2HH1 ARG 65 -0.214 3.240 12.993 476 HH21 ARG 65 1HH2 ARG 65 -1.233 0.179 14.341 477 HH22 ARG 65 2HH2 ARG 65 -0.353 1.641 14.629 478 H PHE 66 H PHE 66 -1.828 2.091 7.189 479 HA PHE 66 HA PHE 66 0.574 1.280 8.485 480 HB2 PHE 66 1HB PHE 66 0.634 -0.063 6.344 481 HB3 PHE 66 2HB PHE 66 0.741 1.464 5.475 482 HD1 PHE 66 1HD PHE 66 2.477 -0.833 7.745 483 HD2 PHE 66 2HD PHE 66 2.762 2.748 5.461 484 HE1 PHE 66 1HE PHE 66 4.920 -0.843 8.039 485 HE2 PHE 66 2HE PHE 66 5.205 2.743 5.751 486 HZ PHE 66 HZ PHE 66 6.288 0.945 7.041 487 H THR 67 H THR 67 2.261 2.916 8.349 488 HA THR 67 HA THR 67 1.327 5.514 7.339 489 HB THR 67 HB THR 67 2.499 5.012 10.081 490 HG1 THR 67 1HG THR 67 0.328 4.644 10.166 491 HG21 THR 67 3HG2 THR 67 2.487 7.382 8.408 492 HG22 THR 67 1HG2 THR 67 3.311 7.090 9.939 493 HG23 THR 67 2HG2 THR 67 1.637 7.648 9.930 494 H LEU 68 H LEU 68 2.752 5.934 5.765 495 HA LEU 68 HA LEU 68 5.389 5.004 5.631 496 HB2 LEU 68 1HB LEU 68 4.017 7.327 4.302 497 HB3 LEU 68 2HB LEU 68 5.675 6.857 3.934 498 HG LEU 68 HG LEU 68 4.600 5.783 2.243 499 HD11 LEU 68 1HD1 LEU 68 5.712 4.105 3.743 500 HD12 LEU 68 2HD1 LEU 68 4.456 3.456 2.690 501 HD13 LEU 68 3HD1 LEU 68 4.116 3.737 4.397 502 HD21 LEU 68 3HD2 LEU 68 2.351 6.600 3.221 503 HD22 LEU 68 1HD2 LEU 68 2.244 4.978 3.905 504 HD23 LEU 68 2HD2 LEU 68 2.358 5.192 2.158 505 H THR 69 H THR 69 7.296 6.600 5.392 506 HA THR 69 HA THR 69 7.275 8.888 7.131 507 HB THR 69 HB THR 69 8.911 8.092 8.744 508 HG1 THR 69 1HG THR 69 9.150 5.638 8.694 509 HG21 THR 69 3HG2 THR 69 6.578 6.182 8.578 510 HG22 THR 69 1HG2 THR 69 6.514 7.807 9.259 511 HG23 THR 69 2HG2 THR 69 7.513 6.570 10.022 512 H GLY 70 H GLY 70 9.536 9.819 7.345 513 HA2 GLY 70 1HA GLY 70 11.438 10.616 6.338 514 HA3 GLY 70 2HA GLY 70 11.648 8.998 5.685 515 H LEU 71 H LEU 71 9.047 11.339 5.106 516 HA LEU 71 HA LEU 71 9.747 11.253 2.247 517 HB2 LEU 71 1HB LEU 71 7.049 12.061 3.235 518 HB3 LEU 71 2HB LEU 71 7.509 11.371 1.680 519 HG LEU 71 HG LEU 71 7.603 9.772 4.224 520 HD11 LEU 71 1HD1 LEU 71 5.363 10.241 4.253 521 HD12 LEU 71 2HD1 LEU 71 5.381 8.846 3.175 522 HD13 LEU 71 3HD1 LEU 71 5.275 10.475 2.507 523 HD21 LEU 71 3HD2 LEU 71 7.844 9.237 1.309 524 HD22 LEU 71 1HD2 LEU 71 7.096 8.007 2.328 525 HD23 LEU 71 2HD2 LEU 71 8.739 8.550 2.666 526 H LYS 72 H LYS 72 8.631 13.281 1.119 527 HA LYS 72 HA LYS 72 9.644 15.636 2.564 528 HB2 LYS 72 1HB LYS 72 10.828 15.209 0.492 529 HB3 LYS 72 2HB LYS 72 9.314 15.137 -0.399 530 HG2 LYS 72 1HG LYS 72 8.969 17.554 0.406 531 HG3 LYS 72 2HG LYS 72 10.694 17.518 0.775 532 HD2 LYS 72 1HD LYS 72 9.588 16.771 -1.923 533 HD3 LYS 72 2HD LYS 72 10.048 18.423 -1.504 534 HE2 LYS 72 1HE LYS 72 12.290 17.283 -0.769 535 HE3 LYS 72 2HE LYS 72 11.758 16.002 -1.857 536 HZ1 LYS 72 3HZ LYS 72 11.383 18.065 -3.434 537 HZ2 LYS 72 1HZ LYS 72 12.885 17.294 -3.319 538 HZ3 LYS 72 2HZ LYS 72 12.603 18.729 -2.470 539 HA PRO 73 HA PRO 73 5.552 17.244 2.830 540 HB2 PRO 73 1HB PRO 73 6.157 19.873 3.138 541 HB3 PRO 73 2HB PRO 73 6.384 18.679 4.421 542 HG2 PRO 73 1HG PRO 73 8.395 19.825 2.523 543 HG3 PRO 73 2HG PRO 73 8.546 19.520 4.263 544 HD2 PRO 73 1HD PRO 73 9.582 17.854 2.397 545 HD3 PRO 73 2HD PRO 73 8.972 17.275 3.961 546 H ASP 74 H ASP 74 4.018 18.038 1.480 547 HA ASP 74 HA ASP 74 3.037 18.820 -0.418 548 HB2 ASP 74 1HB ASP 74 3.965 20.969 0.240 549 HB3 ASP 74 2HB ASP 74 5.511 20.559 -0.499 550 H THR 75 H THR 75 4.212 16.431 -0.759 551 HA THR 75 HA THR 75 5.073 16.562 -3.545 552 HB THR 75 HB THR 75 6.674 15.263 -1.347 553 HG1 THR 75 1HG THR 75 7.510 17.223 -1.785 554 HG21 THR 75 3HG2 THR 75 6.294 13.618 -3.157 555 HG22 THR 75 1HG2 THR 75 7.981 14.116 -3.036 556 HG23 THR 75 2HG2 THR 75 6.958 14.772 -4.314 557 H THR 76 H THR 76 3.934 15.162 -4.702 558 HA THR 76 HA THR 76 2.115 13.343 -3.540 559 HB THR 76 HB THR 76 3.101 13.332 -6.397 560 HG1 THR 76 1HG THR 76 2.303 15.391 -5.850 561 HG21 THR 76 3HG2 THR 76 0.314 12.652 -5.689 562 HG22 THR 76 1HG2 THR 76 1.544 11.481 -5.214 563 HG23 THR 76 2HG2 THR 76 1.378 11.949 -6.907 564 H TYR 77 H TYR 77 2.328 11.284 -2.930 565 HA TYR 77 HA TYR 77 4.738 9.820 -3.786 566 HB2 TYR 77 1HB TYR 77 3.567 10.194 -1.068 567 HB3 TYR 77 2HB TYR 77 4.318 8.647 -1.442 568 HD1 TYR 77 1HD TYR 77 6.732 8.650 -2.243 569 HD2 TYR 77 2HD TYR 77 4.876 12.058 -0.499 570 HE1 TYR 77 1HE TYR 77 8.948 9.606 -1.768 571 HE2 TYR 77 2HE TYR 77 7.086 13.024 -0.021 572 HH TYR 77 HH TYR 77 9.574 11.835 0.340 573 H ASP 78 H ASP 78 4.034 8.347 -5.195 574 HA ASP 78 HA ASP 78 1.447 7.254 -5.272 575 HB2 ASP 78 1HB ASP 78 2.698 7.182 -7.278 576 HB3 ASP 78 2HB ASP 78 4.064 6.395 -6.492 577 H ILE 79 H ILE 79 0.704 6.267 -3.469 578 HA ILE 79 HA ILE 79 2.313 4.061 -2.363 579 HB ILE 79 HB ILE 79 0.080 5.570 -1.001 580 HG12 ILE 79 1HG1 ILE 79 2.922 5.730 -0.111 581 HG13 ILE 79 2HG1 ILE 79 2.444 6.675 -1.518 582 HG21 ILE 79 1HG2 ILE 79 0.438 4.281 0.875 583 HG22 ILE 79 2HG2 ILE 79 0.680 3.102 -0.413 584 HG23 ILE 79 3HG2 ILE 79 2.072 3.833 0.386 585 HD11 ILE 79 3HD1 ILE 79 2.350 7.890 0.654 586 HD12 ILE 79 1HD1 ILE 79 0.837 7.884 -0.253 587 HD13 ILE 79 2HD1 ILE 79 1.040 6.812 1.134 588 H LYS 80 H LYS 80 1.555 2.045 -2.494 589 HA LYS 80 HA LYS 80 -1.296 1.643 -3.095 590 HB2 LYS 80 1HB LYS 80 -0.384 -0.370 -4.505 591 HB3 LYS 80 2HB LYS 80 -0.453 1.242 -5.205 592 HG2 LYS 80 1HG LYS 80 2.005 1.366 -4.222 593 HG3 LYS 80 2HG LYS 80 1.890 -0.386 -4.406 594 HD2 LYS 80 1HD LYS 80 1.152 1.482 -6.638 595 HD3 LYS 80 2HD LYS 80 2.821 0.971 -6.375 596 HE2 LYS 80 1HE LYS 80 2.017 -1.397 -6.481 597 HE3 LYS 80 2HE LYS 80 0.436 -0.779 -6.957 598 HZ1 LYS 80 3HZ LYS 80 2.967 -0.305 -8.438 599 HZ2 LYS 80 1HZ LYS 80 1.424 0.209 -8.906 600 HZ3 LYS 80 2HZ LYS 80 1.789 -1.442 -8.864 601 H VAL 81 H VAL 81 -1.523 -1.007 -3.104 602 HA VAL 81 HA VAL 81 -0.075 -2.210 -0.911 603 HB VAL 81 HB VAL 81 -2.132 -0.777 -0.047 604 HG11 VAL 81 1HG1 VAL 81 -3.589 -2.216 -1.668 605 HG12 VAL 81 2HG1 VAL 81 -3.528 -3.397 -0.359 606 HG13 VAL 81 3HG1 VAL 81 -4.199 -1.792 -0.069 607 HG21 VAL 81 3HG2 VAL 81 -1.964 -1.940 1.920 608 HG22 VAL 81 1HG2 VAL 81 -1.968 -3.511 1.119 609 HG23 VAL 81 2HG2 VAL 81 -0.514 -2.513 1.096 610 H ARG 82 H ARG 82 -0.716 -4.475 -0.558 611 HA ARG 82 HA ARG 82 -2.404 -5.738 -2.521 612 HB2 ARG 82 1HB ARG 82 -0.646 -7.154 -3.483 613 HB3 ARG 82 2HB ARG 82 -0.361 -5.453 -3.827 614 HG2 ARG 82 1HG ARG 82 1.354 -5.333 -2.169 615 HG3 ARG 82 2HG ARG 82 0.978 -6.959 -1.593 616 HD2 ARG 82 1HD ARG 82 1.676 -7.894 -3.727 617 HD3 ARG 82 2HD ARG 82 1.995 -6.276 -4.350 618 HE ARG 82 HE ARG 82 3.457 -7.001 -1.959 619 HH11 ARG 82 1HH1 ARG 82 3.431 -6.862 -5.437 620 HH12 ARG 82 2HH1 ARG 82 5.156 -6.910 -5.583 621 HH21 ARG 82 1HH2 ARG 82 5.730 -7.064 -2.137 622 HH22 ARG 82 2HH2 ARG 82 6.464 -7.025 -3.705 623 H ALA 83 H ALA 83 -3.275 -7.541 -1.697 624 HA ALA 83 HA ALA 83 -2.617 -8.339 0.967 625 HB1 ALA 83 3HB ALA 83 -4.914 -8.366 -0.224 626 HB2 ALA 83 1HB ALA 83 -4.391 -9.935 -0.838 627 HB3 ALA 83 2HB ALA 83 -4.517 -9.665 0.901 628 H TRP 84 H TRP 84 -1.882 -10.384 1.670 629 HA TRP 84 HA TRP 84 -0.444 -11.947 -0.372 630 HB2 TRP 84 1HB TRP 84 0.500 -11.033 2.340 631 HB3 TRP 84 2HB TRP 84 1.239 -12.402 1.513 632 HD1 TRP 84 HD TRP 84 0.500 -8.663 0.750 633 HE1 TRP 84 1HE TRP 84 2.454 -7.746 -0.653 634 HE3 TRP 84 3HE TRP 84 3.232 -12.956 0.260 635 HZ2 TRP 84 2HZ TRP 84 4.837 -8.716 -1.815 636 HZ3 TRP 84 3HZ TRP 84 5.336 -12.877 -1.013 637 HH2 TRP 84 HH TRP 84 6.120 -10.799 -2.028 638 H THR 85 H THR 85 -0.587 -14.134 -0.240 639 HA THR 85 HA THR 85 -2.271 -15.211 1.925 640 HB THR 85 HB THR 85 -2.923 -17.004 0.372 641 HG1 THR 85 1HG THR 85 -2.307 -16.785 -1.842 642 HG21 THR 85 3HG2 THR 85 -3.350 -14.176 -0.581 643 HG22 THR 85 1HG2 THR 85 -4.407 -15.142 0.449 644 HG23 THR 85 2HG2 THR 85 -4.208 -15.563 -1.253 645 H SER 86 H SER 86 -1.849 -17.462 2.542 646 HA SER 86 HA SER 86 0.668 -17.932 3.466 647 HB2 SER 86 1HB SER 86 -1.011 -19.332 4.322 648 HB3 SER 86 2HB SER 86 -1.539 -19.835 2.717 649 HG SER 86 HG SER 86 -0.221 -21.445 2.909 650 H LYS 87 H LYS 87 -0.507 -18.428 0.242 651 HA LYS 87 HA LYS 87 1.649 -20.115 -0.613 652 HB2 LYS 87 1HB LYS 87 -0.481 -18.572 -2.087 653 HB3 LYS 87 2HB LYS 87 0.764 -19.491 -2.924 654 HG2 LYS 87 1HG LYS 87 -0.863 -21.067 -2.860 655 HG3 LYS 87 2HG LYS 87 -0.092 -21.410 -1.310 656 HD2 LYS 87 1HD LYS 87 -1.771 -20.280 -0.107 657 HD3 LYS 87 2HD LYS 87 -2.391 -19.489 -1.558 658 HE2 LYS 87 1HE LYS 87 -2.763 -22.005 -2.310 659 HE3 LYS 87 2HE LYS 87 -2.812 -22.259 -0.566 660 HZ1 LYS 87 3HZ LYS 87 -4.695 -20.860 -2.291 661 HZ2 LYS 87 1HZ LYS 87 -4.430 -20.183 -0.764 662 HZ3 LYS 87 2HZ LYS 87 -4.978 -21.777 -0.898 663 H GLY 88 H GLY 88 0.757 -16.782 -1.547 664 HA2 GLY 88 1HA GLY 88 3.433 -15.827 -1.214 665 HA3 GLY 88 2HA GLY 88 3.045 -16.096 -2.907 666 H SER 89 H SER 89 2.574 -14.245 -3.869 667 HA SER 89 HA SER 89 0.841 -12.335 -2.444 668 HB2 SER 89 1HB SER 89 3.139 -11.470 -2.533 669 HB3 SER 89 2HB SER 89 3.151 -11.666 -4.285 670 HG SER 89 HG SER 89 1.278 -10.049 -2.903 671 H GLY 90 H GLY 90 -0.048 -10.660 -4.121 672 HA2 GLY 90 1HA GLY 90 -0.814 -12.091 -6.585 673 HA3 GLY 90 2HA GLY 90 -2.032 -11.329 -5.572 674 HA PRO 91 HA PRO 91 -1.210 -8.140 -8.678 675 HB2 PRO 91 1HB PRO 91 -3.588 -6.880 -8.317 676 HB3 PRO 91 2HB PRO 91 -3.407 -8.320 -9.327 677 HG2 PRO 91 1HG PRO 91 -4.394 -8.094 -6.509 678 HG3 PRO 91 2HG PRO 91 -5.037 -9.066 -7.845 679 HD2 PRO 91 1HD PRO 91 -3.479 -10.118 -5.897 680 HD3 PRO 91 2HD PRO 91 -3.460 -10.723 -7.566 681 H LEU 92 H LEU 92 -1.625 -5.657 -8.486 682 HA LEU 92 HA LEU 92 -0.928 -4.801 -5.754 683 HB2 LEU 92 1HB LEU 92 0.322 -4.194 -8.373 684 HB3 LEU 92 2HB LEU 92 0.227 -2.882 -7.199 685 HG LEU 92 HG LEU 92 1.415 -5.518 -6.421 686 HD11 LEU 92 1HD1 LEU 92 3.316 -5.225 -7.555 687 HD12 LEU 92 2HD1 LEU 92 3.331 -3.486 -7.265 688 HD13 LEU 92 3HD1 LEU 92 2.375 -4.149 -8.590 689 HD21 LEU 92 3HD2 LEU 92 1.204 -2.814 -5.332 690 HD22 LEU 92 1HD2 LEU 92 2.832 -3.489 -5.259 691 HD23 LEU 92 2HD2 LEU 92 1.487 -4.351 -4.513 692 H SER 93 H SER 93 -2.384 -3.488 -4.900 693 HA SER 93 HA SER 93 -4.623 -2.496 -6.202 694 HB2 SER 93 1HB SER 93 -5.165 -1.436 -4.205 695 HB3 SER 93 2HB SER 93 -4.051 -2.687 -3.651 696 HG SER 93 HG SER 93 -3.366 0.011 -4.214 697 HA PRO 94 HA PRO 94 -3.375 1.091 -8.400 698 HB2 PRO 94 1HB PRO 94 -5.561 2.675 -8.115 699 HB3 PRO 94 2HB PRO 94 -5.542 1.241 -9.149 700 HG2 PRO 94 1HG PRO 94 -6.617 1.562 -6.373 701 HG3 PRO 94 2HG PRO 94 -7.331 0.715 -7.758 702 HD2 PRO 94 1HD PRO 94 -6.033 -0.584 -5.768 703 HD3 PRO 94 2HD PRO 94 -6.023 -1.157 -7.448 704 H SER 95 H SER 95 -1.788 2.323 -7.591 705 HA SER 95 HA SER 95 -1.420 3.311 -5.094 706 HB2 SER 95 1HB SER 95 0.349 3.559 -6.660 707 HB3 SER 95 2HB SER 95 -0.650 4.519 -7.750 708 HG SER 95 HG SER 95 -0.651 6.170 -6.171 709 H ILE 96 H ILE 96 -1.700 5.389 -4.100 710 HA ILE 96 HA ILE 96 -4.197 6.696 -4.946 711 HB ILE 96 HB ILE 96 -4.161 7.601 -2.549 712 HG12 ILE 96 1HG1 ILE 96 -2.363 5.224 -2.076 713 HG13 ILE 96 2HG1 ILE 96 -1.738 6.863 -2.230 714 HG21 ILE 96 1HG2 ILE 96 -5.825 6.052 -3.042 715 HG22 ILE 96 2HG2 ILE 96 -4.668 4.748 -3.304 716 HG23 ILE 96 3HG2 ILE 96 -4.989 5.326 -1.669 717 HD11 ILE 96 3HD1 ILE 96 -1.948 6.353 0.083 718 HD12 ILE 96 1HD1 ILE 96 -3.203 7.521 -0.330 719 HD13 ILE 96 2HD1 ILE 96 -3.615 5.817 -0.129 720 H GLN 97 H GLN 97 -0.832 7.197 -4.278 721 HA GLN 97 HA GLN 97 0.549 8.978 -4.582 722 HB2 GLN 97 1HB GLN 97 -1.772 9.619 -6.322 723 HB3 GLN 97 2HB GLN 97 -0.651 10.926 -5.970 724 HG2 GLN 97 1HG GLN 97 1.032 9.999 -7.171 725 HG3 GLN 97 2HG GLN 97 0.511 8.349 -6.838 726 HE21 GLN 97 1HE2 GLN 97 -0.072 7.333 -8.604 727 HE22 GLN 97 2HE2 GLN 97 -0.906 8.017 -9.953 728 H SER 98 H SER 98 -0.537 8.903 -2.141 729 HA SER 98 HA SER 98 -1.954 11.253 -1.395 730 HB2 SER 98 1HB SER 98 -1.740 8.992 -0.133 731 HB3 SER 98 2HB SER 98 -0.245 9.673 0.510 732 HG SER 98 HG SER 98 -1.877 11.571 0.893 733 H ARG 99 H ARG 99 -1.043 13.177 -1.813 734 HA ARG 99 HA ARG 99 1.786 13.626 -1.540 735 HB2 ARG 99 1HB ARG 99 0.656 14.809 -3.288 736 HB3 ARG 99 2HB ARG 99 -0.531 15.456 -2.163 737 HG2 ARG 99 1HG ARG 99 1.168 16.820 -1.106 738 HG3 ARG 99 2HG ARG 99 2.404 16.127 -2.157 739 HD2 ARG 99 1HD ARG 99 1.935 18.094 -3.253 740 HD3 ARG 99 2HD ARG 99 0.841 16.977 -4.068 741 HE ARG 99 HE ARG 99 -0.589 18.039 -1.966 742 HH11 ARG 99 1HH1 ARG 99 1.034 19.248 -4.799 743 HH12 ARG 99 2HH1 ARG 99 -0.029 20.603 -4.990 744 HH21 ARG 99 1HH2 ARG 99 -1.995 19.819 -2.207 745 HH22 ARG 99 2HH2 ARG 99 -1.751 20.927 -3.514 746 H THR 100 H THR 100 2.687 13.823 0.398 747 HA THR 100 HA THR 100 1.563 14.148 2.835 748 HB THR 100 HB THR 100 3.674 15.068 3.658 749 HG1 THR 100 1HG THR 100 4.172 15.486 0.889 750 HG21 THR 100 3HG2 THR 100 3.613 12.793 1.758 751 HG22 THR 100 1HG2 THR 100 4.023 12.825 3.473 752 HG23 THR 100 2HG2 THR 100 5.200 13.363 2.274 753 H MET 101 H MET 101 1.176 15.883 4.272 754 HA MET 101 HA MET 101 -0.145 18.094 3.138 755 HB2 MET 101 1HB MET 101 -0.740 18.651 5.281 756 HB3 MET 101 2HB MET 101 -0.300 16.966 5.525 757 HG2 MET 101 1HG MET 101 1.849 17.592 6.385 758 HG3 MET 101 2HG MET 101 1.554 19.285 5.997 759 HE1 MET 101 3HE MET 101 -0.450 16.715 9.144 760 HE2 MET 101 1HE MET 101 -1.597 17.241 7.911 761 HE3 MET 101 2HE MET 101 -0.159 16.331 7.447 762 HA PRO 102 HA PRO 102 3.207 20.845 2.324 763 HB2 PRO 102 1HB PRO 102 1.782 23.150 2.154 764 HB3 PRO 102 2HB PRO 102 1.769 21.916 0.887 765 HG2 PRO 102 1HG PRO 102 -0.230 22.423 3.057 766 HG3 PRO 102 2HG PRO 102 -0.507 22.050 1.346 767 HD2 PRO 102 1HD PRO 102 -0.719 20.185 3.297 768 HD3 PRO 102 2HD PRO 102 -0.171 19.790 1.655 769 H VAL 103 H VAL 103 4.458 20.931 4.159 770 HA VAL 103 HA VAL 103 4.004 21.622 6.689 771 HB VAL 103 HB VAL 103 6.241 21.153 6.111 772 HG11 VAL 103 1HG1 VAL 103 5.778 23.148 4.024 773 HG12 VAL 103 2HG1 VAL 103 7.372 23.250 4.774 774 HG13 VAL 103 3HG1 VAL 103 6.840 21.740 4.034 775 HG21 VAL 103 3HG2 VAL 103 6.136 22.613 8.001 776 HG22 VAL 103 1HG2 VAL 103 7.503 23.117 7.008 777 HG23 VAL 103 2HG2 VAL 103 5.997 24.033 6.966 Start of MODEL 7 1 H1 GLY 1 H GLY 1 8.195 -11.573 -15.479 2 HA2 GLY 1 1HA GLY 1 10.107 -11.434 -13.302 3 HA3 GLY 1 2HA GLY 1 9.143 -9.983 -13.531 4 H SER 2 H SER 2 8.968 -11.238 -11.154 5 HA SER 2 HA SER 2 7.179 -13.291 -10.785 6 HB2 SER 2 1HB SER 2 7.530 -10.799 -9.103 7 HB3 SER 2 2HB SER 2 6.670 -12.246 -8.578 8 HG SER 2 HG SER 2 8.519 -13.302 -8.387 9 H SER 3 H SER 3 5.353 -13.439 -11.959 10 HA SER 3 HA SER 3 3.609 -11.116 -12.230 11 HB2 SER 3 1HB SER 3 3.872 -13.741 -13.616 12 HB3 SER 3 2HB SER 3 2.278 -12.986 -13.591 13 HG SER 3 HG SER 3 4.468 -11.395 -14.274 14 H GLY 4 H GLY 4 3.383 -14.503 -11.141 15 HA2 GLY 4 1HA GLY 4 1.745 -13.828 -8.915 16 HA3 GLY 4 2HA GLY 4 0.771 -14.487 -10.221 17 H SER 5 H SER 5 2.660 -15.214 -7.539 18 HA SER 5 HA SER 5 3.217 -17.949 -8.408 19 HB2 SER 5 1HB SER 5 4.517 -18.140 -6.339 20 HB3 SER 5 2HB SER 5 5.009 -16.711 -7.248 21 HG SER 5 HG SER 5 4.486 -15.570 -5.577 22 H SER 6 H SER 6 0.996 -18.606 -8.475 23 HA SER 6 HA SER 6 -1.001 -19.350 -7.621 24 HB2 SER 6 1HB SER 6 0.838 -20.446 -5.482 25 HB3 SER 6 2HB SER 6 -0.727 -21.099 -5.967 26 HG SER 6 HG SER 6 1.149 -22.166 -6.895 27 H GLY 7 H GLY 7 -0.322 -16.682 -6.762 28 HA2 GLY 7 1HA GLY 7 -1.187 -16.578 -3.971 29 HA3 GLY 7 2HA GLY 7 -0.605 -15.224 -4.928 30 HA PRO 8 HA PRO 8 -5.225 -14.902 -4.537 31 HB2 PRO 8 1HB PRO 8 -5.223 -12.289 -3.800 32 HB3 PRO 8 2HB PRO 8 -5.066 -13.614 -2.641 33 HG2 PRO 8 1HG PRO 8 -2.938 -11.882 -3.837 34 HG3 PRO 8 2HG PRO 8 -3.129 -12.422 -2.159 35 HD2 PRO 8 1HD PRO 8 -1.396 -13.594 -3.878 36 HD3 PRO 8 2HD PRO 8 -2.221 -14.497 -2.591 37 H SER 9 H SER 9 -6.612 -13.966 -6.014 38 HA SER 9 HA SER 9 -5.314 -12.542 -8.238 39 HB2 SER 9 1HB SER 9 -6.477 -14.811 -8.607 40 HB3 SER 9 2HB SER 9 -7.987 -13.923 -8.400 41 HG SER 9 HG SER 9 -6.100 -12.892 -10.179 42 H GLY 10 H GLY 10 -6.280 -11.293 -5.773 43 HA2 GLY 10 1HA GLY 10 -8.005 -9.302 -7.037 44 HA3 GLY 10 2HA GLY 10 -8.622 -10.082 -5.588 45 H PHE 11 H PHE 11 -8.311 -7.366 -5.645 46 HA PHE 11 HA PHE 11 -6.066 -6.987 -3.782 47 HB2 PHE 11 1HB PHE 11 -5.915 -4.623 -4.691 48 HB3 PHE 11 2HB PHE 11 -5.349 -5.896 -5.768 49 HD1 PHE 11 2HD PHE 11 -6.768 -6.613 -7.675 50 HD2 PHE 11 1HD PHE 11 -7.732 -3.233 -5.274 51 HE1 PHE 11 2HE PHE 11 -8.291 -5.805 -9.430 52 HE2 PHE 11 1HE PHE 11 -9.257 -2.420 -7.025 53 HZ PHE 11 HZ PHE 11 -9.538 -3.706 -9.106 54 HA PRO 12 HA PRO 12 -8.976 -5.269 -0.982 55 HB2 PRO 12 1HB PRO 12 -7.453 -3.423 0.301 56 HB3 PRO 12 2HB PRO 12 -7.264 -5.163 0.547 57 HG2 PRO 12 1HG PRO 12 -5.665 -3.309 -1.175 58 HG3 PRO 12 2HG PRO 12 -5.103 -4.609 -0.108 59 HD2 PRO 12 1HD PRO 12 -5.315 -4.915 -2.790 60 HD3 PRO 12 2HD PRO 12 -5.577 -6.253 -1.653 61 H GLN 13 H GLN 13 -9.995 -3.214 -0.274 62 HA GLN 13 HA GLN 13 -9.824 -1.123 -2.340 63 HB2 GLN 13 1HB GLN 13 -12.428 -1.696 -0.996 64 HB3 GLN 13 2HB GLN 13 -12.118 -1.004 -2.582 65 HG2 GLN 13 1HG GLN 13 -11.646 -3.888 -1.870 66 HG3 GLN 13 2HG GLN 13 -13.110 -3.275 -2.635 67 HE21 GLN 13 1HE2 GLN 13 -11.843 -5.185 -3.946 68 HE22 GLN 13 2HE2 GLN 13 -10.991 -4.566 -5.316 69 H ASN 14 H ASN 14 -11.219 0.864 -1.482 70 HA ASN 14 HA ASN 14 -11.329 2.608 -0.026 71 HB2 ASN 14 1HB ASN 14 -11.450 0.233 1.763 72 HB3 ASN 14 2HB ASN 14 -11.136 1.794 2.514 73 HD21 ASN 14 1HD2 ASN 14 -13.109 1.101 -0.320 74 HD22 ASN 14 2HD2 ASN 14 -14.602 1.636 0.365 75 H LEU 15 H LEU 15 -8.786 1.805 -1.117 76 HA LEU 15 HA LEU 15 -6.814 2.116 0.962 77 HB2 LEU 15 1HB LEU 15 -6.489 0.754 -1.116 78 HB3 LEU 15 2HB LEU 15 -6.424 2.264 -2.022 79 HG LEU 15 HG LEU 15 -4.418 2.915 -0.748 80 HD11 LEU 15 1HD1 LEU 15 -3.276 1.027 0.514 81 HD12 LEU 15 2HD1 LEU 15 -4.852 0.238 0.541 82 HD13 LEU 15 3HD1 LEU 15 -4.641 1.810 1.311 83 HD21 LEU 15 3HD2 LEU 15 -4.646 0.947 -2.752 84 HD22 LEU 15 1HD2 LEU 15 -3.391 0.402 -1.639 85 HD23 LEU 15 2HD2 LEU 15 -3.265 1.988 -2.401 86 H HIS 16 H HIS 16 -6.707 4.055 1.915 87 HA HIS 16 HA HIS 16 -5.943 6.340 0.330 88 HB2 HIS 16 1HB HIS 16 -7.728 7.806 1.301 89 HB3 HIS 16 2HB HIS 16 -8.325 6.608 0.156 90 HD1 HIS 16 1HD HIS 16 -10.319 5.372 0.925 91 HD2 HIS 16 2HD HIS 16 -8.073 6.807 4.112 92 HE1 HIS 16 1HE HIS 16 -11.615 4.758 2.991 93 HE2 HIS 16 2HE HIS 16 -10.279 5.712 4.901 94 H VAL 17 H VAL 17 -5.981 8.352 2.034 95 HA VAL 17 HA VAL 17 -4.386 7.371 4.299 96 HB VAL 17 HB VAL 17 -3.146 8.875 2.898 97 HG11 VAL 17 1HG1 VAL 17 -5.668 10.221 2.671 98 HG12 VAL 17 2HG1 VAL 17 -4.418 11.361 3.173 99 HG13 VAL 17 3HG1 VAL 17 -4.209 10.413 1.700 100 HG21 VAL 17 3HG2 VAL 17 -3.145 9.080 5.487 101 HG22 VAL 17 1HG2 VAL 17 -2.331 10.310 4.520 102 HG23 VAL 17 2HG2 VAL 17 -3.931 10.631 5.189 103 H THR 18 H THR 18 -4.824 7.967 6.384 104 HA THR 18 HA THR 18 -7.425 9.269 6.821 105 HB THR 18 HB THR 18 -7.183 6.949 7.688 106 HG1 THR 18 1HG THR 18 -7.407 8.847 9.798 107 HG21 THR 18 3HG2 THR 18 -4.905 8.221 9.132 108 HG22 THR 18 1HG2 THR 18 -5.022 6.620 8.403 109 HG23 THR 18 2HG2 THR 18 -5.817 6.948 9.942 110 H GLY 19 H GLY 19 -4.176 9.915 6.938 111 HA2 GLY 19 1HA GLY 19 -4.409 12.435 8.066 112 HA3 GLY 19 2HA GLY 19 -3.966 11.355 9.380 113 H LEU 20 H LEU 20 -2.973 12.444 6.160 114 HA LEU 20 HA LEU 20 -0.392 11.302 6.232 115 HB2 LEU 20 1HB LEU 20 0.075 13.158 4.502 116 HB3 LEU 20 2HB LEU 20 -1.082 11.887 4.111 117 HG LEU 20 HG LEU 20 -2.926 13.353 4.415 118 HD11 LEU 20 1HD1 LEU 20 -2.260 15.843 4.979 119 HD12 LEU 20 2HD1 LEU 20 -0.927 15.047 5.815 120 HD13 LEU 20 3HD1 LEU 20 -2.593 14.665 6.249 121 HD21 LEU 20 3HD2 LEU 20 -2.428 13.951 2.321 122 HD22 LEU 20 1HD2 LEU 20 -0.709 14.116 2.681 123 HD23 LEU 20 2HD2 LEU 20 -1.814 15.446 3.029 124 H THR 21 H THR 21 1.605 12.810 6.019 125 HA THR 21 HA THR 21 1.515 15.054 7.882 126 HB THR 21 HB THR 21 3.712 13.070 8.298 127 HG1 THR 21 1HG THR 21 1.870 11.794 8.538 128 HG21 THR 21 3HG2 THR 21 3.373 13.967 10.671 129 HG22 THR 21 1HG2 THR 21 2.321 15.175 9.936 130 HG23 THR 21 2HG2 THR 21 4.021 15.085 9.472 131 H THR 22 H THR 22 3.290 16.483 7.704 132 HA THR 22 HA THR 22 4.212 17.069 5.207 133 HB THR 22 HB THR 22 5.962 18.425 6.223 134 HG1 THR 22 1HG THR 22 6.136 18.247 8.604 135 HG21 THR 22 3HG2 THR 22 4.016 19.613 6.436 136 HG22 THR 22 1HG2 THR 22 4.439 19.442 8.139 137 HG23 THR 22 2HG2 THR 22 3.236 18.373 7.417 138 H SER 23 H SER 23 5.759 14.965 7.593 139 HA SER 23 HA SER 23 7.785 14.239 5.590 140 HB2 SER 23 1HB SER 23 7.741 13.983 8.599 141 HB3 SER 23 2HB SER 23 8.950 13.183 7.594 142 HG SER 23 HG SER 23 9.602 15.217 6.849 143 H THR 24 H THR 24 5.559 12.821 7.965 144 HA THR 24 HA THR 24 5.857 10.211 6.666 145 HB THR 24 HB THR 24 4.874 9.221 8.585 146 HG1 THR 24 1HG THR 24 4.379 11.616 9.925 147 HG21 THR 24 3HG2 THR 24 6.712 11.478 9.373 148 HG22 THR 24 1HG2 THR 24 7.148 9.808 9.016 149 HG23 THR 24 2HG2 THR 24 6.230 10.187 10.473 150 H THR 25 H THR 25 3.781 8.901 6.532 151 HA THR 25 HA THR 25 1.409 10.501 5.964 152 HB THR 25 HB THR 25 2.926 8.939 3.902 153 HG1 THR 25 1HG THR 25 2.795 10.815 2.829 154 HG21 THR 25 3HG2 THR 25 0.757 7.898 3.860 155 HG22 THR 25 1HG2 THR 25 0.875 8.994 2.484 156 HG23 THR 25 2HG2 THR 25 -0.046 9.467 3.912 157 H GLU 26 H GLU 26 -0.270 9.532 6.876 158 HA GLU 26 HA GLU 26 -0.094 6.779 7.728 159 HB2 GLU 26 1HB GLU 26 -2.123 8.967 8.096 160 HB3 GLU 26 2HB GLU 26 -2.486 7.309 8.553 161 HG2 GLU 26 1HG GLU 26 -0.300 7.435 9.907 162 HG3 GLU 26 2HG GLU 26 -0.463 9.179 9.711 163 H LEU 27 H LEU 27 -1.935 5.275 7.348 164 HA LEU 27 HA LEU 27 -3.344 5.671 4.825 165 HB2 LEU 27 1HB LEU 27 -1.666 3.222 5.334 166 HB3 LEU 27 2HB LEU 27 -2.615 3.576 3.892 167 HG LEU 27 HG LEU 27 -0.217 5.177 4.775 168 HD11 LEU 27 1HD1 LEU 27 0.898 4.029 2.843 169 HD12 LEU 27 2HD1 LEU 27 -0.454 2.897 2.824 170 HD13 LEU 27 3HD1 LEU 27 0.586 3.005 4.245 171 HD21 LEU 27 3HD2 LEU 27 -0.435 6.388 2.841 172 HD22 LEU 27 1HD2 LEU 27 -2.131 6.090 3.225 173 HD23 LEU 27 2HD2 LEU 27 -1.317 5.108 2.007 174 H ALA 28 H ALA 28 -4.979 3.963 4.441 175 HA ALA 28 HA ALA 28 -5.715 2.191 6.553 176 HB1 ALA 28 3HB ALA 28 -7.138 4.816 6.304 177 HB2 ALA 28 1HB ALA 28 -7.967 3.385 6.918 178 HB3 ALA 28 2HB ALA 28 -6.542 4.005 7.752 179 H TRP 29 H TRP 29 -6.258 0.524 5.302 180 HA TRP 29 HA TRP 29 -8.278 0.970 3.210 181 HB2 TRP 29 1HB TRP 29 -7.158 -0.664 1.772 182 HB3 TRP 29 2HB TRP 29 -6.081 0.680 2.144 183 HD1 TRP 29 HD TRP 29 -6.430 -3.062 2.545 184 HE1 TRP 29 1HE TRP 29 -4.286 -4.007 3.610 185 HE3 TRP 29 3HE TRP 29 -4.165 1.332 3.846 186 HZ2 TRP 29 2HZ TRP 29 -1.945 -3.020 4.840 187 HZ3 TRP 29 3HZ TRP 29 -1.975 1.245 4.964 188 HH2 TRP 29 HH TRP 29 -0.889 -0.888 5.450 189 H ASP 30 H ASP 30 -9.072 -1.346 2.449 190 HA ASP 30 HA ASP 30 -9.582 -2.934 4.879 191 HB2 ASP 30 1HB ASP 30 -11.448 -1.857 2.831 192 HB3 ASP 30 2HB ASP 30 -11.781 -3.474 3.445 193 HA PRO 31 HA PRO 31 -8.317 -6.556 2.756 194 HB2 PRO 31 1HB PRO 31 -10.121 -8.405 3.589 195 HB3 PRO 31 2HB PRO 31 -8.863 -7.748 4.642 196 HG2 PRO 31 1HG PRO 31 -11.752 -6.990 4.444 197 HG3 PRO 31 2HG PRO 31 -10.752 -7.219 5.891 198 HD2 PRO 31 1HD PRO 31 -11.326 -4.770 4.889 199 HD3 PRO 31 2HD PRO 31 -9.796 -5.129 5.714 200 HA PRO 32 HA PRO 32 -10.528 -7.191 -0.993 201 HB2 PRO 32 1HB PRO 32 -9.907 -9.768 -1.578 202 HB3 PRO 32 2HB PRO 32 -8.742 -8.446 -1.711 203 HG2 PRO 32 1HG PRO 32 -9.095 -10.445 0.489 204 HG3 PRO 32 2HG PRO 32 -7.598 -9.849 -0.251 205 HD2 PRO 32 1HD PRO 32 -8.515 -8.929 2.125 206 HD3 PRO 32 2HD PRO 32 -7.609 -7.907 0.992 207 H VAL 33 H VAL 33 -12.356 -8.180 -1.935 208 HA VAL 33 HA VAL 33 -14.371 -8.972 -0.120 209 HB VAL 33 HB VAL 33 -15.564 -9.669 -2.331 210 HG11 VAL 33 1HG1 VAL 33 -15.117 -6.840 -2.636 211 HG12 VAL 33 2HG1 VAL 33 -16.553 -7.695 -2.068 212 HG13 VAL 33 3HG1 VAL 33 -15.271 -7.268 -0.933 213 HG21 VAL 33 3HG2 VAL 33 -13.723 -7.827 -3.712 214 HG22 VAL 33 1HG2 VAL 33 -13.095 -9.444 -3.391 215 HG23 VAL 33 2HG2 VAL 33 -14.581 -9.243 -4.319 216 H LEU 34 H LEU 34 -15.158 -10.934 0.450 217 HA LEU 34 HA LEU 34 -13.552 -13.193 0.379 218 HB2 LEU 34 1HB LEU 34 -15.396 -14.399 1.269 219 HB3 LEU 34 2HB LEU 34 -15.445 -12.769 1.938 220 HG LEU 34 HG LEU 34 -17.132 -12.387 -0.067 221 HD11 LEU 34 1HD1 LEU 34 -18.399 -14.852 0.316 222 HD12 LEU 34 2HD1 LEU 34 -16.721 -15.229 -0.072 223 HD13 LEU 34 3HD1 LEU 34 -17.675 -14.233 -1.169 224 HD21 LEU 34 3HD2 LEU 34 -18.247 -13.906 2.238 225 HD22 LEU 34 1HD2 LEU 34 -18.801 -12.404 1.499 226 HD23 LEU 34 2HD2 LEU 34 -17.385 -12.399 2.550 227 H ALA 35 H ALA 35 -15.553 -11.901 -2.062 228 HA ALA 35 HA ALA 35 -16.137 -14.309 -3.468 229 HB1 ALA 35 3HB ALA 35 -17.576 -12.729 -4.197 230 HB2 ALA 35 1HB ALA 35 -16.422 -11.415 -3.969 231 HB3 ALA 35 2HB ALA 35 -16.314 -12.447 -5.396 232 H GLU 36 H GLU 36 -13.702 -11.751 -3.936 233 HA GLU 36 HA GLU 36 -12.412 -13.169 -6.073 234 HB2 GLU 36 1HB GLU 36 -11.096 -11.305 -6.333 235 HB3 GLU 36 2HB GLU 36 -12.492 -10.590 -5.538 236 HG2 GLU 36 1HG GLU 36 -11.200 -10.997 -3.358 237 HG3 GLU 36 2HG GLU 36 -9.795 -11.210 -4.401 238 H ARG 37 H ARG 37 -11.932 -12.790 -2.621 239 HA ARG 37 HA ARG 37 -9.372 -13.618 -2.217 240 HB2 ARG 37 1HB ARG 37 -11.890 -14.219 -0.690 241 HB3 ARG 37 2HB ARG 37 -10.335 -14.835 -0.147 242 HG2 ARG 37 1HG ARG 37 -9.476 -12.548 -0.018 243 HG3 ARG 37 2HG ARG 37 -11.044 -11.937 -0.549 244 HD2 ARG 37 1HD ARG 37 -11.293 -11.730 1.711 245 HD3 ARG 37 2HD ARG 37 -11.902 -13.370 1.494 246 HE ARG 37 HE ARG 37 -9.122 -13.427 1.981 247 HH11 ARG 37 1HH1 ARG 37 -12.157 -12.852 3.586 248 HH12 ARG 37 2HH1 ARG 37 -11.579 -13.352 5.141 249 HH21 ARG 37 1HH2 ARG 37 -8.349 -14.088 4.022 250 HH22 ARG 37 2HH2 ARG 37 -9.412 -14.054 5.388 251 H ASN 38 H ASN 38 -8.297 -15.224 -3.154 252 HA ASN 38 HA ASN 38 -9.632 -17.615 -4.057 253 HB2 ASN 38 1HB ASN 38 -6.865 -16.502 -4.278 254 HB3 ASN 38 2HB ASN 38 -7.114 -18.221 -4.570 255 HD21 ASN 38 1HD2 ASN 38 -8.878 -15.243 -5.367 256 HD22 ASN 38 2HD2 ASN 38 -9.031 -15.586 -7.054 257 H GLY 39 H GLY 39 -7.925 -16.605 -1.254 258 HA2 GLY 39 1HA GLY 39 -8.315 -19.223 -0.059 259 HA3 GLY 39 2HA GLY 39 -6.640 -18.710 -0.202 260 H ARG 40 H ARG 40 -5.805 -17.541 1.403 261 HA ARG 40 HA ARG 40 -7.604 -16.000 3.129 262 HB2 ARG 40 1HB ARG 40 -5.542 -17.983 4.108 263 HB3 ARG 40 2HB ARG 40 -6.408 -16.848 5.134 264 HG2 ARG 40 1HG ARG 40 -8.511 -17.914 4.603 265 HG3 ARG 40 2HG ARG 40 -7.699 -19.004 3.477 266 HD2 ARG 40 1HD ARG 40 -6.548 -20.104 5.224 267 HD3 ARG 40 2HD ARG 40 -6.970 -18.851 6.389 268 HE ARG 40 HE ARG 40 -9.378 -19.809 5.642 269 HH11 ARG 40 1HH1 ARG 40 -6.456 -21.342 6.752 270 HH12 ARG 40 2HH1 ARG 40 -7.281 -22.669 7.499 271 HH21 ARG 40 1HH2 ARG 40 -10.476 -21.552 6.621 272 HH22 ARG 40 2HH2 ARG 40 -9.568 -22.788 7.423 273 H ILE 41 H ILE 41 -6.529 -14.356 4.385 274 HA ILE 41 HA ILE 41 -4.133 -13.362 3.024 275 HB ILE 41 HB ILE 41 -5.852 -11.847 4.981 276 HG12 ILE 41 1HG1 ILE 41 -7.360 -12.440 3.249 277 HG13 ILE 41 2HG1 ILE 41 -6.827 -10.807 2.869 278 HG21 ILE 41 1HG2 ILE 41 -3.525 -11.236 3.299 279 HG22 ILE 41 2HG2 ILE 41 -4.820 -10.042 3.242 280 HG23 ILE 41 3HG2 ILE 41 -4.085 -10.472 4.786 281 HD11 ILE 41 3HD1 ILE 41 -5.645 -13.283 1.643 282 HD12 ILE 41 1HD1 ILE 41 -6.950 -12.343 0.920 283 HD13 ILE 41 2HD1 ILE 41 -5.365 -11.608 1.167 284 H ILE 42 H ILE 42 -2.341 -12.560 4.198 285 HA ILE 42 HA ILE 42 -2.171 -13.437 7.000 286 HB ILE 42 HB ILE 42 0.357 -13.851 6.316 287 HG12 ILE 42 1HG1 ILE 42 -1.129 -14.612 3.795 288 HG13 ILE 42 2HG1 ILE 42 -0.104 -13.188 3.939 289 HG21 ILE 42 1HG2 ILE 42 -1.339 -15.431 7.319 290 HG22 ILE 42 2HG2 ILE 42 -1.713 -15.935 5.671 291 HG23 ILE 42 3HG2 ILE 42 -0.090 -16.174 6.319 292 HD11 ILE 42 3HD1 ILE 42 1.745 -14.811 4.611 293 HD12 ILE 42 1HD1 ILE 42 0.683 -16.075 3.991 294 HD13 ILE 42 2HD1 ILE 42 1.243 -14.789 2.921 295 H SER 43 H SER 43 -1.077 -11.281 4.463 296 HA SER 43 HA SER 43 -0.672 -9.143 6.296 297 HB2 SER 43 1HB SER 43 1.638 -8.932 6.364 298 HB3 SER 43 2HB SER 43 1.454 -10.685 6.425 299 HG SER 43 HG SER 43 1.553 -10.321 3.945 300 H TYR 44 H TYR 44 0.593 -7.290 5.039 301 HA TYR 44 HA TYR 44 -0.149 -7.341 2.203 302 HB2 TYR 44 1HB TYR 44 -0.944 -5.187 4.171 303 HB3 TYR 44 2HB TYR 44 -1.108 -5.050 2.424 304 HD1 TYR 44 2HD TYR 44 -2.129 -7.250 5.262 305 HD2 TYR 44 1HD TYR 44 -3.099 -5.691 1.423 306 HE1 TYR 44 2HE TYR 44 -4.339 -8.321 5.392 307 HE2 TYR 44 1HE TYR 44 -5.313 -6.757 1.543 308 HH TYR 44 HH TYR 44 -6.574 -8.261 2.665 309 H THR 45 H THR 45 0.869 -5.631 0.943 310 HA THR 45 HA THR 45 3.354 -4.640 2.182 311 HB THR 45 HB THR 45 3.026 -5.579 -0.674 312 HG1 THR 45 1HG THR 45 3.216 -7.118 1.293 313 HG21 THR 45 3HG2 THR 45 5.031 -4.694 -1.137 314 HG22 THR 45 1HG2 THR 45 5.723 -5.260 0.383 315 HG23 THR 45 2HG2 THR 45 4.823 -3.744 0.334 316 H VAL 46 H VAL 46 3.164 -2.508 2.399 317 HA VAL 46 HA VAL 46 1.598 -0.959 0.496 318 HB VAL 46 HB VAL 46 3.009 -0.125 3.034 319 HG11 VAL 46 1HG1 VAL 46 2.602 2.014 2.561 320 HG12 VAL 46 2HG1 VAL 46 2.292 1.494 0.904 321 HG13 VAL 46 3HG1 VAL 46 0.954 1.662 2.041 322 HG21 VAL 46 3HG2 VAL 46 1.210 -1.384 3.749 323 HG22 VAL 46 1HG2 VAL 46 0.506 0.231 3.671 324 HG23 VAL 46 2HG2 VAL 46 0.206 -0.925 2.374 325 H VAL 47 H VAL 47 2.788 -0.841 -1.373 326 HA VAL 47 HA VAL 47 5.571 -0.021 -1.286 327 HB VAL 47 HB VAL 47 3.747 -0.613 -3.620 328 HG11 VAL 47 1HG1 VAL 47 5.231 0.365 -4.948 329 HG12 VAL 47 2HG1 VAL 47 6.214 0.811 -3.551 330 HG13 VAL 47 3HG1 VAL 47 6.474 -0.737 -4.356 331 HG21 VAL 47 3HG2 VAL 47 4.618 -2.727 -3.678 332 HG22 VAL 47 1HG2 VAL 47 6.132 -2.243 -2.913 333 HG23 VAL 47 2HG2 VAL 47 4.673 -2.429 -1.941 334 H PHE 48 H PHE 48 5.978 2.063 -0.937 335 HA PHE 48 HA PHE 48 4.276 4.065 -2.269 336 HB2 PHE 48 1HB PHE 48 5.044 5.642 -0.509 337 HB3 PHE 48 2HB PHE 48 4.158 4.267 0.144 338 HD1 PHE 48 2HD PHE 48 5.603 2.267 0.957 339 HD2 PHE 48 1HD PHE 48 7.084 6.218 0.395 340 HE1 PHE 48 2HE PHE 48 7.482 1.775 2.468 341 HE2 PHE 48 1HE PHE 48 8.965 5.732 1.904 342 HZ PHE 48 HZ PHE 48 9.166 3.508 2.943 343 H ARG 49 H ARG 49 5.190 5.580 -3.564 344 HA ARG 49 HA ARG 49 8.051 5.992 -3.600 345 HB2 ARG 49 1HB ARG 49 8.003 4.073 -5.013 346 HB3 ARG 49 2HB ARG 49 6.602 4.672 -5.891 347 HG2 ARG 49 1HG ARG 49 8.119 6.614 -6.597 348 HG3 ARG 49 2HG ARG 49 9.447 5.589 -6.048 349 HD2 ARG 49 1HD ARG 49 9.091 5.308 -8.433 350 HD3 ARG 49 2HD ARG 49 8.698 3.820 -7.572 351 HE ARG 49 HE ARG 49 6.401 5.461 -7.963 352 HH11 ARG 49 1HH1 ARG 49 8.519 3.191 -9.538 353 HH12 ARG 49 2HH1 ARG 49 7.322 2.662 -10.673 354 HH21 ARG 49 1HH2 ARG 49 4.816 4.772 -9.453 355 HH22 ARG 49 2HH2 ARG 49 5.217 3.563 -10.624 356 H ASP 50 H ASP 50 8.605 7.966 -4.396 357 HA ASP 50 HA ASP 50 6.502 9.862 -4.801 358 HB2 ASP 50 1HB ASP 50 8.395 10.695 -3.663 359 HB3 ASP 50 2HB ASP 50 9.507 10.036 -4.860 360 H ILE 51 H ILE 51 5.432 10.058 -6.646 361 HA ILE 51 HA ILE 51 6.215 8.981 -9.105 362 HB ILE 51 HB ILE 51 4.422 10.344 -10.103 363 HG12 ILE 51 1HG1 ILE 51 3.956 11.482 -7.349 364 HG13 ILE 51 2HG1 ILE 51 4.899 12.332 -8.569 365 HG21 ILE 51 1HG2 ILE 51 3.632 9.107 -7.470 366 HG22 ILE 51 2HG2 ILE 51 2.580 9.372 -8.860 367 HG23 ILE 51 3HG2 ILE 51 3.914 8.223 -8.969 368 HD11 ILE 51 3HD1 ILE 51 2.047 11.452 -8.935 369 HD12 ILE 51 1HD1 ILE 51 2.545 13.066 -8.427 370 HD13 ILE 51 2HD1 ILE 51 3.000 12.463 -10.021 371 H ASN 52 H ASN 52 7.395 11.693 -7.522 372 HA ASN 52 HA ASN 52 8.155 13.070 -9.990 373 HB2 ASN 52 1HB ASN 52 8.409 13.864 -7.083 374 HB3 ASN 52 2HB ASN 52 9.013 14.833 -8.423 375 HD21 ASN 52 1HD2 ASN 52 6.087 13.336 -7.137 376 HD22 ASN 52 2HD2 ASN 52 4.996 14.531 -7.743 377 H SER 53 H SER 53 9.367 10.803 -7.807 378 HA SER 53 HA SER 53 12.114 11.301 -8.752 379 HB2 SER 53 1HB SER 53 11.091 10.686 -6.021 380 HB3 SER 53 2HB SER 53 12.629 9.966 -6.498 381 HG SER 53 HG SER 53 12.119 12.483 -5.739 382 H GLN 54 H GLN 54 13.468 9.182 -8.336 383 HA GLN 54 HA GLN 54 11.924 6.977 -9.524 384 HB2 GLN 54 1HB GLN 54 14.088 6.184 -10.427 385 HB3 GLN 54 2HB GLN 54 13.660 7.790 -11.002 386 HG2 GLN 54 1HG GLN 54 15.134 8.649 -9.087 387 HG3 GLN 54 2HG GLN 54 15.761 7.002 -9.024 388 HE21 GLN 54 1HE2 GLN 54 16.923 6.195 -10.791 389 HE22 GLN 54 2HE2 GLN 54 17.631 7.246 -11.966 390 H GLN 55 H GLN 55 12.555 7.766 -6.611 391 HA GLN 55 HA GLN 55 13.998 5.394 -5.721 392 HB2 GLN 55 1HB GLN 55 14.577 7.501 -4.657 393 HB3 GLN 55 2HB GLN 55 12.901 7.759 -4.192 394 HG2 GLN 55 1HG GLN 55 14.185 7.008 -2.296 395 HG3 GLN 55 2HG GLN 55 13.003 5.781 -2.752 396 HE21 GLN 55 1HE2 GLN 55 13.690 3.812 -3.457 397 HE22 GLN 55 2HE2 GLN 55 15.345 3.317 -3.449 398 H GLU 56 H GLU 56 12.768 3.609 -5.759 399 HA GLU 56 HA GLU 56 9.974 3.746 -4.934 400 HB2 GLU 56 1HB GLU 56 10.668 2.476 -6.978 401 HB3 GLU 56 2HB GLU 56 11.534 1.359 -5.933 402 HG2 GLU 56 1HG GLU 56 9.320 0.964 -4.763 403 HG3 GLU 56 2HG GLU 56 8.576 1.819 -6.114 404 H LEU 57 H LEU 57 9.119 2.654 -3.187 405 HA LEU 57 HA LEU 57 10.840 1.066 -1.479 406 HB2 LEU 57 1HB LEU 57 9.501 3.520 -0.364 407 HB3 LEU 57 2HB LEU 57 10.570 2.404 0.483 408 HG LEU 57 HG LEU 57 11.510 4.087 -1.825 409 HD11 LEU 57 1HD1 LEU 57 11.959 4.838 1.034 410 HD12 LEU 57 2HD1 LEU 57 10.511 5.376 0.184 411 HD13 LEU 57 3HD1 LEU 57 12.106 5.825 -0.420 412 HD21 LEU 57 3HD2 LEU 57 12.717 1.986 -0.781 413 HD22 LEU 57 1HD2 LEU 57 13.203 3.164 0.439 414 HD23 LEU 57 2HD2 LEU 57 13.621 3.425 -1.255 415 H GLN 58 H GLN 58 9.595 0.235 0.449 416 HA GLN 58 HA GLN 58 6.729 0.301 0.320 417 HB2 GLN 58 1HB GLN 58 6.359 -2.027 -0.209 418 HB3 GLN 58 2HB GLN 58 7.274 -1.280 -1.511 419 HG2 GLN 58 1HG GLN 58 9.332 -2.199 -0.184 420 HG3 GLN 58 2HG GLN 58 8.135 -3.300 0.497 421 HE21 GLN 58 1HE2 GLN 58 9.682 -2.223 -2.451 422 HE22 GLN 58 2HE2 GLN 58 9.319 -3.631 -3.384 423 H ASN 59 H ASN 59 5.795 -1.371 1.911 424 HA ASN 59 HA ASN 59 7.632 -2.047 4.071 425 HB2 ASN 59 1HB ASN 59 5.359 -0.090 4.312 426 HB3 ASN 59 2HB ASN 59 5.916 -1.012 5.705 427 HD21 ASN 59 1HD2 ASN 59 8.579 -1.059 5.440 428 HD22 ASN 59 2HD2 ASN 59 9.231 0.540 5.483 429 H ILE 60 H ILE 60 6.347 -3.189 5.885 430 HA ILE 60 HA ILE 60 4.129 -4.749 4.754 431 HB ILE 60 HB ILE 60 6.383 -5.982 6.336 432 HG12 ILE 60 1HG1 ILE 60 5.846 -6.063 3.359 433 HG13 ILE 60 2HG1 ILE 60 7.206 -5.271 4.147 434 HG21 ILE 60 1HG2 ILE 60 3.813 -6.856 5.993 435 HG22 ILE 60 2HG2 ILE 60 4.671 -7.684 4.694 436 HG23 ILE 60 3HG2 ILE 60 5.199 -7.881 6.365 437 HD11 ILE 60 3HD1 ILE 60 7.571 -7.563 3.063 438 HD12 ILE 60 1HD1 ILE 60 8.228 -7.283 4.675 439 HD13 ILE 60 2HD1 ILE 60 6.737 -8.204 4.478 440 H THR 61 H THR 61 2.483 -5.138 6.124 441 HA THR 61 HA THR 61 2.854 -4.967 8.995 442 HB THR 61 HB THR 61 2.496 -2.624 8.463 443 HG1 THR 61 1HG THR 61 -0.032 -3.345 9.415 444 HG21 THR 61 3HG2 THR 61 0.684 -3.684 6.527 445 HG22 THR 61 1HG2 THR 61 1.233 -2.021 6.730 446 HG23 THR 61 2HG2 THR 61 -0.197 -2.588 7.592 447 H THR 62 H THR 62 1.727 -6.575 9.849 448 HA THR 62 HA THR 62 -0.037 -8.210 8.447 449 HB THR 62 HB THR 62 -0.718 -9.105 10.672 450 HG1 THR 62 1HG THR 62 0.519 -6.750 11.480 451 HG21 THR 62 3HG2 THR 62 1.805 -9.505 11.402 452 HG22 THR 62 1HG2 THR 62 2.113 -8.799 9.816 453 HG23 THR 62 2HG2 THR 62 1.125 -10.254 9.958 454 H ASP 63 H ASP 63 -0.568 -5.127 9.733 455 HA ASP 63 HA ASP 63 -3.443 -5.506 10.052 456 HB2 ASP 63 1HB ASP 63 -1.496 -3.365 10.765 457 HB3 ASP 63 2HB ASP 63 -3.170 -2.894 10.490 458 H THR 64 H THR 64 -4.936 -3.987 8.994 459 HA THR 64 HA THR 64 -4.321 -3.797 6.176 460 HB THR 64 HB THR 64 -6.753 -2.691 6.291 461 HG1 THR 64 1HG THR 64 -7.866 -3.873 8.039 462 HG21 THR 64 3HG2 THR 64 -6.277 -4.702 5.060 463 HG22 THR 64 1HG2 THR 64 -7.685 -4.997 6.080 464 HG23 THR 64 2HG2 THR 64 -6.107 -5.629 6.551 465 H ARG 65 H ARG 65 -3.106 -1.984 8.316 466 HA ARG 65 HA ARG 65 -3.494 0.494 6.811 467 HB2 ARG 65 1HB ARG 65 -3.793 1.840 8.760 468 HB3 ARG 65 2HB ARG 65 -4.964 0.532 8.848 469 HG2 ARG 65 1HG ARG 65 -4.206 0.466 10.979 470 HG3 ARG 65 2HG ARG 65 -3.015 -0.608 10.241 471 HD2 ARG 65 1HD ARG 65 -1.587 0.782 11.330 472 HD3 ARG 65 2HD ARG 65 -1.767 1.707 9.841 473 HE ARG 65 HE ARG 65 -2.809 3.345 11.040 474 HH11 ARG 65 1HH1 ARG 65 -2.869 0.393 12.885 475 HH12 ARG 65 2HH1 ARG 65 -3.533 1.138 14.301 476 HH21 ARG 65 1HH2 ARG 65 -3.684 4.337 12.898 477 HH22 ARG 65 2HH2 ARG 65 -3.998 3.382 14.307 478 H PHE 66 H PHE 66 -1.767 2.056 7.142 479 HA PHE 66 HA PHE 66 0.613 1.238 8.537 480 HB2 PHE 66 1HB PHE 66 0.678 -0.053 6.367 481 HB3 PHE 66 2HB PHE 66 0.782 1.494 5.532 482 HD1 PHE 66 1HD PHE 66 2.497 -0.685 7.982 483 HD2 PHE 66 2HD PHE 66 2.829 2.614 5.312 484 HE1 PHE 66 1HE PHE 66 4.940 -0.699 8.274 485 HE2 PHE 66 2HE PHE 66 5.272 2.605 5.599 486 HZ PHE 66 HZ PHE 66 6.331 0.947 7.081 487 H THR 67 H THR 67 2.425 2.845 8.129 488 HA THR 67 HA THR 67 1.450 5.480 7.308 489 HB THR 67 HB THR 67 2.741 4.950 9.992 490 HG1 THR 67 1HG THR 67 0.113 5.375 9.136 491 HG21 THR 67 3HG2 THR 67 1.689 7.572 9.780 492 HG22 THR 67 1HG2 THR 67 2.704 7.295 8.365 493 HG23 THR 67 2HG2 THR 67 3.372 7.086 9.984 494 H LEU 68 H LEU 68 2.833 5.922 5.704 495 HA LEU 68 HA LEU 68 5.463 4.969 5.492 496 HB2 LEU 68 1HB LEU 68 4.083 7.313 4.205 497 HB3 LEU 68 2HB LEU 68 5.713 6.796 3.779 498 HG LEU 68 HG LEU 68 4.600 5.706 2.143 499 HD11 LEU 68 1HD1 LEU 68 4.153 3.841 4.469 500 HD12 LEU 68 2HD1 LEU 68 5.592 3.934 3.454 501 HD13 LEU 68 3HD1 LEU 68 4.063 3.386 2.767 502 HD21 LEU 68 3HD2 LEU 68 2.184 5.187 3.848 503 HD22 LEU 68 1HD2 LEU 68 2.312 5.215 2.089 504 HD23 LEU 68 2HD2 LEU 68 2.419 6.719 3.004 505 H THR 69 H THR 69 7.346 6.612 5.166 506 HA THR 69 HA THR 69 7.369 8.864 6.953 507 HB THR 69 HB THR 69 9.057 8.081 8.489 508 HG1 THR 69 1HG THR 69 9.428 5.638 8.322 509 HG21 THR 69 3HG2 THR 69 7.798 6.409 9.735 510 HG22 THR 69 1HG2 THR 69 6.833 6.044 8.305 511 HG23 THR 69 2HG2 THR 69 6.708 7.627 9.073 512 H GLY 70 H GLY 70 9.582 9.876 7.043 513 HA2 GLY 70 1HA GLY 70 11.417 10.732 5.962 514 HA3 GLY 70 2HA GLY 70 11.644 9.126 5.284 515 H LEU 71 H LEU 71 8.890 11.300 4.834 516 HA LEU 71 HA LEU 71 9.472 11.282 1.949 517 HB2 LEU 71 1HB LEU 71 6.808 12.019 3.076 518 HB3 LEU 71 2HB LEU 71 7.206 11.338 1.500 519 HG LEU 71 HG LEU 71 7.471 9.746 4.036 520 HD11 LEU 71 1HD1 LEU 71 5.084 10.782 3.192 521 HD12 LEU 71 2HD1 LEU 71 5.283 9.309 4.141 522 HD13 LEU 71 3HD1 LEU 71 5.122 9.213 2.388 523 HD21 LEU 71 3HD2 LEU 71 6.897 7.978 2.144 524 HD22 LEU 71 1HD2 LEU 71 8.546 8.530 2.441 525 HD23 LEU 71 2HD2 LEU 71 7.609 9.224 1.118 526 H LYS 72 H LYS 72 8.758 13.236 0.749 527 HA LYS 72 HA LYS 72 9.616 15.621 2.192 528 HB2 LYS 72 1HB LYS 72 10.427 14.818 -0.167 529 HB3 LYS 72 2HB LYS 72 8.948 15.585 -0.728 530 HG2 LYS 72 1HG LYS 72 9.648 17.709 0.095 531 HG3 LYS 72 2HG LYS 72 11.031 16.991 0.925 532 HD2 LYS 72 1HD LYS 72 12.074 17.762 -0.956 533 HD3 LYS 72 2HD LYS 72 11.605 16.156 -1.520 534 HE2 LYS 72 1HE LYS 72 9.731 17.025 -2.693 535 HE3 LYS 72 2HE LYS 72 9.901 18.604 -1.927 536 HZ1 LYS 72 3HZ LYS 72 10.737 18.647 -4.183 537 HZ2 LYS 72 1HZ LYS 72 11.815 17.387 -3.846 538 HZ3 LYS 72 2HZ LYS 72 12.008 18.889 -3.093 539 HA PRO 73 HA PRO 73 5.523 17.188 2.658 540 HB2 PRO 73 1HB PRO 73 6.134 19.810 3.010 541 HB3 PRO 73 2HB PRO 73 6.407 18.584 4.254 542 HG2 PRO 73 1HG PRO 73 8.350 19.783 2.319 543 HG3 PRO 73 2HG PRO 73 8.561 19.434 4.044 544 HD2 PRO 73 1HD PRO 73 9.534 17.818 2.103 545 HD3 PRO 73 2HD PRO 73 8.979 17.199 3.671 546 H ASP 74 H ASP 74 3.940 18.041 1.395 547 HA ASP 74 HA ASP 74 2.894 18.866 -0.449 548 HB2 ASP 74 1HB ASP 74 3.907 20.985 0.253 549 HB3 ASP 74 2HB ASP 74 5.373 20.590 -0.639 550 H THR 75 H THR 75 4.194 16.481 -0.827 551 HA THR 75 HA THR 75 4.903 16.672 -3.662 552 HB THR 75 HB THR 75 6.574 15.344 -1.538 553 HG1 THR 75 1HG THR 75 7.599 17.156 -1.971 554 HG21 THR 75 3HG2 THR 75 6.153 13.687 -3.302 555 HG22 THR 75 1HG2 THR 75 7.831 14.227 -3.309 556 HG23 THR 75 2HG2 THR 75 6.701 14.843 -4.514 557 H THR 76 H THR 76 3.962 15.145 -4.877 558 HA THR 76 HA THR 76 2.046 13.391 -3.737 559 HB THR 76 HB THR 76 3.160 13.376 -6.549 560 HG1 THR 76 1HG THR 76 1.530 14.798 -7.019 561 HG21 THR 76 3HG2 THR 76 0.473 12.572 -6.501 562 HG22 THR 76 1HG2 THR 76 1.261 11.687 -5.196 563 HG23 THR 76 2HG2 THR 76 1.884 11.571 -6.842 564 H TYR 77 H TYR 77 2.150 11.281 -3.214 565 HA TYR 77 HA TYR 77 4.610 9.808 -3.878 566 HB2 TYR 77 1HB TYR 77 3.318 10.226 -1.218 567 HB3 TYR 77 2HB TYR 77 4.098 8.681 -1.537 568 HD1 TYR 77 1HD TYR 77 6.521 8.564 -1.902 569 HD2 TYR 77 2HD TYR 77 4.609 12.242 -0.945 570 HE1 TYR 77 1HE TYR 77 8.705 9.546 -1.341 571 HE2 TYR 77 2HE TYR 77 6.787 13.235 -0.383 572 HH TYR 77 HH TYR 77 9.761 11.310 -0.468 573 H ASP 78 H ASP 78 4.002 8.260 -5.239 574 HA ASP 78 HA ASP 78 1.385 7.192 -5.386 575 HB2 ASP 78 1HB ASP 78 2.724 7.163 -7.364 576 HB3 ASP 78 2HB ASP 78 4.016 6.283 -6.553 577 H ILE 79 H ILE 79 0.686 6.276 -3.505 578 HA ILE 79 HA ILE 79 2.277 4.054 -2.413 579 HB ILE 79 HB ILE 79 0.001 5.490 -1.048 580 HG12 ILE 79 1HG1 ILE 79 2.844 5.879 -0.231 581 HG13 ILE 79 2HG1 ILE 79 2.263 6.758 -1.641 582 HG21 ILE 79 1HG2 ILE 79 0.687 3.113 -0.387 583 HG22 ILE 79 2HG2 ILE 79 2.161 3.853 0.236 584 HG23 ILE 79 3HG2 ILE 79 0.593 4.325 0.890 585 HD11 ILE 79 3HD1 ILE 79 0.938 8.114 -0.417 586 HD12 ILE 79 1HD1 ILE 79 0.581 6.872 0.782 587 HD13 ILE 79 2HD1 ILE 79 2.123 7.726 0.830 588 H LYS 80 H LYS 80 1.481 2.030 -2.388 589 HA LYS 80 HA LYS 80 -1.350 1.611 -3.030 590 HB2 LYS 80 1HB LYS 80 -0.424 -0.401 -4.448 591 HB3 LYS 80 2HB LYS 80 -0.551 1.206 -5.150 592 HG2 LYS 80 1HG LYS 80 1.918 1.416 -4.246 593 HG3 LYS 80 2HG LYS 80 1.858 -0.344 -4.373 594 HD2 LYS 80 1HD LYS 80 0.966 1.384 -6.653 595 HD3 LYS 80 2HD LYS 80 2.679 1.041 -6.403 596 HE2 LYS 80 1HE LYS 80 2.015 -1.414 -6.337 597 HE3 LYS 80 2HE LYS 80 0.448 -0.897 -6.958 598 HZ1 LYS 80 3HZ LYS 80 2.968 -1.148 -8.322 599 HZ2 LYS 80 1HZ LYS 80 2.188 0.323 -8.625 600 HZ3 LYS 80 2HZ LYS 80 1.396 -1.136 -8.948 601 H VAL 81 H VAL 81 -1.581 -1.028 -3.027 602 HA VAL 81 HA VAL 81 -0.095 -2.210 -0.836 603 HB VAL 81 HB VAL 81 -2.202 -0.830 0.001 604 HG11 VAL 81 1HG1 VAL 81 -3.685 -2.144 -1.576 605 HG12 VAL 81 2HG1 VAL 81 -3.449 -3.521 -0.498 606 HG13 VAL 81 3HG1 VAL 81 -4.219 -2.051 0.101 607 HG21 VAL 81 3HG2 VAL 81 -0.553 -2.675 1.091 608 HG22 VAL 81 1HG2 VAL 81 -1.865 -1.883 1.965 609 HG23 VAL 81 2HG2 VAL 81 -2.109 -3.485 1.269 610 H ARG 82 H ARG 82 -0.759 -4.490 -0.456 611 HA ARG 82 HA ARG 82 -2.353 -5.784 -2.475 612 HB2 ARG 82 1HB ARG 82 -0.647 -7.065 -3.520 613 HB3 ARG 82 2HB ARG 82 -0.104 -5.393 -3.562 614 HG2 ARG 82 1HG ARG 82 1.571 -5.751 -2.034 615 HG3 ARG 82 2HG ARG 82 0.759 -7.141 -1.311 616 HD2 ARG 82 1HD ARG 82 2.396 -8.219 -2.479 617 HD3 ARG 82 2HD ARG 82 1.137 -8.167 -3.712 618 HE ARG 82 HE ARG 82 2.478 -5.913 -4.219 619 HH11 ARG 82 1HH1 ARG 82 3.578 -9.165 -3.645 620 HH12 ARG 82 2HH1 ARG 82 4.988 -9.004 -4.640 621 HH21 ARG 82 1HH2 ARG 82 4.330 -5.687 -5.532 622 HH22 ARG 82 2HH2 ARG 82 5.415 -7.025 -5.712 623 H ALA 83 H ALA 83 -2.985 -7.838 -1.888 624 HA ALA 83 HA ALA 83 -2.457 -8.553 0.881 625 HB1 ALA 83 3HB ALA 83 -4.211 -10.311 -0.672 626 HB2 ALA 83 1HB ALA 83 -4.481 -9.515 0.879 627 HB3 ALA 83 2HB ALA 83 -4.724 -8.624 -0.624 628 H TRP 84 H TRP 84 -1.582 -10.492 1.569 629 HA TRP 84 HA TRP 84 -0.238 -12.088 -0.514 630 HB2 TRP 84 1HB TRP 84 0.717 -11.290 2.236 631 HB3 TRP 84 2HB TRP 84 1.470 -12.583 1.306 632 HD1 TRP 84 HD TRP 84 0.702 -8.799 0.897 633 HE1 TRP 84 1HE TRP 84 2.601 -7.754 -0.491 634 HE3 TRP 84 3HE TRP 84 3.388 -13.029 -0.116 635 HZ2 TRP 84 2HZ TRP 84 4.929 -8.611 -1.839 636 HZ3 TRP 84 3HZ TRP 84 5.438 -12.830 -1.462 637 HH2 TRP 84 HH TRP 84 6.191 -10.666 -2.305 638 H THR 85 H THR 85 -0.202 -14.316 -0.289 639 HA THR 85 HA THR 85 -1.889 -15.419 1.862 640 HB THR 85 HB THR 85 -2.629 -17.168 0.241 641 HG1 THR 85 1HG THR 85 -1.003 -15.623 -1.442 642 HG21 THR 85 3HG2 THR 85 -3.617 -14.913 -1.222 643 HG22 THR 85 1HG2 THR 85 -3.503 -14.496 0.487 644 HG23 THR 85 2HG2 THR 85 -4.443 -15.901 -0.018 645 H SER 86 H SER 86 -1.452 -17.652 2.426 646 HA SER 86 HA SER 86 1.128 -18.222 3.072 647 HB2 SER 86 1HB SER 86 -0.866 -20.368 2.327 648 HB3 SER 86 2HB SER 86 0.454 -20.486 3.490 649 HG SER 86 HG SER 86 -0.844 -18.540 4.427 650 H LYS 87 H LYS 87 -0.369 -18.577 -0.023 651 HA LYS 87 HA LYS 87 1.622 -20.341 -1.113 652 HB2 LYS 87 1HB LYS 87 -0.466 -18.644 -2.493 653 HB3 LYS 87 2HB LYS 87 0.514 -19.882 -3.270 654 HG2 LYS 87 1HG LYS 87 -1.119 -20.647 -0.907 655 HG3 LYS 87 2HG LYS 87 -1.933 -20.378 -2.451 656 HD2 LYS 87 1HD LYS 87 -0.227 -21.959 -3.463 657 HD3 LYS 87 2HD LYS 87 0.230 -22.371 -1.808 658 HE2 LYS 87 1HE LYS 87 -2.640 -22.491 -2.626 659 HE3 LYS 87 2HE LYS 87 -1.550 -23.798 -3.084 660 HZ1 LYS 87 3HZ LYS 87 -2.699 -23.198 -0.532 661 HZ2 LYS 87 1HZ LYS 87 -1.021 -23.396 -0.444 662 HZ3 LYS 87 2HZ LYS 87 -1.985 -24.630 -1.083 663 H GLY 88 H GLY 88 0.733 -16.974 -1.919 664 HA2 GLY 88 1HA GLY 88 3.451 -16.090 -1.853 665 HA3 GLY 88 2HA GLY 88 2.893 -16.340 -3.501 666 H SER 89 H SER 89 2.646 -14.345 -4.300 667 HA SER 89 HA SER 89 0.991 -12.457 -2.755 668 HB2 SER 89 1HB SER 89 2.200 -10.646 -3.996 669 HB3 SER 89 2HB SER 89 3.237 -11.585 -2.922 670 HG SER 89 HG SER 89 3.296 -12.820 -5.224 671 H GLY 90 H GLY 90 -0.086 -10.788 -4.220 672 HA2 GLY 90 1HA GLY 90 -1.011 -12.096 -6.702 673 HA3 GLY 90 2HA GLY 90 -2.133 -11.337 -5.583 674 HA PRO 91 HA PRO 91 -1.388 -8.112 -8.700 675 HB2 PRO 91 1HB PRO 91 -3.782 -6.893 -8.309 676 HB3 PRO 91 2HB PRO 91 -3.584 -8.311 -9.346 677 HG2 PRO 91 1HG PRO 91 -4.565 -8.151 -6.522 678 HG3 PRO 91 2HG PRO 91 -5.199 -9.107 -7.875 679 HD2 PRO 91 1HD PRO 91 -3.621 -10.174 -5.951 680 HD3 PRO 91 2HD PRO 91 -3.599 -10.747 -7.631 681 H LEU 92 H LEU 92 -1.670 -5.668 -8.492 682 HA LEU 92 HA LEU 92 -1.033 -4.845 -5.735 683 HB2 LEU 92 1HB LEU 92 0.201 -4.184 -8.349 684 HB3 LEU 92 2HB LEU 92 0.104 -2.894 -7.151 685 HG LEU 92 HG LEU 92 1.313 -5.538 -6.432 686 HD11 LEU 92 1HD1 LEU 92 2.259 -4.211 -8.585 687 HD12 LEU 92 2HD1 LEU 92 3.261 -5.162 -7.490 688 HD13 LEU 92 3HD1 LEU 92 3.155 -3.413 -7.292 689 HD21 LEU 92 3HD2 LEU 92 2.720 -3.546 -5.216 690 HD22 LEU 92 1HD2 LEU 92 1.357 -4.406 -4.499 691 HD23 LEU 92 2HD2 LEU 92 1.100 -2.850 -5.290 692 H SER 93 H SER 93 -2.425 -3.484 -4.844 693 HA SER 93 HA SER 93 -4.717 -2.523 -6.073 694 HB2 SER 93 1HB SER 93 -5.183 -1.432 -4.075 695 HB3 SER 93 2HB SER 93 -4.033 -2.658 -3.542 696 HG SER 93 HG SER 93 -3.413 0.038 -4.184 697 HA PRO 94 HA PRO 94 -3.575 1.024 -8.391 698 HB2 PRO 94 1HB PRO 94 -5.750 2.610 -8.043 699 HB3 PRO 94 2HB PRO 94 -5.772 1.156 -9.048 700 HG2 PRO 94 1HG PRO 94 -6.727 1.529 -6.236 701 HG3 PRO 94 2HG PRO 94 -7.498 0.655 -7.572 702 HD2 PRO 94 1HD PRO 94 -6.113 -0.603 -5.615 703 HD3 PRO 94 2HD PRO 94 -6.174 -1.209 -7.282 704 H SER 95 H SER 95 -1.988 2.329 -7.724 705 HA SER 95 HA SER 95 -1.580 3.374 -5.215 706 HB2 SER 95 1HB SER 95 -0.360 5.272 -6.672 707 HB3 SER 95 2HB SER 95 0.301 3.647 -6.488 708 HG SER 95 HG SER 95 -0.619 4.891 -8.714 709 H ILE 96 H ILE 96 -1.910 5.406 -4.253 710 HA ILE 96 HA ILE 96 -4.282 6.811 -5.267 711 HB ILE 96 HB ILE 96 -4.212 7.824 -2.876 712 HG12 ILE 96 1HG1 ILE 96 -2.626 5.286 -2.431 713 HG13 ILE 96 2HG1 ILE 96 -1.949 6.910 -2.366 714 HG21 ILE 96 1HG2 ILE 96 -5.896 6.417 -2.387 715 HG22 ILE 96 2HG2 ILE 96 -5.615 5.809 -4.018 716 HG23 ILE 96 3HG2 ILE 96 -4.904 4.980 -2.633 717 HD11 ILE 96 3HD1 ILE 96 -2.316 6.534 -0.155 718 HD12 ILE 96 1HD1 ILE 96 -3.859 7.265 -0.593 719 HD13 ILE 96 2HD1 ILE 96 -3.724 5.513 -0.446 720 H GLN 97 H GLN 97 -0.922 7.197 -4.523 721 HA GLN 97 HA GLN 97 0.540 8.911 -4.835 722 HB2 GLN 97 1HB GLN 97 -1.696 9.580 -6.675 723 HB3 GLN 97 2HB GLN 97 -0.528 10.850 -6.336 724 HG2 GLN 97 1HG GLN 97 1.154 9.796 -7.435 725 HG3 GLN 97 2HG GLN 97 0.532 8.187 -7.074 726 HE21 GLN 97 1HE2 GLN 97 0.054 7.168 -8.874 727 HE22 GLN 97 2HE2 GLN 97 -0.729 7.846 -10.256 728 H SER 98 H SER 98 -0.779 8.947 -2.448 729 HA SER 98 HA SER 98 -2.061 11.397 -1.847 730 HB2 SER 98 1HB SER 98 -2.046 9.188 -0.499 731 HB3 SER 98 2HB SER 98 -0.531 9.781 0.180 732 HG SER 98 HG SER 98 -2.014 11.801 0.463 733 H ARG 99 H ARG 99 -1.179 13.345 -1.879 734 HA ARG 99 HA ARG 99 1.699 13.664 -1.672 735 HB2 ARG 99 1HB ARG 99 0.688 14.947 -3.399 736 HB3 ARG 99 2HB ARG 99 -0.554 15.558 -2.315 737 HG2 ARG 99 1HG ARG 99 1.100 16.868 -1.118 738 HG3 ARG 99 2HG ARG 99 2.379 16.217 -2.145 739 HD2 ARG 99 1HD ARG 99 1.986 18.182 -3.233 740 HD3 ARG 99 2HD ARG 99 0.821 17.151 -4.064 741 HE ARG 99 HE ARG 99 -0.562 18.199 -1.953 742 HH11 ARG 99 1HH1 ARG 99 1.244 19.514 -4.623 743 HH12 ARG 99 2HH1 ARG 99 0.292 20.958 -4.725 744 HH21 ARG 99 1HH2 ARG 99 -1.822 20.096 -2.077 745 HH22 ARG 99 2HH2 ARG 99 -1.450 21.289 -3.275 746 H THR 100 H THR 100 2.620 13.866 0.251 747 HA THR 100 HA THR 100 1.474 14.128 2.697 748 HB THR 100 HB THR 100 3.602 15.038 3.540 749 HG1 THR 100 1HG THR 100 4.004 15.523 0.790 750 HG21 THR 100 3HG2 THR 100 3.347 12.672 1.855 751 HG22 THR 100 1HG2 THR 100 4.088 12.852 3.445 752 HG23 THR 100 2HG2 THR 100 5.009 13.244 1.993 753 H MET 101 H MET 101 1.126 15.840 4.180 754 HA MET 101 HA MET 101 -0.161 18.095 3.093 755 HB2 MET 101 1HB MET 101 -0.747 18.616 5.249 756 HB3 MET 101 2HB MET 101 -0.343 16.917 5.451 757 HG2 MET 101 1HG MET 101 1.825 17.484 6.321 758 HG3 MET 101 2HG MET 101 1.548 19.193 5.990 759 HE1 MET 101 3HE MET 101 -1.492 16.955 8.082 760 HE2 MET 101 1HE MET 101 -0.083 16.184 7.354 761 HE3 MET 101 2HE MET 101 -0.138 16.454 9.096 762 HA PRO 102 HA PRO 102 3.216 20.834 2.358 763 HB2 PRO 102 1HB PRO 102 1.833 23.170 2.317 764 HB3 PRO 102 2HB PRO 102 1.773 21.995 0.998 765 HG2 PRO 102 1HG PRO 102 -0.176 22.442 3.226 766 HG3 PRO 102 2HG PRO 102 -0.491 22.150 1.505 767 HD2 PRO 102 1HD PRO 102 -0.704 20.204 3.377 768 HD3 PRO 102 2HD PRO 102 -0.194 19.873 1.709 769 H VAL 103 H VAL 103 4.486 20.788 4.189 770 HA VAL 103 HA VAL 103 3.890 21.580 6.748 771 HB VAL 103 HB VAL 103 5.986 20.504 6.282 772 HG11 VAL 103 1HG1 VAL 103 7.529 21.172 4.771 773 HG12 VAL 103 2HG1 VAL 103 6.146 22.011 4.066 774 HG13 VAL 103 3HG1 VAL 103 7.274 22.885 5.103 775 HG21 VAL 103 3HG2 VAL 103 7.455 22.687 7.182 776 HG22 VAL 103 1HG2 VAL 103 5.813 22.988 7.751 777 HG23 VAL 103 2HG2 VAL 103 6.632 21.485 8.176 Start of MODEL 8 1 H1 GLY 1 H GLY 1 9.267 -21.225 -16.769 2 HA2 GLY 1 1HA GLY 1 10.900 -22.723 -14.854 3 HA3 GLY 1 2HA GLY 1 9.955 -21.283 -14.505 4 H SER 2 H SER 2 9.544 -22.933 -12.643 5 HA SER 2 HA SER 2 7.097 -24.429 -13.326 6 HB2 SER 2 1HB SER 2 9.343 -25.147 -11.452 7 HB3 SER 2 2HB SER 2 7.738 -25.856 -11.275 8 HG SER 2 HG SER 2 9.325 -27.024 -12.628 9 H SER 3 H SER 3 5.837 -22.579 -12.834 10 HA SER 3 HA SER 3 5.106 -22.405 -10.065 11 HB2 SER 3 1HB SER 3 6.385 -20.022 -11.419 12 HB3 SER 3 2HB SER 3 5.440 -19.916 -9.934 13 HG SER 3 HG SER 3 7.084 -21.748 -9.355 14 H GLY 4 H GLY 4 3.333 -20.671 -9.791 15 HA2 GLY 4 1HA GLY 4 1.844 -20.177 -12.258 16 HA3 GLY 4 2HA GLY 4 1.075 -21.196 -11.050 17 H SER 5 H SER 5 3.031 -18.240 -10.744 18 HA SER 5 HA SER 5 2.672 -16.457 -9.314 19 HB2 SER 5 1HB SER 5 1.522 -16.085 -11.655 20 HB3 SER 5 2HB SER 5 0.038 -16.144 -10.704 21 HG SER 5 HG SER 5 1.110 -14.016 -11.019 22 H SER 6 H SER 6 1.953 -18.742 -7.954 23 HA SER 6 HA SER 6 -0.600 -18.976 -6.959 24 HB2 SER 6 1HB SER 6 2.068 -19.397 -5.611 25 HB3 SER 6 2HB SER 6 0.539 -19.795 -4.827 26 HG SER 6 HG SER 6 1.716 -21.486 -6.125 27 H GLY 7 H GLY 7 -1.910 -17.703 -5.830 28 HA2 GLY 7 1HA GLY 7 -1.576 -16.299 -3.585 29 HA3 GLY 7 2HA GLY 7 -0.878 -15.199 -4.764 30 HA PRO 8 HA PRO 8 -5.475 -14.434 -4.381 31 HB2 PRO 8 1HB PRO 8 -5.261 -11.790 -3.802 32 HB3 PRO 8 2HB PRO 8 -5.239 -13.050 -2.562 33 HG2 PRO 8 1HG PRO 8 -2.949 -11.582 -3.811 34 HG3 PRO 8 2HG PRO 8 -3.215 -12.000 -2.109 35 HD2 PRO 8 1HD PRO 8 -1.560 -13.419 -3.715 36 HD3 PRO 8 2HD PRO 8 -2.482 -14.166 -2.395 37 H SER 9 H SER 9 -6.737 -13.537 -5.972 38 HA SER 9 HA SER 9 -5.287 -12.394 -8.256 39 HB2 SER 9 1HB SER 9 -6.523 -14.419 -8.783 40 HB3 SER 9 2HB SER 9 -8.000 -13.731 -8.107 41 HG SER 9 HG SER 9 -7.996 -13.512 -10.356 42 H GLY 10 H GLY 10 -7.088 -11.409 -5.674 43 HA2 GLY 10 1HA GLY 10 -8.074 -9.045 -7.149 44 HA3 GLY 10 2HA GLY 10 -8.969 -9.767 -5.820 45 H PHE 11 H PHE 11 -8.026 -7.038 -6.068 46 HA PHE 11 HA PHE 11 -6.038 -6.937 -3.901 47 HB2 PHE 11 1HB PHE 11 -5.937 -4.447 -4.681 48 HB3 PHE 11 2HB PHE 11 -5.124 -5.686 -5.631 49 HD1 PHE 11 2HD PHE 11 -6.167 -6.508 -7.728 50 HD2 PHE 11 1HD PHE 11 -7.729 -3.190 -5.568 51 HE1 PHE 11 2HE PHE 11 -7.439 -5.817 -9.717 52 HE2 PHE 11 1HE PHE 11 -9.005 -2.494 -7.553 53 HZ PHE 11 HZ PHE 11 -8.861 -3.808 -9.632 54 HA PRO 12 HA PRO 12 -8.924 -5.248 -1.061 55 HB2 PRO 12 1HB PRO 12 -7.396 -3.457 0.291 56 HB3 PRO 12 2HB PRO 12 -7.221 -5.206 0.480 57 HG2 PRO 12 1HG PRO 12 -5.598 -3.306 -1.169 58 HG3 PRO 12 2HG PRO 12 -5.052 -4.645 -0.143 59 HD2 PRO 12 1HD PRO 12 -5.249 -4.859 -2.835 60 HD3 PRO 12 2HD PRO 12 -5.527 -6.233 -1.745 61 H GLN 13 H GLN 13 -9.945 -3.219 -0.301 62 HA GLN 13 HA GLN 13 -9.746 -1.060 -2.294 63 HB2 GLN 13 1HB GLN 13 -12.350 -1.718 -0.968 64 HB3 GLN 13 2HB GLN 13 -12.057 -0.883 -2.488 65 HG2 GLN 13 1HG GLN 13 -11.507 -3.808 -2.068 66 HG3 GLN 13 2HG GLN 13 -13.031 -3.177 -2.689 67 HE21 GLN 13 1HE2 GLN 13 -11.874 -4.878 -4.287 68 HE22 GLN 13 2HE2 GLN 13 -11.085 -4.108 -5.617 69 H ASN 14 H ASN 14 -11.245 0.863 -1.331 70 HA ASN 14 HA ASN 14 -11.379 2.545 0.194 71 HB2 ASN 14 1HB ASN 14 -11.288 0.108 1.898 72 HB3 ASN 14 2HB ASN 14 -11.006 1.655 2.691 73 HD21 ASN 14 1HD2 ASN 14 -13.140 0.706 0.027 74 HD22 ASN 14 2HD2 ASN 14 -14.600 1.245 0.777 75 H LEU 15 H LEU 15 -8.802 1.707 -0.994 76 HA LEU 15 HA LEU 15 -6.772 2.136 0.980 77 HB2 LEU 15 1HB LEU 15 -6.511 0.833 -1.159 78 HB3 LEU 15 2HB LEU 15 -6.499 2.377 -2.008 79 HG LEU 15 HG LEU 15 -4.458 3.018 -0.826 80 HD11 LEU 15 1HD1 LEU 15 -3.270 1.119 0.414 81 HD12 LEU 15 2HD1 LEU 15 -4.866 0.377 0.536 82 HD13 LEU 15 3HD1 LEU 15 -4.573 1.962 1.252 83 HD21 LEU 15 3HD2 LEU 15 -4.449 0.390 -2.286 84 HD22 LEU 15 1HD2 LEU 15 -2.966 1.209 -1.796 85 HD23 LEU 15 2HD2 LEU 15 -4.080 1.996 -2.915 86 H HIS 16 H HIS 16 -6.436 4.039 1.907 87 HA HIS 16 HA HIS 16 -5.881 6.373 0.376 88 HB2 HIS 16 1HB HIS 16 -7.702 7.782 1.370 89 HB3 HIS 16 2HB HIS 16 -8.268 6.588 0.206 90 HD1 HIS 16 1HD HIS 16 -10.136 5.141 0.963 91 HD2 HIS 16 2HD HIS 16 -8.120 6.881 4.153 92 HE1 HIS 16 1HE HIS 16 -11.443 4.501 3.015 93 HE2 HIS 16 2HE HIS 16 -10.253 5.636 4.922 94 H VAL 17 H VAL 17 -5.968 8.366 2.102 95 HA VAL 17 HA VAL 17 -4.407 7.384 4.396 96 HB VAL 17 HB VAL 17 -3.126 8.830 2.923 97 HG11 VAL 17 1HG1 VAL 17 -4.422 11.341 3.415 98 HG12 VAL 17 2HG1 VAL 17 -4.006 10.581 1.877 99 HG13 VAL 17 3HG1 VAL 17 -5.549 10.220 2.652 100 HG21 VAL 17 3HG2 VAL 17 -2.103 9.915 4.614 101 HG22 VAL 17 1HG2 VAL 17 -3.585 10.714 5.137 102 HG23 VAL 17 2HG2 VAL 17 -3.267 9.046 5.614 103 H THR 18 H THR 18 -5.087 7.756 6.414 104 HA THR 18 HA THR 18 -7.605 9.184 6.774 105 HB THR 18 HB THR 18 -7.459 6.978 7.787 106 HG1 THR 18 1HG THR 18 -7.292 8.699 10.006 107 HG21 THR 18 3HG2 THR 18 -5.742 7.368 9.980 108 HG22 THR 18 1HG2 THR 18 -4.844 7.887 8.554 109 HG23 THR 18 2HG2 THR 18 -5.523 6.261 8.625 110 H GLY 19 H GLY 19 -4.273 9.719 7.145 111 HA2 GLY 19 1HA GLY 19 -4.614 12.363 8.065 112 HA3 GLY 19 2HA GLY 19 -4.156 11.343 9.420 113 H LEU 20 H LEU 20 -3.167 12.314 6.159 114 HA LEU 20 HA LEU 20 -0.576 11.229 6.252 115 HB2 LEU 20 1HB LEU 20 -0.222 12.268 4.257 116 HB3 LEU 20 2HB LEU 20 -1.984 12.283 4.302 117 HG LEU 20 HG LEU 20 -0.087 14.570 4.761 118 HD11 LEU 20 1HD1 LEU 20 -2.373 15.028 3.071 119 HD12 LEU 20 2HD1 LEU 20 -1.453 13.627 2.523 120 HD13 LEU 20 3HD1 LEU 20 -0.655 15.188 2.707 121 HD21 LEU 20 3HD2 LEU 20 -1.516 15.245 6.360 122 HD22 LEU 20 1HD2 LEU 20 -2.791 14.147 5.830 123 HD23 LEU 20 2HD2 LEU 20 -2.546 15.682 4.996 124 H THR 21 H THR 21 1.404 12.776 6.023 125 HA THR 21 HA THR 21 1.300 15.011 7.890 126 HB THR 21 HB THR 21 3.373 12.860 8.295 127 HG1 THR 21 1HG THR 21 2.060 12.250 10.120 128 HG21 THR 21 3HG2 THR 21 3.942 14.008 10.252 129 HG22 THR 21 1HG2 THR 21 2.425 14.907 10.278 130 HG23 THR 21 2HG2 THR 21 3.662 15.297 9.082 131 H THR 22 H THR 22 3.053 16.456 7.702 132 HA THR 22 HA THR 22 3.996 17.024 5.211 133 HB THR 22 HB THR 22 5.881 18.266 6.336 134 HG1 THR 22 1HG THR 22 5.202 16.606 8.347 135 HG21 THR 22 3HG2 THR 22 3.151 18.702 7.551 136 HG22 THR 22 1HG2 THR 22 3.637 19.252 5.948 137 HG23 THR 22 2HG2 THR 22 4.435 19.899 7.382 138 H SER 23 H SER 23 5.438 14.854 7.579 139 HA SER 23 HA SER 23 7.524 14.160 5.621 140 HB2 SER 23 1HB SER 23 7.468 13.768 8.622 141 HB3 SER 23 2HB SER 23 8.759 13.204 7.561 142 HG SER 23 HG SER 23 9.525 15.159 7.482 143 H THR 24 H THR 24 5.247 12.765 7.955 144 HA THR 24 HA THR 24 5.578 10.139 6.696 145 HB THR 24 HB THR 24 4.575 9.166 8.598 146 HG1 THR 24 1HG THR 24 2.820 10.498 8.949 147 HG21 THR 24 3HG2 THR 24 6.798 9.810 9.136 148 HG22 THR 24 1HG2 THR 24 5.807 10.232 10.532 149 HG23 THR 24 2HG2 THR 24 6.321 11.487 9.404 150 H THR 25 H THR 25 3.550 8.833 6.426 151 HA THR 25 HA THR 25 1.183 10.429 5.796 152 HB THR 25 HB THR 25 2.781 8.858 3.808 153 HG1 THR 25 1HG THR 25 2.889 10.785 2.954 154 HG21 THR 25 3HG2 THR 25 0.613 7.780 3.746 155 HG22 THR 25 1HG2 THR 25 0.799 8.805 2.324 156 HG23 THR 25 2HG2 THR 25 -0.196 9.345 3.676 157 H GLU 26 H GLU 26 -0.376 9.487 6.936 158 HA GLU 26 HA GLU 26 -0.277 6.744 7.728 159 HB2 GLU 26 1HB GLU 26 -2.344 8.915 8.008 160 HB3 GLU 26 2HB GLU 26 -2.658 7.268 8.537 161 HG2 GLU 26 1HG GLU 26 -0.496 7.508 9.897 162 HG3 GLU 26 2HG GLU 26 -0.676 9.238 9.606 163 H LEU 27 H LEU 27 -2.083 5.219 7.330 164 HA LEU 27 HA LEU 27 -3.466 5.579 4.786 165 HB2 LEU 27 1HB LEU 27 -1.750 3.169 5.358 166 HB3 LEU 27 2HB LEU 27 -2.722 3.446 3.914 167 HG LEU 27 HG LEU 27 -0.316 5.077 4.729 168 HD11 LEU 27 1HD1 LEU 27 -0.293 3.404 2.299 169 HD12 LEU 27 2HD1 LEU 27 -0.199 2.549 3.838 170 HD13 LEU 27 3HD1 LEU 27 1.001 3.778 3.438 171 HD21 LEU 27 3HD2 LEU 27 -1.232 5.169 1.963 172 HD22 LEU 27 1HD2 LEU 27 -0.780 6.479 3.054 173 HD23 LEU 27 2HD2 LEU 27 -2.410 5.809 3.110 174 H ALA 28 H ALA 28 -5.087 3.859 4.401 175 HA ALA 28 HA ALA 28 -5.841 2.097 6.509 176 HB1 ALA 28 3HB ALA 28 -8.063 3.259 6.936 177 HB2 ALA 28 1HB ALA 28 -6.633 3.974 7.680 178 HB3 ALA 28 2HB ALA 28 -7.324 4.694 6.225 179 H TRP 29 H TRP 29 -6.332 0.442 5.211 180 HA TRP 29 HA TRP 29 -8.346 0.899 3.112 181 HB2 TRP 29 1HB TRP 29 -7.224 -0.791 1.720 182 HB3 TRP 29 2HB TRP 29 -6.162 0.572 2.059 183 HD1 TRP 29 HD TRP 29 -6.548 -3.156 2.708 184 HE1 TRP 29 1HE TRP 29 -4.374 -4.052 3.754 185 HE3 TRP 29 3HE TRP 29 -4.164 1.286 3.553 186 HZ2 TRP 29 2HZ TRP 29 -1.967 -3.013 4.800 187 HZ3 TRP 29 3HZ TRP 29 -1.929 1.248 4.580 188 HH2 TRP 29 HH TRP 29 -0.855 -0.858 5.190 189 H ASP 30 H ASP 30 -8.996 -1.531 2.325 190 HA ASP 30 HA ASP 30 -9.611 -3.065 4.762 191 HB2 ASP 30 1HB ASP 30 -11.458 -1.963 2.710 192 HB3 ASP 30 2HB ASP 30 -11.810 -3.578 3.319 193 HA PRO 31 HA PRO 31 -8.373 -6.691 2.629 194 HB2 PRO 31 1HB PRO 31 -10.198 -8.525 3.450 195 HB3 PRO 31 2HB PRO 31 -8.936 -7.885 4.510 196 HG2 PRO 31 1HG PRO 31 -11.818 -7.099 4.305 197 HG3 PRO 31 2HG PRO 31 -10.825 -7.342 5.754 198 HD2 PRO 31 1HD PRO 31 -11.372 -4.884 4.759 199 HD3 PRO 31 2HD PRO 31 -9.848 -5.261 5.587 200 HA PRO 32 HA PRO 32 -10.578 -7.282 -1.131 201 HB2 PRO 32 1HB PRO 32 -9.964 -9.857 -1.734 202 HB3 PRO 32 2HB PRO 32 -8.794 -8.537 -1.854 203 HG2 PRO 32 1HG PRO 32 -9.158 -10.552 0.329 204 HG3 PRO 32 2HG PRO 32 -7.658 -9.955 -0.403 205 HD2 PRO 32 1HD PRO 32 -8.577 -9.051 1.978 206 HD3 PRO 32 2HD PRO 32 -7.665 -8.023 0.854 207 H VAL 33 H VAL 33 -12.618 -7.741 -1.710 208 HA VAL 33 HA VAL 33 -14.562 -8.663 -0.048 209 HB VAL 33 HB VAL 33 -15.885 -9.263 -2.103 210 HG11 VAL 33 1HG1 VAL 33 -16.074 -7.052 -1.276 211 HG12 VAL 33 2HG1 VAL 33 -14.491 -6.602 -1.914 212 HG13 VAL 33 3HG1 VAL 33 -15.833 -6.912 -3.017 213 HG21 VAL 33 3HG2 VAL 33 -13.819 -8.085 -3.844 214 HG22 VAL 33 1HG2 VAL 33 -13.500 -9.723 -3.273 215 HG23 VAL 33 2HG2 VAL 33 -14.979 -9.373 -4.168 216 H LEU 34 H LEU 34 -15.436 -10.584 0.559 217 HA LEU 34 HA LEU 34 -13.904 -12.878 0.656 218 HB2 LEU 34 1HB LEU 34 -15.774 -13.978 1.537 219 HB3 LEU 34 2HB LEU 34 -15.964 -12.290 2.007 220 HG LEU 34 HG LEU 34 -17.460 -12.192 -0.154 221 HD11 LEU 34 1HD1 LEU 34 -17.154 -15.094 0.399 222 HD12 LEU 34 2HD1 LEU 34 -17.360 -14.248 -1.134 223 HD13 LEU 34 3HD1 LEU 34 -18.745 -14.495 -0.071 224 HD21 LEU 34 3HD2 LEU 34 -18.831 -13.633 2.024 225 HD22 LEU 34 1HD2 LEU 34 -19.212 -12.087 1.265 226 HD23 LEU 34 2HD2 LEU 34 -17.947 -12.179 2.491 227 H ALA 35 H ALA 35 -15.814 -11.673 -1.934 228 HA ALA 35 HA ALA 35 -16.241 -14.141 -3.296 229 HB1 ALA 35 3HB ALA 35 -16.273 -12.112 -5.207 230 HB2 ALA 35 1HB ALA 35 -17.657 -12.793 -4.351 231 HB3 ALA 35 2HB ALA 35 -16.850 -11.356 -3.722 232 H GLU 36 H GLU 36 -13.684 -11.745 -3.269 233 HA GLU 36 HA GLU 36 -12.227 -13.320 -5.287 234 HB2 GLU 36 1HB GLU 36 -12.088 -10.404 -4.547 235 HB3 GLU 36 2HB GLU 36 -10.807 -11.191 -5.458 236 HG2 GLU 36 1HG GLU 36 -12.573 -9.938 -6.777 237 HG3 GLU 36 2HG GLU 36 -12.190 -11.578 -7.298 238 H ARG 37 H ARG 37 -12.104 -14.522 -2.966 239 HA ARG 37 HA ARG 37 -9.470 -13.784 -1.875 240 HB2 ARG 37 1HB ARG 37 -12.004 -14.469 -0.469 241 HB3 ARG 37 2HB ARG 37 -10.500 -15.052 0.230 242 HG2 ARG 37 1HG ARG 37 -9.649 -12.755 0.297 243 HG3 ARG 37 2HG ARG 37 -11.176 -12.182 -0.376 244 HD2 ARG 37 1HD ARG 37 -11.455 -11.844 1.902 245 HD3 ARG 37 2HD ARG 37 -12.252 -13.394 1.633 246 HE ARG 37 HE ARG 37 -9.791 -12.923 3.095 247 HH11 ARG 37 1HH1 ARG 37 -11.931 -15.235 1.613 248 HH12 ARG 37 2HH1 ARG 37 -11.324 -16.577 2.525 249 HH21 ARG 37 1HH2 ARG 37 -8.984 -14.683 4.302 250 HH22 ARG 37 2HH2 ARG 37 -9.649 -16.262 4.055 251 H ASN 38 H ASN 38 -8.800 -15.293 -3.625 252 HA ASN 38 HA ASN 38 -9.349 -17.870 -4.045 253 HB2 ASN 38 1HB ASN 38 -6.502 -16.971 -3.579 254 HB3 ASN 38 2HB ASN 38 -7.056 -18.258 -4.644 255 HD21 ASN 38 1HD2 ASN 38 -9.381 -16.474 -5.388 256 HD22 ASN 38 2HD2 ASN 38 -8.718 -15.388 -6.557 257 H GLY 39 H GLY 39 -7.383 -16.726 -1.310 258 HA2 GLY 39 1HA GLY 39 -8.105 -19.193 0.119 259 HA3 GLY 39 2HA GLY 39 -6.413 -18.730 0.013 260 H ARG 40 H ARG 40 -5.686 -17.786 1.786 261 HA ARG 40 HA ARG 40 -7.526 -16.059 3.308 262 HB2 ARG 40 1HB ARG 40 -6.307 -16.742 5.351 263 HB3 ARG 40 2HB ARG 40 -7.115 -18.090 4.562 264 HG2 ARG 40 1HG ARG 40 -4.275 -17.575 3.872 265 HG3 ARG 40 2HG ARG 40 -4.640 -18.273 5.452 266 HD2 ARG 40 1HD ARG 40 -6.075 -19.958 4.168 267 HD3 ARG 40 2HD ARG 40 -5.242 -19.380 2.726 268 HE ARG 40 HE ARG 40 -3.231 -19.992 4.456 269 HH11 ARG 40 1HH1 ARG 40 -5.960 -21.727 3.166 270 HH12 ARG 40 2HH1 ARG 40 -5.177 -23.271 3.234 271 HH21 ARG 40 1HH2 ARG 40 -2.190 -22.019 4.551 272 HH22 ARG 40 2HH2 ARG 40 -3.033 -23.436 4.023 273 H ILE 41 H ILE 41 -6.355 -14.455 4.707 274 HA ILE 41 HA ILE 41 -4.093 -13.337 3.195 275 HB ILE 41 HB ILE 41 -5.777 -11.815 5.169 276 HG12 ILE 41 1HG1 ILE 41 -7.354 -12.648 3.560 277 HG13 ILE 41 2HG1 ILE 41 -7.031 -10.964 3.165 278 HG21 ILE 41 1HG2 ILE 41 -4.147 -10.340 4.747 279 HG22 ILE 41 2HG2 ILE 41 -3.599 -11.213 3.318 280 HG23 ILE 41 3HG2 ILE 41 -4.963 -10.101 3.202 281 HD11 ILE 41 3HD1 ILE 41 -7.051 -12.095 1.120 282 HD12 ILE 41 1HD1 ILE 41 -5.345 -11.843 1.487 283 HD13 ILE 41 2HD1 ILE 41 -6.079 -13.425 1.748 284 H ILE 42 H ILE 42 -2.203 -12.800 4.192 285 HA ILE 42 HA ILE 42 -1.967 -13.533 7.038 286 HB ILE 42 HB ILE 42 0.436 -14.012 6.547 287 HG12 ILE 42 1HG1 ILE 42 -0.446 -13.907 3.656 288 HG13 ILE 42 2HG1 ILE 42 0.509 -12.654 4.442 289 HG21 ILE 42 1HG2 ILE 42 0.016 -16.192 5.504 290 HG22 ILE 42 2HG2 ILE 42 -1.187 -15.810 6.735 291 HG23 ILE 42 3HG2 ILE 42 -1.592 -15.646 5.027 292 HD11 ILE 42 3HD1 ILE 42 1.905 -14.141 3.128 293 HD12 ILE 42 1HD1 ILE 42 2.293 -14.262 4.844 294 HD13 ILE 42 2HD1 ILE 42 1.335 -15.522 4.065 295 H SER 43 H SER 43 -1.078 -11.250 4.528 296 HA SER 43 HA SER 43 -0.843 -9.100 6.347 297 HB2 SER 43 1HB SER 43 1.627 -8.656 5.899 298 HB3 SER 43 2HB SER 43 1.265 -9.972 7.016 299 HG SER 43 HG SER 43 2.567 -11.013 5.708 300 H TYR 44 H TYR 44 0.438 -7.205 5.121 301 HA TYR 44 HA TYR 44 -0.203 -7.317 2.261 302 HB2 TYR 44 1HB TYR 44 -1.089 -5.127 4.151 303 HB3 TYR 44 2HB TYR 44 -1.243 -5.070 2.399 304 HD1 TYR 44 2HD TYR 44 -2.159 -7.317 5.246 305 HD2 TYR 44 1HD TYR 44 -3.277 -5.662 1.489 306 HE1 TYR 44 2HE TYR 44 -4.341 -8.440 5.407 307 HE2 TYR 44 1HE TYR 44 -5.462 -6.780 1.640 308 HH TYR 44 HH TYR 44 -6.927 -7.663 3.864 309 H THR 45 H THR 45 0.896 -5.744 0.975 310 HA THR 45 HA THR 45 3.309 -4.664 2.280 311 HB THR 45 HB THR 45 3.003 -5.631 -0.570 312 HG1 THR 45 1HG THR 45 4.615 -7.180 0.227 313 HG21 THR 45 3HG2 THR 45 5.472 -4.626 0.848 314 HG22 THR 45 1HG2 THR 45 4.537 -3.692 -0.320 315 HG23 THR 45 2HG2 THR 45 5.360 -5.167 -0.827 316 H VAL 46 H VAL 46 3.300 -2.526 2.413 317 HA VAL 46 HA VAL 46 1.663 -0.962 0.567 318 HB VAL 46 HB VAL 46 3.122 -0.141 3.082 319 HG11 VAL 46 1HG1 VAL 46 2.260 1.459 0.936 320 HG12 VAL 46 2HG1 VAL 46 1.098 1.701 2.242 321 HG13 VAL 46 3HG1 VAL 46 2.816 1.986 2.524 322 HG21 VAL 46 3HG2 VAL 46 1.237 -0.540 4.237 323 HG22 VAL 46 1HG2 VAL 46 0.200 0.058 2.942 324 HG23 VAL 46 2HG2 VAL 46 0.826 -1.590 2.882 325 H VAL 47 H VAL 47 2.788 -0.779 -1.319 326 HA VAL 47 HA VAL 47 5.593 -0.005 -1.272 327 HB VAL 47 HB VAL 47 3.744 -0.581 -3.590 328 HG11 VAL 47 1HG1 VAL 47 6.502 -0.748 -4.279 329 HG12 VAL 47 2HG1 VAL 47 5.256 0.307 -4.950 330 HG13 VAL 47 3HG1 VAL 47 6.196 0.829 -3.552 331 HG21 VAL 47 3HG2 VAL 47 6.091 -2.273 -2.947 332 HG22 VAL 47 1HG2 VAL 47 4.688 -2.395 -1.884 333 HG23 VAL 47 2HG2 VAL 47 4.518 -2.719 -3.609 334 H PHE 48 H PHE 48 6.087 2.069 -1.045 335 HA PHE 48 HA PHE 48 4.350 4.074 -2.328 336 HB2 PHE 48 1HB PHE 48 5.106 5.660 -0.590 337 HB3 PHE 48 2HB PHE 48 4.274 4.270 0.099 338 HD1 PHE 48 2HD PHE 48 5.835 2.293 0.830 339 HD2 PHE 48 1HD PHE 48 7.109 6.322 0.319 340 HE1 PHE 48 2HE PHE 48 7.764 1.865 2.295 341 HE2 PHE 48 1HE PHE 48 9.041 5.900 1.783 342 HZ PHE 48 HZ PHE 48 9.370 3.669 2.775 343 H ARG 49 H ARG 49 5.286 5.695 -3.527 344 HA ARG 49 HA ARG 49 8.146 6.019 -3.637 345 HB2 ARG 49 1HB ARG 49 8.064 4.145 -5.091 346 HB3 ARG 49 2HB ARG 49 6.629 4.749 -5.909 347 HG2 ARG 49 1HG ARG 49 8.134 6.718 -6.618 348 HG3 ARG 49 2HG ARG 49 9.467 5.651 -6.171 349 HD2 ARG 49 1HD ARG 49 9.007 5.440 -8.535 350 HD3 ARG 49 2HD ARG 49 8.580 3.942 -7.708 351 HE ARG 49 HE ARG 49 6.249 5.336 -7.776 352 HH11 ARG 49 1HH1 ARG 49 8.565 4.360 -10.185 353 HH12 ARG 49 2HH1 ARG 49 7.391 4.238 -11.452 354 HH21 ARG 49 1HH2 ARG 49 4.693 5.178 -9.437 355 HH22 ARG 49 2HH2 ARG 49 5.189 4.704 -11.027 356 H ASP 50 H ASP 50 8.781 7.918 -4.677 357 HA ASP 50 HA ASP 50 6.709 9.910 -4.892 358 HB2 ASP 50 1HB ASP 50 9.536 10.478 -5.668 359 HB3 ASP 50 2HB ASP 50 8.394 11.483 -4.781 360 H ILE 51 H ILE 51 5.521 9.983 -6.685 361 HA ILE 51 HA ILE 51 6.162 8.936 -9.171 362 HB ILE 51 HB ILE 51 4.362 10.334 -10.090 363 HG12 ILE 51 1HG1 ILE 51 4.056 11.541 -7.346 364 HG13 ILE 51 2HG1 ILE 51 5.004 12.327 -8.603 365 HG21 ILE 51 1HG2 ILE 51 3.833 9.020 -7.435 366 HG22 ILE 51 2HG2 ILE 51 2.557 9.564 -8.523 367 HG23 ILE 51 3HG2 ILE 51 3.684 8.312 -9.043 368 HD11 ILE 51 3HD1 ILE 51 2.739 13.218 -8.466 369 HD12 ILE 51 1HD1 ILE 51 3.046 12.455 -10.025 370 HD13 ILE 51 2HD1 ILE 51 2.088 11.614 -8.805 371 H ASN 52 H ASN 52 7.425 11.689 -7.671 372 HA ASN 52 HA ASN 52 8.100 13.038 -10.163 373 HB2 ASN 52 1HB ASN 52 8.943 13.820 -7.371 374 HB3 ASN 52 2HB ASN 52 8.907 14.836 -8.808 375 HD21 ASN 52 1HD2 ASN 52 6.947 13.162 -6.440 376 HD22 ASN 52 2HD2 ASN 52 5.521 14.109 -6.671 377 H SER 53 H SER 53 9.507 10.919 -7.820 378 HA SER 53 HA SER 53 12.118 11.180 -9.163 379 HB2 SER 53 1HB SER 53 11.385 10.819 -6.302 380 HB3 SER 53 2HB SER 53 12.821 9.973 -6.878 381 HG SER 53 HG SER 53 12.325 12.756 -7.148 382 H GLN 54 H GLN 54 13.437 9.021 -8.652 383 HA GLN 54 HA GLN 54 11.717 6.819 -9.575 384 HB2 GLN 54 1HB GLN 54 13.610 7.703 -11.060 385 HB3 GLN 54 2HB GLN 54 14.706 6.955 -9.906 386 HG2 GLN 54 1HG GLN 54 14.134 5.616 -11.971 387 HG3 GLN 54 2HG GLN 54 13.955 4.798 -10.420 388 HE21 GLN 54 1HE2 GLN 54 11.981 4.094 -9.786 389 HE22 GLN 54 2HE2 GLN 54 10.555 4.216 -10.754 390 H GLN 55 H GLN 55 12.338 7.676 -6.772 391 HA GLN 55 HA GLN 55 13.913 5.445 -5.763 392 HB2 GLN 55 1HB GLN 55 14.351 7.566 -4.727 393 HB3 GLN 55 2HB GLN 55 12.641 7.822 -4.405 394 HG2 GLN 55 1HG GLN 55 13.851 7.196 -2.390 395 HG3 GLN 55 2HG GLN 55 12.640 5.989 -2.819 396 HE21 GLN 55 1HE2 GLN 55 13.376 4.045 -3.865 397 HE22 GLN 55 2HE2 GLN 55 14.967 3.450 -3.548 398 H GLU 56 H GLU 56 12.732 3.601 -5.946 399 HA GLU 56 HA GLU 56 9.950 3.549 -5.123 400 HB2 GLU 56 1HB GLU 56 10.985 2.261 -7.105 401 HB3 GLU 56 2HB GLU 56 11.590 1.147 -5.887 402 HG2 GLU 56 1HG GLU 56 9.301 0.731 -5.134 403 HG3 GLU 56 2HG GLU 56 8.700 1.837 -6.367 404 H LEU 57 H LEU 57 9.136 2.553 -3.327 405 HA LEU 57 HA LEU 57 10.867 1.045 -1.561 406 HB2 LEU 57 1HB LEU 57 9.507 3.512 -0.507 407 HB3 LEU 57 2HB LEU 57 10.626 2.450 0.344 408 HG LEU 57 HG LEU 57 11.482 4.062 -2.043 409 HD11 LEU 57 1HD1 LEU 57 10.449 5.380 -0.027 410 HD12 LEU 57 2HD1 LEU 57 11.955 5.912 -0.775 411 HD13 LEU 57 3HD1 LEU 57 11.994 5.004 0.737 412 HD21 LEU 57 3HD2 LEU 57 13.320 3.486 0.166 413 HD22 LEU 57 1HD2 LEU 57 13.552 3.338 -1.576 414 HD23 LEU 57 2HD2 LEU 57 12.726 2.060 -0.684 415 H GLN 58 H GLN 58 9.640 0.235 0.366 416 HA GLN 58 HA GLN 58 6.779 0.317 0.304 417 HB2 GLN 58 1HB GLN 58 6.353 -1.983 -0.262 418 HB3 GLN 58 2HB GLN 58 7.276 -1.249 -1.566 419 HG2 GLN 58 1HG GLN 58 9.326 -2.234 -0.309 420 HG3 GLN 58 2HG GLN 58 8.124 -3.285 0.439 421 HE21 GLN 58 1HE2 GLN 58 9.949 -2.597 -2.368 422 HE22 GLN 58 2HE2 GLN 58 9.367 -3.899 -3.343 423 H ASN 59 H ASN 59 5.851 -1.289 1.925 424 HA ASN 59 HA ASN 59 7.759 -1.983 4.034 425 HB2 ASN 59 1HB ASN 59 5.430 -0.105 4.292 426 HB3 ASN 59 2HB ASN 59 5.962 -1.054 5.677 427 HD21 ASN 59 1HD2 ASN 59 8.613 -1.048 5.546 428 HD22 ASN 59 2HD2 ASN 59 9.244 0.558 5.627 429 H ILE 60 H ILE 60 6.519 -3.184 5.857 430 HA ILE 60 HA ILE 60 4.376 -4.841 4.722 431 HB ILE 60 HB ILE 60 6.742 -5.955 6.232 432 HG12 ILE 60 1HG1 ILE 60 6.021 -6.190 3.302 433 HG13 ILE 60 2HG1 ILE 60 7.351 -5.240 3.956 434 HG21 ILE 60 1HG2 ILE 60 4.200 -6.954 6.076 435 HG22 ILE 60 2HG2 ILE 60 5.011 -7.776 4.744 436 HG23 ILE 60 3HG2 ILE 60 5.654 -7.905 6.381 437 HD11 ILE 60 3HD1 ILE 60 8.520 -7.181 4.628 438 HD12 ILE 60 1HD1 ILE 60 7.122 -8.211 4.323 439 HD13 ILE 60 2HD1 ILE 60 7.974 -7.458 2.975 440 H THR 61 H THR 61 2.770 -5.346 6.108 441 HA THR 61 HA THR 61 3.154 -5.191 8.974 442 HB THR 61 HB THR 61 2.700 -2.844 8.415 443 HG1 THR 61 1HG THR 61 1.584 -4.198 10.252 444 HG21 THR 61 3HG2 THR 61 0.878 -3.965 6.572 445 HG22 THR 61 1HG2 THR 61 1.235 -2.260 6.842 446 HG23 THR 61 2HG2 THR 61 -0.072 -3.039 7.733 447 H THR 62 H THR 62 1.671 -6.380 10.108 448 HA THR 62 HA THR 62 0.003 -8.158 8.557 449 HB THR 62 HB THR 62 -0.443 -9.296 10.682 450 HG1 THR 62 1HG THR 62 0.584 -6.928 11.695 451 HG21 THR 62 3HG2 THR 62 2.430 -8.902 11.030 452 HG22 THR 62 1HG2 THR 62 1.962 -9.183 9.354 453 HG23 THR 62 2HG2 THR 62 1.532 -10.357 10.598 454 H ASP 63 H ASP 63 -0.613 -5.198 8.998 455 HA ASP 63 HA ASP 63 -3.376 -5.583 9.950 456 HB2 ASP 63 1HB ASP 63 -1.407 -3.415 10.513 457 HB3 ASP 63 2HB ASP 63 -3.105 -2.970 10.368 458 H THR 64 H THR 64 -4.954 -4.078 9.000 459 HA THR 64 HA THR 64 -4.563 -3.907 6.145 460 HB THR 64 HB THR 64 -6.967 -2.776 6.440 461 HG1 THR 64 1HG THR 64 -7.842 -4.146 8.325 462 HG21 THR 64 3HG2 THR 64 -7.944 -4.941 6.109 463 HG22 THR 64 1HG2 THR 64 -6.554 -5.738 6.846 464 HG23 THR 64 2HG2 THR 64 -6.381 -4.922 5.292 465 H ARG 65 H ARG 65 -3.186 -2.078 8.190 466 HA ARG 65 HA ARG 65 -3.612 0.372 6.658 467 HB2 ARG 65 1HB ARG 65 -3.722 1.756 8.662 468 HB3 ARG 65 2HB ARG 65 -5.041 0.593 8.644 469 HG2 ARG 65 1HG ARG 65 -4.387 0.371 10.804 470 HG3 ARG 65 2HG ARG 65 -3.322 -0.828 10.067 471 HD2 ARG 65 1HD ARG 65 -1.586 0.977 9.882 472 HD3 ARG 65 2HD ARG 65 -2.645 2.001 10.850 473 HE ARG 65 HE ARG 65 -2.382 -0.252 12.344 474 HH11 ARG 65 1HH1 ARG 65 -0.130 1.958 10.873 475 HH12 ARG 65 2HH1 ARG 65 1.091 1.721 12.079 476 HH21 ARG 65 1HH2 ARG 65 -0.782 -0.573 13.937 477 HH22 ARG 65 2HH2 ARG 65 0.719 0.281 13.821 478 H PHE 66 H PHE 66 -1.903 2.050 7.297 479 HA PHE 66 HA PHE 66 0.498 1.235 8.538 480 HB2 PHE 66 1HB PHE 66 0.554 -0.180 6.447 481 HB3 PHE 66 2HB PHE 66 0.661 1.314 5.522 482 HD1 PHE 66 1HD PHE 66 2.410 -0.956 7.787 483 HD2 PHE 66 2HD PHE 66 2.676 2.646 5.535 484 HE1 PHE 66 1HE PHE 66 4.854 -0.962 8.072 485 HE2 PHE 66 2HE PHE 66 5.120 2.645 5.816 486 HZ PHE 66 HZ PHE 66 6.213 0.839 7.085 487 H THR 67 H THR 67 2.172 2.857 8.412 488 HA THR 67 HA THR 67 1.268 5.431 7.308 489 HB THR 67 HB THR 67 2.490 5.013 10.043 490 HG1 THR 67 1HG THR 67 0.170 4.578 9.732 491 HG21 THR 67 3HG2 THR 67 2.551 7.280 8.318 492 HG22 THR 67 1HG2 THR 67 3.149 7.139 9.971 493 HG23 THR 67 2HG2 THR 67 1.484 7.641 9.675 494 H LEU 68 H LEU 68 2.686 5.909 5.759 495 HA LEU 68 HA LEU 68 5.305 4.912 5.581 496 HB2 LEU 68 1HB LEU 68 3.960 7.265 4.275 497 HB3 LEU 68 2HB LEU 68 5.603 6.760 3.884 498 HG LEU 68 HG LEU 68 4.505 5.695 2.211 499 HD11 LEU 68 1HD1 LEU 68 3.912 3.681 4.364 500 HD12 LEU 68 2HD1 LEU 68 5.536 3.989 3.749 501 HD13 LEU 68 3HD1 LEU 68 4.284 3.384 2.666 502 HD21 LEU 68 3HD2 LEU 68 2.205 4.904 2.312 503 HD22 LEU 68 1HD2 LEU 68 2.309 6.591 2.819 504 HD23 LEU 68 2HD2 LEU 68 2.125 5.317 4.026 505 H THR 69 H THR 69 7.210 6.544 5.274 506 HA THR 69 HA THR 69 7.241 8.784 7.075 507 HB THR 69 HB THR 69 8.939 7.962 8.603 508 HG1 THR 69 1HG THR 69 9.695 5.864 8.482 509 HG21 THR 69 3HG2 THR 69 7.611 6.410 9.896 510 HG22 THR 69 1HG2 THR 69 6.652 5.994 8.476 511 HG23 THR 69 2HG2 THR 69 6.548 7.613 9.167 512 H GLY 70 H GLY 70 9.527 9.700 7.244 513 HA2 GLY 70 1HA GLY 70 11.377 10.545 6.181 514 HA3 GLY 70 2HA GLY 70 11.562 8.951 5.465 515 H LEU 71 H LEU 71 8.764 11.026 5.013 516 HA LEU 71 HA LEU 71 9.390 11.117 2.147 517 HB2 LEU 71 1HB LEU 71 6.753 11.909 3.307 518 HB3 LEU 71 2HB LEU 71 7.120 11.270 1.707 519 HG LEU 71 HG LEU 71 7.336 9.598 4.198 520 HD11 LEU 71 1HD1 LEU 71 5.066 8.732 3.032 521 HD12 LEU 71 2HD1 LEU 71 4.947 10.462 2.712 522 HD13 LEU 71 3HD1 LEU 71 5.110 9.881 4.369 523 HD21 LEU 71 3HD2 LEU 71 8.328 8.287 2.668 524 HD22 LEU 71 1HD2 LEU 71 7.655 9.188 1.309 525 HD23 LEU 71 2HD2 LEU 71 6.679 7.968 2.129 526 H LYS 72 H LYS 72 8.668 13.116 0.986 527 HA LYS 72 HA LYS 72 9.571 15.460 2.491 528 HB2 LYS 72 1HB LYS 72 10.812 15.148 0.489 529 HB3 LYS 72 2HB LYS 72 9.356 14.869 -0.457 530 HG2 LYS 72 1HG LYS 72 8.764 17.305 0.250 531 HG3 LYS 72 2HG LYS 72 10.499 17.432 0.551 532 HD2 LYS 72 1HD LYS 72 9.543 16.295 -2.039 533 HD3 LYS 72 2HD LYS 72 9.503 18.043 -1.796 534 HE2 LYS 72 1HE LYS 72 12.001 16.599 -1.091 535 HE3 LYS 72 2HE LYS 72 11.624 16.798 -2.802 536 HZ1 LYS 72 3HZ LYS 72 11.197 19.262 -1.960 537 HZ2 LYS 72 1HZ LYS 72 12.720 18.728 -2.467 538 HZ3 LYS 72 2HZ LYS 72 12.355 18.800 -0.817 539 HA PRO 73 HA PRO 73 5.517 17.165 2.708 540 HB2 PRO 73 1HB PRO 73 6.172 19.784 2.991 541 HB3 PRO 73 2HB PRO 73 6.368 18.599 4.288 542 HG2 PRO 73 1HG PRO 73 8.412 19.686 2.389 543 HG3 PRO 73 2HG PRO 73 8.547 19.397 4.133 544 HD2 PRO 73 1HD PRO 73 9.560 17.691 2.291 545 HD3 PRO 73 2HD PRO 73 8.930 17.141 3.857 546 H ASP 74 H ASP 74 4.000 18.200 1.439 547 HA ASP 74 HA ASP 74 3.049 18.886 -0.514 548 HB2 ASP 74 1HB ASP 74 4.118 21.001 0.259 549 HB3 ASP 74 2HB ASP 74 5.528 20.606 -0.720 550 H THR 75 H THR 75 4.137 16.502 -0.907 551 HA THR 75 HA THR 75 5.061 16.656 -3.664 552 HB THR 75 HB THR 75 6.637 15.351 -1.456 553 HG1 THR 75 1HG THR 75 7.390 17.367 -1.980 554 HG21 THR 75 3HG2 THR 75 6.699 13.562 -2.883 555 HG22 THR 75 1HG2 THR 75 8.000 14.528 -3.577 556 HG23 THR 75 2HG2 THR 75 6.397 14.550 -4.312 557 H THR 76 H THR 76 4.051 15.195 -4.882 558 HA THR 76 HA THR 76 2.119 13.444 -3.805 559 HB THR 76 HB THR 76 3.333 13.417 -6.576 560 HG1 THR 76 1HG THR 76 0.814 14.507 -5.977 561 HG21 THR 76 3HG2 THR 76 1.153 11.892 -5.289 562 HG22 THR 76 1HG2 THR 76 2.189 11.460 -6.649 563 HG23 THR 76 2HG2 THR 76 0.811 12.533 -6.895 564 H TYR 77 H TYR 77 2.220 11.379 -3.166 565 HA TYR 77 HA TYR 77 4.671 9.857 -3.762 566 HB2 TYR 77 1HB TYR 77 3.313 10.356 -1.157 567 HB3 TYR 77 2HB TYR 77 4.033 8.772 -1.417 568 HD1 TYR 77 1HD TYR 77 6.454 8.532 -1.679 569 HD2 TYR 77 2HD TYR 77 4.687 12.326 -0.910 570 HE1 TYR 77 1HE TYR 77 8.661 9.430 -1.070 571 HE2 TYR 77 2HE TYR 77 6.890 13.234 -0.300 572 HH TYR 77 HH TYR 77 9.564 12.260 -1.087 573 H ASP 78 H ASP 78 4.036 8.366 -5.188 574 HA ASP 78 HA ASP 78 1.423 7.285 -5.332 575 HB2 ASP 78 1HB ASP 78 2.723 7.293 -7.327 576 HB3 ASP 78 2HB ASP 78 4.051 6.437 -6.547 577 H ILE 79 H ILE 79 0.746 6.326 -3.465 578 HA ILE 79 HA ILE 79 2.357 4.085 -2.441 579 HB ILE 79 HB ILE 79 0.119 5.514 -1.008 580 HG12 ILE 79 1HG1 ILE 79 2.978 5.832 -0.221 581 HG13 ILE 79 2HG1 ILE 79 2.395 6.755 -1.602 582 HG21 ILE 79 1HG2 ILE 79 2.257 3.700 0.091 583 HG22 ILE 79 2HG2 ILE 79 0.858 4.351 0.943 584 HG23 ILE 79 3HG2 ILE 79 0.634 3.163 -0.341 585 HD11 ILE 79 3HD1 ILE 79 0.758 6.835 0.858 586 HD12 ILE 79 1HD1 ILE 79 2.309 7.673 0.886 587 HD13 ILE 79 2HD1 ILE 79 1.099 8.097 -0.325 588 H LYS 80 H LYS 80 1.579 2.065 -2.517 589 HA LYS 80 HA LYS 80 -1.269 1.675 -3.136 590 HB2 LYS 80 1HB LYS 80 -0.320 -0.367 -4.514 591 HB3 LYS 80 2HB LYS 80 -0.459 1.230 -5.237 592 HG2 LYS 80 1HG LYS 80 2.004 1.467 -4.302 593 HG3 LYS 80 2HG LYS 80 1.957 -0.292 -4.438 594 HD2 LYS 80 1HD LYS 80 1.185 1.554 -6.690 595 HD3 LYS 80 2HD LYS 80 2.828 0.950 -6.459 596 HE2 LYS 80 1HE LYS 80 1.946 -1.360 -6.569 597 HE3 LYS 80 2HE LYS 80 0.345 -0.704 -6.906 598 HZ1 LYS 80 3HZ LYS 80 1.091 -1.082 -9.009 599 HZ2 LYS 80 1HZ LYS 80 2.714 -0.801 -8.624 600 HZ3 LYS 80 2HZ LYS 80 1.651 0.501 -8.811 601 H VAL 81 H VAL 81 -1.516 -0.969 -3.127 602 HA VAL 81 HA VAL 81 -0.087 -2.157 -0.908 603 HB VAL 81 HB VAL 81 -2.172 -0.732 -0.096 604 HG11 VAL 81 1HG1 VAL 81 -4.229 -1.755 -0.159 605 HG12 VAL 81 2HG1 VAL 81 -3.578 -2.218 -1.733 606 HG13 VAL 81 3HG1 VAL 81 -3.544 -3.363 -0.391 607 HG21 VAL 81 3HG2 VAL 81 -0.565 -2.557 1.039 608 HG22 VAL 81 1HG2 VAL 81 -1.923 -1.808 1.880 609 HG23 VAL 81 2HG2 VAL 81 -2.105 -3.407 1.158 610 H ARG 82 H ARG 82 -0.765 -4.423 -0.532 611 HA ARG 82 HA ARG 82 -2.391 -5.708 -2.528 612 HB2 ARG 82 1HB ARG 82 -0.644 -7.090 -3.494 613 HB3 ARG 82 2HB ARG 82 -0.271 -5.391 -3.751 614 HG2 ARG 82 1HG ARG 82 1.358 -5.428 -1.982 615 HG3 ARG 82 2HG ARG 82 0.915 -7.085 -1.564 616 HD2 ARG 82 1HD ARG 82 1.752 -7.906 -3.647 617 HD3 ARG 82 2HD ARG 82 1.988 -6.269 -4.258 618 HE ARG 82 HE ARG 82 3.482 -6.932 -1.869 619 HH11 ARG 82 1HH1 ARG 82 3.454 -6.776 -5.347 620 HH12 ARG 82 2HH1 ARG 82 5.180 -6.733 -5.489 621 HH21 ARG 82 1HH2 ARG 82 5.756 -6.877 -2.044 622 HH22 ARG 82 2HH2 ARG 82 6.488 -6.792 -3.610 623 H ALA 83 H ALA 83 -3.248 -7.538 -1.736 624 HA ALA 83 HA ALA 83 -2.633 -8.309 0.957 625 HB1 ALA 83 3HB ALA 83 -4.593 -9.469 0.928 626 HB2 ALA 83 1HB ALA 83 -4.908 -8.351 -0.400 627 HB3 ALA 83 2HB ALA 83 -4.384 -10.001 -0.741 628 H TRP 84 H TRP 84 -1.765 -10.239 1.690 629 HA TRP 84 HA TRP 84 -0.374 -11.854 -0.346 630 HB2 TRP 84 1HB TRP 84 0.528 -10.972 2.393 631 HB3 TRP 84 2HB TRP 84 1.286 -12.319 1.548 632 HD1 TRP 84 HD TRP 84 0.490 -8.590 0.772 633 HE1 TRP 84 1HE TRP 84 2.472 -7.626 -0.557 634 HE3 TRP 84 3HE TRP 84 3.358 -12.808 0.418 635 HZ2 TRP 84 2HZ TRP 84 4.927 -8.533 -1.616 636 HZ3 TRP 84 3HZ TRP 84 5.509 -12.675 -0.769 637 HH2 TRP 84 HH TRP 84 6.275 -10.581 -1.765 638 H THR 85 H THR 85 -0.518 -14.042 -0.223 639 HA THR 85 HA THR 85 -2.215 -15.130 1.928 640 HB THR 85 HB THR 85 -2.762 -16.963 0.276 641 HG1 THR 85 1HG THR 85 -0.935 -16.336 -1.142 642 HG21 THR 85 3HG2 THR 85 -3.750 -14.268 0.423 643 HG22 THR 85 1HG2 THR 85 -4.638 -15.766 0.150 644 HG23 THR 85 2HG2 THR 85 -3.940 -14.894 -1.215 645 H SER 86 H SER 86 -1.751 -17.259 2.687 646 HA SER 86 HA SER 86 0.748 -17.808 3.505 647 HB2 SER 86 1HB SER 86 0.104 -20.127 3.811 648 HB3 SER 86 2HB SER 86 -1.290 -19.099 4.143 649 HG SER 86 HG SER 86 -0.806 -20.348 1.643 650 H LYS 87 H LYS 87 -0.470 -18.285 0.294 651 HA LYS 87 HA LYS 87 1.619 -20.010 -0.611 652 HB2 LYS 87 1HB LYS 87 -0.435 -18.324 -2.032 653 HB3 LYS 87 2HB LYS 87 0.774 -19.256 -2.906 654 HG2 LYS 87 1HG LYS 87 -0.913 -20.768 -2.905 655 HG3 LYS 87 2HG LYS 87 -0.158 -21.203 -1.370 656 HD2 LYS 87 1HD LYS 87 -1.784 -19.990 -0.131 657 HD3 LYS 87 2HD LYS 87 -2.416 -19.221 -1.589 658 HE2 LYS 87 1HE LYS 87 -3.267 -21.334 -2.384 659 HE3 LYS 87 2HE LYS 87 -2.522 -22.183 -1.031 660 HZ1 LYS 87 3HZ LYS 87 -4.940 -21.744 -0.772 661 HZ2 LYS 87 1HZ LYS 87 -4.598 -20.088 -0.711 662 HZ3 LYS 87 2HZ LYS 87 -3.992 -21.121 0.483 663 H GLY 88 H GLY 88 0.895 -16.630 -1.521 664 HA2 GLY 88 1HA GLY 88 3.592 -15.780 -1.100 665 HA3 GLY 88 2HA GLY 88 3.256 -16.042 -2.805 666 H SER 89 H SER 89 2.786 -14.230 -3.835 667 HA SER 89 HA SER 89 1.144 -12.216 -2.449 668 HB2 SER 89 1HB SER 89 3.416 -11.375 -2.517 669 HB3 SER 89 2HB SER 89 3.534 -11.729 -4.241 670 HG SER 89 HG SER 89 1.603 -9.960 -3.165 671 H GLY 90 H GLY 90 0.043 -10.702 -3.970 672 HA2 GLY 90 1HA GLY 90 -0.668 -12.093 -6.480 673 HA3 GLY 90 2HA GLY 90 -1.863 -11.301 -5.464 674 HA PRO 91 HA PRO 91 -0.999 -8.178 -8.637 675 HB2 PRO 91 1HB PRO 91 -3.384 -6.916 -8.339 676 HB3 PRO 91 2HB PRO 91 -3.184 -8.372 -9.321 677 HG2 PRO 91 1HG PRO 91 -4.220 -8.100 -6.525 678 HG3 PRO 91 2HG PRO 91 -4.839 -9.095 -7.856 679 HD2 PRO 91 1HD PRO 91 -3.315 -10.113 -5.863 680 HD3 PRO 91 2HD PRO 91 -3.265 -10.745 -7.521 681 H LEU 92 H LEU 92 -1.477 -5.684 -8.481 682 HA LEU 92 HA LEU 92 -0.795 -4.787 -5.758 683 HB2 LEU 92 1HB LEU 92 0.467 -4.204 -8.375 684 HB3 LEU 92 2HB LEU 92 0.344 -2.873 -7.226 685 HG LEU 92 HG LEU 92 1.570 -5.484 -6.412 686 HD11 LEU 92 1HD1 LEU 92 2.540 -4.225 -8.578 687 HD12 LEU 92 2HD1 LEU 92 3.549 -5.083 -7.414 688 HD13 LEU 92 3HD1 LEU 92 3.375 -3.331 -7.307 689 HD21 LEU 92 3HD2 LEU 92 2.922 -3.442 -5.214 690 HD22 LEU 92 1HD2 LEU 92 1.561 -4.310 -4.504 691 HD23 LEU 92 2HD2 LEU 92 1.293 -2.776 -5.333 692 H SER 93 H SER 93 -2.283 -3.493 -4.931 693 HA SER 93 HA SER 93 -4.522 -2.541 -6.257 694 HB2 SER 93 1HB SER 93 -5.088 -1.463 -4.277 695 HB3 SER 93 2HB SER 93 -3.955 -2.686 -3.700 696 HG SER 93 HG SER 93 -3.320 0.017 -4.298 697 HA PRO 94 HA PRO 94 -3.314 1.033 -8.499 698 HB2 PRO 94 1HB PRO 94 -5.514 2.600 -8.232 699 HB3 PRO 94 2HB PRO 94 -5.483 1.153 -9.247 700 HG2 PRO 94 1HG PRO 94 -6.558 1.500 -6.474 701 HG3 PRO 94 2HG PRO 94 -7.265 0.629 -7.848 702 HD2 PRO 94 1HD PRO 94 -5.954 -0.632 -5.842 703 HD3 PRO 94 2HD PRO 94 -5.939 -1.227 -7.515 704 H SER 95 H SER 95 -1.764 2.340 -7.752 705 HA SER 95 HA SER 95 -1.416 3.356 -5.242 706 HB2 SER 95 1HB SER 95 -0.274 5.346 -6.638 707 HB3 SER 95 2HB SER 95 0.451 3.745 -6.504 708 HG SER 95 HG SER 95 0.017 3.365 -8.543 709 H ILE 96 H ILE 96 -1.820 5.345 -4.218 710 HA ILE 96 HA ILE 96 -4.251 6.684 -5.183 711 HB ILE 96 HB ILE 96 -4.267 7.616 -2.786 712 HG12 ILE 96 1HG1 ILE 96 -2.476 5.223 -2.329 713 HG13 ILE 96 2HG1 ILE 96 -1.905 6.888 -2.324 714 HG21 ILE 96 1HG2 ILE 96 -5.952 6.175 -2.701 715 HG22 ILE 96 2HG2 ILE 96 -5.181 5.153 -3.912 716 HG23 ILE 96 3HG2 ILE 96 -4.820 4.919 -2.202 717 HD11 ILE 96 3HD1 ILE 96 -3.515 5.423 -0.322 718 HD12 ILE 96 1HD1 ILE 96 -2.218 6.597 -0.102 719 HD13 ILE 96 2HD1 ILE 96 -3.839 7.144 -0.534 720 H GLN 97 H GLN 97 -0.907 7.187 -4.422 721 HA GLN 97 HA GLN 97 0.485 8.961 -4.717 722 HB2 GLN 97 1HB GLN 97 -1.809 9.611 -6.487 723 HB3 GLN 97 2HB GLN 97 -0.696 10.919 -6.112 724 HG2 GLN 97 1HG GLN 97 1.001 10.008 -7.300 725 HG3 GLN 97 2HG GLN 97 0.494 8.352 -6.967 726 HE21 GLN 97 1HE2 GLN 97 -0.059 7.324 -8.735 727 HE22 GLN 97 2HE2 GLN 97 -0.886 7.995 -10.096 728 H SER 98 H SER 98 -0.615 8.886 -2.289 729 HA SER 98 HA SER 98 -2.050 11.222 -1.544 730 HB2 SER 98 1HB SER 98 -1.969 9.063 -0.239 731 HB3 SER 98 2HB SER 98 -0.335 9.501 0.257 732 HG SER 98 HG SER 98 -1.187 11.352 1.243 733 H ARG 99 H ARG 99 -1.156 13.152 -1.979 734 HA ARG 99 HA ARG 99 1.662 13.641 -1.723 735 HB2 ARG 99 1HB ARG 99 0.401 14.806 -3.435 736 HB3 ARG 99 2HB ARG 99 -0.661 15.508 -2.221 737 HG2 ARG 99 1HG ARG 99 1.113 16.853 -1.350 738 HG3 ARG 99 2HG ARG 99 2.296 16.039 -2.376 739 HD2 ARG 99 1HD ARG 99 0.733 16.863 -4.308 740 HD3 ARG 99 2HD ARG 99 0.198 18.034 -3.103 741 HE ARG 99 HE ARG 99 2.847 18.317 -2.971 742 HH11 ARG 99 1HH1 ARG 99 0.697 18.151 -5.704 743 HH12 ARG 99 2HH1 ARG 99 1.685 19.160 -6.708 744 HH21 ARG 99 1HH2 ARG 99 4.156 19.647 -4.283 745 HH22 ARG 99 2HH2 ARG 99 3.653 20.010 -5.899 746 H THR 100 H THR 100 2.616 13.881 0.180 747 HA THR 100 HA THR 100 1.524 14.140 2.651 748 HB THR 100 HB THR 100 3.637 15.098 3.440 749 HG1 THR 100 1HG THR 100 4.168 15.439 0.659 750 HG21 THR 100 3HG2 THR 100 4.151 13.074 1.260 751 HG22 THR 100 1HG2 THR 100 3.478 12.680 2.841 752 HG23 THR 100 2HG2 THR 100 5.110 13.338 2.717 753 H MET 101 H MET 101 1.304 15.911 4.152 754 HA MET 101 HA MET 101 -0.137 18.095 3.063 755 HB2 MET 101 1HB MET 101 -0.668 18.634 5.229 756 HB3 MET 101 2HB MET 101 -0.216 16.947 5.440 757 HG2 MET 101 1HG MET 101 1.956 17.571 6.243 758 HG3 MET 101 2HG MET 101 1.643 19.268 5.885 759 HE1 MET 101 3HE MET 101 -0.913 16.987 8.939 760 HE2 MET 101 1HE MET 101 -1.566 17.486 7.379 761 HE3 MET 101 2HE MET 101 -0.235 16.332 7.448 762 HA PRO 102 HA PRO 102 3.155 20.894 2.175 763 HB2 PRO 102 1HB PRO 102 1.703 23.186 2.086 764 HB3 PRO 102 2HB PRO 102 1.658 21.970 0.804 765 HG2 PRO 102 1HG PRO 102 -0.269 22.428 3.049 766 HG3 PRO 102 2HG PRO 102 -0.602 22.074 1.343 767 HD2 PRO 102 1HD PRO 102 -0.728 20.181 3.275 768 HD3 PRO 102 2HD PRO 102 -0.234 19.815 1.610 769 H VAL 103 H VAL 103 4.394 20.841 4.060 770 HA VAL 103 HA VAL 103 3.805 21.754 6.571 771 HB VAL 103 HB VAL 103 5.917 20.639 6.012 772 HG11 VAL 103 1HG1 VAL 103 6.193 22.920 4.243 773 HG12 VAL 103 2HG1 VAL 103 7.628 22.674 5.241 774 HG13 VAL 103 3HG1 VAL 103 7.026 21.366 4.221 775 HG21 VAL 103 3HG2 VAL 103 6.780 21.455 7.895 776 HG22 VAL 103 1HG2 VAL 103 7.110 23.013 7.138 777 HG23 VAL 103 2HG2 VAL 103 5.529 22.697 7.854 Start of MODEL 9 1 H1 GLY 1 H GLY 1 7.653 -21.906 -19.746 2 HA2 GLY 1 1HA GLY 1 7.895 -24.532 -19.730 3 HA3 GLY 1 2HA GLY 1 9.064 -23.554 -18.856 4 H SER 2 H SER 2 7.520 -22.698 -16.715 5 HA SER 2 HA SER 2 6.952 -25.247 -15.348 6 HB2 SER 2 1HB SER 2 8.911 -24.335 -14.355 7 HB3 SER 2 2HB SER 2 8.227 -22.710 -14.322 8 HG SER 2 HG SER 2 7.324 -23.164 -12.486 9 H SER 3 H SER 3 4.738 -25.121 -15.955 10 HA SER 3 HA SER 3 3.071 -22.917 -15.423 11 HB2 SER 3 1HB SER 3 2.275 -24.575 -16.941 12 HB3 SER 3 2HB SER 3 2.486 -25.862 -15.754 13 HG SER 3 HG SER 3 0.738 -23.697 -15.280 14 H GLY 4 H GLY 4 2.378 -22.107 -13.562 15 HA2 GLY 4 1HA GLY 4 1.264 -23.468 -11.443 16 HA3 GLY 4 2HA GLY 4 2.979 -23.369 -11.070 17 H SER 5 H SER 5 -0.006 -21.766 -10.992 18 HA SER 5 HA SER 5 1.327 -19.256 -10.210 19 HB2 SER 5 1HB SER 5 -1.385 -19.640 -11.498 20 HB3 SER 5 2HB SER 5 -0.777 -18.100 -10.891 21 HG SER 5 HG SER 5 0.142 -19.636 -13.070 22 H SER 6 H SER 6 0.892 -18.439 -8.244 23 HA SER 6 HA SER 6 -1.402 -19.453 -6.739 24 HB2 SER 6 1HB SER 6 -0.120 -20.096 -4.837 25 HB3 SER 6 2HB SER 6 0.668 -20.842 -6.227 26 HG SER 6 HG SER 6 2.148 -19.069 -6.202 27 H GLY 7 H GLY 7 -2.124 -18.081 -5.084 28 HA2 GLY 7 1HA GLY 7 -1.479 -16.092 -3.679 29 HA3 GLY 7 2HA GLY 7 -0.959 -15.369 -5.194 30 HA PRO 8 HA PRO 8 -5.509 -14.455 -4.194 31 HB2 PRO 8 1HB PRO 8 -5.227 -11.830 -3.564 32 HB3 PRO 8 2HB PRO 8 -5.134 -13.121 -2.361 33 HG2 PRO 8 1HG PRO 8 -2.919 -11.641 -3.728 34 HG3 PRO 8 2HG PRO 8 -3.072 -12.101 -2.022 35 HD2 PRO 8 1HD PRO 8 -1.547 -13.492 -3.775 36 HD3 PRO 8 2HD PRO 8 -2.384 -14.266 -2.413 37 H SER 9 H SER 9 -6.875 -13.465 -5.649 38 HA SER 9 HA SER 9 -5.576 -12.087 -7.908 39 HB2 SER 9 1HB SER 9 -7.305 -13.028 -9.363 40 HB3 SER 9 2HB SER 9 -6.454 -14.317 -8.512 41 HG SER 9 HG SER 9 -8.206 -14.743 -7.361 42 H GLY 10 H GLY 10 -6.873 -11.076 -5.365 43 HA2 GLY 10 1HA GLY 10 -8.541 -9.068 -6.695 44 HA3 GLY 10 2HA GLY 10 -9.245 -9.956 -5.352 45 H PHE 11 H PHE 11 -7.566 -7.214 -6.222 46 HA PHE 11 HA PHE 11 -5.978 -6.852 -3.878 47 HB2 PHE 11 1HB PHE 11 -5.941 -4.428 -4.686 48 HB3 PHE 11 2HB PHE 11 -5.277 -5.637 -5.780 49 HD1 PHE 11 2HD PHE 11 -6.584 -6.362 -7.754 50 HD2 PHE 11 1HD PHE 11 -7.836 -3.139 -5.271 51 HE1 PHE 11 2HE PHE 11 -8.102 -5.589 -9.529 52 HE2 PHE 11 1HE PHE 11 -9.358 -2.362 -7.042 53 HZ PHE 11 HZ PHE 11 -9.491 -3.587 -9.175 54 HA PRO 12 HA PRO 12 -8.901 -5.317 -0.988 55 HB2 PRO 12 1HB PRO 12 -7.449 -3.425 0.310 56 HB3 PRO 12 2HB PRO 12 -7.168 -5.158 0.513 57 HG2 PRO 12 1HG PRO 12 -5.697 -3.188 -1.193 58 HG3 PRO 12 2HG PRO 12 -5.050 -4.481 -0.167 59 HD2 PRO 12 1HD PRO 12 -5.296 -4.737 -2.851 60 HD3 PRO 12 2HD PRO 12 -5.470 -6.112 -1.741 61 H GLN 13 H GLN 13 -9.877 -3.232 -0.128 62 HA GLN 13 HA GLN 13 -9.930 -1.155 -2.212 63 HB2 GLN 13 1HB GLN 13 -12.418 -1.786 -0.688 64 HB3 GLN 13 2HB GLN 13 -12.235 -1.107 -2.300 65 HG2 GLN 13 1HG GLN 13 -11.478 -3.943 -1.714 66 HG3 GLN 13 2HG GLN 13 -13.143 -3.488 -2.074 67 HE21 GLN 13 1HE2 GLN 13 -12.560 -5.101 -3.830 68 HE22 GLN 13 2HE2 GLN 13 -11.947 -4.438 -5.303 69 H ASN 14 H ASN 14 -11.458 0.730 -1.183 70 HA ASN 14 HA ASN 14 -11.468 2.493 0.254 71 HB2 ASN 14 1HB ASN 14 -11.391 0.110 2.036 72 HB3 ASN 14 2HB ASN 14 -11.079 1.680 2.772 73 HD21 ASN 14 1HD2 ASN 14 -13.283 0.523 0.241 74 HD22 ASN 14 2HD2 ASN 14 -14.717 1.163 0.962 75 H LEU 15 H LEU 15 -8.931 1.596 -0.953 76 HA LEU 15 HA LEU 15 -6.870 2.064 0.991 77 HB2 LEU 15 1HB LEU 15 -6.620 0.628 -1.041 78 HB3 LEU 15 2HB LEU 15 -6.647 2.098 -2.013 79 HG LEU 15 HG LEU 15 -4.585 2.852 -0.946 80 HD11 LEU 15 1HD1 LEU 15 -4.768 1.905 1.232 81 HD12 LEU 15 2HD1 LEU 15 -3.330 1.220 0.474 82 HD13 LEU 15 3HD1 LEU 15 -4.810 0.266 0.581 83 HD21 LEU 15 3HD2 LEU 15 -3.947 0.065 -1.747 84 HD22 LEU 15 1HD2 LEU 15 -3.212 1.586 -2.252 85 HD23 LEU 15 2HD2 LEU 15 -4.770 1.095 -2.919 86 H HIS 16 H HIS 16 -6.779 4.043 1.868 87 HA HIS 16 HA HIS 16 -6.193 6.286 0.129 88 HB2 HIS 16 1HB HIS 16 -7.895 7.718 1.399 89 HB3 HIS 16 2HB HIS 16 -8.526 6.623 0.173 90 HD1 HIS 16 1HD HIS 16 -10.346 5.100 0.905 91 HD2 HIS 16 2HD HIS 16 -8.194 6.618 4.118 92 HE1 HIS 16 1HE HIS 16 -11.556 4.303 2.961 93 HE2 HIS 16 2HE HIS 16 -10.284 5.305 4.890 94 H VAL 17 H VAL 17 -6.084 8.350 1.767 95 HA VAL 17 HA VAL 17 -4.295 7.455 3.928 96 HB VAL 17 HB VAL 17 -4.312 9.992 2.301 97 HG11 VAL 17 1HG1 VAL 17 -2.589 9.400 4.704 98 HG12 VAL 17 2HG1 VAL 17 -2.552 10.854 3.704 99 HG13 VAL 17 3HG1 VAL 17 -3.965 10.503 4.700 100 HG21 VAL 17 3HG2 VAL 17 -3.117 8.350 1.149 101 HG22 VAL 17 1HG2 VAL 17 -1.871 9.238 2.025 102 HG23 VAL 17 2HG2 VAL 17 -2.431 7.679 2.628 103 H THR 18 H THR 18 -5.090 7.637 5.906 104 HA THR 18 HA THR 18 -7.452 9.130 6.485 105 HB THR 18 HB THR 18 -6.829 7.022 7.667 106 HG1 THR 18 1HG THR 18 -8.126 8.983 8.565 107 HG21 THR 18 3HG2 THR 18 -4.425 8.453 8.158 108 HG22 THR 18 1HG2 THR 18 -4.830 6.801 8.622 109 HG23 THR 18 2HG2 THR 18 -5.196 8.138 9.713 110 H GLY 19 H GLY 19 -4.056 9.790 6.638 111 HA2 GLY 19 1HA GLY 19 -4.405 12.549 7.015 112 HA3 GLY 19 2HA GLY 19 -4.037 11.828 8.575 113 H LEU 20 H LEU 20 -2.815 12.680 5.445 114 HA LEU 20 HA LEU 20 -0.309 11.386 5.608 115 HB2 LEU 20 1HB LEU 20 0.384 13.079 3.899 116 HB3 LEU 20 2HB LEU 20 -1.041 12.129 3.487 117 HG LEU 20 HG LEU 20 -0.979 14.689 3.001 118 HD11 LEU 20 1HD1 LEU 20 -3.164 14.448 2.629 119 HD12 LEU 20 2HD1 LEU 20 -3.510 14.133 4.329 120 HD13 LEU 20 3HD1 LEU 20 -2.971 12.821 3.282 121 HD21 LEU 20 3HD2 LEU 20 -0.328 15.270 5.331 122 HD22 LEU 20 1HD2 LEU 20 -1.910 14.704 5.868 123 HD23 LEU 20 2HD2 LEU 20 -1.792 16.083 4.774 124 H THR 21 H THR 21 1.783 12.733 5.589 125 HA THR 21 HA THR 21 1.721 14.950 7.489 126 HB THR 21 HB THR 21 3.770 12.840 7.998 127 HG1 THR 21 1HG THR 21 1.262 12.725 9.302 128 HG21 THR 21 3HG2 THR 21 2.881 13.773 10.395 129 HG22 THR 21 1HG2 THR 21 2.602 15.171 9.357 130 HG23 THR 21 2HG2 THR 21 4.218 14.475 9.484 131 H THR 22 H THR 22 3.610 16.248 7.471 132 HA THR 22 HA THR 22 4.703 16.912 5.094 133 HB THR 22 HB THR 22 6.588 17.937 6.269 134 HG1 THR 22 1HG THR 22 5.668 16.385 8.478 135 HG21 THR 22 3HG2 THR 22 4.579 19.190 6.405 136 HG22 THR 22 1HG2 THR 22 5.259 19.184 8.031 137 HG23 THR 22 2HG2 THR 22 3.910 18.120 7.636 138 H SER 23 H SER 23 6.229 14.673 7.412 139 HA SER 23 HA SER 23 8.002 13.749 5.261 140 HB2 SER 23 1HB SER 23 8.189 13.465 8.267 141 HB3 SER 23 2HB SER 23 9.298 12.686 7.138 142 HG SER 23 HG SER 23 8.899 15.420 6.827 143 H THR 24 H THR 24 5.773 12.591 7.751 144 HA THR 24 HA THR 24 5.863 9.900 6.597 145 HB THR 24 HB THR 24 4.722 9.127 8.562 146 HG1 THR 24 1HG THR 24 4.100 10.699 10.189 147 HG21 THR 24 3HG2 THR 24 6.839 11.148 9.306 148 HG22 THR 24 1HG2 THR 24 7.113 9.471 8.837 149 HG23 THR 24 2HG2 THR 24 6.274 9.840 10.344 150 H THR 25 H THR 25 3.611 8.769 6.697 151 HA THR 25 HA THR 25 1.369 10.465 6.037 152 HB THR 25 HB THR 25 2.854 8.947 3.936 153 HG1 THR 25 1HG THR 25 1.761 10.886 2.806 154 HG21 THR 25 3HG2 THR 25 0.790 8.936 2.541 155 HG22 THR 25 1HG2 THR 25 -0.136 9.361 3.980 156 HG23 THR 25 2HG2 THR 25 0.723 7.823 3.907 157 H GLU 26 H GLU 26 -0.243 9.552 7.115 158 HA GLU 26 HA GLU 26 -0.208 6.821 7.931 159 HB2 GLU 26 1HB GLU 26 -2.094 9.113 8.221 160 HB3 GLU 26 2HB GLU 26 -2.711 7.491 8.504 161 HG2 GLU 26 1HG GLU 26 -0.548 7.327 10.016 162 HG3 GLU 26 2HG GLU 26 -0.749 9.077 10.060 163 H LEU 27 H LEU 27 -1.960 5.278 7.484 164 HA LEU 27 HA LEU 27 -3.300 5.619 4.913 165 HB2 LEU 27 1HB LEU 27 -1.550 3.248 5.550 166 HB3 LEU 27 2HB LEU 27 -2.538 3.449 4.104 167 HG LEU 27 HG LEU 27 -0.127 5.101 4.857 168 HD11 LEU 27 1HD1 LEU 27 0.882 4.041 2.881 169 HD12 LEU 27 2HD1 LEU 27 -0.547 3.022 2.715 170 HD13 LEU 27 3HD1 LEU 27 0.482 2.872 4.139 171 HD21 LEU 27 3HD2 LEU 27 -2.323 5.716 3.170 172 HD22 LEU 27 1HD2 LEU 27 -0.920 5.407 2.147 173 HD23 LEU 27 2HD2 LEU 27 -0.834 6.630 3.415 174 H ALA 28 H ALA 28 -4.914 3.903 4.508 175 HA ALA 28 HA ALA 28 -5.703 2.132 6.590 176 HB1 ALA 28 3HB ALA 28 -6.637 3.776 7.856 177 HB2 ALA 28 1HB ALA 28 -6.947 4.823 6.471 178 HB3 ALA 28 2HB ALA 28 -8.000 3.443 6.787 179 H TRP 29 H TRP 29 -6.284 0.482 5.339 180 HA TRP 29 HA TRP 29 -8.256 0.978 3.215 181 HB2 TRP 29 1HB TRP 29 -7.137 -0.672 1.784 182 HB3 TRP 29 2HB TRP 29 -6.059 0.668 2.166 183 HD1 TRP 29 HD TRP 29 -6.521 -3.070 2.762 184 HE1 TRP 29 1HE TRP 29 -4.354 -4.025 3.770 185 HE3 TRP 29 3HE TRP 29 -4.025 1.309 3.613 186 HZ2 TRP 29 2HZ TRP 29 -1.910 -3.050 4.792 187 HZ3 TRP 29 3HZ TRP 29 -1.777 1.211 4.609 188 HH2 TRP 29 HH TRP 29 -0.743 -0.924 5.186 189 H ASP 30 H ASP 30 -9.039 -1.343 2.413 190 HA ASP 30 HA ASP 30 -9.625 -2.932 4.825 191 HB2 ASP 30 1HB ASP 30 -11.870 -3.182 4.199 192 HB3 ASP 30 2HB ASP 30 -11.528 -1.491 3.844 193 HA PRO 31 HA PRO 31 -8.209 -6.492 2.686 194 HB2 PRO 31 1HB PRO 31 -9.821 -8.411 3.730 195 HB3 PRO 31 2HB PRO 31 -8.518 -7.647 4.648 196 HG2 PRO 31 1HG PRO 31 -11.454 -7.063 4.682 197 HG3 PRO 31 2HG PRO 31 -10.321 -7.184 6.041 198 HD2 PRO 31 1HD PRO 31 -11.125 -4.808 5.021 199 HD3 PRO 31 2HD PRO 31 -9.510 -5.050 5.718 200 HA PRO 32 HA PRO 32 -10.683 -7.471 -0.815 201 HB2 PRO 32 1HB PRO 32 -10.111 -10.090 -1.244 202 HB3 PRO 32 2HB PRO 32 -8.956 -8.789 -1.561 203 HG2 PRO 32 1HG PRO 32 -9.153 -10.613 0.805 204 HG3 PRO 32 2HG PRO 32 -7.712 -10.086 -0.084 205 HD2 PRO 32 1HD PRO 32 -8.455 -8.982 2.275 206 HD3 PRO 32 2HD PRO 32 -7.631 -8.056 1.004 207 H VAL 33 H VAL 33 -12.812 -7.741 -0.973 208 HA VAL 33 HA VAL 33 -14.520 -8.713 0.909 209 HB VAL 33 HB VAL 33 -16.146 -9.157 -0.980 210 HG11 VAL 33 1HG1 VAL 33 -16.677 -6.977 -0.949 211 HG12 VAL 33 2HG1 VAL 33 -15.303 -6.826 0.149 212 HG13 VAL 33 3HG1 VAL 33 -15.102 -6.483 -1.569 213 HG21 VAL 33 3HG2 VAL 33 -15.511 -9.181 -3.129 214 HG22 VAL 33 1HG2 VAL 33 -14.428 -7.805 -2.920 215 HG23 VAL 33 2HG2 VAL 33 -13.883 -9.428 -2.498 216 H LEU 34 H LEU 34 -15.423 -10.646 1.476 217 HA LEU 34 HA LEU 34 -13.989 -12.983 1.278 218 HB2 LEU 34 1HB LEU 34 -16.150 -14.134 1.862 219 HB3 LEU 34 2HB LEU 34 -15.650 -12.830 2.938 220 HG LEU 34 HG LEU 34 -17.570 -12.205 0.748 221 HD11 LEU 34 1HD1 LEU 34 -18.359 -13.546 3.330 222 HD12 LEU 34 2HD1 LEU 34 -18.433 -14.281 1.729 223 HD13 LEU 34 3HD1 LEU 34 -19.454 -12.894 2.110 224 HD21 LEU 34 3HD2 LEU 34 -16.557 -10.990 3.155 225 HD22 LEU 34 1HD2 LEU 34 -18.318 -11.082 3.191 226 HD23 LEU 34 2HD2 LEU 34 -17.505 -10.277 1.849 227 H ALA 35 H ALA 35 -16.056 -11.554 -1.068 228 HA ALA 35 HA ALA 35 -16.703 -13.887 -2.552 229 HB1 ALA 35 3HB ALA 35 -16.884 -10.964 -2.988 230 HB2 ALA 35 1HB ALA 35 -16.905 -11.996 -4.418 231 HB3 ALA 35 2HB ALA 35 -18.115 -12.216 -3.153 232 H GLU 36 H GLU 36 -14.039 -11.580 -2.667 233 HA GLU 36 HA GLU 36 -12.779 -13.212 -4.769 234 HB2 GLU 36 1HB GLU 36 -12.524 -10.297 -4.071 235 HB3 GLU 36 2HB GLU 36 -11.302 -11.119 -5.031 236 HG2 GLU 36 1HG GLU 36 -14.217 -11.033 -5.760 237 HG3 GLU 36 2HG GLU 36 -13.022 -9.875 -6.342 238 H ARG 37 H ARG 37 -11.884 -14.748 -3.375 239 HA ARG 37 HA ARG 37 -9.394 -13.945 -2.166 240 HB2 ARG 37 1HB ARG 37 -11.516 -15.230 -0.437 241 HB3 ARG 37 2HB ARG 37 -9.874 -14.833 0.052 242 HG2 ARG 37 1HG ARG 37 -10.386 -12.441 -0.338 243 HG3 ARG 37 2HG ARG 37 -12.056 -12.895 -0.685 244 HD2 ARG 37 1HD ARG 37 -10.556 -13.025 1.903 245 HD3 ARG 37 2HD ARG 37 -12.118 -12.283 1.558 246 HE ARG 37 HE ARG 37 -12.583 -14.903 1.110 247 HH11 ARG 37 1HH1 ARG 37 -11.174 -13.160 3.773 248 HH12 ARG 37 2HH1 ARG 37 -11.700 -14.299 4.968 249 HH21 ARG 37 1HH2 ARG 37 -13.282 -16.410 2.673 250 HH22 ARG 37 2HH2 ARG 37 -12.898 -16.148 4.341 251 H ASN 38 H ASN 38 -7.916 -15.539 -2.291 252 HA ASN 38 HA ASN 38 -8.873 -18.184 -3.157 253 HB2 ASN 38 1HB ASN 38 -6.488 -16.540 -3.866 254 HB3 ASN 38 2HB ASN 38 -6.309 -18.292 -3.867 255 HD21 ASN 38 1HD2 ASN 38 -6.404 -16.157 -6.003 256 HD22 ASN 38 2HD2 ASN 38 -7.550 -16.758 -7.147 257 H GLY 39 H GLY 39 -8.928 -17.666 -0.447 258 HA2 GLY 39 1HA GLY 39 -8.121 -19.664 0.954 259 HA3 GLY 39 2HA GLY 39 -6.527 -19.009 0.608 260 H ARG 40 H ARG 40 -5.700 -17.599 2.008 261 HA ARG 40 HA ARG 40 -7.458 -15.909 3.598 262 HB2 ARG 40 1HB ARG 40 -5.523 -17.880 4.824 263 HB3 ARG 40 2HB ARG 40 -6.297 -16.572 5.708 264 HG2 ARG 40 1HG ARG 40 -8.444 -17.538 5.434 265 HG3 ARG 40 2HG ARG 40 -7.836 -18.710 4.263 266 HD2 ARG 40 1HD ARG 40 -7.170 -18.573 7.201 267 HD3 ARG 40 2HD ARG 40 -8.165 -19.789 6.400 268 HE ARG 40 HE ARG 40 -5.754 -19.919 5.122 269 HH11 ARG 40 1HH1 ARG 40 -6.816 -20.192 8.426 270 HH12 ARG 40 2HH1 ARG 40 -5.549 -21.282 8.880 271 HH21 ARG 40 1HH2 ARG 40 -4.081 -21.354 5.708 272 HH22 ARG 40 2HH2 ARG 40 -3.993 -21.942 7.334 273 H ILE 41 H ILE 41 -6.421 -14.095 4.499 274 HA ILE 41 HA ILE 41 -3.951 -13.381 3.129 275 HB ILE 41 HB ILE 41 -5.415 -11.527 4.968 276 HG12 ILE 41 1HG1 ILE 41 -7.209 -12.417 3.649 277 HG13 ILE 41 2HG1 ILE 41 -6.800 -10.840 2.983 278 HG21 ILE 41 1HG2 ILE 41 -3.680 -10.317 4.199 279 HG22 ILE 41 2HG2 ILE 41 -3.447 -11.353 2.792 280 HG23 ILE 41 3HG2 ILE 41 -4.701 -10.114 2.775 281 HD11 ILE 41 3HD1 ILE 41 -5.762 -13.426 1.862 282 HD12 ILE 41 1HD1 ILE 41 -7.240 -12.641 1.306 283 HD13 ILE 41 2HD1 ILE 41 -5.687 -11.821 1.136 284 H ILE 42 H ILE 42 -2.065 -12.753 4.148 285 HA ILE 42 HA ILE 42 -1.895 -13.416 7.016 286 HB ILE 42 HB ILE 42 0.580 -13.813 6.494 287 HG12 ILE 42 1HG1 ILE 42 -0.461 -14.237 3.693 288 HG13 ILE 42 2HG1 ILE 42 0.346 -12.752 4.186 289 HG21 ILE 42 1HG2 ILE 42 -0.578 -15.718 7.069 290 HG22 ILE 42 2HG2 ILE 42 -1.695 -15.578 5.712 291 HG23 ILE 42 3HG2 ILE 42 -0.039 -16.120 5.439 292 HD11 ILE 42 3HD1 ILE 42 1.463 -15.505 3.902 293 HD12 ILE 42 1HD1 ILE 42 2.046 -13.982 3.230 294 HD13 ILE 42 2HD1 ILE 42 2.246 -14.322 4.949 295 H SER 43 H SER 43 -0.863 -11.226 4.464 296 HA SER 43 HA SER 43 -0.669 -9.027 6.246 297 HB2 SER 43 1HB SER 43 1.533 -10.486 6.518 298 HB3 SER 43 2HB SER 43 2.005 -9.621 5.056 299 HG SER 43 HG SER 43 0.989 -7.833 6.693 300 H TYR 44 H TYR 44 0.334 -7.079 5.082 301 HA TYR 44 HA TYR 44 -0.183 -7.271 2.189 302 HB2 TYR 44 1HB TYR 44 -1.038 -5.056 4.063 303 HB3 TYR 44 2HB TYR 44 -1.175 -4.992 2.309 304 HD1 TYR 44 2HD TYR 44 -2.158 -7.219 5.148 305 HD2 TYR 44 1HD TYR 44 -3.205 -5.560 1.373 306 HE1 TYR 44 2HE TYR 44 -4.359 -8.308 5.286 307 HE2 TYR 44 1HE TYR 44 -5.409 -6.644 1.501 308 HH TYR 44 HH TYR 44 -6.376 -8.713 2.710 309 H THR 45 H THR 45 0.903 -5.688 0.878 310 HA THR 45 HA THR 45 3.368 -4.672 2.136 311 HB THR 45 HB THR 45 2.957 -5.590 -0.716 312 HG1 THR 45 1HG THR 45 3.336 -7.074 1.290 313 HG21 THR 45 3HG2 THR 45 4.521 -3.670 -0.491 314 HG22 THR 45 1HG2 THR 45 5.304 -5.145 -1.055 315 HG23 THR 45 2HG2 THR 45 5.489 -4.635 0.623 316 H VAL 46 H VAL 46 3.280 -2.541 2.384 317 HA VAL 46 HA VAL 46 1.655 -0.908 0.610 318 HB VAL 46 HB VAL 46 3.278 -0.124 3.036 319 HG11 VAL 46 1HG1 VAL 46 1.746 1.919 2.904 320 HG12 VAL 46 2HG1 VAL 46 3.077 1.824 1.749 321 HG13 VAL 46 3HG1 VAL 46 1.435 1.424 1.241 322 HG21 VAL 46 3HG2 VAL 46 0.857 -1.522 2.866 323 HG22 VAL 46 1HG2 VAL 46 1.568 -0.777 4.297 324 HG23 VAL 46 2HG2 VAL 46 0.426 0.131 3.307 325 H VAL 47 H VAL 47 2.652 -0.637 -1.321 326 HA VAL 47 HA VAL 47 5.484 0.054 -1.409 327 HB VAL 47 HB VAL 47 3.634 -0.190 -3.774 328 HG11 VAL 47 1HG1 VAL 47 6.446 0.325 -3.396 329 HG12 VAL 47 2HG1 VAL 47 6.193 -1.124 -4.371 330 HG13 VAL 47 3HG1 VAL 47 5.476 0.409 -4.866 331 HG21 VAL 47 3HG2 VAL 47 3.320 -2.312 -3.065 332 HG22 VAL 47 1HG2 VAL 47 4.923 -2.553 -3.761 333 HG23 VAL 47 2HG2 VAL 47 4.745 -2.291 -2.026 334 H PHE 48 H PHE 48 6.001 2.117 -1.119 335 HA PHE 48 HA PHE 48 4.294 4.174 -2.361 336 HB2 PHE 48 1HB PHE 48 5.023 5.704 -0.549 337 HB3 PHE 48 2HB PHE 48 4.117 4.321 0.056 338 HD1 PHE 48 2HD PHE 48 5.628 2.255 0.735 339 HD2 PHE 48 1HD PHE 48 6.950 6.297 0.540 340 HE1 PHE 48 2HE PHE 48 7.469 1.724 2.279 341 HE2 PHE 48 1HE PHE 48 8.794 5.772 2.082 342 HZ PHE 48 HZ PHE 48 9.055 3.484 2.954 343 H ARG 49 H ARG 49 5.244 5.530 -3.751 344 HA ARG 49 HA ARG 49 8.118 5.971 -3.654 345 HB2 ARG 49 1HB ARG 49 8.171 4.116 -5.097 346 HB3 ARG 49 2HB ARG 49 6.699 4.606 -5.925 347 HG2 ARG 49 1HG ARG 49 7.936 6.538 -6.870 348 HG3 ARG 49 2HG ARG 49 9.408 5.899 -6.135 349 HD2 ARG 49 1HD ARG 49 9.390 5.177 -8.398 350 HD3 ARG 49 2HD ARG 49 9.001 3.773 -7.405 351 HE ARG 49 HE ARG 49 6.967 3.671 -8.434 352 HH11 ARG 49 1HH1 ARG 49 8.302 6.852 -8.906 353 HH12 ARG 49 2HH1 ARG 49 7.044 7.363 -9.982 354 HH21 ARG 49 1HH2 ARG 49 5.305 4.332 -9.850 355 HH22 ARG 49 2HH2 ARG 49 5.339 5.928 -10.518 356 H ASP 50 H ASP 50 8.796 7.839 -4.754 357 HA ASP 50 HA ASP 50 6.750 9.847 -5.014 358 HB2 ASP 50 1HB ASP 50 9.584 10.348 -5.821 359 HB3 ASP 50 2HB ASP 50 8.459 11.403 -4.970 360 H ILE 51 H ILE 51 5.596 10.086 -6.802 361 HA ILE 51 HA ILE 51 6.218 8.921 -9.282 362 HB ILE 51 HB ILE 51 4.394 10.309 -10.201 363 HG12 ILE 51 1HG1 ILE 51 4.050 11.446 -7.432 364 HG13 ILE 51 2HG1 ILE 51 4.985 12.282 -8.667 365 HG21 ILE 51 1HG2 ILE 51 3.819 8.996 -7.549 366 HG22 ILE 51 2HG2 ILE 51 2.601 9.415 -8.753 367 HG23 ILE 51 3HG2 ILE 51 3.840 8.218 -9.132 368 HD11 ILE 51 3HD1 ILE 51 3.033 12.403 -10.094 369 HD12 ILE 51 1HD1 ILE 51 2.089 11.501 -8.908 370 HD13 ILE 51 2HD1 ILE 51 2.693 13.112 -8.515 371 H ASN 52 H ASN 52 7.598 11.569 -7.811 372 HA ASN 52 HA ASN 52 8.225 12.910 -10.343 373 HB2 ASN 52 1HB ASN 52 8.811 13.823 -7.518 374 HB3 ASN 52 2HB ASN 52 9.013 14.771 -8.989 375 HD21 ASN 52 1HD2 ASN 52 6.696 13.300 -6.826 376 HD22 ASN 52 2HD2 ASN 52 5.345 14.264 -7.308 377 H SER 53 H SER 53 9.508 10.705 -8.125 378 HA SER 53 HA SER 53 12.181 11.041 -9.305 379 HB2 SER 53 1HB SER 53 11.416 10.881 -6.429 380 HB3 SER 53 2HB SER 53 12.893 10.057 -6.928 381 HG SER 53 HG SER 53 13.185 12.288 -8.057 382 H GLN 54 H GLN 54 13.534 8.960 -8.603 383 HA GLN 54 HA GLN 54 11.884 6.663 -9.404 384 HB2 GLN 54 1HB GLN 54 13.944 5.658 -10.245 385 HB3 GLN 54 2HB GLN 54 13.691 7.245 -10.959 386 HG2 GLN 54 1HG GLN 54 15.377 7.038 -8.521 387 HG3 GLN 54 2HG GLN 54 16.043 6.502 -10.063 388 HE21 GLN 54 1HE2 GLN 54 16.789 7.977 -11.452 389 HE22 GLN 54 2HE2 GLN 54 16.664 9.688 -11.243 390 H GLN 55 H GLN 55 12.353 7.763 -6.646 391 HA GLN 55 HA GLN 55 13.917 5.700 -5.346 392 HB2 GLN 55 1HB GLN 55 14.072 7.930 -4.443 393 HB3 GLN 55 2HB GLN 55 12.326 8.026 -4.262 394 HG2 GLN 55 1HG GLN 55 13.340 7.649 -2.120 395 HG3 GLN 55 2HG GLN 55 12.420 6.222 -2.596 396 HE21 GLN 55 1HE2 GLN 55 13.487 4.323 -3.045 397 HE22 GLN 55 2HE2 GLN 55 15.157 4.076 -2.678 398 H GLU 56 H GLU 56 12.921 3.753 -5.466 399 HA GLU 56 HA GLU 56 10.078 3.525 -4.907 400 HB2 GLU 56 1HB GLU 56 11.552 2.190 -6.658 401 HB3 GLU 56 2HB GLU 56 11.833 1.140 -5.276 402 HG2 GLU 56 1HG GLU 56 9.508 0.676 -5.057 403 HG3 GLU 56 2HG GLU 56 9.095 1.906 -6.250 404 H LEU 57 H LEU 57 9.183 2.532 -3.139 405 HA LEU 57 HA LEU 57 10.897 1.350 -1.114 406 HB2 LEU 57 1HB LEU 57 9.088 3.648 -0.400 407 HB3 LEU 57 2HB LEU 57 10.208 2.793 0.660 408 HG LEU 57 HG LEU 57 11.143 4.406 -1.701 409 HD11 LEU 57 1HD1 LEU 57 11.433 6.298 -0.315 410 HD12 LEU 57 2HD1 LEU 57 10.995 5.396 1.135 411 HD13 LEU 57 3HD1 LEU 57 9.769 5.764 -0.078 412 HD21 LEU 57 3HD2 LEU 57 12.428 2.643 0.019 413 HD22 LEU 57 1HD2 LEU 57 12.847 4.244 0.630 414 HD23 LEU 57 2HD2 LEU 57 13.189 3.824 -1.048 415 H GLN 58 H GLN 58 9.771 0.082 0.410 416 HA GLN 58 HA GLN 58 6.884 -0.174 0.105 417 HB2 GLN 58 1HB GLN 58 8.793 -2.480 -0.316 418 HB3 GLN 58 2HB GLN 58 7.047 -2.632 -0.173 419 HG2 GLN 58 1HG GLN 58 6.658 -1.763 -2.246 420 HG3 GLN 58 2HG GLN 58 8.137 -0.804 -2.243 421 HE21 GLN 58 1HE2 GLN 58 8.243 -1.719 -4.450 422 HE22 GLN 58 2HE2 GLN 58 9.017 -3.249 -4.656 423 H ASN 59 H ASN 59 5.925 -1.582 1.771 424 HA ASN 59 HA ASN 59 7.609 -2.087 4.099 425 HB2 ASN 59 1HB ASN 59 5.307 -0.153 4.025 426 HB3 ASN 59 2HB ASN 59 5.747 -0.975 5.519 427 HD21 ASN 59 1HD2 ASN 59 8.395 -0.998 5.557 428 HD22 ASN 59 2HD2 ASN 59 9.043 0.603 5.522 429 H ILE 60 H ILE 60 6.211 -3.127 5.889 430 HA ILE 60 HA ILE 60 4.031 -4.731 4.772 431 HB ILE 60 HB ILE 60 6.331 -5.963 6.291 432 HG12 ILE 60 1HG1 ILE 60 5.629 -6.296 3.369 433 HG13 ILE 60 2HG1 ILE 60 6.898 -5.226 3.956 434 HG21 ILE 60 1HG2 ILE 60 3.929 -6.903 6.443 435 HG22 ILE 60 2HG2 ILE 60 4.210 -7.446 4.790 436 HG23 ILE 60 3HG2 ILE 60 5.256 -8.009 6.093 437 HD11 ILE 60 3HD1 ILE 60 6.822 -8.196 4.425 438 HD12 ILE 60 1HD1 ILE 60 7.724 -7.403 3.134 439 HD13 ILE 60 2HD1 ILE 60 8.136 -7.087 4.820 440 H THR 61 H THR 61 2.448 -5.249 6.210 441 HA THR 61 HA THR 61 2.871 -4.991 9.060 442 HB THR 61 HB THR 61 2.437 -2.671 8.531 443 HG1 THR 61 1HG THR 61 0.085 -2.750 9.547 444 HG21 THR 61 3HG2 THR 61 -0.302 -3.145 7.535 445 HG22 THR 61 1HG2 THR 61 1.004 -3.537 6.418 446 HG23 THR 61 2HG2 THR 61 0.871 -1.909 7.082 447 H THR 62 H THR 62 1.572 -6.334 10.164 448 HA THR 62 HA THR 62 -0.105 -8.149 8.776 449 HB THR 62 HB THR 62 -0.809 -8.818 11.160 450 HG1 THR 62 1HG THR 62 -0.223 -7.380 12.600 451 HG21 THR 62 3HG2 THR 62 0.987 -10.232 11.286 452 HG22 THR 62 1HG2 THR 62 2.153 -8.964 10.912 453 HG23 THR 62 2HG2 THR 62 1.176 -9.670 9.626 454 H ASP 63 H ASP 63 -0.658 -5.009 9.661 455 HA ASP 63 HA ASP 63 -3.530 -5.421 10.116 456 HB2 ASP 63 1HB ASP 63 -1.618 -3.227 10.784 457 HB3 ASP 63 2HB ASP 63 -3.312 -2.815 10.532 458 H THR 64 H THR 64 -5.025 -3.927 9.022 459 HA THR 64 HA THR 64 -4.417 -3.808 6.205 460 HB THR 64 HB THR 64 -6.806 -2.702 6.215 461 HG1 THR 64 1HG THR 64 -6.683 -2.576 8.615 462 HG21 THR 64 3HG2 THR 64 -7.135 -4.703 5.283 463 HG22 THR 64 1HG2 THR 64 -7.484 -5.322 6.896 464 HG23 THR 64 2HG2 THR 64 -5.848 -5.428 6.245 465 H ARG 65 H ARG 65 -3.210 -1.943 8.349 466 HA ARG 65 HA ARG 65 -3.551 0.500 6.763 467 HB2 ARG 65 1HB ARG 65 -3.784 1.891 8.681 468 HB3 ARG 65 2HB ARG 65 -4.955 0.591 8.856 469 HG2 ARG 65 1HG ARG 65 -3.767 -0.425 10.566 470 HG3 ARG 65 2HG ARG 65 -2.259 0.379 10.128 471 HD2 ARG 65 1HD ARG 65 -3.009 2.453 10.996 472 HD3 ARG 65 2HD ARG 65 -4.665 1.869 11.147 473 HE ARG 65 HE ARG 65 -2.956 0.280 12.723 474 HH11 ARG 65 1HH1 ARG 65 -4.341 3.472 12.608 475 HH12 ARG 65 2HH1 ARG 65 -4.318 3.685 14.327 476 HH21 ARG 65 1HH2 ARG 65 -2.920 0.549 14.988 477 HH22 ARG 65 2HH2 ARG 65 -3.509 2.023 15.680 478 H PHE 66 H PHE 66 -1.816 2.140 7.335 479 HA PHE 66 HA PHE 66 0.587 1.261 8.570 480 HB2 PHE 66 1HB PHE 66 0.580 -0.051 6.400 481 HB3 PHE 66 2HB PHE 66 0.735 1.490 5.563 482 HD1 PHE 66 1HD PHE 66 2.377 -0.698 8.063 483 HD2 PHE 66 2HD PHE 66 2.823 2.492 5.280 484 HE1 PHE 66 1HE PHE 66 4.819 -0.797 8.346 485 HE2 PHE 66 2HE PHE 66 5.265 2.398 5.558 486 HZ PHE 66 HZ PHE 66 6.267 0.751 7.092 487 H THR 67 H THR 67 2.381 2.844 8.230 488 HA THR 67 HA THR 67 1.438 5.483 7.361 489 HB THR 67 HB THR 67 2.881 5.038 9.979 490 HG1 THR 67 1HG THR 67 0.173 5.143 9.318 491 HG21 THR 67 3HG2 THR 67 3.230 7.237 9.984 492 HG22 THR 67 1HG2 THR 67 1.508 7.536 9.755 493 HG23 THR 67 2HG2 THR 67 2.560 7.329 8.356 494 H LEU 68 H LEU 68 2.789 5.957 5.747 495 HA LEU 68 HA LEU 68 5.384 4.945 5.428 496 HB2 LEU 68 1HB LEU 68 4.045 7.374 4.258 497 HB3 LEU 68 2HB LEU 68 5.637 6.806 3.759 498 HG LEU 68 HG LEU 68 4.418 5.816 2.132 499 HD11 LEU 68 1HD1 LEU 68 5.403 3.981 3.394 500 HD12 LEU 68 2HD1 LEU 68 3.868 3.499 2.673 501 HD13 LEU 68 3HD1 LEU 68 3.954 3.877 4.393 502 HD21 LEU 68 3HD2 LEU 68 2.117 5.427 2.146 503 HD22 LEU 68 1HD2 LEU 68 2.308 6.870 3.141 504 HD23 LEU 68 2HD2 LEU 68 2.053 5.301 3.905 505 H THR 69 H THR 69 7.304 6.541 5.098 506 HA THR 69 HA THR 69 7.444 8.734 6.953 507 HB THR 69 HB THR 69 9.168 7.852 8.401 508 HG1 THR 69 1HG THR 69 9.520 5.453 8.187 509 HG21 THR 69 3HG2 THR 69 6.879 5.887 8.257 510 HG22 THR 69 1HG2 THR 69 6.808 7.467 9.037 511 HG23 THR 69 2HG2 THR 69 7.889 6.222 9.663 512 H GLY 70 H GLY 70 9.739 9.623 7.043 513 HA2 GLY 70 1HA GLY 70 11.501 10.534 5.887 514 HA3 GLY 70 2HA GLY 70 11.740 8.915 5.247 515 H LEU 71 H LEU 71 9.075 11.221 4.784 516 HA LEU 71 HA LEU 71 9.586 11.062 1.887 517 HB2 LEU 71 1HB LEU 71 6.956 11.856 3.075 518 HB3 LEU 71 2HB LEU 71 7.301 11.214 1.470 519 HG LEU 71 HG LEU 71 7.572 9.565 3.973 520 HD11 LEU 71 1HD1 LEU 71 5.259 8.951 2.369 521 HD12 LEU 71 2HD1 LEU 71 5.187 10.604 2.976 522 HD13 LEU 71 3HD1 LEU 71 5.378 9.259 4.101 523 HD21 LEU 71 3HD2 LEU 71 7.041 7.813 2.074 524 HD22 LEU 71 1HD2 LEU 71 8.681 8.402 2.347 525 HD23 LEU 71 2HD2 LEU 71 7.708 9.079 1.041 526 H LYS 72 H LYS 72 8.768 13.014 0.666 527 HA LYS 72 HA LYS 72 9.745 15.414 2.022 528 HB2 LYS 72 1HB LYS 72 10.489 14.530 -0.337 529 HB3 LYS 72 2HB LYS 72 9.021 15.329 -0.883 530 HG2 LYS 72 1HG LYS 72 9.798 17.447 -0.135 531 HG3 LYS 72 2HG LYS 72 11.164 16.713 0.708 532 HD2 LYS 72 1HD LYS 72 12.131 17.517 -1.245 533 HD3 LYS 72 2HD LYS 72 11.824 15.822 -1.629 534 HE2 LYS 72 1HE LYS 72 9.705 17.812 -2.256 535 HE3 LYS 72 2HE LYS 72 11.141 17.779 -3.278 536 HZ1 LYS 72 3HZ LYS 72 9.636 16.323 -4.282 537 HZ2 LYS 72 1HZ LYS 72 9.176 15.619 -2.815 538 HZ3 LYS 72 2HZ LYS 72 10.707 15.304 -3.460 539 HA PRO 73 HA PRO 73 5.687 17.062 2.519 540 HB2 PRO 73 1HB PRO 73 6.348 19.681 2.794 541 HB3 PRO 73 2HB PRO 73 6.622 18.482 4.064 542 HG2 PRO 73 1HG PRO 73 8.551 19.598 2.065 543 HG3 PRO 73 2HG PRO 73 8.786 19.290 3.795 544 HD2 PRO 73 1HD PRO 73 9.698 17.608 1.878 545 HD3 PRO 73 2HD PRO 73 9.160 17.039 3.471 546 H ASP 74 H ASP 74 4.098 18.133 1.362 547 HA ASP 74 HA ASP 74 3.033 18.843 -0.523 548 HB2 ASP 74 1HB ASP 74 4.123 20.951 0.174 549 HB3 ASP 74 2HB ASP 74 5.519 20.543 -0.820 550 H THR 75 H THR 75 4.401 16.450 -0.865 551 HA THR 75 HA THR 75 5.052 16.613 -3.721 552 HB THR 75 HB THR 75 6.733 15.331 -1.585 553 HG1 THR 75 1HG THR 75 7.714 17.148 -2.145 554 HG21 THR 75 3HG2 THR 75 7.934 14.470 -3.835 555 HG22 THR 75 1HG2 THR 75 6.248 14.376 -4.340 556 HG23 THR 75 2HG2 THR 75 6.792 13.493 -2.913 557 H THR 76 H THR 76 3.990 15.155 -4.901 558 HA THR 76 HA THR 76 2.103 13.404 -3.735 559 HB THR 76 HB THR 76 3.164 13.382 -6.568 560 HG1 THR 76 1HG THR 76 0.741 14.565 -5.708 561 HG21 THR 76 3HG2 THR 76 1.077 11.859 -5.163 562 HG22 THR 76 1HG2 THR 76 1.958 11.476 -6.641 563 HG23 THR 76 2HG2 THR 76 0.575 12.570 -6.696 564 H TYR 77 H TYR 77 2.191 11.294 -3.210 565 HA TYR 77 HA TYR 77 4.628 9.797 -3.908 566 HB2 TYR 77 1HB TYR 77 3.357 10.226 -1.246 567 HB3 TYR 77 2HB TYR 77 4.075 8.653 -1.571 568 HD1 TYR 77 1HD TYR 77 6.481 8.419 -1.872 569 HD2 TYR 77 2HD TYR 77 4.737 12.210 -1.041 570 HE1 TYR 77 1HE TYR 77 8.703 9.313 -1.315 571 HE2 TYR 77 2HE TYR 77 6.954 13.114 -0.483 572 HH TYR 77 HH TYR 77 9.778 11.055 -0.267 573 H ASP 78 H ASP 78 3.983 8.296 -5.309 574 HA ASP 78 HA ASP 78 1.359 7.243 -5.441 575 HB2 ASP 78 1HB ASP 78 2.707 7.268 -7.429 576 HB3 ASP 78 2HB ASP 78 3.963 6.306 -6.654 577 H ILE 79 H ILE 79 0.720 6.333 -3.521 578 HA ILE 79 HA ILE 79 2.302 4.067 -2.514 579 HB ILE 79 HB ILE 79 0.046 5.471 -1.087 580 HG12 ILE 79 1HG1 ILE 79 2.897 5.875 -0.313 581 HG13 ILE 79 2HG1 ILE 79 2.288 6.767 -1.703 582 HG21 ILE 79 1HG2 ILE 79 0.551 3.179 -0.354 583 HG22 ILE 79 2HG2 ILE 79 2.223 3.655 -0.062 584 HG23 ILE 79 3HG2 ILE 79 0.923 4.374 0.889 585 HD11 ILE 79 3HD1 ILE 79 0.653 6.831 0.758 586 HD12 ILE 79 1HD1 ILE 79 2.181 7.712 0.773 587 HD13 ILE 79 2HD1 ILE 79 0.957 8.088 -0.441 588 H LYS 80 H LYS 80 1.488 2.045 -2.477 589 HA LYS 80 HA LYS 80 -1.347 1.649 -3.113 590 HB2 LYS 80 1HB LYS 80 -0.456 -0.352 -4.557 591 HB3 LYS 80 2HB LYS 80 -0.546 1.266 -5.242 592 HG2 LYS 80 1HG LYS 80 1.939 1.358 -4.265 593 HG3 LYS 80 2HG LYS 80 1.808 -0.379 -4.552 594 HD2 LYS 80 1HD LYS 80 1.418 1.840 -6.557 595 HD3 LYS 80 2HD LYS 80 2.724 0.653 -6.517 596 HE2 LYS 80 1HE LYS 80 0.964 -1.125 -6.795 597 HE3 LYS 80 2HE LYS 80 -0.193 0.171 -7.094 598 HZ1 LYS 80 3HZ LYS 80 2.295 -0.144 -8.671 599 HZ2 LYS 80 1HZ LYS 80 0.946 0.811 -9.035 600 HZ3 LYS 80 2HZ LYS 80 0.835 -0.874 -9.115 601 H VAL 81 H VAL 81 -1.624 -0.971 -3.109 602 HA VAL 81 HA VAL 81 -0.131 -2.178 -0.931 603 HB VAL 81 HB VAL 81 -2.241 -0.802 -0.097 604 HG11 VAL 81 1HG1 VAL 81 -3.820 -1.930 -1.587 605 HG12 VAL 81 2HG1 VAL 81 -3.423 -3.478 -0.838 606 HG13 VAL 81 3HG1 VAL 81 -4.218 -2.217 0.106 607 HG21 VAL 81 3HG2 VAL 81 -2.032 -1.938 1.871 608 HG22 VAL 81 1HG2 VAL 81 -2.045 -3.518 1.089 609 HG23 VAL 81 2HG2 VAL 81 -0.587 -2.527 1.050 610 H ARG 82 H ARG 82 -0.838 -4.460 -0.551 611 HA ARG 82 HA ARG 82 -2.430 -5.751 -2.556 612 HB2 ARG 82 1HB ARG 82 -0.714 -7.033 -3.630 613 HB3 ARG 82 2HB ARG 82 -0.269 -5.336 -3.751 614 HG2 ARG 82 1HG ARG 82 1.205 -5.691 -1.745 615 HG3 ARG 82 2HG ARG 82 0.891 -7.419 -1.924 616 HD2 ARG 82 1HD ARG 82 1.970 -5.711 -4.153 617 HD3 ARG 82 2HD ARG 82 3.009 -6.545 -2.999 618 HE ARG 82 HE ARG 82 1.213 -8.398 -4.089 619 HH11 ARG 82 1HH1 ARG 82 3.930 -6.443 -5.044 620 HH12 ARG 82 2HH1 ARG 82 4.448 -7.536 -6.284 621 HH21 ARG 82 1HH2 ARG 82 1.884 -9.846 -5.719 622 HH22 ARG 82 2HH2 ARG 82 3.283 -9.471 -6.667 623 H ALA 83 H ALA 83 -3.213 -7.636 -1.803 624 HA ALA 83 HA ALA 83 -2.501 -8.437 0.873 625 HB1 ALA 83 3HB ALA 83 -4.565 -9.268 0.946 626 HB2 ALA 83 1HB ALA 83 -4.811 -8.553 -0.648 627 HB3 ALA 83 2HB ALA 83 -4.306 -10.237 -0.505 628 H TRP 84 H TRP 84 -1.496 -10.296 1.515 629 HA TRP 84 HA TRP 84 -0.290 -11.924 -0.625 630 HB2 TRP 84 1HB TRP 84 0.795 -11.145 2.084 631 HB3 TRP 84 2HB TRP 84 1.516 -12.404 1.085 632 HD1 TRP 84 HD TRP 84 0.536 -8.668 0.598 633 HE1 TRP 84 1HE TRP 84 2.395 -7.545 -0.783 634 HE3 TRP 84 3HE TRP 84 3.550 -12.728 -0.158 635 HZ2 TRP 84 2HZ TRP 84 4.819 -8.283 -2.029 636 HZ3 TRP 84 3HZ TRP 84 5.620 -12.434 -1.455 637 HH2 TRP 84 HH TRP 84 6.239 -10.258 -2.371 638 H THR 85 H THR 85 -0.099 -14.170 -0.298 639 HA THR 85 HA THR 85 -1.818 -15.250 1.840 640 HB THR 85 HB THR 85 -2.255 -17.162 0.184 641 HG1 THR 85 1HG THR 85 -0.571 -15.913 -1.282 642 HG21 THR 85 3HG2 THR 85 -3.732 -15.193 -1.152 643 HG22 THR 85 1HG2 THR 85 -3.486 -14.573 0.480 644 HG23 THR 85 2HG2 THR 85 -4.241 -16.149 0.240 645 H SER 86 H SER 86 -1.374 -17.609 2.271 646 HA SER 86 HA SER 86 1.222 -17.985 3.149 647 HB2 SER 86 1HB SER 86 0.619 -20.290 3.566 648 HB3 SER 86 2HB SER 86 -0.783 -19.276 3.911 649 HG SER 86 HG SER 86 -1.102 -21.255 2.584 650 H LYS 87 H LYS 87 -0.123 -18.487 0.008 651 HA LYS 87 HA LYS 87 1.997 -20.196 -0.933 652 HB2 LYS 87 1HB LYS 87 -0.303 -18.788 -2.270 653 HB3 LYS 87 2HB LYS 87 0.928 -19.630 -3.202 654 HG2 LYS 87 1HG LYS 87 -0.585 -21.305 -3.011 655 HG3 LYS 87 2HG LYS 87 0.326 -21.590 -1.526 656 HD2 LYS 87 1HD LYS 87 -1.324 -20.585 -0.192 657 HD3 LYS 87 2HD LYS 87 -2.092 -19.809 -1.578 658 HE2 LYS 87 1HE LYS 87 -2.023 -22.775 -1.029 659 HE3 LYS 87 2HE LYS 87 -3.402 -21.711 -0.758 660 HZ1 LYS 87 3HZ LYS 87 -3.821 -22.675 -2.812 661 HZ2 LYS 87 1HZ LYS 87 -2.212 -22.564 -3.321 662 HZ3 LYS 87 2HZ LYS 87 -3.167 -21.171 -3.228 663 H GLY 88 H GLY 88 0.959 -16.889 -1.806 664 HA2 GLY 88 1HA GLY 88 3.653 -15.914 -1.774 665 HA3 GLY 88 2HA GLY 88 3.061 -16.161 -3.410 666 H SER 89 H SER 89 2.532 -14.265 -4.257 667 HA SER 89 HA SER 89 0.900 -12.429 -2.633 668 HB2 SER 89 1HB SER 89 2.042 -10.568 -3.966 669 HB3 SER 89 2HB SER 89 3.018 -11.366 -2.733 670 HG SER 89 HG SER 89 4.060 -11.089 -4.817 671 H GLY 90 H GLY 90 -0.072 -10.671 -4.202 672 HA2 GLY 90 1HA GLY 90 -1.046 -12.046 -6.627 673 HA3 GLY 90 2HA GLY 90 -2.154 -11.235 -5.531 674 HA PRO 91 HA PRO 91 -1.343 -8.116 -8.739 675 HB2 PRO 91 1HB PRO 91 -3.719 -6.847 -8.395 676 HB3 PRO 91 2HB PRO 91 -3.540 -8.297 -9.390 677 HG2 PRO 91 1HG PRO 91 -4.531 -8.041 -6.577 678 HG3 PRO 91 2HG PRO 91 -5.175 -9.024 -7.905 679 HD2 PRO 91 1HD PRO 91 -3.623 -10.062 -5.943 680 HD3 PRO 91 2HD PRO 91 -3.602 -10.682 -7.606 681 H LEU 92 H LEU 92 -1.710 -5.638 -8.581 682 HA LEU 92 HA LEU 92 -0.996 -4.762 -5.859 683 HB2 LEU 92 1HB LEU 92 0.189 -4.166 -8.505 684 HB3 LEU 92 2HB LEU 92 0.082 -2.828 -7.363 685 HG LEU 92 HG LEU 92 1.376 -5.434 -6.616 686 HD11 LEU 92 1HD1 LEU 92 3.525 -4.461 -7.229 687 HD12 LEU 92 2HD1 LEU 92 2.705 -3.051 -7.900 688 HD13 LEU 92 3HD1 LEU 92 2.482 -4.636 -8.640 689 HD21 LEU 92 3HD2 LEU 92 1.426 -2.619 -5.565 690 HD22 LEU 92 1HD2 LEU 92 2.642 -3.816 -5.119 691 HD23 LEU 92 2HD2 LEU 92 0.945 -4.096 -4.730 692 H SER 93 H SER 93 -2.419 -3.438 -4.964 693 HA SER 93 HA SER 93 -4.718 -2.489 -6.196 694 HB2 SER 93 1HB SER 93 -5.200 -1.413 -4.192 695 HB3 SER 93 2HB SER 93 -4.055 -2.647 -3.665 696 HG SER 93 HG SER 93 -3.426 0.056 -4.273 697 HA PRO 94 HA PRO 94 -3.604 1.097 -8.466 698 HB2 PRO 94 1HB PRO 94 -5.781 2.673 -8.086 699 HB3 PRO 94 2HB PRO 94 -5.805 1.232 -9.110 700 HG2 PRO 94 1HG PRO 94 -6.746 1.567 -6.288 701 HG3 PRO 94 2HG PRO 94 -7.522 0.708 -7.631 702 HD2 PRO 94 1HD PRO 94 -6.124 -0.572 -5.698 703 HD3 PRO 94 2HD PRO 94 -6.192 -1.157 -7.373 704 H SER 95 H SER 95 -2.023 2.408 -7.800 705 HA SER 95 HA SER 95 -1.616 3.423 -5.270 706 HB2 SER 95 1HB SER 95 -0.382 5.324 -6.718 707 HB3 SER 95 2HB SER 95 0.275 3.699 -6.523 708 HG SER 95 HG SER 95 0.116 3.522 -8.599 709 H ILE 96 H ILE 96 -1.937 5.455 -4.302 710 HA ILE 96 HA ILE 96 -4.304 6.869 -5.312 711 HB ILE 96 HB ILE 96 -4.285 7.877 -2.949 712 HG12 ILE 96 1HG1 ILE 96 -2.569 5.446 -2.410 713 HG13 ILE 96 2HG1 ILE 96 -1.948 7.092 -2.462 714 HG21 ILE 96 1HG2 ILE 96 -5.143 5.249 -3.891 715 HG22 ILE 96 2HG2 ILE 96 -5.027 5.373 -2.137 716 HG23 ILE 96 3HG2 ILE 96 -6.045 6.498 -3.034 717 HD11 ILE 96 3HD1 ILE 96 -3.663 5.772 -0.429 718 HD12 ILE 96 1HD1 ILE 96 -2.258 6.817 -0.220 719 HD13 ILE 96 2HD1 ILE 96 -3.814 7.512 -0.673 720 H GLN 97 H GLN 97 -0.944 7.267 -4.515 721 HA GLN 97 HA GLN 97 0.522 8.971 -4.858 722 HB2 GLN 97 1HB GLN 97 -1.707 9.628 -6.710 723 HB3 GLN 97 2HB GLN 97 -0.543 10.903 -6.373 724 HG2 GLN 97 1HG GLN 97 1.146 9.846 -7.458 725 HG3 GLN 97 2HG GLN 97 0.526 8.238 -7.091 726 HE21 GLN 97 1HE2 GLN 97 0.107 7.220 -8.910 727 HE22 GLN 97 2HE2 GLN 97 -0.690 7.885 -10.291 728 H SER 98 H SER 98 -0.679 9.045 -2.461 729 HA SER 98 HA SER 98 -2.019 11.474 -1.865 730 HB2 SER 98 1HB SER 98 -1.807 9.215 -0.506 731 HB3 SER 98 2HB SER 98 -0.428 10.038 0.221 732 HG SER 98 HG SER 98 -2.145 11.841 0.394 733 H ARG 99 H ARG 99 -1.221 13.455 -1.718 734 HA ARG 99 HA ARG 99 1.669 13.833 -1.677 735 HB2 ARG 99 1HB ARG 99 0.417 15.082 -3.343 736 HB3 ARG 99 2HB ARG 99 -0.602 15.783 -2.093 737 HG2 ARG 99 1HG ARG 99 1.241 17.031 -1.205 738 HG3 ARG 99 2HG ARG 99 2.367 16.222 -2.296 739 HD2 ARG 99 1HD ARG 99 2.024 18.175 -3.440 740 HD3 ARG 99 2HD ARG 99 0.751 17.174 -4.138 741 HE ARG 99 HE ARG 99 -0.040 18.732 -1.836 742 HH11 ARG 99 1HH1 ARG 99 0.208 18.589 -5.305 743 HH12 ARG 99 2HH1 ARG 99 -1.010 19.792 -5.572 744 HH21 ARG 99 1HH2 ARG 99 -1.645 20.317 -2.174 745 HH22 ARG 99 2HH2 ARG 99 -2.063 20.775 -3.791 746 H THR 100 H THR 100 2.640 13.984 0.227 747 HA THR 100 HA THR 100 1.547 14.214 2.709 748 HB THR 100 HB THR 100 3.741 15.206 3.458 749 HG1 THR 100 1HG THR 100 4.014 15.408 0.677 750 HG21 THR 100 3HG2 THR 100 3.848 12.796 1.642 751 HG22 THR 100 1HG2 THR 100 3.437 12.796 3.356 752 HG23 THR 100 2HG2 THR 100 5.070 13.220 2.841 753 H MET 101 H MET 101 1.696 16.036 4.288 754 HA MET 101 HA MET 101 0.230 18.273 3.310 755 HB2 MET 101 1HB MET 101 -0.082 18.850 5.515 756 HB3 MET 101 2HB MET 101 0.263 17.134 5.682 757 HG2 MET 101 1HG MET 101 2.631 17.716 6.148 758 HG3 MET 101 2HG MET 101 2.169 19.417 6.128 759 HE1 MET 101 3HE MET 101 0.287 20.407 7.762 760 HE2 MET 101 1HE MET 101 -0.821 19.062 7.490 761 HE3 MET 101 2HE MET 101 -0.385 19.526 9.134 762 HA PRO 102 HA PRO 102 3.563 20.922 2.159 763 HB2 PRO 102 1HB PRO 102 2.223 23.283 2.208 764 HB3 PRO 102 2HB PRO 102 2.007 22.082 0.929 765 HG2 PRO 102 1HG PRO 102 0.308 22.613 3.335 766 HG3 PRO 102 2HG PRO 102 -0.189 22.292 1.664 767 HD2 PRO 102 1HD PRO 102 -0.241 20.390 3.591 768 HD3 PRO 102 2HD PRO 102 0.088 20.014 1.887 769 H VAL 103 H VAL 103 4.966 20.805 3.917 770 HA VAL 103 HA VAL 103 4.682 21.665 6.480 771 HB VAL 103 HB VAL 103 6.718 20.589 5.759 772 HG11 VAL 103 1HG1 VAL 103 8.004 22.913 4.562 773 HG12 VAL 103 2HG1 VAL 103 7.967 21.234 4.022 774 HG13 VAL 103 3HG1 VAL 103 6.635 22.319 3.624 775 HG21 VAL 103 3HG2 VAL 103 8.171 22.895 6.540 776 HG22 VAL 103 1HG2 VAL 103 6.628 22.914 7.394 777 HG23 VAL 103 2HG2 VAL 103 7.693 21.514 7.528 Start of MODEL 10 1 H1 GLY 1 H GLY 1 5.983 -18.345 -7.993 2 HA2 GLY 1 1HA GLY 1 8.387 -17.002 -9.003 3 HA3 GLY 1 2HA GLY 1 7.975 -18.694 -9.241 4 H SER 2 H SER 2 8.758 -17.724 -11.456 5 HA SER 2 HA SER 2 7.348 -16.079 -13.076 6 HB2 SER 2 1HB SER 2 9.394 -17.433 -13.690 7 HB3 SER 2 2HB SER 2 8.313 -18.789 -14.008 8 HG SER 2 HG SER 2 7.219 -17.347 -15.508 9 H SER 3 H SER 3 6.645 -19.560 -12.734 10 HA SER 3 HA SER 3 3.872 -18.973 -13.548 11 HB2 SER 3 1HB SER 3 5.532 -21.435 -14.136 12 HB3 SER 3 2HB SER 3 3.806 -21.296 -14.473 13 HG SER 3 HG SER 3 4.671 -19.231 -15.612 14 H GLY 4 H GLY 4 2.306 -20.691 -12.778 15 HA2 GLY 4 1HA GLY 4 2.085 -22.516 -11.068 16 HA3 GLY 4 2HA GLY 4 3.025 -21.466 -10.018 17 H SER 5 H SER 5 0.141 -22.608 -10.110 18 HA SER 5 HA SER 5 -1.456 -20.196 -10.059 19 HB2 SER 5 1HB SER 5 -2.483 -22.205 -10.941 20 HB3 SER 5 2HB SER 5 -2.140 -23.081 -9.449 21 HG SER 5 HG SER 5 -3.675 -20.725 -9.388 22 H SER 6 H SER 6 -0.600 -18.988 -8.365 23 HA SER 6 HA SER 6 -1.491 -19.826 -5.728 24 HB2 SER 6 1HB SER 6 0.594 -19.615 -4.636 25 HB3 SER 6 2HB SER 6 0.942 -20.569 -6.077 26 HG SER 6 HG SER 6 2.338 -18.648 -5.508 27 H GLY 7 H GLY 7 -0.797 -17.933 -4.112 28 HA2 GLY 7 1HA GLY 7 -1.094 -15.737 -3.510 29 HA3 GLY 7 2HA GLY 7 -0.559 -15.313 -5.129 30 HA PRO 8 HA PRO 8 -5.269 -14.735 -4.403 31 HB2 PRO 8 1HB PRO 8 -5.325 -12.121 -3.670 32 HB3 PRO 8 2HB PRO 8 -5.232 -13.445 -2.502 33 HG2 PRO 8 1HG PRO 8 -3.044 -11.702 -3.570 34 HG3 PRO 8 2HG PRO 8 -3.333 -12.242 -1.905 35 HD2 PRO 8 1HD PRO 8 -1.494 -13.406 -3.516 36 HD3 PRO 8 2HD PRO 8 -2.391 -14.312 -2.280 37 H SER 9 H SER 9 -6.594 -13.728 -5.919 38 HA SER 9 HA SER 9 -5.164 -12.318 -8.073 39 HB2 SER 9 1HB SER 9 -7.447 -14.262 -8.093 40 HB3 SER 9 2HB SER 9 -7.284 -13.097 -9.406 41 HG SER 9 HG SER 9 -6.202 -15.207 -9.666 42 H GLY 10 H GLY 10 -5.914 -10.770 -5.965 43 HA2 GLY 10 1HA GLY 10 -7.613 -8.856 -7.215 44 HA3 GLY 10 2HA GLY 10 -8.455 -9.681 -5.912 45 H PHE 11 H PHE 11 -7.813 -6.889 -6.041 46 HA PHE 11 HA PHE 11 -5.844 -6.659 -3.865 47 HB2 PHE 11 1HB PHE 11 -5.867 -4.179 -4.567 48 HB3 PHE 11 2HB PHE 11 -5.054 -5.326 -5.627 49 HD1 PHE 11 2HD PHE 11 -6.020 -5.936 -7.774 50 HD2 PHE 11 1HD PHE 11 -7.897 -3.083 -5.234 51 HE1 PHE 11 2HE PHE 11 -7.416 -5.186 -9.655 52 HE2 PHE 11 1HE PHE 11 -9.297 -2.328 -7.112 53 HZ PHE 11 HZ PHE 11 -9.057 -3.379 -9.326 54 HA PRO 12 HA PRO 12 -8.916 -5.307 -1.039 55 HB2 PRO 12 1HB PRO 12 -7.557 -3.455 0.408 56 HB3 PRO 12 2HB PRO 12 -7.253 -5.191 0.542 57 HG2 PRO 12 1HG PRO 12 -5.746 -3.119 -1.005 58 HG3 PRO 12 2HG PRO 12 -5.121 -4.448 -0.012 59 HD2 PRO 12 1HD PRO 12 -5.246 -4.582 -2.713 60 HD3 PRO 12 2HD PRO 12 -5.441 -6.010 -1.676 61 H GLN 13 H GLN 13 -10.016 -3.319 -0.164 62 HA GLN 13 HA GLN 13 -10.043 -1.169 -2.178 63 HB2 GLN 13 1HB GLN 13 -12.510 -1.843 -0.639 64 HB3 GLN 13 2HB GLN 13 -12.350 -1.130 -2.238 65 HG2 GLN 13 1HG GLN 13 -11.592 -3.978 -1.694 66 HG3 GLN 13 2HG GLN 13 -13.246 -3.507 -2.080 67 HE21 GLN 13 1HE2 GLN 13 -12.311 -5.209 -3.771 68 HE22 GLN 13 2HE2 GLN 13 -11.791 -4.486 -5.251 69 H ASN 14 H ASN 14 -11.502 0.727 -1.146 70 HA ASN 14 HA ASN 14 -11.527 2.460 0.326 71 HB2 ASN 14 1HB ASN 14 -11.430 0.057 2.081 72 HB3 ASN 14 2HB ASN 14 -11.117 1.620 2.831 73 HD21 ASN 14 1HD2 ASN 14 -13.265 0.923 0.132 74 HD22 ASN 14 2HD2 ASN 14 -14.723 1.381 0.938 75 H LEU 15 H LEU 15 -8.995 1.561 -0.908 76 HA LEU 15 HA LEU 15 -6.919 2.013 1.022 77 HB2 LEU 15 1HB LEU 15 -6.658 0.596 -1.005 78 HB3 LEU 15 2HB LEU 15 -6.750 2.056 -1.987 79 HG LEU 15 HG LEU 15 -4.686 2.876 -0.931 80 HD11 LEU 15 1HD1 LEU 15 -3.340 1.269 0.403 81 HD12 LEU 15 2HD1 LEU 15 -4.751 0.214 0.478 82 HD13 LEU 15 3HD1 LEU 15 -4.808 1.815 1.214 83 HD21 LEU 15 3HD2 LEU 15 -3.897 1.931 -2.794 84 HD22 LEU 15 1HD2 LEU 15 -4.914 0.503 -2.605 85 HD23 LEU 15 2HD2 LEU 15 -3.373 0.606 -1.753 86 H HIS 16 H HIS 16 -6.789 3.978 1.917 87 HA HIS 16 HA HIS 16 -6.140 6.230 0.250 88 HB2 HIS 16 1HB HIS 16 -7.924 7.696 1.193 89 HB3 HIS 16 2HB HIS 16 -8.543 6.426 0.142 90 HD1 HIS 16 1HD HIS 16 -10.513 5.257 1.051 91 HD2 HIS 16 2HD HIS 16 -8.111 6.799 4.071 92 HE1 HIS 16 1HE HIS 16 -11.709 4.727 3.199 93 HE2 HIS 16 2HE HIS 16 -10.280 5.744 5.006 94 H VAL 17 H VAL 17 -6.092 8.288 1.847 95 HA VAL 17 HA VAL 17 -4.455 7.403 4.116 96 HB VAL 17 HB VAL 17 -3.226 8.857 2.698 97 HG11 VAL 17 1HG1 VAL 17 -4.491 11.322 2.666 98 HG12 VAL 17 2HG1 VAL 17 -4.372 10.185 1.322 99 HG13 VAL 17 3HG1 VAL 17 -5.790 10.167 2.370 100 HG21 VAL 17 3HG2 VAL 17 -2.632 10.639 4.171 101 HG22 VAL 17 1HG2 VAL 17 -4.216 10.603 4.944 102 HG23 VAL 17 2HG2 VAL 17 -3.095 9.260 5.168 103 H THR 18 H THR 18 -4.973 7.867 6.178 104 HA THR 18 HA THR 18 -7.530 9.227 6.640 105 HB THR 18 HB THR 18 -7.283 6.946 7.562 106 HG1 THR 18 1HG THR 18 -8.411 7.538 9.279 107 HG21 THR 18 3HG2 THR 18 -4.920 6.900 8.040 108 HG22 THR 18 1HG2 THR 18 -5.806 6.637 9.541 109 HG23 THR 18 2HG2 THR 18 -5.090 8.213 9.205 110 H GLY 19 H GLY 19 -4.274 9.892 6.703 111 HA2 GLY 19 1HA GLY 19 -4.494 12.447 7.736 112 HA3 GLY 19 2HA GLY 19 -4.077 11.421 9.100 113 H LEU 20 H LEU 20 -3.019 12.522 5.924 114 HA LEU 20 HA LEU 20 -0.466 11.302 5.999 115 HB2 LEU 20 1HB LEU 20 0.062 13.168 4.300 116 HB3 LEU 20 2HB LEU 20 -1.123 11.933 3.879 117 HG LEU 20 HG LEU 20 -2.920 13.427 4.100 118 HD11 LEU 20 1HD1 LEU 20 -2.402 15.829 4.915 119 HD12 LEU 20 2HD1 LEU 20 -0.994 15.086 5.674 120 HD13 LEU 20 3HD1 LEU 20 -2.616 14.543 6.102 121 HD21 LEU 20 3HD2 LEU 20 -1.423 13.770 2.114 122 HD22 LEU 20 1HD2 LEU 20 -0.713 15.137 2.973 123 HD23 LEU 20 2HD2 LEU 20 -2.424 15.157 2.547 124 H THR 21 H THR 21 1.558 12.795 5.809 125 HA THR 21 HA THR 21 1.487 14.970 7.762 126 HB THR 21 HB THR 21 3.623 12.864 7.989 127 HG1 THR 21 1HG THR 21 2.399 11.826 9.510 128 HG21 THR 21 3HG2 THR 21 4.448 14.428 9.360 129 HG22 THR 21 1HG2 THR 21 3.126 14.023 10.454 130 HG23 THR 21 2HG2 THR 21 2.953 15.361 9.318 131 H THR 22 H THR 22 3.295 16.393 7.648 132 HA THR 22 HA THR 22 4.136 17.106 5.135 133 HB THR 22 HB THR 22 5.963 18.388 6.227 134 HG1 THR 22 1HG THR 22 6.413 16.830 7.892 135 HG21 THR 22 3HG2 THR 22 3.168 18.464 7.304 136 HG22 THR 22 1HG2 THR 22 3.966 19.578 6.195 137 HG23 THR 22 2HG2 THR 22 4.386 19.587 7.908 138 H SER 23 H SER 23 5.762 14.965 7.435 139 HA SER 23 HA SER 23 7.765 14.337 5.375 140 HB2 SER 23 1HB SER 23 8.859 13.167 7.467 141 HB3 SER 23 2HB SER 23 8.998 14.912 7.250 142 HG SER 23 HG SER 23 6.959 13.674 8.783 143 H THR 24 H THR 24 5.506 12.876 7.668 144 HA THR 24 HA THR 24 5.881 10.276 6.352 145 HB THR 24 HB THR 24 4.893 9.240 8.265 146 HG1 THR 24 1HG THR 24 4.498 11.682 9.598 147 HG21 THR 24 3HG2 THR 24 6.799 11.433 9.081 148 HG22 THR 24 1HG2 THR 24 7.208 9.786 8.604 149 HG23 THR 24 2HG2 THR 24 6.349 10.078 10.116 150 H THR 25 H THR 25 3.719 8.937 6.462 151 HA THR 25 HA THR 25 1.364 10.522 5.852 152 HB THR 25 HB THR 25 2.844 8.942 3.779 153 HG1 THR 25 1HG THR 25 2.719 11.379 4.057 154 HG21 THR 25 3HG2 THR 25 -0.136 9.363 3.922 155 HG22 THR 25 1HG2 THR 25 0.736 7.843 3.735 156 HG23 THR 25 2HG2 THR 25 0.716 9.015 2.418 157 H GLU 26 H GLU 26 -0.387 9.537 6.626 158 HA GLU 26 HA GLU 26 -0.159 6.813 7.599 159 HB2 GLU 26 1HB GLU 26 -2.206 8.991 7.925 160 HB3 GLU 26 2HB GLU 26 -2.551 7.341 8.422 161 HG2 GLU 26 1HG GLU 26 -0.409 7.488 9.796 162 HG3 GLU 26 2HG GLU 26 -0.488 9.224 9.506 163 H LEU 27 H LEU 27 -1.904 5.245 7.214 164 HA LEU 27 HA LEU 27 -3.360 5.597 4.707 165 HB2 LEU 27 1HB LEU 27 -1.655 3.171 5.229 166 HB3 LEU 