NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14335 | 1wjo | 10030 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -0.683 -4.825 -26.691 2 HA2 GLY 1 1HA GLY 1 -0.200 -6.659 -25.384 3 HA3 GLY 1 2HA GLY 1 -0.561 -7.674 -26.773 4 H SER 2 H SER 2 1.776 -7.013 -24.646 5 HA SER 2 HA SER 2 3.968 -7.286 -26.586 6 HB2 SER 2 1HB SER 2 4.151 -5.381 -25.026 7 HB3 SER 2 2HB SER 2 4.088 -6.499 -23.664 8 HG SER 2 HG SER 2 6.115 -6.964 -23.969 9 H SER 3 H SER 3 4.964 -9.175 -26.788 10 HA SER 3 HA SER 3 4.243 -11.365 -25.036 11 HB2 SER 3 1HB SER 3 5.444 -12.773 -26.629 12 HB3 SER 3 2HB SER 3 4.358 -11.683 -27.491 13 HG SER 3 HG SER 3 6.382 -10.292 -27.560 14 H GLY 4 H GLY 4 5.947 -12.855 -24.220 15 HA2 GLY 4 1HA GLY 4 7.900 -13.295 -23.076 16 HA3 GLY 4 2HA GLY 4 8.609 -11.882 -23.844 17 H SER 5 H SER 5 7.870 -13.169 -20.942 18 HA SER 5 HA SER 5 6.946 -10.757 -19.631 19 HB2 SER 5 1HB SER 5 7.717 -13.483 -18.571 20 HB3 SER 5 2HB SER 5 7.164 -12.156 -17.549 21 HG SER 5 HG SER 5 5.281 -12.156 -19.081 22 H SER 6 H SER 6 8.557 -9.240 -19.846 23 HA SER 6 HA SER 6 11.116 -9.880 -18.529 24 HB2 SER 6 1HB SER 6 11.063 -9.307 -21.073 25 HB3 SER 6 2HB SER 6 10.831 -7.648 -20.520 26 HG SER 6 HG SER 6 12.779 -7.788 -19.404 27 H GLY 7 H GLY 7 12.047 -8.303 -17.181 28 HA2 GLY 7 1HA GLY 7 12.108 -6.359 -15.898 29 HA3 GLY 7 2HA GLY 7 10.600 -5.849 -16.644 30 H ASN 8 H ASN 8 8.836 -7.766 -16.065 31 HA ASN 8 HA ASN 8 7.412 -8.491 -14.447 32 HB2 ASN 8 1HB ASN 8 9.825 -8.810 -12.663 33 HB3 ASN 8 2HB ASN 8 8.324 -9.731 -12.635 34 HD21 ASN 8 1HD2 ASN 8 10.744 -10.994 -12.699 35 HD22 ASN 8 2HD2 ASN 8 10.957 -11.770 -14.228 36 H ASP 9 H ASP 9 7.609 -5.763 -14.641 37 HA ASP 9 HA ASP 9 7.790 -4.744 -11.904 38 HB2 ASP 9 1HB ASP 9 7.551 -2.508 -12.980 39 HB3 ASP 9 2HB ASP 9 8.944 -3.416 -13.561 40 H ASP 10 H ASP 10 5.511 -4.850 -14.626 41 HA ASP 10 HA ASP 10 3.357 -3.634 -13.273 42 HB2 ASP 10 1HB ASP 10 3.109 -5.654 -15.503 43 HB3 ASP 10 2HB ASP 10 1.993 -4.353 -15.097 44 H ILE 11 H ILE 11 4.233 -7.038 -13.742 45 HA ILE 11 HA ILE 11 2.130 -8.404 -12.767 46 HB ILE 11 HB ILE 11 5.004 -8.887 -11.973 47 HG12 ILE 11 1HG1 ILE 11 3.388 -10.169 -14.182 48 HG13 ILE 11 2HG1 ILE 11 4.477 -8.810 -14.437 49 HG21 ILE 11 1HG2 ILE 11 2.639 -10.757 -11.908 50 HG22 ILE 11 2HG2 ILE 11 4.311 -11.196 -11.563 51 HG23 ILE 11 3HG2 ILE 11 3.459 -10.072 -10.506 52 HD11 ILE 11 1HD1 ILE 11 5.774 -10.975 -13.029 53 HD12 ILE 11 2HD1 ILE 11 5.118 -11.487 -14.584 54 HD13 ILE 11 3HD1 ILE 11 6.249 -10.137 -14.506 55 H ILE 12 H ILE 12 4.687 -7.093 -10.648 56 HA ILE 12 HA ILE 12 3.569 -7.718 -8.206 57 HB ILE 12 HB ILE 12 5.144 -5.234 -8.894 58 HG12 ILE 12 1HG1 ILE 12 6.136 -7.824 -7.699 59 HG13 ILE 12 2HG1 ILE 12 6.186 -7.484 -9.425 60 HG21 ILE 12 1HG2 ILE 12 5.499 -4.864 -6.635 61 HG22 ILE 12 2HG2 ILE 12 3.806 -5.351 -6.683 62 HG23 ILE 12 3HG2 ILE 12 5.043 -6.508 -6.190 63 HD11 ILE 12 1HD1 ILE 12 8.305 -6.914 -8.732 64 HD12 ILE 12 2HD1 ILE 12 7.475 -5.358 -8.712 65 HD13 ILE 12 3HD1 ILE 12 7.738 -6.236 -7.206 66 H VAL 13 H VAL 13 3.222 -4.617 -9.939 67 HA VAL 13 HA VAL 13 1.486 -3.337 -8.237 68 HB VAL 13 HB VAL 13 1.446 -3.234 -11.257 69 HG11 VAL 13 1HG1 VAL 13 -0.472 -2.237 -9.638 70 HG12 VAL 13 2HG1 VAL 13 0.655 -0.879 -9.678 71 HG13 VAL 13 3HG1 VAL 13 -0.011 -1.518 -11.181 72 HG21 VAL 13 1HG2 VAL 13 2.650 -0.945 -10.221 73 HG22 VAL 13 2HG2 VAL 13 3.327 -2.277 -9.285 74 HG23 VAL 13 3HG2 VAL 13 3.449 -2.284 -11.044 75 H ASN 14 H ASN 14 0.553 -5.334 -11.044 76 HA ASN 14 HA ASN 14 -2.167 -5.241 -10.837 77 HB2 ASN 14 1HB ASN 14 -0.286 -7.406 -11.706 78 HB3 ASN 14 2HB ASN 14 -2.013 -7.742 -11.627 79 HD21 ASN 14 1HD2 ASN 14 0.174 -7.208 -13.781 80 HD22 ASN 14 2HD2 ASN 14 -0.652 -6.186 -14.903 81 H TRP 15 H TRP 15 0.013 -7.402 -9.056 82 HA TRP 15 HA TRP 15 -1.952 -8.855 -7.686 83 HB2 TRP 15 1HB TRP 15 0.472 -9.457 -7.824 84 HB3 TRP 15 2HB TRP 15 0.815 -8.164 -6.677 85 HD1 TRP 15 HD TRP 15 -0.903 -11.599 -6.874 86 HE1 TRP 15 1HE TRP 15 -1.077 -12.556 -4.491 87 HE3 TRP 15 3HE TRP 15 0.763 -7.542 -4.246 88 HZ2 TRP 15 2HZ TRP 15 -0.575 -11.704 -1.848 89 HZ3 TRP 15 3HZ TRP 15 0.885 -7.695 -1.793 90 HH2 TRP 15 HH TRP 15 0.230 -9.734 -0.621 91 H VAL 16 H VAL 16 -0.013 -6.092 -6.522 92 HA VAL 16 HA VAL 16 -0.948 -5.656 -4.053 93 HB VAL 16 HB VAL 16 -0.673 -3.514 -6.166 94 HG11 VAL 16 1HG1 VAL 16 -0.033 -2.376 -3.753 95 HG12 VAL 16 2HG1 VAL 16 -1.562 -2.174 -4.611 96 HG13 VAL 16 3HG1 VAL 16 -1.413 -3.395 -3.346 97 HG21 VAL 16 1HG2 VAL 16 1.429 -3.718 -4.183 98 HG22 VAL 16 2HG2 VAL 16 1.246 -5.211 -5.104 99 HG23 VAL 16 3HG2 VAL 16 1.539 -3.687 -5.943 100 H ASN 17 H ASN 17 -2.679 -4.645 -6.994 101 HA ASN 17 HA ASN 17 -4.914 -3.559 -5.662 102 HB2 ASN 17 1HB ASN 17 -4.362 -4.472 -8.459 103 HB3 ASN 17 2HB ASN 17 -6.019 -4.105 -7.988 104 HD21 ASN 17 1HD2 ASN 17 -2.750 -2.759 -7.937 105 HD22 ASN 17 2HD2 ASN 17 -3.234 -1.118 -8.172 106 H ARG 18 H ARG 18 -4.342 -6.759 -7.091 107 HA ARG 18 HA ARG 18 -6.858 -7.862 -6.641 108 HB2 ARG 18 1HB ARG 18 -5.052 -8.900 -8.003 109 HB3 ARG 18 2HB ARG 18 -4.204 -9.304 -6.517 110 HG2 ARG 18 1HG ARG 18 -5.843 -10.858 -5.876 111 HG3 ARG 18 2HG ARG 18 -6.999 -10.247 -7.061 112 HD2 ARG 18 1HD ARG 18 -6.280 -12.105 -8.168 113 HD3 ARG 18 2HD ARG 18 -5.086 -10.945 -8.747 114 HE ARG 18 HE ARG 18 -3.483 -12.168 -7.691 115 HH11 ARG 18 2HH1 ARG 18 -6.559 -12.878 -6.223 116 HH12 ARG 18 1HH1 ARG 18 -5.924 -14.106 -5.178 117 HH21 ARG 18 2HH2 ARG 18 -2.635 -13.783 -6.321 118 HH22 ARG 18 1HH2 ARG 18 -3.692 -14.620 -5.234 119 H THR 19 H THR 19 -4.009 -7.786 -4.530 120 HA THR 19 HA THR 19 -5.087 -9.321 -2.436 121 HB THR 19 HB THR 19 -2.958 -7.176 -2.374 122 HG1 THR 19 1HG THR 19 -2.436 -9.049 -3.591 123 HG21 THR 19 1HG2 THR 19 -4.016 -8.992 -0.241 124 HG22 THR 19 2HG2 THR 19 -3.584 -7.285 -0.142 125 HG23 THR 19 3HG2 THR 19 -2.320 -8.512 -0.233 126 H LEU 20 H LEU 20 -4.927 -5.792 -2.874 127 HA LEU 20 HA LEU 20 -6.137 -5.015 -0.506 128 HB2 LEU 20 1HB LEU 20 -6.216 -3.777 -3.247 129 HB3 LEU 20 2HB LEU 20 -6.892 -2.995 -1.820 130 HG LEU 20 HG LEU 20 -4.021 -3.839 -1.848 131 HD11 LEU 20 1HD1 LEU 20 -3.421 -2.350 -3.374 132 HD12 LEU 20 2HD1 LEU 20 -4.301 -1.076 -2.531 133 HD13 LEU 20 3HD1 LEU 20 -5.124 -2.069 -3.734 134 HD21 LEU 20 1HD2 LEU 20 -5.508 -1.580 -0.512 135 HD22 LEU 20 2HD2 LEU 20 -3.802 -1.974 -0.297 136 HD23 LEU 20 3HD2 LEU 20 -5.044 -3.102 0.250 137 H SER 21 H SER 21 -7.603 -6.069 -3.534 138 HA SER 21 HA SER 21 -10.282 -5.479 -2.745 139 HB2 SER 21 1HB SER 21 -9.687 -5.616 -5.108 140 HB3 SER 21 2HB SER 21 -9.224 -7.307 -4.916 141 HG SER 21 HG SER 21 -11.816 -6.186 -4.649 142 H GLU 22 H GLU 22 -8.261 -8.377 -2.713 143 HA GLU 22 HA GLU 22 -10.032 -10.354 -2.117 144 HB2 GLU 22 1HB GLU 22 -7.224 -9.822 -1.284 145 HB3 GLU 22 2HB GLU 22 -8.087 -11.111 -0.457 146 HG2 GLU 22 1HG GLU 22 -8.662 -11.896 -2.873 147 HG3 GLU 22 2HG GLU 22 -7.269 -10.911 -3.314 148 H ALA 23 H ALA 23 -9.061 -7.715 -0.064 149 HA ALA 23 HA ALA 23 -10.627 -8.836 2.159 150 HB1 ALA 23 1HB ALA 23 -8.870 -8.216 3.372 151 HB2 ALA 23 2HB ALA 23 -8.176 -7.308 2.028 152 HB3 ALA 23 3HB ALA 23 -9.362 -6.546 3.088 153 H GLY 24 H GLY 24 -10.302 -6.062 0.025 154 HA2 GLY 24 1HA GLY 24 -12.278 -4.868 -0.667 155 HA3 GLY 24 2HA GLY 24 -12.963 -5.170 0.923 156 H LYS 25 H LYS 25 -10.021 -3.666 -0.424 157 HA LYS 25 HA LYS 25 -10.246 -1.568 1.613 158 HB2 LYS 25 