27 2HB LEU 27 -2.589 3.526 3.777 167 HG LEU 27 HG LEU 27 -0.215 5.144 4.691 168 HD11 LEU 27 1HD1 LEU 27 1.192 3.858 3.462 169 HD12 LEU 27 2HD1 LEU 27 -0.066 3.359 2.333 170 HD13 LEU 27 3HD1 LEU 27 0.035 2.610 3.926 171 HD21 LEU 27 3HD2 LEU 27 -1.290 5.046 1.911 172 HD22 LEU 27 1HD2 LEU 27 -0.403 6.330 2.733 173 HD23 LEU 27 2HD2 LEU 27 -2.101 6.048 3.116 174 H ALA 28 H ALA 28 -5.025 3.955 4.377 175 HA ALA 28 HA ALA 28 -5.698 2.153 6.498 176 HB1 ALA 28 3HB ALA 28 -7.181 4.748 6.236 177 HB2 ALA 28 1HB ALA 28 -7.942 3.310 6.918 178 HB3 ALA 28 2HB ALA 28 -6.509 3.997 7.684 179 H TRP 29 H TRP 29 -6.317 0.466 5.321 180 HA TRP 29 HA TRP 29 -8.318 0.897 3.210 181 HB2 TRP 29 1HB TRP 29 -7.222 -0.806 1.822 182 HB3 TRP 29 2HB TRP 29 -6.141 0.548 2.139 183 HD1 TRP 29 HD TRP 29 -6.579 -3.168 2.859 184 HE1 TRP 29 1HE TRP 29 -4.397 -4.082 3.873 185 HE3 TRP 29 3HE TRP 29 -4.095 1.247 3.551 186 HZ2 TRP 29 2HZ TRP 29 -1.947 -3.065 4.839 187 HZ3 TRP 29 3HZ TRP 29 -1.837 1.189 4.526 188 HH2 TRP 29 HH TRP 29 -0.787 -0.923 5.157 189 H ASP 30 H ASP 30 -9.081 -1.475 2.488 190 HA ASP 30 HA ASP 30 -9.635 -2.985 4.957 191 HB2 ASP 30 1HB ASP 30 -11.494 -1.908 2.906 192 HB3 ASP 30 2HB ASP 30 -11.845 -3.519 3.528 193 HA PRO 31 HA PRO 31 -8.440 -6.668 2.898 194 HB2 PRO 31 1HB PRO 31 -10.283 -8.468 3.754 195 HB3 PRO 31 2HB PRO 31 -9.016 -7.819 4.802 196 HG2 PRO 31 1HG PRO 31 -11.890 -7.010 4.579 197 HG3 PRO 31 2HG PRO 31 -10.900 -7.234 6.034 198 HD2 PRO 31 1HD PRO 31 -11.423 -4.791 4.990 199 HD3 PRO 31 2HD PRO 31 -9.903 -5.166 5.827 200 HA PRO 32 HA PRO 32 -10.672 -7.122 -0.874 201 HB2 PRO 32 1HB PRO 32 -9.750 -9.548 -1.671 202 HB3 PRO 32 2HB PRO 32 -8.765 -8.081 -1.724 203 HG2 PRO 32 1HG PRO 32 -8.797 -10.268 0.320 204 HG3 PRO 32 2HG PRO 32 -7.410 -9.432 -0.402 205 HD2 PRO 32 1HD PRO 32 -8.364 -8.817 2.057 206 HD3 PRO 32 2HD PRO 32 -7.628 -7.606 0.988 207 H VAL 33 H VAL 33 -12.791 -7.505 -0.953 208 HA VAL 33 HA VAL 33 -14.399 -8.984 0.588 209 HB VAL 33 HB VAL 33 -15.892 -9.358 -1.425 210 HG11 VAL 33 1HG1 VAL 33 -15.149 -6.517 -1.564 211 HG12 VAL 33 2HG1 VAL 33 -16.694 -7.271 -1.165 212 HG13 VAL 33 3HG1 VAL 33 -15.431 -7.142 0.060 213 HG21 VAL 33 3HG2 VAL 33 -13.432 -8.792 -2.775 214 HG22 VAL 33 1HG2 VAL 33 -14.979 -9.305 -3.449 215 HG23 VAL 33 2HG2 VAL 33 -14.641 -7.589 -3.222 216 H LEU 34 H LEU 34 -14.910 -11.065 0.975 217 HA LEU 34 HA LEU 34 -13.241 -13.155 0.503 218 HB2 LEU 34 1HB LEU 34 -14.904 -14.579 1.269 219 HB3 LEU 34 2HB LEU 34 -15.333 -13.022 1.973 220 HG LEU 34 HG LEU 34 -16.878 -12.856 -0.152 221 HD11 LEU 34 1HD1 LEU 34 -15.797 -15.281 -0.688 222 HD12 LEU 34 2HD1 LEU 34 -17.371 -14.739 -1.268 223 HD13 LEU 34 3HD1 LEU 34 -17.263 -15.748 0.174 224 HD21 LEU 34 3HD2 LEU 34 -18.343 -12.872 1.514 225 HD22 LEU 34 1HD2 LEU 34 -17.206 -13.740 2.546 226 HD23 LEU 34 2HD2 LEU 34 -18.309 -14.636 1.501 227 H ALA 35 H ALA 35 -15.418 -11.717 -1.741 228 HA ALA 35 HA ALA 35 -15.648 -13.909 -3.543 229 HB1 ALA 35 3HB ALA 35 -17.319 -12.293 -3.758 230 HB2 ALA 35 1HB ALA 35 -16.160 -10.964 -3.780 231 HB3 ALA 35 2HB ALA 35 -16.296 -12.038 -5.173 232 H GLU 36 H GLU 36 -13.928 -10.817 -4.020 233 HA GLU 36 HA GLU 36 -12.411 -11.617 -6.199 234 HB2 GLU 36 1HB GLU 36 -11.780 -9.587 -4.052 235 HB3 GLU 36 2HB GLU 36 -10.849 -9.766 -5.533 236 HG2 GLU 36 1HG GLU 36 -13.748 -8.993 -5.317 237 HG3 GLU 36 2HG GLU 36 -12.402 -7.942 -5.752 238 H ARG 37 H ARG 37 -11.183 -11.292 -2.862 239 HA ARG 37 HA ARG 37 -8.724 -12.397 -3.114 240 HB2 ARG 37 1HB ARG 37 -8.846 -13.057 -0.784 241 HB3 ARG 37 2HB ARG 37 -9.656 -11.512 -1.004 242 HG2 ARG 37 1HG ARG 37 -11.189 -12.541 0.310 243 HG3 ARG 37 2HG ARG 37 -11.773 -13.078 -1.267 244 HD2 ARG 37 1HD ARG 37 -11.051 -15.222 -0.957 245 HD3 ARG 37 2HD ARG 37 -9.715 -14.735 0.085 246 HE ARG 37 HE ARG 37 -11.991 -14.183 1.516 247 HH11 ARG 37 1HH1 ARG 37 -10.577 -17.003 0.043 248 HH12 ARG 37 2HH1 ARG 37 -11.257 -18.105 1.195 249 HH21 ARG 37 1HH2 ARG 37 -12.891 -15.624 3.038 250 HH22 ARG 37 2HH2 ARG 37 -12.574 -17.320 2.897 251 H ASN 38 H ASN 38 -7.806 -14.394 -3.281 252 HA ASN 38 HA ASN 38 -9.647 -16.616 -3.853 253 HB2 ASN 38 1HB ASN 38 -7.006 -15.801 -4.959 254 HB3 ASN 38 2HB ASN 38 -7.344 -17.526 -4.860 255 HD21 ASN 38 1HD2 ASN 38 -6.951 -16.285 -7.270 256 HD22 ASN 38 2HD2 ASN 38 -8.435 -16.258 -8.155 257 H GLY 39 H GLY 39 -8.462 -15.642 -1.215 258 HA2 GLY 39 1HA GLY 39 -8.291 -18.039 0.124 259 HA3 GLY 39 2HA GLY 39 -6.642 -17.676 -0.364 260 H ARG 40 H ARG 40 -6.943 -17.872 2.231 261 HA ARG 40 HA ARG 40 -7.821 -15.568 3.604 262 HB2 ARG 40 1HB ARG 40 -6.212 -17.971 4.263 263 HB3 ARG 40 2HB ARG 40 -6.002 -16.576 5.313 264 HG2 ARG 40 1HG ARG 40 -8.757 -17.507 4.664 265 HG3 ARG 40 2HG ARG 40 -7.796 -18.389 5.853 266 HD2 ARG 40 1HD ARG 40 -8.240 -15.415 5.973 267 HD3 ARG 40 2HD ARG 40 -9.301 -16.578 6.766 268 HE ARG 40 HE ARG 40 -6.733 -17.174 7.595 269 HH11 ARG 40 1HH1 ARG 40 -8.923 -14.475 7.786 270 HH12 ARG 40 2HH1 ARG 40 -8.285 -13.896 9.289 271 HH21 ARG 40 1HH2 ARG 40 -5.884 -16.422 9.574 272 HH22 ARG 40 2HH2 ARG 40 -6.556 -15.003 10.304 273 H ILE 41 H ILE 41 -6.593 -13.913 4.616 274 HA ILE 41 HA ILE 41 -4.142 -13.243 3.135 275 HB ILE 41 HB ILE 41 -5.616 -11.251 4.808 276 HG12 ILE 41 1HG1 ILE 41 -7.347 -12.314 3.430 277 HG13 ILE 41 2HG1 ILE 41 -7.030 -10.671 2.886 278 HG21 ILE 41 1HG2 ILE 41 -3.785 -10.187 4.010 279 HG22 ILE 41 2HG2 ILE 41 -3.637 -11.255 2.616 280 HG23 ILE 41 3HG2 ILE 41 -4.825 -9.952 2.605 281 HD11 ILE 41 3HD1 ILE 41 -7.322 -12.343 1.067 282 HD12 ILE 41 1HD1 ILE 41 -5.800 -11.454 1.008 283 HD13 ILE 41 2HD1 ILE 41 -5.831 -13.112 1.609 284 H ILE 42 H ILE 42 -2.244 -13.017 4.158 285 HA ILE 42 HA ILE 42 -2.222 -13.413 7.068 286 HB ILE 42 HB ILE 42 0.264 -13.871 6.654 287 HG12 ILE 42 1HG1 ILE 42 -0.747 -14.200 3.821 288 HG13 ILE 42 2HG1 ILE 42 0.297 -12.893 4.369 289 HG21 ILE 42 1HG2 ILE 42 -1.760 -15.761 5.460 290 HG22 ILE 42 2HG2 ILE 42 -0.165 -16.189 6.075 291 HG23 ILE 42 3HG2 ILE 42 -1.405 -15.595 7.179 292 HD11 ILE 42 3HD1 ILE 42 0.921 -15.787 4.008 293 HD12 ILE 42 1HD1 ILE 42 1.783 -14.369 3.411 294 HD13 ILE 42 2HD1 ILE 42 1.872 -14.801 5.119 295 H SER 43 H SER 43 -1.062 -11.306 4.505 296 HA SER 43 HA SER 43 -0.858 -9.082 6.268 297 HB2 SER 43 1HB SER 43 1.711 -10.340 5.285 298 HB3 SER 43 2HB SER 43 1.606 -8.697 5.917 299 HG SER 43 HG SER 43 1.559 -9.481 7.862 300 H TYR 44 H TYR 44 0.398 -7.225 5.029 301 HA TYR 44 HA TYR 44 -0.198 -7.416 2.158 302 HB2 TYR 44 1HB TYR 44 -1.036 -5.175 4.008 303 HB3 TYR 44 2HB TYR 44 -1.132 -5.103 2.252 304 HD1 TYR 44 2HD TYR 44 -2.244 -7.273 5.084 305 HD2 TYR 44 1HD TYR 44 -3.133 -5.668 1.245 306 HE1 TYR 44 2HE TYR 44 -4.471 -8.316 5.170 307 HE2 TYR 44 1HE TYR 44 -5.362 -6.705 1.321 308 HH TYR 44 HH TYR 44 -6.534 -8.332 4.210 309 H THR 45 H THR 45 0.786 -5.589 0.915 310 HA THR 45 HA THR 45 3.309 -4.702 2.154 311 HB THR 45 HB THR 45 2.935 -5.560 -0.723 312 HG1 THR 45 1HG THR 45 3.166 -7.122 1.259 313 HG21 THR 45 3HG2 THR 45 5.298 -5.215 -0.976 314 HG22 THR 45 1HG2 THR 45 5.474 -4.824 0.734 315 HG23 THR 45 2HG2 THR 45 4.595 -3.731 -0.335 316 H VAL 46 H VAL 46 3.250 -2.570 2.389 317 HA VAL 46 HA VAL 46 1.649 -0.930 0.593 318 HB VAL 46 HB VAL 46 3.211 -0.187 3.071 319 HG11 VAL 46 1HG1 VAL 46 3.101 1.727 1.633 320 HG12 VAL 46 2HG1 VAL 46 1.385 1.456 1.324 321 HG13 VAL 46 3HG1 VAL 46 1.927 1.943 2.930 322 HG21 VAL 46 3HG2 VAL 46 0.909 -1.606 2.962 323 HG22 VAL 46 1HG2 VAL 46 1.347 -0.530 4.290 324 HG23 VAL 46 2HG2 VAL 46 0.277 0.040 3.009 325 H VAL 47 H VAL 47 2.635 -0.536 -1.301 326 HA VAL 47 HA VAL 47 5.489 0.101 -1.342 327 HB VAL 47 HB VAL 47 3.703 -0.098 -3.755 328 HG11 VAL 47 1HG1 VAL 47 5.600 0.446 -4.779 329 HG12 VAL 47 2HG1 VAL 47 6.516 0.319 -3.276 330 HG13 VAL 47 3HG1 VAL 47 6.248 -1.113 -4.269 331 HG21 VAL 47 3HG2 VAL 47 3.293 -2.212 -3.067 332 HG22 VAL 47 1HG2 VAL 47 4.907 -2.502 -3.717 333 HG23 VAL 47 2HG2 VAL 47 4.687 -2.246 -1.986 334 H PHE 48 H PHE 48 6.024 2.159 -1.062 335 HA PHE 48 HA PHE 48 4.317 4.229 -2.283 336 HB2 PHE 48 1HB PHE 48 5.114 5.749 -0.472 337 HB3 PHE 48 2HB PHE 48 4.155 4.397 0.121 338 HD1 PHE 48 2HD PHE 48 5.580 2.273 0.797 339 HD2 PHE 48 1HD PHE 48 7.063 6.259 0.621 340 HE1 PHE 48 2HE PHE 48 7.395 1.663 2.342 341 HE2 PHE 48 1HE PHE 48 8.881 5.655 2.165 342 HZ PHE 48 HZ PHE 48 9.048 3.355 3.029 343 H ARG 49 H ARG 49 5.260 5.629 -3.644 344 HA ARG 49 HA ARG 49 8.128 6.062 -3.588 345 HB2 ARG 49 1HB ARG 49 8.136 4.158 -5.000 346 HB3 ARG 49 2HB ARG 49 6.717 4.710 -5.879 347 HG2 ARG 49 1HG ARG 49 8.169 6.675 -6.629 348 HG3 ARG 49 2HG ARG 49 9.533 5.715 -6.051 349 HD2 ARG 49 1HD ARG 49 9.186 5.375 -8.435 350 HD3 ARG 49 2HD ARG 49 8.873 3.889 -7.540 351 HE ARG 49 HE ARG 49 6.925 5.525 -8.949 352 HH11 ARG 49 1HH1 ARG 49 7.546 2.864 -6.793 353 HH12 ARG 49 2HH1 ARG 49 5.992 2.136 -7.034 354 HH21 ARG 49 1HH2 ARG 49 4.877 4.577 -9.275 355 HH22 ARG 49 2HH2 ARG 49 4.475 3.111 -8.446 356 H ASP 50 H ASP 50 8.729 8.011 -4.441 357 HA ASP 50 HA ASP 50 6.650 9.935 -4.858 358 HB2 ASP 50 1HB ASP 50 8.629 10.650 -3.702 359 HB3 ASP 50 2HB ASP 50 9.660 10.124 -5.030 360 H ILE 51 H ILE 51 5.565 10.039 -6.708 361 HA ILE 51 HA ILE 51 6.349 8.957 -9.152 362 HB ILE 51 HB ILE 51 4.572 10.328 -10.171 363 HG12 ILE 51 1HG1 ILE 51 4.108 11.500 -7.431 364 HG13 ILE 51 2HG1 ILE 51 5.069 12.326 -8.652 365 HG21 ILE 51 1HG2 ILE 51 2.709 9.424 -8.855 366 HG22 ILE 51 2HG2 ILE 51 3.995 8.238 -9.074 367 HG23 ILE 51 3HG2 ILE 51 3.821 9.076 -7.532 368 HD11 ILE 51 3HD1 ILE 51 2.807 13.168 -8.635 369 HD12 ILE 51 1HD1 ILE 51 3.132 12.329 -10.151 370 HD13 ILE 51 2HD1 ILE 51 2.175 11.542 -8.896 371 H ASN 52 H ASN 52 7.511 11.715 -7.606 372 HA ASN 52 HA ASN 52 8.295 13.046 -10.086 373 HB2 ASN 52 1HB ASN 52 8.620 13.862 -7.191 374 HB3 ASN 52 2HB ASN 52 9.156 14.825 -8.565 375 HD21 ASN 52 1HD2 ASN 52 6.294 13.278 -7.186 376 HD22 ASN 52 2HD2 ASN 52 5.169 14.466 -7.740 377 H SER 53 H SER 53 9.527 10.877 -7.762 378 HA SER 53 HA SER 53 12.258 11.290 -8.793 379 HB2 SER 53 1HB SER 53 11.261 10.776 -6.032 380 HB3 SER 53 2HB SER 53 12.786 10.025 -6.501 381 HG SER 53 HG SER 53 12.154 12.710 -6.143 382 H GLN 54 H GLN 54 13.586 9.152 -8.248 383 HA GLN 54 HA GLN 54 12.022 6.936 -9.391 384 HB2 GLN 54 1HB GLN 54 14.138 6.087 -10.290 385 HB3 GLN 54 2HB GLN 54 13.819 7.724 -10.848 386 HG2 GLN 54 1HG GLN 54 15.582 7.152 -8.489 387 HG3 GLN 54 2HG GLN 54 16.191 7.180 -10.143 388 HE21 GLN 54 1HE2 GLN 54 15.614 8.988 -7.414 389 HE22 GLN 54 2HE2 GLN 54 15.734 10.567 -8.104 390 H GLN 55 H GLN 55 12.650 7.821 -6.499 391 HA GLN 55 HA GLN 55 14.076 5.496 -5.495 392 HB2 GLN 55 1HB GLN 55 14.549 7.637 -4.456 393 HB3 GLN 55 2HB GLN 55 12.847 7.865 -4.078 394 HG2 GLN 55 1HG GLN 55 14.089 7.193 -2.111 395 HG3 GLN 55 2HG GLN 55 12.917 5.957 -2.565 396 HE21 GLN 55 1HE2 GLN 55 13.606 3.942 -2.867 397 HE22 GLN 55 2HE2 GLN 55 15.262 3.450 -2.912 398 H GLU 56 H GLU 56 12.933 3.663 -5.472 399 HA GLU 56 HA GLU 56 10.097 3.733 -4.771 400 HB2 GLU 56 1HB GLU 56 10.866 2.458 -6.774 401 HB3 GLU 56 2HB GLU 56 11.766 1.393 -5.704 402 HG2 GLU 56 1HG GLU 56 9.540 0.937 -4.556 403 HG3 GLU 56 2HG GLU 56 8.796 1.709 -5.955 404 H LEU 57 H LEU 57 9.232 2.713 -3.004 405 HA LEU 57 HA LEU 57 10.983 1.224 -1.214 406 HB2 LEU 57 1HB LEU 57 9.410 3.615 -0.270 407 HB3 LEU 57 2HB LEU 57 10.417 2.561 0.720 408 HG LEU 57 HG LEU 57 11.622 4.114 -1.538 409 HD11 LEU 57 1HD1 LEU 57 11.841 5.361 1.090 410 HD12 LEU 57 2HD1 LEU 57 10.206 5.389 0.430 411 HD13 LEU 57 3HD1 LEU 57 11.540 6.084 -0.491 412 HD21 LEU 57 3HD2 LEU 57 12.631 2.248 0.165 413 HD22 LEU 57 1HD2 LEU 57 13.022 3.745 1.012 414 HD23 LEU 57 2HD2 LEU 57 13.584 3.496 -0.641 415 H GLN 58 H GLN 58 9.860 -0.051 0.330 416 HA GLN 58 HA GLN 58 6.948 -0.153 0.091 417 HB2 GLN 58 1HB GLN 58 8.769 -2.524 -0.358 418 HB3 GLN 58 2HB GLN 58 7.023 -2.625 -0.171 419 HG2 GLN 58 1HG GLN 58 6.607 -1.741 -2.234 420 HG3 GLN 58 2HG GLN 58 8.118 -0.834 -2.273 421 HE21 GLN 58 1HE2 GLN 58 6.502 -3.523 -3.398 422 HE22 GLN 58 2HE2 GLN 58 7.848 -4.396 -4.039 423 H ASN 59 H ASN 59 5.946 -1.515 1.768 424 HA ASN 59 HA ASN 59 7.642 -2.015 4.101 425 HB2 ASN 59 1HB ASN 59 5.296 -0.140 3.984 426 HB3 ASN 59 2HB ASN 59 5.714 -0.956 5.488 427 HD21 ASN 59 1HD2 ASN 59 8.377 -0.934 5.553 428 HD22 ASN 59 2HD2 ASN 59 8.988 0.682 5.552 429 H ILE 60 H ILE 60 6.272 -3.096 5.881 430 HA ILE 60 HA ILE 60 4.143 -4.766 4.761 431 HB ILE 60 HB ILE 60 6.423 -5.962 6.331 432 HG12 ILE 60 1HG1 ILE 60 5.924 -6.204 3.359 433 HG13 ILE 60 2HG1 ILE 60 7.114 -5.116 4.065 434 HG21 ILE 60 1HG2 ILE 60 5.432 -8.035 5.955 435 HG22 ILE 60 2HG2 ILE 60 4.064 -6.983 6.313 436 HG23 ILE 60 3HG2 ILE 60 4.424 -7.423 4.644 437 HD11 ILE 60 3HD1 ILE 60 7.175 -8.044 4.661 438 HD12 ILE 60 1HD1 ILE 60 7.888 -7.397 3.183 439 HD13 ILE 60 2HD1 ILE 60 8.477 -6.857 4.756 440 H THR 61 H THR 61 2.592 -5.381 6.210 441 HA THR 61 HA THR 61 2.987 -5.128 9.052 442 HB THR 61 HB THR 61 2.558 -2.794 8.549 443 HG1 THR 61 1HG THR 61 1.301 -2.722 10.247 444 HG21 THR 61 3HG2 THR 61 0.905 -3.800 6.535 445 HG22 THR 61 1HG2 THR 61 1.155 -2.106 6.956 446 HG23 THR 61 2HG2 THR 61 -0.185 -3.004 7.669 447 H THR 62 H THR 62 1.510 -6.291 10.217 448 HA THR 62 HA THR 62 -0.138 -8.125 8.744 449 HB THR 62 HB THR 62 -0.825 -8.798 11.174 450 HG1 THR 62 1HG THR 62 -0.002 -7.012 12.265 451 HG21 THR 62 3HG2 THR 62 1.489 -9.924 11.426 452 HG22 THR 62 1HG2 THR 62 1.855 -9.165 9.877 453 HG23 THR 62 2HG2 THR 62 0.517 -10.306 10.006 454 H ASP 63 H ASP 63 -0.651 -5.022 9.467 455 HA ASP 63 HA ASP 63 -3.496 -5.382 10.125 456 HB2 ASP 63 1HB ASP 63 -1.535 -3.188 10.645 457 HB3 ASP 63 2HB ASP 63 -3.238 -2.774 10.472 458 H THR 64 H THR 64 -5.022 -3.901 9.058 459 HA THR 64 HA THR 64 -4.529 -3.853 6.216 460 HB THR 64 HB THR 64 -6.922 -2.678 6.376 461 HG1 THR 64 1HG THR 64 -7.780 -2.811 8.302 462 HG21 THR 64 3HG2 THR 64 -6.732 -4.710 5.220 463 HG22 THR 64 1HG2 THR 64 -7.886 -5.055 6.508 464 HG23 THR 64 2HG2 THR 64 -6.210 -5.583 6.660 465 H ARG 65 H ARG 65 -3.196 -1.958 8.232 466 HA ARG 65 HA ARG 65 -3.520 0.428 6.580 467 HB2 ARG 65 1HB ARG 65 -3.821 1.913 8.422 468 HB3 ARG 65 2HB ARG 65 -5.020 0.637 8.588 469 HG2 ARG 65 1HG ARG 65 -3.911 -0.341 10.386 470 HG3 ARG 65 2HG ARG 65 -2.395 0.484 10.018 471 HD2 ARG 65 1HD ARG 65 -3.301 2.589 10.723 472 HD3 ARG 65 2HD ARG 65 -4.909 1.889 10.903 473 HE ARG 65 HE ARG 65 -4.296 1.126 12.966 474 HH11 ARG 65 1HH1 ARG 65 -1.426 1.907 11.157 475 HH12 ARG 65 2HH1 ARG 65 -0.356 1.659 12.497 476 HH21 ARG 65 1HH2 ARG 65 -2.898 0.797 14.738 477 HH22 ARG 65 2HH2 ARG 65 -1.194 1.027 14.533 478 H PHE 66 H PHE 66 -1.799 2.077 7.110 479 HA PHE 66 HA PHE 66 0.550 1.211 8.488 480 HB2 PHE 66 1HB PHE 66 0.620 -0.102 6.320 481 HB3 PHE 66 2HB PHE 66 0.802 1.438 5.488 482 HD1 PHE 66 1HD PHE 66 2.375 -0.850 7.917 483 HD2 PHE 66 2HD PHE 66 2.883 2.546 5.402 484 HE1 PHE 66 1HE PHE 66 4.806 -0.947 8.284 485 HE2 PHE 66 2HE PHE 66 5.315 2.454 5.764 486 HZ PHE 66 HZ PHE 66 6.279 0.706 7.206 487 H THR 67 H THR 67 2.390 2.784 8.114 488 HA THR 67 HA THR 67 1.443 5.433 7.280 489 HB THR 67 HB THR 67 2.785 4.848 9.926 490 HG1 THR 67 1HG THR 67 0.170 5.367 9.120 491 HG21 THR 67 3HG2 THR 67 3.558 6.936 9.874 492 HG22 THR 67 1HG2 THR 67 1.896 7.517 9.791 493 HG23 THR 67 2HG2 THR 67 2.799 7.215 8.307 494 H LEU 68 H LEU 68 2.781 5.929 5.664 495 HA LEU 68 HA LEU 68 5.370 4.909 5.309 496 HB2 LEU 68 1HB LEU 68 4.033 7.358 4.177 497 HB3 LEU 68 2HB LEU 68 5.614 6.779 3.654 498 HG LEU 68 HG LEU 68 4.376 5.808 2.034 499 HD11 LEU 68 1HD1 LEU 68 5.337 3.956 3.306 500 HD12 LEU 68 2HD1 LEU 68 3.808 3.499 2.556 501 HD13 LEU 68 3HD1 LEU 68 3.870 3.861 4.281 502 HD21 LEU 68 3HD2 LEU 68 2.053 5.594 3.948 503 HD22 LEU 68 1HD2 LEU 68 2.024 5.210 2.227 504 HD23 LEU 68 2HD2 LEU 68 2.291 6.871 2.754 505 H THR 69 H THR 69 7.318 6.435 5.024 506 HA THR 69 HA THR 69 7.484 8.652 6.849 507 HB THR 69 HB THR 69 9.217 7.724 8.300 508 HG1 THR 69 1HG THR 69 9.773 6.046 6.616 509 HG21 THR 69 3HG2 THR 69 7.831 6.227 9.632 510 HG22 THR 69 1HG2 THR 69 6.758 5.969 8.257 511 HG23 THR 69 2HG2 THR 69 6.863 7.562 9.007 512 H GLY 70 H GLY 70 9.624 9.676 6.820 513 HA2 GLY 70 1HA GLY 70 11.541 10.394 5.770 514 HA3 GLY 70 2HA GLY 70 11.654 8.805 5.028 515 H LEU 71 H LEU 71 8.989 11.104 4.727 516 HA LEU 71 HA LEU 71 9.543 11.221 1.837 517 HB2 LEU 71 1HB LEU 71 6.890 11.964 2.956 518 HB3 LEU 71 2HB LEU 71 7.295 11.248 1.397 519 HG LEU 71 HG LEU 71 7.541 9.672 3.938 520 HD11 LEU 71 1HD1 LEU 71 5.193 10.788 3.387 521 HD12 LEU 71 2HD1 LEU 71 5.335 9.147 4.016 522 HD13 LEU 71 3HD1 LEU 71 5.094 9.410 2.289 523 HD21 LEU 71 3HD2 LEU 71 6.871 7.895 2.128 524 HD22 LEU 71 1HD2 LEU 71 8.535 8.464 2.260 525 HD23 LEU 71 2HD2 LEU 71 7.476 9.119 1.010 526 H LYS 72 H LYS 72 8.818 13.247 0.755 527 HA LYS 72 HA LYS 72 9.637 15.549 2.370 528 HB2 LYS 72 1HB LYS 72 10.894 15.210 0.322 529 HB3 LYS 72 2HB LYS 72 9.410 15.187 -0.623 530 HG2 LYS 72 1HG LYS 72 9.034 17.560 0.247 531 HG3 LYS 72 2HG LYS 72 10.728 17.509 0.738 532 HD2 LYS 72 1HD LYS 72 11.493 17.544 -1.408 533 HD3 LYS 72 2HD LYS 72 10.090 16.676 -2.036 534 HE2 LYS 72 1HE LYS 72 8.861 18.579 -2.301 535 HE3 LYS 72 2HE LYS 72 9.648 19.405 -0.957 536 HZ1 LYS 72 3HZ LYS 72 11.688 19.273 -2.588 537 HZ2 LYS 72 1HZ LYS 72 10.556 20.526 -2.693 538 HZ3 LYS 72 2HZ LYS 72 10.467 19.215 -3.757 539 HA PRO 73 HA PRO 73 5.528 17.127 2.562 540 HB2 PRO 73 1HB PRO 73 6.111 19.737 3.034 541 HB3 PRO 73 2HB PRO 73 6.290 18.475 4.259 542 HG2 PRO 73 1HG PRO 73 8.372 19.725 2.509 543 HG3 PRO 73 2HG PRO 73 8.453 19.327 4.235 544 HD2 PRO 73 1HD PRO 73 9.569 17.765 2.326 545 HD3 PRO 73 2HD PRO 73 8.898 17.102 3.830 546 H ASP 74 H ASP 74 4.037 18.084 1.244 547 HA ASP 74 HA ASP 74 3.128 18.995 -0.632 548 HB2 ASP 74 1HB ASP 74 4.196 21.057 0.138 549 HB3 ASP 74 2HB ASP 74 5.697 20.594 -0.661 550 H THR 75 H THR 75 4.243 16.554 -1.012 551 HA THR 75 HA THR 75 5.075 16.718 -3.801 552 HB THR 75 HB THR 75 6.678 15.285 -1.681 553 HG1 THR 75 1HG THR 75 7.222 17.486 -2.086 554 HG21 THR 75 3HG2 THR 75 7.051 15.115 -4.671 555 HG22 THR 75 1HG2 THR 75 6.283 13.861 -3.698 556 HG23 THR 75 2HG2 THR 75 7.977 14.272 -3.429 557 H THR 76 H THR 76 4.132 15.195 -5.019 558 HA THR 76 HA THR 76 2.190 13.461 -3.890 559 HB THR 76 HB THR 76 3.330 13.469 -6.691 560 HG1 THR 76 1HG THR 76 1.081 14.766 -5.521 561 HG21 THR 76 3HG2 THR 76 1.223 11.883 -5.363 562 HG22 THR 76 1HG2 THR 76 2.218 11.495 -6.765 563 HG23 THR 76 2HG2 THR 76 0.811 12.543 -6.945 564 H TYR 77 H TYR 77 2.292 11.371 -3.314 565 HA TYR 77 HA TYR 77 4.737 9.868 -3.970 566 HB2 TYR 77 1HB TYR 77 3.431 10.307 -1.318 567 HB3 TYR 77 2HB TYR 77 4.222 8.765 -1.625 568 HD1 TYR 77 1HD TYR 77 6.636 8.634 -1.889 569 HD2 TYR 77 2HD TYR 77 4.719 12.358 -1.139 570 HE1 TYR 77 1HE TYR 77 8.811 9.633 -1.323 571 HE2 TYR 77 2HE TYR 77 6.889 13.367 -0.573 572 HH TYR 77 HH TYR 77 9.448 12.749 -1.280 573 H ASP 78 H ASP 78 4.103 8.335 -5.340 574 HA ASP 78 HA ASP 78 1.483 7.279 -5.475 575 HB2 ASP 78 1HB ASP 78 2.796 7.216 -7.459 576 HB3 ASP 78 2HB ASP 78 4.111 6.372 -6.646 577 H ILE 79 H ILE 79 0.754 6.350 -3.621 578 HA ILE 79 HA ILE 79 2.335 4.129 -2.509 579 HB ILE 79 HB ILE 79 0.080 5.604 -1.151 580 HG12 ILE 79 1HG1 ILE 79 2.929 5.927 -0.326 581 HG13 ILE 79 2HG1 ILE 79 2.369 6.823 -1.734 582 HG21 ILE 79 1HG2 ILE 79 0.657 4.438 0.800 583 HG22 ILE 79 2HG2 ILE 79 0.683 3.222 -0.476 584 HG23 ILE 79 3HG2 ILE 79 2.196 3.900 0.126 585 HD11 ILE 79 3HD1 ILE 79 0.928 8.119 -0.500 586 HD12 ILE 79 1HD1 ILE 79 0.808 6.936 0.802 587 HD13 ILE 79 2HD1 ILE 79 2.272 7.903 0.620 588 H LYS 80 H LYS 80 1.523 2.113 -2.489 589 HA LYS 80 HA LYS 80 -1.313 1.721 -3.134 590 HB2 LYS 80 1HB LYS 80 -0.425 -0.305 -4.536 591 HB3 LYS 80 2HB LYS 80 -0.481 1.303 -5.246 592 HG2 LYS 80 1HG LYS 80 1.983 1.408 -4.273 593 HG3 LYS 80 2HG LYS 80 1.849 -0.344 -4.449 594 HD2 LYS 80 1HD LYS 80 1.067 1.469 -6.700 595 HD3 LYS 80 2HD LYS 80 2.764 1.070 -6.425 596 HE2 LYS 80 1HE LYS 80 2.067 -1.357 -6.456 597 HE3 LYS 80 2HE LYS 80 0.492 -0.811 -7.030 598 HZ1 LYS 80 3HZ LYS 80 1.467 0.063 -8.986 599 HZ2 LYS 80 1HZ LYS 80 2.088 -1.500 -8.801 600 HZ3 LYS 80 2HZ LYS 80 3.039 -0.159 -8.402 601 H VAL 81 H VAL 81 -1.568 -0.918 -3.112 602 HA VAL 81 HA VAL 81 -0.117 -2.093 -0.895 603 HB VAL 81 HB VAL 81 -2.208 -0.687 -0.081 604 HG11 VAL 81 1HG1 VAL 81 -3.656 -2.053 -1.710 605 HG12 VAL 81 2HG1 VAL 81 -3.536 -3.341 -0.509 606 HG13 VAL 81 3HG1 VAL 81 -4.260 -1.792 -0.074 607 HG21 VAL 81 3HG2 VAL 81 -1.983 -1.786 1.891 608 HG22 VAL 81 1HG2 VAL 81 -2.130 -3.378 1.146 609 HG23 VAL 81 2HG2 VAL 81 -0.603 -2.500 1.057 610 H ARG 82 H ARG 82 -0.658 -4.364 -0.567 611 HA ARG 82 HA ARG 82 -2.288 -5.667 -2.573 612 HB2 ARG 82 1HB ARG 82 -0.447 -7.109 -3.377 613 HB3 ARG 82 2HB ARG 82 -0.212 -5.418 -3.797 614 HG2 ARG 82 1HG ARG 82 1.562 -5.163 -2.370 615 HG3 ARG 82 2HG ARG 82 1.031 -6.466 -1.304 616 HD2 ARG 82 1HD ARG 82 3.088 -6.807 -2.875 617 HD3 ARG 82 2HD ARG 82 1.922 -8.109 -2.644 618 HE ARG 82 HE ARG 82 0.955 -6.830 -4.808 619 HH11 ARG 82 1HH1 ARG 82 4.118 -8.038 -3.998 620 HH12 ARG 82 2HH1 ARG 82 4.556 -8.367 -5.642 621 HH21 ARG 82 1HH2 ARG 82 1.520 -7.259 -6.975 622 HH22 ARG 82 2HH2 ARG 82 3.077 -7.923 -7.335 623 H ALA 83 H ALA 83 -3.074 -7.592 -1.880 624 HA ALA 83 HA ALA 83 -2.531 -8.329 0.863 625 HB1 ALA 83 3HB ALA 83 -4.275 -10.186 -0.414 626 HB2 ALA 83 1HB ALA 83 -4.650 -8.977 0.815 627 HB3 ALA 83 2HB ALA 83 -4.731 -8.551 -0.895 628 H TRP 84 H TRP 84 -1.637 -10.231 1.584 629 HA TRP 84 HA TRP 84 -0.344 -11.907 -0.468 630 HB2 TRP 84 1HB TRP 84 0.660 -11.032 2.240 631 HB3 TRP 84 2HB TRP 84 1.384 -12.365 1.343 632 HD1 TRP 84 HD TRP 84 0.435 -8.700 0.424 633 HE1 TRP 84 1HE TRP 84 2.412 -7.684 -0.873 634 HE3 TRP 84 3HE TRP 84 3.583 -12.728 0.456 635 HZ2 TRP 84 2HZ TRP 84 4.968 -8.483 -1.765 636 HZ3 TRP 84 3HZ TRP 84 5.776 -12.520 -0.641 637 HH2 TRP 84 HH TRP 84 6.452 -10.441 -1.729 638 H THR 85 H THR 85 -0.216 -14.142 -0.090 639 HA THR 85 HA THR 85 -2.036 -15.137 2.007 640 HB THR 85 HB THR 85 -2.379 -17.112 0.400 641 HG1 THR 85 1HG THR 85 -2.073 -16.519 -1.820 642 HG21 THR 85 3HG2 THR 85 -4.366 -16.116 0.259 643 HG22 THR 85 1HG2 THR 85 -3.754 -15.152 -1.084 644 HG23 THR 85 2HG2 THR 85 -3.637 -14.540 0.566 645 H SER 86 H SER 86 -1.626 -17.458 2.585 646 HA SER 86 HA SER 86 0.909 -17.811 3.620 647 HB2 SER 86 1HB SER 86 0.253 -20.018 4.200 648 HB3 SER 86 2HB SER 86 -1.233 -19.067 4.214 649 HG SER 86 HG SER 86 -0.325 -20.851 2.209 650 H LYS 87 H LYS 87 -0.180 -18.296 0.410 651 HA LYS 87 HA LYS 87 1.990 -20.076 -0.321 652 HB2 LYS 87 1HB LYS 87 -0.294 -18.819 -1.817 653 HB3 LYS 87 2HB LYS 87 1.022 -19.606 -2.677 654 HG2 LYS 87 1HG LYS 87 -0.397 -21.363 -2.514 655 HG3 LYS 87 2HG LYS 87 0.460 -21.565 -0.984 656 HD2 LYS 87 1HD LYS 87 -1.304 -20.661 0.257 657 HD3 LYS 87 2HD LYS 87 -2.038 -19.912 -1.162 658 HE2 LYS 87 1HE LYS 87 -3.410 -21.748 -0.719 659 HE3 LYS 87 2HE LYS 87 -2.359 -22.306 -2.020 660 HZ1 LYS 87 3HZ LYS 87 -1.797 -22.826 0.844 661 HZ2 LYS 87 1HZ LYS 87 -1.061 -23.540 -0.502 662 HZ3 LYS 87 2HZ LYS 87 -2.673 -23.895 -0.133 663 H GLY 88 H GLY 88 0.917 -16.859 -1.451 664 HA2 GLY 88 1HA GLY 88 3.610 -15.841 -1.346 665 HA3 GLY 88 2HA GLY 88 3.041 -16.126 -2.984 666 H SER 89 H SER 89 2.617 -14.195 -3.836 667 HA SER 89 HA SER 89 0.890 -12.370 -2.295 668 HB2 SER 89 1HB SER 89 2.061 -10.469 -3.268 669 HB3 SER 89 2HB SER 89 3.218 -11.515 -2.446 670 HG SER 89 HG SER 89 4.120 -11.086 -4.392 671 H GLY 90 H GLY 90 -0.117 -10.675 -3.845 672 HA2 GLY 90 1HA GLY 90 -0.991 -12.072 -6.299 673 HA3 GLY 90 2HA GLY 90 -2.109 -11.196 -5.264 674 HA PRO 91 HA PRO 91 -1.126 -8.207 -8.545 675 HB2 PRO 91 1HB PRO 91 -3.472 -6.861 -8.305 676 HB3 PRO 91 2HB PRO 91 -3.309 -8.348 -9.248 677 HG2 PRO 91 1HG PRO 91 -4.364 -7.970 -6.472 678 HG3 PRO 91 2HG PRO 91 -5.002 -8.979 -7.783 679 HD2 PRO 91 1HD PRO 91 -3.531 -9.994 -5.749 680 HD3 PRO 91 2HD PRO 91 -3.486 -10.670 -7.390 681 H LEU 92 H LEU 92 -1.682 -5.670 -8.419 682 HA LEU 92 HA LEU 92 -0.919 -4.742 -5.730 683 HB2 LEU 92 1HB LEU 92 0.323 -4.216 -8.370 684 HB3 LEU 92 2HB LEU 92 0.228 -2.866 -7.240 685 HG LEU 92 HG LEU 92 1.419 -5.470 -6.369 686 HD11 LEU 92 1HD1 LEU 92 2.392 -4.479 -8.600 687 HD12 LEU 92 2HD1 LEU 92 3.456 -5.079 -7.329 688 HD13 LEU 92 3HD1 LEU 92 3.172 -3.347 -7.496 689 HD21 LEU 92 3HD2 LEU 92 2.831 -3.333 -5.337 690 HD22 LEU 92 1HD2 LEU 92 1.574 -4.252 -4.509 691 HD23 LEU 92 2HD2 LEU 92 1.163 -2.761 -5.356 692 H SER 93 H SER 93 -2.359 -3.391 -4.908 693 HA SER 93 HA SER 93 -4.608 -2.441 -6.231 694 HB2 SER 93 1HB SER 93 -5.143 -1.330 -4.262 695 HB3 SER 93 2HB SER 93 -4.017 -2.554 -3.675 696 HG SER 93 HG SER 93 -3.369 0.136 -4.318 697 HA PRO 94 HA PRO 94 -3.371 1.080 -8.538 698 HB2 PRO 94 1HB PRO 94 -5.550 2.679 -8.280 699 HB3 PRO 94 2HB PRO 94 -5.544 1.217 -9.272 700 HG2 PRO 94 1HG PRO 94 -6.594 1.620 -6.497 701 HG3 PRO 94 2HG PRO 94 -7.322 0.737 -7.851 702 HD2 PRO 94 1HD PRO 94 -6.011 -0.509 -5.836 703 HD3 PRO 94 2HD PRO 94 -6.018 -1.131 -7.499 704 H SER 95 H SER 95 -1.806 2.392 -7.835 705 HA SER 95 HA SER 95 -1.468 3.452 -5.324 706 HB2 SER 95 1HB SER 95 -0.216 5.347 -6.763 707 HB3 SER 95 2HB SER 95 0.446 3.727 -6.543 708 HG SER 95 HG SER 95 -1.020 4.713 -8.760 709 H ILE 96 H ILE 96 -1.897 5.427 -4.336 710 HA ILE 96 HA ILE 96 -4.208 6.854 -5.449 711 HB ILE 96 HB ILE 96 -4.268 7.839 -3.059 712 HG12 ILE 96 1HG1 ILE 96 -2.608 5.357 -2.565 713 HG13 ILE 96 2HG1 ILE 96 -2.018 7.010 -2.425 714 HG21 ILE 96 1HG2 ILE 96 -5.677 5.940 -4.217 715 HG22 ILE 96 2HG2 ILE 96 -4.860 4.924 -3.032 716 HG23 ILE 96 3HG2 ILE 96 -5.848 6.282 -2.496 717 HD11 ILE 96 3HD1 ILE 96 -2.998 7.327 -0.429 718 HD12 ILE 96 1HD1 ILE 96 -4.419 6.372 -0.850 719 HD13 ILE 96 2HD1 ILE 96 -2.928 5.567 -0.359 720 H GLN 97 H GLN 97 -0.880 7.231 -4.592 721 HA GLN 97 HA GLN 97 0.591 8.946 -4.842 722 HB2 GLN 97 1HB GLN 97 -1.611 9.677 -6.702 723 HB3 GLN 97 2HB GLN 97 -0.432 10.923 -6.316 724 HG2 GLN 97 1HG GLN 97 1.250 9.876 -7.419 725 HG3 GLN 97 2HG GLN 97 0.608 8.266 -7.099 726 HE21 GLN 97 1HE2 GLN 97 0.019 7.265 -8.872 727 HE22 GLN 97 2HE2 GLN 97 -0.691 7.989 -10.271 728 H SER 98 H SER 98 -0.631 8.950 -2.462 729 HA SER 98 HA SER 98 -2.007 11.331 -1.795 730 HB2 SER 98 1HB SER 98 -1.886 9.134 -0.466 731 HB3 SER 98 2HB SER 98 -0.342 9.731 0.144 732 HG SER 98 HG SER 98 -2.750 11.216 0.301 733 H ARG 99 H ARG 99 -1.160 13.292 -2.027 734 HA ARG 99 HA ARG 99 1.683 13.747 -1.847 735 HB2 ARG 99 1HB ARG 99 0.391 14.950 -3.520 736 HB3 ARG 99 2HB ARG 99 -0.627 15.651 -2.269 737 HG2 ARG 99 1HG ARG 99 1.223 16.924 -1.407 738 HG3 ARG 99 2HG ARG 99 2.332 16.137 -2.532 739 HD2 ARG 99 1HD ARG 99 0.590 17.069 -4.303 740 HD3 ARG 99 2HD ARG 99 0.296 18.243 -3.020 741 HE ARG 99 HE ARG 99 2.982 18.257 -3.233 742 HH11 ARG 99 1HH1 ARG 99 0.423 18.557 -5.574 743 HH12 ARG 99 2HH1 ARG 99 1.341 19.567 -6.641 744 HH21 ARG 99 1HH2 ARG 99 4.201 19.586 -4.629 745 HH22 ARG 99 2HH2 ARG 99 3.490 20.151 -6.103 746 H THR 100 H THR 100 2.657 13.936 0.052 747 HA THR 100 HA THR 100 1.560 14.177 2.535 748 HB THR 100 HB THR 100 3.722 15.090 3.321 749 HG1 THR 100 1HG THR 100 4.055 15.509 0.553 750 HG21 THR 100 3HG2 THR 100 5.147 13.255 2.047 751 HG22 THR 100 1HG2 THR 100 3.554 12.752 1.486 752 HG23 THR 100 2HG2 THR 100 3.903 12.809 3.214 753 H MET 101 H MET 101 1.080 15.836 3.971 754 HA MET 101 HA MET 101 -0.125 18.130 2.918 755 HB2 MET 101 1HB MET 101 -0.723 18.633 5.076 756 HB3 MET 101 2HB MET 101 -0.337 16.927 5.261 757 HG2 MET 101 1HG MET 101 1.813 17.448 6.173 758 HG3 MET 101 2HG MET 101 1.593 19.161 5.827 759 HE1 MET 101 3HE MET 101 -1.370 16.871 8.130 760 HE2 MET 101 1HE MET 101 -0.017 16.178 7.236 761 HE3 MET 101 2HE MET 101 0.124 16.457 8.972 762 HA PRO 102 HA PRO 102 3.291 20.833 2.233 763 HB2 PRO 102 1HB PRO 102 1.926 23.179 2.162 764 HB3 PRO 102 2HB PRO 102 1.883 22.002 0.843 765 HG2 PRO 102 1HG PRO 102 -0.105 22.467 3.033 766 HG3 PRO 102 2HG PRO 102 -0.389 22.174 1.307 767 HD2 PRO 102 1HD PRO 102 -0.652 20.233 3.177 768 HD3 PRO 102 2HD PRO 102 -0.112 19.896 1.519 769 H VAL 103 H VAL 103 4.511 20.757 4.104 770 HA VAL 103 HA VAL 103 3.913 21.520 6.648 771 HB VAL 103 HB VAL 103 6.055 20.539 6.131 772 HG11 VAL 103 1HG1 VAL 103 7.380 21.239 4.488 773 HG12 VAL 103 2HG1 VAL 103 6.136 22.421 4.076 774 HG13 VAL 103 3HG1 VAL 103 7.454 22.868 5.161 775 HG21 VAL 103 3HG2 VAL 103 5.805 23.004 7.666 776 HG22 VAL 103 1HG2 VAL 103 6.564 21.471 8.098 777 HG23 VAL 103 2HG2 VAL 103 7.461 22.667 7.161 Start of MODEL 11 1 H1 GLY 1 H GLY 1 11.459 -18.323 -16.288 2 HA2 GLY 1 1HA GLY 1 8.975 -17.768 -16.685 3 HA3 GLY 1 2HA GLY 1 9.324 -19.340 -15.981 4 H SER 2 H SER 2 7.446 -19.532 -14.815 5 HA SER 2 HA SER 2 7.242 -17.754 -12.487 6 HB2 SER 2 1HB SER 2 4.884 -17.513 -12.704 7 HB3 SER 2 2HB SER 2 5.551 -17.167 -14.299 8 HG SER 2 HG SER 2 3.914 -18.562 -14.672 9 H SER 3 H SER 3 6.394 -18.704 -10.612 10 HA SER 3 HA SER 3 6.720 -21.589 -10.519 11 HB2 SER 3 1HB SER 3 6.206 -19.610 -8.285 12 HB3 SER 3 2HB SER 3 6.627 -21.310 -8.080 13 HG SER 3 HG SER 3 8.332 -19.480 -8.085 14 H GLY 4 H GLY 4 4.456 -20.765 -11.957 15 HA2 GLY 4 1HA GLY 4 2.250 -21.375 -12.170 16 HA3 GLY 4 2HA GLY 4 2.450 -22.336 -10.712 17 H SER 5 H SER 5 0.442 -20.233 -11.867 18 HA SER 5 HA SER 5 0.381 -18.073 -10.062 19 HB2 SER 5 1HB SER 5 -2.016 -17.858 -10.777 20 HB3 SER 5 2HB SER 5 -0.874 -17.949 -12.118 21 HG SER 5 HG SER 5 -2.842 -19.321 -12.206 22 H SER 6 H SER 6 0.290 -18.317 -7.927 23 HA SER 6 HA SER 6 -1.715 -20.175 -6.828 24 HB2 SER 6 1HB SER 6 1.023 -19.553 -5.693 25 HB3 SER 6 2HB SER 6 -0.198 -20.556 -4.910 26 HG SER 6 HG SER 6 -0.093 -21.878 -6.869 27 H GLY 7 H GLY 7 0.179 -17.230 -6.238 28 HA2 GLY 7 1HA GLY 7 -1.007 -16.307 -3.933 29 HA3 GLY 7 2HA GLY 7 -0.412 -15.259 -5.212 30 HA PRO 8 HA PRO 8 -5.087 -14.895 -4.690 31 HB2 PRO 8 1HB PRO 8 -5.119 -12.304 -3.879 32 HB3 PRO 8 2HB PRO 8 -4.999 -13.662 -2.753 33 HG2 PRO 8 1HG PRO 8 -2.835 -11.892 -3.823 34 HG3 PRO 8 2HG PRO 8 -3.083 -12.481 -2.169 35 HD2 PRO 8 1HD PRO 8 -1.288 -13.600 -3.859 36 HD3 PRO 8 2HD PRO 8 -2.156 -14.540 -2.628 37 H SER 9 H SER 9 -6.488 -13.617 -6.010 38 HA SER 9 HA SER 9 -5.096 -12.222 -8.203 39 HB2 SER 9 1HB SER 9 -6.246 -14.474 -8.708 40 HB3 SER 9 2HB SER 9 -7.762 -13.594 -8.512 41 HG SER 9 HG SER 9 -6.513 -12.070 -10.086 42 H GLY 10 H GLY 10 -6.699 -11.521 -5.562 43 HA2 GLY 10 1HA GLY 10 -8.214 -9.329 -6.838 44 HA3 GLY 10 2HA GLY 10 -8.843 -10.200 -5.447 45 H PHE 11 H PHE 11 -7.978 -7.319 -6.011 46 HA PHE 11 HA PHE 11 -6.013 -7.026 -3.847 47 HB2 PHE 11 1HB PHE 11 -5.960 -4.602 -4.737 48 HB3 PHE 11 2HB PHE 11 -5.212 -5.860 -5.714 49 HD1 PHE 11 2HD PHE 11 -6.621 -6.872 -7.600 50 HD2 PHE 11 1HD PHE 11 -7.581 -3.216 -5.644 51 HE1 PHE 11 2HE PHE 11 -8.026 -6.223 -9.512 52 HE2 PHE 11 1HE PHE 11 -8.988 -2.560 -7.553 53 HZ PHE 11 HZ PHE 11 -9.211 -4.064 -9.491 54 HA PRO 12 HA PRO 12 -8.942 -5.341 -1.049 55 HB2 PRO 12 1HB PRO 12 -7.446 -3.484 0.248 56 HB3 PRO 12 2HB PRO 12 -7.237 -5.223 0.486 57 HG2 PRO 12 1HG PRO 12 -5.654 -3.341 -1.222 58 HG3 PRO 12 2HG PRO 12 -5.080 -4.640 -0.159 59 HD2 PRO 12 1HD PRO 12 -5.280 -4.935 -2.843 60 HD3 PRO 12 2HD PRO 12 -5.530 -6.281 -1.714 61 H GLN 13 H GLN 13 -9.794 -3.164 -0.212 62 HA GLN 13 HA GLN 13 -9.691 -1.097 -2.294 63 HB2 GLN 13 1HB GLN 13 -12.302 -1.810 -1.000 64 HB3 GLN 13 2HB GLN 13 -12.013 -0.935 -2.498 65 HG2 GLN 13 1HG GLN 13 -11.164 -3.779 -2.318 66 HG3 GLN 13 2HG GLN 13 -12.877 -3.408 -2.508 67 HE21 GLN 13 1HE2 GLN 13 -12.145 -4.753 -4.500 68 HE22 GLN 13 2HE2 GLN 13 -11.746 -3.819 -5.897 69 H ASN 14 H ASN 14 -11.253 0.807 -1.369 70 HA ASN 14 HA ASN 14 -11.417 2.512 0.126 71 HB2 ASN 14 1HB ASN 14 -11.358 0.093 1.856 72 HB3 ASN 14 2HB ASN 14 -11.096 1.648 2.642 73 HD21 ASN 14 1HD2 ASN 14 -13.130 0.897 -0.139 74 HD22 ASN 14 2HD2 ASN 14 -14.622 1.353 0.604 75 H LEU 15 H LEU 15 -8.820 1.731 -1.007 76 HA LEU 15 HA LEU 15 -6.840 2.187 1.022 77 HB2 LEU 15 1HB LEU 15 -6.507 0.842 -1.078 78 HB3 LEU 15 2HB LEU 15 -6.493 2.365 -1.964 79 HG LEU 15 HG LEU 15 -4.506 3.053 -0.639 80 HD11 LEU 15 1HD1 LEU 15 -3.279 1.134 0.485 81 HD12 LEU 15 2HD1 LEU 15 -4.821 0.279 0.467 82 HD13 LEU 15 3HD1 LEU 15 -4.668 1.803 1.342 83 HD21 LEU 15 3HD2 LEU 15 -3.002 1.942 -2.003 84 HD22 LEU 15 1HD2 LEU 15 -4.513 1.778 -2.896 85 HD23 LEU 15 2HD2 LEU 15 -3.904 0.427 -1.940 86 H HIS 16 H HIS 16 -6.421 4.101 1.882 87 HA HIS 16 HA HIS 16 -5.920 6.411 0.306 88 HB2 HIS 16 1HB HIS 16 -7.734 7.826 1.328 89 HB3 HIS 16 2HB HIS 16 -8.299 6.633 0.162 90 HD1 HIS 16 1HD HIS 16 -10.244 5.311 0.912 91 HD2 HIS 16 2HD HIS 16 -8.045 6.773 4.119 92 HE1 HIS 16 1HE HIS 16 -11.515 4.620 2.969 93 HE2 HIS 16 2HE HIS 16 -10.211 5.590 4.894 94 H VAL 17 H VAL 17 -6.023 8.433 2.019 95 HA VAL 17 HA VAL 17 -4.395 7.504 4.288 96 HB VAL 17 HB VAL 17 -3.163 8.957 2.791 97 HG11 VAL 17 1HG1 VAL 17 -5.651 10.369 2.664 98 HG12 VAL 17 2HG1 VAL 17 -4.363 11.475 3.146 99 HG13 VAL 17 3HG1 VAL 17 -4.217 10.547 1.654 100 HG21 VAL 17 3HG2 VAL 17 -3.309 9.238 5.484 101 HG22 VAL 17 1HG2 VAL 17 -2.150 10.080 4.456 102 HG23 VAL 17 2HG2 VAL 17 -3.635 10.889 4.955 103 H THR 18 H THR 18 -5.053 7.868 6.313 104 HA THR 18 HA THR 18 -7.565 9.311 6.704 105 HB THR 18 HB THR 18 -7.306 7.005 7.630 106 HG1 THR 18 1HG THR 18 -7.948 9.263 9.160 107 HG21 THR 18 3HG2 THR 18 -5.560 8.206 9.754 108 HG22 THR 18 1HG2 THR 18 -4.859 7.485 8.306 109 HG23 THR 18 2HG2 THR 18 -5.851 6.506 9.387 110 H GLY 19 H GLY 19 -4.234 9.788 7.050 111 HA2 GLY 19 1HA GLY 19 -4.521 12.399 8.071 112 HA3 GLY 19 2HA GLY 19 -4.059 11.325 9.383 113 H LEU 20 H LEU 20 -3.100 12.422 6.156 114 HA LEU 20 HA LEU 20 -0.497 11.307 6.245 115 HB2 LEU 20 1HB LEU 20 -0.172 12.267 4.207 116 HB3 LEU 20 2HB LEU 20 -1.934 12.267 4.265 117 HG LEU 20 HG LEU 20 -0.076 14.600 4.687 118 HD11 LEU 20 1HD1 LEU 20 -0.597 15.212 2.607 119 HD12 LEU 20 2HD1 LEU 20 -2.306 14.837 2.830 120 HD13 LEU 20 3HD1 LEU 20 -1.172 13.559 2.393 121 HD21 LEU 20 3HD2 LEU 20 -2.892 14.190 5.510 122 HD22 LEU 20 1HD2 LEU 20 -2.483 15.737 4.768 123 HD23 LEU 20 2HD2 LEU 20 -1.636 15.205 6.220 124 H THR 21 H THR 21 1.479 12.803 6.011 125 HA THR 21 HA THR 21 1.347 15.137 7.762 126 HB THR 21 HB THR 21 3.373 12.950 8.254 127 HG1 THR 21 1HG THR 21 1.505 12.107 9.032 128 HG21 THR 21 3HG2 THR 21 4.160 15.146 8.893 129 HG22 THR 21 1HG2 THR 21 3.769 14.226 10.345 130 HG23 THR 21 2HG2 THR 21 2.660 15.467 9.762 131 H THR 22 H THR 22 3.360 16.409 7.723 132 HA THR 22 HA THR 22 4.239 16.904 5.117 133 HB THR 22 HB THR 22 5.947 18.362 6.120 134 HG1 THR 22 1HG THR 22 5.969 18.443 8.477 135 HG21 THR 22 3HG2 THR 22 4.400 19.777 7.491 136 HG22 THR 22 1HG2 THR 22 3.214 18.475 7.395 137 HG23 THR 22 2HG2 THR 22 3.747 19.293 5.926 138 H SER 23 H SER 23 5.550 14.855 7.637 139 HA SER 23 HA SER 23 7.801 14.151 5.877 140 HB2 SER 23 1HB SER 23 7.465 14.182 8.849 141 HB3 SER 23 2HB SER 23 8.591 13.029 8.134 142 HG SER 23 HG SER 23 9.284 15.329 8.738 143 H THR 24 H THR 24 5.240 12.808 7.908 144 HA THR 24 HA THR 24 5.686 10.180 6.656 145 HB THR 24 HB THR 24 4.636 9.145 8.521 146 HG1 THR 24 1HG THR 24 2.988 10.787 8.794 147 HG21 THR 24 3HG2 THR 24 5.962 10.038 10.460 148 HG22 THR 24 1HG2 THR 24 6.476 11.362 9.415 149 HG23 THR 24 2HG2 THR 24 6.909 9.700 9.011 150 H THR 25 H THR 25 3.599 8.864 6.475 151 HA THR 25 HA THR 25 1.260 10.488 5.831 152 HB THR 25 HB THR 25 2.826 8.896 3.832 153 HG1 THR 25 1HG THR 25 1.323 11.203 3.282 154 HG21 THR 25 3HG2 THR 25 0.656 7.850 3.748 155 HG22 THR 25 1HG2 THR 25 0.819 8.920 2.356 156 HG23 THR 25 2HG2 THR 25 -0.146 9.421 3.745 157 H GLU 26 H GLU 26 -0.320 9.561 6.950 158 HA GLU 26 HA GLU 26 -0.242 6.812 7.741 159 HB2 GLU 26 1HB GLU 26 -2.250 9.026 8.063 160 HB3 GLU 26 2HB GLU 26 -2.630 7.379 8.544 161 HG2 GLU 26 1HG GLU 26 -0.417 7.535 9.888 162 HG3 GLU 26 2HG GLU 26 -0.638 9.274 9.702 163 H LEU 27 H LEU 27 -1.965 5.260 7.302 164 HA LEU 27 HA LEU 27 -3.404 5.668 4.790 165 HB2 LEU 27 1HB LEU 27 -1.651 3.277 5.334 166 HB3 LEU 27 2HB LEU 27 -2.683 3.505 3.923 167 HG LEU 27 HG LEU 27 -0.226 5.110 4.627 168 HD11 LEU 27 1HD1 LEU 27 0.826 4.043 2.805 169 HD12 LEU 27 2HD1 LEU 27 -0.685 3.319 2.257 170 HD13 LEU 27 3HD1 LEU 27 0.069 2.759 3.749 171 HD21 LEU 27 3HD2 LEU 27 -1.009 6.710 3.307 172 HD22 LEU 27 1HD2 LEU 27 -2.484 5.787 3.019 173 HD23 LEU 27 2HD2 LEU 27 -1.081 5.557 1.974 174 H ALA 28 H ALA 28 -5.059 4.000 4.410 175 HA ALA 28 HA ALA 28 -5.796 2.219 6.523 176 HB1 ALA 28 3HB ALA 28 -6.574 4.805 6.964 177 HB2 ALA 28 1HB ALA 28 -7.997 4.108 6.188 178 HB3 ALA 28 2HB ALA 28 -7.342 3.374 7.652 179 H TRP 29 H TRP 29 -6.326 0.542 5.278 180 HA TRP 29 HA TRP 29 -8.328 0.970 3.165 181 HB2 TRP 29 1HB TRP 29 -7.192 -0.680 1.754 182 HB3 TRP 29 2HB TRP 29 -6.126 0.675 2.117 183 HD1 TRP 29 HD TRP 29 -6.542 -3.061 2.739 184 HE1 TRP 29 1HE TRP 29 -4.366 -3.982 3.761 185 HE3 TRP 29 3HE TRP 29 -4.106 1.355 3.576 186 HZ2 TRP 29 2HZ TRP 29 -1.939 -2.969 4.786 187 HZ3 TRP 29 3HZ TRP 29 -1.861 1.292 4.582 188 HH2 TRP 29 HH TRP 29 -0.802 -0.827 5.174 189 H ASP 30 H ASP 30 -9.009 -1.426 2.394 190 HA ASP 30 HA ASP 30 -9.541 -2.998 4.827 191 HB2 ASP 30 1HB ASP 30 -11.448 -1.866 2.852 192 HB3 ASP 30 2HB ASP 30 -11.775 -3.500 3.422 193 HA PRO 31 HA PRO 31 -8.360 -6.597 2.620 194 HB2 PRO 31 1HB PRO 31 -10.173 -8.441 3.447 195 HB3 PRO 31 2HB PRO 31 -8.891 -7.818 4.492 196 HG2 PRO 31 1HG PRO 31 -11.774 -7.025 4.352 197 HG3 PRO 31 2HG PRO 31 -10.755 -7.292 5.779 198 HD2 PRO 31 1HD PRO 31 -11.316 -4.818 4.831 199 HD3 PRO 31 2HD PRO 31 -9.777 -5.210 5.626 200 HA PRO 32 HA PRO 32 -10.633 -7.188 -1.098 201 HB2 PRO 32 1HB PRO 32 -10.142 -9.796 -1.673 202 HB3 PRO 32 2HB PRO 32 -8.916 -8.532 -1.823 203 HG2 PRO 32 1HG PRO 32 -9.346 -10.500 0.390 204 HG3 PRO 32 2HG PRO 32 -7.828 -9.981 -0.365 205 HD2 PRO 32 1HD PRO 32 -8.680 -9.006 2.013 206 HD3 PRO 32 2HD PRO 32 -7.735 -8.035 0.866 207 H VAL 33 H VAL 33 -12.584 -7.908 -1.919 208 HA VAL 33 HA VAL 33 -14.575 -8.677 -0.098 209 HB VAL 33 HB VAL 33 -15.992 -9.074 -2.120 210 HG11 VAL 33 1HG1 VAL 33 -15.498 -6.808 -1.010 211 HG12 VAL 33 2HG1 VAL 33 -14.506 -6.490 -2.434 212 HG13 VAL 33 3HG1 VAL 33 -16.231 -6.809 -2.613 213 HG21 VAL 33 3HG2 VAL 33 -13.443 -9.295 -3.369 214 HG22 VAL 33 1HG2 VAL 33 -15.042 -9.544 -4.070 215 HG23 VAL 33 2HG2 VAL 33 -14.308 -7.940 -4.094 216 H LEU 34 H LEU 34 -15.203 -10.595 0.650 217 HA LEU 34 HA LEU 34 -13.869 -12.919 0.548 218 HB2 LEU 34 1HB LEU 34 -15.789 -14.039 1.296 219 HB3 LEU 34 2HB LEU 34 -15.958 -12.378 1.860 220 HG LEU 34 HG LEU 34 -17.313 -13.378 -0.633 221 HD11 LEU 34 1HD1 LEU 34 -17.843 -14.560 1.673 222 HD12 LEU 34 2HD1 LEU 34 -19.116 -14.144 0.526 223 HD13 LEU 34 3HD1 LEU 34 -18.808 -13.104 1.916 224 HD21 LEU 34 3HD2 LEU 34 -18.688 -11.454 -0.390 225 HD22 LEU 34 1HD2 LEU 34 -17.016 -10.918 -0.229 226 HD23 LEU 34 2HD2 LEU 34 -18.025 -11.102 1.206 227 H ALA 35 H ALA 35 -16.042 -11.728 -1.931 228 HA ALA 35 HA ALA 35 -16.392 -14.028 -3.452 229 HB1 ALA 35 3HB ALA 35 -16.278 -12.088 -5.357 230 HB2 ALA 35 1HB ALA 35 -17.694 -12.452 -4.370 231 HB3 ALA 35 2HB ALA 35 -16.607 -11.143 -3.905 232 H GLU 36 H GLU 36 -13.877 -11.524 -3.804 233 HA GLU 36 HA GLU 36 -12.384 -13.301 -5.580 234 HB2 GLU 36 1HB GLU 36 -12.133 -10.381 -4.889 235 HB3 GLU 36 2HB GLU 36 -10.872 -11.236 -5.767 236 HG2 GLU 36 1HG GLU 36 -13.704 -11.280 -6.726 237 HG3 GLU 36 2HG GLU 36 -12.643 -9.920 -7.087 238 H ARG 37 H ARG 37 -11.769 -14.811 -3.943 239 HA ARG 37 HA ARG 37 -9.340 -14.003 -2.565 240 HB2 ARG 37 1HB ARG 37 -11.851 -14.846 -1.185 241 HB3 ARG 37 2HB ARG 37 -10.310 -15.367 -0.518 242 HG2 ARG 37 1HG ARG 37 -9.591 -13.063 -0.303 243 HG3 ARG 37 2HG ARG 37 -11.092 -12.508 -1.048 244 HD2 ARG 37 1HD ARG 37 -11.660 -12.266 1.145 245 HD3 ARG 37 2HD ARG 37 -12.160 -13.940 0.905 246 HE ARG 37 HE ARG 37 -9.597 -14.177 1.730 247 HH11 ARG 37 1HH1 ARG 37 -12.364 -12.479 2.987 248 HH12 ARG 37 2HH1 ARG 37 -11.861 -12.615 4.640 249 HH21 ARG 37 1HH2 ARG 37 -8.923 -14.362 3.902 250 HH22 ARG 37 2HH2 ARG 37 -9.903 -13.686 5.158 251 H ASN 38 H ASN 38 -7.938 -15.415 -3.383 252 HA ASN 38 HA ASN 38 -8.769 -18.127 -4.018 253 HB2 ASN 38 1HB ASN 38 -6.337 -16.469 -4.594 254 HB3 ASN 38 2HB ASN 38 -6.257 -18.221 -4.753 255 HD21 ASN 38 1HD2 ASN 38 -5.824 -16.639 -6.916 256 HD22 ASN 38 2HD2 ASN 38 -7.138 -16.782 -8.028 257 H GLY 39 H GLY 39 -8.741 -17.427 -1.247 258 HA2 GLY 39 1HA GLY 39 -7.938 -19.520 0.113 259 HA3 GLY 39 2HA GLY 39 -6.371 -18.782 -0.185 260 H ARG 40 H ARG 40 -5.642 -17.641 1.468 261 HA ARG 40 HA ARG 40 -7.510 -15.952 2.966 262 HB2 ARG 40 1HB ARG 40 -6.467 -16.652 5.100 263 HB3 ARG 40 2HB ARG 40 -7.320 -17.964 4.298 264 HG2 ARG 40 1HG ARG 40 -4.414 -17.669 3.775 265 HG3 ARG 40 2HG ARG 40 -4.923 -18.291 5.346 266 HD2 ARG 40 1HD ARG 40 -5.785 -19.407 2.680 267 HD3 ARG 40 2HD ARG 40 -4.497 -20.073 3.684 268 HE ARG 40 HE ARG 40 -6.696 -19.981 5.315 269 HH11 ARG 40 1HH1 ARG 40 -5.925 -21.441 2.250 270 HH12 ARG 40 2HH1 ARG 40 -6.998 -22.783 2.472 271 HH21 ARG 40 1HH2 ARG 40 -8.112 -21.743 5.619 272 HH22 ARG 40 2HH2 ARG 40 -8.242 -22.954 4.388 273 H ILE 41 H ILE 41 -6.447 -14.258 4.202 274 HA ILE 41 HA ILE 41 -3.982 -13.387 2.878 275 HB ILE 41 HB ILE 41 -5.567 -11.629 4.708 276 HG12 ILE 41 1HG1 ILE 41 -7.297 -12.495 3.304 277 HG13 ILE 41 2HG1 ILE 41 -6.876 -10.908 2.671 278 HG21 ILE 41 1HG2 ILE 41 -3.966 -10.240 4.028 279 HG22 ILE 41 2HG2 ILE 41 -3.432 -11.355 2.771 280 HG23 ILE 41 3HG2 ILE 41 -4.760 -10.239 2.453 281 HD11 ILE 41 3HD1 ILE 41 -5.392 -12.101 1.020 282 HD12 ILE 41 1HD1 ILE 41 -6.161 -13.596 1.550 283 HD13 ILE 41 2HD1 ILE 41 -7.130 -12.321 0.811 284 H ILE 42 H ILE 42 -2.139 -12.870 3.984 285 HA ILE 42 HA ILE 42 -2.115 -13.550 6.852 286 HB ILE 42 HB ILE 42 0.342 -14.038 6.485 287 HG12 ILE 42 1HG1 ILE 42 -0.532 -14.034 3.587 288 HG13 ILE 42 2HG1 ILE 42 0.565 -12.874 4.327 289 HG21 ILE 42 1HG2 ILE 42 -0.136 -16.278 5.430 290 HG22 ILE 42 2HG2 ILE 42 -1.130 -15.859 6.825 291 HG23 ILE 42 3HG2 ILE 42 -1.793 -15.720 5.197 292 HD11 ILE 42 3HD1 ILE 42 1.019 -15.761 3.705 293 HD12 ILE 42 1HD1 ILE 42 1.971 -14.354 3.232 294 HD13 ILE 42 2HD1 ILE 42 2.003 -14.920 4.902 295 H SER 43 H SER 43 -1.045 -11.312 4.383 296 HA SER 43 HA SER 43 -0.822 -9.171 6.229 297 HB2 SER 43 1HB SER 43 1.662 -8.765 5.792 298 HB3 SER 43 2HB SER 43 1.267 -10.071 6.909 299 HG SER 43 HG SER 43 2.752 -10.246 4.780 300 H TYR 44 H TYR 44 0.406 -7.253 5.061 301 HA TYR 44 HA TYR 44 -0.206 -7.334 2.187 302 HB2 TYR 44 1HB TYR 44 -1.033 -5.163 4.124 303 HB3 TYR 44 2HB TYR 44 -1.161 -5.041 2.373 304 HD1 TYR 44 2HD TYR 44 -2.225 -7.265 5.180 305 HD2 TYR 44 1HD TYR 44 -3.159 -5.626 1.366 306 HE1 TYR 44 2HE TYR 44 -4.442 -8.324 5.274 307 HE2 TYR 44 1HE TYR 44 -5.380 -6.680 1.451 308 HH TYR 44 HH TYR 44 -6.264 -8.991 2.943 309 H THR 45 H THR 45 0.885 -5.698 0.928 310 HA THR 45 HA THR 45 3.341 -4.708 2.225 311 HB THR 45 HB THR 45 3.022 -5.689 -0.619 312 HG1 THR 45 1HG THR 45 4.803 -6.768 1.279 313 HG21 THR 45 3HG2 THR 45 5.030 -4.005 0.670 314 HG22 THR 45 1HG2 THR 45 4.734 -4.302 -1.042 315 HG23 THR 45 2HG2 THR 45 5.712 -5.433 -0.107 316 H VAL 46 H VAL 46 3.108 -2.579 2.481 317 HA VAL 46 HA VAL 46 1.600 -0.996 0.574 318 HB VAL 46 HB VAL 46 3.032 -0.210 3.114 319 HG11 VAL 46 1HG1 VAL 46 1.426 1.408 1.157 320 HG12 VAL 46 2HG1 VAL 46 1.643 1.904 2.836 321 HG13 VAL 46 3HG1 VAL 46 3.044 1.727 1.779 322 HG21 VAL 46 3HG2 VAL 46 0.792 -1.645 2.973 323 HG22 VAL 46 1HG2 VAL 46 1.058 -0.427 4.220 324 HG23 VAL 46 2HG2 VAL 46 0.089 -0.038 2.799 325 H VAL 47 H VAL 47 2.692 -0.705 -1.296 326 HA VAL 47 HA VAL 47 5.519 0.017 -1.230 327 HB VAL 47 HB VAL 47 3.687 -0.510 -3.574 328 HG11 VAL 47 1HG1 VAL 47 6.152 0.856 -3.490 329 HG12 VAL 47 2HG1 VAL 47 6.465 -0.730 -4.199 330 HG13 VAL 47 3HG1 VAL 47 5.247 0.331 -4.909 331 HG21 VAL 47 3HG2 VAL 47 4.407 -2.666 -3.600 332 HG22 VAL 47 1HG2 VAL 47 5.980 -2.265 -2.912 333 HG23 VAL 47 2HG2 VAL 47 4.561 -2.365 -1.870 334 H PHE 48 H PHE 48 6.057 2.081 -1.044 335 HA PHE 48 HA PHE 48 4.314 4.107 -2.286 336 HB2 PHE 48 1HB PHE 48 5.134 5.678 -0.543 337 HB3 PHE 48 2HB PHE 48 4.234 4.321 0.125 338 HD1 PHE 48 2HD PHE 48 5.592 2.342 1.021 339 HD2 PHE 48 1HD PHE 48 7.260 6.178 0.235 340 HE1 PHE 48 2HE PHE 48 7.482 1.821 2.507 341 HE2 PHE 48 1HE PHE 48 9.153 5.663 1.719 342 HZ PHE 48 HZ PHE 48 9.266 3.482 2.858 343 H ARG 49 H ARG 49 5.243 5.691 -3.519 344 HA ARG 49 HA ARG 49 8.102 6.033 -3.628 345 HB2 ARG 49 1HB ARG 49 8.004 4.122 -5.051 346 HB3 ARG 49 2HB ARG 49 6.600 4.748 -5.905 347 HG2 ARG 49 1HG ARG 49 8.253 6.710 -6.495 348 HG3 ARG 49 2HG ARG 49 9.468 5.470 -6.178 349 HD2 ARG 49 1HD ARG 49 8.903 5.500 -8.534 350 HD3 ARG 49 2HD ARG 49 8.357 3.993 -7.799 351 HE ARG 49 HE ARG 49 6.156 5.512 -7.648 352 HH11 ARG 49 1HH1 ARG 49 8.355 4.869 -10.269 353 HH12 ARG 49 2HH1 ARG 49 7.148 5.048 -11.499 354 HH21 ARG 49 1HH2 ARG 49 4.557 5.751 -9.258 355 HH22 ARG 49 2HH2 ARG 49 4.988 5.551 -10.922 356 H ASP 50 H ASP 50 8.715 7.945 -4.620 357 HA ASP 50 HA ASP 50 6.629 9.906 -4.900 358 HB2 ASP 50 1HB ASP 50 9.623 9.963 -4.941 359 HB3 ASP 50 2HB ASP 50 8.724 11.346 -5.560 360 H ILE 51 H ILE 51 5.462 9.957 -6.708 361 HA ILE 51 HA ILE 51 6.135 8.890 -9.176 362 HB ILE 51 HB ILE 51 4.345 10.277 -10.130 363 HG12 ILE 51 1HG1 ILE 51 4.008 11.512 -7.402 364 HG13 ILE 51 2HG1 ILE 51 4.966 12.286 -8.660 365 HG21 ILE 51 1HG2 ILE 51 2.521 9.431 -8.746 366 HG22 ILE 51 2HG2 ILE 51 3.786 8.219 -8.940 367 HG23 ILE 51 3HG2 ILE 51 3.655 9.122 -7.431 368 HD11 ILE 51 3HD1 ILE 51 2.973 12.282 -10.117 369 HD12 ILE 51 1HD1 ILE 51 2.035 11.622 -8.777 370 HD13 ILE 51 2HD1 ILE 51 2.761 13.224 -8.641 371 H ASN 52 H ASN 52 7.348 11.684 -7.692 372 HA ASN 52 HA ASN 52 8.105 12.945 -10.215 373 HB2 ASN 52 1HB ASN 52 8.687 13.883 -7.400 374 HB3 ASN 52 2HB ASN 52 8.833 14.822 -8.882 375 HD21 ASN 52 1HD2 ASN 52 6.659 13.464 -6.548 376 HD22 ASN 52 2HD2 ASN 52 5.253 14.335 -7.047 377 H SER 53 H SER 53 9.401 10.945 -7.729 378 HA SER 53 HA SER 53 12.118 11.323 -8.802 379 HB2 SER 53 1HB SER 53 11.082 10.735 -6.075 380 HB3 SER 53 2HB SER 53 12.605 9.976 -6.539 381 HG SER 53 HG SER 53 12.338 12.368 -5.631 382 H GLN 54 H GLN 54 13.467 9.203 -8.384 383 HA GLN 54 HA GLN 54 11.909 6.986 -9.535 384 HB2 GLN 54 1HB GLN 54 14.794 7.781 -9.895 385 HB3 GLN 54 2HB GLN 54 14.179 6.207 -10.383 386 HG2 GLN 54 1HG GLN 54 12.808 8.662 -11.360 387 HG3 GLN 54 2HG GLN 54 14.339 8.180 -12.089 388 HE21 GLN 54 1HE2 GLN 54 14.401 6.468 -13.451 389 HE22 GLN 54 2HE2 GLN 54 13.008 5.572 -13.940 390 H GLN 55 H GLN 55 12.280 7.611 -6.680 391 HA GLN 55 HA GLN 55 13.919 5.339 -5.806 392 HB2 GLN 55 1HB GLN 55 14.492 7.385 -4.690 393 HB3 GLN 55 2HB GLN 55 12.807 7.712 -4.308 394 HG2 GLN 55 1HG GLN 55 13.929 6.954 -2.335 395 HG3 GLN 55 2HG GLN 55 12.783 5.719 -2.856 396 HE21 GLN 55 1HE2 GLN 55 13.624 3.868 -3.983 397 HE22 GLN 55 2HE2 GLN 55 15.235 3.330 -3.668 398 H GLU 56 H GLU 56 12.724 3.527 -5.882 399 HA GLU 56 HA GLU 56 9.935 3.576 -5.046 400 HB2 GLU 56 1HB GLU 56 10.883 2.297 -7.082 401 HB3 GLU 56 2HB GLU 56 11.454 1.127 -5.901 402 HG2 GLU 56 1HG GLU 56 9.300 0.513 -5.280 403 HG3 GLU 56 2HG GLU 56 8.586 1.973 -5.963 404 H LEU 57 H LEU 57 9.121 2.564 -3.258 405 HA LEU 57 HA LEU 57 10.851 0.968 -1.562 406 HB2 LEU 57 1HB LEU 57 9.532 3.429 -0.439 407 HB3 LEU 57 2HB LEU 57 10.629 2.324 0.387 408 HG LEU 57 HG LEU 57 11.525 3.966 -1.963 409 HD11 LEU 57 1HD1 LEU 57 11.782 4.795 0.916 410 HD12 LEU 57 2HD1 LEU 57 10.533 5.414 -0.163 411 HD13 LEU 57 3HD1 LEU 57 12.233 5.708 -0.523 412 HD21 LEU 57 3HD2 LEU 57 13.244 3.184 0.327 413 HD22 LEU 57 1HD2 LEU 57 13.637 3.340 -1.385 414 HD23 LEU 57 2HD2 LEU 57 12.758 1.924 -0.808 415 H GLN 58 H GLN 58 9.614 0.190 0.409 416 HA GLN 58 HA GLN 58 6.754 0.267 0.318 417 HB2 GLN 58 1HB GLN 58 6.324 -2.023 -0.244 418 HB3 GLN 58 2HB GLN 58 7.301 -1.327 -1.530 419 HG2 GLN 58 1HG GLN 58 9.301 -2.322 -0.251 420 HG3 GLN 58 2HG GLN 58 8.088 -3.300 0.573 421 HE21 GLN 58 1HE2 GLN 58 9.183 -5.115 -0.378 422 HE22 GLN 58 2HE2 GLN 58 8.836 -5.572 -2.007 423 H ASN 59 H ASN 59 5.800 -1.263 1.968 424 HA ASN 59 HA ASN 59 7.690 -1.960 4.094 425 HB2 ASN 59 1HB ASN 59 5.377 -0.055 4.315 426 HB3 ASN 59 2HB ASN 59 5.907 -0.981 5.716 427 HD21 ASN 59 1HD2 ASN 59 8.592 -1.003 5.466 428 HD22 ASN 59 2HD2 ASN 59 9.220 0.604 5.558 429 H ILE 60 H ILE 60 6.509 -3.184 5.890 430 HA ILE 60 HA ILE 60 4.309 -4.797 4.794 431 HB ILE 60 HB ILE 60 6.659 -5.951 6.297 432 HG12 ILE 60 1HG1 ILE 60 5.970 -6.180 3.359 433 HG13 ILE 60 2HG1 ILE 60 7.272 -5.195 4.018 434 HG21 ILE 60 1HG2 ILE 60 5.582 -7.927 6.339 435 HG22 ILE 60 2HG2 ILE 60 4.141 -6.924 6.180 436 HG23 ILE 60 3HG2 ILE 60 4.850 -7.680 4.754 437 HD11 ILE 60 3HD1 ILE 60 7.122 -8.159 4.451 438 HD12 ILE 60 1HD1 ILE 60 7.912 -7.437 3.049 439 HD13 ILE 60 2HD1 ILE 60 8.503 -7.084 4.673 440 H THR 61 H THR 61 2.688 -5.192 6.180 441 HA THR 61 HA THR 61 3.121 -5.030 9.052 442 HB THR 61 HB THR 61 2.632 -2.707 8.492 443 HG1 THR 61 1HG THR 61 1.482 -4.050 10.307 444 HG21 THR 61 3HG2 THR 61 0.980 -3.780 6.536 445 HG22 THR 61 1HG2 THR 61 1.126 -2.076 6.965 446 HG23 THR 61 2HG2 THR 61 -0.136 -3.065 7.699 447 H THR 62 H THR 62 1.639 -6.180 10.241 448 HA THR 62 HA THR 62 0.017 -8.054 8.763 449 HB THR 62 HB THR 62 -0.560 -8.891 11.112 450 HG1 THR 62 1HG THR 62 1.690 -7.416 11.951 451 HG21 THR 62 3HG2 THR 62 1.115 -9.968 9.695 452 HG22 THR 62 1HG2 THR 62 1.621 -9.981 11.383 453 HG23 THR 62 2HG2 THR 62 2.336 -8.828 10.257 454 H ASP 63 H ASP 63 -0.628 -5.057 9.125 455 HA ASP 63 HA ASP 63 -3.424 -5.461 9.966 456 HB2 ASP 63 1HB ASP 63 -1.503 -3.266 10.598 457 HB3 ASP 63 2HB ASP 63 -3.204 -2.852 10.398 458 H THR 64 H THR 64 -4.973 -3.972 8.946 459 HA THR 64 HA THR 64 -4.475 -3.815 6.111 460 HB THR 64 HB THR 64 -6.880 -2.671 6.303 461 HG1 THR 64 1HG THR 64 -7.926 -3.806 8.137 462 HG21 THR 64 3HG2 THR 64 -6.334 -5.619 6.671 463 HG22 THR 64 1HG2 THR 64 -6.425 -4.756 5.137 464 HG23 THR 64 2HG2 THR 64 -7.866 -4.927 6.140 465 H ARG 65 H ARG 65 -3.210 -1.961 8.240 466 HA ARG 65 HA ARG 65 -3.569 0.480 6.664 467 HB2 ARG 65 1HB ARG 65 -3.693 1.863 8.675 468 HB3 ARG 65 2HB ARG 65 -5.029 0.721 8.618 469 HG2 ARG 65 1HG ARG 65 -4.430 0.476 10.791 470 HG3 ARG 65 2HG ARG 65 -3.368 -0.736 10.072 471 HD2 ARG 65 1HD ARG 65 -1.488 0.609 10.270 472 HD3 ARG 65 2HD ARG 65 -2.439 2.089 10.382 473 HE ARG 65 HE ARG 65 -2.612 1.769 12.644 474 HH11 ARG 65 1HH1 ARG 65 -1.502 -1.172 11.148 475 HH12 ARG 65 2HH1 ARG 65 -1.157 -1.960 12.652 476 HH21 ARG 65 1HH2 ARG 65 -2.162 0.742 14.630 477 HH22 ARG 65 2HH2 ARG 65 -1.533 -0.871 14.632 478 H PHE 66 H PHE 66 -1.854 2.128 7.232 479 HA PHE 66 HA PHE 66 0.529 1.292 8.532 480 HB2 PHE 66 1HB PHE 66 0.590 -0.077 6.408 481 HB3 PHE 66 2HB PHE 66 0.719 1.439 5.521 482 HD1 PHE 66 1HD PHE 66 2.409 -0.810 7.886 483 HD2 PHE 66 2HD PHE 66 2.762 2.661 5.448 484 HE1 PHE 66 1HE PHE 66 4.850 -0.845 8.196 485 HE2 PHE 66 2HE PHE 66 5.203 2.631 5.754 486 HZ PHE 66 HZ PHE 66 6.250 0.877 7.128 487 H THR 67 H THR 67 2.224 2.906 8.425 488 HA THR 67 HA THR 67 1.323 5.510 7.391 489 HB THR 67 HB THR 67 2.564 5.020 10.105 490 HG1 THR 67 1HG THR 67 -0.003 5.188 9.227 491 HG21 THR 67 3HG2 THR 67 3.238 7.142 10.075 492 HG22 THR 67 1HG2 THR 67 1.573 7.661 9.815 493 HG23 THR 67 2HG2 THR 67 2.619 7.330 8.434 494 H LEU 68 H LEU 68 2.724 5.838 5.763 495 HA LEU 68 HA LEU 68 5.326 4.889 5.558 496 HB2 LEU 68 1HB LEU 68 4.002 7.299 4.341 497 HB3 LEU 68 2HB LEU 68 5.633 6.787 3.916 498 HG LEU 68 HG LEU 68 4.507 5.786 2.223 499 HD11 LEU 68 1HD1 LEU 68 4.084 3.437 2.697 500 HD12 LEU 68 2HD1 LEU 68 4.054 3.779 4.427 501 HD13 LEU 68 3HD1 LEU 68 5.547 3.988 3.513 502 HD21 LEU 68 3HD2 LEU 68 2.117 5.103 3.898 503 HD22 LEU 68 1HD2 LEU 68 2.233 5.296 2.149 504 HD23 LEU 68 2HD2 LEU 68 2.314 6.711 3.199 505 H THR 69 H THR 69 7.238 6.544 5.242 506 HA THR 69 HA THR 69 7.328 8.697 7.143 507 HB THR 69 HB THR 69 9.088 7.799 8.567 508 HG1 THR 69 1HG THR 69 8.670 5.327 7.208 509 HG21 THR 69 3HG2 THR 69 7.781 6.214 9.850 510 HG22 THR 69 1HG2 THR 69 6.751 5.889 8.457 511 HG23 THR 69 2HG2 THR 69 6.721 7.477 9.224 512 H GLY 70 H GLY 70 9.578 9.651 7.255 513 HA2 GLY 70 1HA GLY 70 11.345 10.601 6.140 514 HA3 GLY 70 2HA GLY 70 11.625 8.994 5.484 515 H LEU 71 H LEU 71 8.858 11.156 4.996 516 HA LEU 71 HA LEU 71 9.408 11.046 2.109 517 HB2 LEU 71 1HB LEU 71 6.787 11.848 3.316 518 HB3 LEU 71 2HB LEU 71 7.118 11.237 1.697 519 HG LEU 71 HG LEU 71 7.415 9.529 4.156 520 HD11 LEU 71 1HD1 LEU 71 5.221 9.261 4.338 521 HD12 LEU 71 2HD1 LEU 71 5.059 8.963 2.607 522 HD13 LEU 71 3HD1 LEU 71 5.016 10.614 3.225 523 HD21 LEU 71 3HD2 LEU 71 6.710 7.939 2.059 524 HD22 LEU 71 1HD2 LEU 71 8.365 8.234 2.593 525 HD23 LEU 71 2HD2 LEU 71 7.689 9.171 1.261 526 H LYS 72 H LYS 72 8.842 12.969 0.845 527 HA LYS 72 HA LYS 72 9.712 15.382 2.232 528 HB2 LYS 72 1HB LYS 72 10.651 14.523 -0.016 529 HB3 LYS 72 2HB LYS 72 9.170 15.162 -0.718 530 HG2 LYS 72 1HG LYS 72 9.713 17.382 0.015 531 HG3 LYS 72 2HG LYS 72 11.118 16.787 0.903 532 HD2 LYS 72 1HD LYS 72 12.079 17.580 -1.045 533 HD3 LYS 72 2HD LYS 72 11.859 15.868 -1.417 534 HE2 LYS 72 1HE LYS 72 9.666 17.763 -2.092 535 HE3 LYS 72 2HE LYS 72 11.111 17.761 -3.102 536 HZ1 LYS 72 3HZ LYS 72 9.697 16.230 -4.103 537 HZ2 LYS 72 1HZ LYS 72 9.194 15.563 -2.631 538 HZ3 LYS 72 2HZ LYS 72 10.753 15.255 -3.211 539 HA PRO 73 HA PRO 73 5.630 17.038 2.492 540 HB2 PRO 73 1HB PRO 73 6.296 19.642 2.876 541 HB3 PRO 73 2HB PRO 73 6.464 18.412 4.134 542 HG2 PRO 73 1HG PRO 73 8.545 19.549 2.308 543 HG3 PRO 73 2HG PRO 73 8.650 19.199 4.044 544 HD2 PRO 73 1HD PRO 73 9.683 17.551 2.160 545 HD3 PRO 73 2HD PRO 73 9.023 16.952 3.696 546 H ASP 74 H ASP 74 4.146 17.921 1.137 547 HA ASP 74 HA ASP 74 3.227 18.785 -0.756 548 HB2 ASP 74 1HB ASP 74 4.228 20.882 -0.052 549 HB3 ASP 74 2HB ASP 74 5.772 20.419 -0.761 550 H THR 75 H THR 75 4.343 16.352 -1.105 551 HA THR 75 HA THR 75 5.192 16.481 -3.891 552 HB THR 75 HB THR 75 6.789 15.079 -1.745 553 HG1 THR 75 1HG THR 75 7.711 17.006 -1.969 554 HG21 THR 75 3HG2 THR 75 8.076 14.014 -3.444 555 HG22 THR 75 1HG2 THR 75 7.237 14.893 -4.721 556 HG23 THR 75 2HG2 THR 75 6.383 13.661 -3.792 557 H THR 76 H THR 76 4.006 15.105 -5.029 558 HA THR 76 HA THR 76 2.139 13.351 -3.921 559 HB THR 76 HB THR 76 3.337 13.261 -6.697 560 HG1 THR 76 1HG THR 76 1.026 14.576 -5.664 561 HG21 THR 76 3HG2 THR 76 0.948 12.297 -7.130 562 HG22 THR 76 1HG2 THR 76 1.014 11.874 -5.420 563 HG23 THR 76 2HG2 THR 76 2.225 11.238 -6.533 564 H TYR 77 H TYR 77 2.230 11.311 -3.213 565 HA TYR 77 HA TYR 77 4.669 9.755 -3.770 566 HB2 TYR 77 1HB TYR 77 3.288 10.329 -1.201 567 HB3 TYR 77 2HB TYR 77 3.939 8.708 -1.416 568 HD1 TYR 77 1HD TYR 77 6.373 8.389 -1.759 569 HD2 TYR 77 2HD TYR 77 4.724 12.203 -0.843 570 HE1 TYR 77 1HE TYR 77 8.609 9.198 -1.131 571 HE2 TYR 77 2HE TYR 77 6.956 13.023 -0.214 572 HH TYR 77 HH TYR 77 9.751 10.868 -0.138 573 H ASP 78 H ASP 78 4.001 8.309 -5.244 574 HA ASP 78 HA ASP 78 1.402 7.222 -5.398 575 HB2 ASP 78 1HB ASP 78 2.757 7.224 -7.369 576 HB3 ASP 78 2HB ASP 78 4.037 6.321 -6.564 577 H ILE 79 H ILE 79 0.763 6.356 -3.445 578 HA ILE 79 HA ILE 79 2.324 4.088 -2.414 579 HB ILE 79 HB ILE 79 0.070 5.539 -1.027 580 HG12 ILE 79 1HG1 ILE 79 2.910 5.863 -0.188 581 HG13 ILE 79 2HG1 ILE 79 2.373 6.755 -1.607 582 HG21 ILE 79 1HG2 ILE 79 0.874 3.100 -0.452 583 HG22 ILE 79 2HG2 ILE 79 2.174 3.964 0.368 584 HG23 ILE 79 3HG2 ILE 79 0.496 4.258 0.823 585 HD11 ILE 79 3HD1 ILE 79 0.695 6.898 0.831 586 HD12 ILE 79 1HD1 ILE 79 2.231 7.764 0.825 587 HD13 ILE 79 2HD1 ILE 79 1.015 8.117 -0.403 588 H LYS 80 H LYS 80 1.532 2.069 -2.447 589 HA LYS 80 HA LYS 80 -1.308 1.674 -3.082 590 HB2 LYS 80 1HB LYS 80 -0.385 -0.351 -4.484 591 HB3 LYS 80 2HB LYS 80 -0.491 1.255 -5.193 592 HG2 LYS 80 1HG LYS 80 1.977 1.424 -4.232 593 HG3 LYS 80 2HG LYS 80 1.889 -0.329 -4.420 594 HD2 LYS 80 1HD LYS 80 1.110 1.548 -6.634 595 HD3 LYS 80 2HD LYS 80 2.780 1.028 -6.396 596 HE2 LYS 80 1HE LYS 80 1.983 -1.333 -6.519 597 HE3 LYS 80 2HE LYS 80 0.384 -0.721 -6.939 598 HZ1 LYS 80 3HZ LYS 80 1.684 0.515 -8.787 599 HZ2 LYS 80 1HZ LYS 80 1.302 -1.121 -8.989 600 HZ3 LYS 80 2HZ LYS 80 2.862 -0.669 -8.519 601 H VAL 81 H VAL 81 -1.545 -0.972 -3.085 602 HA VAL 81 HA VAL 81 -0.103 -2.153 -0.865 603 HB VAL 81 HB VAL 81 -2.230 -0.762 -0.078 604 HG11 VAL 81 1HG1 VAL 81 -4.253 -1.887 -0.093 605 HG12 VAL 81 2HG1 VAL 81 -3.612 -2.244 -1.698 606 HG13 VAL 81 3HG1 VAL 81 -3.501 -3.449 -0.415 607 HG21 VAL 81 3HG2 VAL 81 -2.081 -3.429 1.194 608 HG22 VAL 81 1HG2 VAL 81 -0.576 -2.516 1.086 609 HG23 VAL 81 2HG2 VAL 81 -1.972 -1.821 1.911 610 H ARG 82 H ARG 82 -0.669 -4.430 -0.540 611 HA ARG 82 HA ARG 82 -2.262 -5.722 -2.580 612 HB2 ARG 82 1HB ARG 82 -0.504 -7.058 -3.515 613 HB3 ARG 82 2HB ARG 82 -0.026 -5.371 -3.642 614 HG2 ARG 82 1HG ARG 82 1.631 -5.577 -2.060 615 HG3 ARG 82 2HG ARG 82 0.870 -6.973 -1.294 616 HD2 ARG 82 1HD ARG 82 2.578 -8.020 -2.389 617 HD3 ARG 82 2HD ARG 82 1.342 -8.077 -3.645 618 HE ARG 82 HE ARG 82 2.588 -5.783 -4.219 619 HH11 ARG 82 1HH1 ARG 82 3.824 -8.956 -3.494 620 HH12 ARG 82 2HH1 ARG 82 5.244 -8.768 -4.470 621 HH21 ARG 82 1HH2 ARG 82 4.452 -5.524 -5.507 622 HH22 ARG 82 2HH2 ARG 82 5.600 -6.815 -5.614 623 H ALA 83 H ALA 83 -2.973 -7.730 -1.975 624 HA ALA 83 HA ALA 83 -2.538 -8.446 0.801 625 HB1 ALA 83 3HB ALA 83 -4.643 -9.130 0.669 626 HB2 ALA 83 1HB ALA 83 -4.664 -8.713 -1.044 627 HB3 ALA 83 2HB ALA 83 -4.195 -10.336 -0.537 628 H TRP 84 H TRP 84 -1.655 -10.349 1.547 629 HA TRP 84 HA TRP 84 -0.231 -11.973 -0.460 630 HB2 TRP 84 1HB TRP 84 0.619 -11.133 2.313 631 HB3 TRP 84 2HB TRP 84 1.419 -12.423 1.418 632 HD1 TRP 84 HD TRP 84 0.535 -8.685 0.801 633 HE1 TRP 84 1HE TRP 84 2.500 -7.614 -0.470 634 HE3 TRP 84 3HE TRP 84 3.507 -12.811 0.279 635 HZ2 TRP 84 2HZ TRP 84 4.982 -8.413 -1.551 636 HZ3 TRP 84 3HZ TRP 84 5.661 -12.573 -0.887 637 HH2 TRP 84 HH TRP 84 6.381 -10.419 -1.783 638 H THR 85 H THR 85 -0.128 -14.205 -0.148 639 HA THR 85 HA THR 85 -1.938 -15.277 1.918 640 HB THR 85 HB THR 85 -2.483 -17.114 0.290 641 HG1 THR 85 1HG THR 85 -0.911 -15.448 -1.350 642 HG21 THR 85 3HG2 THR 85 -3.552 -14.984 -1.258 643 HG22 THR 85 1HG2 THR 85 -3.481 -14.453 0.421 644 HG23 THR 85 2HG2 THR 85 -4.347 -15.931 -0.001 645 H SER 86 H SER 86 -1.515 -17.531 2.515 646 HA SER 86 HA SER 86 1.007 -18.015 3.416 647 HB2 SER 86 1HB SER 86 -0.688 -19.411 4.265 648 HB3 SER 86 2HB SER 86 -1.198 -19.920 2.656 649 HG SER 86 HG SER 86 -0.017 -21.596 3.331 650 H LYS 87 H LYS 87 -0.139 -18.359 0.187 651 HA LYS 87 HA LYS 87 2.009 -20.073 -0.690 652 HB2 LYS 87 1HB LYS 87 -0.170 -18.570 -2.130 653 HB3 LYS 87 2HB LYS 87 1.086 -19.449 -2.991 654 HG2 LYS 87 1HG LYS 87 -0.498 -21.066 -2.922 655 HG3 LYS 87 2HG LYS 87 0.301 -21.403 -1.384 656 HD2 LYS 87 1HD LYS 87 -1.386 -19.970 -0.257 657 HD3 LYS 87 2HD LYS 87 -2.217 -19.794 -1.804 658 HE2 LYS 87 1HE LYS 87 -3.353 -21.518 -0.673 659 HE3 LYS 87 2HE LYS 87 -2.333 -22.328 -1.862 660 HZ1 LYS 87 3HZ LYS 87 -1.156 -21.920 0.764 661 HZ2 LYS 87 1HZ LYS 87 -1.061 -23.255 -0.271 662 HZ3 LYS 87 2HZ LYS 87 -2.431 -23.029 0.694 663 H GLY 88 H GLY 88 1.052 -16.735 -1.538 664 HA2 GLY 88 1HA GLY 88 3.707 -15.736 -1.249 665 HA3 GLY 88 2HA GLY 88 3.317 -16.012 -2.940 666 H SER 89 H SER 89 2.845 -14.147 -3.882 667 HA SER 89 HA SER 89 1.048 -12.292 -2.464 668 HB2 SER 89 1HB SER 89 2.253 -10.406 -3.363 669 HB3 SER 89 2HB SER 89 3.418 -11.469 -2.572 670 HG SER 89 HG SER 89 3.792 -12.359 -4.727 671 H GLY 90 H GLY 90 0.049 -10.675 -4.066 672 HA2 GLY 90 1HA GLY 90 -0.620 -12.079 -6.578 673 HA3 GLY 90 2HA GLY 90 -1.859 -11.337 -5.576 674 HA PRO 91 HA PRO 91 -1.044 -8.127 -8.664 675 HB2 PRO 91 1HB PRO 91 -3.442 -6.899 -8.324 676 HB3 PRO 91 2HB PRO 91 -3.232 -8.333 -9.336 677 HG2 PRO 91 1HG PRO 91 -4.251 -8.128 -6.529 678 HG3 PRO 91 2HG PRO 91 -4.868 -9.104 -7.874 679 HD2 PRO 91 1HD PRO 91 -3.317 -10.143 -5.913 680 HD3 PRO 91 2HD PRO 91 -3.273 -10.742 -7.583 681 H LEU 92 H LEU 92 -1.516 -5.647 -8.464 682 HA LEU 92 HA LEU 92 -0.853 -4.792 -5.723 683 HB2 LEU 92 1HB LEU 92 0.430 -4.174 -8.320 684 HB3 LEU 92 2HB LEU 92 0.290 -2.853 -7.162 685 HG LEU 92 HG LEU 92 1.517 -5.463 -6.352 686 HD11 LEU 92 1HD1 LEU 92 2.497 -4.125 -8.498 687 HD12 LEU 92 2HD1 LEU 92 3.471 -5.086 -7.386 688 HD13 LEU 92 3HD1 LEU 92 3.363 -3.339 -7.178 689 HD21 LEU 92 3HD2 LEU 92 1.256 -2.742 -5.279 690 HD22 LEU 92 1HD2 LEU 92 2.860 -3.457 -5.117 691 HD23 LEU 92 2HD2 LEU 92 1.455 -4.283 -4.442 692 H SER 93 H SER 93 -2.365 -3.530 -4.888 693 HA SER 93 HA SER 93 -4.598 -2.565 -6.191 694 HB2 SER 93 1HB SER 93 -5.143 -1.471 -4.210 695 HB3 SER 93 2HB SER 93 -4.018 -2.704 -3.642 696 HG SER 93 HG SER 93 -3.350 -0.012 -4.253 697 HA PRO 94 HA PRO 94 -3.421 1.004 -8.457 698 HB2 PRO 94 1HB PRO 94 -5.626 2.563 -8.178 699 HB3 PRO 94 2HB PRO 94 -5.596 1.112 -9.188 700 HG2 PRO 94 1HG PRO 94 -6.652 1.464 -6.409 701 HG3 PRO 94 2HG PRO 94 -7.365 0.585 -7.774 702 HD2 PRO 94 1HD PRO 94 -6.033 -0.663 -5.774 703 HD3 PRO 94 2HD PRO 94 -6.029 -1.264 -7.445 704 H SER 95 H SER 95 -1.870 2.319 -7.725 705 HA SER 95 HA SER 95 -1.524 3.350 -5.217 706 HB2 SER 95 1HB SER 95 -0.368 5.321 -6.632 707 HB3 SER 95 2HB SER 95 0.352 3.719 -6.469 708 HG SER 95 HG SER 95 -0.900 4.902 -8.662 709 H ILE 96 H ILE 96 -1.794 5.478 -4.318 710 HA ILE 96 HA ILE 96 -4.257 6.778 -5.273 711 HB ILE 96 HB ILE 96 -4.245 7.760 -2.884 712 HG12 ILE 96 1HG1 ILE 96 -2.449 5.355 -2.492 713 HG13 ILE 96 2HG1 ILE 96 -1.963 7.037 -2.311 714 HG21 ILE 96 1HG2 ILE 96 -5.625 6.018 -2.124 715 HG22 ILE 96 2HG2 ILE 96 -5.760 5.975 -3.881 716 HG23 ILE 96 3HG2 ILE 96 -4.741 4.802 -3.046 717 HD11 ILE 96 3HD1 ILE 96 -3.411 5.283 -0.476 718 HD12 ILE 96 1HD1 ILE 96 -2.393 6.686 -0.149 719 HD13 ILE 96 2HD1 ILE 96 -4.078 6.909 -0.620 720 H GLN 97 H GLN 97 -0.908 7.246 -4.544 721 HA GLN 97 HA GLN 97 0.505 9.005 -4.828 722 HB2 GLN 97 1HB GLN 97 -1.750 9.643 -6.662 723 HB3 GLN 97 2HB GLN 97 -0.590 10.921 -6.324 724 HG2 GLN 97 1HG GLN 97 1.087 9.892 -7.446 725 HG3 GLN 97 2HG GLN 97 0.498 8.274 -7.069 726 HE21 GLN 97 1HE2 GLN 97 -0.019 7.227 -8.840 727 HE22 GLN 97 2HE2 GLN 97 -0.814 7.887 -10.224 728 H SER 98 H SER 98 -0.675 9.018 -2.429 729 HA SER 98 HA SER 98 -2.056 11.443 -1.831 730 HB2 SER 98 1HB SER 98 -2.069 9.218 -0.512 731 HB3 SER 98 2HB SER 98 -0.565 9.799 0.203 732 HG SER 98 HG SER 98 -2.140 11.815 0.414 733 H ARG 99 H ARG 99 -0.962 13.269 -2.340 734 HA ARG 99 HA ARG 99 1.834 13.604 -1.899 735 HB2 ARG 99 1HB ARG 99 0.794 14.862 -3.656 736 HB3 ARG 99 2HB ARG 99 -0.370 15.563 -2.540 737 HG2 ARG 99 1HG ARG 99 1.355 16.846 -1.464 738 HG3 ARG 99 2HG ARG 99 2.597 16.055 -2.436 739 HD2 ARG 99 1HD ARG 99 2.320 18.017 -3.596 740 HD3 ARG 99 2HD ARG 99 1.183 16.967 -4.440 741 HE ARG 99 HE ARG 99 0.549 19.227 -2.748 742 HH11 ARG 99 1HH1 ARG 99 -0.609 16.343 -4.317 743 HH12 ARG 99 2HH1 ARG 99 -2.269 16.839 -4.293 744 HH21 ARG 99 1HH2 ARG 99 -1.633 19.891 -2.710 745 HH22 ARG 99 2HH2 ARG 99 -2.850 18.858 -3.379 746 H THR 100 H THR 100 2.722 13.781 0.044 747 HA THR 100 HA THR 100 1.560 14.102 2.469 748 HB THR 100 HB THR 100 3.699 15.013 3.316 749 HG1 THR 100 1HG THR 100 4.074 15.481 0.581 750 HG21 THR 100 3HG2 THR 100 5.158 13.154 2.124 751 HG22 THR 100 1HG2 THR 100 3.585 12.653 1.505 752 HG23 THR 100 2HG2 THR 100 3.864 12.729 3.245 753 H MET 101 H MET 101 1.293 15.855 3.948 754 HA MET 101 HA MET 101 0.027 18.113 2.822 755 HB2 MET 101 1HB MET 101 -0.552 18.677 4.971 756 HB3 MET 101 2HB MET 101 -0.191 16.970 5.192 757 HG2 MET 101 1HG MET 101 1.977 17.484 6.075 758 HG3 MET 101 2HG MET 101 1.766 19.194 5.707 759 HE1 MET 101 3HE MET 101 -1.267 17.294 8.577 760 HE2 MET 101 1HE MET 101 -1.455 17.487 6.834 761 HE3 MET 101 2HE MET 101 -0.299 16.318 7.472 762 HA PRO 102 HA PRO 102 3.461 20.773 2.060 763 HB2 PRO 102 1HB PRO 102 2.119 23.131 1.960 764 HB3 PRO 102 2HB PRO 102 2.051 21.931 0.664 765 HG2 PRO 102 1HG PRO 102 0.090 22.455 2.863 766 HG3 PRO 102 2HG PRO 102 -0.214 22.135 1.146 767 HD2 PRO 102 1HD PRO 102 -0.479 20.230 3.052 768 HD3 PRO 102 2HD PRO 102 0.041 19.858 1.396 769 H VAL 103 H VAL 103 4.616 20.603 4.006 770 HA VAL 103 HA VAL 103 4.022 21.515 6.501 771 HB VAL 103 HB VAL 103 6.082 20.357 6.140 772 HG11 VAL 103 1HG1 VAL 103 7.795 22.308 5.017 773 HG12 VAL 103 2HG1 VAL 103 7.326 20.746 4.343 774 HG13 VAL 103 3HG1 VAL 103 6.376 22.187 3.978 775 HG21 VAL 103 3HG2 VAL 103 7.435 22.801 6.883 776 HG22 VAL 103 1HG2 VAL 103 5.869 22.662 7.682 777 HG23 VAL 103 2HG2 VAL 103 7.065 21.378 7.858 Start of MODEL 12 1 H1 GLY 1 H GLY 1 9.927 -11.324 -12.474 2 HA2 GLY 1 1HA GLY 1 9.542 -13.348 -11.458 3 HA3 GLY 1 2HA GLY 1 11.237 -13.266 -10.999 4 H SER 2 H SER 2 7.952 -12.708 -9.982 5 HA SER 2 HA SER 2 8.816 -11.923 -7.306 6 HB2 SER 2 1HB SER 2 5.996 -12.215 -8.366 7 HB3 SER 2 2HB SER 2 6.490 -11.414 -6.874 8 HG SER 2 HG SER 2 6.921 -10.597 -9.544 9 H SER 3 H SER 3 8.038 -13.024 -5.418 10 HA SER 3 HA SER 3 8.076 -15.897 -5.756 11 HB2 SER 3 1HB SER 3 8.392 -16.020 -3.393 12 HB3 SER 3 2HB SER 3 9.350 -14.647 -3.949 13 HG SER 3 HG SER 3 8.273 -13.604 -2.476 14 H GLY 4 H GLY 4 5.788 -14.837 -6.882 15 HA2 GLY 4 1HA GLY 4 3.734 -15.960 -5.095 16 HA3 GLY 4 2HA GLY 4 3.455 -14.415 -5.883 17 H SER 5 H SER 5 3.282 -17.801 -6.172 18 HA SER 5 HA SER 5 2.706 -17.599 -9.050 19 HB2 SER 5 1HB SER 5 4.483 -19.216 -8.357 20 HB3 SER 5 2HB SER 5 3.264 -20.101 -7.441 21 HG SER 5 HG SER 5 2.924 -21.094 -9.258 22 H SER 6 H SER 6 1.507 -18.947 -6.003 23 HA SER 6 HA SER 6 -1.156 -19.180 -7.245 24 HB2 SER 6 1HB SER 6 -0.224 -21.368 -6.604 25 HB3 SER 6 2HB SER 6 -0.024 -20.797 -4.948 26 HG SER 6 HG SER 6 -1.943 -21.852 -4.970 27 H GLY 7 H GLY 7 -0.346 -16.740 -6.249 28 HA2 GLY 7 1HA GLY 7 -1.323 -16.465 -3.530 29 HA3 GLY 7 2HA GLY 7 -0.700 -15.178 -4.552 30 HA PRO 8 HA PRO 8 -5.306 -14.698 -4.206 31 HB2 PRO 8 1HB PRO 8 -5.227 -12.044 -3.640 32 HB3 PRO 8 2HB PRO 8 -5.110 -13.295 -2.397 33 HG2 PRO 8 1HG PRO 8 -2.931 -11.707 -3.698 34 HG3 PRO 8 2HG PRO 8 -3.138 -12.132 -1.989 35 HD2 PRO 8 1HD PRO 8 -1.441 -13.464 -3.625 36 HD3 PRO 8 2HD PRO 8 -2.292 -14.256 -2.284 37 H SER 9 H SER 9 -6.667 -13.809 -5.739 38 HA SER 9 HA SER 9 -5.327 -12.552 -8.039 39 HB2 SER 9 1HB SER 9 -6.388 -14.771 -8.455 40 HB3 SER 9 2HB SER 9 -7.946 -14.072 -8.013 41 HG SER 9 HG SER 9 -7.091 -12.437 -9.771 42 H GLY 10 H GLY 10 -5.933 -10.857 -5.999 43 HA2 GLY 10 1HA GLY 10 -7.569 -8.935 -7.267 44 HA3 GLY 10 2HA GLY 10 -8.480 -9.711 -5.980 45 H PHE 11 H PHE 11 -7.770 -6.954 -6.087 46 HA PHE 11 HA PHE 11 -5.824 -6.764 -3.886 47 HB2 PHE 11 1HB PHE 11 -5.847 -4.263 -4.604 48 HB3 PHE 11 2HB PHE 11 -4.961 -5.425 -5.586 49 HD1 PHE 11 2HD PHE 11 -5.981 -6.265 -7.702 50 HD2 PHE 11 1HD PHE 11 -7.656 -3.043 -5.482 51 HE1 PHE 11 2HE PHE 11 -7.273 -5.578 -9.680 52 HE2 PHE 11 1HE PHE 11 -8.952 -2.352 -7.456 53 HZ PHE 11 HZ PHE 11 -8.760 -3.619 -9.559 54 HA PRO 12 HA PRO 12 -8.892 -5.333 -1.095 55 HB2 PRO 12 1HB PRO 12 -7.528 -3.471 0.333 56 HB3 PRO 12 2HB PRO 12 -7.238 -5.207 0.494 57 HG2 PRO 12 1HG PRO 12 -5.706 -3.167 -1.074 58 HG3 PRO 12 2HG PRO 12 -5.096 -4.487 -0.059 59 HD2 PRO 12 1HD PRO 12 -5.208 -4.658 -2.759 60 HD3 PRO 12 2HD PRO 12 -5.419 -6.069 -1.703 61 H GLN 13 H GLN 13 -9.841 -3.220 -0.159 62 HA GLN 13 HA GLN 13 -9.856 -1.109 -2.206 63 HB2 GLN 13 1HB GLN 13 -12.387 -1.813 -0.780 64 HB3 GLN 13 2HB GLN 13 -12.166 -1.043 -2.345 65 HG2 GLN 13 1HG GLN 13 -11.366 -3.892 -1.930 66 HG3 GLN 13 2HG GLN 13 -13.048 -3.462 -2.238 67 HE21 GLN 13 1HE2 GLN 13 -11.803 -5.086 -3.982 68 HE22 GLN 13 2HE2 GLN 13 -11.480 -4.259 -5.464 69 H ASN 14 H ASN 14 -11.312 0.798 -1.231 70 HA ASN 14 HA ASN 14 -11.443 2.489 0.284 71 HB2 ASN 14 1HB ASN 14 -11.311 0.067 2.006 72 HB3 ASN 14 2HB ASN 14 -11.026 1.621 2.783 73 HD21 ASN 14 1HD2 ASN 14 -13.225 0.430 0.261 74 HD22 ASN 14 2HD2 ASN 14 -14.665 1.048 0.990 75 H LEU 15 H LEU 15 -8.868 1.632 -0.923 76 HA LEU 15 HA LEU 15 -6.825 2.121 1.025 77 HB2 LEU 15 1HB LEU 15 -6.552 0.753 -1.057 78 HB3 LEU 15 2HB LEU 15 -6.596 2.257 -1.975 79 HG LEU 15 HG LEU 15 -4.562 2.998 -0.755 80 HD11 LEU 15 1HD1 LEU 15 -3.303 0.936 0.265 81 HD12 LEU 15 2HD1 LEU 15 -4.940 0.341 0.536 82 HD13 LEU 15 3HD1 LEU 15 -4.433 1.877 1.239 83 HD21 LEU 15 3HD2 LEU 15 -4.030 2.203 -2.843 84 HD22 LEU 15 1HD2 LEU 15 -4.623 0.578 -2.496 85 HD23 LEU 15 2HD2 LEU 15 -3.085 1.118 -1.822 86 H HIS 16 H HIS 16 -6.601 4.061 1.924 87 HA HIS 16 HA HIS 16 -6.058 6.357 0.298 88 HB2 HIS 16 1HB HIS 16 -7.874 7.739 1.472 89 HB3 HIS 16 2HB HIS 16 -8.387 6.674 0.167 90 HD1 HIS 16 1HD HIS 16 -10.140 4.974 0.713 91 HD2 HIS 16 2HD HIS 16 -8.478 6.690 4.112 92 HE1 HIS 16 1HE HIS 16 -11.527 4.136 2.636 93 HE2 HIS 16 2HE HIS 16 -10.555 5.255 4.673 94 H VAL 17 H VAL 17 -6.113 8.390 1.983 95 HA VAL 17 HA VAL 17 -4.458 7.481 4.241 96 HB VAL 17 HB VAL 17 -4.479 10.136 2.801 97 HG11 VAL 17 1HG1 VAL 17 -3.814 10.939 4.792 98 HG12 VAL 17 2HG1 VAL 17 -3.419 9.338 5.421 99 HG13 VAL 17 3HG1 VAL 17 -2.274 10.184 4.380 100 HG21 VAL 17 3HG2 VAL 17 -2.438 7.920 2.942 101 HG22 VAL 17 1HG2 VAL 17 -3.370 8.416 1.529 102 HG23 VAL 17 2HG2 VAL 17 -2.157 9.500 2.211 103 H THR 18 H THR 18 -5.255 7.695 6.218 104 HA THR 18 HA THR 18 -7.721 9.141 6.649 105 HB THR 18 HB THR 18 -7.301 6.925 7.707 106 HG1 THR 18 1HG THR 18 -7.657 9.050 9.576 107 HG21 THR 18 3HG2 THR 18 -4.918 8.263 8.596 108 HG22 THR 18 1HG2 THR 18 -5.348 6.557 8.717 109 HG23 THR 18 2HG2 THR 18 -5.838 7.682 9.984 110 H GLY 19 H GLY 19 -4.359 9.723 7.026 111 HA2 GLY 19 1HA GLY 19 -4.741 12.424 7.758 112 HA3 GLY 19 2HA GLY 19 -4.307 11.493 9.184 113 H LEU 20 H LEU 20 -3.248 12.353 5.923 114 HA LEU 20 HA LEU 20 -0.660 11.262 6.101 115 HB2 LEU 20 1HB LEU 20 -0.269 12.228 4.079 116 HB3 LEU 20 2HB LEU 20 -2.031 12.259 4.091 117 HG LEU 20 HG LEU 20 -0.125 14.545 4.515 118 HD11 LEU 20 1HD1 LEU 20 -1.361 13.549 2.261 119 HD12 LEU 20 2HD1 LEU 20 -0.687 15.167 2.453 120 HD13 LEU 20 3HD1 LEU 20 -2.403 14.886 2.748 121 HD21 LEU 20 3HD2 LEU 20 -2.652 15.614 4.628 122 HD22 LEU 20 1HD2 LEU 20 -1.574 15.368 6.002 123 HD23 LEU 20 2HD2 LEU 20 -2.797 14.158 5.614 124 H THR 21 H THR 21 1.328 12.786 5.877 125 HA THR 21 HA THR 21 1.179 15.069 7.694 126 HB THR 21 HB THR 21 3.364 13.059 8.137 127 HG1 THR 21 1HG THR 21 2.105 11.900 9.455 128 HG21 THR 21 3HG2 THR 21 3.125 14.105 10.475 129 HG22 THR 21 1HG2 THR 21 2.151 15.338 9.674 130 HG23 THR 21 2HG2 THR 21 3.832 15.095 9.198 131 H THR 22 H THR 22 3.219 16.328 7.713 132 HA THR 22 HA THR 22 4.054 17.006 5.156 133 HB THR 22 HB THR 22 5.817 18.326 6.188 134 HG1 THR 22 1HG THR 22 6.574 16.865 7.741 135 HG21 THR 22 3HG2 THR 22 3.625 19.283 6.344 136 HG22 THR 22 1HG2 THR 22 4.445 19.564 7.880 137 HG23 THR 22 2HG2 THR 22 3.234 18.289 7.747 138 H SER 23 H SER 23 5.703 14.983 7.568 139 HA SER 23 HA SER 23 7.642 14.183 5.515 140 HB2 SER 23 1HB SER 23 7.692 13.874 8.525 141 HB3 SER 23 2HB SER 23 8.928 13.233 7.442 142 HG SER 23 HG SER 23 8.825 15.643 6.700 143 H THR 24 H THR 24 5.276 12.907 7.792 144 HA THR 24 HA THR 24 5.635 10.223 6.652 145 HB THR 24 HB THR 24 4.587 9.317 8.574 146 HG1 THR 24 1HG THR 24 4.031 11.536 10.014 147 HG21 THR 24 3HG2 THR 24 6.853 9.944 9.045 148 HG22 THR 24 1HG2 THR 24 5.880 10.324 10.466 149 HG23 THR 24 2HG2 THR 24 6.378 11.612 9.369 150 H THR 25 H THR 25 3.487 8.938 6.621 151 HA THR 25 HA THR 25 1.173 10.532 5.882 152 HB THR 25 HB THR 25 2.748 8.923 3.906 153 HG1 THR 25 1HG THR 25 1.960 10.785 2.607 154 HG21 THR 25 3HG2 THR 25 0.757 8.861 2.437 155 HG22 THR 25 1HG2 THR 25 -0.227 9.431 3.785 156 HG23 THR 25 2HG2 THR 25 0.570 7.860 3.877 157 H GLU 26 H GLU 26 -0.447 9.610 6.941 158 HA GLU 26 HA GLU 26 -0.334 6.863 7.784 159 HB2 GLU 26 1HB GLU 26 -2.389 9.044 8.103 160 HB3 GLU 26 2HB GLU 26 -2.664 7.404 8.675 161 HG2 GLU 26 1HG GLU 26 -0.607 7.610 10.057 162 HG3 GLU 26 2HG GLU 26 -0.514 9.304 9.576 163 H LEU 27 H LEU 27 -1.942 5.261 7.311 164 HA LEU 27 HA LEU 27 -3.465 5.685 4.842 165 HB2 LEU 27 1HB LEU 27 -1.711 3.288 5.353 166 HB3 LEU 27 2HB LEU 27 -2.735 3.551 3.943 167 HG LEU 27 HG LEU 27 -0.324 5.210 4.678 168 HD11 LEU 27 1HD1 LEU 27 -0.680 3.090 2.563 169 HD12 LEU 27 2HD1 LEU 27 0.317 2.963 4.012 170 HD13 LEU 27 3HD1 LEU 27 0.735 4.126 2.754 171 HD21 LEU 27 3HD2 LEU 27 -0.906 6.639 3.072 172 HD22 LEU 27 1HD2 LEU 27 -2.499 5.884 3.105 173 HD23 LEU 27 2HD2 LEU 27 -1.289 5.336 1.946 174 H ALA 28 H ALA 28 -5.055 3.910 4.459 175 HA ALA 28 HA ALA 28 -5.767 2.139 6.566 176 HB1 ALA 28 3HB ALA 28 -7.226 4.750 6.365 177 HB2 ALA 28 1HB ALA 28 -8.014 3.304 6.997 178 HB3 ALA 28 2HB ALA 28 -6.578 3.947 7.795 179 H TRP 29 H TRP 29 -6.291 0.490 5.276 180 HA TRP 29 HA TRP 29 -8.320 0.964 3.196 181 HB2 TRP 29 1HB TRP 29 -7.229 -0.746 1.804 182 HB3 TRP 29 2HB TRP 29 -6.145 0.603 2.133 183 HD1 TRP 29 HD TRP 29 -6.584 -3.118 2.797 184 HE1 TRP 29 1HE TRP 29 -4.417 -4.042 3.834 185 HE3 TRP 29 3HE TRP 29 -4.129 1.292 3.613 186 HZ2 TRP 29 2HZ TRP 29 -1.989 -3.035 4.863 187 HZ3 TRP 29 3HZ TRP 29 -1.889 1.224 4.628 188 HH2 TRP 29 HH TRP 29 -0.843 -0.896 5.240 189 H ASP 30 H ASP 30 -9.047 -1.433 2.428 190 HA ASP 30 HA ASP 30 -9.679 -2.938 4.880 191 HB2 ASP 30 1HB ASP 30 -11.479 -1.836 2.798 192 HB3 ASP 30 2HB ASP 30 -11.848 -3.461 3.369 193 HA PRO 31 HA PRO 31 -8.456 -6.627 2.850 194 HB2 PRO 31 1HB PRO 31 -10.349 -8.414 3.621 195 HB3 PRO 31 2HB PRO 31 -9.118 -7.783 4.722 196 HG2 PRO 31 1HG PRO 31 -11.972 -6.943 4.391 197 HG3 PRO 31 2HG PRO 31 -11.043 -7.186 5.882 198 HD2 PRO 31 1HD PRO 31 -11.500 -4.732 4.834 199 HD3 PRO 31 2HD PRO 31 -10.018 -5.127 5.727 200 HA PRO 32 HA PRO 32 -10.539 -7.045 -1.010 201 HB2 PRO 32 1HB PRO 32 -9.625 -9.485 -1.774 202 HB3 PRO 32 2HB PRO 32 -8.615 -8.034 -1.784 203 HG2 PRO 32 1HG PRO 32 -8.766 -10.224 0.252 204 HG3 PRO 32 2HG PRO 32 -7.337 -9.409 -0.411 205 HD2 PRO 32 1HD PRO 32 -8.380 -8.784 2.009 206 HD3 PRO 32 2HD PRO 32 -7.582 -7.582 0.974 207 H VAL 33 H VAL 33 -12.371 -7.931 -1.897 208 HA VAL 33 HA VAL 33 -14.241 -9.161 -0.232 209 HB VAL 33 HB VAL 33 -15.426 -9.732 -2.439 210 HG11 VAL 33 1HG1 VAL 33 -15.331 -6.987 -2.830 211 HG12 VAL 33 2HG1 VAL 33 -16.432 -7.862 -1.764 212 HG13 VAL 33 3HG1 VAL 33 -14.927 -7.199 -1.127 213 HG21 VAL 33 3HG2 VAL 33 -13.857 -7.796 -3.912 214 HG22 VAL 33 1HG2 VAL 33 -12.905 -9.217 -3.480 215 HG23 VAL 33 2HG2 VAL 33 -14.403 -9.403 -4.392 216 H LEU 34 H LEU 34 -14.526 -11.193 0.404 217 HA LEU 34 HA LEU 34 -12.870 -13.268 0.218 218 HB2 LEU 34 1HB LEU 34 -14.605 -14.715 0.804 219 HB3 LEU 34 2HB LEU 34 -15.114 -13.138 1.403 220 HG LEU 34 HG LEU 34 -16.080 -14.038 -1.270 221 HD11 LEU 34 1HD1 LEU 34 -17.411 -15.666 -0.530 222 HD12 LEU 34 2HD1 LEU 34 -17.855 -14.764 0.919 223 HD13 LEU 34 3HD1 LEU 34 -16.367 -15.710 0.891 224 HD21 LEU 34 3HD2 LEU 34 -16.491 -11.756 -0.252 225 HD22 LEU 34 1HD2 LEU 34 -17.514 -12.573 0.929 226 HD23 LEU 34 2HD2 LEU 34 -17.919 -12.643 -0.786 227 H ALA 35 H ALA 35 -15.046 -12.245 -2.326 228 HA ALA 35 HA ALA 35 -14.793 -14.512 -3.992 229 HB1 ALA 35 3HB ALA 35 -15.797 -11.753 -4.284 230 HB2 ALA 35 1HB ALA 35 -15.310 -12.568 -5.771 231 HB3 ALA 35 2HB ALA 35 -16.541 -13.288 -4.732 232 H GLU 36 H GLU 36 -13.413 -11.281 -4.609 233 HA GLU 36 HA GLU 36 -11.597 -12.029 -6.544 234 HB2 GLU 36 1HB GLU 36 -10.753 -9.908 -6.390 235 HB3 GLU 36 2HB GLU 36 -12.263 -9.678 -5.518 236 HG2 GLU 36 1HG GLU 36 -11.067 -9.995 -3.398 237 HG3 GLU 36 2HG GLU 36 -9.557 -10.164 -4.292 238 H ARG 37 H ARG 37 -11.089 -11.849 -3.033 239 HA ARG 37 HA ARG 37 -8.383 -12.764 -3.180 240 HB2 ARG 37 1HB ARG 37 -8.852 -13.144 -0.631 241 HB3 ARG 37 2HB ARG 37 -8.737 -11.512 -1.275 242 HG2 ARG 37 1HG ARG 37 -10.956 -11.090 -0.991 243 HG3 ARG 37 2HG ARG 37 -11.416 -12.781 -1.194 244 HD2 ARG 37 1HD ARG 37 -9.940 -11.719 1.208 245 HD3 ARG 37 2HD ARG 37 -11.694 -11.874 1.127 246 HE ARG 37 HE ARG 37 -10.334 -14.315 0.504 247 HH11 ARG 37 1HH1 ARG 37 -11.484 -12.295 3.096 248 HH12 ARG 37 2HH1 ARG 37 -11.622 -13.600 4.227 249 HH21 ARG 37 1HH2 ARG 37 -10.512 -16.042 1.984 250 HH22 ARG 37 2HH2 ARG 37 -11.068 -15.731 3.593 251 H ASN 38 H ASN 38 -8.338 -14.718 -4.264 252 HA ASN 38 HA ASN 38 -9.903 -16.883 -4.214 253 HB2 ASN 38 1HB ASN 38 -6.908 -16.686 -4.167 254 HB3 ASN 38 2HB ASN 38 -7.688 -18.265 -4.186 255 HD21 ASN 38 1HD2 ASN 38 -6.029 -16.770 -6.171 256 HD22 ASN 38 2HD2 ASN 38 -6.958 -16.798 -7.627 257 H GLY 39 H GLY 39 -7.219 -16.602 -1.871 258 HA2 GLY 39 1HA GLY 39 -8.813 -18.270 -0.027 259 HA3 GLY 39 2HA GLY 39 -7.056 -18.230 -0.064 260 H ARG 40 H ARG 40 -6.954 -17.738 2.150 261 HA ARG 40 HA ARG 40 -8.194 -15.299 3.108 262 HB2 ARG 40 1HB ARG 40 -6.599 -17.502 4.368 263 HB3 ARG 40 2HB ARG 40 -6.803 -15.975 5.216 264 HG2 ARG 40 1HG ARG 40 -9.170 -17.459 4.148 265 HG3 ARG 40 2HG ARG 40 -8.445 -17.893 5.697 266 HD2 ARG 40 1HD ARG 40 -8.776 -15.611 6.497 267 HD3 ARG 40 2HD ARG 40 -9.472 -15.159 4.942 268 HE ARG 40 HE ARG 40 -11.427 -16.256 5.516 269 HH11 ARG 40 1HH1 ARG 40 -8.948 -16.856 7.886 270 HH12 ARG 40 2HH1 ARG 40 -10.039 -17.541 9.044 271 HH21 ARG 40 1HH2 ARG 40 -12.873 -17.156 7.033 272 HH22 ARG 40 2HH2 ARG 40 -12.271 -17.712 8.558 273 H ILE 41 H ILE 41 -6.591 -14.000 4.659 274 HA ILE 41 HA ILE 41 -4.224 -13.330 3.035 275 HB ILE 41 HB ILE 41 -5.609 -11.334 4.797 276 HG12 ILE 41 1HG1 ILE 41 -7.300 -12.220 3.235 277 HG13 ILE 41 2HG1 ILE 41 -6.886 -10.549 2.868 278 HG21 ILE 41 1HG2 ILE 41 -3.542 -10.512 4.156 279 HG22 ILE 41 2HG2 ILE 41 -3.627 -11.256 2.560 280 HG23 ILE 41 3HG2 ILE 41 -4.613 -9.841 2.926 281 HD11 ILE 41 3HD1 ILE 41 -5.339 -11.417 1.107 282 HD12 ILE 41 1HD1 ILE 41 -6.014 -13.020 1.400 283 HD13 ILE 41 2HD1 ILE 41 -7.052 -11.719 0.815 284 H ILE 42 H ILE 42 -2.321 -12.776 4.104 285 HA ILE 42 HA ILE 42 -2.272 -13.419 6.981 286 HB ILE 42 HB ILE 42 0.111 -14.126 6.600 287 HG12 ILE 42 1HG1 ILE 42 -0.753 -14.002 3.703 288 HG13 ILE 42 2HG1 ILE 42 0.482 -13.003 4.461 289 HG21 ILE 42 1HG2 ILE 42 -0.775 -16.157 6.693 290 HG22 ILE 42 2HG2 ILE 42 -2.311 -15.512 6.118 291 HG23 ILE 42 3HG2 ILE 42 -1.115 -16.101 4.964 292 HD11 ILE 42 3HD1 ILE 42 0.570 -15.929 3.829 293 HD12 ILE 42 1HD1 ILE 42 1.656 -14.647 3.293 294 HD13 ILE 42 2HD1 ILE 42 1.687 -15.186 4.973 295 H SER 43 H SER 43 -1.191 -11.295 4.437 296 HA SER 43 HA SER 43 -0.745 -9.138 6.199 297 HB2 SER 43 1HB SER 43 1.755 -8.924 5.717 298 HB3 SER 43 2HB SER 43 1.285 -10.160 6.884 299 HG SER 43 HG SER 43 2.822 -10.663 5.016 300 H TYR 44 H TYR 44 0.422 -7.287 4.999 301 HA TYR 44 HA TYR 44 -0.129 -7.447 2.114 302 HB2 TYR 44 1HB TYR 44 -0.890 -5.168 3.952 303 HB3 TYR 44 2HB TYR 44 -1.060 -5.160 2.200 304 HD1 TYR 44 2HD TYR 44 -2.070 -7.233 5.144 305 HD2 TYR 44 1HD TYR 44 -3.120 -5.704 1.314 306 HE1 TYR 44 2HE TYR 44 -4.305 -8.236 5.362 307 HE2 TYR 44 1HE TYR 44 -5.358 -6.702 1.522 308 HH TYR 44 HH TYR 44 -6.706 -7.960 2.758 309 H THR 45 H THR 45 0.869 -5.574 0.915 310 HA THR 45 HA THR 45 3.394 -4.729 2.173 311 HB THR 45 HB THR 45 3.062 -5.700 -0.673 312 HG1 THR 45 1HG THR 45 3.260 -7.220 1.256 313 HG21 THR 45 3HG2 THR 45 4.848 -4.440 -1.126 314 HG22 THR 45 1HG2 THR 45 5.770 -5.482 -0.044 315 HG23 THR 45 2HG2 THR 45 5.043 -3.997 0.569 316 H VAL 46 H VAL 46 2.998 -2.609 2.498 317 HA VAL 46 HA VAL 46 1.579 -1.009 0.564 318 HB VAL 46 HB VAL 46 3.006 -0.244 3.113 319 HG11 VAL 46 1HG1 VAL 46 3.024 1.803 2.170 320 HG12 VAL 46 2HG1 VAL 46 1.791 1.382 0.979 321 HG13 VAL 46 3HG1 VAL 46 1.321 1.807 2.626 322 HG21 VAL 46 3HG2 VAL 46 0.061 -0.456 2.492 323 HG22 VAL 46 1HG2 VAL 46 1.001 -1.646 3.394 324 HG23 VAL 46 2HG2 VAL 46 0.778 -0.021 4.044 325 H VAL 47 H VAL 47 2.676 -0.721 -1.304 326 HA VAL 47 HA VAL 47 5.505 -0.002 -1.227 327 HB VAL 47 HB VAL 47 3.683 -0.555 -3.573 328 HG11 VAL 47 1HG1 VAL 47 6.178 0.801 -3.473 329 HG12 VAL 47 2HG1 VAL 47 6.429 -0.764 -4.249 330 HG13 VAL 47 3HG1 VAL 47 5.223 0.354 -4.886 331 HG21 VAL 47 3HG2 VAL 47 4.508 -2.409 -1.893 332 HG22 VAL 47 1HG2 VAL 47 4.497 -2.695 -3.633 333 HG23 VAL 47 2HG2 VAL 47 6.001 -2.266 -2.820 334 H PHE 48 H PHE 48 6.058 2.061 -1.083 335 HA PHE 48 HA PHE 48 4.324 4.076 -2.354 336 HB2 PHE 48 1HB PHE 48 5.071 5.661 -0.601 337 HB3 PHE 48 2HB PHE 48 4.190 4.288 0.063 338 HD1 PHE 48 2HD PHE 48 5.532 2.378 1.057 339 HD2 PHE 48 1HD PHE 48 7.215 6.180 0.146 340 HE1 PHE 48 2HE PHE 48 7.408 1.908 2.579 341 HE2 PHE 48 1HE PHE 48 9.094 5.716 1.666 342 HZ PHE 48 HZ PHE 48 9.191 3.579 2.885 343 H ARG 49 H ARG 49 5.289 5.700 -3.527 344 HA ARG 49 HA ARG 49 8.142 6.043 -3.574 345 HB2 ARG 49 1HB ARG 49 8.063 4.099 -4.979 346 HB3 ARG 49 2HB ARG 49 6.727 4.762 -5.912 347 HG2 ARG 49 1HG ARG 49 8.336 6.636 -6.556 348 HG3 ARG 49 2HG ARG 49 9.607 5.588 -5.924 349 HD2 ARG 49 1HD ARG 49 9.360 5.306 -8.332 350 HD3 ARG 49 2HD ARG 49 8.931 3.826 -7.475 351 HE ARG 49 HE ARG 49 6.737 4.089 -8.152 352 HH11 ARG 49 1HH1 ARG 49 8.604 6.911 -8.969 353 HH12 ARG 49 2HH1 ARG 49 7.381 7.584 -9.996 354 HH21 ARG 49 1HH2 ARG 49 5.119 4.964 -9.501 355 HH22 ARG 49 2HH2 ARG 49 5.399 6.475 -10.297 356 H ASP 50 H ASP 50 8.747 7.981 -4.470 357 HA ASP 50 HA ASP 50 6.658 9.906 -4.866 358 HB2 ASP 50 1HB ASP 50 8.562 10.727 -3.737 359 HB3 ASP 50 2HB ASP 50 9.666 10.046 -4.929 360 H ILE 51 H ILE 51 5.575 10.028 -6.715 361 HA ILE 51 HA ILE 51 6.344 8.934 -9.158 362 HB ILE 51 HB ILE 51 4.581 10.331 -10.175 363 HG12 ILE 51 1HG1 ILE 51 4.121 11.479 -7.425 364 HG13 ILE 51 2HG1 ILE 51 5.089 12.311 -8.638 365 HG21 ILE 51 1HG2 ILE 51 3.754 9.119 -7.541 366 HG22 ILE 51 2HG2 ILE 51 2.723 9.384 -8.946 367 HG23 ILE 51 3HG2 ILE 51 4.043 8.218 -9.029 368 HD11 ILE 51 3HD1 ILE 51 3.179 12.408 -10.124 369 HD12 ILE 51 1HD1 ILE 51 2.205 11.513 -8.958 370 HD13 ILE 51 2HD1 ILE 51 2.790 13.130 -8.563 371 H ASN 52 H ASN 52 7.539 11.680 -7.619 372 HA ASN 52 HA ASN 52 8.342 12.985 -10.110 373 HB2 ASN 52 1HB ASN 52 8.678 13.853 -7.230 374 HB3 ASN 52 2HB ASN 52 9.158 14.800 -8.635 375 HD21 ASN 52 1HD2 ASN 52 6.431 13.405 -6.930 376 HD22 ASN 52 2HD2 ASN 52 5.241 14.485 -7.564 377 H SER 53 H SER 53 9.536 10.836 -7.754 378 HA SER 53 HA SER 53 12.288 11.253 -8.725 379 HB2 SER 53 1HB SER 53 11.222 10.693 -5.999 380 HB3 SER 53 2HB SER 53 12.759 9.949 -6.443 381 HG SER 53 HG SER 53 13.044 12.367 -7.231 382 H GLN 54 H GLN 54 13.616 9.128 -8.250 383 HA GLN 54 HA GLN 54 12.053 6.901 -9.377 384 HB2 GLN 54 1HB GLN 54 15.005 7.482 -9.671 385 HB3 GLN 54 2HB GLN 54 14.161 6.107 -10.369 386 HG2 GLN 54 1HG GLN 54 13.034 7.419 -11.914 387 HG3 GLN 54 2HG GLN 54 13.305 8.900 -10.998 388 HE21 GLN 54 1HE2 GLN 54 13.834 9.014 -13.592 389 HE22 GLN 54 2HE2 GLN 54 15.534 9.021 -13.894 390 H GLN 55 H GLN 55 12.419 7.567 -6.534 391 HA GLN 55 HA GLN 55 14.060 5.314 -5.619 392 HB2 GLN 55 1HB GLN 55 14.629 7.362 -4.522 393 HB3 GLN 55 2HB GLN 55 12.942 7.715 -4.176 394 HG2 GLN 55 1HG GLN 55 14.074 6.978 -2.178 395 HG3 GLN 55 2HG GLN 55 12.855 5.799 -2.659 396 HE21 GLN 55 1HE2 GLN 55 13.465 3.765 -3.210 397 HE22 GLN 55 2HE2 GLN 55 15.088 3.184 -3.098 398 H GLU 56 H GLU 56 12.731 3.565 -5.936 399 HA GLU 56 HA GLU 56 9.991 3.600 -5.022 400 HB2 GLU 56 1HB GLU 56 11.051 2.290 -7.034 401 HB3 GLU 56 2HB GLU 56 11.433 1.096 -5.802 402 HG2 GLU 56 1HG GLU 56 9.205 0.628 -5.377 403 HG3 GLU 56 2HG GLU 56 8.650 2.146 -6.079 404 H LEU 57 H LEU 57 9.155 2.589 -3.243 405 HA LEU 57 HA LEU 57 10.876 1.004 -1.523 406 HB2 LEU 57 1HB LEU 57 9.507 3.457 -0.441 407 HB3 LEU 57 2HB LEU 57 10.572 2.355 0.428 408 HG LEU 57 HG LEU 57 11.606 3.912 -1.910 409 HD11 LEU 57 1HD1 LEU 57 10.388 5.364 -0.133 410 HD12 LEU 57 2HD1 LEU 57 12.000 5.823 -0.681 411 HD13 LEU 57 3HD1 LEU 57 11.796 5.000 0.865 412 HD21 LEU 57 3HD2 LEU 57 12.807 2.728 0.586 413 HD22 LEU 57 1HD2 LEU 57 13.691 3.763 -0.535 414 HD23 LEU 57 2HD2 LEU 57 13.058 2.210 -1.082 415 H GLN 58 H GLN 58 9.604 0.241 0.450 416 HA GLN 58 HA GLN 58 6.752 0.265 0.309 417 HB2 GLN 58 1HB GLN 58 6.370 -2.047 -0.252 418 HB3 GLN 58 2HB GLN 58 7.303 -1.301 -1.543 419 HG2 GLN 58 1HG GLN 58 9.340 -2.251 -0.201 420 HG3 GLN 58 2HG GLN 58 8.124 -3.347 0.455 421 HE21 GLN 58 1HE2 GLN 58 10.442 -3.796 -1.336 422 HE22 GLN 58 2HE2 GLN 58 9.794 -4.593 -2.724 423 H ASN 59 H ASN 59 5.779 -1.195 1.965 424 HA ASN 59 HA ASN 59 7.655 -1.927 4.098 425 HB2 ASN 59 1HB ASN 59 5.326 -0.037 4.303 426 HB3 ASN 59 2HB ASN 59 5.856 -0.961 5.706 427 HD21 ASN 59 1HD2 ASN 59 8.534 -0.958 5.500 428 HD22 ASN 59 2HD2 ASN 59 9.150 0.654 5.588 429 H ILE 60 H ILE 60 6.440 -3.147 5.886 430 HA ILE 60 HA ILE 60 4.253 -4.758 4.771 431 HB ILE 60 HB ILE 60 6.612 -5.939 6.238 432 HG12 ILE 60 1HG1 ILE 60 5.904 -6.110 3.301 433 HG13 ILE 60 2HG1 ILE 60 7.218 -5.150 3.972 434 HG21 ILE 60 1HG2 ILE 60 4.845 -7.677 4.685 435 HG22 ILE 60 2HG2 ILE 60 5.507 -7.886 6.305 436 HG23 ILE 60 3HG2 ILE 60 4.066 -6.899 6.062 437 HD11 ILE 60 3HD1 ILE 60 8.428 -7.070 4.597 438 HD12 ILE 60 1HD1 ILE 60 7.040 -8.124 4.328 439 HD13 ILE 60 2HD1 ILE 60 7.850 -7.364 2.957 440 H THR 61 H THR 61 2.638 -5.157 6.160 441 HA THR 61 HA THR 61 3.093 -5.052 9.031 442 HB THR 61 HB THR 61 2.618 -2.718 8.532 443 HG1 THR 61 1HG THR 61 0.927 -2.500 9.987 444 HG21 THR 61 3HG2 THR 61 1.168 -2.064 6.969 445 HG22 THR 61 1HG2 THR 61 -0.141 -2.967 7.730 446 HG23 THR 61 2HG2 THR 61 0.920 -3.763 6.568 447 H THR 62 H THR 62 1.610 -6.212 10.210 448 HA THR 62 HA THR 62 -0.036 -8.048 8.710 449 HB THR 62 HB THR 62 -0.591 -8.956 11.018 450 HG1 THR 62 1HG THR 62 0.248 -6.741 11.890 451 HG21 THR 62 3HG2 THR 62 1.239 -10.299 10.934 452 HG22 THR 62 1HG2 THR 62 2.363 -8.945 10.822 453 HG23 THR 62 2HG2 THR 62 1.480 -9.478 9.392 454 H ASP 63 H ASP 63 -0.659 -5.056 9.118 455 HA ASP 63 HA ASP 63 -3.447 -5.450 9.990 456 HB2 ASP 63 1HB ASP 63 -1.507 -3.263 10.595 457 HB3 ASP 63 2HB ASP 63 -3.210 -2.845 10.426 458 H THR 64 H THR 64 -5.004 -3.952 8.996 459 HA THR 64 HA THR 64 -4.549 -3.793 6.154 460 HB THR 64 HB THR 64 -6.942 -2.631 6.387 461 HG1 THR 64 1HG THR 64 -7.932 -3.856 8.247 462 HG21 THR 64 3HG2 THR 64 -6.389 -4.783 5.263 463 HG22 THR 64 1HG2 THR 64 -7.945 -4.804 6.092 464 HG23 THR 64 2HG2 THR 64 -6.546 -5.593 6.821 465 H ARG 65 H ARG 65 -3.241 -1.949 8.269 466 HA ARG 65 HA ARG 65 -3.595 0.492 6.695 467 HB2 ARG 65 1HB ARG 65 -3.770 1.892 8.656 468 HB3 ARG 65 2HB ARG 65 -5.043 0.680 8.702 469 HG2 ARG 65 1HG ARG 65 -4.158 -0.389 10.506 470 HG3 ARG 65 2HG ARG 65 -2.502 0.070 10.104 471 HD2 ARG 65 1HD ARG 65 -2.777 2.235 10.971 472 HD3 ARG 65 2HD ARG 65 -4.534 2.094 10.990 473 HE ARG 65 HE ARG 65 -3.701 0.150 12.699 474 HH11 ARG 65 1HH1 ARG 65 -3.137 3.577 12.446 475 HH12 ARG 65 2HH1 ARG 65 -2.936 3.801 14.153 476 HH21 ARG 65 1HH2 ARG 65 -3.438 0.433 14.947 477 HH22 ARG 65 2HH2 ARG 65 -3.106 2.012 15.574 478 H PHE 66 H PHE 66 -1.872 2.143 7.306 479 HA PHE 66 HA PHE 66 0.513 1.267 8.573 480 HB2 PHE 66 1HB PHE 66 0.570 -0.059 6.429 481 HB3 PHE 66 2HB PHE 66 0.676 1.470 5.563 482 HD1 PHE 66 1HD PHE 66 2.412 -0.795 7.880 483 HD2 PHE 66 2HD PHE 66 2.708 2.704 5.474 484 HE1 PHE 66 1HE PHE 66 4.857 -0.814 8.158 485 HE2 PHE 66 2HE PHE 66 5.153 2.690 5.748 486 HZ PHE 66 HZ PHE 66 6.231 0.929 7.091 487 H THR 67 H THR 67 2.298 2.855 8.296 488 HA THR 67 HA THR 67 1.363 5.494 7.407 489 HB THR 67 HB THR 67 2.813 5.066 10.023 490 HG1 THR 67 1HG THR 67 0.658 5.752 10.851 491 HG21 THR 67 3HG2 THR 67 2.346 7.358 8.402 492 HG22 THR 67 1HG2 THR 67 3.125 7.271 9.981 493 HG23 THR 67 2HG2 THR 67 1.382 7.516 9.870 494 H LEU 68 H LEU 68 2.730 6.061 5.847 495 HA LEU 68 HA LEU 68 5.349 5.035 5.565 496 HB2 LEU 68 1HB LEU 68 3.960 7.383 4.293 497 HB3 LEU 68 2HB LEU 68 5.579 6.853 3.841 498 HG LEU 68 HG LEU 68 4.414 5.780 2.224 499 HD11 LEU 68 1HD1 LEU 68 5.465 4.016 3.513 500 HD12 LEU 68 2HD1 LEU 68 3.936 3.453 2.839 501 HD13 LEU 68 3HD1 LEU 68 4.039 3.892 4.544 502 HD21 LEU 68 3HD2 LEU 68 2.048 5.099 3.906 503 HD22 LEU 68 1HD2 LEU 68 2.148 5.414 2.174 504 HD23 LEU 68 2HD2 LEU 68 2.244 6.751 3.321 505 H THR 69 H THR 69 7.275 6.562 5.293 506 HA THR 69 HA THR 69 7.330 8.874 7.012 507 HB THR 69 HB THR 69 9.008 8.073 8.567 508 HG1 THR 69 1HG THR 69 9.488 5.768 8.546 509 HG21 THR 69 3HG2 THR 69 6.648 7.770 9.181 510 HG22 THR 69 1HG2 THR 69 7.664 6.505 9.869 511 HG23 THR 69 2HG2 THR 69 6.669 6.164 8.453 512 H GLY 70 H GLY 70 9.494 9.906 7.039 513 HA2 GLY 70 1HA GLY 70 11.411 10.634 6.000 514 HA3 GLY 70 2HA GLY 70 11.562 9.027 5.305 515 H LEU 71 H LEU 71 8.825 11.199 4.865 516 HA LEU 71 HA LEU 71 9.449 11.263 1.991 517 HB2 LEU 71 1HB LEU 71 6.774 12.000 3.076 518 HB3 LEU 71 2HB LEU 71 7.198 11.295 1.517 519 HG LEU 71 HG LEU 71 7.437 9.720 4.062 520 HD11 LEU 71 1HD1 LEU 71 5.226 9.883 4.314 521 HD12 LEU 71 2HD1 LEU 71 5.117 8.861 2.882 522 HD13 LEU 71 3HD1 LEU 71 5.006 10.614 2.724 523 HD21 LEU 71 3HD2 LEU 71 6.626 8.329 1.671 524 HD22 LEU 71 1HD2 LEU 71 8.025 8.058 2.709 525 HD23 LEU 71 2HD2 LEU 71 8.115 9.236 1.399 526 H LYS 72 H LYS 72 8.871 13.231 0.815 527 HA LYS 72 HA LYS 72 9.627 15.592 2.352 528 HB2 LYS 72 1HB LYS 72 10.864 15.208 0.311 529 HB3 LYS 72 2HB LYS 72 9.375 15.109 -0.621 530 HG2 LYS 72 1HG LYS 72 8.971 17.522 0.199 531 HG3 LYS 72 2HG LYS 72 10.695 17.510 0.576 532 HD2 LYS 72 1HD LYS 72 9.622 16.744 -2.129 533 HD3 LYS 72 2HD LYS 72 10.034 18.408 -1.707 534 HE2 LYS 72 1HE LYS 72 12.298 17.314 -0.950 535 HE3 LYS 72 2HE LYS 72 11.808 16.038 -2.064 536 HZ1 LYS 72 3HZ LYS 72 12.468 17.280 -3.755 537 HZ2 LYS 72 1HZ LYS 72 13.011 18.468 -2.680 538 HZ3 LYS 72 2HZ LYS 72 11.437 18.540 -3.295 539 HA PRO 73 HA PRO 73 5.531 17.198 2.544 540 HB2 PRO 73 1HB PRO 73 6.126 19.826 2.878 541 HB3 PRO 73 2HB PRO 73 6.329 18.624 4.158 542 HG2 PRO 73 1HG PRO 73 8.376 19.785 2.307 543 HG3 PRO 73 2HG PRO 73 8.493 19.470 4.048 544 HD2 PRO 73 1HD PRO 73 9.567 17.816 2.193 545 HD3 PRO 73 2HD PRO 73 8.927 17.227 3.741 546 H ASP 74 H ASP 74 4.011 18.162 1.243 547 HA ASP 74 HA ASP 74 3.068 18.920 -0.684 548 HB2 ASP 74 1HB ASP 74 4.124 21.029 0.056 549 HB3 ASP 74 2HB ASP 74 5.579 20.602 -0.841 550 H THR 75 H THR 75 4.257 16.510 -1.001 551 HA THR 75 HA THR 75 5.110 16.634 -3.790 552 HB THR 75 HB THR 75 6.696 15.285 -1.606 553 HG1 THR 75 1HG THR 75 7.520 17.273 -1.939 554 HG21 THR 75 3HG2 THR 75 7.077 14.955 -4.582 555 HG22 THR 75 1HG2 THR 75 6.323 13.750 -3.539 556 HG23 THR 75 2HG2 THR 75 8.013 14.192 -3.297 557 H THR 76 H THR 76 4.183 15.094 -4.995 558 HA THR 76 HA THR 76 2.247 13.356 -3.861 559 HB THR 76 HB THR 76 3.407 13.324 -6.655 560 HG1 THR 76 1HG THR 76 2.187 15.268 -5.693 561 HG21 THR 76 3HG2 THR 76 1.486 11.630 -5.316 562 HG22 THR 76 1HG2 THR 76 2.192 11.470 -6.923 563 HG23 THR 76 2HG2 THR 76 0.753 12.462 -6.686 564 H TYR 77 H TYR 77 2.340 11.250 -3.315 565 HA TYR 77 HA TYR 77 4.811 9.770 -3.920 566 HB2 TYR 77 1HB TYR 77 3.482 10.219 -1.282 567 HB3 TYR 77 2HB TYR 77 4.285 8.680 -1.571 568 HD1 TYR 77 1HD TYR 77 6.727 8.632 -2.037 569 HD2 TYR 77 2HD TYR 77 4.731 12.209 -0.887 570 HE1 TYR 77 1HE TYR 77 8.892 9.649 -1.463 571 HE2 TYR 77 2HE TYR 77 6.890 13.236 -0.311 572 HH TYR 77 HH TYR 77 9.781 11.429 -0.082 573 H ASP 78 H ASP 78 4.125 8.306 -5.360 574 HA ASP 78 HA ASP 78 1.545 7.211 -5.498 575 HB2 ASP 78 1HB ASP 78 2.905 7.125 -7.450 576 HB3 ASP 78 2HB ASP 78 4.194 6.276 -6.600 577 H ILE 79 H ILE 79 0.778 6.310 -3.644 578 HA ILE 79 HA ILE 79 2.330 4.103 -2.467 579 HB ILE 79 HB ILE 79 0.066 5.661 -1.215 580 HG12 ILE 79 1HG1 ILE 79 2.870 5.781 -0.208 581 HG13 ILE 79 2HG1 ILE 79 2.478 6.704 -1.654 582 HG21 ILE 79 1HG2 ILE 79 1.968 3.896 0.265 583 HG22 ILE 79 2HG2 ILE 79 0.339 4.407 0.704 584 HG23 ILE 79 3HG2 ILE 79 0.573 3.198 -0.558 585 HD11 ILE 79 3HD1 ILE 79 0.731 6.960 0.739 586 HD12 ILE 79 1HD1 ILE 79 2.292 7.780 0.714 587 HD13 ILE 79 2HD1 ILE 79 1.090 8.132 -0.528 588 H LYS 80 H LYS 80 1.562 2.085 -2.549 589 HA LYS 80 HA LYS 80 -1.270 1.667 -3.207 590 HB2 LYS 80 1HB LYS 80 -0.337 -0.340 -4.613 591 HB3 LYS 80 2HB LYS 80 -0.414 1.272 -5.313 592 HG2 LYS 80 1HG LYS 80 2.039 1.408 -4.313 593 HG3 LYS 80 2HG LYS 80 1.935 -0.343 -4.509 594 HD2 LYS 80 1HD LYS 80 1.202 1.541 -6.731 595 HD3 LYS 80 2HD LYS 80 2.870 1.027 -6.464 596 HE2 LYS 80 1HE LYS 80 2.107 -1.331 -6.623 597 HE3 LYS 80 2HE LYS 80 0.495 -0.745 -7.027 598 HZ1 LYS 80 3HZ LYS 80 2.956 -0.659 -8.627 599 HZ2 LYS 80 1HZ LYS 80 1.780 0.533 -8.869 600 HZ3 LYS 80 2HZ LYS 80 1.389 -1.097 -9.090 601 H VAL 81 H VAL 81 -1.539 -0.951 -3.183 602 HA VAL 81 HA VAL 81 -0.081 -2.150 -0.982 603 HB VAL 81 HB VAL 81 -2.173 -0.742 -0.161 604 HG11 VAL 81 1HG1 VAL 81 -4.222 -1.825 -0.175 605 HG12 VAL 81 2HG1 VAL 81 -3.602 -2.164 -1.791 606 HG13 VAL 81 3HG1 VAL 81 -3.505 -3.396 -0.532 607 HG21 VAL 81 3HG2 VAL 81 -2.060 -3.437 1.063 608 HG22 VAL 81 1HG2 VAL 81 -0.552 -2.527 0.979 609 HG23 VAL 81 2HG2 VAL 81 -1.948 -1.845 1.813 610 H ARG 82 H ARG 82 -0.700 -4.422 -0.635 611 HA ARG 82 HA ARG 82 -2.343 -5.716 -2.612 612 HB2 ARG 82 1HB ARG 82 -0.592 -7.061 -3.620 613 HB3 ARG 82 2HB ARG 82 -0.249 -5.354 -3.868 614 HG2 ARG 82 1HG ARG 82 1.415 -5.380 -2.136 615 HG3 ARG 82 2HG ARG 82 0.998 -7.042 -1.711 616 HD2 ARG 82 1HD ARG 82 1.778 -7.834 -3.846 617 HD3 ARG 82 2HD ARG 82 2.048 -6.184 -4.403 618 HE ARG 82 HE ARG 82 3.530 -6.931 -2.038 619 HH11 ARG 82 1HH1 ARG 82 3.502 -6.756 -5.515 620 HH12 ARG 82 2HH1 ARG 82 5.228 -6.769 -5.660 621 HH21 ARG 82 1HH2 ARG 82 5.804 -6.949 -2.216 622 HH22 ARG 82 2HH2 ARG 82 6.537 -6.880 -3.783 623 H ALA 83 H ALA 83 -3.175 -7.545 -1.804 624 HA ALA 83 HA ALA 83 -2.493 -8.337 0.864 625 HB1 ALA 83 3HB ALA 83 -4.222 -10.138 -0.677 626 HB2 ALA 83 1HB ALA 83 -4.490 -9.361 0.884 627 HB3 ALA 83 2HB ALA 83 -4.771 -8.463 -0.609 628 H TRP 84 H TRP 84 -1.769 -10.403 1.543 629 HA TRP 84 HA TRP 84 -0.337 -11.939 -0.524 630 HB2 TRP 84 1HB TRP 84 0.620 -11.069 2.200 631 HB3 TRP 84 2HB TRP 84 1.361 -12.413 1.334 632 HD1 TRP 84 HD TRP 84 0.558 -8.676 0.610 633 HE1 TRP 84 1HE TRP 84 2.507 -7.707 -0.764 634 HE3 TRP 84 3HE TRP 84 3.395 -12.902 0.132 635 HZ2 TRP 84 2HZ TRP 84 4.926 -8.614 -1.900 636 HZ3 TRP 84 3HZ TRP 84 5.512 -12.767 -1.113 637 HH2 TRP 84 HH TRP 84 6.260 -10.666 -2.108 638 H THR 85 H THR 85 -0.163 -14.180 -0.191 639 HA THR 85 HA THR 85 -1.953 -15.264 1.886 640 HB THR 85 HB THR 85 -2.372 -17.163 0.240 641 HG1 THR 85 1HG THR 85 -0.866 -16.832 -1.334 642 HG21 THR 85 3HG2 THR 85 -3.712 -15.191 -1.228 643 HG22 THR 85 1HG2 THR 85 -3.531 -14.528 0.396 644 HG23 THR 85 2HG2 THR 85 -4.323 -16.086 0.163 645 H SER 86 H SER 86 -1.507 -17.570 2.415 646 HA SER 86 HA SER 86 1.037 -17.963 3.369 647 HB2 SER 86 1HB SER 86 -0.545 -19.402 4.284 648 HB3 SER 86 2HB SER 86 -1.198 -19.851 2.709 649 HG SER 86 HG SER 86 1.153 -20.745 3.979 650 H LYS 87 H LYS 87 -0.106 -18.362 0.150 651 HA LYS 87 HA LYS 87 2.055 -20.072 -0.707 652 HB2 LYS 87 1HB LYS 87 -0.164 -18.626 -2.137 653 HB3 LYS 87 2HB LYS 87 1.121 -19.439 -3.020 654 HG2 LYS 87 1HG LYS 87 -0.395 -21.122 -2.964 655 HG3 LYS 87 2HG LYS 87 0.428 -21.448 -1.437 656 HD2 LYS 87 1HD LYS 87 -1.296 -20.423 -0.182 657 HD3 LYS 87 2HD LYS 87 -2.016 -19.702 -1.623 658 HE2 LYS 87 1HE LYS 87 -2.838 -21.769 -2.376 659 HE3 LYS 87 2HE LYS 87 -1.795 -22.678 -1.284 660 HZ1 LYS 87 3HZ LYS 87 -3.762 -20.845 -0.121 661 HZ2 LYS 87 1HZ LYS 87 -3.161 -22.306 0.483 662 HZ3 LYS 87 2HZ LYS 87 -4.316 -22.313 -0.752 663 H GLY 88 H GLY 88 1.070 -16.759 -1.620 664 HA2 GLY 88 1HA GLY 88 3.745 -15.764 -1.364 665 HA3 GLY 88 2HA GLY 88 3.291 -16.012 -3.044 666 H SER 89 H SER 89 2.633 -14.216 -3.995 667 HA SER 89 HA SER 89 0.984 -12.331 -2.450 668 HB2 SER 89 1HB SER 89 2.127 -10.451 -3.424 669 HB3 SER 89 2HB SER 89 3.349 -11.520 -2.737 670 HG SER 89 HG SER 89 2.743 -10.987 -5.417 671 H GLY 90 H GLY 90 0.028 -10.633 -4.105 672 HA2 GLY 90 1HA GLY 90 -0.884 -12.091 -6.503 673 HA3 GLY 90 2HA GLY 90 -2.037 -11.300 -5.438 674 HA PRO 91 HA PRO 91 -1.303 -8.192 -8.666 675 HB2 PRO 91 1HB PRO 91 -3.697 -6.961 -8.314 676 HB3 PRO 91 2HB PRO 91 -3.502 -8.420 -9.293 677 HG2 PRO 91 1HG PRO 91 -4.470 -8.147 -6.474 678 HG3 PRO 91 2HG PRO 91 -5.109 -9.157 -7.783 679 HD2 PRO 91 1HD PRO 91 -3.521 -10.143 -5.824 680 HD3 PRO 91 2HD PRO 91 -3.505 -10.784 -7.480 681 H LEU 92 H LEU 92 -1.535 -5.754 -8.565 682 HA LEU 92 HA LEU 92 -0.909 -4.813 -5.843 683 HB2 LEU 92 1HB LEU 92 0.334 -4.285 -8.479 684 HB3 LEU 92 2HB LEU 92 0.227 -2.928 -7.359 685 HG LEU 92 HG LEU 92 1.459 -5.535 -6.528 686 HD11 LEU 92 1HD1 LEU 92 2.617 -3.386 -8.237 687 HD12 LEU 92 2HD1 LEU 92 2.846 -5.132 -8.311 688 HD13 LEU 92 3HD1 LEU 92 3.642 -4.192 -7.049 689 HD21 LEU 92 3HD2 LEU 92 1.295 -2.761 -5.494 690 HD22 LEU 92 1HD2 LEU 92 2.797 -3.645 -5.224 691 HD23 LEU 92 2HD2 LEU 92 1.270 -4.299 -4.630 692 H SER 93 H SER 93 -2.299 -3.414 -5.010 693 HA SER 93 HA SER 93 -4.570 -2.476 -6.326 694 HB2 SER 93 1HB SER 93 -5.100 -1.372 -4.351 695 HB3 SER 93 2HB SER 93 -3.981 -2.606 -3.773 696 HG SER 93 HG SER 93 -3.314 0.083 -4.400 697 HA PRO 94 HA PRO 94 -3.323 1.055 -8.615 698 HB2 PRO 94 1HB PRO 94 -5.503 2.653 -8.355 699 HB3 PRO 94 2HB PRO 94 -5.494 1.195 -9.354 700 HG2 PRO 94 1HG PRO 94 -6.552 1.584 -6.581 701 HG3 PRO 94 2HG PRO 94 -7.276 0.708 -7.942 702 HD2 PRO 94 1HD PRO 94 -5.972 -0.548 -5.929 703 HD3 PRO 94 2HD PRO 94 -5.973 -1.161 -7.595 704 H SER 95 H SER 95 -1.766 2.373 -7.910 705 HA SER 95 HA SER 95 -1.438 3.420 -5.388 706 HB2 SER 95 1HB SER 95 -0.172 5.315 -6.814 707 HB3 SER 95 2HB SER 95 0.485 3.693 -6.592 708 HG SER 95 HG SER 95 0.545 4.018 -8.747 709 H ILE 96 H ILE 96 -1.880 5.385 -4.392 710 HA ILE 96 HA ILE 96 -4.191 6.807 -5.502 711 HB ILE 96 HB ILE 96 -4.234 7.820 -3.130 712 HG12 ILE 96 1HG1 ILE 96 -2.529 5.375 -2.608 713 HG13 ILE 96 2HG1 ILE 96 -1.958 7.038 -2.518 714 HG21 ILE 96 1HG2 ILE 96 -5.566 5.994 -2.310 715 HG22 ILE 96 2HG2 ILE 96 -5.827 6.156 -4.046 716 HG23 ILE 96 3HG2 ILE 96 -4.787 4.873 -3.427 717 HD11 ILE 96 3HD1 ILE 96 -4.053 7.173 -0.845 718 HD12 ILE 96 1HD1 ILE 96 -3.586 5.487 -0.626 719 HD13 ILE 96 2HD1 ILE 96 -2.413 6.773 -0.337 720 H GLN 97 H GLN 97 -0.855 7.210 -4.676 721 HA GLN 97 HA GLN 97 0.607 8.929 -4.956 722 HB2 GLN 97 1HB GLN 97 -1.591 9.593 -6.844 723 HB3 GLN 97 2HB GLN 97 -0.432 10.865 -6.480 724 HG2 GLN 97 1HG GLN 97 1.273 9.815 -7.545 725 HG3 GLN 97 2HG GLN 97 0.649 8.204 -7.194 726 HE21 GLN 97 1HE2 GLN 97 0.214 7.182 -9.003 727 HE22 GLN 97 2HE2 GLN 97 -0.544 7.857 -10.401 728 H SER 98 H SER 98 -0.614 8.987 -2.579 729 HA SER 98 HA SER 98 -1.959 11.436 -2.014 730 HB2 SER 98 1HB SER 98 -1.872 9.150 -0.683 731 HB3 SER 98 2HB SER 98 -0.509 9.927 0.123 732 HG SER 98 HG SER 98 -2.011 11.737 0.465 733 H ARG 99 H ARG 99 -0.983 13.339 -2.221 734 HA ARG 99 HA ARG 99 1.868 13.624 -1.850 735 HB2 ARG 99 1HB ARG 99 1.012 14.910 -3.627 736 HB3 ARG 99 2HB ARG 99 -0.339 15.495 -2.666 737 HG2 ARG 99 1HG ARG 99 1.205 16.827 -1.311 738 HG3 ARG 99 2HG ARG 99 2.551 16.251 -2.297 739 HD2 ARG 99 1HD ARG 99 2.046 18.323 -3.228 740 HD3 ARG 99 2HD ARG 99 1.216 17.184 -4.287 741 HE ARG 99 HE ARG 99 -0.002 19.087 -2.469 742 HH11 ARG 99 1HH1 ARG 99 -0.417 16.301 -4.514 743 HH12 ARG 99 2HH1 ARG 99 -2.130 16.511 -4.673 744 HH21 ARG 99 1HH2 ARG 99 -2.256 19.374 -2.670 745 HH22 ARG 99 2HH2 ARG 99 -3.175 18.259 -3.625 746 H THR 100 H THR 100 2.735 13.871 0.092 747 HA THR 100 HA THR 100 1.561 14.155 2.502 748 HB THR 100 HB THR 100 3.637 15.224 3.343 749 HG1 THR 100 1HG THR 100 4.167 15.435 0.560 750 HG21 THR 100 3HG2 THR 100 5.158 13.404 2.009 751 HG22 THR 100 1HG2 THR 100 3.537 12.772 1.725 752 HG23 THR 100 2HG2 THR 100 4.110 13.020 3.374 753 H MET 101 H MET 101 1.385 15.972 4.015 754 HA MET 101 HA MET 101 -0.154 18.080 2.933 755 HB2 MET 101 1HB MET 101 -0.583 18.684 5.104 756 HB3 MET 101 2HB MET 101 -0.064 17.022 5.352 757 HG2 MET 101 1HG MET 101 2.086 17.709 6.073 758 HG3 MET 101 2HG MET 101 1.797 19.369 5.560 759 HE1 MET 101 3HE MET 101 0.002 16.630 7.300 760 HE2 MET 101 1HE MET 101 0.869 16.833 8.823 761 HE3 MET 101 2HE MET 101 -0.802 17.379 8.681 762 HA PRO 102 HA PRO 102 3.049 20.879 1.733 763 HB2 PRO 102 1HB PRO 102 1.503 23.094 1.457 764 HB3 PRO 102 2HB PRO 102 1.503 21.771 0.285 765 HG2 PRO 102 1HG PRO 102 -0.432 22.344 2.496 766 HG3 PRO 102 2HG PRO 102 -0.757 21.830 0.830 767 HD2 PRO 102 1HD PRO 102 -0.798 20.108 2.920 768 HD3 PRO 102 2HD PRO 102 -0.296 19.619 1.288 769 H VAL 103 H VAL 103 4.148 20.849 3.783 770 HA VAL 103 HA VAL 103 3.648 21.929 6.157 771 HB VAL 103 HB VAL 103 6.169 22.470 4.581 772 HG11 VAL 103 1HG1 VAL 103 7.040 23.521 6.341 773 HG12 VAL 103 2HG1 VAL 103 5.403 23.609 6.994 774 HG13 VAL 103 3HG1 VAL 103 6.466 22.279 7.454 775 HG21 VAL 103 3HG2 VAL 103 6.867 20.396 5.094 776 HG22 VAL 103 1HG2 VAL 103 6.159 20.450 6.708 777 HG23 VAL 103 2HG2 VAL 103 5.151 20.057 5.316 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.204 -12.113 -8.466 2 HA2 GLY 1 1HA GLY 1 3.291 -14.189 -8.896 3 HA3 GLY 1 2HA GLY 1 1.710 -14.351 -9.646 4 H SER 2 H SER 2 5.114 -13.864 -10.190 5 HA SER 2 HA SER 2 4.765 -13.827 -13.083 6 HB2 SER 2 1HB SER 2 6.433 -12.327 -12.003 7 HB3 SER 2 2HB SER 2 7.322 -13.751 -11.463 8 HG SER 2 HG SER 2 7.154 -14.242 -13.907 9 H SER 3 H SER 3 4.531 -15.689 -14.111 10 HA SER 3 HA SER 3 4.789 -17.853 -14.763 11 HB2 SER 3 1HB SER 3 7.231 -17.069 -14.744 12 HB3 SER 3 2HB SER 3 7.371 -17.918 -13.205 13 HG SER 3 HG SER 3 6.191 -19.404 -15.183 14 H GLY 4 H GLY 4 3.196 -17.454 -12.549 15 HA2 GLY 4 1HA GLY 4 3.301 -20.065 -11.342 16 HA3 GLY 4 2HA GLY 4 3.660 -18.770 -10.209 17 H SER 5 H SER 5 1.395 -20.669 -10.332 18 HA SER 5 HA SER 5 -0.829 -18.778 -10.701 19 HB2 SER 5 1HB SER 5 -0.896 -20.927 -11.997 20 HB3 SER 5 2HB SER 5 -0.991 -21.790 -10.462 21 HG SER 5 HG SER 5 -2.818 -19.729 -10.983 22 H SER 6 H SER 6 0.730 -18.499 -8.421 23 HA SER 6 HA SER 6 -1.101 -19.468 -6.324 24 HB2 SER 6 1HB SER 6 0.672 -19.858 -4.853 25 HB3 SER 6 2HB SER 6 1.330 -20.403 -6.395 26 HG SER 6 HG SER 6 2.293 -18.289 -6.575 27 H GLY 7 H GLY 7 -1.664 -18.036 -4.689 28 HA2 GLY 7 1HA GLY 7 -1.326 -15.935 -3.521 29 HA3 GLY 7 2HA GLY 7 -0.736 -15.256 -5.031 30 HA PRO 8 HA PRO 8 -5.367 -14.453 -4.331 31 HB2 PRO 8 1HB PRO 8 -5.205 -11.807 -3.745 32 HB3 PRO 8 2HB PRO 8 -5.152 -13.070 -2.509 33 HG2 PRO 8 1HG PRO 8 -2.897 -11.551 -3.763 34 HG3 PRO 8 2HG PRO 8 -3.147 -11.980 -2.061 35 HD2 PRO 8 1HD PRO 8 -1.471 -13.359 -3.679 36 HD3 PRO 8 2HD PRO 8 -2.371 -14.130 -2.358 37 H SER 9 H SER 9 -6.616 -13.701 -5.975 38 HA SER 9 HA SER 9 -5.212 -12.497 -8.246 39 HB2 SER 9 1HB SER 9 -6.522 -14.593 -8.599 40 HB3 SER 9 2HB SER 9 -7.985 -13.710 -8.161 41 HG SER 9 HG SER 9 -6.329 -13.393 -10.420 42 H GLY 10 H GLY 10 -7.189 -11.609 -5.688 43 HA2 GLY 10 1HA GLY 10 -8.173 -9.244 -7.162 44 HA3 GLY 10 2HA GLY 10 -9.001 -9.953 -5.784 45 H PHE 11 H PHE 11 -8.204 -7.219 -6.062 46 HA PHE 11 HA PHE 11 -6.133 -7.027 -3.977 47 HB2 PHE 11 1HB PHE 11 -6.007 -4.585 -4.827 48 HB3 PHE 11 2HB PHE 11 -5.283 -5.852 -5.812 49 HD1 PHE 11 2HD PHE 11 -6.620 -6.759 -7.764 50 HD2 PHE 11 1HD PHE 11 -7.659 -3.189 -5.693 51 HE1 PHE 11 2HE PHE 11 -7.988 -6.048 -9.682 52 HE2 PHE 11 1HE PHE 11 -9.029 -2.473 -7.607 53 HZ PHE 11 HZ PHE 11 -9.194 -3.902 -9.606 54 HA PRO 12 HA PRO 12 -8.998 -5.276 -1.153 55 HB2 PRO 12 1HB PRO 12 -7.452 -3.462 0.147 56 HB3 PRO 12 2HB PRO 12 -7.282 -5.207 0.374 57 HG2 PRO 12 1HG PRO 12 -5.666 -3.352 -1.331 58 HG3 PRO 12 2HG PRO 12 -5.116 -4.670 -0.279 59 HD2 PRO 12 1HD PRO 12 -5.337 -4.944 -2.964 60 HD3 PRO 12 2HD PRO 12 -5.612 -6.291 -1.841 61 H GLN 13 H GLN 13 -9.874 -3.136 -0.342 62 HA GLN 13 HA GLN 13 -9.705 -1.039 -2.394 63 HB2 GLN 13 1HB GLN 13 -12.333 -1.684 -1.108 64 HB3 GLN 13 2HB GLN 13 -12.013 -0.852 -2.624 65 HG2 GLN 13 1HG GLN 13 -11.420 -3.767 -2.228 66 HG3 GLN 13 2HG GLN 13 -12.987 -3.178 -2.780 67 HE21 GLN 13 1HE2 GLN 13 -11.956 -4.793 -4.480 68 HE22 GLN 13 2HE2 GLN 13 -11.203 -4.002 -5.819 69 H ASN 14 H ASN 14 -11.234 0.886 -1.458 70 HA ASN 14 HA ASN 14 -11.352 2.592 0.041 71 HB2 ASN 14 1HB ASN 14 -11.396 0.161 1.755 72 HB3 ASN 14 2HB ASN 14 -11.100 1.702 2.555 73 HD21 ASN 14 1HD2 ASN 14 -13.145 0.860 -0.209 74 HD22 ASN 14 2HD2 ASN 14 -14.621 1.422 0.491 75 H LEU 15 H LEU 15 -8.755 1.697 -1.044 76 HA LEU 15 HA LEU 15 -6.798 2.089 1.015 77 HB2 LEU 15 1HB LEU 15 -6.439 0.732 -1.048 78 HB3 LEU 15 2HB LEU 15 -6.433 2.232 -1.973 79 HG LEU 15 HG LEU 15 -4.447 2.954 -0.632 80 HD11 LEU 15 1HD1 LEU 15 -4.441 1.735 1.323 81 HD12 LEU 15 2HD1 LEU 15 -3.217 0.894 0.371 82 HD13 LEU 15 3HD1 LEU 15 -4.842 0.223 0.508 83 HD21 LEU 15 3HD2 LEU 15 -3.012 0.954 -1.706 84 HD22 LEU 15 1HD2 LEU 15 -3.696 2.277 -2.651 85 HD23 LEU 15 2HD2 LEU 15 -4.535 0.728 -2.567 86 H HIS 16 H HIS 16 -6.403 3.992 1.914 87 HA HIS 16 HA HIS 16 -5.749 6.287 0.367 88 HB2 HIS 16 1HB HIS 16 -7.557 7.760 1.296 89 HB3 HIS 16 2HB HIS 16 -8.121 6.570 0.127 90 HD1 HIS 16 1HD HIS 16 -10.050 5.183 0.841 91 HD2 HIS 16 2HD HIS 16 -8.083 6.900 4.073 92 HE1 HIS 16 1HE HIS 16 -11.434 4.599 2.858 93 HE2 HIS 16 2HE HIS 16 -10.271 5.721 4.790 94 H VAL 17 H VAL 17 -5.848 8.308 2.073 95 HA VAL 17 HA VAL 17 -4.329 7.327 4.393 96 HB VAL 17 HB VAL 17 -3.042 8.797 2.958 97 HG11 VAL 17 1HG1 VAL 17 -5.515 10.246 2.809 98 HG12 VAL 17 2HG1 VAL 17 -4.209 11.321 3.314 99 HG13 VAL 17 3HG1 VAL 17 -4.067 10.402 1.815 100 HG21 VAL 17 3HG2 VAL 17 -2.089 9.973 4.649 101 HG22 VAL 17 1HG2 VAL 17 -3.628 10.635 5.202 102 HG23 VAL 17 2HG2 VAL 17 -3.177 8.983 5.622 103 H THR 18 H THR 18 -4.882 7.881 6.444 104 HA THR 18 HA THR 18 -7.431 9.314 6.766 105 HB THR 18 HB THR 18 -7.288 6.947 7.606 106 HG1 THR 18 1HG THR 18 -8.063 7.693 9.828 107 HG21 THR 18 3HG2 THR 18 -5.681 6.281 9.006 108 HG22 THR 18 1HG2 THR 18 -5.970 7.643 10.087 109 HG23 THR 18 2HG2 THR 18 -4.884 7.825 8.709 110 H GLY 19 H GLY 19 -4.182 9.829 7.022 111 HA2 GLY 19 1HA GLY 19 -4.414 12.313 8.287 112 HA3 GLY 19 2HA GLY 19 -3.914 11.146 9.501 113 H LEU 20 H LEU 20 -3.065 12.313 6.252 114 HA LEU 20 HA LEU 20 -0.450 11.256 6.245 115 HB2 LEU 20 1HB LEU 20 -0.196 12.284 4.232 116 HB3 LEU 20 2HB LEU 20 -1.955 12.281 4.345 117 HG LEU 20 HG LEU 20 -0.110 14.609 4.865 118 HD11 LEU 20 1HD1 LEU 20 -1.357 13.612 2.516 119 HD12 LEU 20 2HD1 LEU 20 -0.390 15.073 2.718 120 HD13 LEU 20 3HD1 LEU 20 -2.136 15.132 2.956 121 HD21 LEU 20 3HD2 LEU 20 -2.612 15.644 4.827 122 HD22 LEU 20 1HD2 LEU 20 -1.723 15.242 6.297 123 HD23 LEU 20 2HD2 LEU 20 -2.900 14.104 5.639 124 H THR 21 H THR 21 1.528 12.707 6.067 125 HA THR 21 HA THR 21 1.433 15.013 7.862 126 HB THR 21 HB THR 21 3.531 12.893 8.283 127 HG1 THR 21 1HG THR 21 0.954 13.138 9.442 128 HG21 THR 21 3HG2 THR 21 2.556 15.254 9.886 129 HG22 THR 21 1HG2 THR 21 4.142 15.038 9.149 130 HG23 THR 21 2HG2 THR 21 3.661 14.033 10.516 131 H THR 22 H THR 22 3.380 16.327 7.777 132 HA THR 22 HA THR 22 4.226 16.956 5.241 133 HB THR 22 HB THR 22 6.146 18.138 6.303 134 HG1 THR 22 1HG THR 22 6.590 16.708 8.005 135 HG21 THR 22 3HG2 THR 22 4.731 19.586 7.804 136 HG22 THR 22 1HG2 THR 22 3.416 18.440 7.547 137 HG23 THR 22 2HG2 THR 22 4.087 19.333 6.182 138 H SER 23 H SER 23 5.855 14.859 7.598 139 HA SER 23 HA SER 23 7.755 14.051 5.510 140 HB2 SER 23 1HB SER 23 7.831 13.950 8.514 141 HB3 SER 23 2HB SER 23 8.893 12.919 7.555 142 HG SER 23 HG SER 23 9.563 15.203 8.236 143 H THR 24 H THR 24 5.508 12.742 7.912 144 HA THR 24 HA THR 24 5.754 10.086 6.696 145 HB THR 24 HB THR 24 4.685 9.189 8.628 146 HG1 THR 24 1HG THR 24 4.317 11.698 9.831 147 HG21 THR 24 3HG2 THR 24 6.628 11.367 9.392 148 HG22 THR 24 1HG2 THR 24 6.999 9.682 9.028 149 HG23 THR 24 2HG2 THR 24 6.097 10.091 10.487 150 H THR 25 H THR 25 3.679 8.829 6.501 151 HA THR 25 HA THR 25 1.336 10.460 5.897 152 HB THR 25 HB THR 25 2.870 8.880 3.861 153 HG1 THR 25 1HG THR 25 2.676 10.747 2.728 154 HG21 THR 25 3HG2 THR 25 0.646 7.882 3.855 155 HG22 THR 25 1HG2 THR 25 0.881 8.869 2.413 156 HG23 THR 25 2HG2 THR 25 -0.088 9.482 3.753 157 H GLU 26 H GLU 26 -0.274 9.522 6.956 158 HA GLU 26 HA GLU 26 -0.177 6.782 7.778 159 HB2 GLU 26 1HB GLU 26 -2.201 8.986 8.048 160 HB3 GLU 26 2HB GLU 26 -2.599 7.338 8.512 161 HG2 GLU 26 1HG GLU 26 -0.414 7.489 9.911 162 HG3 GLU 26 2HG GLU 26 -0.644 9.228 9.734 163 H LEU 27 H LEU 27 -2.037 5.287 7.387 164 HA LEU 27 HA LEU 27 -3.370 5.628 4.819 165 HB2 LEU 27 1HB LEU 27 -1.705 3.187 5.405 166 HB3 LEU 27 2HB LEU 27 -2.611 3.527 3.932 167 HG LEU 27 HG LEU 27 -0.219 5.106 4.874 168 HD11 LEU 27 1HD1 LEU 27 -0.483 2.718 3.109 169 HD12 LEU 27 2HD1 LEU 27 0.757 3.108 4.300 170 HD13 LEU 27 3HD1 LEU 27 0.739 3.936 2.743 171 HD21 LEU 27 3HD2 LEU 27 -0.394 6.356 2.964 172 HD22 LEU 27 1HD2 LEU 27 -2.100 6.062 3.301 173 HD23 LEU 27 2HD2 LEU 27 -1.262 5.097 2.085 174 H ALA 28 H ALA 28 -4.990 3.907 4.425 175 HA ALA 28 HA ALA 28 -5.770 2.158 6.534 176 HB1 ALA 28 3HB ALA 28 -8.047 3.402 6.793 177 HB2 ALA 28 1HB ALA 28 -6.650 3.908 7.743 178 HB3 ALA 28 2HB ALA 28 -7.112 4.813 6.300 179 H TRP 29 H TRP 29 -6.214 0.504 5.211 180 HA TRP 29 HA TRP 29 -8.214 0.951 3.095 181 HB2 TRP 29 1HB TRP 29 -7.080 -0.733 1.718 182 HB3 TRP 29 2HB TRP 29 -6.002 0.610 2.090 183 HD1 TRP 29 HD TRP 29 -6.466 -3.116 2.701 184 HE1 TRP 29 1HE TRP 29 -4.330 -4.058 3.784 185 HE3 TRP 29 3HE TRP 29 -4.024 1.277 3.631 186 HZ2 TRP 29 2HZ TRP 29 -1.928 -3.069 4.888 187 HZ3 TRP 29 3HZ TRP 29 -1.811 1.192 4.704 188 HH2 TRP 29 HH TRP 29 -0.787 -0.937 5.320 189 H ASP 30 H ASP 30 -8.923 -1.438 2.320 190 HA ASP 30 HA ASP 30 -9.560 -2.967 4.756 191 HB2 ASP 30 1HB ASP 30 -11.364 -1.881 2.656 192 HB3 ASP 30 2HB ASP 30 -11.735 -3.484 3.284 193 HA PRO 31 HA PRO 31 -8.299 -6.618 2.682 194 HB2 PRO 31 1HB PRO 31 -10.145 -8.437 3.489 195 HB3 PRO 31 2HB PRO 31 -8.899 -7.791 4.564 196 HG2 PRO 31 1HG PRO 31 -11.773 -6.995 4.301 197 HG3 PRO 31 2HG PRO 31 -10.807 -7.228 5.769 198 HD2 PRO 31 1HD PRO 31 -11.327 -4.778 4.741 199 HD3 PRO 31 2HD PRO 31 -9.819 -5.153 5.599 200 HA PRO 32 HA PRO 32 -10.440 -7.242 -1.109 201 HB2 PRO 32 1HB PRO 32 -9.833 -9.828 -1.671 202 HB3 PRO 32 2HB PRO 32 -8.653 -8.517 -1.786 203 HG2 PRO 32 1HG PRO 32 -9.069 -10.504 0.414 204 HG3 PRO 32 2HG PRO 32 -7.552 -9.925 -0.298 205 HD2 PRO 32 1HD PRO 32 -8.507 -8.988 2.056 206 HD3 PRO 32 2HD PRO 32 -7.569 -7.979 0.936 207 H VAL 33 H VAL 33 -12.559 -7.440 -1.420 208 HA VAL 33 HA VAL 33 -14.482 -8.426 0.137 209 HB VAL 33 HB VAL 33 -15.805 -9.020 -1.949 210 HG11 VAL 33 1HG1 VAL 33 -14.752 -6.344 -2.507 211 HG12 VAL 33 2HG1 VAL 33 -16.389 -6.858 -2.092 212 HG13 VAL 33 3HG1 VAL 33 -15.190 -6.615 -0.821 213 HG21 VAL 33 3HG2 VAL 33 -13.301 -9.239 -3.087 214 HG22 VAL 33 1HG2 VAL 33 -14.836 -9.170 -3.954 215 HG23 VAL 33 2HG2 VAL 33 -13.898 -7.697 -3.703 216 H LEU 34 H LEU 34 -15.082 -10.308 0.987 217 HA LEU 34 HA LEU 34 -13.686 -12.630 0.934 218 HB2 LEU 34 1HB LEU 34 -15.405 -13.588 2.077 219 HB3 LEU 34 2HB LEU 34 -15.841 -11.888 2.242 220 HG LEU 34 HG LEU 34 -17.306 -12.326 0.140 221 HD11 LEU 34 1HD1 LEU 34 -16.176 -14.847 0.411 222 HD12 LEU 34 2HD1 LEU 34 -17.556 -14.408 -0.594 223 HD13 LEU 34 3HD1 LEU 34 -17.815 -15.025 1.037 224 HD21 LEU 34 3HD2 LEU 34 -17.745 -12.737 2.987 225 HD22 LEU 34 1HD2 LEU 34 -18.892 -13.622 1.980 226 HD23 LEU 34 2HD2 LEU 34 -18.726 -11.875 1.801 227 H ALA 35 H ALA 35 -15.771 -11.434 -1.543 228 HA ALA 35 HA ALA 35 -16.352 -13.840 -2.888 229 HB1 ALA 35 3HB ALA 35 -17.674 -12.244 -3.767 230 HB2 ALA 35 1HB ALA 35 -16.487 -10.966 -3.503 231 HB3 ALA 35 2HB ALA 35 -16.338 -12.035 -4.899 232 H GLU 36 H GLU 36 -13.762 -11.451 -3.402 233 HA GLU 36 HA GLU 36 -12.411 -13.354 -5.177 234 HB2 GLU 36 1HB GLU 36 -12.018 -10.401 -4.698 235 HB3 GLU 36 2HB GLU 36 -10.917 -11.369 -5.670 236 HG2 GLU 36 1HG GLU 36 -13.834 -11.360 -6.295 237 HG3 GLU 36 2HG GLU 36 -12.815 -10.017 -6.809 238 H ARG 37 H ARG 37 -11.919 -14.658 -3.221 239 HA ARG 37 HA ARG 37 -9.425 -13.704 -1.986 240 HB2 ARG 37 1HB ARG 37 -11.774 -15.040 -0.658 241 HB3 ARG 37 2HB ARG 37 -10.165 -15.085 0.049 242 HG2 ARG 37 1HG ARG 37 -10.182 -12.561 -0.072 243 HG3 ARG 37 2HG ARG 37 -11.901 -12.689 -0.453 244 HD2 ARG 37 1HD ARG 37 -10.457 -13.361 2.074 245 HD3 ARG 37 2HD ARG 37 -11.926 -12.414 1.842 246 HE ARG 37 HE ARG 37 -12.693 -14.875 1.072 247 HH11 ARG 37 1HH1 ARG 37 -11.046 -13.702 3.906 248 HH12 ARG 37 2HH1 ARG 37 -11.684 -14.932 4.946 249 HH21 ARG 37 1HH2 ARG 37 -13.540 -16.500 2.431 250 HH22 ARG 37 2HH2 ARG 37 -13.102 -16.523 4.106 251 H ASN 38 H ASN 38 -8.428 -14.923 -3.726 252 HA ASN 38 HA ASN 38 -8.697 -17.491 -4.473 253 HB2 ASN 38 1HB ASN 38 -6.803 -15.697 -4.950 254 HB3 ASN 38 2HB ASN 38 -5.918 -16.658 -3.769 255 HD21 ASN 38 1HD2 ASN 38 -5.885 -16.216 -6.820 256 HD22 ASN 38 2HD2 ASN 38 -5.727 -17.819 -7.443 257 H GLY 39 H GLY 39 -7.365 -16.392 -1.407 258 HA2 GLY 39 1HA GLY 39 -7.803 -19.032 -0.283 259 HA3 GLY 39 2HA GLY 39 -6.126 -18.509 -0.320 260 H ARG 40 H ARG 40 -5.423 -17.574 1.470 261 HA ARG 40 HA ARG 40 -7.365 -16.123 3.145 262 HB2 ARG 40 1HB ARG 40 -5.116 -17.950 3.987 263 HB3 ARG 40 2HB ARG 40 -5.915 -16.843 5.094 264 HG2 ARG 40 1HG ARG 40 -8.077 -18.056 4.181 265 HG3 ARG 40 2HG ARG 40 -6.915 -19.344 3.856 266 HD2 ARG 40 1HD ARG 40 -6.218 -19.329 6.184 267 HD3 ARG 40 2HD ARG 40 -7.317 -17.992 6.521 268 HE ARG 40 HE ARG 40 -8.563 -20.370 5.446 269 HH11 ARG 40 1HH1 ARG 40 -7.631 -18.605 8.299 270 HH12 ARG 40 2HH1 ARG 40 -8.779 -19.400 9.324 271 HH21 ARG 40 1HH2 ARG 40 -10.079 -21.423 6.786 272 HH22 ARG 40 2HH2 ARG 40 -10.170 -21.003 8.463 273 H ILE 41 H ILE 41 -6.267 -14.569 4.676 274 HA ILE 41 HA ILE 41 -4.076 -13.206 3.255 275 HB ILE 41 HB ILE 41 -6.014 -11.928 5.179 276 HG12 ILE 41 1HG1 ILE 41 -7.376 -12.634 3.371 277 HG13 ILE 41 2HG1 ILE 41 -7.006 -10.944 3.045 278 HG21 ILE 41 1HG2 ILE 41 -4.227 -10.497 5.081 279 HG22 ILE 41 2HG2 ILE 41 -3.804 -10.963 3.434 280 HG23 ILE 41 3HG2 ILE 41 -5.185 -9.905 3.724 281 HD11 ILE 41 3HD1 ILE 41 -6.878 -12.395 1.054 282 HD12 ILE 41 1HD1 ILE 41 -5.364 -11.565 1.413 283 HD13 ILE 41 2HD1 ILE 41 -5.552 -13.272 1.817 284 H ILE 42 H ILE 42 -2.267 -12.581 4.346 285 HA ILE 42 HA ILE 42 -2.126 -13.276 7.207 286 HB ILE 42 HB ILE 42 0.323 -13.787 6.766 287 HG12 ILE 42 1HG1 ILE 42 -0.634 -14.093 3.916 288 HG13 ILE 42 2HG1 ILE 42 0.300 -12.713 4.483 289 HG21 ILE 42 1HG2 ILE 42 -0.595 -15.782 7.165 290 HG22 ILE 42 2HG2 ILE 42 -2.039 -15.396 6.232 291 HG23 ILE 42 3HG2 ILE 42 -0.599 -16.003 5.416 292 HD11 ILE 42 3HD1 ILE 42 1.808 -14.203 3.443 293 HD12 ILE 42 1HD1 ILE 42 2.078 -14.335 5.181 294 HD13 ILE 42 2HD1 ILE 42 1.165 -15.583 4.333 295 H SER 43 H SER 43 -1.119 -11.145 4.619 296 HA SER 43 HA SER 43 -0.860 -8.915 6.324 297 HB2 SER 43 1HB SER 43 1.303 -10.410 6.695 298 HB3 SER 43 2HB SER 43 1.826 -9.605 5.215 299 HG SER 43 HG SER 43 2.193 -7.888 6.351 300 H TYR 44 H TYR 44 0.327 -7.060 5.096 301 HA TYR 44 HA TYR 44 -0.182 -7.327 2.209 302 HB2 TYR 44 1HB TYR 44 -0.993 -5.020 3.989 303 HB3 TYR 44 2HB TYR 44 -1.090 -5.009 2.232 304 HD1 TYR 44 2HD TYR 44 -2.209 -7.117 5.112 305 HD2 TYR 44 1HD TYR 44 -3.124 -5.522 1.275 306 HE1 TYR 44 2HE TYR 44 -4.450 -8.122 5.236 307 HE2 TYR 44 1HE TYR 44 -5.369 -6.522 1.389 308 HH TYR 44 HH TYR 44 -6.438 -8.509 2.624 309 H THR 45 H THR 45 0.831 -5.517 0.946 310 HA THR 45 HA THR 45 3.357 -4.646 2.190 311 HB THR 45 HB THR 45 3.017 -5.561 -0.673 312 HG1 THR 45 1HG THR 45 3.025 -7.233 1.017 313 HG21 THR 45 3HG2 THR 45 4.866 -4.358 -1.027 314 HG22 THR 45 1HG2 THR 45 5.712 -5.517 -0.003 315 HG23 THR 45 2HG2 THR 45 5.068 -4.031 0.694 316 H VAL 46 H VAL 46 3.015 -2.520 2.501 317 HA VAL 46 HA VAL 46 1.583 -0.917 0.570 318 HB VAL 46 HB VAL 46 3.035 -0.099 3.090 319 HG11 VAL 46 1HG1 VAL 46 2.320 1.523 0.998 320 HG12 VAL 46 2HG1 VAL 46 0.929 1.648 2.077 321 HG13 VAL 46 3HG1 VAL 46 2.544 2.041 2.669 322 HG21 VAL 46 3HG2 VAL 46 0.249 -0.979 2.508 323 HG22 VAL 46 1HG2 VAL 46 1.278 -1.330 3.897 324 HG23 VAL 46 2HG2 VAL 46 0.511 0.251 3.745 325 H VAL 47 H VAL 47 2.706 -0.677 -1.297 326 HA VAL 47 HA VAL 47 5.527 0.073 -1.194 327 HB VAL 47 HB VAL 47 3.765 -0.526 -3.575 328 HG11 VAL 47 1HG1 VAL 47 5.380 0.290 -4.858 329 HG12 VAL 47 2HG1 VAL 47 6.275 0.784 -3.419 330 HG13 VAL 47 3HG1 VAL 47 6.541 -0.813 -4.120 331 HG21 VAL 47 3HG2 VAL 47 4.581 -2.333 -1.771 332 HG22 VAL 47 1HG2 VAL 47 4.426 -2.691 -3.491 333 HG23 VAL 47 2HG2 VAL 47 6.005 -2.299 -2.810 334 H PHE 48 H PHE 48 6.047 2.147 -1.085 335 HA PHE 48 HA PHE 48 4.275 4.113 -2.381 336 HB2 PHE 48 1HB PHE 48 5.141 5.751 -0.712 337 HB3 PHE 48 2HB PHE 48 4.237 4.426 0.015 338 HD1 PHE 48 2HD PHE 48 5.632 2.431 0.892 339 HD2 PHE 48 1HD PHE 48 7.237 6.291 0.089 340 HE1 PHE 48 2HE PHE 48 7.536 1.943 2.371 341 HE2 PHE 48 1HE PHE 48 9.145 5.808 1.566 342 HZ PHE 48 HZ PHE 48 9.296 3.632 2.710 343 H ARG 49 H ARG 49 5.157 5.629 -3.716 344 HA ARG 49 HA ARG 49 8.027 5.952 -3.906 345 HB2 ARG 49 1HB ARG 49 7.920 4.088 -5.337 346 HB3 ARG 49 2HB ARG 49 6.401 4.613 -6.051 347 HG2 ARG 49 1HG ARG 49 7.547 6.440 -7.180 348 HG3 ARG 49 2HG ARG 49 9.072 5.948 -6.440 349 HD2 ARG 49 1HD ARG 49 8.854 5.151 -8.757 350 HD3 ARG 49 2HD ARG 49 8.989 3.827 -7.602 351 HE ARG 49 HE ARG 49 6.330 4.080 -7.868 352 HH11 ARG 49 1HH1 ARG 49 8.902 3.859 -10.203 353 HH12 ARG 49 2HH1 ARG 49 7.921 3.083 -11.403 354 HH21 ARG 49 1HH2 ARG 49 5.029 3.060 -9.439 355 HH22 ARG 49 2HH2 ARG 49 5.718 2.630 -10.967 356 H ASP 50 H ASP 50 8.595 7.919 -4.694 357 HA ASP 50 HA ASP 50 6.535 9.879 -4.995 358 HB2 ASP 50 1HB ASP 50 8.599 10.511 -3.914 359 HB3 ASP 50 2HB ASP 50 9.534 10.043 -5.332 360 H ILE 51 H ILE 51 5.398 10.140 -6.791 361 HA ILE 51 HA ILE 51 6.055 9.060 -9.293 362 HB ILE 51 HB ILE 51 4.247 10.479 -10.199 363 HG12 ILE 51 1HG1 ILE 51 3.910 11.547 -7.397 364 HG13 ILE 51 2HG1 ILE 51 4.802 12.420 -8.638 365 HG21 ILE 51 1HG2 ILE 51 3.656 9.072 -7.600 366 HG22 ILE 51 2HG2 ILE 51 2.433 9.563 -8.770 367 HG23 ILE 51 3HG2 ILE 51 3.652 8.369 -9.217 368 HD11 ILE 51 3HD1 ILE 51 1.916 11.595 -8.829 369 HD12 ILE 51 1HD1 ILE 51 2.498 13.206 -8.411 370 HD13 ILE 51 2HD1 ILE 51 2.816 12.541 -10.014 371 H ASN 52 H ASN 52 7.397 11.688 -7.733 372 HA ASN 52 HA ASN 52 8.116 13.032 -10.244 373 HB2 ASN 52 1HB ASN 52 8.415 13.988 -7.388 374 HB3 ASN 52 2HB ASN 52 8.832 14.914 -8.826 375 HD21 ASN 52 1HD2 ASN 52 6.195 13.445 -7.043 376 HD22 ASN 52 2HD2 ASN 52 4.948 14.452 -7.690 377 H SER 53 H SER 53 9.269 10.722 -8.193 378 HA SER 53 HA SER 53 12.026 11.210 -9.071 379 HB2 SER 53 1HB SER 53 11.047 10.934 -6.275 380 HB3 SER 53 2HB SER 53 12.558 10.120 -6.682 381 HG SER 53 HG SER 53 12.271 12.750 -7.539 382 H GLN 54 H GLN 54 13.402 9.207 -8.721 383 HA GLN 54 HA GLN 54 11.855 6.892 -9.615 384 HB2 GLN 54 1HB GLN 54 13.949 7.863 -10.815 385 HB3 GLN 54 2HB GLN 54 14.853 7.020 -9.564 386 HG2 GLN 54 1HG GLN 54 14.782 5.574 -11.416 387 HG3 GLN 54 2HG GLN 54 13.633 4.930 -10.245 388 HE21 GLN 54 1HE2 GLN 54 13.891 4.772 -13.242 389 HE22 GLN 54 2HE2 GLN 54 12.326 5.209 -13.829 390 H GLN 55 H GLN 55 12.272 7.902 -6.756 391 HA GLN 55 HA GLN 55 13.702 5.694 -5.532 392 HB2 GLN 55 1HB GLN 55 14.019 7.837 -4.510 393 HB3 GLN 55 2HB GLN 55 12.284 8.101 -4.390 394 HG2 GLN 55 1HG GLN 55 13.435 5.740 -3.010 395 HG3 GLN 55 2HG GLN 55 13.728 7.337 -2.322 396 HE21 GLN 55 1HE2 GLN 55 11.396 4.877 -2.966 397 HE22 GLN 55 2HE2 GLN 55 10.095 5.576 -2.069 398 H GLU 56 H GLU 56 12.690 3.801 -5.401 399 HA GLU 56 HA GLU 56 9.811 3.786 -4.783 400 HB2 GLU 56 1HB GLU 56 10.681 2.707 -6.941 401 HB3 GLU 56 2HB GLU 56 11.367 1.464 -5.904 402 HG2 GLU 56 1HG GLU 56 9.025 1.161 -4.975 403 HG3 GLU 56 2HG GLU 56 8.478 2.145 -6.331 404 H LEU 57 H LEU 57 9.072 2.764 -3.002 405 HA LEU 57 HA LEU 57 10.828 0.988 -1.504 406 HB2 LEU 57 1HB LEU 57 9.604 3.459 -0.288 407 HB3 LEU 57 2HB LEU 57 10.474 2.204 0.591 408 HG LEU 57 HG LEU 57 11.871 3.655 -1.609 409 HD11 LEU 57 1HD1 LEU 57 10.630 5.248 0.050 410 HD12 LEU 57 2HD1 LEU 57 12.311 5.549 -0.388 411 HD13 LEU 57 3HD1 LEU 57 11.926 4.781 1.152 412 HD21 LEU 57 3HD2 LEU 57 12.818 2.651 1.071 413 HD22 LEU 57 1HD2 LEU 57 13.811 3.191 -0.283 414 HD23 LEU 57 2HD2 LEU 57 12.867 1.707 -0.419 415 H GLN 58 H GLN 58 9.615 0.127 0.485 416 HA GLN 58 HA GLN 58 6.752 0.166 0.391 417 HB2 GLN 58 1HB GLN 58 6.412 -2.179 -0.170 418 HB3 GLN 58 2HB GLN 58 7.222 -1.347 -1.491 419 HG2 GLN 58 1HG GLN 58 9.376 -2.247 -0.247 420 HG3 GLN 58 2HG GLN 58 8.229 -3.455 0.330 421 HE21 GLN 58 1HE2 GLN 58 9.622 -1.993 -2.542 422 HE22 GLN 58 2HE2 GLN 58 9.344 -3.339 -3.590 423 H ASN 59 H ASN 59 5.811 -1.391 2.004 424 HA ASN 59 HA ASN 59 7.695 -2.198 4.089 425 HB2 ASN 59 1HB ASN 59 5.464 -0.207 4.414 426 HB3 ASN 59 2HB ASN 59 6.011 -1.179 5.777 427 HD21 ASN 59 1HD2 ASN 59 8.601 -1.256 5.712 428 HD22 ASN 59 2HD2 ASN 59 9.317 0.317 5.705 429 H ILE 60 H ILE 60 6.498 -3.423 5.867 430 HA ILE 60 HA ILE 60 4.199 -4.893 4.774 431 HB ILE 60 HB ILE 60 6.514 -6.209 6.194 432 HG12 ILE 60 1HG1 ILE 60 5.779 -6.343 3.263 433 HG13 ILE 60 2HG1 ILE 60 7.100 -5.380 3.915 434 HG21 ILE 60 1HG2 ILE 60 5.385 -8.180 6.070 435 HG22 ILE 60 2HG2 ILE 60 4.010 -7.084 6.188 436 HG23 ILE 60 3HG2 ILE 60 4.504 -7.712 4.616 437 HD11 ILE 60 3HD1 ILE 60 6.943 -8.341 4.343 438 HD12 ILE 60 1HD1 ILE 60 7.673 -7.637 2.900 439 HD13 ILE 60 2HD1 ILE 60 8.340 -7.274 4.492 440 H THR 61 H THR 61 2.588 -5.242 6.182 441 HA THR 61 HA THR 61 3.093 -5.175 9.048 442 HB THR 61 HB THR 61 2.665 -2.823 8.518 443 HG1 THR 61 1HG THR 61 0.268 -3.675 9.710 444 HG21 THR 61 3HG2 THR 61 -0.125 -2.967 7.888 445 HG22 THR 61 1HG2 THR 61 0.791 -3.894 6.701 446 HG23 THR 61 2HG2 THR 61 1.177 -2.197 6.983 447 H THR 62 H THR 62 1.565 -6.259 10.261 448 HA THR 62 HA THR 62 -0.132 -8.071 8.783 449 HB THR 62 HB THR 62 -0.678 -8.980 11.076 450 HG1 THR 62 1HG THR 62 0.321 -6.711 11.876 451 HG21 THR 62 3HG2 THR 62 2.067 -9.353 11.354 452 HG22 THR 62 1HG2 THR 62 1.832 -9.053 9.633 453 HG23 THR 62 2HG2 THR 62 0.955 -10.360 10.428 454 H ASP 63 H ASP 63 -0.734 -5.121 9.002 455 HA ASP 63 HA ASP 63 -3.508 -5.424 9.939 456 HB2 ASP 63 1HB ASP 63 -1.525 -3.276 10.564 457 HB3 ASP 63 2HB ASP 63 -3.224 -2.836 10.408 458 H THR 64 H THR 64 -5.019 -3.882 8.942 459 HA THR 64 HA THR 64 -4.518 -3.698 6.106 460 HB THR 64 HB THR 64 -6.908 -2.531 6.308 461 HG1 THR 64 1HG THR 64 -6.651 -2.690 8.707 462 HG21 THR 64 3HG2 THR 64 -6.602 -5.496 6.760 463 HG22 THR 64 1HG2 THR 64 -6.291 -4.712 5.212 464 HG23 THR 64 2HG2 THR 64 -7.907 -4.663 5.917 465 H ARG 65 H ARG 65 -3.187 -1.910 8.219 466 HA ARG 65 HA ARG 65 -3.521 0.563 6.697 467 HB2 ARG 65 1HB ARG 65 -3.755 1.940 8.644 468 HB3 ARG 65 2HB ARG 65 -4.985 0.685 8.725 469 HG2 ARG 65 1HG ARG 65 -4.243 0.597 10.863 470 HG3 ARG 65 2HG ARG 65 -3.108 -0.541 10.136 471 HD2 ARG 65 1HD ARG 65 -1.482 1.293 9.874 472 HD3 ARG 65 2HD ARG 65 -2.614 2.386 10.669 473 HE ARG 65 HE ARG 65 -2.238 0.261 12.395 474 HH11 ARG 65 1HH1 ARG 65 -0.287 2.742 10.927 475 HH12 ARG 65 2HH1 ARG 65 0.843 2.813 12.238 476 HH21 ARG 65 1HH2 ARG 65 -0.757 0.345 14.129 477 HH22 ARG 65 2HH2 ARG 65 0.575 1.448 14.059 478 H PHE 66 H PHE 66 -1.772 2.146 7.184 479 HA PHE 66 HA PHE 66 0.579 1.307 8.547 480 HB2 PHE 66 1HB PHE 66 0.637 -0.125 6.467 481 HB3 PHE 66 2HB PHE 66 0.798 1.360 5.534 482 HD1 PHE 66 1HD PHE 66 2.446 -0.928 7.862 483 HD2 PHE 66 2HD PHE 66 2.847 2.630 5.560 484 HE1 PHE 66 1HE PHE 66 4.883 -0.993 8.192 485 HE2 PHE 66 2HE PHE 66 5.285 2.570 5.886 486 HZ PHE 66 HZ PHE 66 6.306 0.757 7.203 487 H THR 67 H THR 67 2.213 2.916 8.573 488 HA THR 67 HA THR 67 1.385 5.502 7.426 489 HB THR 67 HB THR 67 2.704 5.065 10.113 490 HG1 THR 67 1HG THR 67 0.678 5.811 10.906 491 HG21 THR 67 3HG2 THR 67 3.406 7.173 9.842 492 HG22 THR 67 1HG2 THR 67 1.715 7.643 10.003 493 HG23 THR 67 2HG2 THR 67 2.415 7.402 8.402 494 H LEU 68 H LEU 68 2.771 5.921 5.826 495 HA LEU 68 HA LEU 68 5.389 4.900 5.637 496 HB2 LEU 68 1HB LEU 68 3.977 7.158 4.244 497 HB3 LEU 68 2HB LEU 68 5.641 6.713 3.870 498 HG LEU 68 HG LEU 68 4.542 5.569 2.231 499 HD11 LEU 68 1HD1 LEU 68 4.539 3.257 2.736 500 HD12 LEU 68 2HD1 LEU 68 4.215 3.557 4.443 501 HD13 LEU 68 3HD1 LEU 68 5.779 3.990 3.754 502 HD21 LEU 68 3HD2 LEU 68 2.288 6.267 3.484 503 HD22 LEU 68 1HD2 LEU 68 2.290 4.542 3.853 504 HD23 LEU 68 2HD2 LEU 68 2.328 5.085 2.175 505 H THR 69 H THR 69 7.292 6.499 5.246 506 HA THR 69 HA THR 69 7.343 8.833 6.923 507 HB THR 69 HB THR 69 9.012 8.100 8.504 508 HG1 THR 69 1HG THR 69 8.805 5.544 7.252 509 HG21 THR 69 3HG2 THR 69 6.763 6.087 8.411 510 HG22 THR 69 1HG2 THR 69 6.649 7.710 9.090 511 HG23 THR 69 2HG2 THR 69 7.721 6.519 9.827 512 H GLY 70 H GLY 70 9.703 9.666 7.085 513 HA2 GLY 70 1HA GLY 70 11.557 10.434 5.973 514 HA3 GLY 70 2HA GLY 70 11.672 8.825 5.275 515 H LEU 71 H LEU 71 8.925 10.966 4.841 516 HA LEU 71 HA LEU 71 9.526 11.029 1.967 517 HB2 LEU 71 1HB LEU 71 6.903 11.836 3.152 518 HB3 LEU 71 2HB LEU 71 7.252 11.208 1.543 519 HG LEU 71 HG LEU 71 7.450 9.530 4.035 520 HD11 LEU 71 1HD1 LEU 71 5.210 8.674 2.745 521 HD12 LEU 71 2HD1 LEU 71 5.095 10.422 2.545 522 HD13 LEU 71 3HD1 LEU 71 5.224 9.727 4.160 523 HD21 LEU 71 3HD2 LEU 71 6.900 7.840 2.037 524 HD22 LEU 71 1HD2 LEU 71 8.545 8.296 2.483 525 HD23 LEU 71 2HD2 LEU 71 7.747 9.091 1.125 526 H LYS 72 H LYS 72 8.792 13.031 0.807 527 HA LYS 72 HA LYS 72 9.754 15.370 2.280 528 HB2 LYS 72 1HB LYS 72 10.623 14.581 -0.045 529 HB3 LYS 72 2HB LYS 72 9.160 15.337 -0.662 530 HG2 LYS 72 1HG LYS 72 9.825 17.472 0.172 531 HG3 LYS 72 2HG LYS 72 11.192 16.765 1.036 532 HD2 LYS 72 1HD LYS 72 12.279 17.521 -0.822 533 HD3 LYS 72 2HD LYS 72 11.815 15.917 -1.397 534 HE2 LYS 72 1HE LYS 72 9.726 17.007 -2.325 535 HE3 LYS 72 2HE LYS 72 10.492 18.557 -1.981 536 HZ1 LYS 72 3HZ LYS 72 11.122 16.590 -4.035 537 HZ2 LYS 72 1HZ LYS 72 12.436 17.387 -3.327 538 HZ3 LYS 72 2HZ LYS 72 11.216 18.278 -4.087 539 HA PRO 73 HA PRO 73 5.698 17.056 2.664 540 HB2 PRO 73 1HB PRO 73 6.381 19.652 3.065 541 HB3 PRO 73 2HB PRO 73 6.583 18.404 4.300 542 HG2 PRO 73 1HG PRO 73 8.612 19.564 2.429 543 HG3 PRO 73 2HG PRO 73 8.768 19.189 4.155 544 HD2 PRO 73 1HD PRO 73 9.740 17.566 2.219 545 HD3 PRO 73 2HD PRO 73 9.125 16.946 3.765 546 H ASP 74 H ASP 74 4.176 17.959 1.366 547 HA ASP 74 HA ASP 74 3.204 18.841 -0.491 548 HB2 ASP 74 1HB ASP 74 4.248 20.924 0.253 549 HB3 ASP 74 2HB ASP 74 5.738 20.492 -0.581 550 H THR 75 H THR 75 4.349 16.424 -0.904 551 HA THR 75 HA THR 75 5.121 16.610 -3.711 552 HB THR 75 HB THR 75 6.776 15.176 -1.631 553 HG1 THR 75 1HG THR 75 7.741 17.069 -1.827 554 HG21 THR 75 3HG2 THR 75 7.194 15.068 -4.611 555 HG22 THR 75 1HG2 THR 75 6.318 13.821 -3.725 556 HG23 THR 75 2HG2 THR 75 8.015 14.134 -3.362 557 H THR 76 H THR 76 3.962 15.220 -4.862 558 HA THR 76 HA THR 76 2.133 13.424 -3.721 559 HB THR 76 HB THR 76 3.205 13.425 -6.549 560 HG1 THR 76 1HG THR 76 2.023 15.155 -6.774 561 HG21 THR 76 3HG2 THR 76 1.968 11.582 -6.795 562 HG22 THR 76 1HG2 THR 76 0.548 12.592 -6.527 563 HG23 THR 76 2HG2 THR 76 1.293 11.741 -5.174 564 H TYR 77 H TYR 77 2.245 11.329 -3.164 565 HA TYR 77 HA TYR 77 4.672 9.827 -3.887 566 HB2 TYR 77 1HB TYR 77 3.438 10.257 -1.200 567 HB3 TYR 77 2HB TYR 77 4.213 8.713 -1.534 568 HD1 TYR 77 1HD TYR 77 6.642 8.690 -2.199 569 HD2 TYR 77 2HD TYR 77 4.718 12.181 -0.711 570 HE1 TYR 77 1HE TYR 77 8.837 9.675 -1.688 571 HE2 TYR 77 2HE TYR 77 6.908 13.177 -0.198 572 HH TYR 77 HH TYR 77 9.926 11.484 -0.987 573 H ASP 78 H ASP 78 3.973 8.331 -5.274 574 HA ASP 78 HA ASP 78 1.360 7.273 -5.343 575 HB2 ASP 78 1HB ASP 78 2.627 7.209 -7.355 576 HB3 ASP 78 2HB ASP 78 3.958 6.361 -6.574 577 H ILE 79 H ILE 79 0.634 6.300 -3.524 578 HA ILE 79 HA ILE 79 2.250 4.105 -2.410 579 HB ILE 79 HB ILE 79 -0.026 5.578 -1.080 580 HG12 ILE 79 1HG1 ILE 79 2.807 5.806 -0.172 581 HG13 ILE 79 2HG1 ILE 79 2.311 6.739 -1.579 582 HG21 ILE 79 1HG2 ILE 79 0.598 3.134 -0.464 583 HG22 ILE 79 2HG2 ILE 79 1.995 3.875 0.314 584 HG23 ILE 79 3HG2 ILE 79 0.365 4.320 0.820 585 HD11 ILE 79 3HD1 ILE 79 0.934 8.091 -0.367 586 HD12 ILE 79 1HD1 ILE 79 0.635 6.869 0.869 587 HD13 ILE 79 2HD1 ILE 79 2.171 7.736 0.838 588 H LYS 80 H LYS 80 1.489 2.073 -2.428 589 HA LYS 80 HA LYS 80 -1.337 1.622 -3.077 590 HB2 LYS 80 1HB LYS 80 -0.369 -0.376 -4.494 591 HB3 LYS 80 2HB LYS 80 -0.527 1.230 -5.193 592 HG2 LYS 80 1HG LYS 80 1.939 1.474 -4.262 593 HG3 LYS 80 2HG LYS 80 1.906 -0.282 -4.435 594 HD2 LYS 80 1HD LYS 80 1.224 1.690 -6.616 595 HD3 LYS 80 2HD LYS 80 2.775 0.863 -6.445 596 HE2 LYS 80 1HE LYS 80 1.484 -1.306 -6.554 597 HE3 LYS 80 2HE LYS 80 0.080 -0.349 -7.024 598 HZ1 LYS 80 3HZ LYS 80 2.459 0.207 -8.557 599 HZ2 LYS 80 1HZ LYS 80 0.872 -0.061 -9.079 600 HZ3 LYS 80 2HZ LYS 80 1.882 -1.373 -8.736 601 H VAL 81 H VAL 81 -1.571 -1.000 -3.063 602 HA VAL 81 HA VAL 81 -0.078 -2.172 -0.865 603 HB VAL 81 HB VAL 81 -2.200 -0.836 -0.038 604 HG11 VAL 81 1HG1 VAL 81 -3.517 -3.484 -0.447 605 HG12 VAL 81 2HG1 VAL 81 -4.240 -1.902 -0.144 606 HG13 VAL 81 3HG1 VAL 81 -3.569 -2.277 -1.732 607 HG21 VAL 81 3HG2 VAL 81 -2.026 -2.008 1.912 608 HG22 VAL 81 1HG2 VAL 81 -2.040 -3.574 1.100 609 HG23 VAL 81 2HG2 VAL 81 -0.574 -2.595 1.101 610 H ARG 82 H ARG 82 -0.645 -4.465 -0.526 611 HA ARG 82 HA ARG 82 -2.181 -5.776 -2.597 612 HB2 ARG 82 1HB ARG 82 -0.203 -7.255 -3.200 613 HB3 ARG 82 2HB ARG 82 -0.176 -5.616 -3.838 614 HG2 ARG 82 1HG ARG 82 1.587 -4.988 -2.543 615 HG3 ARG 82 2HG ARG 82 1.181 -6.117 -1.248 616 HD2 ARG 82 1HD ARG 82 3.248 -6.733 -2.453 617 HD3 ARG 82 2HD ARG 82 1.999 -7.973 -2.550 618 HE ARG 82 HE ARG 82 1.565 -6.630 -4.807 619 HH11 ARG 82 1HH1 ARG 82 4.525 -7.775 -3.376 620 HH12 ARG 82 2HH1 ARG 82 5.326 -7.999 -4.896 621 HH21 ARG 82 1HH2 ARG 82 2.608 -6.920 -6.814 622 HH22 ARG 82 2HH2 ARG 82 4.235 -7.511 -6.851 623 H ALA 83 H ALA 83 -3.021 -7.660 -1.897 624 HA ALA 83 HA ALA 83 -2.538 -8.421 0.845 625 HB1 ALA 83 3HB ALA 83 -4.510 -9.571 0.745 626 HB2 ALA 83 1HB ALA 83 -4.781 -8.394 -0.540 627 HB3 ALA 83 2HB ALA 83 -4.283 -10.038 -0.940 628 H TRP 84 H TRP 84 -1.580 -10.262 1.588 629 HA TRP 84 HA TRP 84 -0.257 -11.954 -0.431 630 HB2 TRP 84 1HB TRP 84 0.686 -11.059 2.293 631 HB3 TRP 84 2HB TRP 84 1.439 -12.388 1.417 632 HD1 TRP 84 HD TRP 84 0.513 -8.707 0.545 633 HE1 TRP 84 1HE TRP 84 2.491 -7.689 -0.750 634 HE3 TRP 84 3HE TRP 84 3.606 -12.777 0.459 635 HZ2 TRP 84 2HZ TRP 84 5.027 -8.504 -1.684 636 HZ3 TRP 84 3HZ TRP 84 5.790 -12.575 -0.656 637 HH2 TRP 84 HH TRP 84 6.484 -10.482 -1.705 638 H THR 85 H THR 85 -0.582 -14.098 -0.352 639 HA THR 85 HA THR 85 -2.247 -15.131 1.842 640 HB THR 85 HB THR 85 -2.741 -17.023 0.240 641 HG1 THR 85 1HG THR 85 -1.156 -16.866 -1.281 642 HG21 THR 85 3HG2 THR 85 -4.609 -15.826 0.028 643 HG22 THR 85 1HG2 THR 85 -3.880 -15.027 -1.364 644 HG23 THR 85 2HG2 THR 85 -3.724 -14.316 0.242 645 H SER 86 H SER 86 -1.873 -17.393 2.485 646 HA SER 86 HA SER 86 0.636 -17.865 3.463 647 HB2 SER 86 1HB SER 86 -0.043 -20.170 3.832 648 HB3 SER 86 2HB SER 86 -1.417 -19.105 4.128 649 HG SER 86 HG SER 86 -2.124 -20.794 2.866 650 H LYS 87 H LYS 87 -0.501 -18.366 0.243 651 HA LYS 87 HA LYS 87 1.637 -20.136 -0.534 652 HB2 LYS 87 1HB LYS 87 -0.533 -18.695 -2.043 653 HB3 LYS 87 2HB LYS 87 0.735 -19.584 -2.875 654 HG2 LYS 87 1HG LYS 87 -0.827 -21.219 -2.761 655 HG3 LYS 87 2HG LYS 87 -0.032 -21.498 -1.209 656 HD2 LYS 87 1HD LYS 87 -1.746 -20.415 -0.017 657 HD3 LYS 87 2HD LYS 87 -2.399 -19.665 -1.475 658 HE2 LYS 87 1HE LYS 87 -2.947 -21.979 -2.291 659 HE3 LYS 87 2HE LYS 87 -2.511 -22.571 -0.688 660 HZ1 LYS 87 3HZ LYS 87 -4.218 -20.647 -0.041 661 HZ2 LYS 87 1HZ LYS 87 -4.694 -22.246 -0.319 662 HZ3 LYS 87 2HZ LYS 87 -4.860 -21.089 -1.542 663 H GLY 88 H GLY 88 0.730 -16.820 -1.512 664 HA2 GLY 88 1HA GLY 88 3.416 -15.873 -1.287 665 HA3 GLY 88 2HA GLY 88 2.981 -16.176 -2.963 666 H SER 89 H SER 89 2.670 -14.247 -3.870 667 HA SER 89 HA SER 89 0.883 -12.355 -2.486 668 HB2 SER 89 1HB SER 89 3.220 -11.538 -2.553 669 HB3 SER 89 2HB SER 89 3.199 -11.662 -4.312 670 HG SER 89 HG SER 89 2.619 -9.615 -4.010 671 H GLY 90 H GLY 90 -0.050 -10.711 -4.113 672 HA2 GLY 90 1HA GLY 90 -0.745 -12.103 -6.623 673 HA3 GLY 90 2HA GLY 90 -1.982 -11.360 -5.619 674 HA PRO 91 HA PRO 91 -1.133 -8.130 -8.676 675 HB2 PRO 91 1HB PRO 91 -3.522 -6.886 -8.333 676 HB3 PRO 91 2HB PRO 91 -3.321 -8.313 -9.356 677 HG2 PRO 91 1HG PRO 91 -4.345 -8.124 -6.550 678 HG3 PRO 91 2HG PRO 91 -4.967 -9.083 -7.905 679 HD2 PRO 91 1HD PRO 91 -3.430 -10.151 -5.948 680 HD3 PRO 91 2HD PRO 91 -3.386 -10.736 -7.624 681 H LEU 92 H LEU 92 -1.622 -5.643 -8.448 682 HA LEU 92 HA LEU 92 -0.950 -4.818 -5.701 683 HB2 LEU 92 1HB LEU 92 0.351 -4.188 -8.287 684 HB3 LEU 92 2HB LEU 92 0.216 -2.877 -7.117 685 HG LEU 92 HG LEU 92 1.429 -5.510 -6.348 686 HD11 LEU 92 1HD1 LEU 92 2.573 -4.683 -8.384 687 HD12 LEU 92 2HD1 LEU 92 3.606 -4.697 -6.956 688 HD13 LEU 92 3HD1 LEU 92 2.924 -3.178 -7.535 689 HD21 LEU 92 3HD2 LEU 92 1.232 -2.776 -5.233 690 HD22 LEU 92 1HD2 LEU 92 2.755 -3.630 -4.989 691 HD23 LEU 92 2HD2 LEU 92 1.246 -4.340 -4.416 692 H SER 93 H SER 93 -2.448 -3.542 -4.863 693 HA SER 93 HA SER 93 -4.674 -2.558 -6.158 694 HB2 SER 93 1HB SER 93 -5.201 -1.451 -4.177 695 HB3 SER 93 2HB SER 93 -4.089 -2.697 -3.611 696 HG SER 93 HG SER 93 -3.386 -0.016 -4.231 697 HA PRO 94 HA PRO 94 -3.480 0.999 -8.434 698 HB2 PRO 94 1HB PRO 94 -5.669 2.578 -8.145 699 HB3 PRO 94 2HB PRO 94 -5.658 1.126 -9.153 700 HG2 PRO 94 1HG PRO 94 -6.694 1.491 -6.368 701 HG3 PRO 94 2HG PRO 94 -7.424 0.616 -7.727 702 HD2 PRO 94 1HD PRO 94 -6.091 -0.641 -5.733 703 HD3 PRO 94 2HD PRO 94 -6.102 -1.244 -7.403 704 H SER 95 H SER 95 -1.931 2.332 -7.741 705 HA SER 95 HA SER 95 -1.550 3.354 -5.227 706 HB2 SER 95 1HB SER 95 -0.397 5.317 -6.660 707 HB3 SER 95 2HB SER 95 0.317 3.713 -6.494 708 HG SER 95 HG SER 95 0.181 3.621 -8.580 709 H ILE 96 H ILE 96 -1.839 5.448 -4.296 710 HA ILE 96 HA ILE 96 -4.281 6.781 -5.255 711 HB ILE 96 HB ILE 96 -4.323 7.726 -2.875 712 HG12 ILE 96 1HG1 ILE 96 -2.397 5.426 -2.476 713 HG13 ILE 96 2HG1 ILE 96 -2.031 7.133 -2.255 714 HG21 ILE 96 1HG2 ILE 96 -5.612 5.914 -2.095 715 HG22 ILE 96 2HG2 ILE 96 -5.765 5.885 -3.851 716 HG23 ILE 96 3HG2 ILE 96 -4.687 4.748 -3.041 717 HD11 ILE 96 3HD1 ILE 96 -4.093 6.921 -0.577 718 HD12 ILE 96 1HD1 ILE 96 -3.497 5.263 -0.510 719 HD13 ILE 96 2HD1 ILE 96 -2.425 6.603 -0.101 720 H GLN 97 H GLN 97 -0.936 7.231 -4.451 721 HA GLN 97 HA GLN 97 0.493 8.977 -4.739 722 HB2 GLN 97 1HB GLN 97 -1.761 9.664 -6.558 723 HB3 GLN 97 2HB GLN 97 -0.587 10.925 -6.203 724 HG2 GLN 97 1HG GLN 97 1.084 9.888 -7.335 725 HG3 GLN 97 2HG GLN 97 0.461 8.273 -7.000 726 HE21 GLN 97 1HE2 GLN 97 -0.132 7.270 -8.770 727 HE22 GLN 97 2HE2 GLN 97 -0.885 7.985 -10.151 728 H SER 98 H SER 98 -0.588 8.983 -2.332 729 HA SER 98 HA SER 98 -2.014 11.365 -1.669 730 HB2 SER 98 1HB SER 98 -1.897 9.125 -0.365 731 HB3 SER 98 2HB SER 98 -0.400 9.771 0.307 732 HG SER 98 HG SER 98 -1.896 11.718 0.693 733 H ARG 99 H ARG 99 -1.068 13.275 -2.040 734 HA ARG 99 HA ARG 99 1.759 13.682 -1.767 735 HB2 ARG 99 1HB ARG 99 0.524 14.912 -3.457 736 HB3 ARG 99 2HB ARG 99 -0.508 15.627 -2.226 737 HG2 ARG 99 1HG ARG 99 1.307 16.905 -1.346 738 HG3 ARG 99 2HG ARG 99 2.464 16.063 -2.378 739 HD2 ARG 99 1HD ARG 99 2.048 18.172 -3.385 740 HD3 ARG 99 2HD ARG 99 1.203 16.965 -4.354 741 HE ARG 99 HE ARG 99 -0.399 18.231 -2.310 742 HH11 ARG 99 1HH1 ARG 99 0.667 18.296 -5.623 743 HH12 ARG 99 2HH1 ARG 99 -0.677 19.240 -6.174 744 HH21 ARG 99 1HH2 ARG 99 -2.173 19.475 -3.023 745 HH22 ARG 99 2HH2 ARG 99 -2.292 19.911 -4.694 746 H THR 100 H THR 100 2.711 13.841 0.147 747 HA THR 100 HA THR 100 1.592 14.119 2.615 748 HB THR 100 HB THR 100 3.752 14.899 3.450 749 HG1 THR 100 1HG THR 100 4.233 15.407 0.698 750 HG21 THR 100 3HG2 THR 100 3.607 12.549 2.969 751 HG22 THR 100 1HG2 THR 100 5.195 13.118 2.457 752 HG23 THR 100 2HG2 THR 100 3.933 12.831 1.259 753 H MET 101 H MET 101 1.337 15.844 4.106 754 HA MET 101 HA MET 101 0.122 18.149 3.030 755 HB2 MET 101 1HB MET 101 -0.391 18.724 5.206 756 HB3 MET 101 2HB MET 101 -0.145 16.990 5.364 757 HG2 MET 101 1HG MET 101 2.033 17.309 6.277 758 HG3 MET 101 2HG MET 101 1.986 19.034 5.922 759 HE1 MET 101 3HE MET 101 -0.039 16.286 7.309 760 HE2 MET 101 1HE MET 101 -0.083 16.588 9.046 761 HE3 MET 101 2HE MET 101 -1.342 17.252 8.004 762 HA PRO 102 HA PRO 102 3.581 20.779 2.298 763 HB2 PRO 102 1HB PRO 102 2.296 23.170 2.342 764 HB3 PRO 102 2HB PRO 102 2.158 22.029 0.998 765 HG2 PRO 102 1HG PRO 102 0.279 22.504 3.280 766 HG3 PRO 102 2HG PRO 102 -0.086 22.265 1.561 767 HD2 PRO 102 1HD PRO 102 -0.338 20.287 3.393 768 HD3 PRO 102 2HD PRO 102 0.121 19.974 1.706 769 H VAL 103 H VAL 103 4.752 20.449 4.233 770 HA VAL 103 HA VAL 103 4.294 21.249 6.769 771 HB VAL 103 HB VAL 103 6.370 20.133 6.028 772 HG11 VAL 103 1HG1 VAL 103 7.575 21.032 4.395 773 HG12 VAL 103 2HG1 VAL 103 6.642 22.528 4.474 774 HG13 VAL 103 3HG1 VAL 103 8.057 22.314 5.505 775 HG21 VAL 103 3HG2 VAL 103 7.889 21.865 7.446 776 HG22 VAL 103 1HG2 VAL 103 6.271 22.392 7.909 777 HG23 VAL 103 2HG2 VAL 103 6.761 20.718 8.169 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.567 -11.840 -19.413 2 HA2 GLY 1 1HA GLY 1 2.445 -13.413 -17.935 3 HA3 GLY 1 2HA GLY 1 1.007 -13.242 -16.939 4 H SER 2 H SER 2 1.838 -15.718 -17.168 5 HA SER 2 HA SER 2 0.194 -16.939 -19.286 6 HB2 SER 2 1HB SER 2 2.519 -18.163 -17.780 7 HB3 SER 2 2HB SER 2 1.614 -18.922 -19.089 8 HG SER 2 HG SER 2 3.455 -16.808 -19.181 9 H SER 3 H SER 3 -0.488 -19.274 -18.570 10 HA SER 3 HA SER 3 -2.216 -18.925 -16.310 11 HB2 SER 3 1HB SER 3 -1.714 -21.356 -18.045 12 HB3 SER 3 2HB SER 3 -3.012 -21.203 -16.861 13 HG SER 3 HG SER 3 -3.694 -20.697 -19.000 14 H GLY 4 H GLY 4 -1.314 -18.970 -14.339 15 HA2 GLY 4 1HA GLY 4 -0.729 -20.953 -12.773 16 HA3 GLY 4 2HA GLY 4 0.723 -21.009 -13.762 17 H SER 5 H SER 5 -0.742 -19.659 -11.040 18 HA SER 5 HA SER 5 1.636 -18.257 -10.313 19 HB2 SER 5 1HB SER 5 -0.739 -16.721 -11.296 20 HB3 SER 5 2HB SER 5 0.228 -16.055 -9.981 21 HG SER 5 HG SER 5 1.812 -15.678 -11.329 22 H SER 6 H SER 6 1.833 -18.597 -8.211 23 HA SER 6 HA SER 6 -0.465 -19.370 -6.634 24 HB2 SER 6 1HB SER 6 1.113 -19.983 -4.930 25 HB3 SER 6 2HB SER 6 1.778 -20.511 -6.475 26 HG SER 6 HG SER 6 2.475 -18.154 -5.053 27 H GLY 7 H GLY 7 -1.682 -17.970 -5.562 28 HA2 GLY 7 1HA GLY 7 -1.136 -16.217 -3.655 29 HA3 GLY 7 2HA GLY 7 -0.673 -15.275 -5.065 30 HA PRO 8 HA PRO 8 -5.277 -14.852 -4.095 31 HB2 PRO 8 1HB PRO 8 -5.232 -12.223 -3.423 32 HB3 PRO 8 2HB PRO 8 -5.005 -13.520 -2.243 33 HG2 PRO 8 1HG PRO 8 -2.954 -11.819 -3.607 34 HG3 PRO 8 2HG PRO 8 -3.043 -12.318 -1.908 35 HD2 PRO 8 1HD PRO 8 -1.417 -13.533 -3.700 36 HD3 PRO 8 2HD PRO 8 -2.162 -14.403 -2.344 37 H SER 9 H SER 9 -6.752 -13.951 -5.508 38 HA SER 9 HA SER 9 -5.597 -12.505 -7.801 39 HB2 SER 9 1HB SER 9 -7.298 -13.507 -9.195 40 HB3 SER 9 2HB SER 9 -6.500 -14.789 -8.285 41 HG SER 9 HG SER 9 -8.722 -15.086 -8.185 42 H GLY 10 H GLY 10 -6.526 -11.257 -5.363 43 HA2 GLY 10 1HA GLY 10 -8.395 -9.389 -6.570 44 HA3 GLY 10 2HA GLY 10 -8.997 -10.244 -5.158 45 H PHE 11 H PHE 11 -7.936 -7.376 -5.973 46 HA PHE 11 HA PHE 11 -6.062 -6.980 -3.769 47 HB2 PHE 11 1HB PHE 11 -5.932 -4.635 -4.696 48 HB3 PHE 11 2HB PHE 11 -5.393 -5.903 -5.792 49 HD1 PHE 11 2HD PHE 11 -6.864 -6.616 -7.662 50 HD2 PHE 11 1HD PHE 11 -7.763 -3.243 -5.228 51 HE1 PHE 11 2HE PHE 11 -8.432 -5.804 -9.374 52 HE2 PHE 11 1HE PHE 11 -9.334 -2.425 -6.935 53 HZ PHE 11 HZ PHE 11 -9.669 -3.705 -9.012 54 HA PRO 12 HA PRO 12 -8.988 -5.289 -0.970 55 HB2 PRO 12 1HB PRO 12 -7.498 -3.393 0.279 56 HB3 PRO 12 2HB PRO 12 -7.268 -5.125 0.546 57 HG2 PRO 12 1HG PRO 12 -5.723 -3.258 -1.211 58 HG3 PRO 12 2HG PRO 12 -5.125 -4.531 -0.132 59 HD2 PRO 12 1HD PRO 12 -5.348 -4.875 -2.808 60 HD3 PRO 12 2HD PRO 12 -5.572 -6.204 -1.653 61 H GLN 13 H GLN 13 -9.873 -3.120 -0.172 62 HA GLN 13 HA GLN 13 -9.811 -1.087 -2.290 63 HB2 GLN 13 1HB GLN 13 -12.410 -1.705 -0.954 64 HB3 GLN 13 2HB GLN 13 -12.107 -1.004 -2.538 65 HG2 GLN 13 1HG GLN 13 -11.426 -3.857 -1.935 66 HG3 GLN 13 2HG GLN 13 -13.049 -3.375 -2.425 67 HE21 GLN 13 1HE2 GLN 13 -12.243 -5.016 -4.118 68 HE22 GLN 13 2HE2 GLN 13 -11.539 -4.327 -5.538 69 H ASN 14 H ASN 14 -11.357 0.830 -1.391 70 HA ASN 14 HA ASN 14 -11.477 2.582 0.053 71 HB2 ASN 14 1HB ASN 14 -11.521 0.199 1.836 72 HB3 ASN 14 2HB ASN 14 -11.246 1.766 2.591 73 HD21 ASN 14 1HD2 ASN 14 -13.305 0.581 -0.047 74 HD22 ASN 14 2HD2 ASN 14 -14.774 1.246 0.575 75 H LEU 15 H LEU 15 -8.908 1.834 -1.042 76 HA LEU 15 HA LEU 15 -6.931 2.182 1.014 77 HB2 LEU 15 1HB LEU 15 -6.606 0.904 -1.129 78 HB3 LEU 15 2HB LEU 15 -6.564 2.457 -1.962 79 HG LEU 15 HG LEU 15 -4.580 3.067 -0.577 80 HD11 LEU 15 1HD1 LEU 15 -5.041 0.298 0.440 81 HD12 LEU 15 2HD1 LEU 15 -4.620 1.765 1.323 82 HD13 LEU 15 3HD1 LEU 15 -3.401 0.942 0.351 83 HD21 LEU 15 3HD2 LEU 15 -4.026 2.412 -2.728 84 HD22 LEU 15 1HD2 LEU 15 -4.574 0.754 -2.475 85 HD23 LEU 15 2HD2 LEU 15 -3.070 1.308 -1.737 86 H HIS 16 H HIS 16 -6.605 4.069 1.975 87 HA HIS 16 HA HIS 16 -6.013 6.424 0.478 88 HB2 HIS 16 1HB HIS 16 -7.840 7.807 1.577 89 HB3 HIS 16 2HB HIS 16 -8.358 6.730 0.283 90 HD1 HIS 16 1HD HIS 16 -10.273 5.251 0.821 91 HD2 HIS 16 2HD HIS 16 -8.361 6.627 4.244 92 HE1 HIS 16 1HE HIS 16 -11.662 4.421 2.747 93 HE2 HIS 16 2HE HIS 16 -10.533 5.338 4.803 94 H VAL 17 H VAL 17 -5.912 8.379 2.136 95 HA VAL 17 HA VAL 17 -4.443 7.348 4.463 96 HB VAL 17 HB VAL 17 -4.322 10.099 3.217 97 HG11 VAL 17 1HG1 VAL 17 -3.306 8.987 5.702 98 HG12 VAL 17 2HG1 VAL 17 -2.030 9.679 4.697 99 HG13 VAL 17 3HG1 VAL 17 -3.413 10.666 5.174 100 HG21 VAL 17 3HG2 VAL 17 -3.433 8.129 1.858 101 HG22 VAL 17 1HG2 VAL 17 -2.327 9.471 2.151 102 HG23 VAL 17 2HG2 VAL 17 -2.186 7.989 3.097 103 H THR 18 H THR 18 -5.124 7.726 6.477 104 HA THR 18 HA THR 18 -7.604 9.209 6.841 105 HB THR 18 HB THR 18 -7.493 7.017 7.877 106 HG1 THR 18 1HG THR 18 -7.280 8.925 9.972 107 HG21 THR 18 3HG2 THR 18 -4.845 7.643 8.389 108 HG22 THR 18 1HG2 THR 18 -5.710 6.221 8.971 109 HG23 THR 18 2HG2 THR 18 -5.596 7.661 9.984 110 H GLY 19 H GLY 19 -4.255 9.678 7.223 111 HA2 GLY 19 1HA GLY 19 -4.562 12.344 8.114 112 HA3 GLY 19 2HA GLY 19 -4.099 11.325 9.469 113 H LEU 20 H LEU 20 -3.134 12.326 6.216 114 HA LEU 20 HA LEU 20 -0.539 11.206 6.314 115 HB2 LEU 20 1HB LEU 20 -0.210 12.157 4.274 116 HB3 LEU 20 2HB LEU 20 -1.971 12.179 4.334 117 HG LEU 20 HG LEU 20 -0.070 14.481 4.702 118 HD11 LEU 20 1HD1 LEU 20 -2.303 14.925 2.971 119 HD12 LEU 20 2HD1 LEU 20 -1.473 13.441 2.502 120 HD13 LEU 20 3HD1 LEU 20 -0.579 14.958 2.600 121 HD21 LEU 20 3HD2 LEU 20 -2.831 14.121 5.691 122 HD22 LEU 20 1HD2 LEU 20 -2.472 15.649 4.886 123 HD23 LEU 20 2HD2 LEU 20 -1.532 15.151 6.293 124 H THR 21 H THR 21 1.440 12.719 6.041 125 HA THR 21 HA THR 21 1.330 15.033 7.819 126 HB THR 21 HB THR 21 3.559 13.095 8.282 127 HG1 THR 21 1HG THR 21 1.514 11.944 8.504 128 HG21 THR 21 3HG2 THR 21 2.633 14.241 10.660 129 HG22 THR 21 1HG2 THR 21 2.540 15.526 9.457 130 HG23 THR 21 2HG2 THR 21 4.070 14.699 9.746 131 H THR 22 H THR 22 3.385 16.275 7.790 132 HA THR 22 HA THR 22 4.184 16.895 5.203 133 HB THR 22 HB THR 22 6.092 18.120 6.266 134 HG1 THR 22 1HG THR 22 6.356 16.630 8.042 135 HG21 THR 22 3HG2 THR 22 3.447 18.544 7.658 136 HG22 THR 22 1HG2 THR 22 3.819 19.104 6.028 137 HG23 THR 22 2HG2 THR 22 4.716 19.742 7.406 138 H SER 23 H SER 23 5.718 14.789 7.595 139 HA SER 23 HA SER 23 7.710 14.007 5.579 140 HB2 SER 23 1HB SER 23 7.692 13.889 8.586 141 HB3 SER 23 2HB SER 23 8.807 12.898 7.645 142 HG SER 23 HG SER 23 9.231 15.100 6.581 143 H THR 24 H THR 24 5.412 12.687 7.928 144 HA THR 24 HA THR 24 5.676 10.045 6.677 145 HB THR 24 HB THR 24 4.666 9.099 8.609 146 HG1 THR 24 1HG THR 24 3.392 10.207 9.926 147 HG21 THR 24 3HG2 THR 24 6.607 11.289 9.323 148 HG22 THR 24 1HG2 THR 24 6.946 9.580 9.049 149 HG23 THR 24 2HG2 THR 24 6.056 10.084 10.487 150 H THR 25 H THR 25 3.606 8.781 6.488 151 HA THR 25 HA THR 25 1.247 10.416 5.952 152 HB THR 25 HB THR 25 2.751 8.865 3.874 153 HG1 THR 25 1HG THR 25 2.523 11.344 4.284 154 HG21 THR 25 3HG2 THR 25 0.724 8.887 2.458 155 HG22 THR 25 1HG2 THR 25 -0.216 9.432 3.847 156 HG23 THR 25 2HG2 THR 25 0.550 7.843 3.869 157 H GLU 26 H GLU 26 -0.351 9.464 7.018 158 HA GLU 26 HA GLU 26 -0.235 6.711 7.803 159 HB2 GLU 26 1HB GLU 26 -2.297 8.881 8.126 160 HB3 GLU 26 2HB GLU 26 -2.603 7.229 8.645 161 HG2 GLU 26 1HG GLU 26 -0.434 7.455 9.987 162 HG3 GLU 26 2HG GLU 26 -0.602 9.187 9.703 163 H LEU 27 H LEU 27 -2.049 5.195 7.406 164 HA LEU 27 HA LEU 27 -3.460 5.588 4.883 165 HB2 LEU 27 1HB LEU 27 -1.731 3.174 5.401 166 HB3 LEU 27 2HB LEU 27 -2.726 3.465 3.975 167 HG LEU 27 HG LEU 27 -0.337 5.129 4.765 168 HD11 LEU 27 1HD1 LEU 27 -0.605 2.892 2.765 169 HD12 LEU 27 2HD1 LEU 27 0.425 2.928 4.195 170 HD13 LEU 27 3HD1 LEU 27 0.759 4.007 2.841 171 HD21 LEU 27 3HD2 LEU 27 -1.521 5.056 2.037 172 HD22 LEU 27 1HD2 LEU 27 -0.660 6.355 2.864 173 HD23 LEU 27 2HD2 LEU 27 -2.336 6.001 3.284 174 H ALA 28 H ALA 28 -5.031 3.783 4.477 175 HA ALA 28 HA ALA 28 -5.770 2.002 6.548 176 HB1 ALA 28 3HB ALA 28 -8.071 3.354 6.809 177 HB2 ALA 28 1HB ALA 28 -6.703 3.549 7.905 178 HB3 ALA 28 2HB ALA 28 -6.957 4.705 6.596 179 H TRP 29 H TRP 29 -6.276 0.410 5.172 180 HA TRP 29 HA TRP 29 -8.338 0.965 3.143 181 HB2 TRP 29 1HB TRP 29 -7.273 -0.751 1.711 182 HB3 TRP 29 2HB TRP 29 -6.207 0.616 2.023 183 HD1 TRP 29 HD TRP 29 -6.576 -3.113 2.705 184 HE1 TRP 29 1HE TRP 29 -4.367 -4.004 3.681 185 HE3 TRP 29 3HE TRP 29 -4.156 1.332 3.426 186 HZ2 TRP 29 2HZ TRP 29 -1.923 -2.960 4.632 187 HZ3 TRP 29 3HZ TRP 29 -1.886 1.299 4.374 188 HH2 TRP 29 HH TRP 29 -0.794 -0.804 4.964 189 H ASP 30 H ASP 30 -9.128 -1.375 2.314 190 HA ASP 30 HA ASP 30 -9.772 -2.937 4.729 191 HB2 ASP 30 1HB ASP 30 -12.003 -3.008 4.209 192 HB3 ASP 30 2HB ASP 30 -11.605 -1.440 3.510 193 HA PRO 31 HA PRO 31 -8.439 -6.562 2.652 194 HB2 PRO 31 1HB PRO 31 -10.207 -8.413 3.556 195 HB3 PRO 31 2HB PRO 31 -8.938 -7.720 4.572 196 HG2 PRO 31 1HG PRO 31 -11.839 -7.000 4.409 197 HG3 PRO 31 2HG PRO 31 -10.812 -7.187 5.842 198 HD2 PRO 31 1HD PRO 31 -11.432 -4.766 4.800 199 HD3 PRO 31 2HD PRO 31 -9.883 -5.090 5.605 200 HA PRO 32 HA PRO 32 -10.703 -7.409 -1.021 201 HB2 PRO 32 1HB PRO 32 -10.261 -10.058 -1.416 202 HB3 PRO 32 2HB PRO 32 -9.009 -8.831 -1.642 203 HG2 PRO 32 1HG PRO 32 -9.491 -10.637 0.696 204 HG3 PRO 32 2HG PRO 32 -7.959 -10.199 -0.082 205 HD2 PRO 32 1HD PRO 32 -8.805 -9.050 2.219 206 HD3 PRO 32 2HD PRO 32 -7.834 -8.177 1.016 207 H VAL 33 H VAL 33 -12.662 -8.148 -1.807 208 HA VAL 33 HA VAL 33 -14.668 -8.779 0.063 209 HB VAL 33 HB VAL 33 -16.065 -9.294 -1.994 210 HG11 VAL 33 1HG1 VAL 33 -16.524 -7.084 -2.245 211 HG12 VAL 33 2HG1 VAL 33 -15.483 -6.969 -0.824 212 HG13 VAL 33 3HG1 VAL 33 -14.828 -6.639 -2.429 213 HG21 VAL 33 3HG2 VAL 33 -15.146 -9.477 -4.018 214 HG22 VAL 33 1HG2 VAL 33 -14.181 -8.018 -3.793 215 HG23 VAL 33 2HG2 VAL 33 -13.587 -9.568 -3.198 216 H LEU 34 H LEU 34 -15.582 -10.660 0.700 217 HA LEU 34 HA LEU 34 -14.246 -13.020 0.792 218 HB2 LEU 34 1HB LEU 34 -16.234 -14.062 1.475 219 HB3 LEU 34 2HB LEU 34 -16.383 -12.380 1.978 220 HG LEU 34 HG LEU 34 -17.679 -12.167 -0.312 221 HD11 LEU 34 1HD1 LEU 34 -18.553 -14.042 -1.217 222 HD12 LEU 34 2HD1 LEU 34 -18.642 -14.883 0.329 223 HD13 LEU 34 3HD1 LEU 34 -17.104 -14.774 -0.527 224 HD21 LEU 34 3HD2 LEU 34 -19.523 -11.952 0.965 225 HD22 LEU 34 1HD2 LEU 34 -18.379 -12.155 2.292 226 HD23 LEU 34 2HD2 LEU 34 -19.317 -13.534 1.719 227 H ALA 35 H ALA 35 -15.945 -11.722 -1.916 228 HA ALA 35 HA ALA 35 -16.279 -14.165 -3.352 229 HB1 ALA 35 3HB ALA 35 -16.552 -11.272 -3.987 230 HB2 ALA 35 1HB ALA 35 -16.426 -12.420 -5.320 231 HB3 ALA 35 2HB ALA 35 -17.726 -12.580 -4.139 232 H GLU 36 H GLU 36 -13.934 -11.495 -3.577 233 HA GLU 36 HA GLU 36 -12.298 -13.073 -5.406 234 HB2 GLU 36 1HB GLU 36 -11.765 -10.285 -4.378 235 HB3 GLU 36 2HB GLU 36 -11.024 -11.069 -5.766 236 HG2 GLU 36 1HG GLU 36 -13.544 -11.209 -6.564 237 HG3 GLU 36 2HG GLU 36 -13.696 -9.819 -5.491 238 H ARG 37 H ARG 37 -11.755 -14.680 -3.790 239 HA ARG 37 HA ARG 37 -9.338 -13.948 -2.361 240 HB2 ARG 37 1HB ARG 37 -11.861 -14.832 -1.006 241 HB3 ARG 37 2HB ARG 37 -10.303 -15.282 -0.327 242 HG2 ARG 37 1HG ARG 37 -9.687 -12.993 -0.038 243 HG3 ARG 37 2HG ARG 37 -11.112 -12.448 -0.925 244 HD2 ARG 37 1HD ARG 37 -11.846 -12.163 1.221 245 HD3 ARG 37 2HD ARG 37 -12.377 -13.819 0.932 246 HE ARG 37 HE ARG 37 -10.276 -12.946 2.719 247 HH11 ARG 37 1HH1 ARG 37 -11.724 -15.604 1.000 248 HH12 ARG 37 2HH1 ARG 37 -11.055 -16.814 2.044 249 HH21 ARG 37 1HH2 ARG 37 -9.389 -14.529 4.100 250 HH22 ARG 37 2HH2 ARG 37 -9.727 -16.201 3.808 251 H ASN 38 H ASN 38 -7.970 -15.370 -3.224 252 HA ASN 38 HA ASN 38 -8.860 -18.070 -3.857 253 HB2 ASN 38 1HB ASN 38 -6.526 -16.372 -4.598 254 HB3 ASN 38 2HB ASN 38 -6.306 -18.119 -4.622 255 HD21 ASN 38 1HD2 ASN 38 -5.973 -17.009 -6.943 256 HD22 ASN 38 2HD2 ASN 38 -7.334 -17.222 -7.986 257 H GLY 39 H GLY 39 -8.650 -17.290 -1.077 258 HA2 GLY 39 1HA GLY 39 -7.780 -19.453 0.208 259 HA3 GLY 39 2HA GLY 39 -6.257 -18.630 -0.094 260 H ARG 40 H ARG 40 -5.565 -17.559 1.621 261 HA ARG 40 HA ARG 40 -7.476 -15.949 3.150 262 HB2 ARG 40 1HB ARG 40 -5.565 -17.984 4.292 263 HB3 ARG 40 2HB ARG 40 -6.260 -16.689 5.257 264 HG2 ARG 40 1HG ARG 40 -8.501 -17.528 4.783 265 HG3 ARG 40 2HG ARG 40 -7.810 -18.819 3.798 266 HD2 ARG 40 1HD ARG 40 -6.980 -19.950 5.621 267 HD3 ARG 40 2HD ARG 40 -6.890 -18.496 6.614 268 HE ARG 40 HE ARG 40 -9.572 -19.293 5.938 269 HH11 ARG 40 1HH1 ARG 40 -6.940 -19.665 8.186 270 HH12 ARG 40 2HH1 ARG 40 -7.955 -20.180 9.491 271 HH21 ARG 40 1HH2 ARG 40 -10.920 -19.970 7.649 272 HH22 ARG 40 2HH2 ARG 40 -10.219 -20.353 9.185 273 H ILE 41 H ILE 41 -6.529 -14.193 4.303 274 HA ILE 41 HA ILE 41 -4.049 -13.266 3.070 275 HB ILE 41 HB ILE 41 -5.689 -11.595 4.935 276 HG12 ILE 41 1HG1 ILE 41 -7.380 -12.465 3.485 277 HG13 ILE 41 2HG1 ILE 41 -6.994 -10.847 2.908 278 HG21 ILE 41 1HG2 ILE 41 -3.997 -10.248 4.329 279 HG22 ILE 41 2HG2 ILE 41 -3.613 -11.206 2.900 280 HG23 ILE 41 3HG2 ILE 41 -4.931 -10.034 2.849 281 HD11 ILE 41 3HD1 ILE 41 -5.576 -11.828 1.166 282 HD12 ILE 41 1HD1 ILE 41 -6.022 -13.438 1.729 283 HD13 ILE 41 2HD1 ILE 41 -7.251 -12.368 1.054 284 H ILE 42 H ILE 42 -2.226 -12.711 4.201 285 HA ILE 42 HA ILE 42 -2.213 -13.385 7.071 286 HB ILE 42 HB ILE 42 0.176 -14.046 6.769 287 HG12 ILE 42 1HG1 ILE 42 -0.512 -13.971 3.823 288 HG13 ILE 42 2HG1 ILE 42 0.525 -12.805 4.639 289 HG21 ILE 42 1HG2 ILE 42 -1.947 -15.570 6.647 290 HG22 ILE 42 2HG2 ILE 42 -1.455 -15.773 4.966 291 HG23 ILE 42 3HG2 ILE 42 -0.354 -16.226 6.267 292 HD11 ILE 42 3HD1 ILE 42 2.101 -14.578 5.179 293 HD12 ILE 42 1HD1 ILE 42 1.059 -15.755 4.382 294 HD13 ILE 42 2HD1 ILE 42 1.823 -14.473 3.441 295 H SER 43 H SER 43 -1.142 -11.230 4.549 296 HA SER 43 HA SER 43 -0.782 -9.071 6.343 297 HB2 SER 43 1HB SER 43 1.690 -8.751 5.892 298 HB3 SER 43 2HB SER 43 1.291 -10.085 6.974 299 HG SER 43 HG SER 43 2.224 -11.368 5.613 300 H TYR 44 H TYR 44 0.356 -7.178 5.146 301 HA TYR 44 HA TYR 44 -0.223 -7.313 2.268 302 HB2 TYR 44 1HB TYR 44 -1.110 -5.133 4.167 303 HB3 TYR 44 2HB TYR 44 -1.222 -5.035 2.413 304 HD1 TYR 44 2HD TYR 44 -2.278 -7.233 5.243 305 HD2 TYR 44 1HD TYR 44 -3.194 -5.680 1.389 306 HE1 TYR 44 2HE TYR 44 -4.476 -8.334 5.328 307 HE2 TYR 44 1HE TYR 44 -5.395 -6.776 1.464 308 HH TYR 44 HH TYR 44 -6.923 -7.667 3.905 309 H THR 45 H THR 45 0.838 -5.658 0.998 310 HA THR 45 HA THR 45 3.284 -4.641 2.293 311 HB THR 45 HB THR 45 2.938 -5.605 -0.552 312 HG1 THR 45 1HG THR 45 4.037 -6.687 1.786 313 HG21 THR 45 3HG2 THR 45 5.263 -5.085 -0.891 314 HG22 THR 45 1HG2 THR 45 5.437 -4.564 0.784 315 HG23 THR 45 2HG2 THR 45 4.443 -3.627 -0.333 316 H VAL 46 H VAL 46 3.335 -2.504 2.426 317 HA VAL 46 HA VAL 46 1.660 -0.899 0.655 318 HB VAL 46 HB VAL 46 3.285 -0.048 3.056 319 HG11 VAL 46 1HG1 VAL 46 2.992 1.855 1.701 320 HG12 VAL 46 2HG1 VAL 46 1.335 1.408 1.291 321 HG13 VAL 46 3HG1 VAL 46 1.724 1.954 2.923 322 HG21 VAL 46 3HG2 VAL 46 0.826 -1.460 2.892 323 HG22 VAL 46 1HG2 VAL 46 1.647 -0.842 4.326 324 HG23 VAL 46 2HG2 VAL 46 0.484 0.171 3.470 325 H VAL 47 H VAL 47 2.621 -0.543 -1.262 326 HA VAL 47 HA VAL 47 5.470 0.096 -1.361 327 HB VAL 47 HB VAL 47 3.625 -0.115 -3.730 328 HG11 VAL 47 1HG1 VAL 47 6.459 0.297 -3.321 329 HG12 VAL 47 2HG1 VAL 47 6.145 -1.110 -4.339 330 HG13 VAL 47 3HG1 VAL 47 5.496 0.468 -4.788 331 HG21 VAL 47 3HG2 VAL 47 4.828 -2.511 -3.729 332 HG22 VAL 47 1HG2 VAL 47 4.696 -2.250 -1.990 333 HG23 VAL 47 2HG2 VAL 47 3.249 -2.226 -2.998 334 H PHE 48 H PHE 48 6.020 2.153 -1.098 335 HA PHE 48 HA PHE 48 4.314 4.224 -2.316 336 HB2 PHE 48 1HB PHE 48 5.036 5.747 -0.513 337 HB3 PHE 48 2HB PHE 48 4.177 4.345 0.117 338 HD1 PHE 48 2HD PHE 48 5.747 2.319 0.772 339 HD2 PHE 48 1HD PHE 48 6.981 6.384 0.518 340 HE1 PHE 48 2HE PHE 48 7.637 1.835 2.270 341 HE2 PHE 48 1HE PHE 48 8.874 5.907 2.016 342 HZ PHE 48 HZ PHE 48 9.203 3.630 2.895 343 H ARG 49 H ARG 49 5.262 5.548 -3.735 344 HA ARG 49 HA ARG 49 8.139 5.979 -3.656 345 HB2 ARG 49 1HB ARG 49 8.175 4.119 -5.090 346 HB3 ARG 49 2HB ARG 49 6.696 4.607 -5.906 347 HG2 ARG 49 1HG ARG 49 7.924 6.526 -6.880 348 HG3 ARG 49 2HG ARG 49 9.403 5.897 -6.150 349 HD2 ARG 49 1HD ARG 49 9.378 5.147 -8.400 350 HD3 ARG 49 2HD ARG 49 8.977 3.754 -7.396 351 HE ARG 49 HE ARG 49 6.929 3.673 -8.405 352 HH11 ARG 49 1HH1 ARG 49 8.342 6.803 -8.973 353 HH12 ARG 49 2HH1 ARG 49 7.101 7.309 -10.071 354 HH21 ARG 49 1HH2 ARG 49 5.289 4.327 -9.849 355 HH22 ARG 49 2HH2 ARG 49 5.364 5.900 -10.568 356 H ASP 50 H ASP 50 8.821 7.836 -4.776 357 HA ASP 50 HA ASP 50 6.774 9.848 -5.045 358 HB2 ASP 50 1HB ASP 50 9.625 10.333 -5.813 359 HB3 ASP 50 2HB ASP 50 8.486 11.407 -5.007 360 H ILE 51 H ILE 51 5.622 10.023 -6.844 361 HA ILE 51 HA ILE 51 6.288 8.873 -9.315 362 HB ILE 51 HB ILE 51 4.452 10.218 -10.257 363 HG12 ILE 51 1HG1 ILE 51 4.076 11.402 -7.512 364 HG13 ILE 51 2HG1 ILE 51 5.012 12.225 -8.754 365 HG21 ILE 51 1HG2 ILE 51 2.659 9.364 -8.738 366 HG22 ILE 51 2HG2 ILE 51 3.860 8.161 -9.204 367 HG23 ILE 51 3HG2 ILE 51 3.925 8.896 -7.603 368 HD11 ILE 51 3HD1 ILE 51 2.142 11.384 -9.064 369 HD12 ILE 51 1HD1 ILE 51 2.673 12.996 -8.588 370 HD13 ILE 51 2HD1 ILE 51 3.092 12.364 -10.180 371 H ASN 52 H ASN 52 7.593 11.566 -7.836 372 HA ASN 52 HA ASN 52 8.227 12.910 -10.362 373 HB2 ASN 52 1HB ASN 52 8.773 13.807 -7.524 374 HB3 ASN 52 2HB ASN 52 9.018 14.764 -8.982 375 HD21 ASN 52 1HD2 ASN 52 6.648 13.316 -6.869 376 HD22 ASN 52 2HD2 ASN 52 5.311 14.280 -7.387 377 H SER 53 H SER 53 9.523 10.688 -8.182 378 HA SER 53 HA SER 53 12.198 11.068 -9.344 379 HB2 SER 53 1HB SER 53 11.426 10.875 -6.473 380 HB3 SER 53 2HB SER 53 12.908 10.060 -6.974 381 HG SER 53 HG SER 53 13.821 11.946 -7.416 382 H GLN 54 H GLN 54 13.569 8.992 -8.660 383 HA GLN 54 HA GLN 54 11.941 6.687 -9.484 384 HB2 GLN 54 1HB GLN 54 14.861 7.330 -9.864 385 HB3 GLN 54 2HB GLN 54 14.211 5.718 -10.134 386 HG2 GLN 54 1HG GLN 54 14.306 6.763 -12.240 387 HG3 GLN 54 2HG GLN 54 12.608 6.751 -11.767 388 HE21 GLN 54 1HE2 GLN 54 11.627 8.541 -12.339 389 HE22 GLN 54 2HE2 GLN 54 12.296 10.133 -12.302 390 H GLN 55 H GLN 55 12.346 7.728 -6.721 391 HA GLN 55 HA GLN 55 13.949 5.657 -5.457 392 HB2 GLN 55 1HB GLN 55 14.133 7.896 -4.555 393 HB3 GLN 55 2HB GLN 55 12.393 7.981 -4.314 394 HG2 GLN 55 1HG GLN 55 13.477 7.585 -2.211 395 HG3 GLN 55 2HG GLN 55 12.554 6.156 -2.673 396 HE21 GLN 55 1HE2 GLN 55 13.721 4.354 -3.562 397 HE22 GLN 55 2HE2 GLN 55 15.364 4.084 -3.104 398 H GLU 56 H GLU 56 12.915 3.728 -5.600 399 HA GLU 56 HA GLU 56 10.082 3.545 -4.963 400 HB2 GLU 56 1HB GLU 56 11.448 2.239 -6.811 401 HB3 GLU 56 2HB GLU 56 11.781 1.143 -5.477 402 HG2 GLU 56 1HG GLU 56 9.450 0.723 -5.153 403 HG3 GLU 56 2HG GLU 56 9.016 1.967 -6.323 404 H LEU 57 H LEU 57 9.233 2.613 -3.161 405 HA LEU 57 HA LEU 57 10.985 1.293 -1.248 406 HB2 LEU 57 1HB LEU 57 9.283 3.637 -0.426 407 HB3 LEU 57 2HB LEU 57 10.378 2.704 0.593 408 HG LEU 57 HG LEU 57 11.377 4.302 -1.747 409 HD11 LEU 57 1HD1 LEU 57 11.906 6.089 -0.116 410 HD12 LEU 57 2HD1 LEU 57 10.922 5.244 1.078 411 HD13 LEU 57 3HD1 LEU 57 10.176 5.878 -0.389 412 HD21 LEU 57 3HD2 LEU 57 13.238 4.292 0.284 413 HD22 LEU 57 1HD2 LEU 57 13.244 3.245 -1.135 414 HD23 LEU 57 2HD2 LEU 57 12.530 2.679 0.374 415 H GLN 58 H GLN 58 9.882 0.013 0.281 416 HA GLN 58 HA GLN 58 6.977 -0.159 0.064 417 HB2 GLN 58 1HB GLN 58 8.831 -2.488 -0.457 418 HB3 GLN 58 2HB GLN 58 7.093 -2.629 -0.227 419 HG2 GLN 58 1HG GLN 58 6.605 -1.719 -2.265 420 HG3 GLN 58 2HG GLN 58 8.103 -0.793 -2.333 421 HE21 GLN 58 1HE2 GLN 58 6.761 -4.037 -2.568 422 HE22 GLN 58 2HE2 GLN 58 7.996 -4.672 -3.596 423 H ASN 59 H ASN 59 5.997 -1.421 1.773 424 HA ASN 59 HA ASN 59 7.751 -1.974 4.059 425 HB2 ASN 59 1HB ASN 59 5.408 -0.101 3.982 426 HB3 ASN 59 2HB ASN 59 5.807 -0.949 5.473 427 HD21 ASN 59 1HD2 ASN 59 8.504 -0.960 5.478 428 HD22 ASN 59 2HD2 ASN 59 9.114 0.655 5.545 429 H ILE 60 H ILE 60 6.460 -3.108 5.844 430 HA ILE 60 HA ILE 60 4.340 -4.806 4.732 431 HB ILE 60 HB ILE 60 6.695 -5.884 6.286 432 HG12 ILE 60 1HG1 ILE 60 5.985 -6.327 3.380 433 HG13 ILE 60 2HG1 ILE 60 7.217 -5.198 3.932 434 HG21 ILE 60 1HG2 ILE 60 5.728 -7.997 6.134 435 HG22 ILE 60 2HG2 ILE 60 4.364 -6.947 6.513 436 HG23 ILE 60 3HG2 ILE 60 4.616 -7.502 4.858 437 HD11 ILE 60 3HD1 ILE 60 7.240 -8.169 4.405 438 HD12 ILE 60 1HD1 ILE 60 8.167 -7.317 3.170 439 HD13 ILE 60 2HD1 ILE 60 8.494 -7.024 4.879 440 H THR 61 H THR 61 2.753 -5.357 6.146 441 HA THR 61 HA THR 61 3.116 -5.067 8.999 442 HB THR 61 HB THR 61 2.624 -2.767 8.481 443 HG1 THR 61 1HG THR 61 1.332 -4.110 10.177 444 HG21 THR 61 3HG2 THR 61 1.413 -2.219 6.695 445 HG22 THR 61 1HG2 THR 61 -0.025 -2.865 7.484 446 HG23 THR 61 2HG2 THR 61 0.962 -3.908 6.460 447 H THR 62 H THR 62 1.542 -6.121 10.205 448 HA THR 62 HA THR 62 -0.045 -8.037 8.711 449 HB THR 62 HB THR 62 -0.606 -8.894 11.053 450 HG1 THR 62 1HG THR 62 0.339 -6.676 11.847 451 HG21 THR 62 3HG2 THR 62 2.346 -8.851 10.479 452 HG22 THR 62 1HG2 THR 62 1.211 -9.746 9.468 453 HG23 THR 62 2HG2 THR 62 1.380 -10.151 11.177 454 H ASP 63 H ASP 63 -0.726 -5.093 8.942 455 HA ASP 63 HA ASP 63 -3.496 -5.474 9.866 456 HB2 ASP 63 1HB ASP 63 -1.567 -3.284 10.473 457 HB3 ASP 63 2HB ASP 63 -3.261 -2.850 10.254 458 H THR 64 H THR 64 -5.054 -3.982 8.850 459 HA THR 64 HA THR 64 -4.601 -3.876 6.007 460 HB THR 64 HB THR 64 -6.974 -2.731 6.155 461 HG1 THR 64 1HG THR 64 -6.609 -2.722 8.597 462 HG21 THR 64 3HG2 THR 64 -7.916 -4.800 5.761 463 HG22 THR 64 1HG2 THR 64 -6.937 -5.599 6.991 464 HG23 THR 64 2HG2 THR 64 -6.213 -5.137 5.450 465 H ARG 65 H ARG 65 -3.269 -2.004 8.083 466 HA ARG 65 HA ARG 65 -3.595 0.408 6.459 467 HB2 ARG 65 1HB ARG 65 -3.877 1.856 8.314 468 HB3 ARG 65 2HB ARG 65 -5.030 0.547 8.543 469 HG2 ARG 65 1HG ARG 65 -3.605 -0.489 10.181 470 HG3 ARG 65 2HG ARG 65 -2.339 0.704 9.882 471 HD2 ARG 65 1HD ARG 65 -4.278 2.391 10.487 472 HD3 ARG 65 2HD ARG 65 -4.921 0.985 11.335 473 HE ARG 65 HE ARG 65 -2.157 1.560 11.913 474 HH11 ARG 65 1HH1 ARG 65 -5.473 2.172 12.779 475 HH12 ARG 65 2HH1 ARG 65 -5.098 2.644 14.403 476 HH21 ARG 65 1HH2 ARG 65 -1.651 2.178 14.049 477 HH22 ARG 65 2HH2 ARG 65 -2.923 2.648 15.124 478 H PHE 66 H PHE 66 -1.870 2.081 7.165 479 HA PHE 66 HA PHE 66 0.503 1.185 8.412 480 HB2 PHE 66 1HB PHE 66 0.579 -0.161 6.292 481 HB3 PHE 66 2HB PHE 66 0.671 1.354 5.399 482 HD1 PHE 66 1HD PHE 66 2.430 -0.849 7.763 483 HD2 PHE 66 2HD PHE 66 2.695 2.592 5.271 484 HE1 PHE 66 1HE PHE 66 4.875 -0.845 8.034 485 HE2 PHE 66 2HE PHE 66 5.141 2.600 5.537 486 HZ PHE 66 HZ PHE 66 6.234 0.880 6.920 487 H THR 67 H THR 67 2.256 2.770 8.253 488 HA THR 67 HA THR 67 1.357 5.409 7.312 489 HB THR 67 HB THR 67 2.721 4.880 9.959 490 HG1 THR 67 1HG THR 67 0.062 5.240 9.192 491 HG21 THR 67 3HG2 THR 67 1.610 7.488 9.751 492 HG22 THR 67 1HG2 THR 67 2.625 7.213 8.336 493 HG23 THR 67 2HG2 THR 67 3.300 7.030 9.955 494 H LEU 68 H LEU 68 2.719 5.920 5.723 495 HA LEU 68 HA LEU 68 5.315 4.890 5.408 496 HB2 LEU 68 1HB LEU 68 3.958 7.303 4.230 497 HB3 LEU 68 2HB LEU 68 5.573 6.780 3.755 498 HG LEU 68 HG LEU 68 4.395 5.779 2.100 499 HD11 LEU 68 1HD1 LEU 68 3.976 3.787 4.323 500 HD12 LEU 68 2HD1 LEU 68 5.446 3.973 3.367 501 HD13 LEU 68 3HD1 LEU 68 3.953 3.437 2.595 502 HD21 LEU 68 3HD2 LEU 68 2.240 6.737 3.090 503 HD22 LEU 68 1HD2 LEU 68 2.044 5.163 3.861 504 HD23 LEU 68 2HD2 LEU 68 2.109 5.281 2.102 505 H THR 69 H THR 69 7.233 6.497 5.085 506 HA THR 69 HA THR 69 7.363 8.686 6.942 507 HB THR 69 HB THR 69 9.116 7.790 8.376 508 HG1 THR 69 1HG THR 69 9.622 6.116 6.586 509 HG21 THR 69 3HG2 THR 69 6.771 5.889 8.323 510 HG22 THR 69 1HG2 THR 69 6.729 7.506 9.024 511 HG23 THR 69 2HG2 THR 69 7.792 6.276 9.707 512 H GLY 70 H GLY 70 9.626 9.610 7.025 513 HA2 GLY 70 1HA GLY 70 11.449 10.459 5.919 514 HA3 GLY 70 2HA GLY 70 11.618 8.868 5.192 515 H LEU 71 H LEU 71 8.771 10.873 4.804 516 HA LEU 71 HA LEU 71 9.338 11.002 1.930 517 HB2 LEU 71 1HB LEU 71 6.723 11.756 3.167 518 HB3 LEU 71 2HB LEU 71 7.054 11.146 1.547 519 HG LEU 71 HG LEU 71 7.349 9.442 4.010 520 HD11 LEU 71 1HD1 LEU 71 5.153 9.207 4.189 521 HD12 LEU 71 2HD1 LEU 71 5.013 8.826 2.473 522 HD13 LEU 71 3HD1 LEU 71 4.948 10.504 3.012 523 HD21 LEU 71 3HD2 LEU 71 8.372 8.223 2.405 524 HD22 LEU 71 1HD2 LEU 71 7.546 9.056 1.089 525 HD23 LEU 71 2HD2 LEU 71 6.713 7.790 1.992 526 H LYS 72 H LYS 72 8.830 12.969 0.761 527 HA LYS 72 HA LYS 72 9.665 15.321 2.261 528 HB2 LYS 72 1HB LYS 72 10.854 15.019 0.230 529 HB3 LYS 72 2HB LYS 72 9.377 14.728 -0.680 530 HG2 LYS 72 1HG LYS 72 8.775 17.154 -0.001 531 HG3 LYS 72 2HG LYS 72 10.504 17.307 0.321 532 HD2 LYS 72 1HD LYS 72 9.611 16.144 -2.277 533 HD3 LYS 72 2HD LYS 72 9.513 17.891 -2.043 534 HE2 LYS 72 1HE LYS 72 12.044 16.523 -1.300 535 HE3 LYS 72 2HE LYS 72 11.684 16.714 -3.015 536 HZ1 LYS 72 3HZ LYS 72 12.169 18.785 -0.982 537 HZ2 LYS 72 1HZ LYS 72 11.225 19.152 -2.338 538 HZ3 LYS 72 2HZ LYS 72 12.823 18.635 -2.535 539 HA PRO 73 HA PRO 73 5.614 17.020 2.592 540 HB2 PRO 73 1HB PRO 73 6.281 19.632 2.905 541 HB3 PRO 73 2HB PRO 73 6.499 18.426 4.178 542 HG2 PRO 73 1HG PRO 73 8.509 19.539 2.258 543 HG3 PRO 73 2HG PRO 73 8.677 19.221 3.995 544 HD2 PRO 73 1HD PRO 73 9.649 17.543 2.106 545 HD3 PRO 73 2HD PRO 73 9.048 16.969 3.675 546 H ASP 74 H ASP 74 4.075 18.077 1.369 547 HA ASP 74 HA ASP 74 3.089 18.803 -0.552 548 HB2 ASP 74 1HB ASP 74 4.122 20.912 0.192 549 HB3 ASP 74 2HB ASP 74 5.581 20.511 -0.709 550 H THR 75 H THR 75 4.201 16.413 -0.975 551 HA THR 75 HA THR 75 5.049 16.598 -3.759 552 HB THR 75 HB THR 75 6.674 15.302 -1.589 553 HG1 THR 75 1HG THR 75 7.427 17.296 -2.203 554 HG21 THR 75 3HG2 THR 75 7.956 14.399 -3.727 555 HG22 THR 75 1HG2 THR 75 6.330 14.417 -4.409 556 HG23 THR 75 2HG2 THR 75 6.669 13.469 -2.960 557 H THR 76 H THR 76 4.036 15.137 -4.981 558 HA THR 76 HA THR 76 2.105 13.389 -3.887 559 HB THR 76 HB THR 76 3.277 13.375 -6.676 560 HG1 THR 76 1HG THR 76 2.294 15.281 -6.618 561 HG21 THR 76 3HG2 THR 76 2.036 11.541 -6.960 562 HG22 THR 76 1HG2 THR 76 0.615 12.562 -6.748 563 HG23 THR 76 2HG2 THR 76 1.303 11.710 -5.365 564 H TYR 77 H TYR 77 2.212 11.322 -3.259 565 HA TYR 77 HA TYR 77 4.640 9.790 -3.918 566 HB2 TYR 77 1HB TYR 77 3.347 10.284 -1.277 567 HB3 TYR 77 2HB TYR 77 4.059 8.699 -1.563 568 HD1 TYR 77 1HD TYR 77 6.471 8.455 -1.876 569 HD2 TYR 77 2HD TYR 77 4.732 12.252 -1.063 570 HE1 TYR 77 1HE TYR 77 8.694 9.347 -1.318 571 HE2 TYR 77 2HE TYR 77 6.950 13.155 -0.503 572 HH TYR 77 HH TYR 77 9.775 11.089 -0.293 573 H ASP 78 H ASP 78 3.970 8.297 -5.323 574 HA ASP 78 HA ASP 78 1.350 7.243 -5.433 575 HB2 ASP 78 1HB ASP 78 2.674 7.229 -7.428 576 HB3 ASP 78 2HB ASP 78 3.954 6.307 -6.643 577 H ILE 79 H ILE 79 0.711 6.361 -3.499 578 HA ILE 79 HA ILE 79 2.286 4.100 -2.469 579 HB ILE 79 HB ILE 79 0.046 5.542 -1.053 580 HG12 ILE 79 1HG1 ILE 79 2.902 5.919 -0.284 581 HG13 ILE 79 2HG1 ILE 79 2.307 6.799 -1.687 582 HG21 ILE 79 1HG2 ILE 79 2.211 3.991 0.287 583 HG22 ILE 79 2HG2 ILE 79 0.557 4.301 0.812 584 HG23 ILE 79 3HG2 ILE 79 0.870 3.128 -0.466 585 HD11 ILE 79 3HD1 ILE 79 0.665 6.921 0.766 586 HD12 ILE 79 1HD1 ILE 79 2.208 7.775 0.780 587 HD13 ILE 79 2HD1 ILE 79 0.998 8.159 -0.445 588 H LYS 80 H LYS 80 1.474 2.083 -2.447 589 HA LYS 80 HA LYS 80 -1.371 1.696 -3.054 590 HB2 LYS 80 1HB LYS 80 -0.491 -0.329 -4.473 591 HB3 LYS 80 2HB LYS 80 -0.579 1.280 -5.179 592 HG2 LYS 80 1HG LYS 80 1.905 1.395 -4.230 593 HG3 LYS 80 2HG LYS 80 1.779 -0.352 -4.452 594 HD2 LYS 80 1HD LYS 80 1.068 1.629 -6.605 595 HD3 LYS 80 2HD LYS 80 2.691 0.959 -6.415 596 HE2 LYS 80 1HE LYS 80 1.597 -1.329 -6.530 597 HE3 LYS 80 2HE LYS 80 0.137 -0.495 -7.061 598 HZ1 LYS 80 3HZ LYS 80 2.763 -0.597 -8.430 599 HZ2 LYS 80 1HZ LYS 80 1.545 0.493 -8.866 600 HZ3 LYS 80 2HZ LYS 80 1.276 -1.172 -8.994 601 H VAL 81 H VAL 81 -1.629 -0.943 -3.041 602 HA VAL 81 HA VAL 81 -0.155 -2.115 -0.833 603 HB VAL 81 HB VAL 81 -2.272 -0.740 -0.026 604 HG11 VAL 81 1HG1 VAL 81 -4.293 -1.955 0.041 605 HG12 VAL 81 2HG1 VAL 81 -3.732 -2.057 -1.629 606 HG13 VAL 81 3HG1 VAL 81 -3.518 -3.428 -0.539 607 HG21 VAL 81 3HG2 VAL 81 -2.067 -1.855 1.949 608 HG22 VAL 81 1HG2 VAL 81 -2.112 -3.443 1.184 609 HG23 VAL 81 2HG2 VAL 81 -0.633 -2.482 1.136 610 H ARG 82 H ARG 82 -0.766 -4.397 -0.470 611 HA ARG 82 HA ARG 82 -2.338 -5.706 -2.506 612 HB2 ARG 82 1HB ARG 82 -0.587 -7.020 -3.469 613 HB3 ARG 82 2HB ARG 82 -0.103 -5.333 -3.580 614 HG2 ARG 82 1HG ARG 82 1.552 -5.562 -1.991 615 HG3 ARG 82 2HG ARG 82 0.800 -6.984 -1.264 616 HD2 ARG 82 1HD ARG 82 2.491 -8.010 -2.390 617 HD3 ARG 82 2HD ARG 82 1.275 -7.996 -3.668 618 HE ARG 82 HE ARG 82 2.567 -5.684 -4.095 619 HH11 ARG 82 1HH1 ARG 82 3.709 -8.932 -3.578 620 HH12 ARG 82 2HH1 ARG 82 5.134 -8.723 -4.542 621 HH21 ARG 82 1HH2 ARG 82 4.439 -5.397 -5.365 622 HH22 ARG 82 2HH2 ARG 82 5.549 -6.712 -5.557 623 H ALA 83 H ALA 83 -3.010 -7.733 -1.900 624 HA ALA 83 HA ALA 83 -2.550 -8.432 0.877 625 HB1 ALA 83 3HB ALA 83 -4.230 -10.180 -0.804 626 HB2 ALA 83 1HB ALA 83 -4.528 -9.518 0.804 627 HB3 ALA 83 2HB ALA 83 -4.775 -8.512 -0.624 628 H TRP 84 H TRP 84 -1.620 -10.308 1.622 629 HA TRP 84 HA TRP 84 -0.212 -11.934 -0.394 630 HB2 TRP 84 1HB TRP 84 0.677 -11.073 2.361 631 HB3 TRP 84 2HB TRP 84 1.483 -12.342 1.444 632 HD1 TRP 84 HD TRP 84 0.525 -8.613 0.890 633 HE1 TRP 84 1HE TRP 84 2.435 -7.500 -0.427 634 HE3 TRP 84 3HE TRP 84 3.535 -12.691 0.221 635 HZ2 TRP 84 2HZ TRP 84 4.892 -8.251 -1.596 636 HZ3 TRP 84 3HZ TRP 84 5.647 -12.409 -1.008 637 HH2 TRP 84 HH TRP 84 6.310 -10.234 -1.897 638 H THR 85 H THR 85 -0.126 -14.156 -0.103 639 HA THR 85 HA THR 85 -1.889 -15.228 2.003 640 HB THR 85 HB THR 85 -2.381 -17.109 0.398 641 HG1 THR 85 1HG THR 85 -2.040 -16.385 -1.882 642 HG21 THR 85 3HG2 THR 85 -4.264 -15.914 0.268 643 HG22 THR 85 1HG2 THR 85 -3.602 -15.179 -1.191 644 HG23 THR 85 2HG2 THR 85 -3.382 -14.390 0.371 645 H SER 86 H SER 86 -1.483 -17.686 2.272 646 HA SER 86 HA SER 86 1.033 -18.072 3.359 647 HB2 SER 86 1HB SER 86 0.448 -20.399 3.584 648 HB3 SER 86 2HB SER 86 -1.016 -19.448 3.828 649 HG SER 86 HG SER 86 -1.077 -21.367 2.349 650 H LYS 87 H LYS 87 -0.001 -18.346 0.081 651 HA LYS 87 HA LYS 87 2.241 -19.950 -0.774 652 HB2 LYS 87 1HB LYS 87 -0.004 -18.544 -2.197 653 HB3 LYS 87 2HB LYS 87 1.345 -19.231 -3.091 654 HG2 LYS 87 1HG LYS 87 -0.053 -21.006 -3.168 655 HG3 LYS 87 2HG LYS 87 0.727 -21.359 -1.624 656 HD2 LYS 87 1HD LYS 87 -1.436 -21.540 -0.952 657 HD3 LYS 87 2HD LYS 87 -1.248 -19.798 -0.739 658 HE2 LYS 87 1HE LYS 87 -2.285 -19.367 -2.857 659 HE3 LYS 87 2HE LYS 87 -2.306 -21.086 -3.251 660 HZ1 LYS 87 3HZ LYS 87 -4.414 -19.883 -2.299 661 HZ2 LYS 87 1HZ LYS 87 -3.673 -20.211 -0.814 662 HZ3 LYS 87 2HZ LYS 87 -4.053 -21.478 -1.868 663 H GLY 88 H GLY 88 1.168 -16.622 -1.514 664 HA2 GLY 88 1HA GLY 88 3.767 -15.525 -1.138 665 HA3 GLY 88 2HA GLY 88 3.440 -15.769 -2.847 666 H SER 89 H SER 89 2.788 -13.977 -3.810 667 HA SER 89 HA SER 89 1.002 -12.161 -2.327 668 HB2 SER 89 1HB SER 89 2.081 -10.260 -3.297 669 HB3 SER 89 2HB SER 89 3.359 -11.294 -2.660 670 HG SER 89 HG SER 89 4.033 -10.817 -4.668 671 H GLY 90 H GLY 90 -0.031 -10.544 -4.007 672 HA2 GLY 90 1HA GLY 90 -0.865 -12.070 -6.390 673 HA3 GLY 90 2HA GLY 90 -2.063 -11.342 -5.330 674 HA PRO 91 HA PRO 91 -1.568 -8.183 -8.530 675 HB2 PRO 91 1HB PRO 91 -3.962 -7.003 -8.031 676 HB3 PRO 91 2HB PRO 91 -3.795 -8.457 -9.023 677 HG2 PRO 91 1HG PRO 91 -4.597 -8.206 -6.150 678 HG3 PRO 91 2HG PRO 91 -5.293 -9.229 -7.420 679 HD2 PRO 91 1HD PRO 91 -3.568 -10.182 -5.563 680 HD3 PRO 91 2HD PRO 91 -3.639 -10.822 -7.218 681 H LEU 92 H LEU 92 -1.803 -5.759 -8.418 682 HA LEU 92 HA LEU 92 -1.079 -4.798 -5.728 683 HB2 LEU 92 1HB LEU 92 0.073 -4.290 -8.406 684 HB3 LEU 92 2HB LEU 92 -0.009 -2.918 -7.303 685 HG LEU 92 HG LEU 92 1.272 -5.506 -6.483 686 HD11 LEU 92 1HD1 LEU 92 2.535 -3.223 -7.989 687 HD12 LEU 92 2HD1 LEU 92 2.410 -4.905 -8.504 688 HD13 LEU 92 3HD1 LEU 92 3.436 -4.476 -7.135 689 HD21 LEU 92 3HD2 LEU 92 2.604 -3.411 -5.331 690 HD22 LEU 92 1HD2 LEU 92 1.314 -4.344 -4.573 691 HD23 LEU 92 2HD2 LEU 92 0.942 -2.821 -5.381 692 H SER 93 H SER 93 -2.447 -3.400 -4.856 693 HA SER 93 HA SER 93 -4.762 -2.476 -6.110 694 HB2 SER 93 1HB SER 93 -5.244 -1.377 -4.119 695 HB3 SER 93 2HB SER 93 -4.107 -2.610 -3.573 696 HG SER 93 HG SER 93 -3.464 0.083 -4.210 697 HA PRO 94 HA PRO 94 -3.595 1.067 -8.420 698 HB2 PRO 94 1HB PRO 94 -5.768 2.660 -8.089 699 HB3 PRO 94 2HB PRO 94 -5.787 1.205 -9.093 700 HG2 PRO 94 1HG PRO 94 -6.761 1.583 -6.288 701 HG3 PRO 94 2HG PRO 94 -7.525 0.710 -7.629 702 HD2 PRO 94 1HD PRO 94 -6.157 -0.550 -5.661 703 HD3 PRO 94 2HD PRO 94 -6.208 -1.158 -7.328 704 H SER 95 H SER 95 -2.015 2.378 -7.752 705 HA SER 95 HA SER 95 -1.614 3.419 -5.239 706 HB2 SER 95 1HB SER 95 -0.395 5.321 -6.698 707 HB3 SER 95 2HB SER 95 0.272 3.700 -6.499 708 HG SER 95 HG SER 95 -0.021 3.367 -8.547 709 H ILE 96 H ILE 96 -1.919 5.477 -4.297 710 HA ILE 96 HA ILE 96 -4.298 6.873 -5.311 711 HB ILE 96 HB ILE 96 -4.247 7.887 -2.928 712 HG12 ILE 96 1HG1 ILE 96 -2.600 5.387 -2.485 713 HG13 ILE 96 2HG1 ILE 96 -1.985 7.033 -2.379 714 HG21 ILE 96 1HG2 ILE 96 -4.931 4.986 -3.383 715 HG22 ILE 96 2HG2 ILE 96 -5.526 5.980 -2.055 716 HG23 ILE 96 3HG2 ILE 96 -5.970 6.371 -3.716 717 HD11 ILE 96 3HD1 ILE 96 -2.402 6.769 -0.196 718 HD12 ILE 96 1HD1 ILE 96 -4.057 7.167 -0.657 719 HD13 ILE 96 2HD1 ILE 96 -3.575 5.481 -0.467 720 H GLN 97 H GLN 97 -0.938 7.252 -4.578 721 HA GLN 97 HA GLN 97 0.525 8.970 -4.861 722 HB2 GLN 97 1HB GLN 97 -1.676 9.610 -6.755 723 HB3 GLN 97 2HB GLN 97 -0.510 10.882 -6.415 724 HG2 GLN 97 1HG GLN 97 1.188 9.806 -7.466 725 HG3 GLN 97 2HG GLN 97 0.555 8.204 -7.089 726 HE21 GLN 97 1HE2 GLN 97 0.236 7.189 -8.936 727 HE22 GLN 97 2HE2 GLN 97 -0.570 7.833 -10.322 728 H SER 98 H SER 98 -0.766 9.054 -2.492 729 HA SER 98 HA SER 98 -2.072 11.528 -1.970 730 HB2 SER 98 1HB SER 98 -2.014 9.256 -0.608 731 HB3 SER 98 2HB SER 98 -0.660 10.041 0.205 732 HG SER 98 HG SER 98 -2.152 11.856 0.511 733 H ARG 99 H ARG 99 -1.073 13.418 -2.195 734 HA ARG 99 HA ARG 99 1.772 13.693 -1.852 735 HB2 ARG 99 1HB ARG 99 0.804 15.006 -3.581 736 HB3 ARG 99 2HB ARG 99 -0.435 15.638 -2.506 737 HG2 ARG 99 1HG ARG 99 1.242 16.901 -1.283 738 HG3 ARG 99 2HG ARG 99 2.510 16.236 -2.315 739 HD2 ARG 99 1HD ARG 99 2.157 18.215 -3.390 740 HD3 ARG 99 2HD ARG 99 0.963 17.221 -4.223 741 HE ARG 99 HE ARG 99 -0.008 18.618 -1.883 742 HH11 ARG 99 1HH1 ARG 99 0.422 18.666 -5.338 743 HH12 ARG 99 2HH1 ARG 99 -0.825 19.838 -5.608 744 HH21 ARG 99 1HH2 ARG 99 -1.652 20.162 -2.226 745 HH22 ARG 99 2HH2 ARG 99 -2.003 20.689 -3.836 746 H THR 100 H THR 100 2.645 13.795 0.105 747 HA THR 100 HA THR 100 1.509 14.082 2.532 748 HB THR 100 HB THR 100 3.643 14.997 3.386 749 HG1 THR 100 1HG THR 100 4.095 15.387 0.620 750 HG21 THR 100 3HG2 THR 100 4.090 12.801 3.325 751 HG22 THR 100 1HG2 THR 100 5.036 13.161 1.882 752 HG23 THR 100 2HG2 THR 100 3.367 12.610 1.728 753 H MET 101 H MET 101 1.285 15.817 4.062 754 HA MET 101 HA MET 101 -0.041 18.074 2.999 755 HB2 MET 101 1HB MET 101 -0.573 18.602 5.170 756 HB3 MET 101 2HB MET 101 -0.195 16.894 5.353 757 HG2 MET 101 1HG MET 101 1.982 17.403 6.205 758 HG3 MET 101 2HG MET 101 1.767 19.117 5.854 759 HE1 MET 101 3HE MET 101 -0.149 16.251 7.247 760 HE2 MET 101 1HE MET 101 -0.446 16.629 8.944 761 HE3 MET 101 2HE MET 101 -1.507 17.283 7.697 762 HA PRO 102 HA PRO 102 3.339 20.790 2.201 763 HB2 PRO 102 1HB PRO 102 1.969 23.134 2.181 764 HB3 PRO 102 2HB PRO 102 1.881 21.958 0.864 765 HG2 PRO 102 1HG PRO 102 -0.028 22.418 3.124 766 HG3 PRO 102 2HG PRO 102 -0.374 22.126 1.410 767 HD2 PRO 102 1HD PRO 102 -0.566 20.183 3.286 768 HD3 PRO 102 2HD PRO 102 -0.086 19.848 1.610 769 H VAL 103 H VAL 103 4.603 20.677 4.054 770 HA VAL 103 HA VAL 103 4.089 21.464 6.607 771 HB VAL 103 HB VAL 103 6.199 20.448 6.045 772 HG11 VAL 103 1HG1 VAL 103 6.283 22.488 4.051 773 HG12 VAL 103 2HG1 VAL 103 7.743 22.583 5.038 774 HG13 VAL 103 3HG1 VAL 103 7.318 21.072 4.234 775 HG21 VAL 103 3HG2 VAL 103 5.884 22.467 7.856 776 HG22 VAL 103 1HG2 VAL 103 7.301 21.424 7.736 777 HG23 VAL 103 2HG2 VAL 103 7.301 23.004 6.953 Start of MODEL 15 1 H1 GLY 1 H GLY 1 8.377 -6.804 -7.563 2 HA2 GLY 1 1HA GLY 1 9.432 -8.828 -6.964 3 HA3 GLY 1 2HA GLY 1 7.998 -9.280 -6.055 4 H SER 2 H SER 2 9.287 -11.056 -7.757 5 HA SER 2 HA SER 2 8.304 -11.178 -10.368 6 HB2 SER 2 1HB SER 2 8.803 -13.620 -10.222 7 HB3 SER 2 2HB SER 2 10.130 -12.605 -9.656 8 HG SER 2 HG SER 2 8.282 -13.400 -7.745 9 H SER 3 H SER 3 6.545 -12.195 -11.307 10 HA SER 3 HA SER 3 4.306 -12.727 -9.474 11 HB2 SER 3 1HB SER 3 3.882 -10.877 -11.001 12 HB3 SER 3 2HB SER 3 4.287 -11.893 -12.384 13 HG SER 3 HG SER 3 2.375 -13.026 -10.827 14 H GLY 4 H GLY 4 3.624 -14.751 -9.270 15 HA2 GLY 4 1HA GLY 4 4.327 -16.672 -11.403 16 HA3 GLY 4 2HA GLY 4 4.249 -17.088 -9.697 17 H SER 5 H SER 5 2.711 -18.664 -9.815 18 HA SER 5 HA SER 5 0.133 -17.978 -11.036 19 HB2 SER 5 1HB SER 5 1.380 -20.605 -10.229 20 HB3 SER 5 2HB SER 5 -0.328 -20.466 -10.647 21 HG SER 5 HG SER 5 1.476 -20.930 -12.335 22 H SER 6 H SER 6 1.570 -19.119 -8.014 23 HA SER 6 HA SER 6 -0.883 -19.281 -6.586 24 HB2 SER 6 1HB SER 6 2.015 -19.265 -5.799 25 HB3 SER 6 2HB SER 6 0.761 -19.151 -4.564 26 HG SER 6 HG SER 6 0.680 -21.165 -6.535 27 H GLY 7 H GLY 7 -1.418 -17.932 -4.687 28 HA2 GLY 7 1HA GLY 7 -1.057 -15.794 -3.540 29 HA3 GLY 7 2HA GLY 7 -0.631 -15.114 -5.103 30 HA PRO 8 HA PRO 8 -5.256 -14.657 -4.041 31 HB2 PRO 8 1HB PRO 8 -5.252 -12.038 -3.326 32 HB3 PRO 8 2HB PRO 8 -5.034 -13.351 -2.163 33 HG2 PRO 8 1HG PRO 8 -2.974 -11.608 -3.459 34 HG3 PRO 8 2HG PRO 8 -3.091 -12.136 -1.770 35 HD2 PRO 8 1HD PRO 8 -1.418 -13.305 -3.550 36 HD3 PRO 8 2HD PRO 8 -2.180 -14.205 -2.223 37 H SER 9 H SER 9 -6.727 -13.695 -5.438 38 HA SER 9 HA SER 9 -5.547 -12.173 -7.670 39 HB2 SER 9 1HB SER 9 -6.248 -14.404 -8.385 40 HB3 SER 9 2HB SER 9 -7.862 -14.125 -7.732 41 HG SER 9 HG SER 9 -7.650 -13.757 -10.032 42 H GLY 10 H GLY 10 -6.423 -10.820 -5.430 43 HA2 GLY 10 1HA GLY 10 -8.389 -9.085 -6.586 44 HA3 GLY 10 2HA GLY 10 -9.036 -10.012 -5.240 45 H PHE 11 H PHE 11 -7.460 -7.203 -6.123 46 HA PHE 11 HA PHE 11 -5.885 -6.784 -3.778 47 HB2 PHE 11 1HB PHE 11 -5.909 -4.369 -4.589 48 HB3 PHE 11 2HB PHE 11 -5.233 -5.558 -5.698 49 HD1 PHE 11 2HD PHE 11 -6.561 -6.310 -7.653 50 HD2 PHE 11 1HD PHE 11 -7.828 -3.110 -5.148 51 HE1 PHE 11 2HE PHE 11 -8.120 -5.561 -9.403 52 HE2 PHE 11 1HE PHE 11 -9.390 -2.357 -6.894 53 HZ PHE 11 HZ PHE 11 -9.536 -3.582 -9.026 54 HA PRO 12 HA PRO 12 -8.867 -5.350 -0.897 55 HB2 PRO 12 1HB PRO 12 -7.471 -3.430 0.421 56 HB3 PRO 12 2HB PRO 12 -7.148 -5.157 0.615 57 HG2 PRO 12 1HG PRO 12 -5.717 -3.140 -1.072 58 HG3 PRO 12 2HG PRO 12 -5.044 -4.423 -0.049 59 HD2 PRO 12 1HD PRO 12 -5.269 -4.669 -2.736 60 HD3 PRO 12 2HD PRO 12 -5.413 -6.054 -1.635 61 H GLN 13 H GLN 13 -9.894 -3.290 -0.025 62 HA GLN 13 HA GLN 13 -10.006 -1.219 -2.114 63 HB2 GLN 13 1HB GLN 13 -12.460 -1.871 -0.551 64 HB3 GLN 13 2HB GLN 13 -12.308 -1.225 -2.179 65 HG2 GLN 13 1HG GLN 13 -11.252 -3.647 -2.579 66 HG3 GLN 13 2HG GLN 13 -12.337 -4.021 -1.241 67 HE21 GLN 13 1HE2 GLN 13 -12.068 -3.504 -4.562 68 HE22 GLN 13 2HE2 GLN 13 -13.751 -3.508 -4.952 69 H ASN 14 H ASN 14 -11.465 0.687 -1.123 70 HA ASN 14 HA ASN 14 -11.510 2.447 0.316 71 HB2 ASN 14 1HB ASN 14 -11.382 0.082 2.118 72 HB3 ASN 14 2HB ASN 14 -11.072 1.659 2.836 73 HD21 ASN 14 1HD2 ASN 14 -13.328 0.315 0.444 74 HD22 ASN 14 2HD2 ASN 14 -14.747 1.007 1.146 75 H LEU 15 H LEU 15 -8.992 1.613 -0.934 76 HA LEU 15 HA LEU 15 -6.885 2.056 0.956 77 HB2 LEU 15 1HB LEU 15 -6.718 0.738 -1.189 78 HB3 LEU 15 2HB LEU 15 -6.721 2.281 -2.041 79 HG LEU 15 HG LEU 15 -4.633 2.904 -0.951 80 HD11 LEU 15 1HD1 LEU 15 -4.601 1.930 1.139 81 HD12 LEU 15 2HD1 LEU 15 -3.448 0.931 0.255 82 HD13 LEU 15 3HD1 LEU 15 -5.090 0.350 0.528 83 HD21 LEU 15 3HD2 LEU 15 -4.888 0.444 -2.573 84 HD22 LEU 15 1HD2 LEU 15 -3.319 0.746 -1.828 85 HD23 LEU 15 2HD2 LEU 15 -4.025 1.945 -2.911 86 H HIS 16 H HIS 16 -6.538 3.969 1.861 87 HA HIS 16 HA HIS 16 -6.009 6.286 0.303 88 HB2 HIS 16 1HB HIS 16 -7.837 7.684 1.413 89 HB3 HIS 16 2HB HIS 16 -8.344 6.605 0.117 90 HD1 HIS 16 1HD HIS 16 -10.214 5.058 0.651 91 HD2 HIS 16 2HD HIS 16 -8.401 6.559 4.074 92 HE1 HIS 16 1HE HIS 16 -11.616 4.235 2.570 93 HE2 HIS 16 2HE HIS 16 -10.548 5.227 4.625 94 H VAL 17 H VAL 17 -6.080 8.299 2.007 95 HA VAL 17 HA VAL 17 -4.530 7.337 4.319 96 HB VAL 17 HB VAL 17 -4.408 10.027 2.948 97 HG11 VAL 17 1HG1 VAL 17 -2.174 9.833 4.489 98 HG12 VAL 17 2HG1 VAL 17 -3.647 10.686 4.954 99 HG13 VAL 17 3HG1 VAL 17 -3.373 9.033 5.504 100 HG21 VAL 17 3HG2 VAL 17 -2.193 8.014 3.039 101 HG22 VAL 17 1HG2 VAL 17 -3.443 7.921 1.799 102 HG23 VAL 17 2HG2 VAL 17 -2.431 9.360 1.925 103 H THR 18 H THR 18 -5.215 7.772 6.320 104 HA THR 18 HA THR 18 -7.699 9.261 6.636 105 HB THR 18 HB THR 18 -7.493 7.059 7.723 106 HG1 THR 18 1HG THR 18 -8.776 7.887 9.178 107 HG21 THR 18 3HG2 THR 18 -5.916 6.535 9.330 108 HG22 THR 18 1HG2 THR 18 -5.595 8.224 9.718 109 HG23 THR 18 2HG2 THR 18 -4.968 7.528 8.224 110 H GLY 19 H GLY 19 -4.359 9.770 6.975 111 HA2 GLY 19 1HA GLY 19 -4.655 12.454 7.773 112 HA3 GLY 19 2HA GLY 19 -4.231 11.493 9.181 113 H LEU 20 H LEU 20 -3.180 12.432 5.947 114 HA LEU 20 HA LEU 20 -0.617 11.253 6.078 115 HB2 LEU 20 1HB LEU 20 -0.193 12.276 4.075 116 HB3 LEU 20 2HB LEU 20 -1.955 12.245 4.074 117 HG LEU 20 HG LEU 20 -0.248 14.632 4.781 118 HD11 LEU 20 1HD1 LEU 20 -0.446 13.712 2.321 119 HD12 LEU 20 2HD1 LEU 20 -0.538 15.438 2.665 120 HD13 LEU 20 3HD1 LEU 20 -2.015 14.514 2.393 121 HD21 LEU 20 3HD2 LEU 20 -2.601 14.296 5.825 122 HD22 LEU 20 1HD2 LEU 20 -3.182 14.688 4.206 123 HD23 LEU 20 2HD2 LEU 20 -2.190 15.847 5.092 124 H THR 21 H THR 21 1.383 12.799 5.791 125 HA THR 21 HA THR 21 1.309 15.063 7.620 126 HB THR 21 HB THR 21 3.491 13.092 8.129 127 HG1 THR 21 1HG THR 21 0.795 12.837 8.969 128 HG21 THR 21 3HG2 THR 21 3.138 15.492 9.120 129 HG22 THR 21 1HG2 THR 21 3.695 14.179 10.155 130 HG23 THR 21 2HG2 THR 21 2.001 14.667 10.185 131 H THR 22 H THR 22 3.118 16.455 7.437 132 HA THR 22 HA THR 22 4.062 17.029 4.968 133 HB THR 22 HB THR 22 5.999 18.169 6.038 134 HG1 THR 22 1HG THR 22 5.931 18.061 8.433 135 HG21 THR 22 3HG2 THR 22 3.926 19.369 5.933 136 HG22 THR 22 1HG2 THR 22 4.632 19.648 7.525 137 HG23 THR 22 2HG2 THR 22 3.298 18.509 7.339 138 H SER 23 H SER 23 5.738 14.970 7.340 139 HA SER 23 HA SER 23 7.554 14.079 5.212 140 HB2 SER 23 1HB SER 23 7.737 14.108 8.209 141 HB3 SER 23 2HB SER 23 8.737 12.996 7.274 142 HG SER 23 HG SER 23 8.633 15.804 6.874 143 H THR 24 H THR 24 5.419 12.846 7.758 144 HA THR 24 HA THR 24 5.610 10.153 6.627 145 HB THR 24 HB THR 24 4.585 9.337 8.615 146 HG1 THR 24 1HG THR 24 4.241 11.850 9.783 147 HG21 THR 24 3HG2 THR 24 6.535 11.549 9.254 148 HG22 THR 24 1HG2 THR 24 6.906 9.853 8.949 149 HG23 THR 24 2HG2 THR 24 6.030 10.315 10.408 150 H THR 25 H THR 25 3.572 8.896 6.431 151 HA THR 25 HA THR 25 1.195 10.497 5.862 152 HB THR 25 HB THR 25 2.721 8.917 3.826 153 HG1 THR 25 1HG THR 25 2.911 11.128 3.662 154 HG21 THR 25 3HG2 THR 25 0.540 7.841 3.871 155 HG22 THR 25 1HG2 THR 25 0.701 8.824 2.416 156 HG23 THR 25 2HG2 THR 25 -0.258 9.410 3.774 157 H GLU 26 H GLU 26 -0.439 9.558 6.882 158 HA GLU 26 HA GLU 26 -0.288 6.833 7.774 159 HB2 GLU 26 1HB GLU 26 -2.323 9.027 8.046 160 HB3 GLU 26 2HB GLU 26 -2.703 7.382 8.537 161 HG2 GLU 26 1HG GLU 26 -0.487 7.574 9.893 162 HG3 GLU 26 2HG GLU 26 -0.756 9.307 9.711 163 H LEU 27 H LEU 27 -2.048 5.270 7.393 164 HA LEU 27 HA LEU 27 -3.468 5.583 4.864 165 HB2 LEU 27 1HB LEU 27 -1.713 3.200 5.431 166 HB3 LEU 27 2HB LEU 27 -2.686 3.474 3.988 167 HG LEU 27 HG LEU 27 -0.327 5.168 4.801 168 HD11 LEU 27 1HD1 LEU 27 -0.133 2.606 3.983 169 HD12 LEU 27 2HD1 LEU 27 1.063 3.850 3.623 170 HD13 LEU 27 3HD1 LEU 27 -0.166 3.437 2.428 171 HD21 LEU 27 3HD2 LEU 27 -0.598 6.328 2.834 172 HD22 LEU 27 1HD2 LEU 27 -2.276 6.035 3.291 173 HD23 LEU 27 2HD2 LEU 27 -1.508 5.027 2.064 174 H ALA 28 H ALA 28 -5.122 3.934 4.535 175 HA ALA 28 HA ALA 28 -5.800 2.124 6.641 176 HB1 ALA 28 3HB ALA 28 -8.120 3.458 6.837 177 HB2 ALA 28 1HB ALA 28 -6.765 3.699 7.940 178 HB3 ALA 28 2HB ALA 28 -7.016 4.812 6.595 179 H TRP 29 H TRP 29 -6.307 0.475 5.342 180 HA TRP 29 HA TRP 29 -8.381 0.927 3.302 181 HB2 TRP 29 1HB TRP 29 -7.276 -0.698 1.839 182 HB3 TRP 29 2HB TRP 29 -6.200 0.649 2.202 183 HD1 TRP 29 HD TRP 29 -6.578 -3.098 2.699 184 HE1 TRP 29 1HE TRP 29 -4.395 -4.038 3.686 185 HE3 TRP 29 3HE TRP 29 -4.192 1.304 3.729 186 HZ2 TRP 29 2HZ TRP 29 -1.981 -3.044 4.760 187 HZ3 TRP 29 3HZ TRP 29 -1.949 1.222 4.736 188 HH2 TRP 29 HH TRP 29 -0.868 -0.908 5.241 189 H ASP 30 H ASP 30 -9.127 -1.424 2.522 190 HA ASP 30 HA ASP 30 -9.591 -3.040 4.941 191 HB2 ASP 30 1HB ASP 30 -11.534 -1.887 3.013 192 HB3 ASP 30 2HB ASP 30 -11.851 -3.526 3.574 193 HA PRO 31 HA PRO 31 -8.447 -6.613 2.670 194 HB2 PRO 31 1HB PRO 31 -10.238 -8.469 3.519 195 HB3 PRO 31 2HB PRO 31 -8.934 -7.854 4.542 196 HG2 PRO 31 1HG PRO 31 -11.821 -7.065 4.474 197 HG3 PRO 31 2HG PRO 31 -10.770 -7.344 5.875 198 HD2 PRO 31 1HD PRO 31 -11.357 -4.862 4.965 199 HD3 PRO 31 2HD PRO 31 -9.801 -5.259 5.721 200 HA PRO 32 HA PRO 32 -10.801 -7.162 -1.003 201 HB2 PRO 32 1HB PRO 32 -10.302 -9.756 -1.628 202 HB3 PRO 32 2HB PRO 32 -9.090 -8.479 -1.788 203 HG2 PRO 32 1HG PRO 32 -9.452 -10.483 0.406 204 HG3 PRO 32 2HG PRO 32 -7.957 -9.939 -0.377 205 HD2 PRO 32 1HD PRO 32 -8.761 -9.007 2.035 206 HD3 PRO 32 2HD PRO 32 -7.851 -8.011 0.881 207 H VAL 33 H VAL 33 -12.927 -7.347 -1.282 208 HA VAL 33 HA VAL 33 -14.818 -8.251 0.365 209 HB VAL 33 HB VAL 33 -16.094 -9.014 -1.818 210 HG11 VAL 33 1HG1 VAL 33 -15.285 -6.129 -1.591 211 HG12 VAL 33 2HG1 VAL 33 -16.836 -6.801 -2.100 212 HG13 VAL 33 3HG1 VAL 33 -16.338 -6.907 -0.411 213 HG21 VAL 33 3HG2 VAL 33 -14.004 -7.272 -3.075 214 HG22 VAL 33 1HG2 VAL 33 -13.826 -9.026 -3.038 215 HG23 VAL 33 2HG2 VAL 33 -15.210 -8.297 -3.852 216 H LEU 34 H LEU 34 -15.708 -10.120 1.072 217 HA LEU 34 HA LEU 34 -14.373 -12.449 1.294 218 HB2 LEU 34 1HB LEU 34 -16.285 -13.384 2.107 219 HB3 LEU 34 2HB LEU 34 -16.725 -11.679 2.169 220 HG LEU 34 HG LEU 34 -17.830 -12.075 -0.110 221 HD11 LEU 34 1HD1 LEU 34 -16.690 -14.607 0.253 222 HD12 LEU 34 2HD1 LEU 34 -17.805 -14.098 -1.015 223 HD13 LEU 34 3HD1 LEU 34 -18.427 -14.821 0.468 224 HD21 LEU 34 3HD2 LEU 34 -19.774 -12.175 1.000 225 HD22 LEU 34 1HD2 LEU 34 -18.769 -12.142 2.449 226 HD23 LEU 34 2HD2 LEU 34 -19.347 -13.682 1.811 227 H ALA 35 H ALA 35 -16.082 -11.344 -1.524 228 HA ALA 35 HA ALA 35 -16.318 -13.789 -2.899 229 HB1 ALA 35 3HB ALA 35 -16.218 -12.153 -4.948 230 HB2 ALA 35 1HB ALA 35 -17.601 -12.148 -3.853 231 HB3 ALA 35 2HB ALA 35 -16.345 -10.919 -3.694 232 H GLU 36 H GLU 36 -14.078 -11.179 -3.816 233 HA GLU 36 HA GLU 36 -12.340 -12.937 -5.199 234 HB2 GLU 36 1HB GLU 36 -11.812 -10.134 -4.196 235 HB3 GLU 36 2HB GLU 36 -10.848 -10.997 -5.387 236 HG2 GLU 36 1HG GLU 36 -13.671 -10.013 -5.668 237 HG3 GLU 36 2HG GLU 36 -12.244 -9.485 -6.558 238 H ARG 37 H ARG 37 -11.561 -14.566 -3.920 239 HA ARG 37 HA ARG 37 -9.351 -13.918 -2.214 240 HB2 ARG 37 1HB ARG 37 -11.790 -15.217 -0.984 241 HB3 ARG 37 2HB ARG 37 -10.226 -15.041 -0.199 242 HG2 ARG 37 1HG ARG 37 -10.468 -12.574 -0.412 243 HG3 ARG 37 2HG ARG 37 -12.102 -12.839 -1.023 244 HD2 ARG 37 1HD ARG 37 -10.998 -13.424 1.707 245 HD3 ARG 37 2HD ARG 37 -12.369 -12.404 1.269 246 HE ARG 37 HE ARG 37 -13.698 -14.299 1.079 247 HH11 ARG 37 1HH1 ARG 37 -10.380 -15.159 1.686 248 HH12 ARG 37 2HH1 ARG 37 -10.742 -16.809 2.073 249 HH21 ARG 37 1HH2 ARG 37 -14.188 -16.468 1.586 250 HH22 ARG 37 2HH2 ARG 37 -12.908 -17.552 2.014 251 H ASN 38 H ASN 38 -7.936 -15.295 -3.075 252 HA ASN 38 HA ASN 38 -8.789 -17.963 -3.880 253 HB2 ASN 38 1HB ASN 38 -6.407 -16.245 -4.423 254 HB3 ASN 38 2HB ASN 38 -6.230 -17.991 -4.569 255 HD21 ASN 38 1HD2 ASN 38 -8.567 -15.478 -5.484 256 HD22 ASN 38 2HD2 ASN 38 -8.816 -16.059 -7.092 257 H GLY 39 H GLY 39 -8.758 -17.396 -1.079 258 HA2 GLY 39 1HA GLY 39 -7.948 -19.560 0.171 259 HA3 GLY 39 2HA GLY 39 -6.387 -18.793 -0.078 260 H ARG 40 H ARG 40 -5.692 -17.398 1.414 261 HA ARG 40 HA ARG 40 -7.610 -15.985 3.094 262 HB2 ARG 40 1HB ARG 40 -5.581 -17.963 4.110 263 HB3 ARG 40 2HB ARG 40 -6.185 -16.661 5.126 264 HG2 ARG 40 1HG ARG 40 -8.279 -17.568 5.287 265 HG3 ARG 40 2HG ARG 40 -8.147 -18.419 3.746 266 HD2 ARG 40 1HD ARG 40 -6.798 -20.109 4.676 267 HD3 ARG 40 2HD ARG 40 -6.471 -19.160 6.126 268 HE ARG 40 HE ARG 40 -9.131 -19.487 6.255 269 HH11 ARG 40 1HH1 ARG 40 -6.528 -21.731 5.697 270 HH12 ARG 40 2HH1 ARG 40 -7.356 -23.072 6.419 271 HH21 ARG 40 1HH2 ARG 40 -10.231 -21.244 7.207 272 HH22 ARG 40 2HH2 ARG 40 -9.462 -22.793 7.276 273 H ILE 41 H ILE 41 -6.400 -14.457 4.619 274 HA ILE 41 HA ILE 41 -4.139 -13.288 3.138 275 HB ILE 41 HB ILE 41 -5.897 -11.808 5.083 276 HG12 ILE 41 1HG1 ILE 41 -7.390 -12.591 3.374 277 HG13 ILE 41 2HG1 ILE 41 -7.044 -10.898 3.038 278 HG21 ILE 41 1HG2 ILE 41 -4.984 -10.041 3.208 279 HG22 ILE 41 2HG2 ILE 41 -4.251 -10.322 4.786 280 HG23 ILE 41 3HG2 ILE 41 -3.627 -11.156 3.364 281 HD11 ILE 41 3HD1 ILE 41 -5.487 -11.527 1.306 282 HD12 ILE 41 1HD1 ILE 41 -5.719 -13.234 1.682 283 HD13 ILE 41 2HD1 ILE 41 -7.052 -12.287 1.019 284 H ILE 42 H ILE 42 -2.312 -12.610 4.228 285 HA ILE 42 HA ILE 42 -2.142 -13.362 7.072 286 HB ILE 42 HB ILE 42 0.284 -13.908 6.612 287 HG12 ILE 42 1HG1 ILE 42 -0.722 -13.859 3.759 288 HG13 ILE 42 2HG1 ILE 42 0.513 -12.812 4.450 289 HG21 ILE 42 1HG2 ILE 42 -1.756 -15.650 5.236 290 HG22 ILE 42 2HG2 ILE 42 -0.199 -16.162 5.885 291 HG23 ILE 42 3HG2 ILE 42 -1.469 -15.606 6.975 292 HD11 ILE 42 3HD1 ILE 42 1.535 -14.531 3.113 293 HD12 ILE 42 1HD1 ILE 42 1.939 -14.780 4.812 294 HD13 ILE 42 2HD1 ILE 42 0.711 -15.785 4.040 295 H SER 43 H SER 43 -1.071 -11.229 4.498 296 HA SER 43 HA SER 43 -0.766 -9.032 6.270 297 HB2 SER 43 1HB SER 43 1.736 -10.392 5.270 298 HB3 SER 43 2HB SER 43 1.716 -8.701 5.769 299 HG SER 43 HG SER 43 1.442 -11.019 7.299 300 H TYR 44 H TYR 44 0.409 -7.158 5.036 301 HA TYR 44 HA TYR 44 -0.197 -7.328 2.166 302 HB2 TYR 44 1HB TYR 44 -1.067 -5.121 4.041 303 HB3 TYR 44 2HB TYR 44 -1.182 -5.041 2.287 304 HD1 TYR 44 2HD TYR 44 -2.223 -7.246 5.120 305 HD2 TYR 44 1HD TYR 44 -3.179 -5.646 1.295 306 HE1 TYR 44 2HE TYR 44 -4.426 -8.335 5.221 307 HE2 TYR 44 1HE TYR 44 -5.385 -6.730 1.386 308 HH TYR 44 HH TYR 44 -6.483 -8.418 4.276 309 H THR 45 H THR 45 0.863 -5.693 0.868 310 HA THR 45 HA THR 45 3.342 -4.709 2.124 311 HB THR 45 HB THR 45 2.914 -5.570 -0.744 312 HG1 THR 45 1HG THR 45 3.253 -7.125 1.185 313 HG21 THR 45 3HG2 THR 45 4.526 -3.943 -0.976 314 HG22 THR 45 1HG2 THR 45 5.532 -5.347 -0.622 315 HG23 THR 45 2HG2 THR 45 5.159 -4.185 0.652 316 H VAL 46 H VAL 46 3.420 -2.576 2.308 317 HA VAL 46 HA VAL 46 1.731 -0.910 0.604 318 HB VAL 46 HB VAL 46 3.402 -0.106 2.990 319 HG11 VAL 46 1HG1 VAL 46 3.051 1.863 1.836 320 HG12 VAL 46 2HG1 VAL 46 1.484 1.343 1.215 321 HG13 VAL 46 3HG1 VAL 46 1.650 1.818 2.905 322 HG21 VAL 46 3HG2 VAL 46 1.785 -1.548 3.867 323 HG22 VAL 46 1HG2 VAL 46 1.071 0.054 4.056 324 HG23 VAL 46 2HG2 VAL 46 0.547 -0.996 2.739 325 H VAL 47 H VAL 47 2.690 -0.549 -1.319 326 HA VAL 47 HA VAL 47 5.537 0.102 -1.416 327 HB VAL 47 HB VAL 47 3.648 -0.168 -3.752 328 HG11 VAL 47 1HG1 VAL 47 6.294 0.711 -3.562 329 HG12 VAL 47 2HG1 VAL 47 6.387 -0.932 -4.201 330 HG13 VAL 47 3HG1 VAL 47 5.411 0.284 -5.028 331 HG21 VAL 47 3HG2 VAL 47 3.496 -2.334 -3.224 332 HG22 VAL 47 1HG2 VAL 47 5.192 -2.450 -3.692 333 HG23 VAL 47 2HG2 VAL 47 4.759 -2.209 -2.000 334 H PHE 48 H PHE 48 6.041 2.164 -1.087 335 HA PHE 48 HA PHE 48 4.346 4.229 -2.330 336 HB2 PHE 48 1HB PHE 48 5.023 5.743 -0.494 337 HB3 PHE 48 2HB PHE 48 4.144 4.336 0.095 338 HD1 PHE 48 2HD PHE 48 5.685 2.301 0.779 339 HD2 PHE 48 1HD PHE 48 6.943 6.363 0.595 340 HE1 PHE 48 2HE PHE 48 7.529 1.796 2.327 341 HE2 PHE 48 1HE PHE 48 8.790 5.864 2.142 342 HZ PHE 48 HZ PHE 48 9.084 3.579 3.011 343 H ARG 49 H ARG 49 5.312 5.494 -3.776 344 HA ARG 49 HA ARG 49 8.193 5.951 -3.616 345 HB2 ARG 49 1HB ARG 49 8.226 4.136 -5.106 346 HB3 ARG 49 2HB ARG 49 6.756 4.659 -5.917 347 HG2 ARG 49 1HG ARG 49 7.973 6.560 -6.876 348 HG3 ARG 49 2HG ARG 49 9.448 5.998 -6.085 349 HD2 ARG 49 1HD ARG 49 9.358 5.319 -8.439 350 HD3 ARG 49 2HD ARG 49 9.367 3.930 -7.354 351 HE ARG 49 HE ARG 49 6.734 4.339 -7.792 352 HH11 ARG 49 1HH1 ARG 49 9.476 4.006 -9.911 353 HH12 ARG 49 2HH1 ARG 49 8.559 3.303 -11.202 354 HH21 ARG 49 1HH2 ARG 49 5.515 3.415 -9.484 355 HH22 ARG 49 2HH2 ARG 49 6.305 2.968 -10.958 356 H ASP 50 H ASP 50 8.915 7.787 -4.819 357 HA ASP 50 HA ASP 50 6.877 9.840 -5.011 358 HB2 ASP 50 1HB ASP 50 9.134 11.128 -5.723 359 HB3 ASP 50 2HB ASP 50 8.671 10.851 -4.046 360 H ILE 51 H ILE 51 5.740 9.955 -6.832 361 HA ILE 51 HA ILE 51 6.480 8.904 -9.312 362 HB ILE 51 HB ILE 51 4.648 10.225 -10.266 363 HG12 ILE 51 1HG1 ILE 51 4.209 11.422 -7.538 364 HG13 ILE 51 2HG1 ILE 51 5.187 12.238 -8.753 365 HG21 ILE 51 1HG2 ILE 51 2.833 9.377 -8.771 366 HG22 ILE 51 2HG2 ILE 51 4.043 8.173 -9.210 367 HG23 ILE 51 3HG2 ILE 51 4.081 8.919 -7.613 368 HD11 ILE 51 3HD1 ILE 51 2.318 11.417 -9.129 369 HD12 ILE 51 1HD1 ILE 51 2.860 13.032 -8.675 370 HD13 ILE 51 2HD1 ILE 51 3.305 12.361 -10.245 371 H ASN 52 H ASN 52 7.378 11.844 -7.780 372 HA ASN 52 HA ASN 52 8.236 13.083 -10.277 373 HB2 ASN 52 1HB ASN 52 8.323 14.065 -7.417 374 HB3 ASN 52 2HB ASN 52 8.883 14.994 -8.805 375 HD21 ASN 52 1HD2 ASN 52 6.122 13.697 -7.144 376 HD22 ASN 52 2HD2 ASN 52 4.929 14.629 -7.978 377 H SER 53 H SER 53 9.446 10.862 -8.162 378 HA SER 53 HA SER 53 12.199 11.479 -8.969 379 HB2 SER 53 1HB SER 53 11.151 11.185 -6.203 380 HB3 SER 53 2HB SER 53 12.701 10.421 -6.552 381 HG SER 53 HG SER 53 12.280 12.940 -6.009 382 H GLN 54 H GLN 54 13.624 9.470 -8.201 383 HA GLN 54 HA GLN 54 12.212 7.080 -9.182 384 HB2 GLN 54 1HB GLN 54 14.076 7.984 -10.601 385 HB3 GLN 54 2HB GLN 54 15.182 7.619 -9.284 386 HG2 GLN 54 1HG GLN 54 14.908 5.317 -9.531 387 HG3 GLN 54 2HG GLN 54 13.430 5.504 -10.474 388 HE21 GLN 54 1HE2 GLN 54 13.736 6.694 -12.576 389 HE22 GLN 54 2HE2 GLN 54 15.143 6.299 -13.497 390 H GLN 55 H GLN 55 12.093 7.814 -6.461 391 HA GLN 55 HA GLN 55 13.905 5.907 -5.156 392 HB2 GLN 55 1HB GLN 55 14.004 8.058 -4.127 393 HB3 GLN 55 2HB GLN 55 12.251 8.187 -4.077 394 HG2 GLN 55 1HG GLN 55 13.104 7.726 -1.876 395 HG3 GLN 55 2HG GLN 55 12.177 6.344 -2.459 396 HE21 GLN 55 1HE2 GLN 55 13.178 4.411 -2.772 397 HE22 GLN 55 2HE2 GLN 55 14.823 4.104 -2.340 398 H GLU 56 H GLU 56 12.976 3.936 -5.370 399 HA GLU 56 HA GLU 56 10.129 3.616 -4.827 400 HB2 GLU 56 1HB GLU 56 11.400 2.481 -6.757 401 HB3 GLU 56 2HB GLU 56 12.048 1.406 -5.526 402 HG2 GLU 56 1HG GLU 56 9.920 0.540 -5.015 403 HG3 GLU 56 2HG GLU 56 9.101 1.821 -5.906 404 H LEU 57 H LEU 57 9.298 2.658 -3.050 405 HA LEU 57 HA LEU 57 11.031 1.217 -1.212 406 HB2 LEU 57 1HB LEU 57 9.401 3.560 -0.253 407 HB3 LEU 57 2HB LEU 57 10.501 2.561 0.695 408 HG LEU 57 HG LEU 57 11.548 4.164 -1.604 409 HD11 LEU 57 1HD1 LEU 57 12.075 5.819 0.412 410 HD12 LEU 57 2HD1 LEU 57 10.530 5.189 0.981 411 HD13 LEU 57 3HD1 LEU 57 10.634 5.977 -0.593 412 HD21 LEU 57 3HD2 LEU 57 13.315 2.987 -0.847 413 HD22 LEU 57 1HD2 LEU 57 12.598 2.724 0.743 414 HD23 LEU 57 2HD2 LEU 57 13.379 4.261 0.372 415 H GLN 58 H GLN 58 9.891 -0.059 0.316 416 HA GLN 58 HA GLN 58 6.984 -0.179 0.031 417 HB2 GLN 58 1HB GLN 58 8.800 -2.570 -0.326 418 HB3 GLN 58 2HB GLN 58 7.043 -2.625 -0.258 419 HG2 GLN 58 1HG GLN 58 6.791 -1.797 -2.357 420 HG3 GLN 58 2HG GLN 58 8.279 -0.854 -2.284 421 HE21 GLN 58 1HE2 GLN 58 7.521 -2.426 -4.471 422 HE22 GLN 58 2HE2 GLN 58 8.660 -3.715 -4.637 423 H ASN 59 H ASN 59 5.948 -1.479 1.711 424 HA ASN 59 HA ASN 59 7.614 -1.943 4.080 425 HB2 ASN 59 1HB ASN 59 5.215 -0.147 3.879 426 HB3 ASN 59 2HB ASN 59 5.606 -0.940 5.402 427 HD21 ASN 59 1HD2 ASN 59 8.283 -0.844 5.515 428 HD22 ASN 59 2HD2 ASN 59 8.837 0.792 5.537 429 H ILE 60 H ILE 60 6.299 -3.096 5.821 430 HA ILE 60 HA ILE 60 4.208 -4.811 4.703 431 HB ILE 60 HB ILE 60 6.605 -5.925 6.163 432 HG12 ILE 60 1HG1 ILE 60 5.843 -6.230 3.252 433 HG13 ILE 60 2HG1 ILE 60 7.107 -5.158 3.843 434 HG21 ILE 60 1HG2 ILE 60 4.227 -6.986 6.323 435 HG22 ILE 60 2HG2 ILE 60 4.583 -7.554 4.692 436 HG23 ILE 60 3HG2 ILE 60 5.633 -8.009 6.034 437 HD11 ILE 60 3HD1 ILE 60 7.923 -7.317 2.930 438 HD12 ILE 60 1HD1 ILE 60 8.413 -7.004 4.595 439 HD13 ILE 60 2HD1 ILE 60 7.101 -8.134 4.259 440 H THR 61 H THR 61 2.615 -5.260 6.109 441 HA THR 61 HA THR 61 3.070 -5.112 8.973 442 HB THR 61 HB THR 61 2.575 -2.794 8.519 443 HG1 THR 61 1HG THR 61 1.313 -2.803 10.211 444 HG21 THR 61 3HG2 THR 61 1.206 -2.119 6.894 445 HG22 THR 61 1HG2 THR 61 -0.142 -3.020 7.588 446 HG23 THR 61 2HG2 THR 61 0.963 -3.813 6.466 447 H THR 62 H THR 62 1.597 -6.276 10.163 448 HA THR 62 HA THR 62 -0.027 -8.143 8.682 449 HB THR 62 HB THR 62 -0.550 -9.093 10.940 450 HG1 THR 62 1HG THR 62 -0.070 -6.899 11.940 451 HG21 THR 62 3HG2 THR 62 1.654 -9.426 9.440 452 HG22 THR 62 1HG2 THR 62 1.382 -10.284 10.955 453 HG23 THR 62 2HG2 THR 62 2.397 -8.842 10.928 454 H ASP 63 H ASP 63 -0.660 -5.129 9.131 455 HA ASP 63 HA ASP 63 -3.461 -5.554 9.943 456 HB2 ASP 63 1HB ASP 63 -1.551 -3.347 10.585 457 HB3 ASP 63 2HB ASP 63 -3.262 -2.963 10.425 458 H THR 64 H THR 64 -5.012 -4.050 8.944 459 HA THR 64 HA THR 64 -4.507 -3.848 6.110 460 HB THR 64 HB THR 64 -6.924 -2.730 6.317 461 HG1 THR 64 1HG THR 64 -7.112 -4.515 8.469 462 HG21 THR 64 3HG2 THR 64 -6.101 -4.994 5.323 463 HG22 THR 64 1HG2 THR 64 -7.810 -4.782 5.701 464 HG23 THR 64 2HG2 THR 64 -6.767 -5.679 6.805 465 H ARG 65 H ARG 65 -3.208 -2.035 8.212 466 HA ARG 65 HA ARG 65 -3.622 0.438 6.706 467 HB2 ARG 65 1HB ARG 65 -3.795 1.791 8.699 468 HB3 ARG 65 2HB ARG 65 -5.052 0.562 8.730 469 HG2 ARG 65 1HG ARG 65 -4.333 0.378 10.867 470 HG3 ARG 65 2HG ARG 65 -3.203 -0.747 10.111 471 HD2 