1HB LYS 25 -7.934 -2.047 -0.266 159 HB3 LYS 25 2HB LYS 25 -7.942 -1.075 1.199 160 HG2 LYS 25 1HG LYS 25 -8.570 -3.978 1.397 161 HG3 LYS 25 2HG LYS 25 -6.893 -3.472 1.176 162 HD2 LYS 25 1HD LYS 25 -6.845 -2.325 3.203 163 HD3 LYS 25 2HD LYS 25 -8.604 -2.221 3.295 164 HE2 LYS 25 1HE LYS 25 -7.594 -3.847 4.889 165 HE3 LYS 25 2HE LYS 25 -8.780 -4.555 3.794 166 HZ1 LYS 25 1HZ LYS 25 -5.944 -5.062 4.018 167 HZ2 LYS 25 2HZ LYS 25 -6.501 -4.905 2.429 168 HZ3 LYS 25 3HZ LYS 25 -7.182 -6.066 3.453 169 H SER 26 H SER 26 -9.986 0.656 1.021 170 HA SER 26 HA SER 26 -11.116 1.225 -1.623 171 HB2 SER 26 1HB SER 26 -12.313 2.090 0.376 172 HB3 SER 26 2HB SER 26 -10.889 3.047 0.785 173 HG SER 26 HG SER 26 -11.960 3.308 -1.782 174 H THR 27 H THR 27 -8.215 0.688 -0.884 175 HA THR 27 HA THR 27 -7.110 3.122 -2.126 176 HB THR 27 HB THR 27 -4.979 2.647 -0.902 177 HG1 THR 27 1HG THR 27 -6.606 0.620 0.162 178 HG21 THR 27 1HG2 THR 27 -6.937 4.208 -0.138 179 HG22 THR 27 2HG2 THR 27 -5.596 3.871 0.958 180 HG23 THR 27 3HG2 THR 27 -7.126 3.013 1.145 181 H SER 28 H SER 28 -5.486 2.846 -3.657 182 HA SER 28 HA SER 28 -4.386 0.279 -4.272 183 HB2 SER 28 1HB SER 28 -5.387 0.194 -6.595 184 HB3 SER 28 2HB SER 28 -6.509 -0.165 -5.284 185 HG SER 28 HG SER 28 -6.397 2.037 -6.987 186 H ILE 29 H ILE 29 -2.778 0.369 -5.912 187 HA ILE 29 HA ILE 29 -1.945 3.117 -6.577 188 HB ILE 29 HB ILE 29 0.373 2.217 -6.694 189 HG12 ILE 29 1HG1 ILE 29 -0.510 -0.176 -5.140 190 HG13 ILE 29 2HG1 ILE 29 -0.662 -0.216 -6.893 191 HG21 ILE 29 1HG2 ILE 29 -1.198 2.806 -4.413 192 HG22 ILE 29 2HG2 ILE 29 -0.074 1.520 -3.974 193 HG23 ILE 29 3HG2 ILE 29 0.536 3.035 -4.639 194 HD11 ILE 29 1HD1 ILE 29 1.793 -0.077 -5.209 195 HD12 ILE 29 2HD1 ILE 29 1.408 -1.153 -6.553 196 HD13 ILE 29 3HD1 ILE 29 1.819 0.533 -6.863 197 H GLN 30 H GLN 30 -0.185 2.910 -8.471 198 HA GLN 30 HA GLN 30 -1.335 1.205 -10.574 199 HB2 GLN 30 1HB GLN 30 -0.557 4.115 -10.813 200 HB3 GLN 30 2HB GLN 30 -0.958 3.081 -12.177 201 HG2 GLN 30 1HG GLN 30 -3.203 2.801 -11.375 202 HG3 GLN 30 2HG GLN 30 -2.824 3.679 -9.895 203 HE21 GLN 30 1HE2 GLN 30 -3.929 5.506 -9.976 204 HE22 GLN 30 2HE2 GLN 30 -3.966 6.607 -11.307 205 H SER 31 H SER 31 1.452 2.926 -9.316 206 HA SER 31 HA SER 31 3.232 0.965 -10.430 207 HB2 SER 31 1HB SER 31 2.741 2.836 -12.223 208 HB3 SER 31 2HB SER 31 3.888 3.765 -11.259 209 HG SER 31 HG SER 31 5.232 2.740 -12.559 210 H PHE 32 H PHE 32 5.566 1.543 -9.876 211 HA PHE 32 HA PHE 32 5.680 2.174 -7.100 212 HB2 PHE 32 1HB PHE 32 8.066 1.976 -8.929 213 HB3 PHE 32 2HB PHE 32 7.973 1.599 -7.212 214 HD1 PHE 32 1HD PHE 32 5.806 -0.175 -6.880 215 HD2 PHE 32 2HD PHE 32 8.506 0.098 -10.160 216 HE1 PHE 32 1HE PHE 32 5.382 -2.537 -7.421 217 HE2 PHE 32 2HE PHE 32 8.085 -2.264 -10.706 218 HZ PHE 32 HZ PHE 32 6.521 -3.584 -9.337 219 H LYS 33 H LYS 33 5.753 4.060 -9.903 220 HA LYS 33 HA LYS 33 7.278 6.221 -8.658 221 HB2 LYS 33 1HB LYS 33 6.183 5.816 -11.439 222 HB3 LYS 33 2HB LYS 33 6.880 7.342 -10.910 223 HG2 LYS 33 1HG LYS 33 8.975 6.090 -10.355 224 HG3 LYS 33 2HG LYS 33 8.258 4.678 -11.133 225 HD2 LYS 33 1HD LYS 33 9.578 5.677 -12.798 226 HD3 LYS 33 2HD LYS 33 7.928 6.181 -13.170 227 HE2 LYS 33 1HE LYS 33 9.303 8.103 -13.394 228 HE3 LYS 33 2HE LYS 33 8.397 8.294 -11.894 229 HZ1 LYS 33 1HZ LYS 33 11.125 8.445 -12.204 230 HZ2 LYS 33 2HZ LYS 33 10.864 6.961 -11.436 231 HZ3 LYS 33 3HZ LYS 33 10.275 8.387 -10.743 232 H ASP 34 H ASP 34 4.096 5.168 -8.940 233 HA ASP 34 HA ASP 34 2.543 7.390 -9.312 234 HB2 ASP 34 1HB ASP 34 1.792 5.005 -8.827 235 HB3 ASP 34 2HB ASP 34 1.990 5.393 -7.120 236 H LYS 35 H LYS 35 1.671 9.004 -7.985 237 HA LYS 35 HA LYS 35 3.439 9.813 -5.811 238 HB2 LYS 35 1HB LYS 35 1.177 11.309 -7.148 239 HB3 LYS 35 2HB LYS 35 2.289 11.979 -5.962 240 HG2 LYS 35 1HG LYS 35 3.308 10.795 -8.513 241 HG3 LYS 35 2HG LYS 35 2.694 12.449 -8.459 242 HD2 LYS 35 1HD LYS 35 4.831 11.411 -6.605 243 HD3 LYS 35 2HD LYS 35 5.182 12.203 -8.144 244 HE2 LYS 35 1HE LYS 35 3.681 14.102 -7.241 245 HE3 LYS 35 2HE LYS 35 3.937 13.346 -5.669 246 HZ1 LYS 35 1HZ LYS 35 5.629 15.096 -7.017 247 HZ2 LYS 35 2HZ LYS 35 6.408 13.596 -6.986 248 HZ3 LYS 35 3HZ LYS 35 5.906 14.317 -5.541 249 H THR 36 H THR 36 1.407 7.631 -5.582 250 HA THR 36 HA THR 36 -0.323 8.779 -3.499 251 HB THR 36 HB THR 36 -1.613 6.643 -3.688 252 HG1 THR 36 1HG THR 36 -1.127 5.542 -5.807 253 HG21 THR 36 1HG2 THR 36 -1.881 8.873 -5.125 254 HG22 THR 36 2HG2 THR 36 -2.918 7.466 -5.368 255 HG23 THR 36 3HG2 THR 36 -1.547 7.749 -6.442 256 H ILE 37 H ILE 37 2.278 6.577 -4.081 257 HA ILE 37 HA ILE 37 2.064 5.007 -1.740 258 HB ILE 37 HB ILE 37 4.561 5.695 -3.294 259 HG12 ILE 37 1HG1 ILE 37 2.930 3.181 -3.570 260 HG13 ILE 37 2HG1 ILE 37 2.563 4.613 -4.525 261 HG21 ILE 37 1HG2 ILE 37 5.649 4.519 -1.760 262 HG22 ILE 37 2HG2 ILE 37 4.145 4.199 -0.898 263 HG23 ILE 37 3HG2 ILE 37 4.675 3.110 -2.179 264 HD11 ILE 37 1HD1 ILE 37 3.917 3.413 -5.939 265 HD12 ILE 37 2HD1 ILE 37 5.073 4.501 -5.169 266 HD13 ILE 37 3HD1 ILE 37 4.945 2.827 -4.631 267 H SER 38 H SER 38 3.088 8.235 -2.272 268 HA SER 38 HA SER 38 4.883 8.530 -0.108 269 HB2 SER 38 1HB SER 38 4.509 10.946 -0.387 270 HB3 SER 38 2HB SER 38 4.754 10.158 -1.945 271 HG SER 38 HG SER 38 2.274 10.926 -0.798 272 H SER 39 H SER 39 1.499 8.163 -0.236 273 HA SER 39 HA SER 39 1.051 9.439 2.346 274 HB2 SER 39 1HB SER 39 -1.328 8.878 1.954 275 HB3 SER 39 2HB SER 39 -0.635 9.786 0.610 276 HG SER 39 HG SER 39 -0.505 7.009 0.470 277 H SER 40 H SER 40 2.005 6.453 1.189 278 HA SER 40 HA SER 40 2.080 4.337 2.044 279 HB2 SER 40 1HB SER 40 2.004 5.770 4.707 280 HB3 SER 40 2HB SER 40 2.713 4.191 4.367 281 HG SER 40 HG SER 40 3.854 6.587 4.185 282 H LEU 41 H LEU 41 -0.574 5.435 1.540 283 HA LEU 41 HA LEU 41 -2.235 4.338 3.661 284 HB2 LEU 41 1HB LEU 41 -2.913 5.703 1.062 285 HB3 LEU 41 2HB LEU 41 -4.111 5.116 2.214 286 HG LEU 41 HG LEU 41 -2.051 7.227 2.842 287 HD11 LEU 41 1HD1 LEU 41 -4.363 8.564 2.841 288 HD12 LEU 41 2HD1 LEU 41 -4.719 7.384 1.580 289 HD13 LEU 41 3HD1 LEU 41 -3.321 8.447 1.423 290 HD21 LEU 41 1HD2 LEU 41 -3.303 7.604 4.829 291 HD22 LEU 41 2HD2 LEU 41 -2.995 5.870 4.731 292 HD23 LEU 41 3HD2 LEU 41 -4.583 6.509 4.306 293 H ALA 42 H ALA 42 -1.306 3.633 0.343 294 HA ALA 42 HA ALA 42 -3.104 1.398 0.098 295 HB1 ALA 42 1HB ALA 42 -2.593 2.548 -1.910 296 HB2 ALA 42 2HB ALA 42 -0.857 2.413 -1.627 297 HB3 ALA 42 3HB ALA 42 -1.801 0.975 -2.016 298 H VAL 43 H VAL 43 0.126 1.919 1.221 299 HA VAL 43 HA VAL 43 1.051 -0.765 0.934 300 HB VAL 43 HB VAL 43 2.038 1.468 2.713 301 HG11 VAL 43 1HG1 VAL 43 2.651 -0.762 3.571 302 HG12 VAL 43 2HG1 VAL 43 3.400 -1.132 2.016 303 HG13 VAL 43 3HG1 VAL 43 4.050 0.161 3.024 304 HG21 VAL 43 1HG2 VAL 43 3.936 1.046 0.808 305 HG22 VAL 43 2HG2 VAL 43 2.453 0.746 -0.099 306 HG23 VAL 43 3HG2 VAL 43 2.686 2.288 0.725 307 H VAL 44 H VAL 44 -0.343 1.098 3.609 308 HA VAL 44 HA VAL 44 -0.126 -0.968 5.541 309 HB VAL 44 HB VAL 44 -2.085 1.331 5.519 310 HG11 VAL 44 1HG1 VAL 44 -0.986 0.292 8.044 311 HG12 VAL 44 2HG1 VAL 44 -2.624 0.814 7.645 312 HG13 VAL 44 3HG1 VAL 44 -2.074 -0.798 7.185 313 HG21 VAL 44 1HG2 VAL 44 0.612 1.276 6.850 314 HG22 VAL 44 2HG2 VAL 44 0.353 1.952 5.242 315 HG23 VAL 44 3HG2 VAL 44 -0.471 2.651 6.637 316 H ASP 45 H ASP 45 -2.855 0.178 3.565 317 HA ASP 45 HA ASP 45 -4.782 -1.605 4.493 318 HB2 ASP 45 1HB ASP 45 -4.414 -0.012 2.004 319 HB3 ASP 45 2HB