ARG 65 1HD ARG 65 -1.704 0.511 11.263 472 HD3 ARG 65 2HD ARG 65 -1.801 1.493 9.802 473 HE ARG 65 HE ARG 65 -2.645 3.165 11.089 474 HH11 ARG 65 1HH1 ARG 65 -3.326 0.133 12.658 475 HH12 ARG 65 2HH1 ARG 65 -4.058 0.866 14.046 476 HH21 ARG 65 1HH2 ARG 65 -3.607 4.143 12.912 477 HH22 ARG 65 2HH2 ARG 65 -4.218 3.147 14.189 478 H PHE 66 H PHE 66 -1.917 2.101 7.346 479 HA PHE 66 HA PHE 66 0.486 1.261 8.582 480 HB2 PHE 66 1HB PHE 66 0.513 -0.073 6.419 481 HB3 PHE 66 2HB PHE 66 0.679 1.465 5.578 482 HD1 PHE 66 1HD PHE 66 2.293 -0.815 7.987 483 HD2 PHE 66 2HD PHE 66 2.756 2.578 5.460 484 HE1 PHE 66 1HE PHE 66 4.730 -0.906 8.316 485 HE2 PHE 66 2HE PHE 66 5.194 2.492 5.784 486 HZ PHE 66 HZ PHE 66 6.184 0.748 7.213 487 H THR 67 H THR 67 2.277 2.860 8.206 488 HA THR 67 HA THR 67 1.306 5.476 7.303 489 HB THR 67 HB THR 67 2.606 4.984 9.989 490 HG1 THR 67 1HG THR 67 0.226 4.616 9.613 491 HG21 THR 67 3HG2 THR 67 3.280 7.105 9.946 492 HG22 THR 67 1HG2 THR 67 1.609 7.624 9.726 493 HG23 THR 67 2HG2 THR 67 2.623 7.297 8.320 494 H LEU 68 H LEU 68 2.678 5.986 5.724 495 HA LEU 68 HA LEU 68 5.295 4.991 5.459 496 HB2 LEU 68 1HB LEU 68 3.934 7.372 4.217 497 HB3 LEU 68 2HB LEU 68 5.544 6.822 3.757 498 HG LEU 68 HG LEU 68 4.373 5.776 2.130 499 HD11 LEU 68 1HD1 LEU 68 5.362 3.997 3.505 500 HD12 LEU 68 2HD1 LEU 68 3.897 3.466 2.681 501 HD13 LEU 68 3HD1 LEU 68 3.848 3.861 4.399 502 HD21 LEU 68 3HD2 LEU 68 2.017 5.563 4.002 503 HD22 LEU 68 1HD2 LEU 68 2.034 5.085 2.305 504 HD23 LEU 68 2HD2 LEU 68 2.239 6.781 2.745 505 H THR 69 H THR 69 7.221 6.539 5.186 506 HA THR 69 HA THR 69 7.297 8.823 6.929 507 HB THR 69 HB THR 69 8.939 7.997 8.507 508 HG1 THR 69 1HG THR 69 9.585 5.824 8.467 509 HG21 THR 69 3HG2 THR 69 7.563 6.472 9.797 510 HG22 THR 69 1HG2 THR 69 6.611 6.077 8.366 511 HG23 THR 69 2HG2 THR 69 6.544 7.702 9.050 512 H GLY 70 H GLY 70 9.513 9.784 7.019 513 HA2 GLY 70 1HA GLY 70 11.425 10.518 5.980 514 HA3 GLY 70 2HA GLY 70 11.587 8.898 5.320 515 H LEU 71 H LEU 71 8.871 11.075 4.782 516 HA LEU 71 HA LEU 71 9.548 11.071 1.919 517 HB2 LEU 71 1HB LEU 71 6.862 11.848 2.958 518 HB3 LEU 71 2HB LEU 71 7.300 11.139 1.406 519 HG LEU 71 HG LEU 71 7.446 9.589 3.980 520 HD11 LEU 71 1HD1 LEU 71 5.104 10.588 2.797 521 HD12 LEU 71 2HD1 LEU 71 5.243 9.362 4.056 522 HD13 LEU 71 3HD1 LEU 71 5.194 8.882 2.360 523 HD21 LEU 71 3HD2 LEU 71 7.627 8.972 1.066 524 HD22 LEU 71 1HD2 LEU 71 7.006 7.751 2.177 525 HD23 LEU 71 2HD2 LEU 71 8.629 8.404 2.403 526 H LYS 72 H LYS 72 9.004 13.019 0.689 527 HA LYS 72 HA LYS 72 9.815 15.397 2.154 528 HB2 LYS 72 1HB LYS 72 10.732 14.621 -0.138 529 HB3 LYS 72 2HB LYS 72 9.241 15.285 -0.795 530 HG2 LYS 72 1HG LYS 72 9.791 17.474 0.038 531 HG3 LYS 72 2HG LYS 72 11.222 16.841 0.856 532 HD2 LYS 72 1HD LYS 72 12.135 17.717 -1.075 533 HD3 LYS 72 2HD LYS 72 11.885 16.030 -1.533 534 HE2 LYS 72 1HE LYS 72 9.856 16.592 -2.694 535 HE3 LYS 72 2HE LYS 72 9.934 18.254 -2.112 536 HZ1 LYS 72 3HZ LYS 72 11.641 18.769 -3.537 537 HZ2 LYS 72 1HZ LYS 72 10.757 17.679 -4.483 538 HZ3 LYS 72 2HZ LYS 72 12.162 17.167 -3.692 539 HA PRO 73 HA PRO 73 5.735 17.031 2.507 540 HB2 PRO 73 1HB PRO 73 6.382 19.641 2.886 541 HB3 PRO 73 2HB PRO 73 6.596 18.407 4.134 542 HG2 PRO 73 1HG PRO 73 8.617 19.576 2.260 543 HG3 PRO 73 2HG PRO 73 8.770 19.220 3.990 544 HD2 PRO 73 1HD PRO 73 9.772 17.591 2.073 545 HD3 PRO 73 2HD PRO 73 9.160 16.978 3.622 546 H ASP 74 H ASP 74 4.206 17.916 1.202 547 HA ASP 74 HA ASP 74 3.229 18.766 -0.668 548 HB2 ASP 74 1HB ASP 74 4.172 20.883 0.005 549 HB3 ASP 74 2HB ASP 74 5.739 20.451 -0.672 550 H THR 75 H THR 75 4.445 16.356 -1.035 551 HA THR 75 HA THR 75 5.240 16.535 -3.843 552 HB THR 75 HB THR 75 6.854 15.183 -1.689 553 HG1 THR 75 1HG THR 75 7.902 16.992 -2.086 554 HG21 THR 75 3HG2 THR 75 6.644 14.520 -4.598 555 HG22 THR 75 1HG2 THR 75 6.796 13.441 -3.212 556 HG23 THR 75 2HG2 THR 75 8.194 14.358 -3.774 557 H THR 76 H THR 76 4.137 15.127 -5.035 558 HA THR 76 HA THR 76 2.244 13.363 -3.933 559 HB THR 76 HB THR 76 3.379 13.270 -6.734 560 HG1 THR 76 1HG THR 76 2.314 15.321 -5.739 561 HG21 THR 76 3HG2 THR 76 1.624 11.541 -5.496 562 HG22 THR 76 1HG2 THR 76 1.783 11.778 -7.236 563 HG23 THR 76 2HG2 THR 76 0.555 12.665 -6.333 564 H TYR 77 H TYR 77 2.354 11.297 -3.305 565 HA TYR 77 HA TYR 77 4.765 9.755 -3.998 566 HB2 TYR 77 1HB TYR 77 3.504 10.233 -1.334 567 HB3 TYR 77 2HB TYR 77 4.251 8.669 -1.639 568 HD1 TYR 77 1HD TYR 77 6.690 8.606 -2.311 569 HD2 TYR 77 2HD TYR 77 4.815 12.118 -0.810 570 HE1 TYR 77 1HE TYR 77 8.898 9.552 -1.783 571 HE2 TYR 77 2HE TYR 77 7.018 13.074 -0.279 572 HH TYR 77 HH TYR 77 9.761 11.353 -0.046 573 H ASP 78 H ASP 78 4.066 8.260 -5.387 574 HA ASP 78 HA ASP 78 1.446 7.227 -5.484 575 HB2 ASP 78 1HB ASP 78 2.764 7.136 -7.470 576 HB3 ASP 78 2HB ASP 78 4.051 6.251 -6.655 577 H ILE 79 H ILE 79 0.728 6.344 -3.597 578 HA ILE 79 HA ILE 79 2.277 4.111 -2.469 579 HB ILE 79 HB ILE 79 0.030 5.642 -1.158 580 HG12 ILE 79 1HG1 ILE 79 2.864 5.859 -0.257 581 HG13 ILE 79 2HG1 ILE 79 2.385 6.763 -1.689 582 HG21 ILE 79 1HG2 ILE 79 0.606 3.211 -0.495 583 HG22 ILE 79 2HG2 ILE 79 2.044 3.924 0.235 584 HG23 ILE 79 3HG2 ILE 79 0.441 4.425 0.773 585 HD11 ILE 79 3HD1 ILE 79 0.696 6.977 0.742 586 HD12 ILE 79 1HD1 ILE 79 2.248 7.813 0.712 587 HD13 ILE 79 2HD1 ILE 79 1.031 8.168 -0.514 588 H LYS 80 H LYS 80 1.497 2.099 -2.550 589 HA LYS 80 HA LYS 80 -1.350 1.704 -3.162 590 HB2 LYS 80 1HB LYS 80 -0.454 -0.315 -4.574 591 HB3 LYS 80 2HB LYS 80 -0.519 1.296 -5.277 592 HG2 LYS 80 1HG LYS 80 1.949 1.393 -4.286 593 HG3 LYS 80 2HG LYS 80 1.815 -0.352 -4.512 594 HD2 LYS 80 1HD LYS 80 1.049 1.540 -6.706 595 HD3 LYS 80 2HD LYS 80 2.737 1.095 -6.448 596 HE2 LYS 80 1HE LYS 80 2.191 -1.249 -6.728 597 HE3 LYS 80 2HE LYS 80 0.479 -0.858 -6.881 598 HZ1 LYS 80 3HZ LYS 80 1.302 -1.164 -9.053 599 HZ2 LYS 80 1HZ LYS 80 2.664 -0.200 -8.771 600 HZ3 LYS 80 2HZ LYS 80 1.131 0.508 -8.864 601 H VAL 81 H VAL 81 -1.608 -0.931 -3.148 602 HA VAL 81 HA VAL 81 -0.145 -2.129 -0.954 603 HB VAL 81 HB VAL 81 -2.212 -0.703 -0.106 604 HG11 VAL 81 1HG1 VAL 81 -4.241 -1.982 0.078 605 HG12 VAL 81 2HG1 VAL 81 -3.792 -1.869 -1.626 606 HG13 VAL 81 3HG1 VAL 81 -3.494 -3.360 -0.731 607 HG21 VAL 81 3HG2 VAL 81 -2.009 -1.833 1.865 608 HG22 VAL 81 1HG2 VAL 81 -2.082 -3.417 1.092 609 HG23 VAL 81 2HG2 VAL 81 -0.594 -2.473 1.030 610 H ARG 82 H ARG 82 -0.791 -4.395 -0.589 611 HA ARG 82 HA ARG 82 -2.451 -5.671 -2.571 612 HB2 ARG 82 1HB ARG 82 -0.765 -6.994 -3.623 613 HB3 ARG 82 2HB ARG 82 -0.250 -5.316 -3.729 614 HG2 ARG 82 1HG ARG 82 1.156 -5.752 -1.676 615 HG3 ARG 82 2HG ARG 82 0.802 -7.464 -1.915 616 HD2 ARG 82 1HD ARG 82 1.969 -5.730 -4.077 617 HD3 ARG 82 2HD ARG 82 2.970 -6.595 -2.911 618 HE ARG 82 HE ARG 82 1.242 -8.459 -4.004 619 HH11 ARG 82 1HH1 ARG 82 3.764 -6.333 -5.117 620 HH12 ARG 82 2HH1 ARG 82 4.241 -7.369 -6.422 621 HH21 ARG 82 1HH2 ARG 82 1.860 -9.831 -5.718 622 HH22 ARG 82 2HH2 ARG 82 3.157 -9.358 -6.763 623 H ALA 83 H ALA 83 -3.231 -7.591 -1.862 624 HA ALA 83 HA ALA 83 -2.612 -8.349 0.856 625 HB1 ALA 83 3HB ALA 83 -4.457 -9.940 -0.859 626 HB2 ALA 83 1HB ALA 83 -4.579 -9.526 0.851 627 HB3 ALA 83 2HB ALA 83 -4.928 -8.310 -0.378 628 H TRP 84 H TRP 84 -1.628 -10.200 1.544 629 HA TRP 84 HA TRP 84 -0.392 -11.871 -0.545 630 HB2 TRP 84 1HB TRP 84 0.643 -11.044 2.168 631 HB3 TRP 84 2HB TRP 84 1.369 -12.341 1.222 632 HD1 TRP 84 HD TRP 84 0.463 -8.603 0.623 633 HE1 TRP 84 1HE TRP 84 2.366 -7.548 -0.752 634 HE3 TRP 84 3HE TRP 84 3.413 -12.734 0.014 635 HZ2 TRP 84 2HZ TRP 84 4.795 -8.359 -1.938 636 HZ3 TRP 84 3HZ TRP 84 5.509 -12.510 -1.254 637 HH2 TRP 84 HH TRP 84 6.184 -10.367 -2.209 638 H THR 85 H THR 85 -0.411 -14.087 -0.317 639 HA THR 85 HA THR 85 -2.157 -15.125 1.818 640 HB THR 85 HB THR 85 -2.605 -17.038 0.248 641 HG1 THR 85 1HG THR 85 -2.146 -16.489 -2.017 642 HG21 THR 85 3HG2 THR 85 -3.572 -14.308 0.080 643 HG22 THR 85 1HG2 THR 85 -4.469 -15.825 0.018 644 HG23 THR 85 2HG2 THR 85 -3.751 -15.164 -1.451 645 H SER 86 H SER 86 -1.744 -17.452 2.369 646 HA SER 86 HA SER 86 0.823 -17.797 3.370 647 HB2 SER 86 1HB SER 86 -1.050 -20.071 2.703 648 HB3 SER 86 2HB SER 86 0.159 -20.008 3.985 649 HG SER 86 HG SER 86 -1.472 -19.371 5.151 650 H LYS 87 H LYS 87 -0.310 -18.221 0.195 651 HA LYS 87 HA LYS 87 1.791 -20.089 -0.561 652 HB2 LYS 87 1HB LYS 87 -0.260 -18.703 -2.298 653 HB3 LYS 87 2HB LYS 87 0.779 -20.040 -2.775 654 HG2 LYS 87 1HG LYS 87 -0.998 -20.436 -0.433 655 HG3 LYS 87 2HG LYS 87 -1.731 -20.404 -2.038 656 HD2 LYS 87 1HD LYS 87 0.174 -22.076 -2.641 657 HD3 LYS 87 2HD LYS 87 0.256 -22.326 -0.896 658 HE2 LYS 87 1HE LYS 87 -2.271 -22.702 -1.018 659 HE3 LYS 87 2HE LYS 87 -2.042 -22.841 -2.761 660 HZ1 LYS 87 3HZ LYS 87 -1.458 -24.733 -0.695 661 HZ2 LYS 87 1HZ LYS 87 -0.132 -24.473 -1.712 662 HZ3 LYS 87 2HZ LYS 87 -1.611 -24.972 -2.363 663 H GLY 88 H GLY 88 0.728 -16.861 -1.668 664 HA2 GLY 88 1HA GLY 88 3.427 -15.875 -1.671 665 HA3 GLY 88 2HA GLY 88 2.820 -16.189 -3.290 666 H SER 89 H SER 89 2.690 -14.119 -4.024 667 HA SER 89 HA SER 89 0.928 -12.292 -2.526 668 HB2 SER 89 1HB SER 89 2.117 -10.505 -3.960 669 HB3 SER 89 2HB SER 89 3.024 -11.229 -2.633 670 HG SER 89 HG SER 89 3.422 -11.409 -5.353 671 H GLY 90 H GLY 90 -0.297 -10.740 -3.914 672 HA2 GLY 90 1HA GLY 90 -1.196 -12.095 -6.382 673 HA3 GLY 90 2HA GLY 90 -2.280 -11.236 -5.298 674 HA PRO 91 HA PRO 91 -1.454 -8.232 -8.616 675 HB2 PRO 91 1HB PRO 91 -3.820 -6.936 -8.311 676 HB3 PRO 91 2HB PRO 91 -3.652 -8.418 -9.259 677 HG2 PRO 91 1HG PRO 91 -4.640 -8.065 -6.455 678 HG3 PRO 91 2HG PRO 91 -5.291 -9.086 -7.751 679 HD2 PRO 91 1HD PRO 91 -3.746 -10.071 -5.758 680 HD3 PRO 91 2HD PRO 91 -3.730 -10.745 -7.400 681 H LEU 92 H LEU 92 -1.798 -5.749 -8.537 682 HA LEU 92 HA LEU 92 -1.062 -4.794 -5.848 683 HB2 LEU 92 1HB LEU 92 0.090 -4.278 -8.524 684 HB3 LEU 92 2HB LEU 92 -0.007 -2.903 -7.425 685 HG LEU 92 HG LEU 92 1.295 -5.477 -6.593 686 HD11 LEU 92 1HD1 LEU 92 2.170 -4.139 -8.779 687 HD12 LEU 92 2HD1 LEU 92 3.210 -5.048 -7.683 688 HD13 LEU 92 3HD1 LEU 92 3.047 -3.302 -7.498 689 HD21 LEU 92 3HD2 LEU 92 0.984 -4.124 -4.737 690 HD22 LEU 92 1HD2 LEU 92 1.266 -2.639 -5.645 691 HD23 LEU 92 2HD2 LEU 92 2.618 -3.702 -5.253 692 H SER 93 H SER 93 -2.363 -3.327 -4.976 693 HA SER 93 HA SER 93 -4.712 -2.437 -6.223 694 HB2 SER 93 1HB SER 93 -5.192 -1.343 -4.231 695 HB3 SER 93 2HB SER 93 -4.047 -2.569 -3.687 696 HG SER 93 HG SER 93 -3.422 0.127 -4.327 697 HA PRO 94 HA PRO 94 -3.555 1.107 -8.536 698 HB2 PRO 94 1HB PRO 94 -5.729 2.698 -8.199 699 HB3 PRO 94 2HB PRO 94 -5.749 1.243 -9.203 700 HG2 PRO 94 1HG PRO 94 -6.716 1.621 -6.395 701 HG3 PRO 94 2HG PRO 94 -7.482 0.747 -7.735 702 HD2 PRO 94 1HD PRO 94 -6.109 -0.512 -5.770 703 HD3 PRO 94 2HD PRO 94 -6.163 -1.120 -7.437 704 H SER 95 H SER 95 -1.964 2.402 -7.857 705 HA SER 95 HA SER 95 -1.586 3.457 -5.342 706 HB2 SER 95 1HB SER 95 -0.315 5.325 -6.797 707 HB3 SER 95 2HB SER 95 0.323 3.696 -6.575 708 HG SER 95 HG SER 95 -0.076 3.255 -8.606 709 H ILE 96 H ILE 96 -1.902 5.507 -4.409 710 HA ILE 96 HA ILE 96 -4.233 6.935 -5.486 711 HB ILE 96 HB ILE 96 -4.252 7.955 -3.120 712 HG12 ILE 96 1HG1 ILE 96 -2.600 5.480 -2.573 713 HG13 ILE 96 2HG1 ILE 96 -1.974 7.125 -2.534 714 HG21 ILE 96 1HG2 ILE 96 -6.011 6.530 -3.700 715 HG22 ILE 96 2HG2 ILE 96 -4.959 5.118 -3.786 716 HG23 ILE 96 3HG2 ILE 96 -5.356 5.827 -2.221 717 HD11 ILE 96 3HD1 ILE 96 -2.378 6.711 -0.315 718 HD12 ILE 96 1HD1 ILE 96 -3.871 7.512 -0.802 719 HD13 ILE 96 2HD1 ILE 96 -3.824 5.756 -0.644 720 H GLN 97 H GLN 97 -0.887 7.276 -4.671 721 HA GLN 97 HA GLN 97 0.608 8.966 -4.958 722 HB2 GLN 97 1HB GLN 97 -1.568 9.637 -6.862 723 HB3 GLN 97 2HB GLN 97 -0.416 10.913 -6.494 724 HG2 GLN 97 1HG GLN 97 1.303 9.859 -7.535 725 HG3 GLN 97 2HG GLN 97 0.675 8.249 -7.186 726 HE21 GLN 97 1HE2 GLN 97 0.199 7.209 -8.972 727 HE22 GLN 97 2HE2 GLN 97 -0.520 7.884 -10.390 728 H SER 98 H SER 98 -0.629 9.061 -2.585 729 HA SER 98 HA SER 98 -1.923 11.540 -2.040 730 HB2 SER 98 1HB SER 98 -1.883 9.263 -0.692 731 HB3 SER 98 2HB SER 98 -0.507 10.020 0.111 732 HG SER 98 HG SER 98 -2.075 11.891 0.298 733 H ARG 99 H ARG 99 -0.904 13.419 -2.275 734 HA ARG 99 HA ARG 99 1.947 13.657 -1.910 735 HB2 ARG 99 1HB ARG 99 1.058 14.953 -3.680 736 HB3 ARG 99 2HB ARG 99 -0.228 15.596 -2.668 737 HG2 ARG 99 1HG ARG 99 1.430 16.858 -1.377 738 HG3 ARG 99 2HG ARG 99 2.706 16.228 -2.421 739 HD2 ARG 99 1HD ARG 99 2.086 18.453 -3.136 740 HD3 ARG 99 2HD ARG 99 1.603 17.277 -4.358 741 HE ARG 99 HE ARG 99 -0.139 18.903 -2.711 742 HH11 ARG 99 1HH1 ARG 99 0.156 16.160 -4.835 743 HH12 ARG 99 2HH1 ARG 99 -1.527 16.135 -5.249 744 HH21 ARG 99 1HH2 ARG 99 -2.356 18.880 -3.248 745 HH22 ARG 99 2HH2 ARG 99 -2.954 17.683 -4.346 746 H THR 100 H THR 100 2.795 13.805 0.054 747 HA THR 100 HA THR 100 1.607 14.165 2.455 748 HB THR 100 HB THR 100 3.748 15.051 3.330 749 HG1 THR 100 1HG THR 100 4.250 15.360 0.567 750 HG21 THR 100 3HG2 THR 100 3.462 12.629 1.705 751 HG22 THR 100 1HG2 THR 100 4.078 12.826 3.345 752 HG23 THR 100 2HG2 THR 100 5.133 13.130 1.965 753 H MET 101 H MET 101 1.290 15.913 3.908 754 HA MET 101 HA MET 101 0.124 18.203 2.739 755 HB2 MET 101 1HB MET 101 -0.531 18.779 4.868 756 HB3 MET 101 2HB MET 101 -0.247 17.057 5.079 757 HG2 MET 101 1HG MET 101 1.881 17.464 6.088 758 HG3 MET 101 2HG MET 101 1.782 19.183 5.711 759 HE1 MET 101 3HE MET 101 -0.248 16.317 7.563 760 HE2 MET 101 1HE MET 101 -1.351 17.311 8.516 761 HE3 MET 101 2HE MET 101 -1.438 17.339 6.755 762 HA PRO 102 HA PRO 102 3.615 20.829 2.175 763 HB2 PRO 102 1HB PRO 102 2.332 23.222 2.139 764 HB3 PRO 102 2HB PRO 102 2.262 22.074 0.797 765 HG2 PRO 102 1HG PRO 102 0.270 22.563 2.977 766 HG3 PRO 102 2HG PRO 102 -0.007 22.315 1.243 767 HD2 PRO 102 1HD PRO 102 -0.355 20.347 3.070 768 HD3 PRO 102 2HD PRO 102 0.189 20.025 1.411 769 H VAL 103 H VAL 103 4.758 20.598 4.106 770 HA VAL 103 HA VAL 103 4.139 21.402 6.635 771 HB VAL 103 HB VAL 103 6.201 20.237 6.193 772 HG11 VAL 103 1HG1 VAL 103 6.526 22.156 4.167 773 HG12 VAL 103 2HG1 VAL 103 7.874 22.380 5.284 774 HG13 VAL 103 3HG1 VAL 103 7.587 20.801 4.552 775 HG21 VAL 103 3HG2 VAL 103 6.682 21.142 8.188 776 HG22 VAL 103 1HG2 VAL 103 7.770 22.192 7.280 777 HG23 VAL 103 2HG2 VAL 103 6.149 22.749 7.694 Start of MODEL 16 1 H1 GLY 1 H GLY 1 5.041 -15.840 -15.328 2 HA2 GLY 1 1HA GLY 1 4.893 -16.494 -13.095 3 HA3 GLY 1 2HA GLY 1 5.211 -18.049 -13.850 4 H SER 2 H SER 2 6.688 -15.302 -12.221 5 HA SER 2 HA SER 2 8.721 -17.082 -11.139 6 HB2 SER 2 1HB SER 2 10.558 -15.525 -11.711 7 HB3 SER 2 2HB SER 2 9.794 -16.199 -13.150 8 HG SER 2 HG SER 2 10.032 -13.999 -13.442 9 H SER 3 H SER 3 9.750 -16.264 -9.250 10 HA SER 3 HA SER 3 9.717 -15.262 -7.206 11 HB2 SER 3 1HB SER 3 10.353 -13.338 -8.873 12 HB3 SER 3 2HB SER 3 8.752 -12.719 -8.469 13 HG SER 3 HG SER 3 11.008 -12.554 -7.051 14 H GLY 4 H GLY 4 7.396 -16.668 -7.844 15 HA2 GLY 4 1HA GLY 4 5.634 -15.933 -5.861 16 HA3 GLY 4 2HA GLY 4 5.048 -15.129 -7.309 17 H SER 5 H SER 5 5.863 -18.285 -5.942 18 HA SER 5 HA SER 5 5.017 -19.956 -7.957 19 HB2 SER 5 1HB SER 5 4.583 -21.631 -6.210 20 HB3 SER 5 2HB SER 5 6.080 -20.756 -5.888 21 HG SER 5 HG SER 5 3.570 -20.484 -4.619 22 H SER 6 H SER 6 3.047 -18.456 -5.415 23 HA SER 6 HA SER 6 0.729 -18.492 -7.122 24 HB2 SER 6 1HB SER 6 0.933 -20.310 -4.734 25 HB3 SER 6 2HB SER 6 -0.630 -19.692 -5.269 26 HG SER 6 HG SER 6 1.006 -20.780 -7.229 27 H GLY 7 H GLY 7 -1.254 -17.693 -5.748 28 HA2 GLY 7 1HA GLY 7 -1.081 -16.306 -3.396 29 HA3 GLY 7 2HA GLY 7 -0.437 -15.194 -4.596 30 HA PRO 8 HA PRO 8 -5.089 -14.769 -4.333 31 HB2 PRO 8 1HB PRO 8 -5.090 -12.105 -3.808 32 HB3 PRO 8 2HB PRO 8 -5.006 -13.334 -2.540 33 HG2 PRO 8 1HG PRO 8 -2.800 -11.723 -3.764 34 HG3 PRO 8 2HG PRO 8 -3.079 -12.125 -2.060 35 HD2 PRO 8 1HD PRO 8 -1.281 -13.446 -3.593 36 HD3 PRO 8 2HD PRO 8 -2.179 -14.235 -2.280 37 H SER 9 H SER 9 -6.454 -13.314 -5.672 38 HA SER 9 HA SER 9 -5.010 -12.366 -8.060 39 HB2 SER 9 1HB SER 9 -7.384 -14.146 -7.809 40 HB3 SER 9 2HB SER 9 -7.376 -12.990 -9.140 41 HG SER 9 HG SER 9 -6.206 -15.297 -9.116 42 H GLY 10 H GLY 10 -7.093 -11.596 -5.530 43 HA2 GLY 10 1HA GLY 10 -8.110 -9.233 -6.982 44 HA3 GLY 10 2HA GLY 10 -8.937 -9.987 -5.627 45 H PHE 11 H PHE 11 -8.025 -7.207 -6.020 46 HA PHE 11 HA PHE 11 -6.059 -6.987 -3.847 47 HB2 PHE 11 1HB PHE 11 -5.962 -4.546 -4.672 48 HB3 PHE 11 2HB PHE 11 -5.234 -5.787 -5.687 49 HD1 PHE 11 2HD PHE 11 -6.426 -6.569 -7.717 50 HD2 PHE 11 1HD PHE 11 -7.791 -3.254 -5.423 51 HE1 PHE 11 2HE PHE 11 -7.817 -5.838 -9.610 52 HE2 PHE 11 1HE PHE 11 -9.186 -2.518 -7.312 53 HZ PHE 11 HZ PHE 11 -9.200 -3.809 -9.409 54 HA PRO 12 HA PRO 12 -8.985 -5.322 -1.034 55 HB2 PRO 12 1HB PRO 12 -7.498 -3.470 0.281 56 HB3 PRO 12 2HB PRO 12 -7.281 -5.210 0.503 57 HG2 PRO 12 1HG PRO 12 -5.707 -3.305 -1.186 58 HG3 PRO 12 2HG PRO 12 -5.127 -4.611 -0.135 59 HD2 PRO 12 1HD PRO 12 -5.324 -4.881 -2.822 60 HD3 PRO 12 2HD PRO 12 -5.568 -6.240 -1.706 61 H GLN 13 H GLN 13 -9.909 -3.199 -0.211 62 HA GLN 13 HA GLN 13 -9.815 -1.114 -2.283 63 HB2 GLN 13 1HB GLN 13 -12.391 -1.816 -0.917 64 HB3 GLN 13 2HB GLN 13 -12.140 -0.955 -2.429 65 HG2 GLN 13 1HG GLN 13 -11.284 -3.795 -2.251 66 HG3 GLN 13 2HG GLN 13 -13.003 -3.432 -2.387 67 HE21 GLN 13 1HE2 GLN 13 -12.066 -4.842 -4.369 68 HE22 GLN 13 2HE2 GLN 13 -11.820 -3.898 -5.795 69 H ASN 14 H ASN 14 -11.325 0.808 -1.341 70 HA ASN 14 HA ASN 14 -11.444 2.526 0.144 71 HB2 ASN 14 1HB ASN 14 -11.388 0.119 1.892 72 HB3 ASN 14 2HB ASN 14 -11.102 1.677 2.660 73 HD21 ASN 14 1HD2 ASN 14 -13.205 0.763 -0.035 74 HD22 ASN 14 2HD2 ASN 14 -14.673 1.301 0.702 75 H LEU 15 H LEU 15 -8.864 1.664 -1.008 76 HA LEU 15 HA LEU 15 -6.845 2.095 0.974 77 HB2 LEU 15 1HB LEU 15 -6.592 0.791 -1.174 78 HB3 LEU 15 2HB LEU 15 -6.541 2.341 -2.010 79 HG LEU 15 HG LEU 15 -4.509 2.935 -0.768 80 HD11 LEU 15 1HD1 LEU 15 -3.356 1.014 0.436 81 HD12 LEU 15 2HD1 LEU 15 -4.937 0.235 0.474 82 HD13 LEU 15 3HD1 LEU 15 -4.702 1.791 1.271 83 HD21 LEU 15 3HD2 LEU 15 -3.466 2.066 -2.522 84 HD22 LEU 15 1HD2 LEU 15 -4.780 0.914 -2.761 85 HD23 LEU 15 2HD2 LEU 15 -3.426 0.500 -1.710 86 H HIS 16 H HIS 16 -6.411 3.990 1.869 87 HA HIS 16 HA HIS 16 -5.856 6.315 0.353 88 HB2 HIS 16 1HB HIS 16 -7.681 7.749 1.295 89 HB3 HIS 16 2HB HIS 16 -8.240 6.546 0.136 90 HD1 HIS 16 1HD HIS 16 -10.155 5.158 0.875 91 HD2 HIS 16 2HD HIS 16 -8.135 6.854 4.085 92 HE1 HIS 16 1HE HIS 16 -11.497 4.547 2.912 93 HE2 HIS 16 2HE HIS 16 -10.303 5.656 4.832 94 H VAL 17 H VAL 17 -5.909 8.317 2.040 95 HA VAL 17 HA VAL 17 -4.421 7.333 4.379 96 HB VAL 17 HB VAL 17 -3.107 8.759 2.903 97 HG11 VAL 17 1HG1 VAL 17 -4.015 10.475 1.830 98 HG12 VAL 17 2HG1 VAL 17 -5.523 10.234 2.713 99 HG13 VAL 17 3HG1 VAL 17 -4.280 11.303 3.364 100 HG21 VAL 17 3HG2 VAL 17 -3.289 8.978 5.606 101 HG22 VAL 17 1HG2 VAL 17 -2.067 9.775 4.616 102 HG23 VAL 17 2HG2 VAL 17 -3.515 10.654 5.107 103 H THR 18 H THR 18 -5.032 7.850 6.407 104 HA THR 18 HA THR 18 -7.539 9.349 6.697 105 HB THR 18 HB THR 18 -7.490 7.046 7.609 106 HG1 THR 18 1HG THR 18 -7.624 8.758 9.840 107 HG21 THR 18 3HG2 THR 18 -4.986 7.905 8.654 108 HG22 THR 18 1HG2 THR 18 -5.726 6.307 8.750 109 HG23 THR 18 2HG2 THR 18 -6.040 7.502 10.009 110 H GLY 19 H GLY 19 -4.246 9.770 7.039 111 HA2 GLY 19 1HA GLY 19 -4.476 12.329 8.185 112 HA3 GLY 19 2HA GLY 19 -4.005 11.195 9.442 113 H LEU 20 H LEU 20 -3.085 12.456 6.269 114 HA LEU 20 HA LEU 20 -0.489 11.295 6.272 115 HB2 LEU 20 1HB LEU 20 -0.200 12.295 4.252 116 HB3 LEU 20 2HB LEU 20 -1.960 12.330 4.345 117 HG LEU 20 HG LEU 20 -0.077 14.626 4.882 118 HD11 LEU 20 1HD1 LEU 20 -2.098 15.070 2.897 119 HD12 LEU 20 2HD1 LEU 20 -1.160 13.631 2.496 120 HD13 LEU 20 3HD1 LEU 20 -0.343 15.173 2.751 121 HD21 LEU 20 3HD2 LEU 20 -2.451 14.247 6.140 122 HD22 LEU 20 1HD2 LEU 20 -2.965 15.120 4.696 123 HD23 LEU 20 2HD2 LEU 20 -1.756 15.826 5.769 124 H THR 21 H THR 21 1.482 12.816 6.021 125 HA THR 21 HA THR 21 1.391 15.086 7.855 126 HB THR 21 HB THR 21 3.444 12.904 8.229 127 HG1 THR 21 1HG THR 21 2.062 11.940 9.502 128 HG21 THR 21 3HG2 THR 21 2.887 15.540 9.479 129 HG22 THR 21 1HG2 THR 21 4.427 14.745 9.159 130 HG23 THR 21 2HG2 THR 21 3.441 14.237 10.530 131 H THR 22 H THR 22 3.351 16.400 7.779 132 HA THR 22 HA THR 22 4.170 17.016 5.207 133 HB THR 22 HB THR 22 6.086 18.244 6.312 134 HG1 THR 22 1HG THR 22 5.526 16.583 8.289 135 HG21 THR 22 3HG2 THR 22 3.876 19.272 5.910 136 HG22 THR 22 1HG2 THR 22 4.651 19.897 7.365 137 HG23 THR 22 2HG2 THR 22 3.348 18.715 7.498 138 H SER 23 H SER 23 5.624 14.837 7.555 139 HA SER 23 HA SER 23 7.684 14.132 5.572 140 HB2 SER 23 1HB SER 23 8.985 13.234 7.459 141 HB3 SER 23 2HB SER 23 8.590 14.934 7.711 142 HG SER 23 HG SER 23 7.105 14.377 9.217 143 H THR 24 H THR 24 5.353 12.796 7.872 144 HA THR 24 HA THR 24 5.683 10.148 6.649 145 HB THR 24 HB THR 24 4.590 9.212 8.561 146 HG1 THR 24 1HG THR 24 3.260 10.352 9.756 147 HG21 THR 24 3HG2 THR 24 6.911 9.683 8.956 148 HG22 THR 24 1HG2 THR 24 6.018 10.064 10.428 149 HG23 THR 24 2HG2 THR 24 6.552 11.362 9.359 150 H THR 25 H THR 25 3.610 8.856 6.466 151 HA THR 25 HA THR 25 1.259 10.466 5.838 152 HB THR 25 HB THR 25 2.821 8.893 3.821 153 HG1 THR 25 1HG THR 25 2.706 11.325 4.109 154 HG21 THR 25 3HG2 THR 25 0.837 8.840 2.364 155 HG22 THR 25 1HG2 THR 25 -0.148 9.439 3.697 156 HG23 THR 25 2HG2 THR 25 0.617 7.854 3.809 157 H GLU 26 H GLU 26 -0.334 9.524 6.924 158 HA GLU 26 HA GLU 26 -0.224 6.777 7.729 159 HB2 GLU 26 1HB GLU 26 -2.260 8.969 8.039 160 HB3 GLU 26 2HB GLU 26 -2.616 7.318 8.528 161 HG2 GLU 26 1HG GLU 26 -0.423 7.500 9.883 162 HG3 GLU 26 2HG GLU 26 -0.633 9.237 9.669 163 H LEU 27 H LEU 27 -2.059 5.271 7.343 164 HA LEU 27 HA LEU 27 -3.444 5.641 4.804 165 HB2 LEU 27 1HB LEU 27 -1.751 3.210 5.354 166 HB3 LEU 27 2HB LEU 27 -2.709 3.523 3.908 167 HG LEU 27 HG LEU 27 -0.295 5.120 4.760 168 HD11 LEU 27 1HD1 LEU 27 -0.625 2.875 2.788 169 HD12 LEU 27 2HD1 LEU 27 0.493 2.979 4.148 170 HD13 LEU 27 3HD1 LEU 27 0.725 4.010 2.736 171 HD21 LEU 27 3HD2 LEU 27 -2.210 6.137 3.314 172 HD22 LEU 27 1HD2 LEU 27 -1.520 5.135 2.037 173 HD23 LEU 27 2HD2 LEU 27 -0.528 6.359 2.831 174 H ALA 28 H ALA 28 -5.075 3.930 4.421 175 HA ALA 28 HA ALA 28 -5.827 2.170 6.536 176 HB1 ALA 28 3HB ALA 28 -8.098 3.402 6.834 177 HB2 ALA 28 1HB ALA 28 -6.687 3.935 7.748 178 HB3 ALA 28 2HB ALA 28 -7.190 4.819 6.306 179 H TRP 29 H TRP 29 -6.290 0.515 5.222 180 HA TRP 29 HA TRP 29 -8.312 0.960 3.128 181 HB2 TRP 29 1HB TRP 29 -7.189 -0.705 1.727 182 HB3 TRP 29 2HB TRP 29 -6.104 0.631 2.101 183 HD1 TRP 29 HD TRP 29 -6.572 -3.100 2.682 184 HE1 TRP 29 1HE TRP 29 -4.428 -4.057 3.737 185 HE3 TRP 29 3HE TRP 29 -4.109 1.279 3.629 186 HZ2 TRP 29 2HZ TRP 29 -2.013 -3.084 4.827 187 HZ3 TRP 29 3HZ TRP 29 -1.887 1.178 4.680 188 HH2 TRP 29 HH TRP 29 -0.862 -0.959 5.266 189 H ASP 30 H ASP 30 -9.114 -1.360 2.373 190 HA ASP 30 HA ASP 30 -9.720 -2.892 4.817 191 HB2 ASP 30 1HB ASP 30 -11.484 -1.864 2.660 192 HB3 ASP 30 2HB ASP 30 -11.847 -3.471 3.283 193 HA PRO 31 HA PRO 31 -8.372 -6.579 2.864 194 HB2 PRO 31 1HB PRO 31 -10.231 -8.396 3.645 195 HB3 PRO 31 2HB PRO 31 -9.028 -7.718 4.749 196 HG2 PRO 31 1HG PRO 31 -11.897 -6.952 4.371 197 HG3 PRO 31 2HG PRO 31 -10.980 -7.147 5.876 198 HD2 PRO 31 1HD PRO 31 -11.483 -4.722 4.780 199 HD3 PRO 31 2HD PRO 31 -10.002 -5.067 5.697 200 HA PRO 32 HA PRO 32 -10.378 -7.283 -0.987 201 HB2 PRO 32 1HB PRO 32 -9.703 -9.863 -1.493 202 HB3 PRO 32 2HB PRO 32 -8.546 -8.531 -1.589 203 HG2 PRO 32 1HG PRO 32 -8.994 -10.496 0.625 204 HG3 PRO 32 2HG PRO 32 -7.466 -9.897 -0.047 205 HD2 PRO 32 1HD PRO 32 -8.514 -8.947 2.262 206 HD3 PRO 32 2HD PRO 32 -7.560 -7.935 1.159 207 H VAL 33 H VAL 33 -12.278 -8.022 -1.846 208 HA VAL 33 HA VAL 33 -14.299 -8.935 -0.146 209 HB VAL 33 HB VAL 33 -15.576 -9.419 -2.260 210 HG11 VAL 33 1HG1 VAL 33 -14.554 -6.746 -2.795 211 HG12 VAL 33 2HG1 VAL 33 -16.163 -7.264 -2.289 212 HG13 VAL 33 3HG1 VAL 33 -14.894 -7.025 -1.087 213 HG21 VAL 33 3HG2 VAL 33 -13.063 -9.622 -3.382 214 HG22 VAL 33 1HG2 VAL 33 -14.590 -9.529 -4.260 215 HG23 VAL 33 2HG2 VAL 33 -13.650 -8.065 -3.967 216 H LEU 34 H LEU 34 -14.994 -10.898 0.457 217 HA LEU 34 HA LEU 34 -13.426 -13.165 0.273 218 HB2 LEU 34 1HB LEU 34 -15.263 -14.386 1.167 219 HB3 LEU 34 2HB LEU 34 -15.275 -12.777 1.888 220 HG LEU 34 HG LEU 34 -17.001 -13.281 -0.488 221 HD11 LEU 34 1HD1 LEU 34 -18.378 -14.725 0.490 222 HD12 LEU 34 2HD1 LEU 34 -18.387 -13.805 1.995 223 HD13 LEU 34 3HD1 LEU 34 -17.117 -14.991 1.694 224 HD21 LEU 34 3HD2 LEU 34 -16.666 -11.288 1.565 225 HD22 LEU 34 1HD2 LEU 34 -18.326 -11.884 1.534 226 HD23 LEU 34 2HD2 LEU 34 -17.602 -11.216 0.071 227 H ALA 35 H ALA 35 -15.475 -11.803 -2.090 228 HA ALA 35 HA ALA 35 -16.194 -14.116 -3.540 229 HB1 ALA 35 3HB ALA 35 -16.721 -11.414 -3.737 230 HB2 ALA 35 1HB ALA 35 -15.797 -11.765 -5.198 231 HB3 ALA 35 2HB ALA 35 -17.272 -12.668 -4.849 232 H GLU 36 H GLU 36 -13.474 -11.854 -3.891 233 HA GLU 36 HA GLU 36 -12.296 -13.488 -5.979 234 HB2 GLU 36 1HB GLU 36 -11.574 -10.866 -4.703 235 HB3 GLU 36 2HB GLU 36 -10.421 -11.718 -5.721 236 HG2 GLU 36 1HG GLU 36 -13.183 -11.109 -6.695 237 HG3 GLU 36 2HG GLU 36 -11.896 -9.908 -6.779 238 H ARG 37 H ARG 37 -11.754 -12.712 -2.592 239 HA ARG 37 HA ARG 37 -9.288 -13.535 -1.994 240 HB2 ARG 37 1HB ARG 37 -11.858 -14.263 -0.599 241 HB3 ARG 37 2HB ARG 37 -10.284 -14.681 0.066 242 HG2 ARG 37 1HG ARG 37 -9.701 -12.248 -0.022 243 HG3 ARG 37 2HG ARG 37 -11.383 -11.931 -0.450 244 HD2 ARG 37 1HD ARG 37 -11.329 -11.633 1.862 245 HD3 ARG 37 2HD ARG 37 -11.965 -13.265 1.661 246 HE ARG 37 HE ARG 37 -9.229 -13.528 1.917 247 HH11 ARG 37 1HH1 ARG 37 -11.865 -12.297 3.830 248 HH12 ARG 37 2HH1 ARG 37 -11.113 -12.672 5.345 249 HH21 ARG 37 1HH2 ARG 37 -8.228 -14.027 3.906 250 HH22 ARG 37 2HH2 ARG 37 -9.044 -13.655 5.387 251 H ASN 38 H ASN 38 -8.130 -15.097 -2.922 252 HA ASN 38 HA ASN 38 -9.366 -17.645 -3.596 253 HB2 ASN 38 1HB ASN 38 -6.755 -16.324 -4.259 254 HB3 ASN 38 2HB ASN 38 -6.938 -18.062 -4.474 255 HD21 ASN 38 1HD2 ASN 38 -6.376 -16.753 -6.665 256 HD22 ASN 38 2HD2 ASN 38 -7.757 -16.559 -7.685 257 H GLY 39 H GLY 39 -8.928 -16.874 -0.789 258 HA2 GLY 39 1HA GLY 39 -8.369 -19.191 0.439 259 HA3 GLY 39 2HA GLY 39 -6.756 -18.571 0.123 260 H ARG 40 H ARG 40 -5.883 -17.517 1.764 261 HA ARG 40 HA ARG 40 -7.622 -15.878 3.476 262 HB2 ARG 40 1HB ARG 40 -5.688 -18.013 4.292 263 HB3 ARG 40 2HB ARG 40 -5.956 -16.636 5.352 264 HG2 ARG 40 1HG ARG 40 -8.446 -17.198 5.135 265 HG3 ARG 40 2HG ARG 40 -7.897 -18.748 4.494 266 HD2 ARG 40 1HD ARG 40 -6.764 -19.279 6.508 267 HD3 ARG 40 2HD ARG 40 -6.940 -17.635 7.120 268 HE ARG 40 HE ARG 40 -9.455 -18.908 6.628 269 HH11 ARG 40 1HH1 ARG 40 -6.846 -18.584 8.910 270 HH12 ARG 40 2HH1 ARG 40 -7.823 -18.988 10.283 271 HH21 ARG 40 1HH2 ARG 40 -10.751 -19.441 8.427 272 HH22 ARG 40 2HH2 ARG 40 -10.044 -19.477 10.007 273 H ILE 41 H ILE 41 -6.278 -14.376 4.884 274 HA ILE 41 HA ILE 41 -4.035 -13.332 3.282 275 HB ILE 41 HB ILE 41 -5.766 -11.744 5.175 276 HG12 ILE 41 1HG1 ILE 41 -7.234 -12.416 3.433 277 HG13 ILE 41 2HG1 ILE 41 -6.715 -10.786 3.017 278 HG21 ILE 41 1HG2 ILE 41 -3.316 -11.211 3.817 279 HG22 ILE 41 2HG2 ILE 41 -4.574 -10.165 3.162 280 HG23 ILE 41 3HG2 ILE 41 -4.238 -10.161 4.893 281 HD11 ILE 41 3HD1 ILE 41 -5.016 -11.804 1.503 282 HD12 ILE 41 1HD1 ILE 41 -5.758 -13.371 1.821 283 HD13 ILE 41 2HD1 ILE 41 -6.692 -12.095 1.037 284 H ILE 42 H ILE 42 -2.167 -12.650 4.310 285 HA ILE 42 HA ILE 42 -1.942 -13.364 7.161 286 HB ILE 42 HB ILE 42 0.509 -13.829 6.610 287 HG12 ILE 42 1HG1 ILE 42 -0.669 -13.942 3.825 288 HG13 ILE 42 2HG1 ILE 42 0.568 -12.825 4.391 289 HG21 ILE 42 1HG2 ILE 42 -1.018 -15.597 7.197 290 HG22 ILE 42 2HG2 ILE 42 -1.662 -15.634 5.556 291 HG23 ILE 42 3HG2 ILE 42 0.001 -16.134 5.862 292 HD11 ILE 42 3HD1 ILE 42 0.801 -15.780 3.937 293 HD12 ILE 42 1HD1 ILE 42 1.688 -14.474 3.151 294 HD13 ILE 42 2HD1 ILE 42 1.999 -14.857 4.845 295 H SER 43 H SER 43 -0.921 -11.222 4.568 296 HA SER 43 HA SER 43 -0.632 -9.015 6.333 297 HB2 SER 43 1HB SER 43 1.550 -10.512 6.534 298 HB3 SER 43 2HB SER 43 1.985 -9.669 5.047 299 HG SER 43 HG SER 43 2.731 -8.490 6.802 300 H TYR 44 H TYR 44 0.438 -7.110 5.104 301 HA TYR 44 HA TYR 44 -0.182 -7.299 2.235 302 HB2 TYR 44 1HB TYR 44 -1.015 -5.082 4.116 303 HB3 TYR 44 2HB TYR 44 -1.180 -5.023 2.365 304 HD1 TYR 44 2HD TYR 44 -2.157 -7.141 5.281 305 HD2 TYR 44 1HD TYR 44 -3.175 -5.706 1.407 306 HE1 TYR 44 2HE TYR 44 -4.351 -8.238 5.458 307 HE2 TYR 44 1HE TYR 44 -5.372 -6.798 1.574 308 HH TYR 44 HH TYR 44 -6.112 -9.086 3.964 309 H THR 45 H THR 45 0.855 -5.678 0.910 310 HA THR 45 HA THR 45 3.341 -4.657 2.123 311 HB THR 45 HB THR 45 2.912 -5.556 -0.733 312 HG1 THR 45 1HG THR 45 3.310 -7.036 1.331 313 HG21 THR 45 3HG2 THR 45 5.341 -5.235 -0.957 314 HG22 THR 45 1HG2 THR 45 5.398 -4.575 0.677 315 HG23 THR 45 2HG2 THR 45 4.513 -3.722 -0.589 316 H VAL 46 H VAL 46 3.381 -2.521 2.273 317 HA VAL 46 HA VAL 46 1.699 -0.914 0.502 318 HB VAL 46 HB VAL 46 3.233 -0.121 2.981 319 HG11 VAL 46 1HG1 VAL 46 1.845 1.957 2.824 320 HG12 VAL 46 2HG1 VAL 46 3.064 1.788 1.560 321 HG13 VAL 46 3HG1 VAL 46 1.371 1.445 1.205 322 HG21 VAL 46 3HG2 VAL 46 0.315 0.055 2.989 323 HG22 VAL 46 1HG2 VAL 46 0.931 -1.590 2.830 324 HG23 VAL 46 2HG2 VAL 46 1.416 -0.596 4.204 325 H VAL 47 H VAL 47 2.756 -0.651 -1.401 326 HA VAL 47 HA VAL 47 5.580 0.072 -1.410 327 HB VAL 47 HB VAL 47 3.741 -0.271 -3.780 328 HG11 VAL 47 1HG1 VAL 47 5.484 0.317 -5.023 329 HG12 VAL 47 2HG1 VAL 47 6.374 0.702 -3.549 330 HG13 VAL 47 3HG1 VAL 47 6.488 -0.911 -4.254 331 HG21 VAL 47 3HG2 VAL 47 3.666 -2.413 -3.060 332 HG22 VAL 47 1HG2 VAL 47 5.263 -2.489 -3.804 333 HG23 VAL 47 2HG2 VAL 47 5.111 -2.244 -2.064 334 H PHE 48 H PHE 48 6.033 2.144 -1.047 335 HA PHE 48 HA PHE 48 4.324 4.189 -2.304 336 HB2 PHE 48 1HB PHE 48 5.145 5.723 -0.514 337 HB3 PHE 48 2HB PHE 48 4.202 4.369 0.099 338 HD1 PHE 48 2HD PHE 48 5.579 2.289 0.858 339 HD2 PHE 48 1HD PHE 48 7.178 6.212 0.448 340 HE1 PHE 48 2HE PHE 48 7.421 1.693 2.376 341 HE2 PHE 48 1HE PHE 48 9.024 5.622 1.964 342 HZ PHE 48 HZ PHE 48 9.146 3.361 2.932 343 H ARG 49 H ARG 49 5.225 5.515 -3.749 344 HA ARG 49 HA ARG 49 8.097 5.986 -3.732 345 HB2 ARG 49 1HB ARG 49 8.068 4.086 -5.148 346 HB3 ARG 49 2HB ARG 49 6.626 4.640 -5.989 347 HG2 ARG 49 1HG ARG 49 8.031 6.587 -6.808 348 HG3 ARG 49 2HG ARG 49 9.428 5.689 -6.212 349 HD2 ARG 49 1HD ARG 49 9.068 5.284 -8.591 350 HD3 ARG 49 2HD ARG 49 8.842 3.809 -7.652 351 HE ARG 49 HE ARG 49 6.411 5.266 -8.158 352 HH11 ARG 49 1HH1 ARG 49 8.623 2.856 -9.349 353 HH12 ARG 49 2HH1 ARG 49 7.444 2.084 -10.356 354 HH21 ARG 49 1HH2 ARG 49 4.849 4.258 -9.480 355 HH22 ARG 49 2HH2 ARG 49 5.298 2.883 -10.431 356 H ASP 50 H ASP 50 8.667 7.949 -4.554 357 HA ASP 50 HA ASP 50 6.575 9.864 -4.941 358 HB2 ASP 50 1HB ASP 50 8.544 10.605 -3.803 359 HB3 ASP 50 2HB ASP 50 9.584 10.055 -5.115 360 H ILE 51 H ILE 51 5.493 10.068 -6.779 361 HA ILE 51 HA ILE 51 6.250 8.978 -9.241 362 HB ILE 51 HB ILE 51 4.460 10.361 -10.228 363 HG12 ILE 51 1HG1 ILE 51 4.021 11.479 -7.460 364 HG13 ILE 51 2HG1 ILE 51 4.950 12.336 -8.686 365 HG21 ILE 51 1HG2 ILE 51 3.885 8.908 -7.661 366 HG22 ILE 51 2HG2 ILE 51 2.610 9.507 -8.720 367 HG23 ILE 51 3HG2 ILE 51 3.757 8.305 -9.313 368 HD11 ILE 51 3HD1 ILE 51 2.653 13.126 -8.577 369 HD12 ILE 51 1HD1 ILE 51 3.002 12.386 -10.139 370 HD13 ILE 51 2HD1 ILE 51 2.070 11.500 -8.932 371 H ASN 52 H ASN 52 7.265 11.842 -7.694 372 HA ASN 52 HA ASN 52 8.117 13.109 -10.182 373 HB2 ASN 52 1HB ASN 52 8.344 14.048 -7.313 374 HB3 ASN 52 2HB ASN 52 8.804 14.988 -8.730 375 HD21 ASN 52 1HD2 ASN 52 6.184 13.732 -6.846 376 HD22 ASN 52 2HD2 ASN 52 4.929 14.650 -7.601 377 H SER 53 H SER 53 9.277 10.789 -8.163 378 HA SER 53 HA SER 53 12.042 11.350 -8.971 379 HB2 SER 53 1HB SER 53 11.009 10.950 -6.208 380 HB3 SER 53 2HB SER 53 12.547 10.189 -6.612 381 HG SER 53 HG SER 53 11.945 12.833 -6.232 382 H GLN 54 H GLN 54 13.414 9.275 -8.334 383 HA GLN 54 HA GLN 54 11.902 6.960 -9.346 384 HB2 GLN 54 1HB GLN 54 13.785 7.965 -10.765 385 HB3 GLN 54 2HB GLN 54 14.885 7.308 -9.560 386 HG2 GLN 54 1HG GLN 54 14.075 5.066 -10.008 387 HG3 GLN 54 2HG GLN 54 12.918 5.703 -11.176 388 HE21 GLN 54 1HE2 GLN 54 16.270 5.053 -10.518 389 HE22 GLN 54 2HE2 GLN 54 16.830 5.213 -12.144 390 H GLN 55 H GLN 55 12.093 7.716 -6.563 391 HA GLN 55 HA GLN 55 13.852 5.647 -5.457 392 HB2 GLN 55 1HB GLN 55 14.149 7.791 -4.420 393 HB3 GLN 55 2HB GLN 55 12.417 7.972 -4.173 394 HG2 GLN 55 1HG GLN 55 13.500 7.421 -2.093 395 HG3 GLN 55 2HG GLN 55 12.454 6.096 -2.600 396 HE21 GLN 55 1HE2 GLN 55 13.341 4.142 -3.148 397 HE22 GLN 55 2HE2 GLN 55 15.003 3.752 -2.886 398 H GLU 56 H GLU 56 12.794 3.740 -5.618 399 HA GLU 56 HA GLU 56 9.980 3.570 -4.894 400 HB2 GLU 56 1HB GLU 56 10.862 2.364 -6.883 401 HB3 GLU 56 2HB GLU 56 11.856 1.386 -5.813 402 HG2 GLU 56 1HG GLU 56 9.648 0.761 -4.666 403 HG3 GLU 56 2HG GLU 56 8.880 1.403 -6.116 404 H LEU 57 H LEU 57 9.181 2.558 -3.109 405 HA LEU 57 HA LEU 57 10.902 1.039 -1.354 406 HB2 LEU 57 1HB LEU 57 9.598 3.548 -0.316 407 HB3 LEU 57 2HB LEU 57 10.627 2.433 0.580 408 HG LEU 57 HG LEU 57 11.632 4.032 -1.763 409 HD11 LEU 57 1HD1 LEU 57 10.665 5.385 0.220 410 HD12 LEU 57 2HD1 LEU 57 12.273 5.776 -0.387 411 HD13 LEU 57 3HD1 LEU 57 12.095 4.820 1.084 412 HD21 LEU 57 3HD2 LEU 57 13.127 2.848 0.566 413 HD22 LEU 57 1HD2 LEU 57 13.787 3.495 -0.936 414 HD23 LEU 57 2HD2 LEU 57 12.867 1.990 -0.954 415 H GLN 58 H GLN 58 9.762 -0.172 0.195 416 HA GLN 58 HA GLN 58 6.845 0.036 0.180 417 HB2 GLN 58 1HB GLN 58 8.176 -2.637 -0.193 418 HB3 GLN 58 2HB GLN 58 6.477 -2.228 -0.386 419 HG2 GLN 58 1HG GLN 58 7.043 -2.310 -2.567 420 HG3 GLN 58 2HG GLN 58 7.481 -0.631 -2.256 421 HE21 GLN 58 1HE2 GLN 58 8.792 -3.908 -2.323 422 HE22 GLN 58 2HE2 GLN 58 10.386 -3.452 -2.810 423 H ASN 59 H ASN 59 5.921 -1.643 1.798 424 HA ASN 59 HA ASN 59 7.706 -2.201 4.024 425 HB2 ASN 59 1HB ASN 59 5.442 -0.227 4.141 426 HB3 ASN 59 2HB ASN 59 5.934 -1.115 5.580 427 HD21 ASN 59 1HD2 ASN 59 8.587 -1.195 5.468 428 HD22 ASN 59 2HD2 ASN 59 9.264 0.395 5.470 429 H ILE 60 H ILE 60 6.468 -3.350 5.818 430 HA ILE 60 HA ILE 60 4.213 -4.898 4.744 431 HB ILE 60 HB ILE 60 6.530 -6.126 6.241 432 HG12 ILE 60 1HG1 ILE 60 5.808 -6.494 3.331 433 HG13 ILE 60 2HG1 ILE 60 7.043 -5.369 3.885 434 HG21 ILE 60 1HG2 ILE 60 5.458 -8.170 6.063 435 HG22 ILE 60 2HG2 ILE 60 4.124 -7.069 6.402 436 HG23 ILE 60 3HG2 ILE 60 4.412 -7.623 4.753 437 HD11 ILE 60 3HD1 ILE 60 7.145 -8.276 4.590 438 HD12 ILE 60 1HD1 ILE 60 7.789 -7.665 3.067 439 HD13 ILE 60 2HD1 ILE 60 8.447 -7.086 4.598 440 H THR 61 H THR 61 2.607 -5.297 6.162 441 HA THR 61 HA THR 61 3.062 -5.086 9.022 442 HB THR 61 HB THR 61 2.627 -2.761 8.449 443 HG1 THR 61 1HG THR 61 1.026 -2.469 9.946 444 HG21 THR 61 3HG2 THR 61 -0.141 -3.355 7.542 445 HG22 THR 61 1HG2 THR 61 1.171 -3.593 6.389 446 HG23 THR 61 2HG2 THR 61 0.920 -2.010 7.125 447 H THR 62 H THR 62 1.573 -6.196 10.234 448 HA THR 62 HA THR 62 -0.138 -8.017 8.780 449 HB THR 62 HB THR 62 -0.578 -9.041 10.982 450 HG1 THR 62 1HG THR 62 1.074 -6.915 11.921 451 HG21 THR 62 3HG2 THR 62 1.722 -9.162 9.532 452 HG22 THR 62 1HG2 THR 62 1.368 -10.179 10.928 453 HG23 THR 62 2HG2 THR 62 2.340 -8.720 11.123 454 H ASP 63 H ASP 63 -0.742 -5.065 9.039 455 HA ASP 63 HA ASP 63 -3.491 -5.380 10.047 456 HB2 ASP 63 1HB ASP 63 -1.492 -3.240 10.604 457 HB3 ASP 63 2HB ASP 63 -3.181 -2.767 10.443 458 H THR 64 H THR 64 -5.043 -3.855 9.081 459 HA THR 64 HA THR 64 -4.642 -3.717 6.226 460 HB THR 64 HB THR 64 -7.024 -2.541 6.500 461 HG1 THR 64 1HG THR 64 -6.804 -2.587 8.842 462 HG21 THR 64 3HG2 THR 64 -7.296 -5.386 7.076 463 HG22 THR 64 1HG2 THR 64 -6.116 -5.050 5.811 464 HG23 THR 64 2HG2 THR 64 -7.774 -4.472 5.646 465 H ARG 65 H ARG 65 -3.215 -1.901 8.232 466 HA ARG 65 HA ARG 65 -3.573 0.536 6.672 467 HB2 ARG 65 1HB ARG 65 -3.793 1.970 8.589 468 HB3 ARG 65 2HB ARG 65 -5.047 0.740 8.674 469 HG2 ARG 65 1HG ARG 65 -4.339 0.693 10.828 470 HG3 ARG 65 2HG ARG 65 -3.229 -0.496 10.143 471 HD2 ARG 65 1HD ARG 65 -1.481 1.128 9.983 472 HD3 ARG 65 2HD ARG 65 -2.584 2.433 10.419 473 HE ARG 65 HE ARG 65 -2.308 0.353 12.405 474 HH11 ARG 65 1HH1 ARG 65 -1.156 3.421 11.231 475 HH12 ARG 65 2HH1 ARG 65 -0.473 3.894 12.752 476 HH21 ARG 65 1HH2 ARG 65 -1.413 0.964 14.412 477 HH22 ARG 65 2HH2 ARG 65 -0.619 2.496 14.560 478 H PHE 66 H PHE 66 -1.815 2.106 7.050 479 HA PHE 66 HA PHE 66 0.538 1.271 8.451 480 HB2 PHE 66 1HB PHE 66 0.593 -0.132 6.358 481 HB3 PHE 66 2HB PHE 66 0.724 1.362 5.437 482 HD1 PHE 66 1HD PHE 66 2.422 -0.875 7.796 483 HD2 PHE 66 2HD PHE 66 2.768 2.605 5.370 484 HE1 PHE 66 1HE PHE 66 4.864 -0.915 8.093 485 HE2 PHE 66 2HE PHE 66 5.210 2.570 5.662 486 HZ PHE 66 HZ PHE 66 6.262 0.808 7.024 487 H THR 67 H THR 67 2.171 2.881 8.491 488 HA THR 67 HA THR 67 1.339 5.482 7.382 489 HB THR 67 HB THR 67 2.700 5.060 10.049 490 HG1 THR 67 1HG THR 67 0.591 5.824 10.821 491 HG21 THR 67 3HG2 THR 67 3.273 7.207 9.739 492 HG22 THR 67 1HG2 THR 67 1.571 7.564 10.028 493 HG23 THR 67 2HG2 THR 67 2.170 7.398 8.378 494 H LEU 68 H LEU 68 2.731 5.952 5.805 495 HA LEU 68 HA LEU 68 5.343 4.923 5.587 496 HB2 LEU 68 1HB LEU 68 3.973 7.255 4.273 497 HB3 LEU 68 2HB LEU 68 5.616 6.762 3.869 498 HG LEU 68 HG LEU 68 4.448 5.716 2.207 499 HD11 LEU 68 1HD1 LEU 68 4.375 3.383 2.642 500 HD12 LEU 68 2HD1 LEU 68 4.131 3.646 4.368 501 HD13 LEU 68 3HD1 LEU 68 5.678 4.051 3.625 502 HD21 LEU 68 3HD2 LEU 68 2.203 4.723 3.875 503 HD22 LEU 68 1HD2 LEU 68 2.222 5.241 2.189 504 HD23 LEU 68 2HD2 LEU 68 2.239 6.442 3.481 505 H THR 69 H THR 69 7.240 6.565 5.216 506 HA THR 69 HA THR 69 7.301 8.809 7.014 507 HB THR 69 HB THR 69 9.011 8.015 8.514 508 HG1 THR 69 1HG THR 69 10.193 6.558 7.390 509 HG21 THR 69 3HG2 THR 69 7.782 6.319 9.762 510 HG22 THR 69 1HG2 THR 69 6.792 5.972 8.345 511 HG23 THR 69 2HG2 THR 69 6.678 7.544 9.137 512 H GLY 70 H GLY 70 9.687 9.622 7.186 513 HA2 GLY 70 1HA GLY 70 11.444 10.548 6.033 514 HA3 GLY 70 2HA GLY 70 11.647 8.943 5.346 515 H LEU 71 H LEU 71 8.926 11.173 4.946 516 HA LEU 71 HA LEU 71 9.445 11.132 2.051 517 HB2 LEU 71 1HB LEU 71 6.840 11.915 3.305 518 HB3 LEU 71 2HB LEU 71 7.151 11.348 1.665 519 HG LEU 71 HG LEU 71 7.414 9.591 4.099 520 HD11 LEU 71 1HD1 LEU 71 5.183 9.782 4.242 521 HD12 LEU 71 2HD1 LEU 71 5.180 8.727 2.829 522 HD13 LEU 71 3HD1 LEU 71 5.033 10.472 2.627 523 HD21 LEU 71 3HD2 LEU 71 8.499 8.398 2.517 524 HD22 LEU 71 1HD2 LEU 71 7.723 9.253 1.183 525 HD23 LEU 71 2HD2 LEU 71 6.858 7.970 2.030 526 H LYS 72 H LYS 72 8.811 13.099 0.852 527 HA LYS 72 HA LYS 72 9.729 15.467 2.295 528 HB2 LYS 72 1HB LYS 72 10.598 14.627 -0.021 529 HB3 LYS 72 2HB LYS 72 9.148 15.402 -0.647 530 HG2 LYS 72 1HG LYS 72 9.848 17.533 0.182 531 HG3 LYS 72 2HG LYS 72 11.210 16.805 1.037 532 HD2 LYS 72 1HD LYS 72 12.306 17.519 -0.827 533 HD3 LYS 72 2HD LYS 72 11.781 15.938 -1.411 534 HE2 LYS 72 1HE LYS 72 9.661 17.239 -2.186 535 HE3 LYS 72 2HE LYS 72 10.704 18.654 -2.051 536 HZ1 LYS 72 3HZ LYS 72 11.628 18.148 -3.982 537 HZ2 LYS 72 1HZ LYS 72 10.553 16.853 -4.158 538 HZ3 LYS 72 2HZ LYS 72 12.061 16.608 -3.434 539 HA PRO 73 HA PRO 73 5.668 17.154 2.628 540 HB2 PRO 73 1HB PRO 73 6.349 19.755 3.005 541 HB3 PRO 73 2HB PRO 73 6.540 18.521 4.256 542 HG2 PRO 73 1HG PRO 73 8.586 19.658 2.389 543 HG3 PRO 73 2HG PRO 73 8.726 19.303 4.121 544 HD2 PRO 73 1HD PRO 73 9.714 17.657 2.212 545 HD3 PRO 73 2HD PRO 73 9.086 17.056 3.760 546 H ASP 74 H ASP 74 4.158 18.046 1.309 547 HA ASP 74 HA ASP 74 3.202 18.916 -0.563 548 HB2 ASP 74 1HB ASP 74 4.388 20.971 0.222 549 HB3 ASP 74 2HB ASP 74 5.746 20.533 -0.811 550 H THR 75 H THR 75 4.347 16.481 -0.924 551 HA THR 75 HA THR 75 5.133 16.619 -3.732 552 HB THR 75 HB THR 75 6.737 15.136 -1.643 553 HG1 THR 75 1HG THR 75 7.670 17.064 -1.734 554 HG21 THR 75 3HG2 THR 75 6.245 14.020 -3.969 555 HG22 THR 75 1HG2 THR 75 7.873 13.999 -3.294 556 HG23 THR 75 2HG2 THR 75 7.451 15.172 -4.541 557 H THR 76 H THR 76 4.062 15.164 -4.904 558 HA THR 76 HA THR 76 2.174 13.417 -3.736 559 HB THR 76 HB THR 76 3.233 13.322 -6.566 560 HG1 THR 76 1HG THR 76 1.236 14.636 -6.886 561 HG21 THR 76 3HG2 THR 76 1.476 11.621 -5.244 562 HG22 THR 76 1HG2 THR 76 1.670 11.781 -6.989 563 HG23 THR 76 2HG2 THR 76 0.429 12.712 -6.151 564 H TYR 77 H TYR 77 2.273 11.320 -3.180 565 HA TYR 77 HA TYR 77 4.695 9.807 -3.895 566 HB2 TYR 77 1HB TYR 77 3.439 10.222 -1.212 567 HB3 TYR 77 2HB TYR 77 4.242 8.693 -1.551 568 HD1 TYR 77 1HD TYR 77 6.677 8.778 -2.327 569 HD2 TYR 77 2HD TYR 77 4.680 12.101 -0.575 570 HE1 TYR 77 1HE TYR 77 8.852 9.797 -1.797 571 HE2 TYR 77 2HE TYR 77 6.849 13.130 -0.040 572 HH TYR 77 HH TYR 77 9.830 11.883 -1.276 573 H ASP 78 H ASP 78 4.000 8.313 -5.284 574 HA ASP 78 HA ASP 78 1.382 7.267 -5.371 575 HB2 ASP 78 1HB ASP 78 2.666 7.196 -7.372 576 HB3 ASP 78 2HB ASP 78 3.985 6.337 -6.580 577 H ILE 79 H ILE 79 0.667 6.336 -3.514 578 HA ILE 79 HA ILE 79 2.250 4.114 -2.409 579 HB ILE 79 HB ILE 79 -0.002 5.616 -1.072 580 HG12 ILE 79 1HG1 ILE 79 2.835 5.829 -0.178 581 HG13 ILE 79 2HG1 ILE 79 2.345 6.753 -1.594 582 HG21 ILE 79 1HG2 ILE 79 0.662 3.156 -0.465 583 HG22 ILE 79 2HG2 ILE 79 2.008 3.944 0.358 584 HG23 ILE 79 3HG2 ILE 79 0.349 4.339 0.805 585 HD11 ILE 79 3HD1 ILE 79 0.984 8.130 -0.392 586 HD12 ILE 79 1HD1 ILE 79 0.674 6.922 0.855 587 HD13 ILE 79 2HD1 ILE 79 2.218 7.773 0.815 588 H LYS 80 H LYS 80 1.451 2.093 -2.391 589 HA LYS 80 HA LYS 80 -1.380 1.680 -3.037 590 HB2 LYS 80 1HB LYS 80 -0.477 -0.327 -4.459 591 HB3 LYS 80 2HB LYS 80 -0.557 1.285 -5.156 592 HG2 LYS 80 1HG LYS 80 1.909 1.420 -4.206 593 HG3 LYS 80 2HG LYS 80 1.800 -0.334 -4.376 594 HD2 LYS 80 1HD LYS 80 1.047 1.532 -6.608 595 HD3 LYS 80 2HD LYS 80 2.709 0.989 -6.365 596 HE2 LYS 80 1HE LYS 80 1.768 -1.376 -6.392 597 HE3 LYS 80 2HE LYS 80 0.278 -0.660 -7.006 598 HZ1 LYS 80 3HZ LYS 80 1.178 -0.309 -9.015 599 HZ2 LYS 80 1HZ LYS 80 2.287 -1.500 -8.553 600 HZ3 LYS 80 2HZ LYS 80 2.689 0.135 -8.397 601 H VAL 81 H VAL 81 -1.606 -0.964 -3.038 602 HA VAL 81 HA VAL 81 -0.140 -2.131 -0.824 603 HB VAL 81 HB VAL 81 -2.250 -0.777 -0.002 604 HG11 VAL 81 1HG1 VAL 81 -3.561 -3.425 -0.503 605 HG12 VAL 81 2HG1 VAL 81 -4.297 -1.887 -0.048 606 HG13 VAL 81 3HG1 VAL 81 -3.669 -2.117 -1.680 607 HG21 VAL 81 3HG2 VAL 81 -2.141 -1.984 1.947 608 HG22 VAL 81 1HG2 VAL 81 -2.080 -3.535 1.110 609 HG23 VAL 81 2HG2 VAL 81 -0.648 -2.507 1.167 610 H ARG 82 H ARG 82 -0.731 -4.419 -0.475 611 HA ARG 82 HA ARG 82 -2.288 -5.735 -2.517 612 HB2 ARG 82 1HB ARG 82 -0.366 -7.177 -3.244 613 HB3 ARG 82 2HB ARG 82 -0.272 -5.504 -3.779 614 HG2 ARG 82 1HG ARG 82 1.522 -5.032 -2.455 615 HG3 ARG 82 2HG ARG 82 1.083 -6.236 -1.241 616 HD2 ARG 82 1HD ARG 82 3.136 -6.734 -2.647 617 HD3 ARG 82 2HD ARG 82 1.920 -8.007 -2.544 618 HE ARG 82 HE ARG 82 1.179 -6.768 -4.781 619 HH11 ARG 82 1HH1 ARG 82 4.320 -7.786 -3.678 620 HH12 ARG 82 2HH1 ARG 82 4.938 -8.055 -5.274 621 HH21 ARG 82 1HH2 ARG 82 1.981 -7.118 -6.888 622 HH22 ARG 82 2HH2 ARG 82 3.607 -7.674 -7.099 623 H ALA 83 H ALA 83 -3.117 -7.604 -1.777 624 HA ALA 83 HA ALA 83 -2.521 -8.380 0.939 625 HB1 ALA 83 3HB ALA 83 -4.502 -9.527 0.919 626 HB2 ALA 83 1HB ALA 83 -4.825 -8.320 -0.326 627 HB3 ALA 83 2HB ALA 83 -4.363 -9.960 -0.785 628 H TRP 84 H TRP 84 -1.535 -10.223 1.630 629 HA TRP 84 HA TRP 84 -0.313 -11.912 -0.453 630 HB2 TRP 84 1HB TRP 84 0.729 -11.078 2.256 631 HB3 TRP 84 2HB TRP 84 1.446 -12.384 1.317 632 HD1 TRP 84 HD TRP 84 0.496 -8.681 0.572 633 HE1 TRP 84 1HE TRP 84 2.431 -7.631 -0.761 634 HE3 TRP 84 3HE TRP 84 3.582 -12.747 0.283 635 HZ2 TRP 84 2HZ TRP 84 4.934 -8.422 -1.799 636 HZ3 TRP 84 3HZ TRP 84 5.728 -12.516 -0.898 637 HH2 TRP 84 HH TRP 84 6.388 -10.398 -1.917 638 H THR 85 H THR 85 -0.328 -14.129 -0.204 639 HA THR 85 HA THR 85 -2.029 -15.155 1.976 640 HB THR 85 HB THR 85 -2.622 -17.021 0.396 641 HG1 THR 85 1HG THR 85 -2.097 -16.815 -1.740 642 HG21 THR 85 3HG2 THR 85 -4.488 -15.845 0.090 643 HG22 THR 85 1HG2 THR 85 -3.698 -14.877 -1.153 644 HG23 THR 85 2HG2 THR 85 -3.622 -14.375 0.536 645 H SER 86 H SER 86 -1.593 -17.358 2.665 646 HA SER 86 HA SER 86 0.949 -17.852 3.485 647 HB2 SER 86 1HB SER 86 -0.967 -20.057 2.704 648 HB3 SER 86 2HB SER 86 0.297 -20.124 3.931 649 HG SER 86 HG SER 86 -1.179 -19.461 5.258 650 H LYS 87 H LYS 87 -0.365 -18.413 0.327 651 HA LYS 87 HA LYS 87 1.755 -20.140 -0.560 652 HB2 LYS 87 1HB LYS 87 -0.285 -18.598 -2.175 653 HB3 LYS 87 2HB LYS 87 0.744 -19.891 -2.778 654 HG2 LYS 87 1HG LYS 87 -1.006 -20.483 -0.456 655 HG3 LYS 87 2HG LYS 87 -1.757 -20.314 -2.044 656 HD2 LYS 87 1HD LYS 87 -0.651 -22.148 -2.908 657 HD3 LYS 87 2HD LYS 87 0.664 -22.037 -1.736 658 HE2 LYS 87 1HE LYS 87 -0.629 -22.991 -0.030 659 HE3 LYS 87 2HE LYS 87 -2.138 -22.707 -0.896 660 HZ1 LYS 87 3HZ LYS 87 -1.889 -24.564 -2.119 661 HZ2 LYS 87 1HZ LYS 87 -0.907 -25.058 -0.832 662 HZ3 LYS 87 2HZ LYS 87 -0.207 -24.417 -2.233 663 H GLY 88 H GLY 88 0.775 -16.856 -1.579 664 HA2 GLY 88 1HA GLY 88 3.461 -15.873 -1.437 665 HA3 GLY 88 2HA GLY 88 2.969 -16.199 -3.093 666 H SER 89 H SER 89 2.884 -14.133 -3.846 667 HA SER 89 HA SER 89 1.040 -12.292 -2.471 668 HB2 SER 89 1HB SER 89 3.341 -11.446 -2.603 669 HB3 SER 89 2HB SER 89 3.323 -11.647 -4.355 670 HG SER 89 HG SER 89 2.752 -9.583 -4.128 671 H GLY 90 H GLY 90 0.072 -10.638 -4.082 672 HA2 GLY 90 1HA GLY 90 -0.723 -12.033 -6.559 673 HA3 GLY 90 2HA GLY 90 -1.926 -11.299 -5.509 674 HA PRO 91 HA PRO 91 -1.184 -8.064 -8.595 675 HB2 PRO 91 1HB PRO 91 -3.583 -6.853 -8.206 676 HB3 PRO 91 2HB PRO 91 -3.381 -8.277 -9.235 677 HG2 PRO 91 1HG PRO 91 -4.357 -8.104 -6.410 678 HG3 PRO 91 2HG PRO 91 -4.989 -9.071 -7.755 679 HD2 PRO 91 1HD PRO 91 -3.402 -10.119 -5.828 680 HD3 PRO 91 2HD PRO 91 -3.380 -10.702 -7.504 681 H LEU 92 H LEU 92 -1.660 -5.589 -8.365 682 HA LEU 92 HA LEU 92 -1.000 -4.749 -5.621 683 HB2 LEU 92 1HB LEU 92 0.334 -4.152 -8.196 684 HB3 LEU 92 2HB LEU 92 0.192 -2.826 -7.044 685 HG LEU 92 HG LEU 92 1.380 -5.455 -6.225 686 HD11 LEU 92 1HD1 LEU 92 3.542 -4.763 -6.880 687 HD12 LEU 92 2HD1 LEU 92 2.972 -3.158 -7.336 688 HD13 LEU 92 3HD1 LEU 92 2.510 -4.563 -8.297 689 HD21 LEU 92 3HD2 LEU 92 1.286 -4.305 -4.299 690 HD22 LEU 92 1HD2 LEU 92 1.093 -2.754 -5.115 691 HD23 LEU 92 2HD2 LEU 92 2.698 -3.461 -4.934 692 H SER 93 H SER 93 -2.526 -3.486 -4.813 693 HA SER 93 HA SER 93 -4.723 -2.490 -6.135 694 HB2 SER 93 1HB SER 93 -5.262 -1.365 -4.170 695 HB3 SER 93 2HB SER 93 -4.154 -2.604 -3.581 696 HG SER 93 HG SER 93 -3.451 0.071 -4.225 697 HA PRO 94 HA PRO 94 -3.494 1.037 -8.438 698 HB2 PRO 94 1HB PRO 94 -5.677 2.630 -8.181 699 HB3 PRO 94 2HB PRO 94 -5.666 1.168 -9.174 700 HG2 PRO 94 1HG PRO 94 -6.720 1.567 -6.401 701 HG3 PRO 94 2HG PRO 94 -7.444 0.683 -7.756 702 HD2 PRO 94 1HD PRO 94 -6.133 -0.561 -5.740 703 HD3 PRO 94 2HD PRO 94 -6.136 -1.181 -7.403 704 H SER 95 H SER 95 -1.933 2.352 -7.733 705 HA SER 95 HA SER 95 -1.588 3.409 -5.225 706 HB2 SER 95 1HB SER 95 -0.368 5.324 -6.664 707 HB3 SER 95 2HB SER 95 0.313 3.711 -6.457 708 HG SER 95 HG SER 95 -0.177 3.221 -8.480 709 H ILE 96 H ILE 96 -1.904 5.485 -4.305 710 HA ILE 96 HA ILE 96 -4.283 6.857 -5.358 711 HB ILE 96 HB ILE 96 -4.343 7.842 -2.980 712 HG12 ILE 96 1HG1 ILE 96 -2.557 5.443 -2.514 713 HG13 ILE 96 2HG1 ILE 96 -2.087 7.128 -2.318 714 HG21 ILE 96 1HG2 ILE 96 -5.606 5.938 -2.150 715 HG22 ILE 96 2HG2 ILE 96 -5.945 6.208 -3.859 716 HG23 ILE 96 3HG2 ILE 96 -4.870 4.899 -3.369 717 HD11 ILE 96 3HD1 ILE 96 -4.150 7.123 -0.664 718 HD12 ILE 96 1HD1 ILE 96 -3.756 5.405 -0.585 719 HD13 ILE 96 2HD1 ILE 96 -2.539 6.610 -0.160 720 H GLN 97 H GLN 97 -0.949 7.254 -4.513 721 HA GLN 97 HA GLN 97 0.514 8.975 -4.783 722 HB2 GLN 97 1HB GLN 97 -1.692 9.672 -6.650 723 HB3 GLN 97 2HB GLN 97 -0.526 10.933 -6.274 724 HG2 GLN 97 1HG GLN 97 1.171 9.889 -7.360 725 HG3 GLN 97 2HG GLN 97 0.536 8.277 -7.035 726 HE21 GLN 97 1HE2 GLN 97 -0.109 7.255 -8.775 727 HE22 GLN 97 2HE2 GLN 97 -0.791 7.971 -10.192 728 H SER 98 H SER 98 -0.584 9.023 -2.392 729 HA SER 98 HA SER 98 -1.983 11.435 -1.769 730 HB2 SER 98 1HB SER 98 -1.938 9.206 -0.448 731 HB3 SER 98 2HB SER 98 -0.433 9.817 0.240 732 HG SER 98 HG SER 98 -1.628 11.685 0.902 733 H ARG 99 H ARG 99 -1.009 13.333 -2.099 734 HA ARG 99 HA ARG 99 1.828 13.682 -1.787 735 HB2 ARG 99 1HB ARG 99 0.766 14.942 -3.517 736 HB3 ARG 99 2HB ARG 99 -0.424 15.594 -2.398 737 HG2 ARG 99 1HG ARG 99 1.271 16.905 -1.292 738 HG3 ARG 99 2HG ARG 99 2.527 16.181 -2.299 739 HD2 ARG 99 1HD ARG 99 0.243 17.515 -3.653 740 HD3 ARG 99 2HD ARG 99 1.450 18.534 -2.870 741 HE ARG 99 HE ARG 99 2.986 16.910 -4.332 742 HH11 ARG 99 1HH1 ARG 99 0.116 18.706 -5.140 743 HH12 ARG 99 2HH1 ARG 99 0.562 18.923 -6.801 744 HH21 ARG 99 1HH2 ARG 99 3.584 17.189 -6.515 745 HH22 ARG 99 2HH2 ARG 99 2.535 18.059 -7.581 746 H THR 100 H THR 100 2.747 13.864 0.140 747 HA THR 100 HA THR 100 1.621 14.149 2.587 748 HB THR 100 HB THR 100 3.749 15.033 3.424 749 HG1 THR 100 1HG THR 100 4.260 15.448 0.657 750 HG21 THR 100 3HG2 THR 100 3.834 12.850 1.364 751 HG22 THR 100 1HG2 THR 100 3.826 12.712 3.122 752 HG23 THR 100 2HG2 THR 100 5.268 13.293 2.289 753 H MET 101 H MET 101 1.432 15.914 4.100 754 HA MET 101 HA MET 101 0.078 18.150 3.011 755 HB2 MET 101 1HB MET 101 -0.460 18.690 5.174 756 HB3 MET 101 2HB MET 101 -0.054 16.992 5.384 757 HG2 MET 101 1HG MET 101 2.139 17.567 6.192 758 HG3 MET 101 2HG MET 101 1.846 19.273 5.864 759 HE1 MET 101 3HE MET 101 -0.852 17.050 8.840 760 HE2 MET 101 1HE MET 101 -1.383 17.536 7.230 761 HE3 MET 101 2HE MET 101 -0.105 16.335 7.410 762 HA PRO 102 HA PRO 102 3.451 20.863 2.174 763 HB2 PRO 102 1HB PRO 102 2.075 23.202 2.125 764 HB3 PRO 102 2HB PRO 102 1.988 22.010 0.824 765 HG2 PRO 102 1HG PRO 102 0.081 22.494 3.080 766 HG3 PRO 102 2HG PRO 102 -0.266 22.179 1.369 767 HD2 PRO 102 1HD PRO 102 -0.451 20.260 3.270 768 HD3 PRO 102 2HD PRO 102 0.028 19.904 1.598 769 H VAL 103 H VAL 103 4.750 20.830 3.988 770 HA VAL 103 HA VAL 103 4.201 21.664 6.544 771 HB VAL 103 HB VAL 103 6.290 20.562 5.989 772 HG11 VAL 103 1HG1 VAL 103 7.826 22.785 5.037 773 HG12 VAL 103 2HG1 VAL 103 7.580 21.202 4.298 774 HG13 VAL 103 3HG1 VAL 103 6.447 22.515 3.972 775 HG21 VAL 103 3HG2 VAL 103 6.821 21.470 7.967 776 HG22 VAL 103 1HG2 VAL 103 7.798 22.599 7.028 777 HG23 VAL 103 2HG2 VAL 103 6.165 23.046 7.523 Start of MODEL 17 1 H1 GLY 1 H GLY 1 4.597 -9.864 -13.389 2 HA2 GLY 1 1HA GLY 1 4.107 -11.119 -15.788 3 HA3 GLY 1 2HA GLY 1 5.650 -11.764 -15.249 4 H SER 2 H SER 2 3.021 -13.070 -15.589 5 HA SER 2 HA SER 2 1.741 -13.583 -13.175 6 HB2 SER 2 1HB SER 2 0.943 -14.298 -15.440 7 HB3 SER 2 2HB SER 2 2.154 -15.580 -15.412 8 HG SER 2 HG SER 2 -0.272 -15.629 -14.380 9 H SER 3 H SER 3 4.344 -15.467 -14.718 10 HA SER 3 HA SER 3 5.722 -17.093 -13.885 11 HB2 SER 3 1HB SER 3 5.823 -14.823 -11.948 12 HB3 SER 3 2HB SER 3 6.656 -16.318 -11.522 13 HG SER 3 HG SER 3 7.055 -15.297 -14.086 14 H GLY 4 H GLY 4 3.029 -17.727 -13.486 15 HA2 GLY 4 1HA GLY 4 2.146 -19.655 -12.432 16 HA3 GLY 4 2HA GLY 4 3.277 -19.417 -11.107 17 H SER 5 H SER 5 0.160 -19.554 -11.612 18 HA SER 5 HA SER 5 -0.577 -17.162 -10.088 19 HB2 SER 5 1HB SER 5 -2.251 -19.192 -11.581 20 HB3 SER 5 2HB SER 5 -2.929 -17.874 -10.626 21 HG SER 5 HG SER 5 -1.126 -16.808 -12.219 22 H SER 6 H SER 6 -0.061 -17.596 -7.994 23 HA SER 6 HA SER 6 -1.429 -19.898 -6.763 24 HB2 SER 6 1HB SER 6 0.435 -20.073 -5.161 25 HB3 SER 6 2HB SER 6 0.993 -20.298 -6.818 26 HG SER 6 HG SER 6 2.157 -18.772 -5.270 27 H GLY 7 H GLY 7 0.118 -16.779 -5.968 28 HA2 GLY 7 1HA GLY 7 -1.127 -16.342 -3.523 29 HA3 GLY 7 2HA GLY 7 -0.561 -15.069 -4.595 30 HA PRO 8 HA PRO 8 -5.176 -14.718 -4.145 31 HB2 PRO 8 1HB PRO 8 -5.165 -12.060 -3.590 32 HB3 PRO 8 2HB PRO 8 -4.989 -13.302 -2.345 33 HG2 PRO 8 1HG PRO 8 -2.881 -11.657 -3.690 34 HG3 PRO 8 2HG PRO 8 -3.045 -12.081 -1.976 35 HD2 PRO 8 1HD PRO 8 -1.339 -13.369 -3.638 36 HD3 PRO 8 2HD PRO 8 -2.143 -14.180 -2.278 37 H SER 9 H SER 9 -6.567 -13.953 -5.694 38 HA SER 9 HA SER 9 -5.311 -12.655 -8.016 39 HB2 SER 9 1HB SER 9 -7.037 -13.649 -9.376 40 HB3 SER 9 2HB SER 9 -6.357 -14.912 -8.351 41 HG SER 9 HG SER 9 -8.152 -14.832 -7.066 42 H GLY 10 H GLY 10 -6.066 -11.085 -5.798 43 HA2 GLY 10 1HA GLY 10 -7.758 -9.181 -7.118 44 HA3 GLY 10 2HA GLY 10 -8.555 -9.946 -5.752 45 H PHE 11 H PHE 11 -7.966 -7.176 -5.972 46 HA PHE 11 HA PHE 11 -5.913 -6.860 -3.883 47 HB2 PHE 11 1HB PHE 11 -5.903 -4.425 -4.696 48 HB3 PHE 11 2HB PHE 11 -5.162 -5.629 -5.744 49 HD1 PHE 11 2HD PHE 11 -6.433 -6.462 -7.731 50 HD2 PHE 11 1HD PHE 11 -7.729 -3.134 -5.415 51 HE1 PHE 11 2HE PHE 11 -7.888 -5.746 -9.581 52 HE2 PHE 11 1HE PHE 11 -9.187 -2.413 -7.262 53 HZ PHE 11 HZ PHE 11 -9.267 -3.719 -9.348 54 HA PRO 12 HA PRO 12 -8.910 -5.347 -1.059 55 HB2 PRO 12 1HB PRO 12 -7.496 -3.453 0.278 56 HB3 PRO 12 2HB PRO 12 -7.213 -5.186 0.482 57 HG2 PRO 12 1HG PRO 12 -5.710 -3.205 -1.184 58 HG3 PRO 12 2HG PRO 12 -5.083 -4.498 -0.147 59 HD2 PRO 12 1HD PRO 12 -5.266 -4.748 -2.836 60 HD3 PRO 12 2HD PRO 12 -5.459 -6.126 -1.734 61 H GLN 13 H GLN 13 -9.894 -3.253 -0.203 62 HA GLN 13 HA GLN 13 -9.909 -1.172 -2.282 63 HB2 GLN 13 1HB GLN 13 -12.438 -1.824 -0.837 64 HB3 GLN 13 2HB GLN 13 -12.210 -1.135 -2.439 65 HG2 GLN 13 1HG GLN 13 -11.489 -3.978 -1.821 66 HG3 GLN 13 2HG GLN 13 -13.121 -3.504 -2.289 67 HE21 GLN 13 1HE2 GLN 13 -12.355 -5.162 -3.978 68 HE22 GLN 13 2HE2 GLN 13 -11.673 -4.493 -5.417 69 H ASN 14 H ASN 14 -11.389 0.739 -1.330 70 HA ASN 14 HA ASN 14 -11.470 2.482 0.129 71 HB2 ASN 14 1HB ASN 14 -11.465 0.092 1.901 72 HB3 ASN 14 2HB ASN 14 -11.163 1.654 2.655 73 HD21 ASN 14 1HD2 ASN 14 -13.293 0.552 0.039 74 HD22 ASN 14 2HD2 ASN 14 -14.744 1.192 0.723 75 H LEU 15 H LEU 15 -8.902 1.595 -1.003 76 HA LEU 15 HA LEU 15 -6.902 2.042 1.011 77 HB2 LEU 15 1HB LEU 15 -6.546 0.605 -0.975 78 HB3 LEU 15 2HB LEU 15 -6.626 2.042 -1.991 79 HG LEU 15 HG LEU 15 -4.610 2.913 -0.841 80 HD11 LEU 15 1HD1 LEU 15 -3.273 1.148 0.417 81 HD12 LEU 15 2HD1 LEU 15 -4.794 0.270 0.571 82 HD13 LEU 15 3HD1 LEU 15 -4.633 1.884 1.264 83 HD21 LEU 15 3HD2 LEU 15 -4.769 1.147 -2.883 84 HD22 LEU 15 1HD2 LEU 15 -3.717 0.270 -1.771 85 HD23 LEU 15 2HD2 LEU 15 -3.266 1.884 -2.323 86 H HIS 16 H HIS 16 -6.720 4.004 1.883 87 HA HIS 16 HA HIS 16 -6.067 6.247 0.200 88 HB2 HIS 16 1HB HIS 16 -7.845 7.702 1.318 89 HB3 HIS 16 2HB HIS 16 -8.401 6.592 0.069 90 HD1 HIS 16 1HD HIS 16 -10.274 5.085 0.699 91 HD2 HIS 16 2HD HIS 16 -8.350 6.664 4.026 92 HE1 HIS 16 1HE HIS 16 -11.632 4.337 2.680 93 HE2 HIS 16 2HE HIS 16 -10.497 5.376 4.674 94 H VAL 17 H VAL 17 -5.935 8.304 1.759 95 HA VAL 17 HA VAL 17 -4.359 7.402 4.071 96 HB VAL 17 HB VAL 17 -4.280 10.003 2.538 97 HG11 VAL 17 1HG1 VAL 17 -3.186 9.238 5.178 98 HG12 VAL 17 2HG1 VAL 17 -2.116 10.140 4.102 99 HG13 VAL 17 3HG1 VAL 17 -3.678 10.817 4.566 100 HG21 VAL 17 3HG2 VAL 17 -1.945 9.251 2.051 101 HG22 VAL 17 1HG2 VAL 17 -2.356 7.696 2.775 102 HG23 VAL 17 2HG2 VAL 17 -3.200 8.246 1.327 103 H THR 18 H THR 18 -5.195 7.656 6.024 104 HA THR 18 HA THR 18 -7.611 9.145 6.439 105 HB THR 18 HB THR 18 -7.147 7.033 7.648 106 HG1 THR 18 1HG THR 18 -7.847 7.860 9.698 107 HG21 THR 18 3HG2 THR 18 -4.707 7.503 7.997 108 HG22 THR 18 1HG2 THR 18 -5.556 6.930 9.433 109 HG23 THR 18 2HG2 THR 18 -5.169 8.643 9.261 110 H GLY 19 H GLY 19 -4.232 9.772 6.774 111 HA2 GLY 19 1HA GLY 19 -4.590 12.528 7.200 112 HA3 GLY 19 2HA GLY 19 -4.266 11.766 8.750 113 H LEU 20 H LEU 20 -2.974 12.504 5.583 114 HA LEU 20 HA LEU 20 -0.450 11.280 5.912 115 HB2 LEU 20 1HB LEU 20 0.263 12.859 4.105 116 HB3 LEU 20 2HB LEU 20 -1.134 11.855 3.722 117 HG LEU 20 HG LEU 20 -1.101 14.372 3.053 118 HD11 LEU 20 1HD1 LEU 20 -3.666 13.935 4.319 119 HD12 LEU 20 2HD1 LEU 20 -3.087 12.490 3.491 120 HD13 LEU 20 3HD1 LEU 20 -3.247 14.007 2.607 121 HD21 LEU 20 3HD2 LEU 20 -1.985 15.876 4.699 122 HD22 LEU 20 1HD2 LEU 20 -0.522 15.136 5.348 123 HD23 LEU 20 2HD2 LEU 20 -2.106 14.579 5.888 124 H THR 21 H THR 21 1.620 12.646 5.870 125 HA THR 21 HA THR 21 1.452 14.976 7.635 126 HB THR 21 HB THR 21 3.532 12.897 8.222 127 HG1 THR 21 1HG THR 21 1.987 12.213 9.922 128 HG21 THR 21 3HG2 THR 21 3.949 14.946 9.304 129 HG22 THR 21 1HG2 THR 21 3.196 13.932 10.534 130 HG23 THR 21 2HG2 THR 21 2.249 15.173 9.713 131 H THR 22 H THR 22 3.369 16.290 7.638 132 HA THR 22 HA THR 22 4.417 16.933 5.220 133 HB THR 22 HB THR 22 6.320 17.993 6.389 134 HG1 THR 22 1HG THR 22 6.832 17.444 8.395 135 HG21 THR 22 3HG2 THR 22 4.995 19.454 7.864 136 HG22 THR 22 1HG2 THR 22 3.661 18.304 7.789 137 HG23 THR 22 2HG2 THR 22 4.178 19.152 6.331 138 H SER 23 H SER 23 6.028 14.823 7.602 139 HA SER 23 HA SER 23 7.854 13.913 5.498 140 HB2 SER 23 1HB SER 23 9.232 13.022 7.285 141 HB3 SER 23 2HB SER 23 8.811 14.691 7.666 142 HG SER 23 HG SER 23 8.534 12.800 9.291 143 H THR 24 H THR 24 5.652 12.639 7.972 144 HA THR 24 HA THR 24 5.791 9.988 6.746 145 HB THR 24 HB THR 24 4.734 9.123 8.684 146 HG1 THR 24 1HG THR 24 3.145 10.371 9.365 147 HG21 THR 24 3HG2 THR 24 6.619 11.339 9.493 148 HG22 THR 24 1HG2 THR 24 7.052 9.680 9.082 149 HG23 THR 24 2HG2 THR 24 6.121 10.013 10.542 150 H THR 25 H THR 25 3.614 8.791 6.699 151 HA THR 25 HA THR 25 1.337 10.471 6.047 152 HB THR 25 HB THR 25 2.855 8.912 3.994 153 HG1 THR 25 1HG THR 25 1.296 11.192 3.495 154 HG21 THR 25 3HG2 THR 25 -0.126 9.394 3.955 155 HG22 THR 25 1HG2 THR 25 0.690 7.832 3.965 156 HG23 THR 25 2HG2 THR 25 0.830 8.890 2.561 157 H GLU 26 H GLU 26 -0.318 9.562 7.060 158 HA GLU 26 HA GLU 26 -0.265 6.824 7.901 159 HB2 GLU 26 1HB GLU 26 -2.154 9.117 8.210 160 HB3 GLU 26 2HB GLU 26 -2.747 7.491 8.518 161 HG2 GLU 26 1HG GLU 26 -0.563 7.360 9.997 162 HG3 GLU 26 2HG GLU 26 -0.771 9.110 10.023 163 H LEU 27 H LEU 27 -1.982 5.272 7.435 164 HA LEU 27 HA LEU 27 -3.368 5.651 4.892 165 HB2 LEU 27 1HB LEU 27 -1.648 3.242 5.453 166 HB3 LEU 27 2HB LEU 27 -2.591 3.548 3.997 167 HG LEU 27 HG LEU 27 -0.252 5.236 4.873 168 HD11 LEU 27 1HD1 LEU 27 0.751 3.196 4.400 169 HD12 LEU 27 2HD1 LEU 27 0.824 4.048 2.859 170 HD13 LEU 27 3HD1 LEU 27 -0.404 2.811 3.124 171 HD21 LEU 27 3HD2 LEU 27 -0.753 6.572 3.168 172 HD22 LEU 27 1HD2 LEU 27 -2.290 5.717 3.037 173 HD23 LEU 27 2HD2 LEU 27 -0.911 5.205 2.063 174 H ALA 28 H ALA 28 -4.944 3.878 4.471 175 HA ALA 28 HA ALA 28 -5.704 2.097 6.551 176 HB1 ALA 28 3HB ALA 28 -6.592 3.813 7.805 177 HB2 ALA 28 1HB ALA 28 -7.075 4.744 6.386 178 HB3 ALA 28 2HB ALA 28 -7.992 3.311 6.857 179 H TRP 29 H TRP 29 -6.258 0.447 5.287 180 HA TRP 29 HA TRP 29 -8.238 0.931 3.165 181 HB2 TRP 29 1HB TRP 29 -7.111 -0.735 1.753 182 HB3 TRP 29 2HB TRP 29 -6.045 0.618 2.120 183 HD1 TRP 29 HD TRP 29 -6.455 -3.119 2.715 184 HE1 TRP 29 1HE TRP 29 -4.288 -4.042 3.753 185 HE3 TRP 29 3HE TRP 29 -4.045 1.298 3.621 186 HZ2 TRP 29 2HZ TRP 29 -1.877 -3.031 4.816 187 HZ3 TRP 29 3HZ TRP 29 -1.812 1.232 4.651 188 HH2 TRP 29 HH TRP 29 -0.752 -0.888 5.236 189 H ASP 30 H ASP 30 -9.130 -1.308 2.399 190 HA ASP 30 HA ASP 30 -9.711 -2.898 4.812 191 HB2 ASP 30 1HB ASP 30 -11.933 -2.992 4.276 192 HB3 ASP 30 2HB ASP 30 -11.546 -1.444 3.529 193 HA PRO 31 HA PRO 31 -8.305 -6.535 2.804 194 HB2 PRO 31 1HB PRO 31 -10.065 -8.396 3.703 195 HB3 PRO 31 2HB PRO 31 -8.821 -7.674 4.731 196 HG2 PRO 31 1HG PRO 31 -11.728 -6.992 4.511 197 HG3 PRO 31 2HG PRO 31 -10.722 -7.148 5.963 198 HD2 PRO 31 1HD PRO 31 -11.354 -4.748 4.880 199 HD3 PRO 31 2HD PRO 31 -9.815 -5.043 5.714 200 HA PRO 32 HA PRO 32 -10.512 -7.272 -0.931 201 HB2 PRO 32 1HB PRO 32 -9.697 -9.792 -1.529 202 HB3 PRO 32 2HB PRO 32 -8.642 -8.381 -1.676 203 HG2 PRO 32 1HG PRO 32 -8.805 -10.404 0.525 204 HG3 PRO 32 2HG PRO 32 -7.371 -9.690 -0.234 205 HD2 PRO 32 1HD PRO 32 -8.325 -8.849 2.156 206 HD3 PRO 32 2HD PRO 32 -7.518 -7.757 1.012 207 H VAL 33 H VAL 33 -12.567 -7.781 -1.339 208 HA VAL 33 HA VAL 33 -14.307 -9.000 0.384 209 HB VAL 33 HB VAL 33 -15.764 -9.449 -1.630 210 HG11 VAL 33 1HG1 VAL 33 -15.117 -7.097 -0.353 211 HG12 VAL 33 2HG1 VAL 33 -14.973 -6.681 -2.062 212 HG13 VAL 33 3HG1 VAL 33 -16.484 -7.344 -1.438 213 HG21 VAL 33 3HG2 VAL 33 -13.422 -9.488 -3.016 214 HG22 VAL 33 1HG2 VAL 33 -15.014 -9.258 -3.739 215 HG23 VAL 33 2HG2 VAL 33 -14.007 -7.861 -3.361 216 H LEU 34 H LEU 34 -15.023 -11.036 0.802 217 HA LEU 34 HA LEU 34 -13.391 -13.217 0.575 218 HB2 LEU 34 1HB LEU 34 -15.196 -14.552 1.265 219 HB3 LEU 34 2HB LEU 34 -15.480 -12.962 1.969 220 HG LEU 34 HG LEU 34 -16.808 -13.767 -0.597 221 HD11 LEU 34 1HD1 LEU 34 -18.424 -14.981 0.416 222 HD12 LEU 34 2HD1 LEU 34 -18.297 -14.094 1.934 223 HD13 LEU 34 3HD1 LEU 34 -17.115 -15.342 1.542 224 HD21 LEU 34 3HD2 LEU 34 -16.917 -11.430 -0.010 225 HD22 LEU 34 1HD2 LEU 34 -17.479 -11.828 1.614 226 HD23 LEU 34 2HD2 LEU 34 -18.505 -12.163 0.218 227 H ALA 35 H ALA 35 -15.727 -12.033 -1.757 228 HA ALA 35 HA ALA 35 -15.920 -14.230 -3.448 229 HB1 ALA 35 3HB ALA 35 -16.360 -11.336 -3.688 230 HB2 ALA 35 1HB ALA 35 -16.036 -12.172 -5.207 231 HB3 ALA 35 2HB ALA 35 -17.379 -12.688 -4.185 232 H GLU 36 H GLU 36 -13.523 -11.611 -3.434 233 HA GLU 36 HA GLU 36 -11.905 -13.186 -5.327 234 HB2 GLU 36 1HB GLU 36 -12.026 -10.212 -4.833 235 HB3 GLU 36 2HB GLU 36 -10.742 -10.973 -5.762 236 HG2 GLU 36 1HG GLU 36 -13.570 -11.505 -6.514 237 HG3 GLU 36 2HG GLU 36 -12.845 -9.956 -6.940 238 H ARG 37 H ARG 37 -11.517 -14.264 -3.066 239 HA ARG 37 HA ARG 37 -9.275 -12.908 -1.728 240 HB2 ARG 37 1HB ARG 37 -11.377 -14.802 -0.793 241 HB3 ARG 37 2HB ARG 37 -9.797 -14.886 -0.026 242 HG2 ARG 37 1HG ARG 37 -9.989 -12.435 0.439 243 HG3 ARG 37 2HG ARG 37 -11.654 -12.525 -0.138 244 HD2 ARG 37 1HD ARG 37 -12.034 -14.328 1.576 245 HD3 ARG 37 2HD ARG 37 -10.442 -13.939 2.228 246 HE ARG 37 HE ARG 37 -11.880 -11.565 2.092 247 HH11 ARG 37 1HH1 ARG 37 -12.052 -14.619 3.755 248 HH12 ARG 37 2HH1 ARG 37 -12.842 -13.962 5.151 249 HH21 ARG 37 1HH2 ARG 37 -12.920 -10.689 3.923 250 HH22 ARG 37 2HH2 ARG 37 -13.336 -11.727 5.245 251 H ASN 38 H ASN 38 -10.340 -16.042 -3.001 252 HA ASN 38 HA ASN 38 -9.182 -17.796 -3.874 253 HB2 ASN 38 1HB ASN 38 -7.896 -15.714 -4.893 254 HB3 ASN 38 2HB ASN 38 -6.604 -16.287 -3.842 255 HD21 ASN 38 1HD2 ASN 38 -6.431 -16.209 -6.626 256 HD22 ASN 38 2HD2 ASN 38 -6.316 -17.830 -7.213 257 H GLY 39 H GLY 39 -9.288 -17.206 -0.958 258 HA2 GLY 39 1HA GLY 39 -8.380 -19.261 0.325 259 HA3 GLY 39 2HA GLY 39 -6.826 -18.532 -0.047 260 H ARG 40 H ARG 40 -6.015 -17.620 1.714 261 HA ARG 40 HA ARG 40 -7.763 -15.873 3.304 262 HB2 ARG 40 1HB ARG 40 -6.608 -16.662 5.360 263 HB3 ARG 40 2HB ARG 40 -7.568 -17.911 4.578 264 HG2 ARG 40 1HG ARG 40 -4.690 -17.727 3.878 265 HG3 ARG 40 2HG ARG 40 -5.127 -18.373 5.461 266 HD2 ARG 40 1HD ARG 40 -6.448 -19.377 2.966 267 HD3 ARG 40 2HD ARG 40 -4.879 -20.001 3.473 268 HE ARG 40 HE ARG 40 -6.741 -20.086 5.610 269 HH11 ARG 40 1HH1 ARG 40 -5.874 -21.683 2.641 270 HH12 ARG 40 2HH1 ARG 40 -6.515 -23.218 3.127 271 HH21 ARG 40 1HH2 ARG 40 -7.588 -22.101 6.262 272 HH22 ARG 40 2HH2 ARG 40 -7.490 -23.454 5.187 273 H ILE 41 H ILE 41 -6.631 -14.216 4.500 274 HA ILE 41 HA ILE 41 -4.196 -13.372 3.106 275 HB ILE 41 HB ILE 41 -5.721 -11.644 5.025 276 HG12 ILE 41 1HG1 ILE 41 -7.412 -12.507 3.508 277 HG13 ILE 41 2HG1 ILE 41 -7.065 -10.829 3.104 278 HG21 ILE 41 1HG2 ILE 41 -3.595 -11.325 3.057 279 HG22 ILE 41 2HG2 ILE 41 -4.884 -10.134 2.891 280 HG23 ILE 41 3HG2 ILE 41 -4.034 -10.305 4.427 281 HD11 ILE 41 3HD1 ILE 41 -7.183 -11.876 1.045 282 HD12 ILE 41 1HD1 ILE 41 -5.450 -11.810 1.363 283 HD13 ILE 41 2HD1 ILE 41 -6.336 -13.314 1.615 284 H ILE 42 H ILE 42 -2.405 -12.513 4.279 285 HA ILE 42 HA ILE 42 -2.264 -13.327 7.102 286 HB ILE 42 HB ILE 42 0.187 -13.901 6.617 287 HG12 ILE 42 1HG1 ILE 42 -0.918 -14.199 3.816 288 HG13 ILE 42 2HG1 ILE 42 0.179 -12.919 4.324 289 HG21 ILE 42 1HG2 ILE 42 -2.110 -15.599 5.677 290 HG22 ILE 42 2HG2 ILE 42 -0.460 -16.204 5.811 291 HG23 ILE 42 3HG2 ILE 42 -1.306 -15.625 7.246 292 HD11 ILE 42 3HD1 ILE 42 1.732 -14.845 5.035 293 HD12 ILE 42 1HD1 ILE 42 0.711 -15.839 3.997 294 HD13 ILE 42 2HD1 ILE 42 1.578 -14.460 3.321 295 H SER 43 H SER 43 -1.165 -11.222 4.530 296 HA SER 43 HA SER 43 -0.747 -9.055 6.322 297 HB2 SER 43 1HB SER 43 1.728 -8.788 5.683 298 HB3 SER 43 2HB SER 43 1.337 -10.010 6.894 299 HG SER 43 HG SER 43 1.714 -10.507 4.124 300 H TYR 44 H TYR 44 0.515 -7.226 5.034 301 HA TYR 44 HA TYR 44 -0.189 -7.331 2.194 302 HB2 TYR 44 1HB TYR 44 -1.059 -5.137 4.086 303 HB3 TYR 44 2HB TYR 44 -1.240 -5.093 2.336 304 HD1 TYR 44 2HD TYR 44 -2.129 -7.264 5.245 305 HD2 TYR 44 1HD TYR 44 -3.258 -5.758 1.430 306 HE1 TYR 44 2HE TYR 44 -4.303 -8.396 5.449 307 HE2 TYR 44 1HE TYR 44 -5.436 -6.885 1.623 308 HH TYR 44 HH TYR 44 -6.739 -7.913 4.344 309 H THR 45 H THR 45 0.868 -5.715 0.902 310 HA THR 45 HA THR 45 3.304 -4.649 2.176 311 HB THR 45 HB THR 45 2.948 -5.599 -0.673 312 HG1 THR 45 1HG THR 45 4.025 -6.720 1.655 313 HG21 THR 45 3HG2 THR 45 4.461 -3.734 -0.663 314 HG22 THR 45 1HG2 THR 45 5.413 -5.210 -0.818 315 HG23 THR 45 2HG2 THR 45 5.322 -4.377 0.734 316 H VAL 46 H VAL 46 3.351 -2.511 2.292 317 HA VAL 46 HA VAL 46 1.662 -0.933 0.498 318 HB VAL 46 HB VAL 46 3.177 -0.078 2.969 319 HG11 VAL 46 1HG1 VAL 46 1.137 1.732 2.452 320 HG12 VAL 46 2HG1 VAL 46 2.864 1.989 2.200 321 HG13 VAL 46 3HG1 VAL 46 1.854 1.414 0.873 322 HG21 VAL 46 3HG2 VAL 46 0.287 0.042 3.097 323 HG22 VAL 46 1HG2 VAL 46 0.861 -1.597 2.788 324 HG23 VAL 46 2HG2 VAL 46 1.433 -0.715 4.203 325 H VAL 47 H VAL 47 2.806 -0.819 -1.401 326 HA VAL 47 HA VAL 47 5.597 -0.025 -1.385 327 HB VAL 47 HB VAL 47 3.717 -0.521 -3.698 328 HG11 VAL 47 1HG1 VAL 47 5.892 1.006 -3.875 329 HG12 VAL 47 2HG1 VAL 47 6.661 -0.576 -4.030 330 HG13 VAL 47 3HG1 VAL 47 5.399 -0.093 -5.164 331 HG21 VAL 47 3HG2 VAL 47 4.068 -2.680 -3.302 332 HG22 VAL 47 1HG2 VAL 47 5.789 -2.423 -3.590 333 HG23 VAL 47 2HG2 VAL 47 5.139 -2.294 -1.956 334 H PHE 48 H PHE 48 6.091 2.044 -1.100 335 HA PHE 48 HA PHE 48 4.370 4.081 -2.356 336 HB2 PHE 48 1HB PHE 48 5.200 5.633 -0.584 337 HB3 PHE 48 2HB PHE 48 4.254 4.289 0.046 338 HD1 PHE 48 2HD PHE 48 5.597 2.230 0.866 339 HD2 PHE 48 1HD PHE 48 7.266 6.108 0.325 340 HE1 PHE 48 2HE PHE 48 7.440 1.646 2.387 341 HE2 PHE 48 1HE PHE 48 9.112 5.529 1.845 342 HZ PHE 48 HZ PHE 48 9.201 3.296 2.879 343 H ARG 49 H ARG 49 5.284 5.535 -3.699 344 HA ARG 49 HA ARG 49 8.146 5.959 -3.726 345 HB2 ARG 49 1HB ARG 49 8.121 4.033 -5.118 346 HB3 ARG 49 2HB ARG 49 6.700 4.593 -5.989 347 HG2 ARG 49 1HG ARG 49 8.168 6.543 -6.755 348 HG3 ARG 49 2HG ARG 49 9.525 5.567 -6.189 349 HD2 ARG 49 1HD ARG 49 8.985 5.329 -8.628 350 HD3 ARG 49 2HD ARG 49 9.012 3.820 -7.716 351 HE ARG 49 HE ARG 49 6.748 3.588 -8.071 352 HH11 ARG 49 1HH1 ARG 49 7.785 6.765 -9.045 353 HH12 ARG 49 2HH1 ARG 49 6.293 7.153 -9.836 354 HH21 ARG 49 1HH2 ARG 49 4.779 4.086 -9.109 355 HH22 ARG 49 2HH2 ARG 49 4.583 5.628 -9.871 356 H ASP 50 H ASP 50 8.624 7.983 -4.341 357 HA ASP 50 HA ASP 50 6.549 9.848 -4.828 358 HB2 ASP 50 1HB ASP 50 8.456 10.680 -3.707 359 HB3 ASP 50 2HB ASP 50 9.554 10.030 -4.921 360 H ILE 51 H ILE 51 5.510 10.195 -6.666 361 HA ILE 51 HA ILE 51 6.250 9.057 -9.132 362 HB ILE 51 HB ILE 51 4.464 10.441 -10.116 363 HG12 ILE 51 1HG1 ILE 51 4.036 11.578 -7.354 364 HG13 ILE 51 2HG1 ILE 51 4.967 12.422 -8.587 365 HG21 ILE 51 1HG2 ILE 51 3.706 9.179 -7.485 366 HG22 ILE 51 2HG2 ILE 51 2.616 9.502 -8.832 367 HG23 ILE 51 3HG2 ILE 51 3.920 8.328 -9.014 368 HD11 ILE 51 3HD1 ILE 51 2.102 11.564 -8.902 369 HD12 ILE 51 1HD1 ILE 51 2.625 13.177 -8.418 370 HD13 ILE 51 2HD1 ILE 51 3.044 12.556 -10.015 371 H ASN 52 H ASN 52 7.574 11.658 -7.552 372 HA ASN 52 HA ASN 52 8.332 13.029 -10.037 373 HB2 ASN 52 1HB ASN 52 8.547 13.918 -7.153 374 HB3 ASN 52 2HB ASN 52 9.113 14.855 -8.532 375 HD21 ASN 52 1HD2 ASN 52 6.277 13.466 -7.003 376 HD22 ASN 52 2HD2 ASN 52 5.136 14.559 -7.701 377 H SER 53 H SER 53 9.447 10.697 -7.968 378 HA SER 53 HA SER 53 12.238 11.240 -8.735 379 HB2 SER 53 1HB SER 53 11.106 10.567 -6.061 380 HB3 SER 53 2HB SER 53 12.664 9.861 -6.491 381 HG SER 53 HG SER 53 12.850 11.908 -5.441 382 H GLN 54 H GLN 54 13.559 9.091 -8.257 383 HA GLN 54 HA GLN 54 12.046 6.901 -9.519 384 HB2 GLN 54 1HB GLN 54 14.213 6.149 -10.452 385 HB3 GLN 54 2HB GLN 54 13.753 7.753 -11.007 386 HG2 GLN 54 1HG GLN 54 15.230 8.564 -9.025 387 HG3 GLN 54 2HG GLN 54 15.929 6.949 -9.135 388 HE21 GLN 54 1HE2 GLN 54 15.087 9.733 -11.158 389 HE22 GLN 54 2HE2 GLN 54 16.455 9.605 -12.206 390 H GLN 55 H GLN 55 12.688 7.662 -6.604 391 HA GLN 55 HA GLN 55 14.151 5.276 -5.767 392 HB2 GLN 55 1HB GLN 55 14.845 7.291 -4.672 393 HB3 GLN 55 2HB GLN 55 13.187 7.708 -4.263 394 HG2 GLN 55 1HG GLN 55 14.374 6.894 -2.319 395 HG3 GLN 55 2HG GLN 55 13.069 5.794 -2.758 396 HE21 GLN 55 1HE2 GLN 55 13.552 3.756 -3.515 397 HE22 GLN 55 2HE2 GLN 55 15.135 3.073 -3.418 398 H GLU 56 H GLU 56 12.846 3.532 -5.862 399 HA GLU 56 HA GLU 56 10.087 3.691 -4.989 400 HB2 GLU 56 1HB GLU 56 11.105 2.272 -6.948 401 HB3 GLU 56 2HB GLU 56 11.459 1.119 -5.669 402 HG2 GLU 56 1HG GLU 56 8.744 2.190 -6.405 403 HG3 GLU 56 2HG GLU 56 9.367 0.577 -6.749 404 H LEU 57 H LEU 57 9.197 2.557 -3.251 405 HA LEU 57 HA LEU 57 10.883 1.062 -1.453 406 HB2 LEU 57 1HB LEU 57 9.612 3.602 -0.453 407 HB3 LEU 57 2HB LEU 57 10.620 2.483 0.462 408 HG LEU 57 HG LEU 57 11.641 4.072 -1.884 409 HD11 LEU 57 1HD1 LEU 57 10.743 5.445 0.084 410 HD12 LEU 57 2HD1 LEU 57 12.393 5.753 -0.454 411 HD13 LEU 57 3HD1 LEU 57 12.103 4.785 0.991 412 HD21 LEU 57 3HD2 LEU 57 13.214 2.920 0.394 413 HD22 LEU 57 1HD2 LEU 57 13.769 3.407 -1.207 414 HD23 LEU 57 2HD2 LEU 57 12.798 1.947 -1.018 415 H GLN 58 H GLN 58 9.641 0.234 0.429 416 HA GLN 58 HA GLN 58 6.769 0.403 0.328 417 HB2 GLN 58 1HB GLN 58 6.373 -1.968 -0.100 418 HB3 GLN 58 2HB GLN 58 7.197 -1.220 -1.461 419 HG2 GLN 58 1HG GLN 58 8.172 -3.357 -1.081 420 HG3 GLN 58 2HG GLN 58 9.337 -2.127 -0.592 421 HE21 GLN 58 1HE2 GLN 58 7.184 -4.630 0.480 422 HE22 GLN 58 2HE2 GLN 58 7.789 -4.742 2.094 423 H ASN 59 H ASN 59 5.869 -1.431 1.891 424 HA ASN 59 HA ASN 59 7.684 -1.980 4.093 425 HB2 ASN 59 1HB ASN 59 5.365 -0.074 4.277 426 HB3 ASN 59 2HB ASN 59 5.897 -0.982 5.689 427 HD21 ASN 59 1HD2 ASN 59 8.548 -0.981 5.557 428 HD22 ASN 59 2HD2 ASN 59 9.180 0.627 5.589 429 H ILE 60 H ILE 60 6.428 -3.152 5.899 430 HA ILE 60 HA ILE 60 4.235 -4.757 4.791 431 HB ILE 60 HB ILE 60 6.579 -5.957 6.267 432 HG12 ILE 60 1HG1 ILE 60 5.885 -6.261 3.341 433 HG13 ILE 60 2HG1 ILE 60 7.098 -5.134 3.939 434 HG21 ILE 60 1HG2 ILE 60 5.567 -8.033 5.997 435 HG22 ILE 60 2HG2 ILE 60 4.218 -6.977 6.412 436 HG23 ILE 60 3HG2 ILE 60 4.483 -7.450 4.734 437 HD11 ILE 60 3HD1 ILE 60 7.921 -7.359 3.061 438 HD12 ILE 60 1HD1 ILE 60 8.507 -6.866 4.650 439 HD13 ILE 60 2HD1 ILE 60 7.227 -8.072 4.517 440 H THR 61 H THR 61 2.639 -5.211 6.202 441 HA THR 61 HA THR 61 3.095 -5.056 9.065 442 HB THR 61 HB THR 61 2.625 -2.738 8.626 443 HG1 THR 61 1HG THR 61 1.507 -3.855 10.414 444 HG21 THR 61 3HG2 THR 61 0.867 -3.812 6.627 445 HG22 THR 61 1HG2 THR 61 1.422 -2.152 6.844 446 HG23 THR 61 2HG2 THR 61 -0.026 -2.715 7.680 447 H THR 62 H THR 62 1.638 -6.232 10.247 448 HA THR 62 HA THR 62 0.002 -8.090 8.785 449 HB THR 62 HB THR 62 -0.596 -8.926 11.109 450 HG1 THR 62 1HG THR 62 -0.087 -6.923 12.188 451 HG21 THR 62 3HG2 THR 62 1.268 -9.804 9.651 452 HG22 THR 62 1HG2 THR 62 1.470 -10.076 11.381 453 HG23 THR 62 2HG2 THR 62 2.368 -8.787 10.580 454 H ASP 63 H ASP 63 -0.571 -5.017 9.387 455 HA ASP 63 HA ASP 63 -3.396 -5.419 10.118 456 HB2 ASP 63 1HB ASP 63 -1.466 -3.207 10.672 457 HB3 ASP 63 2HB ASP 63 -3.175 -2.813 10.506 458 H THR 64 H THR 64 -4.946 -3.952 9.073 459 HA THR 64 HA THR 64 -4.474 -3.865 6.233 460 HB THR 64 HB THR 64 -6.859 -2.679 6.422 461 HG1 THR 64 1HG THR 64 -7.937 -3.589 8.277 462 HG21 THR 64 3HG2 THR 64 -6.833 -5.593 7.061 463 HG22 THR 64 1HG2 THR 64 -6.071 -5.041 5.570 464 HG23 THR 64 2HG2 THR 64 -7.779 -4.712 5.861 465 H ARG 65 H ARG 65 -3.227 -1.952 8.368 466 HA ARG 65 HA ARG 65 -3.526 0.441 6.703 467 HB2 ARG 65 1HB ARG 65 -3.763 1.896 8.593 468 HB3 ARG 65 2HB ARG 65 -4.992 0.645 8.720 469 HG2 ARG 65 1HG ARG 65 -4.256 0.645 10.863 470 HG3 ARG 65 2HG ARG 65 -3.121 -0.524 10.185 471 HD2 ARG 65 1HD ARG 65 -1.481 1.276 9.866 472 HD3 ARG 65 2HD ARG 65 -2.616 2.424 10.575 473 HE ARG 65 HE ARG 65 -2.109 0.236 12.322 474 HH11 ARG 65 1HH1 ARG 65 -0.776 3.228 11.144 475 HH12 ARG 65 2HH1 ARG 65 0.175 3.515 12.564 476 HH21 ARG 65 1HH2 ARG 65 -0.862 0.602 14.197 477 HH22 ARG 65 2HH2 ARG 65 0.126 2.020 14.299 478 H PHE 66 H PHE 66 -1.793 2.076 7.209 479 HA PHE 66 HA PHE 66 0.573 1.230 8.554 480 HB2 PHE 66 1HB PHE 66 0.651 -0.155 6.456 481 HB3 PHE 66 2HB PHE 66 0.747 1.344 5.539 482 HD1 PHE 66 1HD PHE 66 2.501 -0.848 7.905 483 HD2 PHE 66 2HD PHE 66 2.769 2.607 5.435 484 HE1 PHE 66 1HE PHE 66 4.945 -0.842 8.185 485 HE2 PHE 66 2HE PHE 66 5.213 2.618 5.709 486 HZ PHE 66 HZ PHE 66 6.305 0.892 7.085 487 H THR 67 H THR 67 2.334 2.812 8.338 488 HA THR 67 HA THR 67 1.427 5.431 7.352 489 HB THR 67 HB THR 67 2.797 4.970 10.010 490 HG1 THR 67 1HG THR 67 0.125 5.308 9.246 491 HG21 THR 67 3HG2 THR 67 3.314 7.136 9.992 492 HG22 THR 67 1HG2 THR 67 1.625 7.558 9.713 493 HG23 THR 67 2HG2 THR 67 2.696 7.256 8.344 494 H LEU 68 H LEU 68 2.805 6.031 5.821 495 HA LEU 68 HA LEU 68 5.409 4.964 5.523 496 HB2 LEU 68 1HB LEU 68 4.034 7.326 4.267 497 HB3 LEU 68 2HB LEU 68 5.658 6.810 3.820 498 HG LEU 68 HG LEU 68 4.509 5.747 2.185 499 HD11 LEU 68 1HD1 LEU 68 5.559 4.007 3.597 500 HD12 LEU 68 2HD1 LEU 68 4.155 3.426 2.702 501 HD13 LEU 68 3HD1 LEU 68 4.015 3.789 4.422 502 HD21 LEU 68 3HD2 LEU 68 2.233 5.276 2.156 503 HD22 LEU 68 1HD2 LEU 68 2.333 6.710 3.178 504 HD23 LEU 68 2HD2 LEU 68 2.142 5.117 3.910 505 H THR 69 H THR 69 7.321 6.559 5.187 506 HA THR 69 HA THR 69 7.414 8.816 6.962 507 HB THR 69 HB THR 69 9.107 7.993 8.483 508 HG1 THR 69 1HG THR 69 9.034 5.776 6.773 509 HG21 THR 69 3HG2 THR 69 7.792 6.413 9.779 510 HG22 THR 69 1HG2 THR 69 6.803 6.042 8.368 511 HG23 THR 69 2HG2 THR 69 6.739 7.649 9.092 512 H GLY 70 H GLY 70 9.614 9.811 7.004 513 HA2 GLY 70 1HA GLY 70 11.489 10.585 5.926 514 HA3 GLY 70 2HA GLY 70 11.653 8.979 5.233 515 H LEU 71 H LEU 71 8.888 11.118 4.809 516 HA LEU 71 HA LEU 71 9.487 11.179 1.930 517 HB2 LEU 71 1HB LEU 71 6.819 11.899 3.050 518 HB3 LEU 71 2HB LEU 71 7.226 11.213 1.479 519 HG LEU 71 HG LEU 71 7.473 9.633 4.025 520 HD11 LEU 71 1HD1 LEU 71 5.196 8.768 2.690 521 HD12 LEU 71 2HD1 LEU 71 5.065 10.526 2.707 522 HD13 LEU 71 3HD1 LEU 71 5.261 9.643 4.220 523 HD21 LEU 71 3HD2 LEU 71 6.955 7.832 2.180 524 HD22 LEU 71 1HD2 LEU 71 8.590 8.452 2.413 525 HD23 LEU 71 2HD2 LEU 71 7.589 9.077 1.102 526 H LYS 72 H LYS 72 8.742 13.152 0.766 527 HA LYS 72 HA LYS 72 9.587 15.517 2.257 528 HB2 LYS 72 1HB LYS 72 10.710 15.136 0.148 529 HB3 LYS 72 2HB LYS 72 9.171 15.037 -0.698 530 HG2 LYS 72 1HG LYS 72 8.785 17.436 0.088 531 HG3 LYS 72 2HG LYS 72 10.507 17.448 0.480 532 HD2 LYS 72 1HD LYS 72 9.502 16.636 -2.234 533 HD3 LYS 72 2HD LYS 72 9.809 18.325 -1.821 534 HE2 LYS 72 1HE LYS 72 12.117 17.339 -1.004 535 HE3 LYS 72 2HE LYS 72 11.719 16.066 -2.156 536 HZ1 LYS 72 3HZ LYS 72 11.755 18.954 -2.833 537 HZ2 LYS 72 1HZ LYS 72 11.590 17.656 -3.906 538 HZ3 LYS 72 2HZ LYS 72 13.056 17.906 -3.100 539 HA PRO 73 HA PRO 73 5.480 17.060 2.683 540 HB2 PRO 73 1HB PRO 73 6.071 19.682 3.066 541 HB3 PRO 73 2HB PRO 73 6.336 18.447 4.303 542 HG2 PRO 73 1HG PRO 73 8.295 19.675 2.401 543 HG3 PRO 73 2HG PRO 73 8.487 19.312 4.126 544 HD2 PRO 73 1HD PRO 73 9.494 17.720 2.182 545 HD3 PRO 73 2HD PRO 73 8.924 17.083 3.738 546 H ASP 74 H ASP 74 3.900 18.108 1.504 547 HA ASP 74 HA ASP 74 2.873 18.889 -0.372 548 HB2 ASP 74 1HB ASP 74 3.894 20.992 0.370 549 HB3 ASP 74 2HB ASP 74 5.361 20.604 -0.525 550 H THR 75 H THR 75 4.215 16.506 -0.756 551 HA THR 75 HA THR 75 4.913 16.729 -3.593 552 HB THR 75 HB THR 75 6.592 15.378 -1.488 553 HG1 THR 75 1HG THR 75 7.181 17.500 -2.006 554 HG21 THR 75 3HG2 THR 75 7.857 14.300 -3.257 555 HG22 THR 75 1HG2 THR 75 6.777 14.974 -4.476 556 HG23 THR 75 2HG2 THR 75 6.173 13.780 -3.326 557 H THR 76 H THR 76 3.944 15.232 -4.814 558 HA THR 76 HA THR 76 2.065 13.437 -3.685 559 HB THR 76 HB THR 76 3.151 13.452 -6.508 560 HG1 THR 76 1HG THR 76 1.881 15.116 -6.844 561 HG21 THR 76 3HG2 THR 76 1.214 11.799 -5.140 562 HG22 THR 76 1HG2 THR 76 1.870 11.642 -6.769 563 HG23 THR 76 2HG2 THR 76 0.470 12.674 -6.478 564 H TYR 77 H TYR 77 2.192 11.322 -3.192 565 HA TYR 77 HA TYR 77 4.658 9.880 -3.902 566 HB2 TYR 77 1HB TYR 77 3.395 10.257 -1.224 567 HB3 TYR 77 2HB TYR 77 4.172 8.716 -1.570 568 HD1 TYR 77 1HD TYR 77 6.581 8.578 -1.884 569 HD2 TYR 77 2HD TYR 77 4.698 12.295 -1.021 570 HE1 TYR 77 1HE TYR 77 8.771 9.554 -1.336 571 HE2 TYR 77 2HE TYR 77 6.883 13.281 -0.472 572 HH TYR 77 HH TYR 77 9.714 11.380 -0.092 573 H ASP 78 H ASP 78 4.066 8.327 -5.260 574 HA ASP 78 HA ASP 78 1.453 7.249 -5.418 575 HB2 ASP 78 1HB ASP 78 2.786 7.225 -7.395 576 HB3 ASP 78 2HB ASP 78 4.093 6.368 -6.585 577 H ILE 79 H ILE 79 0.738 6.306 -3.563 578 HA ILE 79 HA ILE 79 2.335 4.086 -2.473 579 HB ILE 79 HB ILE 79 0.070 5.532 -1.101 580 HG12 ILE 79 1HG1 ILE 79 2.916 5.871 -0.273 581 HG13 ILE 79 2HG1 ILE 79 2.351 6.772 -1.675 582 HG21 ILE 79 1HG2 ILE 79 0.763 4.396 0.876 583 HG22 ILE 79 2HG2 ILE 79 0.593 3.188 -0.397 584 HG23 ILE 79 3HG2 ILE 79 2.196 3.753 0.074 585 HD11 ILE 79 3HD1 ILE 79 1.023 8.124 -0.440 586 HD12 ILE 79 1HD1 ILE 79 0.683 6.881 0.764 587 HD13 ILE 79 2HD1 ILE 79 2.226 7.734 0.789 588 H LYS 80 H LYS 80 1.554 2.064 -2.511 589 HA LYS 80 HA LYS 80 -1.285 1.653 -3.135 590 HB2 LYS 80 1HB LYS 80 -0.365 -0.350 -4.566 591 HB3 LYS 80 2HB LYS 80 -0.478 1.263 -5.257 592 HG2 LYS 80 1HG LYS 80 1.998 1.415 -4.298 593 HG3 LYS 80 2HG LYS 80 1.905 -0.332 -4.532 594 HD2 LYS 80 1HD LYS 80 1.482 1.818 -6.602 595 HD3 LYS 80 2HD LYS 80 2.799 0.646 -6.529 596 HE2 LYS 80 1HE LYS 80 1.141 -1.168 -6.825 597 HE3 LYS 80 2HE LYS 80 -0.121 0.050 -7.001 598 HZ1 LYS 80 3HZ LYS 80 2.066 0.556 -8.751 599 HZ2 LYS 80 1HZ LYS 80 0.426 0.355 -9.115 600 HZ3 LYS 80 2HZ LYS 80 1.439 -0.995 -9.001 601 H VAL 81 H VAL 81 -1.636 -0.916 -3.068 602 HA VAL 81 HA VAL 81 -0.124 -2.128 -0.893 603 HB VAL 81 HB VAL 81 -2.245 -0.759 -0.086 604 HG11 VAL 81 1HG1 VAL 81 -3.475 -3.445 -0.662 605 HG12 VAL 81 2HG1 VAL 81 -4.262 -2.006 -0.012 606 HG13 VAL 81 3HG1 VAL 81 -3.715 -2.032 -1.689 607 HG21 VAL 81 3HG2 VAL 81 -1.982 -1.846 1.880 608 HG22 VAL 81 1HG2 VAL 81 -2.151 -3.440 1.144 609 HG23 VAL 81 2HG2 VAL 81 -0.616 -2.578 1.039 610 H ARG 82 H ARG 82 -0.883 -4.409 -0.488 611 HA ARG 82 HA ARG 82 -2.409 -5.711 -2.535 612 HB2 ARG 82 1HB ARG 82 -0.650 -7.042 -3.504 613 HB3 ARG 82 2HB ARG 82 -0.230 -5.343 -3.680 614 HG2 ARG 82 1HG ARG 82 1.208 -5.581 -1.644 615 HG3 ARG 82 2HG ARG 82 0.907 -7.318 -1.720 616 HD2 ARG 82 1HD ARG 82 2.115 -5.674 -3.940 617 HD3 ARG 82 2HD ARG 82 3.035 -6.645 -2.791 618 HE ARG 82 HE ARG 82 1.147 -8.311 -3.978 619 HH11 ARG 82 1HH1 ARG 82 3.950 -6.464 -4.898 620 HH12 ARG 82 2HH1 ARG 82 4.384 -7.524 -6.198 621 HH21 ARG 82 1HH2 ARG 82 1.707 -9.714 -5.686 622 HH22 ARG 82 2HH2 ARG 82 3.106 -9.372 -6.646 623 H ALA 83 H ALA 83 -3.194 -7.623 -1.828 624 HA ALA 83 HA ALA 83 -2.604 -8.385 0.895 625 HB1 ALA 83 3HB ALA 83 -4.377 -10.136 -0.643 626 HB2 ALA 83 1HB ALA 83 -4.637 -9.327 0.903 627 HB3 ALA 83 2HB ALA 83 -4.875 -8.444 -0.606 628 H TRP 84 H TRP 84 -1.720 -10.309 1.593 629 HA TRP 84 HA TRP 84 -0.412 -11.942 -0.485 630 HB2 TRP 84 1HB TRP 84 0.578 -11.093 2.235 631 HB3 TRP 84 2HB TRP 84 1.302 -12.430 1.344 632 HD1 TRP 84 HD TRP 84 0.554 -8.663 0.742 633 HE1 TRP 84 1HE TRP 84 2.479 -7.695 -0.666 634 HE3 TRP 84 3HE TRP 84 3.263 -12.939 0.022 635 HZ2 TRP 84 2HZ TRP 84 4.833 -8.621 -1.917 636 HZ3 TRP 84 3HZ TRP 84 5.339 -12.812 -1.292 637 HH2 TRP 84 HH TRP 84 6.106 -10.697 -2.241 638 H THR 85 H THR 85 -0.437 -14.158 -0.269 639 HA THR 85 HA THR 85 -2.115 -15.222 1.910 640 HB THR 85 HB THR 85 -2.841 -17.001 0.321 641 HG1 THR 85 1HG THR 85 -1.026 -16.636 -1.159 642 HG21 THR 85 3HG2 THR 85 -3.636 -14.247 0.375 643 HG22 THR 85 1HG2 THR 85 -4.629 -15.684 0.142 644 HG23 THR 85 2HG2 THR 85 -3.875 -14.899 -1.245 645 H SER 86 H SER 86 -1.767 -17.611 2.261 646 HA SER 86 HA SER 86 0.780 -18.156 3.114 647 HB2 SER 86 1HB SER 86 0.116 -20.463 3.329 648 HB3 SER 86 2HB SER 86 -1.289 -19.460 3.685 649 HG SER 86 HG SER 86 -1.835 -19.799 1.388 650 H LYS 87 H LYS 87 -0.492 -18.391 -0.097 651 HA LYS 87 HA LYS 87 1.589 -20.070 -1.135 652 HB2 LYS 87 1HB LYS 87 -0.575 -18.398 -2.388 653 HB3 LYS 87 2HB LYS 87 0.657 -19.180 -3.370 654 HG2 LYS 87 1HG LYS 87 -0.933 -20.792 -3.438 655 HG3 LYS 87 2HG LYS 87 -0.099 -21.296 -1.967 656 HD2 LYS 87 1HD LYS 87 -1.763 -20.414 -0.582 657 HD3 LYS 87 2HD LYS 87 -2.417 -19.393 -1.865 658 HE2 LYS 87 1HE LYS 87 -2.493 -22.403 -1.938 659 HE3 LYS 87 2HE LYS 87 -3.794 -21.417 -1.271 660 HZ1 LYS 87 3HZ LYS 87 -3.884 -22.172 -3.730 661 HZ2 LYS 87 1HZ LYS 87 -2.818 -20.885 -3.994 662 HZ3 LYS 87 2HZ LYS 87 -4.345 -20.594 -3.329 663 H GLY 88 H GLY 88 0.780 -16.640 -1.738 664 HA2 GLY 88 1HA GLY 88 3.438 -15.734 -1.374 665 HA3 GLY 88 2HA GLY 88 3.122 -15.973 -3.087 666 H SER 89 H SER 89 2.687 -14.112 -4.046 667 HA SER 89 HA SER 89 0.980 -12.175 -2.623 668 HB2 SER 89 1HB SER 89 2.203 -10.418 -3.992 669 HB3 SER 89 2HB SER 89 3.153 -11.200 -2.729 670 HG SER 89 HG SER 89 3.152 -12.072 -5.423 671 H GLY 90 H GLY 90 -0.161 -10.648 -4.133 672 HA2 GLY 90 1HA GLY 90 -0.933 -12.048 -6.618 673 HA3 GLY 90 2HA GLY 90 -2.119 -11.303 -5.557 674 HA PRO 91 HA PRO 91 -1.461 -8.111 -8.704 675 HB2 PRO 91 1HB PRO 91 -3.850 -6.897 -8.270 676 HB3 PRO 91 2HB PRO 91 -3.674 -8.336 -9.281 677 HG2 PRO 91 1HG PRO 91 -4.574 -8.120 -6.435 678 HG3 PRO 91 2HG PRO 91 -5.241 -9.108 -7.747 679 HD2 PRO 91 1HD PRO 91 -3.602 -10.125 -5.847 680 HD3 PRO 91 2HD PRO 91 -3.624 -10.734 -7.515 681 H LEU 92 H LEU 92 -1.702 -5.675 -8.550 682 HA LEU 92 HA LEU 92 -1.020 -4.783 -5.825 683 HB2 LEU 92 1HB LEU 92 0.172 -4.202 -8.475 684 HB3 LEU 92 2HB LEU 92 0.093 -2.873 -7.320 685 HG LEU 92 HG LEU 92 1.328 -5.501 -6.568 686 HD11 LEU 92 1HD1 LEU 92 2.325 -4.536 -8.706 687 HD12 LEU 92 2HD1 LEU 92 3.431 -4.849 -7.369 688 HD13 LEU 92 3HD1 LEU 92 2.892 -3.203 -7.700 689 HD21 LEU 92 3HD2 LEU 92 1.032 -4.170 -4.685 690 HD22 LEU 92 1HD2 LEU 92 1.401 -2.682 -5.556 691 HD23 LEU 92 2HD2 LEU 92 2.692 -3.820 -5.168 692 H SER 93 H SER 93 -2.388 -3.391 -4.944 693 HA SER 93 HA SER 93 -4.689 -2.439 -6.188 694 HB2 SER 93 1HB SER 93 -5.161 -1.345 -4.193 695 HB3 SER 93 2HB SER 93 -4.024 -2.581 -3.654 696 HG SER 93 HG SER 93 -3.375 0.110 -4.291 697 HA PRO 94 HA PRO 94 -3.509 1.101 -8.498 698 HB2 PRO 94 1HB PRO 94 -5.681 2.697 -8.169 699 HB3 PRO 94 2HB PRO 94 -5.700 1.243 -9.174 700 HG2 PRO 94 1HG PRO 94 -6.679 1.620 -6.370 701 HG3 PRO 94 2HG PRO 94 -7.441 0.749 -7.714 702 HD2 PRO 94 1HD PRO 94 -6.079 -0.515 -5.744 703 HD3 PRO 94 2HD PRO 94 -6.128 -1.121 -7.412 704 H SER 95 H SER 95 -1.930 2.412 -7.828 705 HA SER 95 HA SER 95 -1.540 3.453 -5.310 706 HB2 SER 95 1HB SER 95 -0.284 5.336 -6.743 707 HB3 SER 95 2HB SER 95 0.353 3.701 -6.575 708 HG SER 95 HG SER 95 0.352 3.991 -8.713 709 H ILE 96 H ILE 96 -1.938 5.430 -4.313 710 HA ILE 96 HA ILE 96 -4.265 6.867 -5.376 711 HB ILE 96 HB ILE 96 -4.273 7.865 -2.998 712 HG12 ILE 96 1HG1 ILE 96 -2.580 5.406 -2.504 713 HG13 ILE 96 2HG1 ILE 96 -1.988 7.062 -2.429 714 HG21 ILE 96 1HG2 ILE 96 -5.823 6.305 -2.382 715 HG22 ILE 96 2HG2 ILE 96 -5.678 5.921 -4.096 716 HG23 ILE 96 3HG2 ILE 96 -4.826 4.946 -2.899 717 HD11 ILE 96 3HD1 ILE 96 -3.884 7.373 -0.683 718 HD12 ILE 96 1HD1 ILE 96 -3.806 5.615 -0.566 719 HD13 ILE 96 2HD1 ILE 96 -2.375 6.587 -0.219 720 H GLN 97 H GLN 97 -0.915 7.241 -4.586 721 HA GLN 97 HA GLN 97 0.555 8.954 -4.858 722 HB2 GLN 97 1HB GLN 97 -1.630 9.602 -6.761 723 HB3 GLN 97 2HB GLN 97 -0.494 10.892 -6.388 724 HG2 GLN 97 1HG GLN 97 1.240 9.862 -7.430 725 HG3 GLN 97 2HG GLN 97 0.630 8.244 -7.090 726 HE21 GLN 97 1HE2 GLN 97 0.292 7.237 -8.932 727 HE22 GLN 97 2HE2 GLN 97 -0.481 7.899 -10.328 728 H SER 98 H SER 98 -0.700 9.022 -2.487 729 HA SER 98 HA SER 98 -2.062 11.436 -1.905 730 HB2 SER 98 1HB SER 98 -1.908 9.221 -0.533 731 HB3 SER 98 2HB SER 98 -0.457 9.950 0.154 732 HG SER 98 HG SER 98 -1.909 11.827 0.559 733 H ARG 99 H ARG 99 -1.315 13.431 -1.630 734 HA ARG 99 HA ARG 99 1.575 13.858 -1.625 735 HB2 ARG 99 1HB ARG 99 0.226 15.094 -3.263 736 HB3 ARG 99 2HB ARG 99 -0.700 15.822 -1.957 737 HG2 ARG 99 1HG ARG 99 1.200 17.044 -1.192 738 HG3 ARG 99 2HG ARG 99 2.267 16.176 -2.297 739 HD2 ARG 99 1HD ARG 99 1.946 18.102 -3.486 740 HD3 ARG 99 2HD ARG 99 0.611 17.132 -4.108 741 HE ARG 99 HE ARG 99 -0.179 18.646 -1.836 742 HH11 ARG 99 1HH1 ARG 99 0.478 18.893 -5.246 743 HH12 ARG 99 2HH1 ARG 99 -0.574 20.249 -5.483 744 HH21 ARG 99 1HH2 ARG 99 -1.567 20.432 -2.136 745 HH22 ARG 99 2HH2 ARG 99 -1.735 21.124 -3.713 746 H THR 100 H THR 100 2.531 13.962 0.292 747 HA THR 100 HA THR 100 1.449 14.140 2.774 748 HB THR 100 HB THR 100 3.616 15.153 3.544 749 HG1 THR 100 1HG THR 100 3.917 15.403 0.756 750 HG21 THR 100 3HG2 THR 100 5.000 13.232 2.861 751 HG22 THR 100 1HG2 THR 100 3.802 12.819 1.636 752 HG23 THR 100 2HG2 THR 100 3.378 12.739 3.346 753 H MET 101 H MET 101 1.630 15.960 4.386 754 HA MET 101 HA MET 101 0.104 18.186 3.430 755 HB2 MET 101 1HB MET 101 -0.286 18.686 5.637 756 HB3 MET 101 2HB MET 101 0.105 16.977 5.775 757 HG2 MET 101 1HG MET 101 2.445 17.621 6.312 758 HG3 MET 101 2HG MET 101 1.925 19.305 6.329 759 HE1 MET 101 3HE MET 101 -0.572 19.407 9.295 760 HE2 MET 101 1HE MET 101 -0.072 20.127 7.764 761 HE3 MET 101 2HE MET 101 -1.146 18.729 7.771 762 HA PRO 102 HA PRO 102 3.426 20.913 2.446 763 HB2 PRO 102 1HB PRO 102 2.057 23.256 2.542 764 HB3 PRO 102 2HB PRO 102 1.884 22.095 1.220 765 HG2 PRO 102 1HG PRO 102 0.125 22.528 3.604 766 HG3 PRO 102 2HG PRO 102 -0.330 22.256 1.912 767 HD2 PRO 102 1HD PRO 102 -0.401 20.291 3.774 768 HD3 PRO 102 2HD PRO 102 -0.031 19.975 2.067 769 H VAL 103 H VAL 103 4.814 20.792 4.203 770 HA VAL 103 HA VAL 103 4.429 21.588 6.796 771 HB VAL 103 HB VAL 103 6.467 20.469 6.087 772 HG11 VAL 103 1HG1 VAL 103 8.024 22.650 5.136 773 HG12 VAL 103 2HG1 VAL 103 7.618 21.143 4.313 774 HG13 VAL 103 3HG1 VAL 103 6.559 22.545 4.161 775 HG21 VAL 103 3HG2 VAL 103 8.100 22.326 7.144 776 HG22 VAL 103 1HG2 VAL 103 6.537 22.982 7.632 777 HG23 VAL 103 2HG2 VAL 103 6.993 21.345 8.105 Start of MODEL 18 1 H1 GLY 1 H GLY 1 10.407 -14.324 -14.846 2 HA2 GLY 1 1HA GLY 1 8.345 -15.329 -14.794 3 HA3 GLY 1 2HA GLY 1 9.211 -16.856 -14.720 4 H SER 2 H SER 2 9.247 -14.219 -12.362 5 HA SER 2 HA SER 2 9.192 -15.688 -10.083 6 HB2 SER 2 1HB SER 2 7.615 -13.129 -10.434 7 HB3 SER 2 2HB SER 2 8.295 -13.759 -8.934 8 HG SER 2 HG SER 2 10.356 -13.637 -10.366 9 H SER 3 H SER 3 7.502 -16.203 -8.537 10 HA SER 3 HA SER 3 5.582 -17.905 -9.413 11 HB2 SER 3 1HB SER 3 6.127 -17.754 -7.062 12 HB3 SER 3 2HB SER 3 5.468 -16.121 -6.971 13 HG SER 3 HG SER 3 3.430 -16.932 -7.236 14 H GLY 4 H GLY 4 3.329 -17.822 -9.772 15 HA2 GLY 4 1HA GLY 4 2.013 -15.249 -9.980 16 HA3 GLY 4 2HA GLY 4 2.331 -16.033 -11.521 17 H SER 5 H SER 5 1.871 -18.684 -10.870 18 HA SER 5 HA SER 5 -0.856 -18.945 -11.226 19 HB2 SER 5 1HB SER 5 0.919 -20.712 -11.606 20 HB3 SER 5 2HB SER 5 0.870 -21.024 -9.871 21 HG SER 5 HG SER 5 -0.534 -22.339 -11.321 22 H SER 6 H SER 6 0.979 -19.374 -8.205 23 HA SER 6 HA SER 6 -1.438 -19.625 -6.651 24 HB2 SER 6 1HB SER 6 1.459 -19.402 -5.799 25 HB3 SER 6 2HB SER 6 0.111 -19.746 -4.714 26 HG SER 6 HG SER 6 0.127 -21.742 -5.365 27 H GLY 7 H GLY 7 -1.526 -18.248 -4.555 28 HA2 GLY 7 1HA GLY 7 -1.267 -16.122 -3.524 29 HA3 GLY 7 2HA GLY 7 -0.749 -15.466 -5.070 30 HA PRO 8 HA PRO 8 -5.331 -14.617 -4.161 31 HB2 PRO 8 1HB PRO 8 -5.121 -11.955 -3.667 32 HB3 PRO 8 2HB PRO 8 -5.008 -13.180 -2.397 33 HG2 PRO 8 1HG PRO 8 -2.816 -11.718 -3.819 34 HG3 PRO 8 2HG PRO 8 -2.975 -12.091 -2.093 35 HD2 PRO 8 1HD PRO 8 -1.399 -13.533 -3.756 36 HD3 PRO 8 2HD PRO 8 -2.230 -14.256 -2.364 37 H SER 9 H SER 9 -6.654 -13.934 -5.770 38 HA SER 9 HA SER 9 -5.370 -12.696 -8.104 39 HB2 SER 9 1HB SER 9 -7.082 -13.683 -9.453 40 HB3 SER 9 2HB SER 9 -6.526 -14.936 -8.343 41 HG SER 9 HG SER 9 -8.797 -13.300 -7.880 42 H GLY 10 H GLY 10 -6.270 -11.206 -5.748 43 HA2 GLY 10 1HA GLY 10 -7.869 -9.235 -7.163 44 HA3 GLY 10 2HA GLY 10 -8.628 -9.939 -5.742 45 H PHE 11 H PHE 11 -8.277 -7.280 -5.746 46 HA PHE 11 HA PHE 11 -6.054 -6.904 -3.853 47 HB2 PHE 11 1HB PHE 11 -5.994 -4.502 -4.713 48 HB3 PHE 11 2HB PHE 11 -5.350 -5.738 -5.789 49 HD1 PHE 11 2HD PHE 11 -6.869 -6.616 -7.632 50 HD2 PHE 11 1HD PHE 11 -7.687 -3.073 -5.420 51 HE1 PHE 11 2HE PHE 11 -8.390 -5.860 -9.412 52 HE2 PHE 11 1HE PHE 11 -9.210 -2.312 -7.196 53 HZ PHE 11 HZ PHE 11 -9.562 -3.705 -9.196 54 HA PRO 12 HA PRO 12 -8.982 -5.308 -1.001 55 HB2 PRO 12 1HB PRO 12 -7.504 -3.436 0.297 56 HB3 PRO 12 2HB PRO 12 -7.260 -5.173 0.514 57 HG2 PRO 12 1HG PRO 12 -5.734 -3.245 -1.193 58 HG3 PRO 12 2HG PRO 12 -5.123 -4.544 -0.152 59 HD2 PRO 12 1HD PRO 12 -5.350 -4.815 -2.836 60 HD3 PRO 12 2HD PRO 12 -5.561 -6.177 -1.717 61 H GLN 13 H GLN 13 -9.825 -3.129 -0.111 62 HA GLN 13 HA GLN 13 -9.810 -1.059 -2.190 63 HB2 GLN 13 1HB GLN 13 -12.375 -1.802 -0.825 64 HB3 GLN 13 2HB GLN 13 -12.137 -0.925 -2.331 65 HG2 GLN 13 1HG GLN 13 -11.267 -3.766 -2.159 66 HG3 GLN 13 2HG GLN 13 -12.982 -3.397 -2.331 67 HE21 GLN 13 1HE2 GLN 13 -12.291 -4.743 -4.328 68 HE22 GLN 13 2HE2 GLN 13 -11.900 -3.816 -5.732 69 H ASN 14 H ASN 14 -11.273 0.866 -1.257 70 HA ASN 14 HA ASN 14 -11.413 2.567 0.247 71 HB2 ASN 14 1HB ASN 14 -11.378 0.148 1.980 72 HB3 ASN 14 2HB ASN 14 -11.102 1.703 2.759 73 HD21 ASN 14 1HD2 ASN 14 -13.224 0.518 0.170 74 HD22 ASN 14 2HD2 ASN 14 -14.681 1.161 0.840 75 H LEU 15 H LEU 15 -8.843 1.770 -0.909 76 HA LEU 15 HA LEU 15 -6.841 2.180 1.113 77 HB2 LEU 15 1HB LEU 15 -6.534 0.827 -0.980 78 HB3 LEU 15 2HB LEU 15 -6.516 2.345 -1.876 79 HG LEU 15 HG LEU 15 -4.521 3.015 -0.497 80 HD11 LEU 15 1HD1 LEU 15 -4.571 1.662 1.392 81 HD12 LEU 15 2HD1 LEU 15 -3.280 0.956 0.421 82 HD13 LEU 15 3HD1 LEU 15 -4.872 0.197 0.457 83 HD21 LEU 15 3HD2 LEU 15 -4.036 0.492 -2.055 84 HD22 LEU 15 1HD2 LEU 15 -2.998 1.909 -1.903 85 HD23 LEU 15 2HD2 LEU 15 -4.493 2.008 -2.833 86 H HIS 16 H HIS 16 -6.439 4.091 1.988 87 HA HIS 16 HA HIS 16 -5.881 6.393 0.411 88 HB2 HIS 16 1HB HIS 16 -7.693 7.815 1.512 89 HB3 HIS 16 2HB HIS 16 -8.215 6.728 0.228 90 HD1 HIS 16 1HD HIS 16 -10.043 5.126 0.792 91 HD2 HIS 16 2HD HIS 16 -8.312 6.799 4.178 92 HE1 HIS 16 1HE HIS 16 -11.459 4.355 2.722 93 HE2 HIS 16 2HE HIS 16 -10.442 5.449 4.750 94 H VAL 17 H VAL 17 -5.906 8.416 2.088 95 HA VAL 17 HA VAL 17 -4.360 7.456 4.402 96 HB VAL 17 HB VAL 17 -4.246 10.155 3.047 97 HG11 VAL 17 1HG1 VAL 17 -3.202 9.140 5.578 98 HG12 VAL 17 2HG1 VAL 17 -1.972 9.876 4.549 99 HG13 VAL 17 3HG1 VAL 17 -3.401 10.800 5.016 100 HG21 VAL 17 3HG2 VAL 17 -3.324 8.371 1.651 101 HG22 VAL 17 1HG2 VAL 17 -2.053 9.442 2.242 102 HG23 VAL 17 2HG2 VAL 17 -2.288 7.859 2.983 103 H THR 18 H THR 18 -5.177 7.745 6.363 104 HA THR 18 HA THR 18 -7.597 9.308 6.699 105 HB THR 18 HB THR 18 -7.478 7.106 7.755 106 HG1 THR 18 1HG THR 18 -7.425 9.159 9.732 107 HG21 THR 18 3HG2 THR 18 -5.160 8.300 9.273 108 HG22 THR 18 1HG2 THR 18 -5.133 6.896 8.207 109 HG23 THR 18 2HG2 THR 18 -5.987 6.817 9.748 110 H GLY 19 H GLY 19 -4.241 9.728 7.135 111 HA2 GLY 19 1HA GLY 19 -4.542 12.413 7.999 112 HA3 GLY 19 2HA GLY 19 -4.074 11.395 9.353 113 H LEU 20 H LEU 20 -3.126 12.378 6.088 114 HA LEU 20 HA LEU 20 -0.540 11.251 6.158 115 HB2 LEU 20 1HB LEU 20 -0.205 12.246 4.134 116 HB3 LEU 20 2HB LEU 20 -1.966 12.250 4.198 117 HG LEU 20 HG LEU 20 -0.094 14.569 4.625 118 HD11 LEU 20 1HD1 LEU 20 -0.534 15.024 2.503 119 HD12 LEU 20 2HD1 LEU 20 -2.263 15.057 2.851 120 HD13 LEU 20 3HD1 LEU 20 -1.486 13.544 2.386 121 HD21 LEU 20 3HD2 LEU 20 -1.612 15.162 6.204 122 HD22 LEU 20 1HD2 LEU 20 -2.891 14.164 5.512 123 HD23 LEU 20 2HD2 LEU 20 -2.493 15.719 4.781 124 H THR 21 H THR 21 1.461 12.718 5.922 125 HA THR 21 HA THR 21 1.382 15.008 7.739 126 HB THR 21 HB THR 21 3.616 13.062 8.121 127 HG1 THR 21 1HG THR 21 2.130 11.624 8.664 128 HG21 THR 21 3HG2 THR 21 3.638 13.999 10.356 129 HG22 THR 21 1HG2 THR 21 2.156 14.895 10.026 130 HG23 THR 21 2HG2 THR 21 3.643 15.304 9.170 131 H THR 22 H THR 22 3.302 16.349 7.622 132 HA THR 22 HA THR 22 4.090 17.057 5.109 133 HB THR 22 HB THR 22 6.124 18.099 6.169 134 HG1 THR 22 1HG THR 22 5.085 17.359 8.672 135 HG21 THR 22 3HG2 THR 22 3.937 19.247 6.047 136 HG22 THR 22 1HG2 THR 22 4.864 19.710 7.473 137 HG23 THR 22 2HG2 THR 22 3.521 18.577 7.624 138 H SER 23 H SER 23 5.883 14.915 7.316 139 HA SER 23 HA SER 23 7.594 14.111 5.071 140 HB2 SER 23 1HB SER 23 8.420 14.876 7.473 141 HB3 SER 23 2HB SER 23 8.106 13.185 7.866 142 HG SER 23 HG SER 23 9.772 14.123 5.766 143 H THR 24 H THR 24 5.554 12.780 7.642 144 HA THR 24 HA THR 24 5.733 10.118 6.450 145 HB THR 24 HB THR 24 4.696 9.269 8.415 146 HG1 THR 24 1HG THR 24 4.299 11.809 9.544 147 HG21 THR 24 3HG2 THR 24 6.986 9.759 8.832 148 HG22 THR 24 1HG2 THR 24 6.091 10.299 10.252 149 HG23 THR 24 2HG2 THR 24 6.647 11.474 9.059 150 H THR 25 H THR 25 3.588 8.865 6.449 151 HA THR 25 HA THR 25 1.258 10.471 5.799 152 HB THR 25 HB THR 25 2.756 8.872 3.749 153 HG1 THR 25 1HG THR 25 1.285 11.196 3.219 154 HG21 THR 25 3HG2 THR 25 -0.196 9.509 3.675 155 HG22 THR 25 1HG2 THR 25 0.514 7.900 3.799 156 HG23 THR 25 2HG2 THR 25 0.748 8.857 2.336 157 H GLU 26 H GLU 26 -0.338 9.529 6.876 158 HA GLU 26 HA GLU 26 -0.200 6.783 7.700 159 HB2 GLU 26 1HB GLU 26 -2.265 8.951 8.030 160 HB3 GLU 26 2HB GLU 26 -2.551 7.305 8.578 161 HG2 GLU 26 1HG GLU 26 -0.453 7.507 9.943 162 HG3 GLU 26 2HG GLU 26 -0.445 9.222 9.534 163 H LEU 27 H LEU 27 -1.963 5.235 7.317 164 HA LEU 27 HA LEU 27 -3.434 5.615 4.823 165 HB2 LEU 27 1HB LEU 27 -1.686 3.212 5.326 166 HB3 LEU 27 2HB LEU 27 -2.699 3.495 3.912 167 HG LEU 27 HG LEU 27 -0.304 5.167 4.669 168 HD11 LEU 27 1HD1 LEU 27 0.648 4.032 2.590 169 HD12 LEU 27 2HD1 LEU 27 -0.616 2.825 2.821 170 HD13 LEU 27 3HD1 LEU 27 0.591 3.089 4.079 171 HD21 LEU 27 3HD2 LEU 27 -2.415 5.867 3.100 172 HD22 LEU 27 1HD2 LEU 27 -1.315 5.156 1.918 173 HD23 LEU 27 2HD2 LEU 27 -0.777 6.499 2.927 174 H ALA 28 H ALA 28 -5.055 3.888 4.469 175 HA ALA 28 HA ALA 28 -5.737 2.102 6.581 176 HB1 ALA 28 3HB ALA 28 -7.999 3.299 6.982 177 HB2 ALA 28 1HB ALA 28 -6.562 3.864 7.834 178 HB3 ALA 28 2HB ALA 28 -7.146 4.734 6.415 179 H TRP 29 H TRP 29 -6.199 0.467 5.235 180 HA TRP 29 HA TRP 29 -8.290 0.924 3.212 181 HB2 TRP 29 1HB TRP 29 -7.194 -0.720 1.762 182 HB3 TRP 29 2HB TRP 29 -6.110 0.621 2.121 183 HD1 TRP 29 HD TRP 29 -6.529 -3.119 2.671 184 HE1 TRP 29 1HE TRP 29 -4.350 -4.067 3.659 185 HE3 TRP 29 3HE TRP 29 -4.083 1.272 3.607 186 HZ2 TRP 29 2HZ TRP 29 -1.916 -3.084 4.699 187 HZ3 TRP 29 3HZ TRP 29 -1.834 1.181 4.600 188 HH2 TRP 29 HH TRP 29 -0.775 -0.953 5.134 189 H ASP 30 H ASP 30 -9.081 -1.404 2.443 190 HA ASP 30 HA ASP 30 -9.596 -2.986 4.875 191 HB2 ASP 30 1HB ASP 30 -11.465 -1.911 2.825 192 HB3 ASP 30 2HB ASP 30 -11.803 -3.519 3.461 193 HA PRO 31 HA PRO 31 -8.344 -6.609 2.745 194 HB2 PRO 31 1HB PRO 31 -10.143 -8.456 3.597 195 HB3 PRO 31 2HB PRO 31 -8.874 -7.798 4.638 196 HG2 PRO 31 1HG PRO 31 -11.765 -7.039 4.464 197 HG3 PRO 31 2HG PRO 31 -10.753 -7.267 5.902 198 HD2 PRO 31 1HD PRO 31 -11.335 -4.818 4.902 199 HD3 PRO 31 2HD PRO 31 -9.797 -5.178 5.714 200 HA PRO 32 HA PRO 32 -10.586 -7.288 -0.977 201 HB2 PRO 32 1HB PRO 32 -10.044 -9.894 -1.511 202 HB3 PRO 32 2HB PRO 32 -8.841 -8.610 -1.673 203 HG2 PRO 32 1HG PRO 32 -9.247 -10.553 0.568 204 HG3 PRO 32 2HG PRO 32 -7.735 -10.016 -0.188 205 HD2 PRO 32 1HD PRO 32 -8.617 -9.023 2.171 206 HD3 PRO 32 2HD PRO 32 -7.684 -8.051 1.015 207 H VAL 33 H VAL 33 -12.652 -7.673 -1.500 208 HA VAL 33 HA VAL 33 -14.548 -8.626 0.258 209 HB VAL 33 HB VAL 33 -16.046 -8.903 -1.713 210 HG11 VAL 33 1HG1 VAL 33 -14.725 -6.345 -2.296 211 HG12 VAL 33 2HG1 VAL 33 -16.384 -6.681 -1.795 212 HG13 VAL 33 3HG1 VAL 33 -15.094 -6.623 -0.594 213 HG21 VAL 33 3HG2 VAL 33 -14.379 -7.743 -3.705 214 HG22 VAL 33 1HG2 VAL 33 -13.578 -9.183 -3.076 215 HG23 VAL 33 2HG2 VAL 33 -15.211 -9.297 -3.732 216 H LEU 34 H LEU 34 -15.237 -10.572 0.893 217 HA LEU 34 HA LEU 34 -13.931 -12.898 0.714 218 HB2 LEU 34 1HB LEU 34 -15.893 -14.045 1.327 219 HB3 LEU 34 2HB LEU 34 -16.044 -12.421 1.995 220 HG LEU 34 HG LEU 34 -17.321 -13.090 -0.628 221 HD11 LEU 34 1HD1 LEU 34 -19.247 -13.298 1.427 222 HD12 LEU 34 2HD1 LEU 34 -17.920 -14.384 1.837 223 HD13 LEU 34 3HD1 LEU 34 -18.733 -14.535 0.280 224 HD21 LEU 34 3HD2 LEU 34 -17.109 -10.744 0.369 225 HD22 LEU 34 1HD2 LEU 34 -18.301 -11.278 1.554 226 HD23 LEU 34 2HD2 LEU 34 -18.708 -11.265 -0.162 227 H ALA 35 H ALA 35 -15.995 -11.566 -1.781 228 HA ALA 35 HA ALA 35 -16.230 -13.842 -3.411 229 HB1 ALA 35 3HB ALA 35 -17.268 -11.361 -3.502 230 HB2 ALA 35 1HB ALA 35 -16.052 -11.234 -4.773 231 HB3 ALA 35 2HB ALA 35 -17.295 -12.483 -4.862 232 H GLU 36 H GLU 36 -13.864 -11.186 -3.465 233 HA GLU 36 HA GLU 36 -12.267 -12.664 -5.421 234 HB2 GLU 36 1HB GLU 36 -12.294 -9.824 -4.463 235 HB3 GLU 36 2HB GLU 36 -10.859 -10.471 -5.247 236 HG2 GLU 36 1HG GLU 36 -13.621 -10.225 -6.405 237 HG3 GLU 36 2HG GLU 36 -12.168 -9.354 -6.890 238 H ARG 37 H ARG 37 -11.803 -14.280 -3.703 239 HA ARG 37 HA ARG 37 -9.348 -13.523 -2.305 240 HB2 ARG 37 1HB ARG 37 -11.825 -14.645 -1.043 241 HB3 ARG 37 2HB ARG 37 -10.247 -15.033 -0.372 242 HG2 ARG 37 1HG ARG 37 -9.788 -12.647 -0.080 243 HG3 ARG 37 2HG ARG 37 -11.382 -12.268 -0.735 244 HD2 ARG 37 1HD ARG 37 -11.872 -12.224 1.492 245 HD3 ARG 37 2HD ARG 37 -12.161 -13.932 1.165 246 HE ARG 37 HE ARG 37 -9.465 -13.404 1.958 247 HH11 ARG 37 1HH1 ARG 37 -12.704 -13.921 3.124 248 HH12 ARG 37 2HH1 ARG 37 -12.193 -14.503 4.673 249 HH21 ARG 37 1HH2 ARG 37 -8.779 -14.169 3.994 250 HH22 ARG 37 2HH2 ARG 37 -9.960 -14.643 5.168 251 H ASN 38 H ASN 38 -7.815 -14.877 -2.937 252 HA ASN 38 HA ASN 38 -8.532 -17.488 -4.007 253 HB2 ASN 38 1HB ASN 38 -6.794 -15.716 -4.956 254 HB3 ASN 38 2HB ASN 38 -5.700 -16.559 -3.863 255 HD21 ASN 38 1HD2 ASN 38 -6.713 -16.441 -6.940 256 HD22 ASN 38 2HD2 ASN 38 -6.421 -18.074 -7.424 257 H GLY 39 H GLY 39 -8.779 -17.024 -1.154 258 HA2 GLY 39 1HA GLY 39 -8.265 -19.209 0.125 259 HA3 GLY 39 2HA GLY 39 -6.600 -18.681 -0.074 260 H ARG 40 H ARG 40 -5.754 -17.523 1.523 261 HA ARG 40 HA ARG 40 -7.540 -15.914 3.210 262 HB2 ARG 40 1HB ARG 40 -6.375 -16.679 5.225 263 HB3 ARG 40 2HB ARG 40 -7.142 -18.021 4.386 264 HG2 ARG 40 1HG ARG 40 -4.929 -18.550 3.363 265 HG3 ARG 40 2HG ARG 40 -4.219 -17.316 4.405 266 HD2 ARG 40 1HD ARG 40 -5.714 -19.770 5.320 267 HD3 ARG 40 2HD ARG 40 -3.967 -19.542 5.373 268 HE ARG 40 HE ARG 40 -5.365 -17.489 6.779 269 HH11 ARG 40 1HH1 ARG 40 -4.209 -20.765 7.009 270 HH12 ARG 40 2HH1 ARG 40 -4.090 -20.740 8.737 271 HH21 ARG 40 1HH2 ARG 40 -5.214 -17.444 9.054 272 HH22 ARG 40 2HH2 ARG 40 -4.663 -18.851 9.900 273 H ILE 41 H ILE 41 -6.308 -14.355 4.587 274 HA ILE 41 HA ILE 41 -3.968 -13.357 3.102 275 HB ILE 41 HB ILE 41 -5.631 -11.651 4.927 276 HG12 ILE 41 1HG1 ILE 41 -7.257 -12.547 3.408 277 HG13 ILE 41 2HG1 ILE 41 -6.872 -10.918 2.866 278 HG21 ILE 41 1HG2 ILE 41 -4.004 -10.233 4.365 279 HG22 ILE 41 2HG2 ILE 41 -3.426 -11.282 3.072 280 HG23 ILE 41 3HG2 ILE 41 -4.760 -10.169 2.773 281 HD11 ILE 41 3HD1 ILE 41 -6.945 -12.190 0.919 282 HD12 ILE 41 1HD1 ILE 41 -5.224 -12.034 1.271 283 HD13 ILE 41 2HD1 ILE 41 -6.071 -13.533 1.653 284 H ILE 42 H ILE 42 -2.140 -12.712 4.198 285 HA ILE 42 HA ILE 42 -2.067 -13.361 7.073 286 HB ILE 42 HB ILE 42 0.392 -13.852 6.681 287 HG12 ILE 42 1HG1 ILE 42 -0.575 -13.838 3.816 288 HG13 ILE 42 2HG1 ILE 42 0.687 -12.830 4.515 289 HG21 ILE 42 1HG2 ILE 42 -0.026 -16.104 6.303 290 HG22 ILE 42 2HG2 ILE 42 -1.573 -15.510 6.904 291 HG23 ILE 42 3HG2 ILE 42 -1.341 -15.773 5.176 292 HD11 ILE 42 3HD1 ILE 42 0.792 -15.810 4.118 293 HD12 ILE 42 1HD1 ILE 42 1.662 -14.588 3.190 294 HD13 ILE 42 2HD1 ILE 42 2.046 -14.842 4.892 295 H SER 43 H SER 43 -1.002 -11.213 4.517 296 HA SER 43 HA SER 43 -0.771 -9.006 6.283 297 HB2 SER 43 1HB SER 43 1.418 -10.483 6.552 298 HB3 SER 43 2HB SER 43 1.889 -9.636 5.079 299 HG SER 43 HG SER 43 1.829 -7.731 6.138 300 H TYR 44 H TYR 44 0.346 -7.101 5.075 301 HA TYR 44 HA TYR 44 -0.167 -7.303 2.188 302 HB2 TYR 44 1HB TYR 44 -1.117 -5.060 3.982 303 HB3 TYR 44 2HB TYR 44 -1.283 -5.111 2.230 304 HD1 TYR 44 2HD TYR 44 -2.092 -7.276 5.175 305 HD2 TYR 44 1HD TYR 44 -3.343 -5.732 1.412 306 HE1 TYR 44 2HE TYR 44 -4.245 -8.440 5.419 307 HE2 TYR 44 1HE TYR 44 -5.500 -6.891 1.647 308 HH TYR 44 HH TYR 44 -6.863 -7.963 3.121 309 H THR 45 H THR 45 0.957 -5.779 0.889 310 HA THR 45 HA THR 45 3.323 -4.636 2.223 311 HB THR 45 HB THR 45 3.009 -5.734 -0.572 312 HG1 THR 45 1HG THR 45 3.757 -7.417 0.472 313 HG21 THR 45 3HG2 THR 45 5.252 -5.018 -1.050 314 HG22 THR 45 1HG2 THR 45 5.444 -4.370 0.579 315 HG23 THR 45 2HG2 THR 45 4.320 -3.608 -0.547 316 H VAL 46 H VAL 46 3.223 -2.501 2.400 317 HA VAL 46 HA VAL 46 1.586 -0.946 0.562 318 HB VAL 46 HB VAL 46 3.076 -0.153 3.065 319 HG11 VAL 46 1HG1 VAL 46 3.064 1.756 1.638 320 HG12 VAL 46 2HG1 VAL 46 1.375 1.493 1.202 321 HG13 VAL 46 3HG1 VAL 46 1.796 1.988 2.842 322 HG21 VAL 46 3HG2 VAL 46 0.136 0.063 2.821 323 HG22 VAL 46 1HG2 VAL 46 0.808 -1.563 2.938 324 HG23 VAL 46 2HG2 VAL 46 1.130 -0.383 4.208 325 H VAL 47 H VAL 47 2.636 -0.691 -1.346 326 HA VAL 47 HA VAL 47 5.451 0.049 -1.379 327 HB VAL 47 HB VAL 47 3.664 -0.178 -3.790 328 HG11 VAL 47 1HG1 VAL 47 6.321 -1.157 -4.134 329 HG12 VAL 47 2HG1 VAL 47 5.536 0.215 -4.917 330 HG13 VAL 47 3HG1 VAL 47 6.391 0.440 -3.390 331 HG21 VAL 47 3HG2 VAL 47 4.843 -2.568 -3.784 332 HG22 VAL 47 1HG2 VAL 47 4.738 -2.316 -2.042 333 HG23 VAL 47 2HG2 VAL 47 3.276 -2.285 -3.027 334 H PHE 48 H PHE 48 5.967 2.113 -1.107 335 HA PHE 48 HA PHE 48 4.259 4.160 -2.362 336 HB2 PHE 48 1HB PHE 48 4.924 5.693 -0.539 337 HB3 PHE 48 2HB PHE 48 4.051 4.286 0.061 338 HD1 PHE 48 2HD PHE 48 5.556 2.285 0.828 339 HD2 PHE 48 1HD PHE 48 6.884 6.315 0.488 340 HE1 PHE 48 2HE PHE 48 7.400 1.806 2.384 341 HE2 PHE 48 1HE PHE 48 8.731 5.841 2.043 342 HZ PHE 48 HZ PHE 48 8.990 3.585 2.994 343 H ARG 49 H ARG 49 5.224 5.523 -3.737 344 HA ARG 49 HA ARG 49 8.102 5.953 -3.599 345 HB2 ARG 49 1HB ARG 49 8.174 4.154 -5.092 346 HB3 ARG 49 2HB ARG 49 6.680 4.631 -5.887 347 HG2 ARG 49 1HG ARG 49 7.835 6.561 -6.869 348 HG3 ARG 49 2HG ARG 49 9.335 6.035 -6.101 349 HD2 ARG 49 1HD ARG 49 9.284 5.324 -8.419 350 HD3 ARG 49 2HD ARG 49 9.214 3.924 -7.350 351 HE ARG 49 HE ARG 49 7.120 3.452 -8.154 352 HH11 ARG 49 1HH1 ARG 49 8.013 6.684 -9.089 353 HH12 ARG 49 2HH1 ARG 49 6.658 6.893 -10.148 354 HH21 ARG 49 1HH2 ARG 49 5.332 3.714 -9.545 355 HH22 ARG 49 2HH2 ARG 49 5.133 5.203 -10.406 356 H ASP 50 H ASP 50 8.820 7.786 -4.821 357 HA ASP 50 HA ASP 50 6.774 9.833 -5.010 358 HB2 ASP 50 1HB ASP 50 9.024 11.129 -5.725 359 HB3 ASP 50 2HB ASP 50 8.567 10.850 -4.047 360 H ILE 51 H ILE 51 5.631 9.923 -6.831 361 HA ILE 51 HA ILE 51 6.383 8.878 -9.309 362 HB ILE 51 HB ILE 51 4.537 10.191 -10.264 363 HG12 ILE 51 1HG1 ILE 51 4.081 11.343 -7.518 364 HG13 ILE 51 2HG1 ILE 51 5.036 12.193 -8.728 365 HG21 ILE 51 1HG2 ILE 51 3.955 8.117 -9.247 366 HG22 ILE 51 2HG2 ILE 51 3.994 8.829 -7.635 367 HG23 ILE 51 3HG2 ILE 51 2.732 9.297 -8.775 368 HD11 ILE 51 3HD1 ILE 51 3.138 12.276 -10.214 369 HD12 ILE 51 1HD1 ILE 51 2.176 11.329 -9.080 370 HD13 ILE 51 2HD1 ILE 51 2.708 12.954 -8.644 371 H ASN 52 H ASN 52 7.251 11.827 -7.781 372 HA ASN 52 HA ASN 52 8.088 13.077 -10.279 373 HB2 ASN 52 1HB ASN 52 8.193 14.065 -7.421 374 HB3 ASN 52 2HB ASN 52 8.702 15.000 -8.824 375 HD21 ASN 52 1HD2 ASN 52 6.020 13.701 -7.060 376 HD22 ASN 52 2HD2 ASN 52 4.784 14.582 -7.886 377 H SER 53 H SER 53 9.328 10.865 -8.174 378 HA SER 53 HA SER 53 12.072 11.519 -8.982 379 HB2 SER 53 1HB SER 53 11.032 11.194 -6.217 380 HB3 SER 53 2HB SER 53 12.592 10.454 -6.573 381 HG SER 53 HG SER 53 11.885 13.176 -6.966 382 H GLN 54 H GLN 54 13.521 9.522 -8.224 383 HA GLN 54 HA GLN 54 12.139 7.123 -9.225 384 HB2 GLN 54 1HB GLN 54 14.409 6.350 -9.915 385 HB3 GLN 54 2HB GLN 54 13.873 7.808 -10.739 386 HG2 GLN 54 1HG GLN 54 15.287 9.176 -9.393 387 HG3 GLN 54 2HG GLN 54 15.692 7.817 -8.345 388 HE21 GLN 54 1HE2 GLN 54 17.854 7.785 -8.672 389 HE22 GLN 54 2HE2 GLN 54 18.598 7.444 -10.193 390 H GLN 55 H GLN 55 12.125 7.953 -6.463 391 HA GLN 55 HA GLN 55 13.888 5.989 -5.186 392 HB2 GLN 55 1HB GLN 55 14.039 8.153 -4.180 393 HB3 GLN 55 2HB GLN 55 12.289 8.296 -4.081 394 HG2 GLN 55 1HG GLN 55 13.298 7.828 -1.909 395 HG3 GLN 55 2HG GLN 55 12.204 6.544 -2.420 396 HE21 GLN 55 1HE2 GLN 55 13.105 4.575 -3.180 397 HE22 GLN 55 2HE2 GLN 55 14.691 4.087 -2.700 398 H GLU 56 H GLU 56 12.958 4.026 -5.264 399 HA GLU 56 HA GLU 56 10.098 3.752 -4.768 400 HB2 GLU 56 1HB GLU 56 11.335 2.517 -6.622 401 HB3 GLU 56 2HB GLU 56 12.056 1.536 -5.354 402 HG2 GLU 56 1HG GLU 56 9.915 0.703 -4.689 403 HG3 GLU 56 2HG GLU 56 9.092 1.816 -5.781 404 H LEU 57 H LEU 57 9.215 2.656 -3.046 405 HA LEU 57 HA LEU 57 10.936 1.429 -1.061 406 HB2 LEU 57 1HB LEU 57 9.144 3.723 -0.288 407 HB3 LEU 57 2HB LEU 57 10.216 2.806 0.769 408 HG LEU 57 HG LEU 57 11.261 4.462 -1.512 409 HD11 LEU 57 1HD1 LEU 57 9.822 5.732 0.218 410 HD12 LEU 57 2HD1 LEU 57 11.425 6.349 -0.181 411 HD13 LEU 57 3HD1 LEU 57 11.175 5.444 1.312 412 HD21 LEU 57 3HD2 LEU 57 12.504 2.609 0.001 413 HD22 LEU 57 1HD2 LEU 57 12.768 4.049 0.984 414 HD23 LEU 57 2HD2 LEU 57 13.312 4.015 -0.693 415 H GLN 58 H GLN 58 9.814 0.112 0.425 416 HA GLN 58 HA GLN 58 6.927 -0.145 0.095 417 HB2 GLN 58 1HB GLN 58 8.888 -2.389 -0.396 418 HB3 GLN 58 2HB GLN 58 7.162 -2.631 -0.159 419 HG2 GLN 58 1HG GLN 58 6.613 -1.641 -2.178 420 HG3 GLN 58 2HG GLN 58 8.150 -0.785 -2.290 421 HE21 GLN 58 1HE2 GLN 58 9.201 -1.510 -3.992 422 HE22 GLN 58 2HE2 GLN 58 9.399 -3.167 -4.437 423 H ASN 59 H ASN 59 5.960 -1.594 1.727 424 HA ASN 59 HA ASN 59 7.619 -2.097 4.075 425 HB2 ASN 59 1HB ASN 59 5.265 -0.226 3.987 426 HB3 ASN 59 2HB ASN 59 5.710 -1.052 5.478 427 HD21 ASN 59 1HD2 ASN 59 8.404 -1.015 5.432 428 HD22 ASN 59 2HD2 ASN 59 8.987 0.611 5.469 429 H ILE 60 H ILE 60 6.203 -3.185 5.831 430 HA ILE 60 HA ILE 60 4.050 -4.795 4.694 431 HB ILE 60 HB ILE 60 6.425 -6.068 6.056 432 HG12 ILE 60 1HG1 ILE 60 5.587 -6.284 3.160 433 HG13 ILE 60 2HG1 ILE 60 6.871 -5.225 3.732 434 HG21 ILE 60 1HG2 ILE 60 4.374 -7.611 4.565 435 HG22 ILE 60 2HG2 ILE 60 5.336 -8.068 5.970 436 HG23 ILE 60 3HG2 ILE 60 3.948 -6.996 6.162 437 HD11 ILE 60 3HD1 ILE 60 7.640 -7.386 2.767 438 HD12 ILE 60 1HD1 ILE 60 8.195 -7.079 4.412 439 HD13 ILE 60 2HD1 ILE 60 6.867 -8.204 4.124 440 H THR 61 H THR 61 2.473 -5.225 6.125 441 HA THR 61 HA THR 61 3.010 -5.157 8.983 442 HB THR 61 HB THR 61 2.531 -2.819 8.535 443 HG1 THR 61 1HG THR 61 0.412 -2.784 9.776 444 HG21 THR 61 3HG2 THR 61 0.897 -3.741 6.529 445 HG22 THR 61 1HG2 THR 61 0.966 -2.077 7.108 446 HG23 THR 61 2HG2 THR 61 -0.257 -3.179 7.739 447 H THR 62 H THR 62 1.576 -6.347 10.182 448 HA THR 62 HA THR 62 -0.065 -8.208 8.748 449 HB THR 62 HB THR 62 -0.701 -8.957 11.119 450 HG1 THR 62 1HG THR 62 0.235 -6.730 11.849 451 HG21 THR 62 3HG2 THR 62 1.430 -9.559 9.509 452 HG22 THR 62 1HG2 THR 62 1.002 -10.419 10.988 453 HG23 THR 62 2HG2 THR 62 2.220 -9.145 11.030 454 H ASP 63 H ASP 63 -0.645 -5.118 9.344 455 HA ASP 63 HA ASP 63 -3.487 -5.530 10.004 456 HB2 ASP 63 1HB ASP 63 -1.572 -3.324 10.634 457 HB3 ASP 63 2HB ASP 63 -3.277 -2.929 10.429 458 H THR 64 H THR 64 -5.008 -4.040 8.943 459 HA THR 64 HA THR 64 -4.454 -3.909 6.116 460 HB THR 64 HB THR 64 -6.862 -2.760 6.254 461 HG1 THR 64 1HG THR 64 -6.847 -4.421 8.563 462 HG21 THR 64 3HG2 THR 64 -6.427 -4.830 5.090 463 HG22 THR 64 1HG2 THR 64 -7.843 -5.039 6.119 464 HG23 THR 64 2HG2 THR 64 -6.286 -5.702 6.616 465 H ARG 65 H ARG 65 -3.225 -2.042 8.252 466 HA ARG 65 HA ARG 65 -3.576 0.395 6.664 467 HB2 ARG 65 1HB ARG 65 -3.757 1.790 8.627 468 HB3 ARG 65 2HB ARG 65 -5.022 0.569 8.674 469 HG2 ARG 65 1HG ARG 65 -4.319 0.425 10.820 470 HG3 ARG 65 2HG ARG 65 -3.191 -0.723 10.095 471 HD2 ARG 65 1HD ARG 65 -1.692 0.548 11.231 472 HD3 ARG 65 2HD ARG 65 -1.772 1.501 9.750 473 HE ARG 65 HE ARG 65 -2.780 3.187 10.928 474 HH11 ARG 65 1HH1 ARG 65 -2.873 0.259 12.809 475 HH12 ARG 65 2HH1 ARG 65 -3.462 1.041 14.238 476 HH21 ARG 65 1HH2 ARG 65 -3.556 4.228 12.803 477 HH22 ARG 65 2HH2 ARG 65 -3.851 3.299 14.233 478 H PHE 66 H PHE 66 -1.861 2.053 7.268 479 HA PHE 66 HA PHE 66 0.529 1.198 8.536 480 HB2 PHE 66 1HB PHE 66 0.561 -0.135 6.377 481 HB3 PHE 66 2HB PHE 66 0.725 1.400 5.530 482 HD1 PHE 66 1HD PHE 66 2.347 -0.887 7.922 483 HD2 PHE 66 2HD PHE 66 2.798 2.532 5.427 484 HE1 PHE 66 1HE PHE 66 4.785 -0.976 8.248 485 HE2 PHE 66 2HE PHE 66 5.236 2.448 5.748 486 HZ PHE 66 HZ PHE 66 6.233 0.693 7.159 487 H THR 67 H THR 67 2.333 2.785 8.169 488 HA THR 67 HA THR 67 1.371 5.413 7.287 489 HB THR 67 HB THR 67 2.754 4.922 9.932 490 HG1 THR 67 1HG THR 67 0.701 5.779 10.724 491 HG21 THR 67 3HG2 THR 67 1.595 7.535 9.588 492 HG22 THR 67 1HG2 THR 67 2.758 7.206 8.304 493 HG23 THR 67 2HG2 THR 67 3.253 7.095 9.993 494 H LEU 68 H LEU 68 2.720 5.943 5.695 495 HA LEU 68 HA LEU 68 5.326 4.926 5.377 496 HB2 LEU 68 1HB LEU 68 3.973 7.330 4.169 497 HB3 LEU 68 2HB LEU 68 5.557 6.742 3.669 498 HG LEU 68 HG LEU 68 4.305 5.743 2.069 499 HD11 LEU 68 1HD1 LEU 68 5.330 3.937 3.369 500 HD12 LEU 68 2HD1 LEU 68 3.815 3.430 2.623 501 HD13 LEU 68 3HD1 LEU 68 3.866 3.813 4.344 502 HD21 LEU 68 3HD2 LEU 68 2.199 6.746 3.357 503 HD22 LEU 68 1HD2 LEU 68 1.954 5.039 3.726 504 HD23 LEU 68 2HD2 LEU 68 2.042 5.574 2.048 505 H THR 69 H THR 69 7.263 6.443 5.096 506 HA THR 69 HA THR 69 7.376 8.727 6.843 507 HB THR 69 HB THR 69 9.071 7.872 8.368 508 HG1 THR 69 1HG THR 69 9.525 6.070 6.636 509 HG21 THR 69 3HG2 THR 69 6.680 6.027 8.320 510 HG22 THR 69 1HG2 THR 69 6.681 7.661 8.983 511 HG23 THR 69 2HG2 THR 69 7.686 6.411 9.717 512 H GLY 70 H GLY 70 9.593 9.682 6.896 513 HA2 GLY 70 1HA GLY 70 11.486 10.419 5.825 514 HA3 GLY 70 2HA GLY 70 11.639 8.798 5.163 515 H LEU 71 H LEU 71 9.093 11.234 4.713 516 HA LEU 71 HA LEU 71 9.669 11.147 1.824 517 HB2 LEU 71 1HB LEU 71 6.995 11.943 2.865 518 HB3 LEU 71 2HB LEU 71 7.426 11.199 1.327 519 HG LEU 71 HG LEU 71 7.619 9.667 3.901 520 HD11 LEU 71 1HD1 LEU 71 5.408 9.979 4.137 521 HD12 LEU 71 2HD1 LEU 71 5.291 8.805 2.826 522 HD13 LEU 71 3HD1 LEU 71 5.200 10.531 2.475 523 HD21 LEU 71 3HD2 LEU 71 6.896 7.923 1.994 524 HD22 LEU 71 1HD2 LEU 71 8.575 8.322 2.358 525 HD23 LEU 71 2HD2 LEU 71 7.756 9.104 1.005 526 H LYS 72 H LYS 72 8.840 13.142 0.657 527 HA LYS 72 HA LYS 72 9.742 15.499 2.146 528 HB2 LYS 72 1HB LYS 72 10.915 15.076 0.065 529 HB3 LYS 72 2HB LYS 72 9.395 15.021 -0.819 530 HG2 LYS 72 1HG LYS 72 9.068 17.434 0.002 531 HG3 LYS 72 2HG LYS 72 10.794 17.385 0.369 532 HD2 LYS 72 1HD LYS 72 9.654 16.695 -2.333 533 HD3 LYS 72 2HD LYS 72 10.192 18.318 -1.892 534 HE2 LYS 72 1HE LYS 72 12.370 16.986 -1.170 535 HE3 LYS 72 2HE LYS 72 11.773 15.849 -2.379 536 HZ1 LYS 72 3HZ LYS 72 13.280 18.040 -2.891 537 HZ2 LYS 72 1HZ LYS 72 11.721 18.581 -3.263 538 HZ3 LYS 72 2HZ LYS 72 12.346 17.210 -4.030 539 HA PRO 73 HA PRO 73 5.655 17.116 2.441 540 HB2 PRO 73 1HB PRO 73 6.270 19.740 2.770 541 HB3 PRO 73 2HB PRO 73 6.497 18.533 4.042 542 HG2 PRO 73 1HG PRO 73 8.506 19.690 2.148 543 HG3 PRO 73 2HG PRO 73 8.661 19.369 3.885 544 HD2 PRO 73 1HD PRO 73 9.686 17.716 2.001 545 HD3 PRO 73 2HD PRO 73 9.078 17.126 3.561 546 H ASP 74 H ASP 74 4.114 17.995 1.134 547 HA ASP 74 HA ASP 74 3.132 18.788 -0.758 548 HB2 ASP 74 1HB ASP 74 4.090 20.919 -0.102 549 HB3 ASP 74 2HB ASP 74 5.632 20.488 -0.836 550 H THR 75 H THR 75 4.299 16.382 -1.109 551 HA THR 75 HA THR 75 5.117 16.515 -3.909 552 HB THR 75 HB THR 75 6.737 15.208 -1.732 553 HG1 THR 75 1HG THR 75 7.519 17.201 -2.234 554 HG21 THR 75 3HG2 THR 75 7.989 14.529 -4.076 555 HG22 THR 75 1HG2 THR 75 6.288 14.287 -4.473 556 HG23 THR 75 2HG2 THR 75 7.002 13.444 -3.098 557 H THR 76 H THR 76 4.102 15.028 -5.098 558 HA THR 76 HA THR 76 2.186 13.291 -3.957 559 HB THR 76 HB THR 76 3.326 13.260 -6.759 560 HG1 THR 76 1HG THR 76 1.685 14.656 -7.246 561 HG21 THR 76 3HG2 THR 76 0.878 12.321 -7.100 562 HG22 THR 76 1HG2 THR 76 1.098 11.793 -5.433 563 HG23 THR 76 2HG2 THR 76 2.218 11.253 -6.684 564 H TYR 77 H TYR 77 2.290 11.214 -3.345 565 HA TYR 77 HA TYR 77 4.721 9.689 -4.001 566 HB2 TYR 77 1HB TYR 77 3.440 10.166 -1.341 567 HB3 TYR 77 2HB TYR 77 4.238 8.626 -1.636 568 HD1 TYR 77 1HD TYR 77 6.678 8.614 -2.244 569 HD2 TYR 77 2HD TYR 77 4.689 12.120 -0.881 570 HE1 TYR 77 1HE TYR 77 8.852 9.635 -1.715 571 HE2 TYR 77 2HE TYR 77 6.858 13.151 -0.350 572 HH TYR 77 HH TYR 77 9.392 12.721 -1.340 573 H ASP 78 H ASP 78 3.978 8.234 -5.425 574 HA ASP 78 HA ASP 78 1.386 7.166 -5.499 575 HB2 ASP 78 1HB ASP 78 2.712 7.054 -7.477 576 HB3 ASP 78 2HB ASP 78 3.998 6.184 -6.646 577 H ILE 79 H ILE 79 0.631 6.268 -3.646 578 HA ILE 79 HA ILE 79 2.194 4.076 -2.456 579 HB ILE 79 HB ILE 79 -0.081 5.636 -1.225 580 HG12 ILE 79 1HG1 ILE 79 2.714 5.751 -0.197 581 HG13 ILE 79 2HG1 ILE 79 2.338 6.668 -1.651 582 HG21 ILE 79 1HG2 ILE 79 1.796 3.902 0.309 583 HG22 ILE 79 2HG2 ILE 79 0.139 4.372 0.680 584 HG23 ILE 79 3HG2 ILE 79 0.454 3.161 -0.563 585 HD11 ILE 79 3HD1 ILE 79 2.139 7.765 0.701 586 HD12 ILE 79 1HD1 ILE 79 0.939 8.104 -0.545 587 HD13 ILE 79 2HD1 ILE 79 0.580 6.943 0.734 588 H LYS 80 H LYS 80 1.444 2.050 -2.522 589 HA LYS 80 HA LYS 80 -1.385 1.597 -3.161 590 HB2 LYS 80 1HB LYS 80 -0.446 -0.385 -4.596 591 HB3 LYS 80 2HB LYS 80 -0.554 1.230 -5.282 592 HG2 LYS 80 1HG LYS 80 1.914 1.382 -4.305 593 HG3 LYS 80 2HG LYS 80 1.824 -0.365 -4.538 594 HD2 LYS 80 1HD LYS 80 1.079 1.592 -6.697 595 HD3 LYS 80 2HD LYS 80 2.729 1.004 -6.480 596 HE2 LYS 80 1HE LYS 80 2.005 -1.273 -6.823 597 HE3 LYS 80 2HE LYS 80 0.319 -0.762 -6.895 598 HZ1 LYS 80 3HZ LYS 80 1.208 0.713 -8.832 599 HZ2 LYS 80 1HZ LYS 80 0.835 -0.915 -9.102 600 HZ3 LYS 80 2HZ LYS 80 2.444 -0.440 -8.892 601 H VAL 81 H VAL 81 -1.659 -1.000 -3.123 602 HA VAL 81 HA VAL 81 -0.145 -2.185 -0.940 603 HB VAL 81 HB VAL 81 -2.253 -0.848 -0.097 604 HG11 VAL 81 1HG1 VAL 81 -3.529 -3.497 -0.732 605 HG12 VAL 81 2HG1 VAL 81 -4.292 -2.045 -0.079 606 HG13 VAL 81 3HG1 VAL 81 -3.726 -2.071 -1.750 607 HG21 VAL 81 3HG2 VAL 81 -2.077 -2.033 1.839 608 HG22 VAL 81 1HG2 VAL 81 -2.145 -3.593 1.019 609 HG23 VAL 81 2HG2 VAL 81 -0.650 -2.658 1.013 610 H ARG 82 H ARG 82 -0.873 -4.476 -0.537 611 HA ARG 82 HA ARG 82 -2.392 -5.797 -2.574 612 HB2 ARG 82 1HB ARG 82 -0.662 -7.036 -3.636 613 HB3 ARG 82 2HB ARG 82 -0.169 -5.349 -3.685 614 HG2 ARG 82 1HG ARG 82 1.225 -5.804 -1.646 615 HG3 ARG 82 2HG ARG 82 0.865 -7.516 -1.878 616 HD2 ARG 82 1HD ARG 82 2.054 -5.805 -4.045 617 HD3 ARG 82 2HD ARG 82 3.046 -6.651 -2.859 618 HE ARG 82 HE ARG 82 1.312 -8.519 -3.963 619 HH11 ARG 82 1HH1 ARG 82 3.919 -6.460 -5.003 620 HH12 ARG 82 2HH1 ARG 82 4.429 -7.526 -6.270 621 HH21 ARG 82 1HH2 ARG 82 1.974 -9.931 -5.627 622 HH22 ARG 82 2HH2 ARG 82 3.322 -9.500 -6.625 623 H ALA 83 H ALA 83 -3.177 -7.683 -1.826 624 HA ALA 83 HA ALA 83 -2.524 -8.458 0.872 625 HB1 ALA 83 3HB ALA 83 -4.524 -9.491 0.899 626 HB2 ALA 83 1HB ALA 83 -4.821 -8.519 -0.543 627 HB3 ALA 83 2HB ALA 83 -4.302 -10.197 -0.701 628 H TRP 84 H TRP 84 -1.492 -10.282 1.552 629 HA TRP 84 HA TRP 84 -0.239 -11.932 -0.544 630 HB2 TRP 84 1HB TRP 84 0.806 -11.032 2.138 631 HB3 TRP 84 2HB TRP 84 1.534 -12.363 1.245 632 HD1 TRP 84 HD TRP 84 0.607 -8.660 0.485 633 HE1 TRP 84 1HE TRP 84 2.504 -7.654 -0.934 634 HE3 TRP 84 3HE TRP 84 3.584 -12.794 0.061 635 HZ2 TRP 84 2HZ TRP 84 4.939 -8.501 -2.082 636 HZ3 TRP 84 3HZ TRP 84 5.680 -12.613 -1.215 637 HH2 TRP 84 HH TRP 84 6.342 -10.510 -2.264 638 H THR 85 H THR 85 -0.143 -14.155 -0.263 639 HA THR 85 HA THR 85 -1.858 -15.219 1.886 640 HB THR 85 HB THR 85 -2.218 -17.176 0.291 641 HG1 THR 85 1HG THR 85 -1.222 -17.067 -1.564 642 HG21 THR 85 3HG2 THR 85 -3.561 -15.228 -1.239 643 HG22 THR 85 1HG2 THR 85 -3.453 -14.589 0.401 644 HG23 THR 85 2HG2 THR 85 -4.195 -16.164 0.114 645 H SER 86 H SER 86 -1.401 -17.684 2.176 646 HA SER 86 HA SER 86 1.169 -17.945 3.262 647 HB2 SER 86 1HB SER 86 -0.660 -20.221 2.474 648 HB3 SER 86 2HB SER 86 0.587 -20.237 3.721 649 HG SER 86 HG SER 86 -1.856 -18.801 3.721 650 H LYS 87 H LYS 87 0.051 -18.333 0.060 651 HA LYS 87 HA LYS 87 2.221 -20.077 -0.758 652 HB2 LYS 87 1HB LYS 87 -0.042 -18.743 -2.236 653 HB3 LYS 87 2HB LYS 87 1.236 -19.616 -3.072 654 HG2 LYS 87 1HG LYS 87 -0.261 -21.300 -2.887 655 HG3 LYS 87 2HG LYS 87 0.549 -21.503 -1.331 656 HD2 LYS 87 1HD LYS 87 -1.596 -21.468 -0.584 657 HD3 LYS 87 2HD LYS 87 -1.305 -19.727 -0.602 658 HE2 LYS 87 1HE LYS 87 -3.362 -19.981 -1.684 659 HE3 LYS 87 2HE LYS 87 -2.201 -19.790 -2.998 660 HZ1 LYS 87 3HZ LYS 87 -3.638 -22.207 -2.132 661 HZ2 LYS 87 1HZ LYS 87 -2.150 -22.359 -2.924 662 HZ3 LYS 87 2HZ LYS 87 -3.441 -21.580 -3.690 663 H GLY 88 H GLY 88 1.130 -16.786 -1.621 664 HA2 GLY 88 1HA GLY 88 3.775 -15.729 -1.518 665 HA3 GLY 88 2HA GLY 88 3.283 -16.028 -3.179 666 H SER 89 H SER 89 2.741 -14.165 -4.089 667 HA SER 89 HA SER 89 0.970 -12.353 -2.586 668 HB2 SER 89 1HB SER 89 2.081 -10.441 -3.623 669 HB3 SER 89 2HB SER 89 3.258 -11.420 -2.749 670 HG SER 89 HG SER 89 2.778 -11.768 -5.512 671 H GLY 90 H GLY 90 -0.025 -10.687 -4.222 672 HA2 GLY 90 1HA GLY 90 -0.831 -12.140 -6.661 673 HA3 GLY 90 2HA GLY 90 -2.025 -11.382 -5.619 674 HA PRO 91 HA PRO 91 -1.340 -8.213 -8.777 675 HB2 PRO 91 1HB PRO 91 -3.712 -6.967 -8.340 676 HB3 PRO 91 2HB PRO 91 -3.557 -8.415 -9.342 677 HG2 PRO 91 1HG PRO 91 -4.441 -8.168 -6.493 678 HG3 PRO 91 2HG PRO 91 -5.127 -9.158 -7.795 679 HD2 PRO 91 1HD PRO 91 -3.490 -10.180 -5.896 680 HD3 PRO 91 2HD PRO 91 -3.528 -10.801 -7.559 681 H LEU 92 H LEU 92 -1.859 -5.718 -8.567 682 HA LEU 92 HA LEU 92 -1.038 -4.836 -5.879 683 HB2 LEU 92 1HB LEU 92 0.125 -4.257 -8.539 684 HB3 LEU 92 2HB LEU 92 0.034 -2.915 -7.400 685 HG LEU 92 HG LEU 92 1.311 -5.515 -6.619 686 HD11 LEU 92 1HD1 LEU 92 2.862 -3.224 -7.772 687 HD12 LEU 92 2HD1 LEU 92 2.265 -4.536 -8.788 688 HD13 LEU 92 3HD1 LEU 92 3.385 -4.881 -7.470 689 HD21 LEU 92 3HD2 LEU 92 1.073 -4.206 -4.739 690 HD22 LEU 92 1HD2 LEU 92 1.282 -2.698 -5.630 691 HD23 LEU 92 2HD2 LEU 92 2.676 -3.727 -5.298 692 H SER 93 H SER 93 -2.398 -3.445 -4.983 693 HA SER 93 HA SER 93 -4.725 -2.518 -6.205 694 HB2 SER 93 1HB SER 93 -5.190 -1.436 -4.203 695 HB3 SER 93 2HB SER 93 -4.032 -2.657 -3.676 696 HG SER 93 HG SER 93 -3.433 0.046 -4.310 697 HA PRO 94 HA PRO 94 -3.604 1.041 -8.514 698 HB2 PRO 94 1HB PRO 94 -5.778 2.625 -8.145 699 HB3 PRO 94 2HB PRO 94 -5.806 1.174 -9.155 700 HG2 PRO 94 1HG PRO 94 -6.741 1.537 -6.334 701 HG3 PRO 94 2HG PRO 94 -7.521 0.667 -7.668 702 HD2 PRO 94 1HD PRO 94 -6.122 -0.597 -5.726 703 HD3 PRO 94 2HD PRO 94 -6.194 -1.198 -7.395 704 H SER 95 H SER 95 -2.025 2.364 -7.871 705 HA SER 95 HA SER 95 -1.615 3.401 -5.347 706 HB2 SER 95 1HB SER 95 -0.372 5.279 -6.821 707 HB3 SER 95 2HB SER 95 0.281 3.657 -6.594 708 HG SER 95 HG SER 95 0.101 3.402 -8.659 709 H ILE 96 H ILE 96 -1.953 5.425 -4.388 710 HA ILE 96 HA ILE 96 -4.294 6.853 -5.438 711 HB ILE 96 HB ILE 96 -4.305 7.866 -3.078 712 HG12 ILE 96 1HG1 ILE 96 -2.583 5.438 -2.535 713 HG13 ILE 96 2HG1 ILE 96 -1.994 7.097 -2.526 714 HG21 ILE 96 1HG2 ILE 96 -4.811 4.956 -2.866 715 HG22 ILE 96 2HG2 ILE 96 -5.852 6.321 -2.467 716 HG23 ILE 96 3HG2 ILE 96 -5.647 5.831 -4.148 717 HD11 ILE 96 3HD1 ILE 96 -3.603 5.642 -0.536 718 HD12 ILE 96 1HD1 ILE 96 -2.380 6.895 -0.320 719 HD13 ILE 96 2HD1 ILE 96 -4.021 7.336 -0.795 720 H GLN 97 H GLN 97 -0.940 7.219 -4.639 721 HA GLN 97 HA GLN 97 0.542 8.913 -4.966 722 HB2 GLN 97 1HB GLN 97 -1.683 9.607 -6.811 723 HB3 GLN 97 2HB GLN 97 -0.502 10.864 -6.469 724 HG2 GLN 97 1HG GLN 97 1.170 9.793 -7.565 725 HG3 GLN 97 2HG GLN 97 0.531 8.190 -7.205 726 HE21 GLN 97 1HE2 GLN 97 0.033 7.173 -8.999 727 HE22 GLN 97 2HE2 GLN 97 -0.735 7.861 -10.386 728 H SER 98 H SER 98 -0.749 8.967 -2.578 729 HA SER 98 HA SER 98 -2.012 11.436 -1.983 730 HB2 SER 98 1HB SER 98 -1.929 9.156 -0.652 731 HB3 SER 98 2HB SER 98 -0.532 9.906 0.120 732 HG SER 98 HG SER 98 -1.858 11.620 0.750 733 H ARG 99 H ARG 99 -1.013 13.323 -2.247 734 HA ARG 99 HA ARG 99 1.840 13.593 -1.931 735 HB2 ARG 99 1HB ARG 99 0.893 14.884 -3.679 736 HB3 ARG 99 2HB ARG 99 -0.369 15.517 -2.630 737 HG2 ARG 99 1HG ARG 99 1.275 16.818 -1.403 738 HG3 ARG 99 2HG ARG 99 2.566 16.151 -2.404 739 HD2 ARG 99 1HD ARG 99 2.158 18.196 -3.408 740 HD3 ARG 99 2HD ARG 99 1.188 17.091 -4.381 741 HE ARG 99 HE ARG 99 -0.296 18.225 -2.220 742 HH11 ARG 99 1HH1 ARG 99 0.880 18.816 -5.443 743 HH12 ARG 99 2HH1 ARG 99 -0.363 19.959 -5.828 744 HH21 ARG 99 1HH2 ARG 99 -1.939 19.729 -2.715 745 HH22 ARG 99 2HH2 ARG 99 -1.965 20.478 -4.275 746 H THR 100 H THR 100 2.744 13.778 0.002 747 HA THR 100 HA THR 100 1.588 14.109 2.434 748 HB THR 100 HB THR 100 3.728 14.932 3.296 749 HG1 THR 100 1HG THR 100 4.243 15.380 0.542 750 HG21 THR 100 3HG2 THR 100 3.523 12.642 1.455 751 HG22 THR 100 1HG2 THR 100 4.060 12.703 3.133 752 HG23 THR 100 2HG2 THR 100 5.166 13.157 1.837 753 H MET 101 H MET 101 1.378 15.877 3.918 754 HA MET 101 HA MET 101 0.106 18.135 2.809 755 HB2 MET 101 1HB MET 101 -0.391 18.739 4.972 756 HB3 MET 101 2HB MET 101 -0.063 17.025 5.191 757 HG2 MET 101 1HG MET 101 2.138 17.489 6.012 758 HG3 MET 101 2HG MET 101 1.965 19.201 5.632 759 HE1 MET 101 3HE MET 101 0.320 16.600 8.800 760 HE2 MET 101 1HE MET 101 -1.133 17.225 8.020 761 HE3 MET 101 2HE MET 101 0.088 16.386 7.064 762 HA PRO 102 HA PRO 102 3.509 20.792 1.930 763 HB2 PRO 102 1HB PRO 102 2.194 23.167 1.949 764 HB3 PRO 102 2HB PRO 102 2.038 21.993 0.637 765 HG2 PRO 102 1HG PRO 102 0.211 22.499 2.954 766 HG3 PRO 102 2HG PRO 102 -0.194 22.215 1.251 767 HD2 PRO 102 1HD PRO 102 -0.374 20.278 3.135 768 HD3 PRO 102 2HD PRO 102 0.046 19.930 1.445 769 H VAL 103 H VAL 103 4.840 20.672 3.727 770 HA VAL 103 HA VAL 103 4.463 21.415 6.300 771 HB VAL 103 HB VAL 103 6.570 20.480 5.588 772 HG11 VAL 103 1HG1 VAL 103 7.668 21.216 3.805 773 HG12 VAL 103 2HG1 VAL 103 6.462 22.490 3.613 774 HG13 VAL 103 3HG1 VAL 103 7.915 22.786 4.569 775 HG21 VAL 103 3HG2 VAL 103 6.457 22.976 7.134 776 HG22 VAL 103 1HG2 VAL 103 7.132 21.403 7.560 777 HG23 VAL 103 2HG2 VAL 103 8.064 22.523 6.566 Start of MODEL 19 1 H1 GLY 1 H GLY 1 13.414 -16.950 -14.978 2 HA2 GLY 1 1HA GLY 1 11.348 -15.683 -16.635 3 HA3 GLY 1 2HA GLY 1 11.526 -17.409 -16.353 4 H SER 2 H SER 2 9.309 -17.557 -15.818 5 HA SER 2 HA SER 2 8.337 -16.092 -13.509 6 HB2 SER 2 1HB SER 2 6.963 -18.241 -15.140 7 HB3 SER 2 2HB SER 2 6.198 -17.172 -13.965 8 HG SER 2 HG SER 2 6.000 -15.776 -15.507 9 H SER 3 H SER 3 9.068 -16.774 -11.596 10 HA SER 3 HA SER 3 9.602 -19.579 -11.106 11 HB2 SER 3 1HB SER 3 11.181 -18.030 -10.172 12 HB3 SER 3 2HB SER 3 9.899 -17.108 -9.388 13 HG SER 3 HG SER 3 9.752 -18.582 -7.851 14 H GLY 4 H GLY 4 7.658 -20.650 -11.069 15 HA2 GLY 4 1HA GLY 4 5.714 -21.463 -10.159 16 HA3 GLY 4 2HA GLY 4 6.218 -20.698 -8.659 17 H SER 5 H SER 5 3.550 -20.947 -9.931 18 HA SER 5 HA SER 5 2.902 -18.074 -10.022 19 HB2 SER 5 1HB SER 5 2.018 -20.303 -11.804 20 HB3 SER 5 2HB SER 5 0.875 -19.006 -11.455 21 HG SER 5 HG SER 5 3.362 -18.880 -12.768 22 H SER 6 H SER 6 2.118 -17.745 -8.016 23 HA SER 6 HA SER 6 -0.369 -19.063 -7.316 24 HB2 SER 6 1HB SER 6 2.176 -19.425 -5.784 25 HB3 SER 6 2HB SER 6 0.655 -19.331 -4.896 26 HG SER 6 HG SER 6 0.848 -21.038 -7.113 27 H GLY 7 H GLY 7 -1.276 -18.079 -5.238 28 HA2 GLY 7 1HA GLY 7 -1.133 -16.136 -3.730 29 HA3 GLY 7 2HA GLY 7 -0.507 -15.228 -5.098 30 HA PRO 8 HA PRO 8 -5.207 -14.825 -4.664 31 HB2 PRO 8 1HB PRO 8 -5.267 -12.216 -3.914 32 HB3 PRO 8 2HB PRO 8 -5.184 -13.548 -2.754 33 HG2 PRO 8 1HG PRO 8 -2.986 -11.800 -3.793 34 HG3 PRO 8 2HG PRO 8 -3.288 -12.351 -2.134 35 HD2 PRO 8 1HD PRO 8 -1.438 -13.507 -3.739 36 HD3 PRO 8 2HD PRO 8 -2.345 -14.419 -2.515 37 H SER 9 H SER 9 -6.558 -13.633 -6.087 38 HA SER 9 HA SER 9 -5.096 -12.279 -8.260 39 HB2 SER 9 1HB SER 9 -6.555 -13.217 -9.846 40 HB3 SER 9 2HB SER 9 -6.262 -14.542 -8.720 41 HG SER 9 HG SER 9 -8.513 -12.811 -8.727 42 H GLY 10 H GLY 10 -6.015 -10.914 -5.955 43 HA2 GLY 10 1HA GLY 10 -7.702 -8.942 -7.246 44 HA3 GLY 10 2HA GLY 10 -8.432 -9.738 -5.860 45 H PHE 11 H PHE 11 -8.102 -7.039 -5.810 46 HA PHE 11 HA PHE 11 -5.917 -6.711 -3.861 47 HB2 PHE 11 1HB PHE 11 -5.940 -4.256 -4.647 48 HB3 PHE 11 2HB PHE 11 -5.172 -5.446 -5.692 49 HD1 PHE 11 2HD PHE 11 -6.308 -6.207 -7.742 50 HD2 PHE 11 1HD PHE 11 -7.881 -3.073 -5.330 51 HE1 PHE 11 2HE PHE 11 -7.757 -5.507 -9.603 52 HE2 PHE 11 1HE PHE 11 -9.333 -2.368 -7.188 53 HZ PHE 11 HZ PHE 11 -9.272 -3.585 -9.328 54 HA PRO 12 HA PRO 12 -8.876 -5.220 -0.986 55 HB2 PRO 12 1HB PRO 12 -7.462 -3.314 0.332 56 HB3 PRO 12 2HB PRO 12 -7.157 -5.044 0.528 57 HG2 PRO 12 1HG PRO 12 -5.702 -3.044 -1.158 58 HG3 PRO 12 2HG PRO 12 -5.044 -4.333 -0.133 59 HD2 PRO 12 1HD PRO 12 -5.268 -4.580 -2.820 60 HD3 PRO 12 2HD PRO 12 -5.429 -5.962 -1.718 61 H GLN 13 H GLN 13 -9.963 -3.211 -0.171 62 HA GLN 13 HA GLN 13 -10.036 -1.129 -2.255 63 HB2 GLN 13 1HB GLN 13 -12.479 -1.722 -0.657 64 HB3 GLN 13 2HB GLN 13 -12.334 -1.122 -2.304 65 HG2 GLN 13 1HG GLN 13 -11.554 -3.924 -1.596 66 HG3 GLN 13 2HG GLN 13 -13.228 -3.492 -1.941 67 HE21 GLN 13 1HE2 GLN 13 -12.758 -5.151 -3.647 68 HE22 GLN 13 2HE2 GLN 13 -12.148 -4.574 -5.157 69 H ASN 14 H ASN 14 -11.511 0.781 -1.242 70 HA ASN 14 HA ASN 14 -11.445 2.590 0.137 71 HB2 ASN 14 1HB ASN 14 -11.509 0.249 1.976 72 HB3 ASN 14 2HB ASN 14 -11.160 1.824 2.680 73 HD21 ASN 14 1HD2 ASN 14 -13.289 0.892 0.012 74 HD22 ASN 14 2HD2 ASN 14 -14.735 1.521 0.717 75 H LEU 15 H LEU 15 -8.953 1.715 -1.037 76 HA LEU 15 HA LEU 15 -6.881 2.000 0.927 77 HB2 LEU 15 1HB LEU 15 -6.657 0.701 -1.189 78 HB3 LEU 15 2HB LEU 15 -6.675 2.226 -2.071 79 HG LEU 15 HG LEU 15 -4.590 2.889 -1.003 80 HD11 LEU 15 1HD1 LEU 15 -4.756 1.868 1.136 81 HD12 LEU 15 2HD1 LEU 15 -3.349 1.171 0.335 82 HD13 LEU 15 3HD1 LEU 15 -4.853 0.254 0.429 83 HD21 LEU 15 3HD2 LEU 15 -3.666 1.897 -2.761 84 HD22 LEU 15 1HD2 LEU 15 -4.922 0.659 -2.777 85 HD23 LEU 15 2HD2 LEU 15 -3.477 0.436 -1.790 86 H HIS 16 H HIS 16 -6.642 3.898 1.924 87 HA HIS 16 HA HIS 16 -5.906 6.218 0.420 88 HB2 HIS 16 1HB HIS 16 -7.692 7.686 1.397 89 HB3 HIS 16 2HB HIS 16 -8.277 6.532 0.202 90 HD1 HIS 16 1HD HIS 16 -10.314 5.318 0.882 91 HD2 HIS 16 2HD HIS 16 -8.112 6.592 4.167 92 HE1 HIS 16 1HE HIS 16 -11.667 4.657 2.896 93 HE2 HIS 16 2HE HIS 16 -10.356 5.514 4.869 94 H VAL 17 H VAL 17 -5.931 8.192 2.157 95 HA VAL 17 HA VAL 17 -4.443 7.128 4.461 96 HB VAL 17 HB VAL 17 -3.100 8.573 3.065 97 HG11 VAL 17 1HG1 VAL 17 -5.528 10.075 2.862 98 HG12 VAL 17 2HG1 VAL 17 -4.226 11.125 3.425 99 HG13 VAL 17 3HG1 VAL 17 -4.045 10.223 1.920 100 HG21 VAL 17 3HG2 VAL 17 -2.130 9.680 4.782 101 HG22 VAL 17 1HG2 VAL 17 -3.639 10.445 5.281 102 HG23 VAL 17 2HG2 VAL 17 -3.303 8.776 5.739 103 H THR 18 H THR 18 -4.979 7.667 6.520 104 HA THR 18 HA THR 18 -7.541 9.038 6.880 105 HB THR 18 HB THR 18 -7.290 6.793 7.885 106 HG1 THR 18 1HG THR 18 -8.366 8.851 8.939 107 HG21 THR 18 3HG2 THR 18 -5.203 8.125 9.616 108 HG22 THR 18 1HG2 THR 18 -4.899 6.884 8.402 109 HG23 THR 18 2HG2 THR 18 -5.842 6.497 9.842 110 H GLY 19 H GLY 19 -4.216 9.594 7.192 111 HA2 GLY 19 1HA GLY 19 -4.557 12.232 8.129 112 HA3 GLY 19 2HA GLY 19 -4.058 11.210 9.469 113 H LEU 20 H LEU 20 -3.150 12.311 6.238 114 HA LEU 20 HA LEU 20 -0.542 11.217 6.260 115 HB2 LEU 20 1HB LEU 20 -0.245 12.250 4.251 116 HB3 LEU 20 2HB LEU 20 -2.006 12.225 4.330 117 HG LEU 20 HG LEU 20 -0.195 14.577 4.867 118 HD11 LEU 20 1HD1 LEU 20 -0.440 14.980 2.702 119 HD12 LEU 20 2HD1 LEU 20 -2.181 15.118 2.948 120 HD13 LEU 20 3HD1 LEU 20 -1.472 13.561 2.520 121 HD21 LEU 20 3HD2 LEU 20 -2.636 15.652 4.852 122 HD22 LEU 20 1HD2 LEU 20 -1.846 15.101 6.330 123 HD23 LEU 20 2HD2 LEU 20 -3.036 14.074 5.532 124 H THR 21 H THR 21 1.418 12.755 6.016 125 HA THR 21 HA THR 21 1.309 15.023 7.848 126 HB THR 21 HB THR 21 3.555 13.110 8.289 127 HG1 THR 21 1HG THR 21 1.156 12.837 9.762 128 HG21 THR 21 3HG2 THR 21 2.246 14.359 10.574 129 HG22 THR 21 1HG2 THR 21 2.796 15.530 9.376 130 HG23 THR 21 2HG2 THR 21 3.940 14.391 10.087 131 H THR 22 H THR 22 3.199 16.389 7.736 132 HA THR 22 HA THR 22 4.041 17.050 5.224 133 HB THR 22 HB THR 22 5.995 18.190 6.294 134 HG1 THR 22 1HG THR 22 5.721 18.062 8.756 135 HG21 THR 22 3HG2 THR 22 4.666 19.746 7.612 136 HG22 THR 22 1HG2 THR 22 3.366 18.562 7.735 137 HG23 THR 22 2HG2 THR 22 3.778 19.260 6.169 138 H SER 23 H SER 23 5.764 14.959 7.529 139 HA SER 23 HA SER 23 7.587 14.158 5.371 140 HB2 SER 23 1HB SER 23 7.785 13.849 8.374 141 HB3 SER 23 2HB SER 23 8.941 13.154 7.239 142 HG SER 23 HG SER 23 8.848 15.639 8.203 143 H THR 24 H THR 24 5.444 12.835 7.859 144 HA THR 24 HA THR 24 5.686 10.171 6.668 145 HB THR 24 HB THR 24 4.618 9.302 8.625 146 HG1 THR 24 1HG THR 24 3.087 10.585 9.366 147 HG21 THR 24 3HG2 THR 24 6.085 10.171 10.436 148 HG22 THR 24 1HG2 THR 24 6.589 11.470 9.355 149 HG23 THR 24 2HG2 THR 24 6.957 9.793 8.951 150 H THR 25 H THR 25 3.643 8.891 6.468 151 HA THR 25 HA THR 25 1.263 10.479 5.892 152 HB THR 25 HB THR 25 2.815 8.942 3.840 153 HG1 THR 25 1HG THR 25 2.897 10.879 3.003 154 HG21 THR 25 3HG2 THR 25 -0.164 9.432 3.795 155 HG22 THR 25 1HG2 THR 25 0.645 7.866 3.817 156 HG23 THR 25 2HG2 THR 25 0.793 8.916 2.408 157 H GLU 26 H GLU 26 -0.292 9.509 7.007 158 HA GLU 26 HA GLU 26 -0.145 6.777 7.816 159 HB2 GLU 26 1HB GLU 26 -2.267 8.900 8.052 160 HB3 GLU 26 2HB GLU 26 -2.543 7.251 8.598 161 HG2 GLU 26 1HG GLU 26 -0.388 7.572 9.966 162 HG3 GLU 