ASP 45 -5.625 -1.290 1.980 320 H LEU 46 H LEU 46 -2.058 -2.146 2.466 321 HA LEU 46 HA LEU 46 -3.041 -4.541 1.228 322 HB2 LEU 46 1HB LEU 46 -1.308 -3.088 0.219 323 HB3 LEU 46 2HB LEU 46 -0.204 -3.561 1.509 324 HG LEU 46 HG LEU 46 -0.661 -5.977 0.626 325 HD11 LEU 46 1HD1 LEU 46 -1.817 -4.243 -1.466 326 HD12 LEU 46 2HD1 LEU 46 -2.204 -5.905 -1.022 327 HD13 LEU 46 3HD1 LEU 46 -0.788 -5.566 -2.016 328 HD21 LEU 46 1HD2 LEU 46 1.010 -4.780 -1.380 329 HD22 LEU 46 2HD2 LEU 46 1.460 -5.788 -0.004 330 HD23 LEU 46 3HD2 LEU 46 1.317 -4.040 0.191 331 H ILE 47 H ILE 47 -0.490 -3.935 3.650 332 HA ILE 47 HA ILE 47 0.200 -6.465 4.341 333 HB ILE 47 HB ILE 47 -0.250 -4.172 6.253 334 HG12 ILE 47 1HG1 ILE 47 2.434 -5.059 5.293 335 HG13 ILE 47 2HG1 ILE 47 1.429 -4.116 4.198 336 HG21 ILE 47 1HG2 ILE 47 0.858 -6.898 6.621 337 HG22 ILE 47 2HG2 ILE 47 1.667 -5.566 7.445 338 HG23 ILE 47 3HG2 ILE 47 -0.042 -5.879 7.744 339 HD11 ILE 47 1HD1 ILE 47 1.989 -3.189 6.987 340 HD12 ILE 47 2HD1 ILE 47 3.106 -2.872 5.659 341 HD13 ILE 47 3HD1 ILE 47 1.457 -2.252 5.592 342 H ASP 48 H ASP 48 -2.535 -4.663 5.740 343 HA ASP 48 HA ASP 48 -3.510 -6.468 7.531 344 HB2 ASP 48 1HB ASP 48 -4.722 -4.502 7.492 345 HB3 ASP 48 2HB ASP 48 -4.837 -4.484 5.734 346 H ALA 49 H ALA 49 -4.597 -6.311 4.134 347 HA ALA 49 HA ALA 49 -6.241 -8.408 3.914 348 HB1 ALA 49 1HB ALA 49 -4.178 -8.479 1.825 349 HB2 ALA 49 2HB ALA 49 -5.924 -8.268 1.694 350 HB3 ALA 49 3HB ALA 49 -4.899 -6.895 2.111 351 H ILE 50 H ILE 50 -2.702 -8.688 3.995 352 HA ILE 50 HA ILE 50 -2.725 -11.544 3.822 353 HB ILE 50 HB ILE 50 -0.460 -9.818 4.816 354 HG12 ILE 50 1HG1 ILE 50 -0.660 -10.715 1.973 355 HG13 ILE 50 2HG1 ILE 50 -1.592 -9.308 2.474 356 HG21 ILE 50 1HG2 ILE 50 0.707 -11.703 4.908 357 HG22 ILE 50 2HG2 ILE 50 -0.768 -12.597 4.544 358 HG23 ILE 50 3HG2 ILE 50 0.297 -12.082 3.235 359 HD11 ILE 50 1HD1 ILE 50 1.388 -9.627 2.740 360 HD12 ILE 50 2HD1 ILE 50 0.548 -8.669 1.519 361 HD13 ILE 50 3HD1 ILE 50 0.449 -8.213 3.219 362 H GLN 51 H GLN 51 -1.649 -9.385 6.456 363 HA GLN 51 HA GLN 51 -2.525 -11.453 8.364 364 HB2 GLN 51 1HB GLN 51 -0.122 -11.265 8.414 365 HB3 GLN 51 2HB GLN 51 -0.216 -9.514 8.552 366 HG2 GLN 51 1HG GLN 51 0.208 -10.088 10.717 367 HG3 GLN 51 2HG GLN 51 -1.554 -10.061 10.731 368 HE21 GLN 51 1HE2 GLN 51 0.865 -11.663 11.987 369 HE22 GLN 51 2HE2 GLN 51 0.241 -13.274 12.016 370 HA PRO 52 HA PRO 52 -5.158 -7.755 9.142 371 HB2 PRO 52 1HB PRO 52 -7.374 -9.200 9.754 372 HB3 PRO 52 2HB PRO 52 -6.929 -8.779 8.096 373 HG2 PRO 52 1HG PRO 52 -6.495 -11.341 9.581 374 HG3 PRO 52 2HG PRO 52 -7.038 -11.094 7.911 375 HD2 PRO 52 1HD PRO 52 -4.485 -11.752 8.531 376 HD3 PRO 52 2HD PRO 52 -4.897 -10.734 7.135 377 H GLY 53 H GLY 53 -6.379 -7.178 11.122 378 HA2 GLY 53 1HA GLY 53 -6.798 -7.281 13.413 379 HA3 GLY 53 2HA GLY 53 -5.922 -8.804 13.479 380 H CYS 54 H CYS 54 -3.638 -7.491 12.007 381 HA CYS 54 HA CYS 54 -2.345 -6.437 14.391 382 HB2 CYS 54 1HB CYS 54 -0.322 -6.969 13.402 383 HB3 CYS 54 2HB CYS 54 -1.379 -8.182 12.690 384 HG CYS 54 HG CYS 54 -1.506 -7.128 10.218 385 H ILE 55 H ILE 55 -3.363 -5.394 11.204 386 HA ILE 55 HA ILE 55 -2.041 -2.851 11.343 387 HB ILE 55 HB ILE 55 -4.200 -3.880 9.503 388 HG12 ILE 55 1HG1 ILE 55 -1.890 -4.887 9.368 389 HG13 ILE 55 2HG1 ILE 55 -2.455 -4.125 7.885 390 HG21 ILE 55 1HG2 ILE 55 -4.451 -1.502 9.636 391 HG22 ILE 55 2HG2 ILE 55 -2.714 -1.261 9.460 392 HG23 ILE 55 3HG2 ILE 55 -3.657 -1.889 8.110 393 HD11 ILE 55 1HD1 ILE 55 -0.880 -2.517 7.955 394 HD12 ILE 55 2HD1 ILE 55 -0.893 -2.425 9.717 395 HD13 ILE 55 3HD1 ILE 55 -0.025 -3.730 8.909 396 H ASN 56 H ASN 56 -2.675 -1.203 12.553 397 HA ASN 56 HA ASN 56 -5.518 -1.002 13.292 398 HB2 ASN 56 1HB ASN 56 -3.549 -1.230 15.042 399 HB3 ASN 56 2HB ASN 56 -3.390 0.501 14.759 400 HD21 ASN 56 1HD2 ASN 56 -3.957 0.718 17.000 401 HD22 ASN 56 2HD2 ASN 56 -5.618 0.676 17.473 402 H TYR 57 H TYR 57 -6.481 0.348 11.902 403 HA TYR 57 HA TYR 57 -5.182 2.478 10.567 404 HB2 TYR 57 1HB TYR 57 -8.129 1.947 10.992 405 HB3 TYR 57 2HB TYR 57 -7.475 3.145 9.880 406 HD1 TYR 57 2HD TYR 57 -5.433 1.939 8.396 407 HD2 TYR 57 1HD TYR 57 -8.959 0.098 9.906 408 HE1 TYR 57 2HE TYR 57 -5.288 0.230 6.634 409 HE2 TYR 57 1HE TYR 57 -8.823 -1.617 8.149 410 HH TYR 57 HH TYR 57 -6.572 -1.373 5.514 411 H ASP 58 H ASP 58 -7.089 2.280 13.511 412 HA ASP 58 HA ASP 58 -7.807 4.804 14.092 413 HB2 ASP 58 1HB ASP 58 -6.373 2.929 15.985 414 HB3 ASP 58 2HB ASP 58 -7.320 4.332 16.474 415 H LEU 59 H LEU 59 -4.512 3.582 14.078 416 HA LEU 59 HA LEU 59 -3.459 6.141 14.984 417 HB2 LEU 59 1HB LEU 59 -1.915 3.710 14.113 418 HB3 LEU 59 2HB LEU 59 -1.328 5.073 15.064 419 HG LEU 59 HG LEU 59 -3.463 3.209 16.071 420 HD11 LEU 59 1HD1 LEU 59 -0.644 2.685 15.695 421 HD12 LEU 59 2HD1 LEU 59 -1.937 1.600 16.206 422 HD13 LEU 59 3HD1 LEU 59 -1.105 2.601 17.395 423 HD21 LEU 59 1HD2 LEU 59 -3.324 5.317 17.230 424 HD22 LEU 59 2HD2 LEU 59 -1.577 5.148 17.404 425 HD23 LEU 59 3HD2 LEU 59 -2.660 4.046 18.257 426 H VAL 60 H VAL 60 -3.610 4.163 12.079 427 HA VAL 60 HA VAL 60 -1.831 5.656 10.490 428 HB VAL 60 HB VAL 60 -4.235 4.069 9.579 429 HG11 VAL 60 1HG1 VAL 60 -2.056 5.465 8.171 430 HG12 VAL 60 2HG1 VAL 60 -2.418 3.834 7.603 431 HG13 VAL 60 3HG1 VAL 60 -3.684 5.062 7.629 432 HG21 VAL 60 1HG2 VAL 60 -2.389 2.337 9.128 433 HG22 VAL 60 2HG2 VAL 60 -1.425 3.277 10.267 434 HG23 VAL 60 3HG2 VAL 60 -2.944 2.547 10.788 435 H LYS 61 H LYS 61 -2.015 7.559 9.496 436 HA LYS 61 HA LYS 61 -4.378 9.149 9.886 437 HB2 LYS 61 1HB LYS 61 -1.653 9.601 8.756 438 HB3 LYS 61 2HB LYS 61 -2.931 10.727 8.319 439 HG2 LYS 61 1HG LYS 61 -2.551 10.074 11.192 440 HG3 LYS 61 2HG LYS 61 -1.386 11.141 10.404 441 HD2 LYS 61 1HD LYS 61 -4.359 11.583 10.248 442 HD3 LYS 61 2HD LYS 61 -3.363 12.259 11.539 443 HE2 LYS 61 1HE LYS 61 -1.949 13.329 9.781 444 HE3 LYS 61 2HE LYS 61 -3.113 12.774 8.579 445 HZ1 LYS 61 1HZ LYS 61 -3.217 15.124 9.969 446 HZ2 LYS 61 2HZ LYS 61 -4.374 14.156 10.736 447 HZ3 LYS 61 3HZ LYS 61 -4.477 14.439 9.071 448 H SER 62 H SER 62 -5.094 10.528 7.899 449 HA SER 62 HA SER 62 -5.066 9.208 5.355 450 HB2 SER 62 1HB SER 62 -7.471 8.723 5.240 451 HB3 SER 62 2HB SER 62 -6.708 7.801 6.535 452 HG SER 62 HG SER 62 -7.417 9.851 7.792 453 H GLY 63 H GLY 63 -5.994 10.467 3.690 454 HA2 GLY 63 1HA GLY 63 -7.041 12.358 2.781 455 HA3 GLY 63 2HA GLY 63 -7.199 13.022 4.400 456 H ASN 64 H ASN 64 -6.259 14.971 4.266 457 HA ASN 64 HA ASN 64 -3.968 15.508 2.665 458 HB2 ASN 64 1HB ASN 64 -5.287 17.108 4.866 459 HB3 ASN 64 2HB ASN 64 -3.977 17.712 3.856 460 HD21 ASN 64 1HD2 ASN 64 -5.850 19.312 3.590 461 HD22 ASN 64 2HD2 ASN 64 -6.876 19.039 2.227 462 H LEU 65 H LEU 65 -2.235 14.252 3.223 463 HA LEU 65 HA LEU 65 -1.332 14.253 6.003 464 HB2 LEU 65 1HB LEU 65 -0.217 12.752 3.640 465 HB3 LEU 65 2HB LEU 65 0.200 12.507 5.335 466 HG LEU 65 HG LEU 65 -2.530 11.985 4.164 467 HD11 LEU 65 1HD1 LEU 65 -1.999 9.695 4.061 468 HD12 LEU 65 2HD1 LEU 65 -0.487 9.923 4.938 469 HD13 LEU 65 3HD1 LEU 65 -0.649 10.527 3.289 470 HD21 LEU 65 1HD2 LEU 65 -2.101 12.505 6.692 471 HD22 LEU 65 2HD2 LEU 65 -1.489 10.851 6.719 472 HD23 LEU 65 3HD2 LEU 65 -3.151 11.168 6.220 473 H THR 66 H THR 66 -0.166 15.990 6.527 474 HA THR 66 HA THR 66 1.348 17.521 4.685 475 HB THR 66 HB THR 66 0.425 18.458 6.784 476 HG1 THR 66 1HG THR 66 2.500 19.184 5.623 477 HG21 THR 66 1HG2 THR 66 2.694 17.065 8.194 478 HG22 THR 