26 2HG GLU 26 -0.637 9.291 9.667 163 H LEU 27 H LEU 27 -1.967 5.234 7.436 164 HA LEU 27 HA LEU 27 -3.317 5.530 4.873 165 HB2 LEU 27 1HB LEU 27 -1.545 3.167 5.470 166 HB3 LEU 27 2HB LEU 27 -2.517 3.409 4.020 167 HG LEU 27 HG LEU 27 -0.179 5.138 4.825 168 HD11 LEU 27 1HD1 LEU 27 -0.385 2.765 3.001 169 HD12 LEU 27 2HD1 LEU 27 0.767 3.062 4.302 170 HD13 LEU 27 3HD1 LEU 27 0.869 3.989 2.805 171 HD21 LEU 27 3HD2 LEU 27 -1.287 5.000 2.072 172 HD22 LEU 27 1HD2 LEU 27 -0.504 6.338 2.914 173 HD23 LEU 27 2HD2 LEU 27 -2.179 5.925 3.282 174 H ALA 28 H ALA 28 -4.965 3.886 4.518 175 HA ALA 28 HA ALA 28 -5.666 2.048 6.586 176 HB1 ALA 28 3HB ALA 28 -7.054 4.694 6.465 177 HB2 ALA 28 1HB ALA 28 -7.923 3.253 6.994 178 HB3 ALA 28 2HB ALA 28 -6.489 3.790 7.869 179 H TRP 29 H TRP 29 -6.123 0.447 5.197 180 HA TRP 29 HA TRP 29 -8.189 0.964 3.160 181 HB2 TRP 29 1HB TRP 29 -7.100 -0.702 1.717 182 HB3 TRP 29 2HB TRP 29 -6.014 0.635 2.084 183 HD1 TRP 29 HD TRP 29 -6.454 -3.103 2.635 184 HE1 TRP 29 1HE TRP 29 -4.288 -4.060 3.642 185 HE3 TRP 29 3HE TRP 29 -3.995 1.278 3.584 186 HZ2 TRP 29 2HZ TRP 29 -1.858 -3.087 4.699 187 HZ3 TRP 29 3HZ TRP 29 -1.754 1.177 4.595 188 HH2 TRP 29 HH TRP 29 -0.710 -0.961 5.141 189 H ASP 30 H ASP 30 -9.145 -1.233 2.390 190 HA ASP 30 HA ASP 30 -9.676 -2.875 4.780 191 HB2 ASP 30 1HB ASP 30 -11.940 -3.115 4.130 192 HB3 ASP 30 2HB ASP 30 -11.575 -1.404 3.923 193 HA PRO 31 HA PRO 31 -8.402 -6.451 2.581 194 HB2 PRO 31 1HB PRO 31 -10.073 -8.332 3.601 195 HB3 PRO 31 2HB PRO 31 -8.742 -7.626 4.526 196 HG2 PRO 31 1HG PRO 31 -11.657 -6.946 4.581 197 HG3 PRO 31 2HG PRO 31 -10.524 -7.126 5.934 198 HD2 PRO 31 1HD PRO 31 -11.253 -4.709 4.954 199 HD3 PRO 31 2HD PRO 31 -9.645 -5.015 5.641 200 HA PRO 32 HA PRO 32 -10.940 -7.097 -0.956 201 HB2 PRO 32 1HB PRO 32 -10.131 -9.575 -1.715 202 HB3 PRO 32 2HB PRO 32 -9.126 -8.134 -1.912 203 HG2 PRO 32 1HG PRO 32 -9.034 -10.230 0.223 204 HG3 PRO 32 2HG PRO 32 -7.695 -9.457 -0.644 205 HD2 PRO 32 1HD PRO 32 -8.434 -8.716 1.854 206 HD3 PRO 32 2HD PRO 32 -7.765 -7.568 0.676 207 H VAL 33 H VAL 33 -12.968 -7.772 -1.344 208 HA VAL 33 HA VAL 33 -14.574 -8.988 0.518 209 HB VAL 33 HB VAL 33 -16.041 -9.638 -1.506 210 HG11 VAL 33 1HG1 VAL 33 -17.002 -7.582 -1.399 211 HG12 VAL 33 2HG1 VAL 33 -15.898 -7.424 -0.031 212 HG13 VAL 33 3HG1 VAL 33 -15.470 -6.732 -1.597 213 HG21 VAL 33 3HG2 VAL 33 -14.510 -7.724 -3.130 214 HG22 VAL 33 1HG2 VAL 33 -13.755 -9.303 -2.916 215 HG23 VAL 33 2HG2 VAL 33 -15.373 -9.185 -3.609 216 H LEU 34 H LEU 34 -15.153 -11.033 1.058 217 HA LEU 34 HA LEU 34 -13.484 -13.154 0.877 218 HB2 LEU 34 1HB LEU 34 -15.459 -14.615 1.248 219 HB3 LEU 34 2HB LEU 34 -15.364 -13.230 2.334 220 HG LEU 34 HG LEU 34 -17.047 -13.011 -0.116 221 HD11 LEU 34 1HD1 LEU 34 -17.576 -14.781 2.215 222 HD12 LEU 34 2HD1 LEU 34 -18.008 -14.984 0.517 223 HD13 LEU 34 3HD1 LEU 34 -18.916 -13.862 1.530 224 HD21 LEU 34 3HD2 LEU 34 -16.838 -11.766 2.569 225 HD22 LEU 34 1HD2 LEU 34 -18.438 -11.866 1.833 226 HD23 LEU 34 2HD2 LEU 34 -17.133 -11.027 0.994 227 H ALA 35 H ALA 35 -15.621 -12.002 -1.602 228 HA ALA 35 HA ALA 35 -15.686 -14.320 -3.220 229 HB1 ALA 35 3HB ALA 35 -15.898 -12.120 -4.926 230 HB2 ALA 35 1HB ALA 35 -17.215 -13.038 -4.195 231 HB3 ALA 35 2HB ALA 35 -16.595 -11.594 -3.393 232 H GLU 36 H GLU 36 -13.830 -11.304 -3.695 233 HA GLU 36 HA GLU 36 -12.216 -12.224 -5.762 234 HB2 GLU 36 1HB GLU 36 -11.887 -10.076 -3.697 235 HB3 GLU 36 2HB GLU 36 -10.567 -10.444 -4.798 236 HG2 GLU 36 1HG GLU 36 -12.280 -8.576 -5.375 237 HG3 GLU 36 2HG GLU 36 -11.688 -9.661 -6.633 238 H ARG 37 H ARG 37 -10.949 -11.642 -2.490 239 HA ARG 37 HA ARG 37 -8.619 -12.963 -2.575 240 HB2 ARG 37 1HB ARG 37 -9.314 -13.766 -0.126 241 HB3 ARG 37 2HB ARG 37 -8.933 -12.089 -0.494 242 HG2 ARG 37 1HG ARG 37 -11.208 -11.477 -0.544 243 HG3 ARG 37 2HG ARG 37 -11.736 -13.160 -0.582 244 HD2 ARG 37 1HD ARG 37 -10.248 -11.901 1.717 245 HD3 ARG 37 2HD ARG 37 -12.004 -12.039 1.634 246 HE ARG 37 HE ARG 37 -10.711 -14.555 1.265 247 HH11 ARG 37 1HH1 ARG 37 -11.722 -12.245 3.665 248 HH12 ARG 37 2HH1 ARG 37 -11.859 -13.422 4.929 249 HH21 ARG 37 1HH2 ARG 37 -10.887 -16.114 2.920 250 HH22 ARG 37 2HH2 ARG 37 -11.383 -15.622 4.504 251 H ASN 38 H ASN 38 -8.285 -14.804 -3.680 252 HA ASN 38 HA ASN 38 -10.058 -16.945 -3.931 253 HB2 ASN 38 1HB ASN 38 -7.121 -16.593 -4.364 254 HB3 ASN 38 2HB ASN 38 -7.788 -18.223 -4.393 255 HD21 ASN 38 1HD2 ASN 38 -6.615 -16.484 -6.500 256 HD22 ASN 38 2HD2 ASN 38 -7.798 -16.451 -7.760 257 H GLY 39 H GLY 39 -7.980 -16.060 -1.336 258 HA2 GLY 39 1HA GLY 39 -8.901 -18.386 0.172 259 HA3 GLY 39 2HA GLY 39 -7.163 -18.186 0.008 260 H ARG 40 H ARG 40 -6.556 -17.682 2.038 261 HA ARG 40 HA ARG 40 -7.990 -15.527 3.424 262 HB2 ARG 40 1HB ARG 40 -6.118 -17.674 4.416 263 HB3 ARG 40 2HB ARG 40 -6.635 -16.325 5.417 264 HG2 ARG 40 1HG ARG 40 -8.817 -17.074 5.534 265 HG3 ARG 40 2HG ARG 40 -8.666 -18.050 4.072 266 HD2 ARG 40 1HD ARG 40 -7.186 -18.640 6.627 267 HD3 ARG 40 2HD ARG 40 -8.756 -19.339 6.231 268 HE ARG 40 HE ARG 40 -6.816 -19.746 4.169 269 HH11 ARG 40 1HH1 ARG 40 -7.979 -20.930 7.229 270 HH12 ARG 40 2HH1 ARG 40 -7.410 -22.546 6.968 271 HH21 ARG 40 1HH2 ARG 40 -6.063 -21.870 3.813 272 HH22 ARG 40 2HH2 ARG 40 -6.320 -23.079 5.025 273 H ILE 41 H ILE 41 -6.621 -14.022 4.720 274 HA ILE 41 HA ILE 41 -4.213 -13.294 3.188 275 HB ILE 41 HB ILE 41 -5.750 -11.390 4.932 276 HG12 ILE 41 1HG1 ILE 41 -7.305 -12.367 3.264 277 HG13 ILE 41 2HG1 ILE 41 -7.005 -10.655 2.984 278 HG21 ILE 41 1HG2 ILE 41 -4.710 -9.997 2.831 279 HG22 ILE 41 2HG2 ILE 41 -3.938 -10.184 4.404 280 HG23 ILE 41 3HG2 ILE 41 -3.496 -11.253 3.073 281 HD11 ILE 41 3HD1 ILE 41 -5.321 -11.326 1.264 282 HD12 ILE 41 1HD1 ILE 41 -5.879 -12.987 1.462 283 HD13 ILE 41 2HD1 ILE 41 -6.990 -11.747 0.881 284 H ILE 42 H ILE 42 -2.339 -12.707 4.261 285 HA ILE 42 HA ILE 42 -2.295 -13.298 7.150 286 HB ILE 42 HB ILE 42 0.124 -13.932 6.776 287 HG12 ILE 42 1HG1 ILE 42 -0.783 -14.000 3.890 288 HG13 ILE 42 2HG1 ILE 42 0.388 -12.876 4.570 289 HG21 ILE 42 1HG2 ILE 42 -0.657 -16.003 6.928 290 HG22 ILE 42 2HG2 ILE 42 -2.248 -15.407 6.457 291 HG23 ILE 42 3HG2 ILE 42 -1.125 -15.989 5.228 292 HD11 ILE 42 3HD1 ILE 42 1.658 -14.505 3.484 293 HD12 ILE 42 1HD1 ILE 42 1.748 -14.931 5.193 294 HD13 ILE 42 2HD1 ILE 42 0.671 -15.822 4.118 295 H SER 43 H SER 43 -1.099 -11.263 4.553 296 HA SER 43 HA SER 43 -0.738 -9.050 6.310 297 HB2 SER 43 1HB SER 43 1.738 -10.388 5.199 298 HB3 SER 43 2HB SER 43 1.716 -8.764 5.886 299 HG SER 43 HG SER 43 2.040 -10.998 7.184 300 H TYR 44 H TYR 44 0.467 -7.216 5.045 301 HA TYR 44 HA TYR 44 -0.150 -7.391 2.181 302 HB2 TYR 44 1HB TYR 44 -1.031 -5.160 4.025 303 HB3 TYR 44 2HB TYR 44 -1.169 -5.130 2.270 304 HD1 TYR 44 2HD TYR 44 -2.124 -7.328 5.142 305 HD2 TYR 44 1HD TYR 44 -3.202 -5.716 1.355 306 HE1 TYR 44 2HE TYR 44 -4.316 -8.432 5.302 307 HE2 TYR 44 1HE TYR 44 -5.397 -6.815 1.505 308 HH TYR 44 HH TYR 44 -6.858 -7.690 3.862 309 H THR 45 H THR 45 0.959 -5.847 0.865 310 HA THR 45 HA THR 45 3.404 -4.807 2.141 311 HB THR 45 HB THR 45 3.029 -5.644 -0.741 312 HG1 THR 45 1HG THR 45 3.258 -7.231 1.206 313 HG21 THR 45 3HG2 THR 45 4.891 -4.498 -1.159 314 HG22 THR 45 1HG2 THR 45 5.751 -5.501 0.009 315 HG23 THR 45 2HG2 THR 45 4.991 -3.997 0.529 316 H VAL 46 H VAL 46 3.409 -2.674 2.346 317 HA VAL 46 HA VAL 46 1.752 -1.031 0.599 318 HB VAL 46 HB VAL 46 3.387 -0.243 3.015 319 HG11 VAL 46 1HG1 VAL 46 3.161 1.770 1.979 320 HG12 VAL 46 2HG1 VAL 46 1.713 1.279 1.096 321 HG13 VAL 46 3HG1 VAL 46 1.603 1.714 2.803 322 HG21 VAL 46 3HG2 VAL 46 1.548 -0.542 4.334 323 HG22 VAL 46 1HG2 VAL 46 0.417 -0.265 3.010 324 HG23 VAL 46 2HG2 VAL 46 1.254 -1.811 3.146 325 H VAL 47 H VAL 47 2.704 -0.646 -1.317 326 HA VAL 47 HA VAL 47 5.553 0.021 -1.400 327 HB VAL 47 HB VAL 47 3.738 -0.259 -3.786 328 HG11 VAL 47 1HG1 VAL 47 6.378 -1.208 -4.202 329 HG12 VAL 47 2HG1 VAL 47 5.590 0.198 -4.921 330 HG13 VAL 47 3HG1 VAL 47 6.485 0.364 -3.410 331 HG21 VAL 47 3HG2 VAL 47 3.394 -2.356 -2.953 332 HG22 VAL 47 1HG2 VAL 47 4.926 -2.628 -3.783 333 HG23 VAL 47 2HG2 VAL 47 4.903 -2.363 -2.040 334 H PHE 48 H PHE 48 6.057 2.092 -1.164 335 HA PHE 48 HA PHE 48 4.297 4.112 -2.391 336 HB2 PHE 48 1HB PHE 48 5.097 5.677 -0.628 337 HB3 PHE 48 2HB PHE 48 4.193 4.312 0.018 338 HD1 PHE 48 2HD PHE 48 5.574 2.308 0.868 339 HD2 PHE 48 1HD PHE 48 7.183 6.195 0.222 340 HE1 PHE 48 2HE PHE 48 7.449 1.778 2.371 341 HE2 PHE 48 1HE PHE 48 9.061 5.671 1.723 342 HZ PHE 48 HZ PHE 48 9.195 3.461 2.801 343 H ARG 49 H ARG 49 5.194 5.571 -3.741 344 HA ARG 49 HA ARG 49 8.060 5.997 -3.782 345 HB2 ARG 49 1HB ARG 49 8.101 4.144 -5.217 346 HB3 ARG 49 2HB ARG 49 6.581 4.586 -5.982 347 HG2 ARG 49 1HG ARG 49 7.735 6.549 -6.988 348 HG3 ARG 49 2HG ARG 49 9.251 5.925 -6.336 349 HD2 ARG 49 1HD ARG 49 8.958 5.284 -8.674 350 HD3 ARG 49 2HD ARG 49 8.970 3.872 -7.618 351 HE ARG 49 HE ARG 49 6.339 4.429 -7.859 352 HH11 ARG 49 1HH1 ARG 49 8.904 3.991 -10.172 353 HH12 ARG 49 2HH1 ARG 49 7.861 3.363 -11.405 354 HH21 ARG 49 1HH2 ARG 49 4.956 3.604 -9.475 355 HH22 ARG 49 2HH2 ARG 49 5.616 3.144 -11.008 356 H ASP 50 H ASP 50 8.576 8.004 -4.464 357 HA ASP 50 HA ASP 50 6.487 9.892 -4.882 358 HB2 ASP 50 1HB ASP 50 8.538 10.528 -3.727 359 HB3 ASP 50 2HB ASP 50 9.484 10.180 -5.172 360 H ILE 51 H ILE 51 5.408 10.125 -6.718 361 HA ILE 51 HA ILE 51 6.182 9.066 -9.194 362 HB ILE 51 HB ILE 51 4.364 10.405 -10.166 363 HG12 ILE 51 1HG1 ILE 51 3.901 11.545 -7.413 364 HG13 ILE 51 2HG1 ILE 51 4.848 12.397 -8.629 365 HG21 ILE 51 1HG2 ILE 51 2.531 9.468 -8.819 366 HG22 ILE 51 2HG2 ILE 51 3.823 8.301 -9.095 367 HG23 ILE 51 3HG2 ILE 51 3.681 9.106 -7.532 368 HD11 ILE 51 3HD1 ILE 51 2.541 13.177 -8.552 369 HD12 ILE 51 1HD1 ILE 51 2.928 12.449 -10.110 370 HD13 ILE 51 2HD1 ILE 51 1.977 11.549 -8.928 371 H ASN 52 H ASN 52 7.384 11.738 -7.588 372 HA ASN 52 HA ASN 52 8.146 13.114 -10.067 373 HB2 ASN 52 1HB ASN 52 8.333 14.024 -7.186 374 HB3 ASN 52 2HB ASN 52 8.824 14.978 -8.583 375 HD21 ASN 52 1HD2 ASN 52 6.120 13.558 -6.892 376 HD22 ASN 52 2HD2 ASN 52 4.900 14.546 -7.612 377 H SER 53 H SER 53 9.306 10.812 -8.000 378 HA SER 53 HA SER 53 12.066 11.351 -8.835 379 HB2 SER 53 1HB SER 53 11.050 11.048 -6.054 380 HB3 SER 53 2HB SER 53 12.586 10.272 -6.440 381 HG SER 53 HG SER 53 11.906 13.010 -6.568 382 H GLN 54 H GLN 54 13.474 9.383 -8.502 383 HA GLN 54 HA GLN 54 11.984 7.037 -9.409 384 HB2 GLN 54 1HB GLN 54 14.957 7.582 -9.407 385 HB3 GLN 54 2HB GLN 54 14.178 6.170 -10.107 386 HG2 GLN 54 1HG GLN 54 14.477 7.467 -11.962 387 HG3 GLN 54 2HG GLN 54 12.848 7.942 -11.482 388 HE21 GLN 54 1HE2 GLN 54 16.189 8.893 -11.629 389 HE22 GLN 54 2HE2 GLN 54 15.932 10.577 -11.342 390 H GLN 55 H GLN 55 12.399 8.072 -6.536 391 HA GLN 55 HA GLN 55 13.843 5.890 -5.298 392 HB2 GLN 55 1HB GLN 55 14.090 8.022 -4.251 393 HB3 GLN 55 2HB GLN 55 12.349 8.264 -4.188 394 HG2 GLN 55 1HG GLN 55 13.482 5.917 -2.771 395 HG3 GLN 55 2HG GLN 55 13.737 7.517 -2.075 396 HE21 GLN 55 1HE2 GLN 55 11.465 5.020 -2.757 397 HE22 GLN 55 2HE2 GLN 55 10.125 5.710 -1.914 398 H GLU 56 H GLU 56 12.898 3.968 -5.144 399 HA GLU 56 HA GLU 56 10.005 3.860 -4.610 400 HB2 GLU 56 1HB GLU 56 10.888 2.789 -6.725 401 HB3 GLU 56 2HB GLU 56 11.722 1.630 -5.700 402 HG2 GLU 56 1HG GLU 56 9.750 0.650 -4.980 403 HG3 GLU 56 2HG GLU 56 8.776 2.048 -5.432 404 H LEU 57 H LEU 57 9.243 2.809 -2.850 405 HA LEU 57 HA LEU 57 11.038 1.154 -1.257 406 HB2 LEU 57 1HB LEU 57 9.612 3.567 -0.146 407 HB3 LEU 57 2HB LEU 57 10.486 2.369 0.806 408 HG LEU 57 HG LEU 57 11.935 3.869 -1.330 409 HD11 LEU 57 1HD1 LEU 57 12.219 5.783 -0.096 410 HD12 LEU 57 2HD1 LEU 57 11.797 4.998 1.425 411 HD13 LEU 57 3HD1 LEU 57 10.535 5.400 0.262 412 HD21 LEU 57 3HD2 LEU 57 12.913 3.111 1.396 413 HD22 LEU 57 1HD2 LEU 57 13.828 3.351 -0.092 414 HD23 LEU 57 2HD2 LEU 57 12.825 1.914 0.103 415 H GLN 58 H GLN 58 9.934 -0.125 0.345 416 HA GLN 58 HA GLN 58 7.018 -0.209 0.123 417 HB2 GLN 58 1HB GLN 58 8.806 -2.613 -0.282 418 HB3 GLN 58 2HB GLN 58 7.050 -2.654 -0.182 419 HG2 GLN 58 1HG GLN 58 6.771 -1.707 -2.255 420 HG3 GLN 58 2HG GLN 58 8.354 -0.932 -2.233 421 HE21 GLN 58 1HE2 GLN 58 8.954 -1.729 -4.223 422 HE22 GLN 58 2HE2 GLN 58 9.321 -3.396 -4.491 423 H ASN 59 H ASN 59 6.016 -1.574 1.799 424 HA ASN 59 HA ASN 59 7.709 -2.097 4.125 425 HB2 ASN 59 1HB ASN 59 5.387 -0.186 4.037 426 HB3 ASN 59 2HB ASN 59 5.837 -0.995 5.536 427 HD21 ASN 59 1HD2 ASN 59 8.512 -1.000 5.505 428 HD22 ASN 59 2HD2 ASN 59 9.131 0.613 5.486 429 H ILE 60 H ILE 60 6.336 -3.159 5.908 430 HA ILE 60 HA ILE 60 4.166 -4.781 4.795 431 HB ILE 60 HB ILE 60 6.491 -5.975 6.308 432 HG12 ILE 60 1HG1 ILE 60 5.738 -6.328 3.400 433 HG13 ILE 60 2HG1 ILE 60 7.035 -5.283 3.968 434 HG21 ILE 60 1HG2 ILE 60 4.441 -7.570 4.852 435 HG22 ILE 60 2HG2 ILE 60 5.415 -7.997 6.259 436 HG23 ILE 60 3HG2 ILE 60 4.039 -6.908 6.437 437 HD11 ILE 60 3HD1 ILE 60 8.319 -7.106 4.702 438 HD12 ILE 60 1HD1 ILE 60 6.956 -8.218 4.574 439 HD13 ILE 60 2HD1 ILE 60 7.700 -7.563 3.115 440 H THR 61 H THR 61 2.578 -5.290 6.225 441 HA THR 61 HA THR 61 2.986 -5.055 9.075 442 HB THR 61 HB THR 61 2.596 -2.723 8.579 443 HG1 THR 61 1HG THR 61 0.051 -3.394 9.476 444 HG21 THR 61 3HG2 THR 61 0.702 -3.811 6.676 445 HG22 THR 61 1HG2 THR 61 1.426 -2.205 6.747 446 HG23 THR 61 2HG2 THR 61 -0.031 -2.557 7.676 447 H THR 62 H THR 62 1.801 -6.560 10.046 448 HA THR 62 HA THR 62 0.071 -8.277 8.671 449 HB THR 62 HB THR 62 -0.685 -8.942 11.046 450 HG1 THR 62 1HG THR 62 0.302 -6.729 11.743 451 HG21 THR 62 3HG2 THR 62 1.526 -9.599 9.516 452 HG22 THR 62 1HG2 THR 62 0.935 -10.481 10.923 453 HG23 THR 62 2HG2 THR 62 2.203 -9.270 11.111 454 H ASP 63 H ASP 63 -0.480 -5.162 9.869 455 HA ASP 63 HA ASP 63 -3.353 -5.549 10.194 456 HB2 ASP 63 1HB ASP 63 -1.438 -3.333 10.804 457 HB3 ASP 63 2HB ASP 63 -3.147 -2.954 10.604 458 H THR 64 H THR 64 -4.852 -4.066 9.094 459 HA THR 64 HA THR 64 -4.228 -3.942 6.273 460 HB THR 64 HB THR 64 -6.674 -2.860 6.354 461 HG1 THR 64 1HG THR 64 -7.679 -4.232 8.164 462 HG21 THR 64 3HG2 THR 64 -7.566 -5.222 6.260 463 HG22 THR 64 1HG2 THR 64 -5.931 -5.768 6.629 464 HG23 THR 64 2HG2 THR 64 -6.246 -4.864 5.148 465 H ARG 65 H ARG 65 -3.112 -2.048 8.442 466 HA ARG 65 HA ARG 65 -3.509 0.388 6.859 467 HB2 ARG 65 1HB ARG 65 -3.775 1.764 8.812 468 HB3 ARG 65 2HB ARG 65 -4.974 0.479 8.875 469 HG2 ARG 65 1HG ARG 65 -4.253 0.381 11.016 470 HG3 ARG 65 2HG ARG 65 -3.063 -0.703 10.293 471 HD2 ARG 65 1HD ARG 65 -1.637 0.661 11.417 472 HD3 ARG 65 2HD ARG 65 -1.779 1.599 9.931 473 HE ARG 65 HE ARG 65 -3.786 2.531 11.536 474 HH11 ARG 65 1HH1 ARG 65 -0.332 2.209 11.826 475 HH12 ARG 65 2HH1 ARG 65 -0.161 3.579 12.872 476 HH21 ARG 65 1HH2 ARG 65 -3.574 4.337 12.913 477 HH22 ARG 65 2HH2 ARG 65 -2.005 4.788 13.491 478 H PHE 66 H PHE 66 -1.798 1.968 7.122 479 HA PHE 66 HA PHE 66 0.603 1.206 8.522 480 HB2 PHE 66 1HB PHE 66 0.635 -0.093 6.336 481 HB3 PHE 66 2HB PHE 66 0.776 1.461 5.520 482 HD1 PHE 66 1HD PHE 66 2.438 -0.869 7.837 483 HD2 PHE 66 2HD PHE 66 2.832 2.637 5.457 484 HE1 PHE 66 1HE PHE 66 4.877 -0.933 8.153 485 HE2 PHE 66 2HE PHE 66 5.272 2.578 5.768 486 HZ PHE 66 HZ PHE 66 6.298 0.792 7.117 487 H THR 67 H THR 67 2.394 2.833 8.057 488 HA THR 67 HA THR 67 1.377 5.444 7.220 489 HB THR 67 HB THR 67 2.629 4.926 9.923 490 HG1 THR 67 1HG THR 67 0.585 4.798 10.446 491 HG21 THR 67 3HG2 THR 67 2.740 7.252 8.275 492 HG22 THR 67 1HG2 THR 67 3.358 7.030 9.912 493 HG23 THR 67 2HG2 THR 67 1.705 7.592 9.661 494 H LEU 68 H LEU 68 2.755 5.979 5.653 495 HA LEU 68 HA LEU 68 5.396 5.028 5.424 496 HB2 LEU 68 1HB LEU 68 4.014 7.375 4.139 497 HB3 LEU 68 2HB LEU 68 5.627 6.821 3.693 498 HG LEU 68 HG LEU 68 4.451 5.759 2.077 499 HD11 LEU 68 1HD1 LEU 68 5.472 4.005 3.460 500 HD12 LEU 68 2HD1 LEU 68 4.008 3.448 2.651 501 HD13 LEU 68 3HD1 LEU 68 3.966 3.858 4.366 502 HD21 LEU 68 3HD2 LEU 68 2.164 5.319 2.068 503 HD22 LEU 68 1HD2 LEU 68 2.299 6.781 3.045 504 HD23 LEU 68 2HD2 LEU 68 2.078 5.216 3.827 505 H THR 69 H THR 69 7.277 6.649 5.130 506 HA THR 69 HA THR 69 7.275 8.933 6.876 507 HB THR 69 HB THR 69 8.936 8.171 8.453 508 HG1 THR 69 1HG THR 69 9.997 6.328 8.208 509 HG21 THR 69 3HG2 THR 69 6.711 6.137 8.279 510 HG22 THR 69 1HG2 THR 69 6.566 7.741 8.994 511 HG23 THR 69 2HG2 THR 69 7.643 6.548 9.718 512 H GLY 70 H GLY 70 9.506 9.922 7.003 513 HA2 GLY 70 1HA GLY 70 11.384 10.727 5.956 514 HA3 GLY 70 2HA GLY 70 11.568 9.128 5.250 515 H LEU 71 H LEU 71 8.713 11.083 4.756 516 HA LEU 71 HA LEU 71 9.370 11.210 1.903 517 HB2 LEU 71 1HB LEU 71 6.708 11.964 3.020 518 HB3 LEU 71 2HB LEU 71 7.108 11.283 1.445 519 HG LEU 71 HG LEU 71 7.312 9.696 3.994 520 HD11 LEU 71 1HD1 LEU 71 4.953 10.715 2.975 521 HD12 LEU 71 2HD1 LEU 71 5.119 9.331 4.053 522 HD13 LEU 71 3HD1 LEU 71 5.035 9.084 2.309 523 HD21 LEU 71 3HD2 LEU 71 6.984 7.829 2.303 524 HD22 LEU 71 1HD2 LEU 71 8.534 8.671 2.264 525 HD23 LEU 71 2HD2 LEU 71 7.299 9.041 1.060 526 H LYS 72 H LYS 72 8.793 13.171 0.709 527 HA LYS 72 HA LYS 72 9.623 15.535 2.188 528 HB2 LYS 72 1HB LYS 72 10.511 14.785 -0.126 529 HB3 LYS 72 2HB LYS 72 9.011 15.456 -0.754 530 HG2 LYS 72 1HG LYS 72 9.571 17.635 0.086 531 HG3 LYS 72 2HG LYS 72 11.004 16.996 0.895 532 HD2 LYS 72 1HD LYS 72 11.954 17.838 -1.013 533 HD3 LYS 72 2HD LYS 72 11.607 16.189 -1.539 534 HE2 LYS 72 1HE LYS 72 9.583 16.920 -2.630 535 HE3 LYS 72 2HE LYS 72 9.794 18.554 -2.003 536 HZ1 LYS 72 3HZ LYS 72 11.335 17.171 -4.102 537 HZ2 LYS 72 1HZ LYS 72 12.011 18.472 -3.259 538 HZ3 LYS 72 2HZ LYS 72 10.593 18.690 -4.155 539 HA PRO 73 HA PRO 73 5.541 17.147 2.610 540 HB2 PRO 73 1HB PRO 73 6.182 19.754 3.013 541 HB3 PRO 73 2HB PRO 73 6.415 18.506 4.243 542 HG2 PRO 73 1HG PRO 73 8.409 19.706 2.361 543 HG3 PRO 73 2HG PRO 73 8.584 19.329 4.084 544 HD2 PRO 73 1HD PRO 73 9.570 17.728 2.135 545 HD3 PRO 73 2HD PRO 73 8.978 17.094 3.684 546 H ASP 74 H ASP 74 3.993 18.035 1.330 547 HA ASP 74 HA ASP 74 2.992 18.904 -0.519 548 HB2 ASP 74 1HB ASP 74 3.980 21.007 0.209 549 HB3 ASP 74 2HB ASP 74 5.496 20.600 -0.591 550 H THR 75 H THR 75 4.149 16.509 -0.961 551 HA THR 75 HA THR 75 4.928 16.727 -3.764 552 HB THR 75 HB THR 75 6.585 15.329 -1.668 553 HG1 THR 75 1HG THR 75 7.695 17.099 -1.991 554 HG21 THR 75 3HG2 THR 75 6.813 15.020 -4.663 555 HG22 THR 75 1HG2 THR 75 6.164 13.798 -3.571 556 HG23 THR 75 2HG2 THR 75 7.854 14.284 -3.445 557 H THR 76 H THR 76 3.967 15.226 -4.992 558 HA THR 76 HA THR 76 2.048 13.466 -3.880 559 HB THR 76 HB THR 76 3.195 13.447 -6.679 560 HG1 THR 76 1HG THR 76 1.575 14.877 -7.168 561 HG21 THR 76 3HG2 THR 76 1.953 11.598 -6.903 562 HG22 THR 76 1HG2 THR 76 0.546 12.651 -6.765 563 HG23 THR 76 2HG2 THR 76 1.181 11.835 -5.335 564 H TYR 77 H TYR 77 2.170 11.387 -3.284 565 HA TYR 77 HA TYR 77 4.615 9.888 -3.954 566 HB2 TYR 77 1HB TYR 77 3.329 10.348 -1.302 567 HB3 TYR 77 2HB TYR 77 4.076 8.783 -1.602 568 HD1 TYR 77 1HD TYR 77 6.488 8.591 -1.904 569 HD2 TYR 77 2HD TYR 77 4.670 12.355 -1.111 570 HE1 TYR 77 1HE TYR 77 8.692 9.532 -1.354 571 HE2 TYR 77 2HE TYR 77 6.870 13.308 -0.560 572 HH TYR 77 HH TYR 77 9.804 11.663 -1.224 573 H ASP 78 H ASP 78 3.976 8.363 -5.333 574 HA ASP 78 HA ASP 78 1.359 7.290 -5.442 575 HB2 ASP 78 1HB ASP 78 2.645 7.270 -7.447 576 HB3 ASP 78 2HB ASP 78 3.973 6.416 -6.668 577 H ILE 79 H ILE 79 0.682 6.344 -3.574 578 HA ILE 79 HA ILE 79 2.303 4.125 -2.517 579 HB ILE 79 HB ILE 79 0.036 5.529 -1.107 580 HG12 ILE 79 1HG1 ILE 79 2.888 5.951 -0.341 581 HG13 ILE 79 2HG1 ILE 79 2.265 6.835 -1.729 582 HG21 ILE 79 1HG2 ILE 79 0.930 3.123 -0.532 583 HG22 ILE 79 2HG2 ILE 79 2.215 4.033 0.260 584 HG23 ILE 79 3HG2 ILE 79 0.537 4.275 0.743 585 HD11 ILE 79 3HD1 ILE 79 2.166 7.778 0.752 586 HD12 ILE 79 1HD1 ILE 79 0.946 8.159 -0.462 587 HD13 ILE 79 2HD1 ILE 79 0.637 6.899 0.734 588 H LYS 80 H LYS 80 1.549 2.099 -2.600 589 HA LYS 80 HA LYS 80 -1.297 1.673 -3.195 590 HB2 LYS 80 1HB LYS 80 -0.358 -0.340 -4.605 591 HB3 LYS 80 2HB LYS 80 -0.489 1.266 -5.311 592 HG2 LYS 80 1HG LYS 80 1.987 1.446 -4.343 593 HG3 LYS 80 2HG LYS 80 1.909 -0.301 -4.583 594 HD2 LYS 80 1HD LYS 80 1.377 1.817 -6.666 595 HD3 LYS 80 2HD LYS 80 2.808 0.788 -6.562 596 HE2 LYS 80 1HE LYS 80 1.353 -1.191 -6.855 597 HE3 LYS 80 2HE LYS 80 -0.028 -0.114 -7.057 598 HZ1 LYS 80 3HZ LYS 80 1.179 -0.996 -9.132 599 HZ2 LYS 80 1HZ LYS 80 2.346 0.177 -8.778 600 HZ3 LYS 80 2HZ LYS 80 0.747 0.639 -9.081 601 H VAL 81 H VAL 81 -1.544 -0.955 -3.176 602 HA VAL 81 HA VAL 81 -0.066 -2.125 -0.968 603 HB VAL 81 HB VAL 81 -2.202 -0.768 -0.171 604 HG11 VAL 81 1HG1 VAL 81 -3.373 -3.470 -0.814 605 HG12 VAL 81 2HG1 VAL 81 -4.188 -2.112 -0.036 606 HG13 VAL 81 3HG1 VAL 81 -3.699 -1.997 -1.727 607 HG21 VAL 81 3HG2 VAL 81 -0.548 -2.473 1.008 608 HG22 VAL 81 1HG2 VAL 81 -2.007 -1.887 1.806 609 HG23 VAL 81 2HG2 VAL 81 -2.000 -3.474 1.037 610 H ARG 82 H ARG 82 -0.858 -4.407 -0.539 611 HA ARG 82 HA ARG 82 -2.357 -5.725 -2.589 612 HB2 ARG 82 1HB ARG 82 -0.616 -7.018 -3.593 613 HB3 ARG 82 2HB ARG 82 -0.139 -5.329 -3.697 614 HG2 ARG 82 1HG ARG 82 1.240 -5.709 -1.624 615 HG3 ARG 82 2HG ARG 82 0.914 -7.431 -1.829 616 HD2 ARG 82 1HD ARG 82 2.141 -5.695 -3.962 617 HD3 ARG 82 2HD ARG 82 3.085 -6.628 -2.802 618 HE ARG 82 HE ARG 82 1.293 -8.374 -4.019 619 HH11 ARG 82 1HH1 ARG 82 4.017 -6.393 -4.901 620 HH12 ARG 82 2HH1 ARG 82 4.514 -7.427 -6.199 621 HH21 ARG 82 1HH2 ARG 82 1.938 -9.743 -5.726 622 HH22 ARG 82 2HH2 ARG 82 3.330 -9.331 -6.668 623 H ALA 83 H ALA 83 -3.231 -7.533 -1.782 624 HA ALA 83 HA ALA 83 -2.608 -8.310 0.911 625 HB1 ALA 83 3HB ALA 83 -4.384 -10.048 -0.663 626 HB2 ALA 83 1HB ALA 83 -4.625 -9.308 0.920 627 HB3 ALA 83 2HB ALA 83 -4.883 -8.360 -0.545 628 H TRP 84 H TRP 84 -1.781 -10.268 1.629 629 HA TRP 84 HA TRP 84 -0.448 -11.908 -0.426 630 HB2 TRP 84 1HB TRP 84 0.534 -11.041 2.292 631 HB3 TRP 84 2HB TRP 84 1.259 -12.383 1.410 632 HD1 TRP 84 HD TRP 84 0.469 -8.640 0.706 633 HE1 TRP 84 1HE TRP 84 2.418 -7.673 -0.670 634 HE3 TRP 84 3HE TRP 84 3.291 -12.873 0.209 635 HZ2 TRP 84 2HZ TRP 84 4.831 -8.584 -1.815 636 HZ3 TRP 84 3HZ TRP 84 5.406 -12.741 -1.042 637 HH2 TRP 84 HH TRP 84 6.158 -10.640 -2.032 638 H THR 85 H THR 85 -0.496 -14.120 -0.199 639 HA THR 85 HA THR 85 -2.205 -15.154 1.971 640 HB THR 85 HB THR 85 -2.873 -16.969 0.396 641 HG1 THR 85 1HG THR 85 -2.381 -16.710 -1.797 642 HG21 THR 85 3HG2 THR 85 -3.809 -14.804 -1.215 643 HG22 THR 85 1HG2 THR 85 -3.746 -14.278 0.466 644 HG23 THR 85 2HG2 THR 85 -4.673 -15.711 0.026 645 H SER 86 H SER 86 -1.782 -17.356 2.648 646 HA SER 86 HA SER 86 0.739 -17.899 3.461 647 HB2 SER 86 1HB SER 86 -0.919 -19.280 4.369 648 HB3 SER 86 2HB SER 86 -1.533 -19.748 2.784 649 HG SER 86 HG SER 86 0.792 -20.627 4.115 650 H LYS 87 H LYS 87 -0.505 -18.294 0.263 651 HA LYS 87 HA LYS 87 1.595 -20.034 -0.654 652 HB2 LYS 87 1HB LYS 87 -0.371 -18.377 -2.246 653 HB3 LYS 87 2HB LYS 87 0.638 -19.672 -2.877 654 HG2 LYS 87 1HG LYS 87 -1.187 -20.302 -0.623 655 HG3 LYS 87 2HG LYS 87 -1.887 -20.062 -2.226 656 HD2 LYS 87 1HD LYS 87 -0.109 -21.712 -3.045 657 HD3 LYS 87 2HD LYS 87 0.124 -22.113 -1.342 658 HE2 LYS 87 1HE LYS 87 -2.597 -22.157 -2.608 659 HE3 LYS 87 2HE LYS 87 -1.512 -23.542 -2.715 660 HZ1 LYS 87 3HZ LYS 87 -3.219 -23.343 -0.776 661 HZ2 LYS 87 1HZ LYS 87 -2.034 -22.354 -0.083 662 HZ3 LYS 87 2HZ LYS 87 -1.668 -23.955 -0.486 663 H GLY 88 H GLY 88 0.706 -16.688 -1.546 664 HA2 GLY 88 1HA GLY 88 3.402 -15.762 -1.295 665 HA3 GLY 88 2HA GLY 88 2.957 -16.019 -2.975 666 H SER 89 H SER 89 2.420 -14.185 -3.933 667 HA SER 89 HA SER 89 0.728 -12.280 -2.462 668 HB2 SER 89 1HB SER 89 1.969 -10.409 -3.398 669 HB3 SER 89 2HB SER 89 3.079 -11.469 -2.529 670 HG SER 89 HG SER 89 3.267 -12.448 -4.810 671 H GLY 90 H GLY 90 -0.275 -10.642 -4.014 672 HA2 GLY 90 1HA GLY 90 -0.992 -12.007 -6.536 673 HA3 GLY 90 2HA GLY 90 -2.185 -11.195 -5.533 674 HA PRO 91 HA PRO 91 -1.208 -8.069 -8.667 675 HB2 PRO 91 1HB PRO 91 -3.562 -6.747 -8.381 676 HB3 PRO 91 2HB PRO 91 -3.391 -8.201 -9.372 677 HG2 PRO 91 1HG PRO 91 -4.446 -7.922 -6.584 678 HG3 PRO 91 2HG PRO 91 -5.078 -8.891 -7.928 679 HD2 PRO 91 1HD PRO 91 -3.599 -9.963 -5.929 680 HD3 PRO 91 2HD PRO 91 -3.551 -10.584 -7.592 681 H LEU 92 H LEU 92 -1.589 -5.570 -8.504 682 HA LEU 92 HA LEU 92 -0.903 -4.714 -5.769 683 HB2 LEU 92 1HB LEU 92 0.371 -4.153 -8.378 684 HB3 LEU 92 2HB LEU 92 0.251 -2.803 -7.252 685 HG LEU 92 HG LEU 92 1.471 -5.419 -6.427 686 HD11 LEU 92 1HD1 LEU 92 3.534 -4.878 -7.262 687 HD12 LEU 92 2HD1 LEU 92 3.168 -3.156 -7.359 688 HD13 LEU 92 3HD1 LEU 92 2.494 -4.268 -8.550 689 HD21 LEU 92 3HD2 LEU 92 0.941 -3.931 -4.626 690 HD22 LEU 92 1HD2 LEU 92 1.692 -2.572 -5.462 691 HD23 LEU 92 2HD2 LEU 92 2.688 -3.903 -4.870 692 H SER 93 H SER 93 -2.489 -3.535 -4.943 693 HA SER 93 HA SER 93 -4.677 -2.497 -6.217 694 HB2 SER 93 1HB SER 93 -5.183 -1.379 -4.235 695 HB3 SER 93 2HB SER 93 -4.083 -2.638 -3.675 696 HG SER 93 HG SER 93 -3.348 0.033 -4.299 697 HA PRO 94 HA PRO 94 -3.475 1.048 -8.508 698 HB2 PRO 94 1HB PRO 94 -5.660 2.632 -8.220 699 HB3 PRO 94 2HB PRO 94 -5.654 1.177 -9.224 700 HG2 PRO 94 1HG PRO 94 -6.684 1.552 -6.438 701 HG3 PRO 94 2HG PRO 94 -7.418 0.676 -7.794 702 HD2 PRO 94 1HD PRO 94 -6.085 -0.579 -5.799 703 HD3 PRO 94 2HD PRO 94 -6.100 -1.187 -7.467 704 H SER 95 H SER 95 -1.927 2.388 -7.829 705 HA SER 95 HA SER 95 -1.555 3.419 -5.309 706 HB2 SER 95 1HB SER 95 -0.362 5.352 -6.748 707 HB3 SER 95 2HB SER 95 0.331 3.741 -6.559 708 HG SER 95 HG SER 95 -1.198 4.723 -8.736 709 H ILE 96 H ILE 96 -1.911 5.450 -4.342 710 HA ILE 96 HA ILE 96 -4.295 6.829 -5.369 711 HB ILE 96 HB ILE 96 -4.317 7.794 -2.972 712 HG12 ILE 96 1HG1 ILE 96 -2.644 5.319 -2.495 713 HG13 ILE 96 2HG1 ILE 96 -2.021 6.964 -2.432 714 HG21 ILE 96 1HG2 ILE 96 -5.579 5.868 -2.156 715 HG22 ILE 96 2HG2 ILE 96 -5.965 6.219 -3.840 716 HG23 ILE 96 3HG2 ILE 96 -4.898 4.873 -3.443 717 HD11 ILE 96 3HD1 ILE 96 -2.423 6.685 -0.234 718 HD12 ILE 96 1HD1 ILE 96 -4.039 7.211 -0.707 719 HD13 ILE 96 2HD1 ILE 96 -3.694 5.493 -0.503 720 H GLN 97 H GLN 97 -0.956 7.244 -4.547 721 HA GLN 97 HA GLN 97 0.491 8.978 -4.818 722 HB2 GLN 97 1HB GLN 97 -1.752 9.710 -6.637 723 HB3 GLN 97 2HB GLN 97 -0.549 10.942 -6.279 724 HG2 GLN 97 1HG GLN 97 1.092 9.876 -7.423 725 HG3 GLN 97 2HG GLN 97 0.443 8.273 -7.082 726 HE21 GLN 97 1HE2 GLN 97 -0.136 7.283 -8.866 727 HE22 GLN 97 2HE2 GLN 97 -0.898 8.006 -10.237 728 H SER 98 H SER 98 -0.738 8.952 -2.426 729 HA SER 98 HA SER 98 -2.116 11.326 -1.741 730 HB2 SER 98 1HB SER 98 -1.966 9.111 -0.429 731 HB3 SER 98 2HB SER 98 -0.440 9.738 0.195 732 HG SER 98 HG SER 98 -1.548 11.475 1.075 733 H ARG 99 H ARG 99 -1.270 13.287 -1.984 734 HA ARG 99 HA ARG 99 1.570 13.751 -1.804 735 HB2 ARG 99 1HB ARG 99 0.249 14.955 -3.464 736 HB3 ARG 99 2HB ARG 99 -0.739 15.663 -2.194 737 HG2 ARG 99 1HG ARG 99 1.132 16.924 -1.367 738 HG3 ARG 99 2HG ARG 99 2.219 16.123 -2.504 739 HD2 ARG 99 1HD ARG 99 0.458 17.066 -4.253 740 HD3 ARG 99 2HD ARG 99 0.198 18.248 -2.970 741 HE ARG 99 HE ARG 99 2.898 18.185 -3.253 742 HH11 ARG 99 1HH1 ARG 99 0.240 18.677 -5.448 743 HH12 ARG 99 2HH1 ARG 99 1.137 19.713 -6.508 744 HH21 ARG 99 1HH2 ARG 99 4.089 19.548 -4.641 745 HH22 ARG 99 2HH2 ARG 99 3.327 20.207 -6.048 746 H THR 100 H THR 100 2.543 13.914 0.099 747 HA THR 100 HA THR 100 1.452 14.148 2.584 748 HB THR 100 HB THR 100 3.604 14.967 3.398 749 HG1 THR 100 1HG THR 100 4.061 15.495 0.641 750 HG21 THR 100 3HG2 THR 100 5.083 13.278 2.038 751 HG22 THR 100 1HG2 THR 100 3.538 12.820 1.321 752 HG23 THR 100 2HG2 THR 100 3.774 12.691 3.065 753 H MET 101 H MET 101 1.239 15.873 4.107 754 HA MET 101 HA MET 101 -0.062 18.155 3.059 755 HB2 MET 101 1HB MET 101 -0.609 18.655 5.229 756 HB3 MET 101 2HB MET 101 -0.226 16.948 5.407 757 HG2 MET 101 1HG MET 101 1.950 17.463 6.264 758 HG3 MET 101 2HG MET 101 1.721 19.178 5.929 759 HE1 MET 101 3HE MET 101 -0.151 16.277 7.287 760 HE2 MET 101 1HE MET 101 -0.411 16.613 8.999 761 HE3 MET 101 2HE MET 101 -1.523 17.264 7.795 762 HA PRO 102 HA PRO 102 3.348 20.845 2.311 763 HB2 PRO 102 1HB PRO 102 2.013 23.209 2.345 764 HB3 PRO 102 2HB PRO 102 1.901 22.062 1.005 765 HG2 PRO 102 1HG PRO 102 0.010 22.503 3.284 766 HG3 PRO 102 2HG PRO 102 -0.348 22.252 1.565 767 HD2 PRO 102 1HD PRO 102 -0.560 20.274 3.402 768 HD3 PRO 102 2HD PRO 102 -0.093 19.966 1.717 769 H VAL 103 H VAL 103 4.618 20.674 4.155 770 HA VAL 103 HA VAL 103 4.103 21.447 6.725 771 HB VAL 103 HB VAL 103 6.167 20.333 6.168 772 HG11 VAL 103 1HG1 VAL 103 7.742 22.514 5.189 773 HG12 VAL 103 2HG1 VAL 103 7.443 20.938 4.454 774 HG13 VAL 103 3HG1 VAL 103 6.341 22.280 4.144 775 HG21 VAL 103 3HG2 VAL 103 7.743 22.317 7.187 776 HG22 VAL 103 1HG2 VAL 103 6.132 22.838 7.680 777 HG23 VAL 103 2HG2 VAL 103 6.722 21.242 8.143 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -2.602 -28.023 -12.586 2 HA2 GLY 1 1HA GLY 1 -0.764 -30.162 -12.055 3 HA3 GLY 1 2HA GLY 1 -0.579 -29.509 -13.676 4 H SER 2 H SER 2 1.011 -28.090 -13.812 5 HA SER 2 HA SER 2 1.790 -26.583 -11.428 6 HB2 SER 2 1HB SER 2 3.221 -26.887 -14.079 7 HB3 SER 2 2HB SER 2 3.865 -26.097 -12.640 8 HG SER 2 HG SER 2 3.780 -28.097 -11.574 9 H SER 3 H SER 3 1.133 -26.029 -14.881 10 HA SER 3 HA SER 3 1.380 -23.330 -15.072 11 HB2 SER 3 1HB SER 3 -0.562 -25.240 -16.329 12 HB3 SER 3 2HB SER 3 -0.699 -23.512 -16.653 13 HG SER 3 HG SER 3 1.744 -24.901 -16.951 14 H GLY 4 H GLY 4 0.708 -21.794 -13.730 15 HA2 GLY 4 1HA GLY 4 -1.703 -20.765 -13.356 16 HA3 GLY 4 2HA GLY 4 -1.791 -22.135 -12.258 17 H SER 5 H SER 5 -1.061 -18.911 -12.494 18 HA SER 5 HA SER 5 1.141 -18.597 -10.789 19 HB2 SER 5 1HB SER 5 0.107 -16.802 -12.214 20 HB3 SER 5 2HB SER 5 -1.202 -16.699 -11.038 21 HG SER 5 HG SER 5 0.048 -15.453 -9.920 22 H SER 6 H SER 6 1.259 -18.035 -8.574 23 HA SER 6 HA SER 6 -0.951 -19.147 -6.982 24 HB2 SER 6 1HB SER 6 0.634 -19.755 -5.317 25 HB3 SER 6 2HB SER 6 1.364 -20.209 -6.856 26 HG SER 6 HG SER 6 2.257 -17.889 -6.619 27 H GLY 7 H GLY 7 -1.556 -18.105 -5.019 28 HA2 GLY 7 1HA GLY 7 -1.256 -16.227 -3.484 29 HA3 GLY 7 2HA GLY 7 -0.752 -15.267 -4.867 30 HA PRO 8 HA PRO 8 -5.315 -14.624 -3.944 31 HB2 PRO 8 1HB PRO 8 -5.148 -11.957 -3.467 32 HB3 PRO 8 2HB PRO 8 -4.950 -13.173 -2.200 33 HG2 PRO 8 1HG PRO 8 -2.859 -11.665 -3.721 34 HG3 PRO 8 2HG PRO 8 -2.933 -12.035 -1.988 35 HD2 PRO 8 1HD PRO 8 -1.396 -13.445 -3.715 36 HD3 PRO 8 2HD PRO 8 -2.149 -14.182 -2.285 37 H SER 9 H SER 9 -6.792 -13.698 -5.361 38 HA SER 9 HA SER 9 -5.628 -12.448 -7.764 39 HB2 SER 9 1HB SER 9 -6.643 -14.819 -7.950 40 HB3 SER 9 2HB SER 9 -8.202 -14.012 -7.779 41 HG SER 9 HG SER 9 -6.686 -14.244 -9.957 42 H GLY 10 H GLY 10 -6.681 -11.182 -5.304 43 HA2 GLY 10 1HA GLY 10 -8.442 -9.292 -6.637 44 HA3 GLY 10 2HA GLY 10 -9.143 -10.139 -5.265 45 H PHE 11 H PHE 11 -7.614 -7.374 -6.177 46 HA PHE 11 HA PHE 11 -5.972 -6.962 -3.853 47 HB2 PHE 11 1HB PHE 11 -5.871 -4.589 -4.736 48 HB3 PHE 11 2HB PHE 11 -5.279 -5.833 -5.831 49 HD1 PHE 11 2HD PHE 11 -6.560 -6.457 -7.813 50 HD2 PHE 11 1HD PHE 11 -7.844 -3.327 -5.231 51 HE1 PHE 11 2HE PHE 11 -8.101 -5.658 -9.555 52 HE2 PHE 11 1HE PHE 11 -9.389 -2.522 -6.969 53 HZ PHE 11 HZ PHE 11 -9.518 -3.687 -9.135 54 HA PRO 12 HA PRO 12 -8.935 -5.345 -1.050 55 HB2 PRO 12 1HB PRO 12 -7.473 -3.461 0.248 56 HB3 PRO 12 2HB PRO 12 -7.231 -5.196 0.484 57 HG2 PRO 12 1HG PRO 12 -5.686 -3.283 -1.224 58 HG3 PRO 12 2HG PRO 12 -5.086 -4.572 -0.163 59 HD2 PRO 12 1HD PRO 12 -5.283 -4.868 -2.848 60 HD3 PRO 12 2HD PRO 12 -5.507 -6.220 -1.719 61 H GLN 13 H GLN 13 -9.819 -3.180 -0.205 62 HA GLN 13 HA GLN 13 -9.767 -1.118 -2.294 63 HB2 GLN 13 1HB GLN 13 -12.362 -1.805 -0.972 64 HB3 GLN 13 2HB GLN 13 -12.074 -1.022 -2.520 65 HG2 GLN 13 1HG GLN 13 -11.296 -3.876 -2.106 66 HG3 GLN 13 2HG GLN 13 -12.968 -3.444 -2.461 67 HE21 GLN 13 1HE2 GLN 13 -11.896 -5.024 -4.233 68 HE22 GLN 13 2HE2 GLN 13 -11.441 -4.191 -5.676 69 H ASN 14 H ASN 14 -11.244 0.813 -1.403 70 HA ASN 14 HA ASN 14 -11.413 2.525 0.085 71 HB2 ASN 14 1HB ASN 14 -11.417 0.118 1.836 72 HB3 ASN 14 2HB ASN 14 -11.157 1.679 2.609 73 HD21 ASN 14 1HD2 ASN 14 -13.211 0.538 -0.052 74 HD22 ASN 14 2HD2 ASN 14 -14.687 1.162 0.596 75 H LEU 15 H LEU 15 -8.825 1.737 -1.017 76 HA LEU 15 HA LEU 15 -6.853 2.123 1.032 77 HB2 LEU 15 1HB LEU 15 -6.525 0.828 -1.101 78 HB3 LEU 15 2HB LEU 15 -6.484 2.374 -1.945 79 HG LEU 15 HG LEU 15 -4.503 2.996 -0.560 80 HD11 LEU 15 1HD1 LEU 15 -3.317 0.895 0.390 81 HD12 LEU 15 2HD1 LEU 15 -4.945 0.220 0.457 82 HD13 LEU 15 3HD1 LEU 15 -4.565 1.694 1.347 83 HD21 LEU 15 3HD2 LEU 15 -3.661 0.501 -1.865 84 HD22 LEU 15 1HD2 LEU 15 -3.134 2.162 -2.136 85 HD23 LEU 15 2HD2 LEU 15 -4.632 1.582 -2.865 86 H HIS 16 H HIS 16 -6.363 4.004 1.925 87 HA HIS 16 HA HIS 16 -5.839 6.346 0.419 88 HB2 HIS 16 1HB HIS 16 -7.656 7.737 1.565 89 HB3 HIS 16 2HB HIS 16 -8.164 6.702 0.234 90 HD1 HIS 16 1HD HIS 16 -9.904 4.954 0.732 91 HD2 HIS 16 2HD HIS 16 -8.397 6.743 4.165 92 HE1 HIS 16 1HE HIS 16 -11.363 4.139 2.611 93 HE2 HIS 16 2HE HIS 16 -10.486 5.301 4.665 94 H VAL 17 H VAL 17 -5.811 8.326 2.111 95 HA VAL 17 HA VAL 17 -4.288 7.311 4.414 96 HB VAL 17 HB VAL 17 -4.178 10.053 3.149 97 HG11 VAL 17 1HG1 VAL 17 -3.271 10.625 5.108 98 HG12 VAL 17 2HG1 VAL 17 -3.124 8.945 5.627 99 HG13 VAL 17 3HG1 VAL 17 -1.878 9.667 4.608 100 HG21 VAL 17 3HG2 VAL 17 -2.191 7.790 2.975 101 HG22 VAL 17 1HG2 VAL 17 -3.299 8.270 1.689 102 HG23 VAL 17 2HG2 VAL 17 -2.041 9.381 2.231 103 H THR 18 H THR 18 -4.974 7.681 6.425 104 HA THR 18 HA THR 18 -7.445 9.178 6.794 105 HB THR 18 HB THR 18 -7.252 6.946 7.817 106 HG1 THR 18 1HG THR 18 -7.662 9.267 9.326 107 HG21 THR 18 3HG2 THR 18 -5.070 8.219 9.472 108 HG22 THR 18 1HG2 THR 18 -4.868 6.920 8.297 109 HG23 THR 18 2HG2 THR 18 -5.785 6.636 9.776 110 H GLY 19 H GLY 19 -4.089 9.625 7.180 111 HA2 GLY 19 1HA GLY 19 -4.398 12.295 8.083 112 HA3 GLY 19 2HA GLY 19 -3.903 11.265 9.418 113 H LEU 20 H LEU 20 -3.010 12.261 6.138 114 HA LEU 20 HA LEU 20 -0.415 11.164 6.166 115 HB2 LEU 20 1HB LEU 20 -0.122 12.170 4.144 116 HB3 LEU 20 2HB LEU 20 -1.882 12.178 4.239 117 HG LEU 20 HG LEU 20 0.004 14.488 4.654 118 HD11 LEU 20 1HD1 LEU 20 -0.384 14.718 2.472 119 HD12 LEU 20 2HD1 LEU 20 -2.017 15.202 2.925 120 HD13 LEU 20 3HD1 LEU 20 -1.683 13.526 2.492 121 HD21 LEU 20 3HD2 LEU 20 -2.425 15.615 4.839 122 HD22 LEU 20 1HD2 LEU 20 -1.478 15.115 6.241 123 HD23 LEU 20 2HD2 LEU 20 -2.755 14.068 5.621 124 H THR 21 H THR 21 1.577 12.625 5.935 125 HA THR 21 HA THR 21 1.510 14.918 7.748 126 HB THR 21 HB THR 21 3.586 12.757 8.102 127 HG1 THR 21 1HG THR 21 1.780 11.773 8.843 128 HG21 THR 21 3HG2 THR 21 4.412 14.774 8.962 129 HG22 THR 21 1HG2 THR 21 3.727 13.963 10.369 130 HG23 THR 21 2HG2 THR 21 2.834 15.263 9.580 131 H THR 22 H THR 22 3.538 16.174 7.691 132 HA THR 22 HA THR 22 4.306 16.850 5.121 133 HB THR 22 HB THR 22 6.093 18.158 6.087 134 HG1 THR 22 1HG THR 22 5.633 17.032 8.633 135 HG21 THR 22 3HG2 THR 22 3.836 18.147 8.085 136 HG22 THR 22 1HG2 THR 22 3.693 18.835 6.468 137 HG23 THR 22 2HG2 THR 22 4.855 19.506 7.613 138 H SER 23 H SER 23 6.022 14.787 7.454 139 HA SER 23 HA SER 23 7.867 13.974 5.321 140 HB2 SER 23 1HB SER 23 8.065 13.416 8.289 141 HB3 SER 23 2HB SER 23 9.314 13.138 7.076 142 HG SER 23 HG SER 23 8.777 15.613 6.764 143 H THR 24 H THR 24 5.549 12.717 7.653 144 HA THR 24 HA THR 24 5.830 10.037 6.482 145 HB THR 24 HB THR 24 4.926 9.112 8.429 146 HG1 THR 24 1HG THR 24 3.126 10.282 8.852 147 HG21 THR 24 3HG2 THR 24 6.552 11.532 9.199 148 HG22 THR 24 1HG2 THR 24 7.127 9.886 8.934 149 HG23 THR 24 2HG2 THR 24 6.116 10.253 10.332 150 H THR 25 H THR 25 3.719 8.781 6.378 151 HA THR 25 HA THR 25 1.381 10.411 5.782 152 HB THR 25 HB THR 25 2.889 8.845 3.717 153 HG1 THR 25 1HG THR 25 2.517 11.368 4.156 154 HG21 THR 25 3HG2 THR 25 0.662 7.845 3.746 155 HG22 THR 25 1HG2 THR 25 0.883 8.826 2.298 156 HG23 THR 25 2HG2 THR 25 -0.072 9.445 3.646 157 H GLU 26 H GLU 26 -0.173 9.464 6.921 158 HA GLU 26 HA GLU 26 -0.069 6.717 7.698 159 HB2 GLU 26 1HB GLU 26 -2.122 8.895 8.015 160 HB3 GLU 26 2HB GLU 26 -2.446 7.245 8.529 161 HG2 GLU 26 1HG GLU 26 -0.285 7.441 9.883 162 HG3 GLU 26 2HG GLU 26 -0.423 9.175 9.597 163 H LEU 27 H LEU 27 -1.959 5.238 7.347 164 HA LEU 27 HA LEU 27 -3.334 5.596 4.804 165 HB2 LEU 27 1HB LEU 27 -1.641 3.168 5.372 166 HB3 LEU 27 2HB LEU 27 -2.627 3.445 3.938 167 HG LEU 27 HG LEU 27 -0.201 5.064 4.710 168 HD11 LEU 27 1HD1 LEU 27 -0.510 2.952 2.582 169 HD12 LEU 27 2HD1 LEU 27 0.362 2.752 4.102 170 HD13 LEU 27 3HD1 LEU 27 0.932 3.914 2.904 171 HD21 LEU 27 3HD2 LEU 27 -1.146 5.119 1.952 172 HD22 LEU 27 1HD2 LEU 27 -0.664 6.442 3.014 173 HD23 LEU 27 2HD2 LEU 27 -2.301 5.792 3.103 174 H ALA 28 H ALA 28 -4.943 3.830 4.425 175 HA ALA 28 HA ALA 28 -5.715 2.104 6.542 176 HB1 ALA 28 3HB ALA 28 -6.629 3.744 7.818 177 HB2 ALA 28 1HB ALA 28 -6.919 4.808 6.441 178 HB3 ALA 28 2HB ALA 28 -8.003 3.451 6.752 179 H TRP 29 H TRP 29 -6.195 0.470 5.203 180 HA TRP 29 HA TRP 29 -8.235 0.961 3.135 181 HB2 TRP 29 1HB TRP 29 -7.151 -0.768 1.748 182 HB3 TRP 29 2HB TRP 29 -6.077 0.593 2.059 183 HD1 TRP 29 HD TRP 29 -6.486 -3.124 2.774 184 HE1 TRP 29 1HE TRP 29 -4.303 -4.021 3.802 185 HE3 TRP 29 3HE TRP 29 -4.049 1.311 3.501 186 HZ2 TRP 29 2HZ TRP 29 -1.871 -2.985 4.791 187 HZ3 TRP 29 3HZ TRP 29 -1.798 1.271 4.493 188 HH2 TRP 29 HH TRP 29 -0.733 -0.834 5.125 189 H ASP 30 H ASP 30 -8.964 -1.436 2.355 190 HA ASP 30 HA ASP 30 -9.628 -2.932 4.804 191 HB2 ASP 30 1HB ASP 30 -11.394 -1.864 2.669 192 HB3 ASP 30 2HB ASP 30 -11.776 -3.470 3.284 193 HA PRO 31 HA PRO 31 -8.350 -6.626 2.817 194 HB2 PRO 31 1HB PRO 31 -10.230 -8.421 3.604 195 HB3 PRO 31 2HB PRO 31 -9.008 -7.767 4.701 196 HG2 PRO 31 1HG PRO 31 -11.868 -6.956 4.353 197 HG3 PRO 31 2HG PRO 31 -10.941 -7.174 5.849 198 HD2 PRO 31 1HD PRO 31 -11.417 -4.736 4.772 199 HD3 PRO 31 2HD PRO 31 -9.934 -5.108 5.674 200 HA PRO 32 HA PRO 32 -10.402 -7.242 -1.026 201 HB2 PRO 32 1HB PRO 32 -9.706 -9.803 -1.596 202 HB3 PRO 32 2HB PRO 32 -8.564 -8.456 -1.679 203 HG2 PRO 32 1HG PRO 32 -8.959 -10.472 0.498 204 HG3 PRO 32 2HG PRO 32 -7.448 -9.841 -0.182 205 HD2 PRO 32 1HD PRO 32 -8.474 -8.952 2.161 206 HD3 PRO 32 2HD PRO 32 -7.547 -7.906 1.066 207 H VAL 33 H VAL 33 -12.254 -8.096 -1.948 208 HA VAL 33 HA VAL 33 -14.270 -9.018 -0.225 209 HB VAL 33 HB VAL 33 -15.554 -9.500 -2.324 210 HG11 VAL 33 1HG1 VAL 33 -16.037 -7.286 -2.662 211 HG12 VAL 33 2HG1 VAL 33 -15.160 -7.185 -1.134 212 HG13 VAL 33 3HG1 VAL 33 -14.342 -6.800 -2.648 213 HG21 VAL 33 3HG2 VAL 33 -13.736 -8.164 -4.112 214 HG22 VAL 33 1HG2 VAL 33 -12.999 -9.624 -3.452 215 HG23 VAL 33 2HG2 VAL 33 -14.546 -9.720 -4.295 216 H LEU 34 H LEU 34 -15.067 -11.007 0.241 217 HA LEU 34 HA LEU 34 -13.415 -13.250 0.087 218 HB2 LEU 34 1HB LEU 34 -15.336 -14.526 0.860 219 HB3 LEU 34 2HB LEU 34 -15.173 -13.012 1.746 220 HG LEU 34 HG LEU 34 -16.936 -12.212 -0.085 221 HD11 LEU 34 1HD1 LEU 34 -17.076 -15.178 -0.067 222 HD12 LEU 34 2HD1 LEU 34 -17.385 -14.035 -1.374 223 HD13 LEU 34 3HD1 LEU 34 -18.589 -14.272 -0.108 224 HD21 LEU 34 3HD2 LEU 34 -17.846 -13.849 2.266 225 HD22 LEU 34 1HD2 LEU 34 -18.598 -12.414 1.569 226 HD23 LEU 34 2HD2 LEU 34 -17.077 -12.272 2.450 227 H ALA 35 H ALA 35 -15.595 -11.927 -2.217 228 HA ALA 35 HA ALA 35 -16.218 -14.241 -3.700 229 HB1 ALA 35 3HB ALA 35 -16.252 -11.315 -4.247 230 HB2 ALA 35 1HB ALA 35 -16.410 -12.434 -5.602 231 HB3 ALA 35 2HB ALA 35 -17.571 -12.485 -4.274 232 H GLU 36 H GLU 36 -13.492 -12.008 -3.815 233 HA GLU 36 HA GLU 36 -12.324 -13.452 -6.065 234 HB2 GLU 36 1HB GLU 36 -11.464 -10.961 -4.591 235 HB3 GLU 36 2HB GLU 36 -10.537 -11.691 -5.894 236 HG2 GLU 36 1HG GLU 36 -13.288 -10.492 -6.063 237 HG3 GLU 36 2HG GLU 36 -11.802 -9.879 -6.786 238 H ARG 37 H ARG 37 -11.678 -12.745 -2.662 239 HA ARG 37 HA ARG 37 -9.195 -13.692 -2.229 240 HB2 ARG 37 1HB ARG 37 -11.685 -14.202 -0.605 241 HB3 ARG 37 2HB ARG 37 -10.079 -14.647 -0.045 242 HG2 ARG 37 1HG ARG 37 -9.381 -12.315 -0.159 243 HG3 ARG 37 2HG ARG 37 -10.984 -11.861 -0.742 244 HD2 ARG 37 1HD ARG 37 -10.756 -11.426 1.649 245 HD3 ARG 37 2HD ARG 37 -11.974 -12.662 1.339 246 HE ARG 37 HE ARG 37 -9.658 -14.050 1.794 247 HH11 ARG 37 1HH1 ARG 37 -11.542 -11.708 3.552 248 HH12 ARG 37 2HH1 ARG 37 -11.092 -12.321 5.108 249 HH21 ARG 37 1HH2 ARG 37 -9.058 -14.866 3.838 250 HH22 ARG 37 2HH2 ARG 37 -9.678 -14.116 5.270 251 H ASN 38 H ASN 38 -8.155 -15.427 -2.931 252 HA ASN 38 HA ASN 38 -9.584 -17.806 -3.729 253 HB2 ASN 38 1HB ASN 38 -6.768 -16.830 -3.947 254 HB3 ASN 38 2HB ASN 38 -7.073 -18.558 -4.102 255 HD21 ASN 38 1HD2 ASN 38 -6.071 -16.799 -6.113 256 HD22 ASN 38 2HD2 ASN 38 -7.206 -16.811 -7.416 257 H GLY 39 H GLY 39 -7.312 -16.862 -1.191 258 HA2 GLY 39 1HA GLY 39 -8.034 -19.338 0.238 259 HA3 GLY 39 2HA GLY 39 -6.354 -18.836 0.121 260 H ARG 40 H ARG 40 -5.567 -17.625 1.715 261 HA ARG 40 HA ARG 40 -7.424 -16.011 3.315 262 HB2 ARG 40 1HB ARG 40 -5.299 -17.843 4.443 263 HB3 ARG 40 2HB ARG 40 -6.296 -16.736 5.379 264 HG2 ARG 40 1HG ARG 40 -8.227 -18.000 5.042 265 HG3 ARG 40 2HG ARG 40 -7.523 -18.879 3.684 266 HD2 ARG 40 1HD ARG 40 -5.796 -19.651 5.517 267 HD3 ARG 40 2HD ARG 40 -7.121 -19.254 6.611 268 HE ARG 40 HE ARG 40 -8.357 -20.808 4.829 269 HH11 ARG 40 1HH1 ARG 40 -5.333 -21.207 6.506 270 HH12 ARG 40 2HH1 ARG 40 -5.419 -22.937 6.521 271 HH21 ARG 40 1HH2 ARG 40 -8.483 -23.085 4.842 272 HH22 ARG 40 2HH2 ARG 40 -7.211 -24.005 5.573 273 H ILE 41 H ILE 41 -6.304 -14.378 4.654 274 HA ILE 41 HA ILE 41 -3.970 -13.335 3.209 275 HB ILE 41 HB ILE 41 -5.712 -11.823 5.150 276 HG12 ILE 41 1HG1 ILE 41 -7.220 -12.440 3.441 277 HG13 ILE 41 2HG1 ILE 41 -6.680 -10.825 2.997 278 HG21 ILE 41 1HG2 ILE 41 -4.674 -10.072 3.300 279 HG22 ILE 41 2HG2 ILE 41 -4.056 -10.344 4.928 280 HG23 ILE 41 3HG2 ILE 41 -3.352 -11.209 3.563 281 HD11 ILE 41 3HD1 ILE 41 -6.811 -12.427 1.107 282 HD12 ILE 41 1HD1 ILE 41 -5.219 -11.702 1.329 283 HD13 ILE 41 2HD1 ILE 41 -5.518 -13.356 1.866 284 H ILE 42 H ILE 42 -2.150 -12.570 4.313 285 HA ILE 42 HA ILE 42 -1.945 -13.368 7.140 286 HB ILE 42 HB ILE 42 0.435 -13.980 6.703 287 HG12 ILE 42 1HG1 ILE 42 -0.381 -13.939 3.793 288 HG13 ILE 42 2HG1 ILE 42 0.587 -12.682 4.554 289 HG21 ILE 42 1HG2 ILE 42 -0.099 -16.156 5.611 290 HG22 ILE 42 2HG2 ILE 42 -1.180 -15.729 6.936 291 HG23 ILE 42 3HG2 ILE 42 -1.711 -15.530 5.267 292 HD11 ILE 42 3HD1 ILE 42 2.015 -14.201 3.366 293 HD12 ILE 42 1HD1 ILE 42 2.291 -14.375 5.099 294 HD13 ILE 42 2HD1 ILE 42 1.333 -15.577 4.234 295 H SER 43 H SER 43 -1.025 -11.172 4.588 296 HA SER 43 HA SER 43 -0.671 -8.997 6.340 297 HB2 SER 43 1HB SER 43 1.490 -10.517 6.593 298 HB3 SER 43 2HB SER 43 1.965 -9.682 5.114 299 HG SER 43 HG SER 43 1.295 -8.523 7.613 300 H TYR 44 H TYR 44 0.266 -7.065 5.170 301 HA TYR 44 HA TYR 44 -0.198 -7.272 2.270 302 HB2 TYR 44 1HB TYR 44 -1.138 -5.060 4.108 303 HB3 TYR 44 2HB TYR 44 -1.273 -5.041 2.353 304 HD1 TYR 44 2HD TYR 44 -2.196 -7.227 5.243 305 HD2 TYR 44 1HD TYR 44 -3.281 -5.694 1.425 306 HE1 TYR 44 2HE TYR 44 -4.363 -8.379 5.403 307 HE2 TYR 44 1HE TYR 44 -5.452 -6.841 1.575 308 HH TYR 44 HH TYR 44 -6.514 -8.386 4.507 309 H THR 45 H THR 45 0.895 -5.706 0.970 310 HA THR 45 HA THR 45 3.284 -4.583 2.284 311 HB THR 45 HB THR 45 2.958 -5.717 -0.493 312 HG1 THR 45 1HG THR 45 3.751 -7.377 0.550 313 HG21 THR 45 3HG2 THR 45 5.385 -4.305 0.613 314 HG22 THR 45 1HG2 THR 45 4.249 -3.583 -0.526 315 HG23 THR 45 2HG2 THR 45 5.196 -4.993 -0.999 316 H VAL 46 H VAL 46 3.238 -2.445 2.414 317 HA VAL 46 HA VAL 46 1.581 -0.904 0.574 318 HB VAL 46 HB VAL 46 3.073 -0.090 3.070 319 HG11 VAL 46 1HG1 VAL 46 2.989 1.745 1.434 320 HG12 VAL 46 2HG1 VAL 46 1.234 1.574 1.352 321 HG13 VAL 46 3HG1 VAL 46 2.003 2.077 2.858 322 HG21 VAL 46 3HG2 VAL 46 0.203 0.285 3.039 323 HG22 VAL 46 1HG2 VAL 46 0.646 -1.399 2.757 324 HG23 VAL 46 2HG2 VAL 46 1.215 -0.567 4.204 325 H VAL 47 H VAL 47 2.621 -0.645 -1.333 326 HA VAL 47 HA VAL 47 5.442 0.080 -1.374 327 HB VAL 47 HB VAL 47 3.644 -0.177 -3.776 328 HG11 VAL 47 1HG1 VAL 47 6.240 -1.133 -4.255 329 HG12 VAL 47 2HG1 VAL 47 5.510 0.356 -4.856 330 HG13 VAL 47 3HG1 VAL 47 6.426 0.368 -3.349 331 HG21 VAL 47 3HG2 VAL 47 4.712 -2.278 -1.996 332 HG22 VAL 47 1HG2 VAL 47 3.296 -2.290 -3.048 333 HG23 VAL 47 2HG2 VAL 47 4.903 -2.550 -3.728 334 H PHE 48 H PHE 48 6.003 2.139 -1.190 335 HA PHE 48 HA PHE 48 4.260 4.184 -2.400 336 HB2 PHE 48 1HB PHE 48 5.079 5.736 -0.627 337 HB3 PHE 48 2HB PHE 48 4.133 4.391 0.002 338 HD1 PHE 48 2HD PHE 48 5.559 2.292 0.716 339 HD2 PHE 48 1HD PHE 48 7.060 6.263 0.403 340 HE1 PHE 48 2HE PHE 48 7.399 1.713 2.243 341 HE2 PHE 48 1HE PHE 48 8.903 5.690 1.929 342 HZ PHE 48 HZ PHE 48 9.074 3.414 2.853 343 H ARG 49 H ARG 49 5.179 5.590 -3.778 344 HA ARG 49 HA ARG 49 8.049 6.010 -3.782 345 HB2 ARG 49 1HB ARG 49 8.101 4.146 -5.200 346 HB3 ARG 49 2HB ARG 49 6.587 4.582 -5.981 347 HG2 ARG 49 1HG ARG 49 7.753 6.536 -6.995 348 HG3 ARG 49 2HG ARG 49 9.263 5.909 -6.331 349 HD2 ARG 49 1HD ARG 49 8.940 5.266 -8.682 350 HD3 ARG 49 2HD ARG 49 9.012 3.867 -7.610 351 HE ARG 49 HE ARG 49 6.810 3.401 -8.102 352 HH11 ARG 49 1HH1 ARG 49 7.672 6.534 -9.352 353 HH12 ARG 49 2HH1 ARG 49 6.226 6.701 -10.292 354 HH21 ARG 49 1HH2 ARG 49 4.902 3.610 -9.335 355 HH22 ARG 49 2HH2 ARG 49 4.651 5.038 -10.281 356 H ASP 50 H ASP 50 8.621 7.976 -4.584 357 HA ASP 50 HA ASP 50 6.542 9.891 -5.000 358 HB2 ASP 50 1HB ASP 50 8.559 10.573 -3.857 359 HB3 ASP 50 2HB ASP 50 9.548 10.105 -5.237 360 H ILE 51 H ILE 51 5.458 10.074 -6.839 361 HA ILE 51 HA ILE 51 6.224 8.974 -9.296 362 HB ILE 51 HB ILE 51 4.418 10.307 -10.292 363 HG12 ILE 51 1HG1 ILE 51 4.010 11.531 -7.564 364 HG13 ILE 51 2HG1 ILE 51 4.915 12.340 -8.839 365 HG21 ILE 51 1HG2 ILE 51 2.573 9.456 -8.864 366 HG22 ILE 51 2HG2 ILE 51 3.813 8.251 -9.210 367 HG23 ILE 51 3HG2 ILE 51 3.768 9.043 -7.635 368 HD11 ILE 51 3HD1 ILE 51 2.055 11.444 -9.089 369 HD12 ILE 51 1HD1 ILE 51 2.565 13.076 -8.658 370 HD13 ILE 51 2HD1 ILE 51 2.973 12.414 -10.241 371 H ASN 52 H ASN 52 7.429 11.685 -7.740 372 HA ASN 52 HA ASN 52 8.216 12.996 -10.244 373 HB2 ASN 52 1HB ASN 52 8.503 13.990 -7.399 374 HB3 ASN 52 2HB ASN 52 8.833 14.912 -8.864 375 HD21 ASN 52 1HD2 ASN 52 6.310 13.322 -7.009 376 HD22 ASN 52 2HD2 ASN 52 5.005 14.277 -7.616 377 H SER 53 H SER 53 9.362 10.782 -8.032 378 HA SER 53 HA SER 53 12.126 11.264 -8.903 379 HB2 SER 53 1HB SER 53 11.091 11.027 -6.122 380 HB3 SER 53 2HB SER 53 12.626 10.235 -6.482 381 HG SER 53 HG SER 53 12.963 12.504 -7.550 382 H GLN 54 H GLN 54 13.520 9.289 -8.486 383 HA GLN 54 HA GLN 54 12.029 6.938 -9.375 384 HB2 GLN 54 1HB GLN 54 14.961 7.642 -9.421 385 HB3 GLN 54 2HB GLN 54 14.363 6.042 -9.838 386 HG2 GLN 54 1HG GLN 54 14.649 7.165 -11.874 387 HG3 GLN 54 2HG GLN 54 12.913 7.175 -11.567 388 HE21 GLN 54 1HE2 GLN 54 12.622 8.951 -12.922 389 HE22 GLN 54 2HE2 GLN 54 13.088 10.547 -12.451 390 H GLN 55 H GLN 55 12.443 8.051 -6.513 391 HA GLN 55 HA GLN 55 13.835 5.894 -5.193 392 HB2 GLN 55 1HB GLN 55 14.022 8.061 -4.194 393 HB3 GLN 55 2HB GLN 55 12.276 8.263 -4.164 394 HG2 GLN 55 1HG GLN 55 13.441 5.970 -2.685 395 HG3 GLN 55 2HG GLN 55 13.644 7.587 -2.015 396 HE21 GLN 55 1HE2 GLN 55 11.435 5.034 -2.717 397 HE22 GLN 55 2HE2 GLN 55 10.068 5.702 -1.898 398 H GLU 56 H GLU 56 12.896 3.964 -5.068 399 HA GLU 56 HA GLU 56 9.995 3.839 -4.586 400 HB2 GLU 56 1HB GLU 56 10.918 2.760 -6.676 401 HB3 GLU 56 2HB GLU 56 11.753 1.619 -5.631 402 HG2 GLU 56 1HG GLU 56 9.777 0.628 -4.919 403 HG3 GLU 56 2HG GLU 56 8.795 2.002 -5.422 404 H LEU 57 H LEU 57 9.206 2.799 -2.831 405 HA LEU 57 HA LEU 57 10.972 1.156 -1.198 406 HB2 LEU 57 1HB LEU 57 9.541 3.579 -0.116 407 HB3 LEU 57 2HB LEU 57 10.415 2.390 0.847 408 HG LEU 57 HG LEU 57 11.870 3.876 -1.293 409 HD11 LEU 57 1HD1 LEU 57 12.200 5.784 -0.016 410 HD12 LEU 57 2HD1 LEU 57 11.620 5.018 1.462 411 HD13 LEU 57 3HD1 LEU 57 10.479 5.460 0.192 412 HD21 LEU 57 3HD2 LEU 57 13.753 3.499 0.110 413 HD22 LEU 57 1HD2 LEU 57 12.861 1.980 0.019 414 HD23 LEU 57 2HD2 LEU 57 12.730 2.995 1.456 415 H GLN 58 H GLN 58 9.838 -0.101 0.403 416 HA GLN 58 HA GLN 58 6.926 -0.157 0.171 417 HB2 GLN 58 1HB GLN 58 8.687 -2.570 -0.292 418 HB3 GLN 58 2HB GLN 58 6.934 -2.607 -0.157 419 HG2 GLN 58 1HG GLN 58 6.612 -1.716 -2.224 420 HG3 GLN 58 2HG GLN 58 8.125 -0.813 -2.193 421 HE21 GLN 58 1HE2 GLN 58 8.014 -1.788 -4.452 422 HE22 GLN 58 2HE2 GLN 58 8.811 -3.307 -4.662 423 H ASN 59 H ASN 59 5.920 -1.572 1.821 424 HA ASN 59 HA ASN 59 7.615 -2.116 4.141 425 HB2 ASN 59 1HB ASN 59 5.255 -0.246 4.091 426 HB3 ASN 59 2HB ASN 59 5.754 -1.051 5.575 427 HD21 ASN 59 1HD2 ASN 59 8.374 -0.965 5.629 428 HD22 ASN 59 2HD2 ASN 59 8.973 0.654 5.556 429 H ILE 60 H ILE 60 6.199 -3.178 5.921 430 HA ILE 60 HA ILE 60 4.033 -4.787 4.806 431 HB ILE 60 HB ILE 60 6.425 -6.046 6.154 432 HG12 ILE 60 1HG1 ILE 60 5.504 -6.318 3.287 433 HG13 ILE 60 2HG1 ILE 60 6.818 -5.267 3.803 434 HG21 ILE 60 1HG2 ILE 60 5.335 -8.056 6.120 435 HG22 ILE 60 2HG2 ILE 60 3.970 -6.971 6.379 436 HG23 ILE 60 3HG2 ILE 60 4.303 -7.599 4.765 437 HD11 ILE 60 3HD1 ILE 60 6.752 -8.252 4.169 438 HD12 ILE 60 1HD1 ILE 60 7.599 -7.402 2.877 439 HD13 ILE 60 2HD1 ILE 60 8.091 -7.171 4.555 440 H THR 61 H THR 61 2.482 -5.288 6.262 441 HA THR 61 HA THR 61 3.016 -5.187 9.109 442 HB THR 61 HB THR 61 2.588 -2.854 8.762 443 HG1 THR 61 1HG THR 61 0.321 -2.831 9.795 444 HG21 THR 61 3HG2 THR 61 -0.121 -2.928 7.789 445 HG22 THR 61 1HG2 THR 61 0.961 -3.731 6.652 446 HG23 THR 61 2HG2 THR 61 1.274 -2.066 7.142 447 H THR 62 H THR 62 1.464 -6.236 10.349 448 HA THR 62 HA THR 62 -0.191 -8.099 8.902 449 HB THR 62 HB THR 62 -0.855 -8.777 11.317 450 HG1 THR 62 1HG THR 62 -0.136 -7.207 12.614 451 HG21 THR 62 3HG2 THR 62 1.917 -9.384 11.354 452 HG22 THR 62 1HG2 THR 62 1.395 -9.365 9.670 453 HG23 THR 62 2HG2 THR 62 0.580 -10.409 10.835 454 H ASP 63 H ASP 63 -0.713 -5.021 9.359 455 HA ASP 63 HA ASP 63 -3.543 -5.335 10.123 456 HB2 ASP 63 1HB ASP 63 -1.570 -3.140 10.602 457 HB3 ASP 63 2HB ASP 63 -3.273 -2.726 10.433 458 H THR 64 H THR 64 -5.059 -3.864 9.030 459 HA THR 64 HA THR 64 -4.570 -3.870 6.188 460 HB THR 64 HB THR 64 -6.947 -2.659 6.331 461 HG1 THR 64 1HG THR 64 -6.794 -2.590 8.679 462 HG21 THR 64 3HG2 THR 64 -7.728 -4.634 5.593 463 HG22 THR 64 1HG2 THR 64 -7.215 -5.487 7.048 464 HG23 THR 64 2HG2 THR 64 -6.059 -5.182 5.751 465 H ARG 65 H ARG 65 -3.244 -1.940 8.205 466 HA ARG 65 HA ARG 65 -3.537 0.417 6.498 467 HB2 ARG 65 1HB ARG 65 -3.682 1.923 8.405 468 HB3 ARG 65 2HB ARG 65 -5.021 0.783 8.428 469 HG2 ARG 65 1HG ARG 65 -4.162 -0.385 10.242 470 HG3 ARG 65 2HG ARG 65 -2.534 0.253 10.003 471 HD2 ARG 65 1HD ARG 65 -3.280 2.463 10.694 472 HD3 ARG 65 2HD ARG 65 -4.928 1.864 10.878 473 HE ARG 65 HE ARG 65 -2.982 0.454 12.463 474 HH11 ARG 65 1HH1 ARG 65 -5.150 3.175 12.321 475 HH12 ARG 65 2HH1 ARG 65 -5.286 3.322 14.042 476 HH21 ARG 65 1HH2 ARG 65 -3.154 0.638 14.730 477 HH22 ARG 65 2HH2 ARG 65 -4.150 1.879 15.411 478 H PHE 66 H PHE 66 -1.824 2.124 7.266 479 HA PHE 66 HA PHE 66 0.532 1.217 8.535 480 HB2 PHE 66 1HB PHE 66 0.626 -0.118 6.403 481 HB3 PHE 66 2HB PHE 66 0.749 1.404 5.527 482 HD1 PHE 66 1HD PHE 66 2.422 -0.704 8.067 483 HD2 PHE 66 2HD PHE 66 2.808 2.490 5.281 484 HE1 PHE 66 1HE PHE 66 4.862 -0.728 8.384 485 HE2 PHE 66 2HE PHE 66 5.248 2.472 5.593 486 HZ PHE 66 HZ PHE 66 6.279 0.861 7.145 487 H THR 67 H THR 67 2.392 2.772 8.130 488 HA THR 67 HA THR 67 1.466 5.425 7.292 489 HB THR 67 HB THR 67 2.876 4.915 9.918 490 HG1 THR 67 1HG THR 67 0.192 5.212 9.209 491 HG21 THR 67 3HG2 THR 67 2.629 7.253 8.288 492 HG22 THR 67 1HG2 THR 67 3.437 7.069 9.844 493 HG23 THR 67 2HG2 THR 67 1.726 7.490 9.784 494 H LEU 68 H LEU 68 2.813 5.888 5.672 495 HA LEU 68 HA LEU 68 5.403 4.851 5.351 496 HB2 LEU 68 1HB LEU 68 4.084 7.281 4.158 497 HB3 LEU 68 2HB LEU 68 5.659 6.673 3.652 498 HG LEU 68 HG LEU 68 4.409 5.680 2.053 499 HD11 LEU 68 1HD1 LEU 68 3.991 3.817 4.384 500 HD12 LEU 68 2HD1 LEU 68 5.345 3.821 3.255 501 HD13 LEU 68 3HD1 LEU 68 3.731 3.386 2.693 502 HD21 LEU 68 3HD2 LEU 68 2.333 6.806 3.027 503 HD22 LEU 68 1HD2 LEU 68 2.046 5.279 3.861 504 HD23 LEU 68 2HD2 LEU 68 2.094 5.325 2.098 505 H THR 69 H THR 69 7.334 6.420 5.009 506 HA THR 69 HA THR 69 7.486 8.642 6.830 507 HB THR 69 HB THR 69 9.249 7.753 8.258 508 HG1 THR 69 1HG THR 69 10.151 5.856 7.883 509 HG21 THR 69 3HG2 THR 69 6.908 5.850 8.271 510 HG22 THR 69 1HG2 THR 69 6.846 7.494 8.906 511 HG23 THR 69 2HG2 THR 69 7.924 6.305 9.639 512 H GLY 70 H GLY 70 9.724 9.588 6.861 513 HA2 GLY 70 1HA GLY 70 11.539 10.419 5.728 514 HA3 GLY 70 2HA GLY 70 11.722 8.809 5.050 515 H LEU 71 H LEU 71 9.106 11.184 4.681 516 HA LEU 71 HA LEU 71 9.601 11.119 1.777 517 HB2 LEU 71 1HB LEU 71 6.950 11.868 2.913 518 HB3 LEU 71 2HB LEU 71 7.339 11.156 1.349 519 HG LEU 71 HG LEU 71 7.661 9.577 3.877 520 HD11 LEU 71 1HD1 LEU 71 5.267 8.761 2.814 521 HD12 LEU 71 2HD1 LEU 71 5.174 10.518 2.688 522 HD13 LEU 71 3HD1 LEU 71 5.470 9.760 4.253 523 HD21 LEU 71 3HD2 LEU 71 7.572 9.060 0.957 524 HD22 LEU 71 1HD2 LEU 71 6.889 7.836 2.028 525 HD23 LEU 71 2HD2 LEU 71 8.574 8.326 2.210 526 H LYS 72 H LYS 72 8.900 13.088 0.606 527 HA LYS 72 HA LYS 72 9.755 15.455 2.084 528 HB2 LYS 72 1HB LYS 72 10.662 14.730 -0.223 529 HB3 LYS 72 2HB LYS 72 9.147 15.357 -0.860 530 HG2 LYS 72 1HG LYS 72 9.652 17.554 0.040 531 HG3 LYS 72 2HG LYS 72 11.147 16.936 0.746 532 HD2 LYS 72 1HD LYS 72 11.984 17.811 -1.188 533 HD3 LYS 72 2HD LYS 72 11.584 16.190 -1.759 534 HE2 LYS 72 1HE LYS 72 9.764 16.914 -2.954 535 HE3 LYS 72 2HE LYS 72 9.504 18.314 -1.916 536 HZ1 LYS 72 3HZ LYS 72 10.320 19.210 -3.878 537 HZ2 LYS 72 1HZ LYS 72 11.460 17.980 -4.100 538 HZ3 LYS 72 2HZ LYS 72 11.696 19.144 -2.896 539 HA PRO 73 HA PRO 73 5.654 17.018 2.511 540 HB2 PRO 73 1HB PRO 73 6.264 19.631 2.919 541 HB3 PRO 73 2HB PRO 73 6.513 18.384 4.146 542 HG2 PRO 73 1HG PRO 73 8.492 19.611 2.265 543 HG3 PRO 73 2HG PRO 73 8.672 19.233 3.988 544 HD2 PRO 73 1HD PRO 73 9.676 17.648 2.036 545 HD3 PRO 73 2HD PRO 73 9.092 17.003 3.583 546 H ASP 74 H ASP 74 4.089 18.012 1.295 547 HA ASP 74 HA ASP 74 3.076 18.859 -0.558 548 HB2 ASP 74 1HB ASP 74 4.112 20.948 0.157 549 HB3 ASP 74 2HB ASP 74 5.602 20.520 -0.679 550 H THR 75 H THR 75 4.282 16.444 -0.972 551 HA THR 75 HA THR 75 5.004 16.645 -3.798 552 HB THR 75 HB THR 75 6.659 15.240 -1.707 553 HG1 THR 75 1HG THR 75 7.763 17.011 -2.058 554 HG21 THR 75 3HG2 THR 75 7.797 14.774 -4.221 555 HG22 THR 75 1HG2 THR 75 6.089 14.374 -4.398 556 HG23 THR 75 2HG2 THR 75 7.054 13.586 -3.150 557 H THR 76 H THR 76 3.982 15.176 -5.008 558 HA THR 76 HA THR 76 2.063 13.436 -3.875 559 HB THR 76 HB THR 76 3.164 13.366 -6.690 560 HG1 THR 76 1HG THR 76 1.036 14.618 -6.925 561 HG21 THR 76 3HG2 THR 76 0.360 12.721 -6.312 562 HG22 THR 76 1HG2 THR 76 1.414 11.626 -5.419 563 HG23 THR 76 2HG2 THR 76 1.617 11.822 -7.160 564 H TYR 77 H TYR 77 2.201 11.386 -3.215 565 HA TYR 77 HA TYR 77 4.604 9.845 -3.944 566 HB2 TYR 77 1HB TYR 77 3.357 10.326 -1.279 567 HB3 TYR 77 2HB TYR 77 4.066 8.744 -1.584 568 HD1 TYR 77 1HD TYR 77 6.484 8.538 -2.046 569 HD2 TYR 77 2HD TYR 77 4.731 12.263 -0.975 570 HE1 TYR 77 1HE TYR 77 8.716 9.431 -1.523 571 HE2 TYR 77 2HE TYR 77 6.957 13.167 -0.449 572 HH TYR 77 HH TYR 77 9.397 12.614 -1.220 573 H ASP 78 H ASP 78 3.939 8.324 -5.313 574 HA ASP 78 HA ASP 78 1.308 7.284 -5.405 575 HB2 ASP 78 1HB ASP 78 2.651 7.275 -7.402 576 HB3 ASP 78 2HB ASP 78 3.892 6.297 -6.622 577 H ILE 79 H ILE 79 0.608 6.325 -3.560 578 HA ILE 79 HA ILE 79 2.219 4.110 -2.480 579 HB ILE 79 HB ILE 79 -0.062 5.525 -1.102 580 HG12 ILE 79 1HG1 ILE 79 2.783 5.918 -0.293 581 HG13 ILE 79 2HG1 ILE 79 2.188 6.811 -1.688 582 HG21 ILE 79 1HG2 ILE 79 0.486 4.323 0.805 583 HG22 ILE 79 2HG2 ILE 79 0.687 3.133 -0.479 584 HG23 ILE 79 3HG2 ILE 79 2.100 3.929 0.214 585 HD11 ILE 79 3HD1 ILE 79 0.534 6.882 0.760 586 HD12 ILE 79 1HD1 ILE 79 2.064 7.758 0.786 587 HD13 ILE 79 2HD1 ILE 79 0.851 8.137 -0.437 588 H LYS 80 H LYS 80 1.455 2.082 -2.520 589 HA LYS 80 HA LYS 80 -1.381 1.647 -3.140 590 HB2 LYS 80 1HB LYS 80 -0.481 -0.329 -4.594 591 HB3 LYS 80 2HB LYS 80 -0.547 1.294 -5.268 592 HG2 LYS 80 1HG LYS 80 1.929 1.337 -4.237 593 HG3 LYS 80 2HG LYS 80 1.776 -0.386 -4.590 594 HD2 LYS 80 1HD LYS 80 1.236 1.823 -6.573 595 HD3 LYS 80 2HD LYS 80 2.756 0.934 -6.456 596 HE2 LYS 80 1HE LYS 80 1.774 -0.353 -8.037 597 HE3 LYS 80 2HE LYS 80 1.056 -1.128 -6.626 598 HZ1 LYS 80 3HZ LYS 80 -0.862 -0.699 -7.664 599 HZ2 LYS 80 1HZ LYS 80 -0.186 0.475 -8.677 600 HZ3 LYS 80 2HZ LYS 80 -0.660 0.885 -7.106 601 H VAL 81 H VAL 81 -1.604 -0.987 -3.153 602 HA VAL 81 HA VAL 81 -0.095 -2.196 -0.997 603 HB VAL 81 HB VAL 81 -2.175 -0.807 -0.106 604 HG11 VAL 81 1HG1 VAL 81 -3.682 -2.133 -1.677 605 HG12 VAL 81 2HG1 VAL 81 -3.460 -3.484 -0.564 606 HG13 VAL 81 3HG1 VAL 81 -4.202 -1.987 0.002 607 HG21 VAL 81 3HG2 VAL 81 -1.902 -1.935 1.852 608 HG22 VAL 81 1HG2 VAL 81 -1.986 -3.519 1.080 609 HG23 VAL 81 2HG2 VAL 81 -0.504 -2.567 0.983 610 H ARG 82 H ARG 82 -0.777 -4.474 -0.621 611 HA ARG 82 HA ARG 82 -2.439 -5.748 -2.584 612 HB2 ARG 82 1HB ARG 82 -0.697 -7.104 -3.622 613 HB3 ARG 82 2HB ARG 82 -0.397 -5.394 -3.903 614 HG2 ARG 82 1HG ARG 82 1.337 -5.356 -2.263 615 HG3 ARG 82 2HG ARG 82 0.942 -6.993 -1.736 616 HD2 ARG 82 1HD ARG 82 1.659 -7.904 -3.838 617 HD3 ARG 82 2HD ARG 82 1.879 -6.290 -4.512 618 HE ARG 82 HE ARG 82 3.470 -6.852 -2.169 619 HH11 ARG 82 1HH1 ARG 82 3.294 -6.937 -5.645 620 HH12 ARG 82 2HH1 ARG 82 5.013 -6.943 -5.862 621 HH21 ARG 82 1HH2 ARG 82 5.735 -6.861 -2.442 622 HH22 ARG 82 2HH2 ARG 82 6.400 -6.901 -4.040 623 H ALA 83 H ALA 83 -3.246 -7.594 -1.783 624 HA ALA 83 HA ALA 83 -2.527 -8.401 0.867 625 HB1 ALA 83 3HB ALA 83 -4.503 -9.476 0.894 626 HB2 ALA 83 1HB ALA 83 -4.819 -8.531 -0.561 627 HB3 ALA 83 2HB ALA 83 -4.253 -10.196 -0.696 628 H TRP 84 H TRP 84 -1.731 -10.430 1.533 629 HA TRP 84 HA TRP 84 -0.320 -11.951 -0.559 630 HB2 TRP 84 1HB TRP 84 0.667 -11.071 2.151 631 HB3 TRP 84 2HB TRP 84 1.416 -12.400 1.270 632 HD1 TRP 84 HD TRP 84 0.559 -8.667 0.599 633 HE1 TRP 84 1HE TRP 84 2.463 -7.667 -0.815 634 HE3 TRP 84 3HE TRP 84 3.411 -12.866 -0.009 635 HZ2 TRP 84 2HZ TRP 84 4.857 -8.543 -2.029 636 HZ3 TRP 84 3HZ TRP 84 5.493 -12.700 -1.310 637 HH2 TRP 84 HH TRP 84 6.199 -10.582 -2.299 638 H THR 85 H THR 85 -0.115 -14.189 -0.238 639 HA THR 85 HA THR 85 -1.847 -15.303 1.872 640 HB THR 85 HB THR 85 -2.475 -17.113 0.335 641 HG1 THR 85 1HG THR 85 -0.647 -15.781 -1.317 642 HG21 THR 85 3HG2 THR 85 -3.521 -15.383 -1.473 643 HG22 THR 85 1HG2 THR 85 -3.109 -14.280 -0.160 644 HG23 THR 85 2HG2 THR 85 -4.182 -15.648 0.140 645 H SER 86 H SER 86 -1.398 -17.780 2.063 646 HA SER 86 HA SER 86 1.225 -18.082 3.030 647 HB2 SER 86 1HB SER 86 0.623 -20.334 3.549 648 HB3 SER 86 2HB SER 86 -0.835 -19.367 3.768 649 HG SER 86 HG SER 86 -1.491 -21.067 2.576 650 H LYS 87 H LYS 87 -0.075 -18.418 -0.109 651 HA LYS 87 HA LYS 87 1.995 -20.203 -1.069 652 HB2 LYS 87 1HB LYS 87 -0.285 -18.755 -2.406 653 HB3 LYS 87 2HB LYS 87 0.919 -19.651 -3.322 654 HG2 LYS 87 1HG LYS 87 -0.645 -21.275 -3.102 655 HG3 LYS 87 2HG LYS 87 0.256 -21.563 -1.612 656 HD2 LYS 87 1HD LYS 87 -1.368 -20.538 -0.289 657 HD3 LYS 87 2HD LYS 87 -2.075 -19.678 -1.659 658 HE2 LYS 87 1HE LYS 87 -3.163 -21.580 -2.446 659 HE3 LYS 87 2HE LYS 87 -2.111 -22.671 -1.545 660 HZ1 LYS 87 3HZ LYS 87 -3.426 -21.014 0.284 661 HZ2 LYS 87 1HZ LYS 87 -3.588 -22.686 0.083 662 HZ3 LYS 87 2HZ LYS 87 -4.591 -21.629 -0.776 663 H GLY 88 H GLY 88 1.021 -16.827 -1.684 664 HA2 GLY 88 1HA GLY 88 3.666 -15.848 -1.694 665 HA3 GLY 88 2HA GLY 88 3.161 -16.146 -3.351 666 H SER 89 H SER 89 2.916 -14.134 -4.142 667 HA SER 89 HA SER 89 1.153 -12.298 -2.658 668 HB2 SER 89 1HB SER 89 3.368 -11.355 -2.908 669 HB3 SER 89 2HB SER 89 3.362 -11.694 -4.638 670 HG SER 89 HG SER 89 2.139 -9.996 -4.978 671 H GLY 90 H GLY 90 0.068 -10.667 -4.226 672 HA2 GLY 90 1HA GLY 90 -0.874 -12.101 -6.627 673 HA3 GLY 90 2HA GLY 90 -2.013 -11.368 -5.507 674 HA PRO 91 HA PRO 91 -1.506 -8.165 -8.677 675 HB2 PRO 91 1HB PRO 91 -3.900 -6.989 -8.167 676 HB3 PRO 91 2HB PRO 91 -3.731 -8.422 -9.188 677 HG2 PRO 91 1HG PRO 91 -4.549 -8.230 -6.315 678 HG3 PRO 91 2HG PRO 91 -5.240 -9.224 -7.611 679 HD2 PRO 91 1HD PRO 91 -3.529 -10.222 -5.765 680 HD3 PRO 91 2HD PRO 91 -3.592 -10.825 -7.433 681 H LEU 92 H LEU 92 -1.802 -5.729 -8.501 682 HA LEU 92 HA LEU 92 -1.081 -4.830 -5.789 683 HB2 LEU 92 1HB LEU 92 0.118 -4.277 -8.438 684 HB3 LEU 92 2HB LEU 92 0.028 -2.928 -7.308 685 HG LEU 92 HG LEU 92 1.271 -5.538 -6.505 686 HD11 LEU 92 1HD1 LEU 92 3.292 -5.041 -7.441 687 HD12 LEU 92 2HD1 LEU 92 2.966 -3.309 -7.505 688 HD13 LEU 92 3HD1 LEU 92 2.218 -4.391 -8.680 689 HD21 LEU 92 3HD2 LEU 92 1.113 -4.290 -4.608 690 HD22 LEU 92 1HD2 LEU 92 1.148 -2.756 -5.478 691 HD23 LEU 92 2HD2 LEU 92 2.641 -3.660 -5.224 692 H SER 93 H SER 93 -2.549 -3.540 -4.921 693 HA SER 93 HA SER 93 -4.808 -2.558 -6.182 694 HB2 SER 93 1HB SER 93 -5.298 -1.451 -4.190 695 HB3 SER 93 2HB SER 93 -4.198 -2.717 -3.647 696 HG SER 93 HG SER 93 -3.450 -0.048 -4.263 697 HA PRO 94 HA PRO 94 -3.622 1.002 -8.458 698 HB2 PRO 94 1HB PRO 94 -5.808 2.583 -8.146 699 HB3 PRO 94 2HB PRO 94 -5.806 1.134 -9.160 700 HG2 PRO 94 1HG PRO 94 -6.819 1.490 -6.365 701 HG3 PRO 94 2HG PRO 94 -7.561 0.622 -7.722 702 HD2 PRO 94 1HD PRO 94 -6.214 -0.645 -5.744 703 HD3 PRO 94 2HD PRO 94 -6.240 -1.242 -7.416 704 H SER 95 H SER 95 -2.015 2.237 -7.690 705 HA SER 95 HA SER 95 -1.619 3.270 -5.211 706 HB2 SER 95 1HB SER 95 0.021 4.665 -6.130 707 HB3 SER 95 2HB SER 95 -0.124 3.385 -7.334 708 HG SER 95 HG SER 95 -1.413 4.753 -8.574 709 H ILE 96 H ILE 96 -1.709 5.547 -4.442 710 HA ILE 96 HA ILE 96 -4.249 6.807 -5.249 711 HB ILE 96 HB ILE 96 -4.228 7.769 -2.890 712 HG12 ILE 96 1HG1 ILE 96 -2.274 5.498 -2.465 713 HG13 ILE 96 2HG1 ILE 96 -1.866 7.209 -2.401 714 HG21 ILE 96 1HG2 ILE 96 -5.785 6.044 -3.581 715 HG22 ILE 96 2HG2 ILE 96 -4.577 4.799 -3.268 716 HG23 ILE 96 3HG2 ILE 96 -5.238 5.741 -1.932 717 HD11 ILE 96 3HD1 ILE 96 -3.813 7.202 -0.598 718 HD12 ILE 96 1HD1 ILE 96 -3.300 5.522 -0.443 719 HD13 ILE 96 2HD1 ILE 96 -2.139 6.826 -0.190 720 H GLN 97 H GLN 97 -0.881 7.277 -4.493 721 HA GLN 97 HA GLN 97 0.538 9.024 -4.817 722 HB2 GLN 97 1HB GLN 97 -1.679 9.589 -6.712 723 HB3 GLN 97 2HB GLN 97 -0.556 10.900 -6.378 724 HG2 GLN 97 1HG GLN 97 1.150 9.906 -7.469 725 HG3 GLN 97 2HG GLN 97 0.644 8.281 -7.007 726 HE21 GLN 97 1HE2 GLN 97 -0.034 7.074 -8.613 727 HE22 GLN 97 2HE2 GLN 97 -0.763 7.630 -10.077 728 H SER 98 H SER 98 -0.763 9.085 -2.447 729 HA SER 98 HA SER 98 -2.131 11.525 -1.935 730 HB2 SER 98 1HB SER 98 -2.000 9.263 -0.558 731 HB3 SER 98 2HB SER 98 -0.668 10.095 0.245 732 HG SER 98 HG SER 98 -2.577 11.851 0.129 733 H ARG 99 H ARG 99 -1.158 13.422 -2.253 734 HA ARG 99 HA ARG 99 1.659 13.803 -1.951 735 HB2 ARG 99 1HB ARG 99 0.445 15.095 -3.599 736 HB3 ARG 99 2HB ARG 99 -0.598 15.770 -2.354 737 HG2 ARG 99 1HG ARG 99 1.245 16.989 -1.401 738 HG3 ARG 99 2HG ARG 99 2.373 16.224 -2.522 739 HD2 ARG 99 1HD ARG 99 1.982 18.295 -3.498 740 HD3 ARG 99 2HD ARG 99 0.876 17.228 -4.364 741 HE ARG 99 HE ARG 99 0.176 19.359 -2.536 742 HH11 ARG 99 1HH1 ARG 99 -0.875 16.498 -4.219 743 HH12 ARG 99 2HH1 ARG 99 -2.558 16.899 -4.118 744 HH21 ARG 99 1HH2 ARG 99 -2.036 19.898 -2.396 745 HH22 ARG 99 2HH2 ARG 99 -3.217 18.833 -3.082 746 H THR 100 H THR 100 2.601 13.850 -0.023 747 HA THR 100 HA THR 100 1.540 14.060 2.454 748 HB THR 100 HB THR 100 3.749 15.167 3.154 749 HG1 THR 100 1HG THR 100 4.358 16.137 1.234 750 HG21 THR 100 3HG2 THR 100 5.036 13.039 2.286 751 HG22 THR 100 1HG2 THR 100 3.420 12.533 1.794 752 HG23 THR 100 2HG2 THR 100 3.755 12.892 3.488 753 H MET 101 H MET 101 1.338 15.746 4.027 754 HA MET 101 HA MET 101 0.010 18.043 3.056 755 HB2 MET 101 1HB MET 101 -0.520 18.472 5.239 756 HB3 MET 101 2HB MET 101 -0.082 16.775 5.386 757 HG2 MET 101 1HG MET 101 2.100 17.353 6.203 758 HG3 MET 101 2HG MET 101 1.795 19.064 5.914 759 HE1 MET 101 3HE MET 101 -1.416 17.178 7.490 760 HE2 MET 101 1HE MET 101 -0.051 16.078 7.301 761 HE3 MET 101 2HE MET 101 -0.584 16.551 8.913 762 HA PRO 102 HA PRO 102 3.402 20.758 2.300 763 HB2 PRO 102 1HB PRO 102 2.045 23.108 2.356 764 HB3 PRO 102 2HB PRO 102 1.939 21.970 1.008 765 HG2 PRO 102 1HG PRO 102 0.052 22.378 3.296 766 HG3 PRO 102 2HG PRO 102 -0.310 22.136 1.577 767 HD2 PRO 102 1HD PRO 102 -0.498 20.143 3.400 768 HD3 PRO 102 2HD PRO 102 -0.034 19.851 1.712 769 H VAL 103 H VAL 103 4.674 20.577 4.144 770 HA VAL 103 HA VAL 103 4.167 21.324 6.719 771 HB VAL 103 HB VAL 103 6.252 20.246 6.076 772 HG11 VAL 103 1HG1 VAL 103 7.562 21.000 4.448 773 HG12 VAL 103 2HG1 VAL 103 6.399 22.300 4.177 774 HG13 VAL 103 3HG1 VAL 103 7.765 22.550 5.265 775 HG21 VAL 103 3HG2 VAL 103 6.141 22.636 7.761 776 HG22 VAL 103 1HG2 VAL 103 6.769 21.026 8.113 777 HG23 VAL 103 2HG2 VAL 103 7.770 22.193 7.249
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