66 2HG2 THR 66 1.047 16.434 8.172 479 HG23 THR 66 3HG2 THR 66 1.382 18.001 8.907 480 H GLU 67 H GLU 67 3.684 17.920 4.829 481 HA GLU 67 HA GLU 67 5.288 15.876 4.212 482 HB2 GLU 67 1HB GLU 67 7.193 17.201 5.333 483 HB3 GLU 67 2HB GLU 67 6.269 17.989 4.061 484 HG2 GLU 67 1HG GLU 67 4.845 18.949 5.966 485 HG3 GLU 67 2HG GLU 67 6.173 18.457 7.015 486 H ASP 68 H ASP 68 4.538 16.870 7.522 487 HA ASP 68 HA ASP 68 6.233 14.946 8.762 488 HB2 ASP 68 1HB ASP 68 4.092 16.813 9.677 489 HB3 ASP 68 2HB ASP 68 4.552 15.488 10.743 490 H ASP 69 H ASP 69 2.763 15.063 8.049 491 HA ASP 69 HA ASP 69 2.037 12.659 9.284 492 HB2 ASP 69 1HB ASP 69 0.853 14.125 6.925 493 HB3 ASP 69 2HB ASP 69 0.112 12.693 7.633 494 H LYS 70 H LYS 70 2.584 13.218 5.801 495 HA LYS 70 HA LYS 70 2.405 10.748 4.771 496 HB2 LYS 70 1HB LYS 70 4.429 12.900 4.219 497 HB3 LYS 70 2HB LYS 70 4.454 11.389 3.318 498 HG2 LYS 70 1HG LYS 70 2.202 11.792 2.524 499 HG3 LYS 70 2HG LYS 70 2.106 13.269 3.485 500 HD2 LYS 70 1HD LYS 70 4.123 14.082 2.184 501 HD3 LYS 70 2HD LYS 70 3.864 12.709 1.106 502 HE2 LYS 70 1HE LYS 70 1.670 13.510 0.531 503 HE3 LYS 70 2HE LYS 70 1.783 14.800 1.728 504 HZ1 LYS 70 1HZ LYS 70 3.057 16.053 0.386 505 HZ2 LYS 70 2HZ LYS 70 2.357 15.129 -0.845 506 HZ3 LYS 70 3HZ LYS 70 3.895 14.734 -0.262 507 H HIS 71 H HIS 71 5.387 11.980 6.287 508 HA HIS 71 HA HIS 71 6.880 9.633 6.099 509 HB2 HIS 71 1HB HIS 71 6.988 12.068 7.809 510 HB3 HIS 71 2HB HIS 71 7.933 10.673 8.322 511 HD1 HIS 71 1HD HIS 71 9.927 9.974 6.817 512 HD2 HIS 71 2HD HIS 71 7.931 13.385 5.537 513 HE1 HIS 71 1HE HIS 71 11.428 11.026 5.095 514 HE2 HIS 71 2HE HIS 71 10.239 13.133 4.398 515 H ASN 72 H ASN 72 4.830 10.792 8.765 516 HA ASN 72 HA ASN 72 5.262 8.718 10.557 517 HB2 ASN 72 1HB ASN 72 3.011 10.625 10.081 518 HB3 ASN 72 2HB ASN 72 2.755 9.284 11.194 519 HD21 ASN 72 1HD2 ASN 72 3.705 12.415 10.972 520 HD22 ASN 72 2HD2 ASN 72 4.627 12.542 12.428 521 H ASN 73 H ASN 73 2.733 8.988 8.066 522 HA ASN 73 HA ASN 73 1.412 6.604 8.516 523 HB2 ASN 73 1HB ASN 73 1.947 8.030 5.903 524 HB3 ASN 73 2HB ASN 73 0.812 6.695 6.079 525 HD21 ASN 73 1HD2 ASN 73 -1.173 7.445 6.042 526 HD22 ASN 73 2HD2 ASN 73 -1.746 8.856 6.859 527 H ALA 74 H ALA 74 4.139 7.163 6.291 528 HA ALA 74 HA ALA 74 4.437 4.536 5.405 529 HB1 ALA 74 1HB ALA 74 5.999 5.497 4.161 530 HB2 ALA 74 2HB ALA 74 5.816 6.978 5.101 531 HB3 ALA 74 3HB ALA 74 7.004 5.768 5.585 532 H LYS 75 H LYS 75 6.223 6.199 8.007 533 HA LYS 75 HA LYS 75 7.884 4.278 8.908 534 HB2 LYS 75 1HB LYS 75 6.259 6.331 10.341 535 HB3 LYS 75 2HB LYS 75 7.140 5.147 11.298 536 HG2 LYS 75 1HG LYS 75 9.196 5.821 9.977 537 HG3 LYS 75 2HG LYS 75 8.242 7.185 9.390 538 HD2 LYS 75 1HD LYS 75 8.389 6.655 12.325 539 HD3 LYS 75 2HD LYS 75 9.753 7.432 11.517 540 HE2 LYS 75 1HE LYS 75 8.050 9.062 10.559 541 HE3 LYS 75 2HE LYS 75 6.911 8.393 11.727 542 HZ1 LYS 75 1HZ LYS 75 9.543 9.505 12.512 543 HZ2 LYS 75 2HZ LYS 75 8.230 9.138 13.514 544 HZ3 LYS 75 3HZ LYS 75 8.138 10.445 12.443 545 H TYR 76 H TYR 76 4.426 4.478 9.687 546 HA TYR 76 HA TYR 76 4.328 2.243 11.384 547 HB2 TYR 76 1HB TYR 76 2.553 4.071 10.979 548 HB3 TYR 76 2HB TYR 76 2.036 3.077 9.621 549 HD1 TYR 76 1HD TYR 76 2.764 2.784 13.274 550 HD2 TYR 76 2HD TYR 76 0.405 1.479 9.983 551 HE1 TYR 76 1HE TYR 76 1.399 1.422 14.801 552 HE2 TYR 76 2HE TYR 76 -0.968 0.114 11.501 553 HH TYR 76 HH TYR 76 -1.264 0.485 14.548 554 H ALA 77 H ALA 77 3.497 2.518 7.929 555 HA ALA 77 HA ALA 77 2.827 -0.103 7.413 556 HB1 ALA 77 1HB ALA 77 3.881 2.133 5.795 557 HB2 ALA 77 2HB ALA 77 4.013 0.520 5.093 558 HB3 ALA 77 3HB ALA 77 2.435 1.148 5.569 559 H VAL 78 H VAL 78 6.061 1.365 7.359 560 HA VAL 78 HA VAL 78 7.518 -0.831 6.478 561 HB VAL 78 HB VAL 78 8.378 1.279 8.463 562 HG11 VAL 78 1HG1 VAL 78 9.857 -0.641 8.546 563 HG12 VAL 78 2HG1 VAL 78 10.021 -0.618 6.789 564 HG13 VAL 78 3HG1 VAL 78 10.664 0.712 7.754 565 HG21 VAL 78 1HG2 VAL 78 8.486 1.139 5.459 566 HG22 VAL 78 2HG2 VAL 78 7.703 2.358 6.464 567 HG23 VAL 78 3HG2 VAL 78 9.463 2.263 6.405 568 H SER 79 H SER 79 7.179 0.207 9.878 569 HA SER 79 HA SER 79 8.355 -1.865 11.166 570 HB2 SER 79 1HB SER 79 5.817 -0.410 11.930 571 HB3 SER 79 2HB SER 79 6.680 -1.498 13.018 572 HG SER 79 HG SER 79 7.355 0.622 13.368 573 H MET 80 H MET 80 4.920 -1.803 10.212 574 HA MET 80 HA MET 80 4.246 -4.363 11.058 575 HB2 MET 80 1HB MET 80 3.153 -2.887 8.657 576 HB3 MET 80 2HB MET 80 2.373 -4.225 9.491 577 HG2 MET 80 1HG MET 80 2.813 -1.424 10.454 578 HG3 MET 80 2HG MET 80 1.297 -2.301 10.263 579 HE1 MET 80 1HE MET 80 2.029 -5.080 11.401 580 HE2 MET 80 2HE MET 80 1.721 -5.008 13.136 581 HE3 MET 80 3HE MET 80 0.544 -4.343 12.002 582 H ALA 81 H ALA 81 4.980 -3.399 7.699 583 HA ALA 81 HA ALA 81 5.027 -5.772 6.430 584 HB1 ALA 81 1HB ALA 81 7.152 -4.778 5.220 585 HB2 ALA 81 2HB ALA 81 5.555 -4.055 5.021 586 HB3 ALA 81 3HB ALA 81 6.713 -3.340 6.143 587 H ARG 82 H ARG 82 7.727 -4.488 8.357 588 HA ARG 82 HA ARG 82 9.319 -6.846 8.006 589 HB2 ARG 82 1HB ARG 82 10.897 -5.801 9.480 590 HB3 ARG 82 2HB ARG 82 10.263 -4.566 8.401 591 HG2 ARG 82 1HG ARG 82 9.034 -3.545 10.079 592 HG3 ARG 82 2HG ARG 82 9.051 -4.984 11.101 593 HD2 ARG 82 1HD ARG 82 11.598 -3.569 10.413 594 HD3 ARG 82 2HD ARG 82 10.567 -2.975 11.714 595 HE ARG 82 HE ARG 82 10.934 -5.674 12.181 596 HH11 ARG 82 2HH1 ARG 82 12.921 -2.826 11.938 597 HH12 ARG 82 1HH1 ARG 82 14.125 -3.413 13.037 598 HH21 ARG 82 2HH2 ARG 82 12.512 -6.458 13.629 599 HH22 ARG 82 1HH2 ARG 82 13.892 -5.480 13.997 600 H ARG 83 H ARG 83 7.031 -5.682 10.375 601 HA ARG 83 HA ARG 83 7.667 -7.355 12.521 602 HB2 ARG 83 1HB ARG 83 5.984 -5.390 12.370 603 HB3 ARG 83 2HB ARG 83 4.836 -6.614 11.846 604 HG2 ARG 83 1HG ARG 83 5.502 -7.873 13.977 605 HG3 ARG 83 2HG ARG 83 6.207 -6.339 14.492 606 HD2 ARG 83 1HD ARG 83 3.402 -6.406 13.473 607 HD3 ARG 83 2HD ARG 83 3.741 -6.941 15.119 608 HE ARG 83 HE ARG 83 3.600 -4.273 14.228 609 HH11 ARG 83 2HH1 ARG 83 5.496 -6.337 16.293 610 HH12 ARG 83 1HH1 ARG 83 5.978 -5.054 17.353 611 HH21 ARG 83 2HH2 ARG 83 4.227 -2.575 15.616 612 HH22 ARG 83 1HH2 ARG 83 5.254 -2.915 16.967 613 H ILE 84 H ILE 84 5.538 -7.887 9.741 614 HA ILE 84 HA ILE 84 4.783 -10.523 10.616 615 HB ILE 84 HB ILE 84 3.783 -10.688 8.298 616 HG12 ILE 84 1HG1 ILE 84 4.449 -7.743 8.170 617 HG13 ILE 84 2HG1 ILE 84 5.370 -8.981 7.322 618 HG21 ILE 84 1HG2 ILE 84 2.242 -10.154 9.927 619 HG22 ILE 84 2HG2 ILE 84 3.032 -8.629 10.325 620 HG23 ILE 84 3HG2 ILE 84 2.096 -8.776 8.837 621 HD11 ILE 84 1HD1 ILE 84 3.965 -8.383 5.657 622 HD12 ILE 84 2HD1 ILE 84 2.949 -9.603 6.426 623 HD13 ILE 84 3HD1 ILE 84 2.682 -7.893 6.762 624 H GLY 85 H GLY 85 7.545 -9.277 9.251 625 HA2 GLY 85 1HA GLY 85 9.446 -10.363 8.515 626 HA3 GLY 85 2HA GLY 85 8.593 -11.889 8.699 627 H ALA 86 H ALA 86 9.230 -9.194 6.551 628 HA ALA 86 HA ALA 86 8.320 -10.867 4.301 629 HB1 ALA 86 1HB ALA 86 6.830 -9.267 3.871 630 HB2 ALA 86 2HB ALA 86 7.579 -8.151 5.014 631 HB3 ALA 86 3HB ALA 86 8.197 -8.274 3.366 632 H ARG 87 H ARG 87 10.976 -10.661 5.514 633 HA ARG 87 HA ARG 87 13.164 -10.145 5.002 634 HB2 ARG 87 1HB ARG 87 12.540 -12.141 3.626 635 HB3 ARG 87 2HB ARG 87 12.213 -11.054 2.282 636 HG2 ARG 87 1HG ARG 87 14.421 -10.633 1.901 637 HG3 ARG 87 2HG ARG 87 14.876 -10.902 3.585 638 HD2 ARG 87 1HD ARG 87 15.028 -13.170 3.325 639 HD3 ARG 87 2HD ARG 87 13.837 -13.209 2.025 640 HE ARG 87 HE ARG 87 16.199 -11.859 1.212 641 HH11 ARG 87 2HH1 ARG 87 14.879 -15.028 1.790 642 HH12 ARG 87 1HH1 ARG 87 15.940 -15.817 0.670 643 HH21 ARG 87 2HH2 ARG 87 17.601 -12.886 -0.265 644 HH22 ARG 87 1HH2 ARG 87 17.488 -14.597 -0.498 645 H VAL 88 H VAL 88 11.682 -7.803 4.946 646 HA VAL 88 HA VAL 88 12.943 -6.362 2.706 647 HB VAL 88 HB VAL 88 10.583 -6.366 2.272 648 HG11 VAL 88 1HG1 VAL 88 10.318 -6.461 5.038 649 HG12 VAL 88 2HG1 VAL 88 9.637 -4.900 4.576 650 HG13 VAL 88 3HG1 VAL 88 9.016 -6.383 3.852 651 HG21 VAL 88 1HG2 VAL 88 12.006 -4.200 2.140 652 HG22 VAL 88 2HG2 VAL 88 10.255 -4.094 1.959 653 HG23 VAL 88 3HG2 VAL 88 11.010 -3.669 3.495 654 H TYR 89 H TYR 89 14.445 -5.002 3.397 655 HA TYR 89 HA TYR 89 14.142 -3.810 6.076 656 HB2 TYR 89 1HB TYR 89 16.702 -3.561 5.900 657 HB3 TYR 89 2HB TYR 89 16.050 -5.165 6.218 658 HD1 TYR 89 2HD TYR 89 15.738 -6.721 4.183 659 HD2 TYR 89 1HD TYR 89 18.162 -3.224 4.114 660 HE1 TYR 89 2HE TYR 89 16.945 -7.603 2.230 661 HE2 TYR 89 1HE TYR 89 19.375 -4.096 2.160 662 HH TYR 89 HH TYR 89 19.803 -6.632 1.241 663 H ALA 90 H ALA 90 12.928 -2.643 3.851 664 HA ALA 90 HA ALA 90 14.604 -0.565 2.784 665 HB1 ALA 90 1HB ALA 90 11.639 -1.063 2.631 666 HB2 ALA 90 2HB ALA 90 12.443 0.296 1.845 667 HB3 ALA 90 3HB ALA 90 12.851 -1.357 1.385 668 H LEU 91 H LEU 91 14.161 1.731 3.059 669 HA LEU 91 HA LEU 91 13.619 2.351 5.855 670 HB2 LEU 91 1HB LEU 91 14.596 4.200 3.689 671 HB3 LEU 91 2HB LEU 91 14.648 4.470 5.430 672 HG LEU 91 HG LEU 91 16.244 2.387 3.939 673 HD11 LEU 91 1HD1 LEU 91 16.674 5.090 3.953 674 HD12 LEU 91 2HD1 LEU 91 17.908 3.856 3.702 675 HD13 LEU 91 3HD1 LEU 91 17.659 4.539 5.309 676 HD21 LEU 91 1HD2 LEU 91 17.441 2.736 6.347 677 HD22 LEU 91 2HD2 LEU 91 16.290 1.451 5.981 678 HD23 LEU 91 3HD2 LEU 91 15.742 2.924 6.782 679 HA PRO 92 HA PRO 92 9.633 4.066 5.172 680 HB2 PRO 92 1HB PRO 92 9.573 5.951 7.125 681 HB3 PRO 92 2HB PRO 92 9.454 4.219 7.458 682 HG2 PRO 92 1HG PRO 92 11.832 6.027 7.654 683 HG3 PRO 92 2HG PRO 92 11.295 4.759 8.771 684 HD2 PRO 92 1HD PRO 92 13.295 4.377 6.986 685 HD3 PRO 92 2HD PRO 92 12.203 3.071 7.490 686 H GLU 93 H GLU 93 12.483 5.843 4.704 687 HA GLU 93 HA GLU 93 11.232 8.348 4.021 688 HB2 GLU 93 1HB GLU 93 14.050 7.343 3.588 689 HB3 GLU 93 2HB GLU 93 13.509 8.981 3.245 690 HG2 GLU 93 1HG GLU 93 12.972 9.305 5.601 691 HG3 GLU 93 2HG GLU 93 13.501 7.660 5.950 692 H ASP 94 H ASP 94 12.812 5.717 2.228 693 HA ASP 94 HA ASP 94 12.628 6.683 -0.337 694 HB2 ASP 94 1HB ASP 94 12.300 3.856 0.676 695 HB3 ASP 94 2HB ASP 94 12.430 4.261 -1.034 696 H LEU 95 H LEU 95 10.090 5.389 1.685 697 HA LEU 95 HA LEU 95 8.155 5.047 -0.367 698 HB2 LEU 95 1HB LEU 95 7.932 5.359 2.616 699 HB3 LEU 95 2HB LEU 95 6.534 5.099 1.574 700 HG LEU 95 HG LEU 95 8.811 3.159 1.531 701 HD11 LEU 95 1HD1 LEU 95 8.073 3.605 3.914 702 HD12 LEU 95 2HD1 LEU 95 7.962 1.937 3.354 703 HD13 LEU 95 3HD1 LEU 95 6.510 2.933 3.449 704 HD21 LEU 95 1HD2 LEU 95 5.836 2.888 1.109 705 HD22 LEU 95 2HD2 LEU 95 7.032 1.604 0.926 706 HD23 LEU 95 3HD2 LEU 95 7.055 2.993 -0.162 707 H VAL 96 H VAL 96 8.854 7.667 1.913 708 HA VAL 96 HA VAL 96 6.713 9.343 1.310 709 HB VAL 96 HB VAL 96 9.521 10.014 2.184 710 HG11 VAL 96 1HG1 VAL 96 7.431 11.765 1.228 711 HG12 VAL 96 2HG1 VAL 96 7.850 12.118 2.905 712 HG13 VAL 96 3HG1 VAL 96 9.100 12.136 1.661 713 HG21 VAL 96 1HG2 VAL 96 8.215 8.725 3.783 714 HG22 VAL 96 2HG2 VAL 96 8.455 10.373 4.365 715 HG23 VAL 96 3HG2 VAL 96 6.902 9.897 3.678 716 H GLU 97 H GLU 97 9.953 9.222 -0.152 717 HA GLU 97 HA GLU 97 9.300 11.242 -2.095 718 HB2 GLU 97 1HB GLU 97 11.672 9.370 -2.021 719 HB3 GLU 97 2HB GLU 97 11.526 10.834 -2.984 720 HG2 GLU 97 1HG GLU 97 11.378 12.142 -0.887 721 HG3 GLU 97 2HG GLU 97 11.669 10.656 0.016 722 H VAL 98 H VAL 98 8.743 7.928 -1.820 723 HA VAL 98 HA VAL 98 7.874 6.365 -3.229 724 HB VAL 98 HB VAL 98 7.439 8.603 -5.203 725 HG11 VAL 98 1HG1 VAL 98 6.146 7.182 -6.363 726 HG12 VAL 98 2HG1 VAL 98 7.033 5.927 -5.494 727 HG13 VAL 98 3HG1 VAL 98 5.458 6.463 -4.908 728 HG21 VAL 98 1HG2 VAL 98 5.237 7.816 -3.410 729 HG22 VAL 98 2HG2 VAL 98 6.547 8.728 -2.660 730 HG23 VAL 98 3HG2 VAL 98 5.679 9.404 -4.038 731 H LYS 99 H LYS 99 10.552 6.384 -3.221 732 HA LYS 99 HA LYS 99 11.684 6.670 -5.838 733 HB2 LYS 99 1HB LYS 99 12.801 5.210 -3.437 734 HB3 LYS 99 2HB LYS 99 13.701 5.727 -4.857 735 HG2 LYS 99 1HG LYS 99 13.197 8.073 -4.283 736 HG3 LYS 99 2HG LYS 99 12.389 7.512 -2.817 737 HD2 LYS 99 1HD LYS 99 14.589 6.347 -2.255 738 HD3 LYS 99 2HD LYS 99 15.303 7.330 -3.536 739 HE2 LYS 99 1HE LYS 99 14.846 9.334 -2.399 740 HE3 LYS 99 2HE LYS 99 13.705 8.552 -1.307 741 HZ1 LYS 99 1HZ LYS 99 16.386 9.026 -0.858 742 HZ2 LYS 99 2HZ LYS 99 16.263 7.355 -1.093 743 HZ3 LYS 99 3HZ LYS 99 15.337 8.111 0.104 744 HA PRO 100 HA PRO 100 10.226 2.744 -7.340 745 HB2 PRO 100 1HB PRO 100 11.519 2.853 -9.725 746 HB3 PRO 100 2HB PRO 100 10.048 3.772 -9.387 747 HG2 PRO 100 1HG PRO 100 12.901 4.675 -9.329 748 HG3 PRO 100 2HG PRO 100 11.479 5.503 -9.989 749 HD2 PRO 100 1HD PRO 100 12.534 6.123 -7.573 750 HD3 PRO 100 2HD PRO 100 10.798 6.253 -7.918 751 H LYS 101 H LYS 101 13.293 3.564 -6.324 752 HA LYS 101 HA LYS 101 14.703 1.251 -7.300 753 HB2 LYS 101 1HB LYS 101 15.436 3.256 -5.158 754 HB3 LYS 101 2HB LYS 101 16.514 2.021 -5.796 755 HG2 LYS 101 1HG LYS 101 15.258 4.172 -7.482 756 HG3 LYS 101 2HG LYS 101 16.854 4.304 -6.739 757 HD2 LYS 101 1HD LYS 101 16.156 1.966 -8.480 758 HD3 LYS 101 2HD LYS 101 16.681 3.496 -9.188 759 HE2 LYS 101 1HE LYS 101 18.689 3.355 -7.648 760 HE3 LYS 101 2HE LYS 101 18.196 1.696 -7.311 761 HZ1 LYS 101 1HZ LYS 101 19.829 2.426 -9.313 762 HZ2 LYS 101 2HZ LYS 101 18.344 2.356 -10.118 763 HZ3 LYS 101 3HZ LYS 101 18.923 0.997 -9.293 764 H MET 102 H MET 102 13.256 2.265 -4.230 765 HA MET 102 HA MET 102 13.665 -0.462 -3.203 766 HB2 MET 102 1HB MET 102 13.124 2.104 -1.699 767 HB3 MET 102 2HB MET 102 13.310 0.519 -0.960 768 HG2 MET 102 1HG MET 102 15.465 1.706 -2.665 769 HG3 MET 102 2HG MET 102 15.313 2.108 -0.956 770 HE1 MET 102 1HE MET 102 16.470 0.814 0.852 771 HE2 MET 102 2HE MET 102 14.924 -0.034 0.843 772 HE3 MET 102 3HE MET 102 16.431 -0.948 0.926 773 H VAL 103 H VAL 103 11.296 2.011 -3.886 774 HA VAL 103 HA VAL 103 9.096 0.853 -2.549 775 HB VAL 103 HB VAL 103 9.087 2.616 -5.003 776 HG11 VAL 103 1HG1 VAL 103 6.926 1.902 -4.982 777 HG12 VAL 103 2HG1 VAL 103 6.946 1.536 -3.256 778 HG13 VAL 103 3HG1 VAL 103 6.792 3.206 -3.803 779 HG21 VAL 103 1HG2 VAL 103 10.201 3.374 -2.759 780 HG22 VAL 103 2HG2 VAL 103 9.135 4.469 -3.639 781 HG23 VAL 103 3HG2 VAL 103 8.529 3.586 -2.238 782 H MET 104 H MET 104 10.809 -0.153 -5.282 783 HA MET 104 HA MET 104 8.631 -1.414 -6.666 784 HB2 MET 104 1HB MET 104 10.538 -0.732 -7.958 785 HB3 MET 104 2HB MET 104 11.629 -1.655 -6.934 786 HG2 MET 104 1HG MET 104 10.117 -3.662 -7.730 787 HG3 MET 104 2HG MET 104 9.800 -2.576 -9.080 788 HE1 MET 104 1HE MET 104 12.763 -4.265 -6.986 789 HE2 MET 104 2HE MET 104 11.764 -5.381 -7.918 790 HE3 MET 104 3HE MET 104 13.450 -5.120 -8.367 791 H THR 105 H THR 105 11.238 -2.489 -4.520 792 HA THR 105 HA THR 105 10.388 -5.236 -4.589 793 HB THR 105 HB THR 105 12.751 -4.691 -4.237 794 HG1 THR 105 1HG THR 105 11.288 -6.124 -2.316 795 HG21 THR 105 1HG2 THR 105 13.485 -3.776 -2.061 796 HG22 THR 105 2HG2 THR 105 11.798 -3.487 -1.637 797 HG23 THR 105 3HG2 THR 105 12.528 -2.623 -2.989 798 H VAL 106 H VAL 106 10.139 -2.541 -2.308 799 HA VAL 106 HA VAL 106 9.148 -3.718 -0.068 800 HB VAL 106 HB VAL 106 8.226 -1.148 -1.353 801 HG11 VAL 106 1HG1 VAL 106 7.303 -0.544 0.832 802 HG12 VAL 106 2HG1 VAL 106 6.494 -1.961 0.159 803 HG13 VAL 106 3HG1 VAL 106 7.691 -2.152 1.441 804 HG21 VAL 106 1HG2 VAL 106 9.939 -1.383 1.085 805 HG22 VAL 106 2HG2 VAL 106 10.655 -1.567 -0.517 806 HG23 VAL 106 3HG2 VAL 106 9.831 -0.069 -0.086 807 H PHE 107 H PHE 107 7.504 -3.297 -3.123 808 HA PHE 107 HA PHE 107 4.955 -4.171 -2.040 809 HB2 PHE 107 1HB PHE 107 5.908 -3.118 -4.662 810 HB3 PHE 107 2HB PHE 107 4.454 -4.110 -4.651 811 HD1 PHE 107 1HD PHE 107 2.987 -3.376 -2.353 812 HD2 PHE 107 2HD PHE 107 5.379 -0.900 -4.856 813 HE1 PHE 107 1HE PHE 107 1.655 -1.418 -1.683 814 HE2 PHE 107 2HE PHE 107 4.051 1.061 -4.190 815 HZ PHE 107 HZ PHE 107 2.187 0.804 -2.602 816 H ALA 108 H ALA 108 7.591 -5.423 -3.987 817 HA ALA 108 HA ALA 108 6.296 -7.808 -4.817 818 HB1 ALA 108 1HB ALA 108 8.124 -8.025 -6.056 819 HB2 ALA 108 2HB ALA 108 8.752 -6.557 -5.307 820 HB3 ALA 108 3HB ALA 108 9.143 -8.134 -4.620 821 H CYS 109 H CYS 109 8.737 -7.211 -2.285 822 HA CYS 109 HA CYS 109 9.000 -9.702 -1.220 823 HB2 CYS 109 1HB CYS 109 9.235 -8.469 1.038 824 HB3 CYS 109 2HB CYS 109 10.345 -8.046 -0.259 825 HG CYS 109 HG CYS 109 9.522 -5.583 -0.672 826 H LEU 110 H LEU 110 6.395 -7.398 -0.554 827 HA LEU 110 HA LEU 110 5.080 -8.837 1.443 828 HB2 LEU 110 1HB LEU 110 3.988 -6.965 -0.648 829 HB3 LEU 110 2HB LEU 110 3.053 -7.571 0.717 830 HG LEU 110 HG LEU 110 5.593 -6.010 1.102 831 HD11 LEU 110 1HD1 LEU 110 2.883 -4.752 1.225 832 HD12 LEU 110 2HD1 LEU 110 3.765 -4.832 -0.300 833 HD13 LEU 110 3HD1 LEU 110 4.467 -3.990 1.081 834 HD21 LEU 110 1HD2 LEU 110 4.982 -7.069 3.090 835 HD22 LEU 110 2HD2 LEU 110 3.260 -6.808 2.811 836 HD23 LEU 110 3HD2 LEU 110 4.299 -5.450 3.245 837 H MET 111 H MET 111 4.555 -8.855 -2.076 838 HA MET 111 HA MET 111 2.436 -10.585 -2.259 839 HB2 MET 111 1HB MET 111 3.447 -9.448 -4.188 840 HB3 MET 111 2HB MET 111 4.853 -10.499 -4.074 841 HG2 MET 111 1HG MET 111 3.148 -12.418 -4.350 842 HG3 MET 111 2HG MET 111 2.073 -11.156 -4.947 843 HE1 MET 111 1HE MET 111 2.322 -9.811 -6.881 844 HE2 MET 111 2HE MET 111 3.981 -9.213 -6.852 845 HE3 MET 111 3HE MET 111 3.387 -10.098 -8.258 846 H GLY 112 H GLY 112 5.885 -11.463 -2.106 847 HA2 GLY 112 1HA GLY 112 5.896 -14.135 -2.389 848 HA3 GLY 112 2HA GLY 112 6.842 -13.342 -1.138 849 H ARG 113 H ARG 113 5.573 -12.834 0.909 850 HA ARG 113 HA ARG 113 4.765 -15.137 2.153 851 HB2 ARG 113 1HB ARG 113 4.174 -12.247 2.702 852 HB3 ARG 113 2HB ARG 113 3.463 -13.502 3.709 853 HG2 ARG 113 1HG ARG 113 6.419 -13.287 3.217 854 HG3 ARG 113 2HG ARG 113 5.601 -12.474 4.552 855 HD2 ARG 113 1HD ARG 113 5.538 -15.445 4.039 856 HD3 ARG 113 2HD ARG 113 6.604 -14.644 5.193 857 HE ARG 113 HE ARG 113 4.044 -13.861 5.851 858 HH11 ARG 113 2HH1 ARG 113 5.804 -16.855 5.617 859 HH12 ARG 113 1HH1 ARG 113 4.882 -17.645 6.853 860 HH21 ARG 113 2HH2 ARG 113 2.823 -14.890 7.480 861 HH22 ARG 113 1HH2 ARG 113 3.186 -16.527 7.911 862 H GLY 114 H GLY 114 2.726 -12.764 0.486 863 HA2 GLY 114 1HA GLY 114 0.235 -13.878 1.139 864 HA3 GLY 114 2HA GLY 114 0.565 -12.888 -0.274 865 H MET 115 H MET 115 0.531 -13.818 -2.233 866 HA MET 115 HA MET 115 -0.601 -16.261 -2.718 867 HB2 MET 115 1HB MET 115 0.128 -16.061 -4.983 868 HB3 MET 115 2HB MET 115 -0.184 -14.434 -4.392 869 HG2 MET 115 1HG MET 115 1.796 -14.072 -5.427 870 HG3 MET 115 2HG MET 115 2.393 -14.526 -3.833 871 HE1 MET 115 1HE MET 115 1.609 -17.215 -7.250 872 HE2 MET 115 2HE MET 115 1.387 -15.467 -7.199 873 HE3 MET 115 3HE MET 115 2.890 -16.147 -7.825 874 H LYS 116 H LYS 116 0.007 -18.298 -2.440 875 HA LYS 116 HA LYS 116 2.860 -18.867 -2.021 876 HB2 LYS 116 1HB LYS 116 1.524 -19.503 -0.133 877 HB3 LYS 116 2HB LYS 116 0.369 -20.341 -1.161 878 HG2 LYS 116 1HG LYS 116 1.614 -22.056 -0.222 879 HG3 LYS 116 2HG LYS 116 2.344 -21.843 -1.815 880 HD2 LYS 116 1HD LYS 116 4.057 -20.369 -0.740 881 HD3 LYS 116 2HD LYS 116 3.381 -20.821 0.827 882 HE2 LYS 116 1HE LYS 116 3.797 -23.224 0.171 883 HE3 LYS 116 2HE LYS 116 4.714 -22.603 -1.201 884 HZ1 LYS 116 1HZ LYS 116 5.484 -21.425 1.300 885 HZ2 LYS 116 2HZ LYS 116 6.444 -22.122 0.094 886 HZ3 LYS 116 3HZ LYS 116 5.716 -23.100 1.267 887 H ARG 117 H ARG 117 0.055 -19.737 -3.924 888 HA ARG 117 HA ARG 117 1.620 -20.745 -6.050 889 HB2 ARG 117 1HB ARG 117 1.254 -23.060 -5.956 890 HB3 ARG 117 2HB ARG 117 1.713 -22.630 -4.313 891 HG2 ARG 117 1HG ARG 117 -1.158 -22.837 -5.158 892 HG3 ARG 117 2HG ARG 117 -0.235 -24.234 -4.602 893 HD2 ARG 117 1HD ARG 117 -1.126 -23.567 -2.614 894 HD3 ARG 117 2HD ARG 117 0.345 -22.595 -2.607 895 HE ARG 117 HE ARG 117 -1.002 -20.767 -2.575 896 HH11 ARG 117 2HH1 ARG 117 -2.709 -23.343 -4.178 897 HH12 ARG 117 1HH1 ARG 117 -4.141 -22.405 -4.443 898 HH21 ARG 117 2HH2 ARG 117 -2.881 -19.521 -2.919 899 HH22 ARG 117 1HH2 ARG 117 -4.238 -20.230 -3.728 900 H VAL 118 H VAL 118 0.264 -21.616 -7.823 901 HA VAL 118 HA VAL 118 -2.592 -21.229 -7.639 902 HB VAL 118 HB VAL 118 -1.853 -18.924 -7.991 903 HG11 VAL 118 1HG1 VAL 118 -0.505 -18.216 -9.751 904 HG12 VAL 118 2HG1 VAL 118 0.268 -19.714 -9.227 905 HG13 VAL 118 3HG1 VAL 118 -0.752 -19.703 -10.667 906 HG21 VAL 118 1HG2 VAL 118 -3.826 -18.879 -9.037 907 HG22 VAL 118 2HG2 VAL 118 -2.904 -18.924 -10.539 908 HG23 VAL 118 3HG2 VAL 118 -3.529 -20.419 -9.843 909 H SER 119 H SER 119 -3.573 -22.642 -8.932 910 HA SER 119 HA SER 119 -2.215 -23.532 -11.376 911 HB2 SER 119 1HB SER 119 -3.075 -25.218 -9.065 912 HB3 SER 119 2HB SER 119 -3.244 -25.879 -10.691 913 HG SER 119 HG SER 119 -0.924 -25.163 -9.286 914 H GLY 120 H GLY 120 -3.523 -23.659 -13.098 915 HA2 GLY 120 1HA GLY 120 -6.431 -23.488 -12.600 916 HA3 GLY 120 2HA GLY 120 -5.624 -22.685 -13.939 917 HA PRO 121 HA PRO 121 -7.358 -26.826 -15.298 918 HB2 PRO 121 1HB PRO 121 -8.944 -25.838 -17.267 919 HB3 PRO 121 2HB PRO 121 -9.491 -26.026 -15.597 920 HG2 PRO 121 1HG PRO 121 -8.514 -23.571 -17.005 921 HG3 PRO 121 2HG PRO 121 -9.889 -23.755 -15.901 922 HD2 PRO 121 1HD PRO 121 -7.509 -22.735 -15.108 923 HD3 PRO 121 2HD PRO 121 -8.553 -23.676 -14.024 924 H SER 122 H SER 122 -5.826 -27.786 -16.474 925 HA SER 122 HA SER 122 -3.990 -26.619 -18.153 926 HB2 SER 122 1HB SER 122 -3.685 -28.894 -19.142 927 HB3 SER 122 2HB SER 122 -3.706 -28.895 -17.379 928 HG SER 122 HG SER 122 -5.155 -30.385 -18.881 929 H SER 123 H SER 123 -7.066 -28.145 -19.081 930 HA SER 123 HA SER 123 -7.081 -26.484 -21.497 931 HB2 SER 123 1HB SER 123 -6.232 -28.839 -21.984 932 HB3 SER 123 2HB SER 123 -7.855 -29.401 -21.586 933 HG SER 123 HG SER 123 -7.016 -28.484 -23.893 934 H GLY 124 H GLY 124 -9.142 -25.979 -22.300 935 HA2 GLY 124 1HA GLY 124 -11.459 -25.820 -22.285 936 HA3 GLY 124 2HA GLY 124 -11.505 -27.044 -21.025 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -2.713 -7.650 -24.874 2 HA2 GLY 1 1HA GLY 1 -1.700 -7.445 -22.520 3 HA3 GLY 1 2HA GLY 1 -0.677 -8.180 -23.745 4 H SER 2 H SER 2 1.304 -7.385 -23.882 5 HA SER 2 HA SER 2 1.764 -4.531 -23.555 6 HB2 SER 2 1HB SER 2 3.519 -4.831 -21.877 7 HB3 SER 2 2HB SER 2 1.981 -5.443 -21.268 8 HG SER 2 HG SER 2 3.689 -7.219 -22.590 9 H SER 3 H SER 3 3.686 -3.801 -24.494 10 HA SER 3 HA SER 3 4.553 -5.099 -26.779 11 HB2 SER 3 1HB SER 3 5.887 -2.970 -25.103 12 HB3 SER 3 2HB SER 3 6.540 -3.517 -26.647 13 HG SER 3 HG SER 3 4.719 -1.684 -26.275 14 H GLY 4 H GLY 4 6.296 -4.832 -23.675 15 HA2 GLY 4 1HA GLY 4 7.150 -7.163 -22.992 16 HA3 GLY 4 2HA GLY 4 7.995 -7.080 -24.531 17 H SER 5 H SER 5 8.197 -6.455 -21.250 18 HA SER 5 HA SER 5 10.526 -4.696 -21.663 19 HB2 SER 5 1HB SER 5 8.461 -3.758 -20.411 20 HB3 SER 5 2HB SER 5 8.978 -4.797 -19.084 21 HG SER 5 HG SER 5 10.749 -3.603 -18.810 22 H SER 6 H SER 6 11.998 -4.818 -19.602 23 HA SER 6 HA SER 6 12.523 -7.674 -19.140 24 HB2 SER 6 1HB SER 6 14.291 -6.289 -20.282 25 HB3 SER 6 2HB SER 6 14.454 -5.372 -18.784 26 HG SER 6 HG SER 6 14.868 -7.483 -17.779 27 H GLY 7 H GLY 7 11.752 -8.359 -17.252 28 HA2 GLY 7 1HA GLY 7 12.104 -8.459 -14.869 29 HA3 GLY 7 2HA GLY 7 12.290 -6.712 -14.869 30 H ASN 8 H ASN 8 10.451 -8.644 -13.427 31 HA ASN 8 HA ASN 8 7.817 -8.079 -14.385 32 HB2 ASN 8 1HB ASN 8 7.062 -9.129 -12.295 33 HB3 ASN 8 2HB ASN 8 8.292 -10.107 -13.091 34 HD21 ASN 8 1HD2 ASN 8 7.344 -9.652 -10.222 35 HD22 ASN 8 2HD2 ASN 8 8.815 -9.443 -9.341 36 H ASP 9 H ASP 9 7.623 -5.845 -14.536 37 HA ASP 9 HA ASP 9 7.927 -4.276 -12.086 38 HB2 ASP 9 1HB ASP 9 7.630 -2.315 -13.552 39 HB3 ASP 9 2HB ASP 9 8.942 -3.352 -14.105 40 H ASP 10 H ASP 10 5.500 -4.963 -14.590 41 HA ASP 10 HA ASP 10 3.408 -3.587 -13.206 42 HB2 ASP 10 1HB ASP 10 3.087 -5.657 -15.382 43 HB3 ASP 10 2HB ASP 10 1.959 -4.378 -14.942 44 H ILE 11 H ILE 11 4.205 -7.014 -13.713 45 HA ILE 11 HA ILE 11 2.204 -8.376 -12.598 46 HB ILE 11 HB ILE 11 5.115 -8.785 -11.906 47 HG12 ILE 11 1HG1 ILE 11 3.412 -10.191 -13.969 48 HG13 ILE 11 2HG1 ILE 11 4.463 -8.828 -14.340 49 HG21 ILE 11 1HG2 ILE 11 4.137 -10.113 -10.329 50 HG22 ILE 11 2HG2 ILE 11 2.670 -10.350 -11.278 51 HG23 ILE 11 3HG2 ILE 11 4.141 -11.231 -11.692 52 HD11 ILE 11 1HD1 ILE 11 5.927 -10.832 -12.913 53 HD12 ILE 11 2HD1 ILE 11 5.122 -11.541 -14.313 54 HD13 ILE 11 3HD1 ILE 11 6.209 -10.168 -14.522 55 H ILE 12 H ILE 12 4.765 -6.872 -10.623 56 HA ILE 12 HA ILE 12 3.793 -7.482 -8.115 57 HB ILE 12 HB ILE 12 5.173 -4.930 -8.954 58 HG12 ILE 12 1HG1 ILE 12 6.315 -7.481 -7.794 59 HG13 ILE 12 2HG1 ILE 12 6.401 -7.024 -9.492 60 HG21 ILE 12 1HG2 ILE 12 4.045 -5.701 -6.455 61 HG22 ILE 12 2HG2 ILE 12 5.801 -5.669 -6.299 62 HG23 ILE 12 3HG2 ILE 12 4.940 -4.236 -6.860 63 HD11 ILE 12 1HD1 ILE 12 8.435 -6.592 -7.999 64 HD12 ILE 12 2HD1 ILE 12 7.898 -5.299 -9.073 65 HD13 ILE 12 3HD1 ILE 12 7.500 -5.242 -7.356 66 H VAL 13 H VAL 13 3.162 -4.484 -9.945 67 HA VAL 13 HA VAL 13 1.422 -3.251 -8.211 68 HB VAL 13 HB VAL 13 1.200 -3.271 -11.225 69 HG11 VAL 13 1HG1 VAL 13 0.339 -0.861 -10.595 70 HG12 VAL 13 2HG1 VAL 13 -0.752 -2.248 -10.608 71 HG13 VAL 13 3HG1 VAL 13 -0.090 -1.659 -9.083 72 HG21 VAL 13 1HG2 VAL 13 3.090 -2.109 -11.278 73 HG22 VAL 13 2HG2 VAL 13 2.398 -0.907 -10.188 74 HG23 VAL 13 3HG2 VAL 13 3.257 -2.301 -9.533 75 H ASN 14 H ASN 14 0.478 -5.376 -10.920 76 HA ASN 14 HA ASN 14 -2.224 -5.462 -10.562 77 HB2 ASN 14 1HB ASN 14 -0.230 -7.439 -11.558 78 HB3 ASN 14 2HB ASN 14 -1.867 -8.013 -11.257 79 HD21 ASN 14 1HD2 ASN 14 0.034 -7.075 -13.628 80 HD22 ASN 14 2HD2 ASN 14 -1.096 -6.299 -14.681 81 H TRP 15 H TRP 15 0.215 -7.295 -8.778 82 HA TRP 15 HA TRP 15 -1.666 -8.805 -7.256 83 HB2 TRP 15 1HB TRP 15 0.739 -9.447 -7.689 84 HB3 TRP 15 2HB TRP 15 1.205 -8.212 -6.523 85 HD1 TRP 15 HD TRP 15 -0.300 -11.698 -6.753 86 HE1 TRP 15 1HE TRP 15 -0.410 -12.719 -4.393 87 HE3 TRP 15 3HE TRP 15 0.959 -7.564 -4.022 88 HZ2 TRP 15 2HZ TRP 15 -0.016 -11.881 -1.726 89 HZ3 TRP 15 3HZ TRP 15 1.070 -7.758 -1.572 90 HH2 TRP 15 HH TRP 15 0.592 -9.872 -0.450 91 H VAL 16 H VAL 16 0.382 -5.993 -6.490 92 HA VAL 16 HA VAL 16 -0.296 -5.564 -3.873 93 HB VAL 16 HB VAL 16 0.043 -3.417 -5.972 94 HG11 VAL 16 1HG1 VAL 16 -0.791 -3.114 -3.373 95 HG12 VAL 16 2HG1 VAL 16 0.952 -2.862 -3.258 96 HG13 VAL 16 3HG1 VAL 16 -0.013 -1.874 -4.356 97 HG21 VAL 16 1HG2 VAL 16 2.398 -3.501 -4.685 98 HG22 VAL 16 2HG2 VAL 16 1.936 -5.199 -4.571 99 HG23 VAL 16 3HG2 VAL 16 2.062 -4.424 -6.150 100 H ASN 17 H ASN 17 -2.108 -4.546 -6.745 101 HA ASN 17 HA ASN 17 -4.182 -3.290 -5.202 102 HB2 ASN 17 1HB ASN 17 -3.991 -4.001 -8.135 103 HB3 ASN 17 2HB ASN 17 -5.344 -3.128 -7.423 104 HD21 ASN 17 1HD2 ASN 17 -4.085 -1.916 -9.408 105 HD22 ASN 17 2HD2 ASN 17 -3.092 -0.623 -8.836 106 H ARG 18 H ARG 18 -3.602 -6.434 -6.583 107 HA ARG 18 HA ARG 18 -6.262 -7.394 -6.522 108 HB2 ARG 18 1HB ARG 18 -4.481 -8.480 -7.822 109 HB3 ARG 18 2HB ARG 18 -3.665 -8.929 -6.331 110 HG2 ARG 18 1HG ARG 18 -4.747 -10.877 -6.811 111 HG3 ARG 18 2HG ARG 18 -5.960 -10.088 -5.800 112 HD2 ARG 18 1HD ARG 18 -5.947 -9.778 -8.786 113 HD3 ARG 18 2HD ARG 18 -6.732 -11.148 -8.003 114 HE ARG 18 HE ARG 18 -7.640 -8.790 -6.795 115 HH11 ARG 18 2HH1 ARG 18 -7.835 -10.466 -9.840 116 HH12 ARG 18 1HH1 ARG 18 -9.389 -9.817 -10.246 117 HH21 ARG 18 2HH2 ARG 18 -9.686 -7.929 -7.318 118 HH22 ARG 18 1HH2 ARG 18 -10.441 -8.373 -8.811 119 H THR 19 H THR 19 -3.564 -7.742 -4.230 120 HA THR 19 HA THR 19 -4.923 -9.267 -2.315 121 HB THR 19 HB THR 19 -2.692 -7.283 -1.832 122 HG1 THR 19 1HG THR 19 -1.897 -8.762 -3.247 123 HG21 THR 19 1HG2 THR 19 -4.221 -8.694 0.012 124 HG22 THR 19 2HG2 THR 19 -2.647 -7.953 0.299 125 HG23 THR 19 3HG2 THR 19 -2.751 -9.651 -0.163 126 H LEU 20 H LEU 20 -4.769 -5.793 -2.835 127 HA LEU 20 HA LEU 20 -5.869 -4.928 -0.417 128 HB2 LEU 20 1HB LEU 20 -5.999 -3.769 -3.190 129 HB3 LEU 20 2HB LEU 20 -6.639 -2.941 -1.772 130 HG LEU 20 HG LEU 20 -3.761 -3.789 -1.951 131 HD11 LEU 20 1HD1 LEU 20 -4.859 -2.074 -3.753 132 HD12 LEU 20 2HD1 LEU 20 -3.181 -2.031 -3.212 133 HD13 LEU 20 3HD1 LEU 20 -4.376 -0.971 -2.464 134 HD21 LEU 20 1HD2 LEU 20 -4.197 -3.230 0.239 135 HD22 LEU 20 2HD2 LEU 20 -5.405 -2.020 -0.195 136 HD23 LEU 20 3HD2 LEU 20 -3.689 -1.675 -0.422 137 H SER 21 H SER 21 -7.511 -5.569 -3.516 138 HA SER 21 HA SER 21 -10.115 -5.086 -2.643 139 HB2 SER 21 1HB SER 21 -9.575 -5.303 -5.009 140 HB3 SER 21 2HB SER 21 -9.142 -6.997 -4.781 141 HG SER 21 HG SER 21 -11.320 -6.561 -5.604 142 H GLU 22 H GLU 22 -8.235 -8.091 -2.655 143 HA GLU 22 HA GLU 22 -10.068 -9.956 -1.931 144 HB2 GLU 22 1HB GLU 22 -7.204 -9.560 -1.187 145 HB3 GLU 22 2HB GLU 22 -8.112 -10.829 -0.377 146 HG2 GLU 22 1HG GLU 22 -8.773 -11.465 -2.843 147 HG3 GLU 22 2HG GLU 22 -7.280 -10.606 -3.218 148 H ALA 23 H ALA 23 -8.694 -7.459 0.123 149 HA ALA 23 HA ALA 23 -10.090 -8.461 2.470 150 HB1 ALA 23 1HB ALA 23 -7.925 -6.555 1.954 151 HB2 ALA 23 2HB ALA 23 -9.041 -6.067 3.231 152 HB3 ALA 23 3HB ALA 23 -8.203 -7.615 3.336 153 H GLY 24 H GLY 24 -10.391 -5.954 0.058 154 HA2 GLY 24 1HA GLY 24 -12.514 -4.996 -0.463 155 HA3 GLY 24 2HA GLY 24 -13.004 -5.255 1.204 156 H LYS 25 H LYS 25 -9.983 -3.795 0.121 157 HA LYS 25 HA LYS 25 -10.584 -1.441 1.718 158 HB2 LYS 25 1HB LYS 25 -8.070 -2.003 0.145 159 HB3 LYS 25 2HB LYS 25 -8.273 -0.867 1.472 160 HG2 LYS 25 1HG LYS 25 -8.651 -3.821 1.833 161 HG3 LYS 25 2HG LYS 25 -7.073 -3.044 1.979 162 HD2 LYS 25 1HD LYS 25 -7.657 -1.915 3.896 163 HD3 LYS 25 2HD LYS 25 -9.379 -1.925 3.504 164 HE2 LYS 25 1HE LYS 25 -8.024 -4.525 4.018 165 HE3 LYS 25 2HE LYS 25 -8.374 -3.478 5.393 166 HZ1 LYS 25 1HZ LYS 25 -10.116 -5.202 4.663 167 HZ2 LYS 25 2HZ LYS 25 -10.480 -4.105 3.428 168 HZ3 LYS 25 3HZ LYS 25 -10.637 -3.639 5.047 169 H SER 26 H SER 26 -9.838 0.716 0.753 170 HA SER 26 HA SER 26 -10.886 0.919 -1.995 171 HB2 SER 26 1HB SER 26 -11.098 2.841 0.328 172 HB3 SER 26 2HB SER 26 -11.492 3.290 -1.332 173 HG SER 26 HG SER 26 -12.658 0.978 -0.287 174 H THR 27 H THR 27 -8.105 0.470 -1.121 175 HA THR 27 HA THR 27 -6.874 2.956 -2.117 176 HB THR 27 HB THR 27 -4.764 2.127 -1.071 177 HG1 THR 27 1HG THR 27 -5.843 -0.135 -0.965 178 HG21 THR 27 1HG2 THR 27 -6.152 2.165 1.362 179 HG22 THR 27 2HG2 THR 27 -7.116 3.139 0.251 180 HG23 THR 27 3HG2 THR 27 -5.420 3.535 0.528 181 H SER 28 H SER 28 -5.053 2.749 -3.551 182 HA SER 28 HA SER 28 -4.304 0.278 -4.720 183 HB2 SER 28 1HB SER 28 -6.539 0.420 -5.727 184 HB3 SER 28 2HB SER 28 -6.160 2.021 -6.362 185 HG SER 28 HG SER 28 -5.609 0.818 -8.033 186 H ILE 29 H ILE 29 -3.010 0.677 -6.797 187 HA ILE 29 HA ILE 29 -1.850 3.359 -6.900 188 HB ILE 29 HB ILE 29 0.455 2.360 -6.943 189 HG12 ILE 29 1HG1 ILE 29 -0.791 -0.016 -5.575 190 HG13 ILE 29 2HG1 ILE 29 -0.506 0.000 -7.312 191 HG21 ILE 29 1HG2 ILE 29 -0.403 1.672 -4.253 192 HG22 ILE 29 2HG2 ILE 29 0.650 2.973 -4.808 193 HG23 ILE 29 3HG2 ILE 29 -1.101 3.188 -4.825 194 HD11 ILE 29 1HD1 ILE 29 1.564 -0.674 -6.950 195 HD12 ILE 29 2HD1 ILE 29 1.888 0.819 -6.068 196 HD13 ILE 29 3HD1 ILE 29 1.302 -0.604 -5.207 197 H GLN 30 H GLN 30 -0.295 3.562 -8.761 198 HA GLN 30 HA GLN 30 -1.315 2.001 -11.035 199 HB2 GLN 30 1HB GLN 30 -0.029 4.737 -11.007 200 HB3 GLN 30 2HB GLN 30 -0.620 3.902 -12.438 201 HG2 GLN 30 1HG GLN 30 -2.891 3.938 -11.484 202 HG3 GLN 30 2HG GLN 30 -2.273 4.853 -10.110 203 HE21 GLN 30 1HE2 GLN 30 -3.130 4.934 -13.459 204 HE22 GLN 30 2HE2 GLN 30 -3.024 6.646 -13.662 205 H SER 31 H SER 31 1.584 3.121 -9.416 206 HA SER 31 HA SER 31 3.154 0.983 -10.361 207 HB2 SER 31 1HB SER 31 4.783 2.431 -11.704 208 HB3 SER 31 2HB SER 31 3.262 2.013 -12.492 209 HG SER 31 HG SER 31 2.671 4.190 -11.324 210 H PHE 32 H PHE 32 5.615 1.557 -9.981 211 HA PHE 32 HA PHE 32 5.820 2.308 -7.249 212 HB2 PHE 32 1HB PHE 32 8.032 1.916 -9.275 213 HB3 PHE 32 2HB PHE 32 8.219 1.932 -7.525 214 HD1 PHE 32 1HD PHE 32 5.777 0.315 -6.823 215 HD2 PHE 32 2HD PHE 32 8.800 -0.246 -9.767 216 HE1 PHE 32 1HE PHE 32 5.384 -2.113 -6.759 217 HE2 PHE 32 2HE PHE 32 8.412 -2.675 -9.708 218 HZ PHE 32 HZ PHE 32 6.701 -3.611 -8.203 219 H LYS 33 H LYS 33 5.646 4.136 -10.042 220 HA LYS 33 HA LYS 33 7.140 6.372 -8.850 221 HB2 LYS 33 1HB LYS 33 6.265 5.877 -11.700 222 HB3 LYS 33 2HB LYS 33 7.016 7.368 -11.148 223 HG2 LYS 33 1HG LYS 33 8.963 5.946 -10.381 224 HG3 LYS 33 2HG LYS 33 8.226 4.624 -11.290 225 HD2 LYS 33 1HD LYS 33 8.180 6.395 -13.224 226 HD3 LYS 33 2HD LYS 33 9.459 7.157 -12.277 227 HE2 LYS 33 1HE LYS 33 10.686 5.784 -13.652 228 HE3 LYS 33 2HE LYS 33 10.464 4.742 -12.247 229 HZ1 LYS 33 1HZ LYS 33 8.671 4.678 -14.607 230 HZ2 LYS 33 2HZ LYS 33 8.757 3.557 -13.344 231 HZ3 LYS 33 3HZ LYS 33 10.029 3.680 -14.453 232 H ASP 34 H ASP 34 4.271 5.327 -8.417 233 HA ASP 34 HA ASP 34 2.613 7.499 -9.323 234 HB2 ASP 34 1HB ASP 34 1.822 5.122 -8.972 235 HB3 ASP 34 2HB ASP 34 1.930 5.422 -7.240 236 H LYS 35 H LYS 35 1.533 9.011 -7.977 237 HA LYS 35 HA LYS 35 3.160 9.853 -5.707 238 HB2 LYS 35 1HB LYS 35 0.887 11.263 -7.117 239 HB3 LYS 35 2HB LYS 35 1.894 11.959 -5.854 240 HG2 LYS 35 1HG LYS 35 3.168 10.895 -8.332 241 HG3 LYS 35 2HG LYS 35 2.381 12.475 -8.356 242 HD2 LYS 35 1HD LYS 35 3.844 13.345 -6.731 243 HD3 LYS 35 2HD LYS 35 4.415 11.740 -6.269 244 HE2 LYS 35 1HE LYS 35 6.136 12.748 -7.561 245 HE3 LYS 35 2HE LYS 35 5.375 11.526 -8.578 246 HZ1 LYS 35 1HZ LYS 35 5.107 14.465 -8.732 247 HZ2 LYS 35 2HZ LYS 35 3.976 13.437 -9.457 248 HZ3 LYS 35 3HZ LYS 35 5.596 13.387 -9.941 249 H THR 36 H THR 36 1.311 7.550 -5.565 250 HA THR 36 HA THR 36 -0.606 8.549 -3.568 251 HB THR 36 HB THR 36 -1.789 6.397 -3.855 252 HG1 THR 36 1HG THR 36 -0.216 5.016 -4.576 253 HG21 THR 36 1HG2 THR 36 -2.978 7.591 -5.315 254 HG22 THR 36 2HG2 THR 36 -1.937 6.972 -6.597 255 HG23 THR 36 3HG2 THR 36 -1.548 8.499 -5.806 256 H ILE 37 H ILE 37 2.090 6.408 -4.094 257 HA ILE 37 HA ILE 37 1.884 4.854 -1.756 258 HB ILE 37 HB ILE 37 4.412 5.650 -3.204 259 HG12 ILE 37 1HG1 ILE 37 2.970 3.056 -3.616 260 HG13 ILE 37 2HG1 ILE 37 2.432 4.491 -4.482 261 HG21 ILE 37 1HG2 ILE 37 4.516 4.604 -0.861 262 HG22 ILE 37 2HG2 ILE 37 3.959 3.128 -1.649 263 HG23 ILE 37 3HG2 ILE 37 5.481 3.869 -2.142 264 HD11 ILE 37 1HD1 ILE 37 4.804 2.824 -4.878 265 HD12 ILE 37 2HD1 ILE 37 3.901 3.814 -6.024 266 HD13 ILE 37 3HD1 ILE 37 5.095 4.561 -4.963 267 H SER 38 H SER 38 3.119 8.062 -2.345 268 HA SER 38 HA SER 38 4.742 8.459 -0.140 269 HB2 SER 38 1HB SER 38 4.168 10.862 -0.353 270 HB3 SER 38 2HB SER 38 4.529 10.122 -1.912 271 HG SER 38 HG SER 38 2.676 11.298 -2.176 272 H SER 39 H SER 39 1.239 8.464 -0.364 273 HA SER 39 HA SER 39 0.794 9.491 2.264 274 HB2 SER 39 1HB SER 39 -1.529 8.971 1.889 275 HB3 SER 39 2HB SER 39 -0.869 9.609 0.384 276 HG SER 39 HG SER 39 -0.472 7.156 0.050 277 H SER 40 H SER 40 1.655 6.436 1.013 278 HA SER 40 HA SER 40 1.929 4.376 1.939 279 HB2 SER 40 1HB SER 40 1.823 5.839 4.586 280 HB3 SER 40 2HB SER 40 2.579 4.279 4.265 281 HG SER 40 HG SER 40 3.758 5.749 2.587 282 H LEU 41 H LEU 41 -0.795 5.469 1.529 283 HA LEU 41 HA LEU 41 -2.378 4.288 3.650 284 HB2 LEU 41 1HB LEU 41 -3.180 5.555 1.035 285 HB3 LEU 41 2HB LEU 41 -4.302 5.011 2.281 286 HG LEU 41 HG LEU 41 -2.257 7.198 2.648 287 HD11 LEU 41 1HD1 LEU 41 -3.778 8.119 1.154 288 HD12 LEU 41 2HD1 LEU 41 -4.415 8.598 2.726 289 HD13 LEU 41 3HD1 LEU 41 -5.144 7.250 1.854 290 HD21 LEU 41 1HD2 LEU 41 -4.357 7.391 4.492 291 HD22 LEU 41 2HD2 LEU 41 -2.683 6.937 4.811 292 HD23 LEU 41 3HD2 LEU 41 -3.885 5.692 4.473 293 H ALA 42 H ALA 42 -1.519 3.607 0.300 294 HA ALA 42 HA ALA 42 -3.248 1.362 0.012 295 HB1 ALA 42 1HB ALA 42 -1.785 0.861 -1.978 296 HB2 ALA 42 2HB ALA 42 -2.549 2.451 -1.972 297 HB3 ALA 42 3HB ALA 42 -0.845 2.289 -1.544 298 H VAL 43 H VAL 43 0.105 1.783 1.009 299 HA VAL 43 HA VAL 43 0.889 -0.911 0.974 300 HB VAL 43 HB VAL 43 1.846 1.329 2.762 301 HG11 VAL 43 1HG1 VAL 43 3.950 -0.315 2.615 302 HG12 VAL 43 2HG1 VAL 43 2.740 -0.419 3.895 303 HG13 VAL 43 3HG1 VAL 43 2.653 -1.506 2.508 304 HG21 VAL 43 1HG2 VAL 43 3.828 0.912 0.992 305 HG22 VAL 43 2HG2 VAL 43 2.435 0.499 -0.008 306 HG23 VAL 43 3HG2 VAL 43 2.537 2.089 0.748 307 H VAL 44 H VAL 44 -0.058 1.048 3.807 308 HA VAL 44 HA VAL 44 -0.143 -0.934 5.703 309 HB VAL 44 HB VAL 44 -2.030 1.412 5.451 310 HG11 VAL 44 1HG1 VAL 44 -2.735 -0.478 6.996 311 HG12 VAL 44 2HG1 VAL 44 -1.327 -0.063 7.975 312 HG13 VAL 44 3HG1 VAL 44 -2.604 1.126 7.717 313 HG21 VAL 44 1HG2 VAL 44 0.245 2.160 5.509 314 HG22 VAL 44 2HG2 VAL 44 -0.469 2.452 7.095 315 HG23 VAL 44 3HG2 VAL 44 0.617 1.083 6.855 316 H ASP 45 H ASP 45 -2.602 -0.109 3.313 317 HA ASP 45 HA ASP 45 -4.624 -1.816 4.323 318 HB2 ASP 45 1HB ASP 45 -4.150 -0.571 1.618 319 HB3 ASP 45 2HB ASP 45 -5.538 -1.605 1.943 320 H LEU 46 H LEU 46 -1.936 -2.296 2.129 321 HA LEU 46 HA LEU 46 -2.741 -4.781 1.064 322 HB2 LEU 46 1HB LEU 46 -1.017 -3.488 0.001 323 HB3 LEU 46 2HB LEU 46 -0.008 -3.572 1.443 324 HG LEU 46 HG LEU 46 0.072 -6.084 1.056 325 HD11 LEU 46 1HD1 LEU 46 -0.303 -5.880 -1.780 326 HD12 LEU 46 2HD1 LEU 46 -1.786 -5.433 -0.937 327 HD13 LEU 46 3HD1 LEU 46 -1.036 -7.000 -0.631 328 HD21 LEU 46 1HD2 LEU 46 1.696 -4.075 0.245 329 HD22 LEU 46 2HD2 LEU 46 1.357 -4.871 -1.292 330 HD23 LEU 46 3HD2 LEU 46 2.056 -5.789 0.042 331 H ILE 47 H ILE 47 -0.632 -3.960 3.804 332 HA ILE 47 HA ILE 47 0.092 -6.540 4.551 333 HB ILE 47 HB ILE 47 -0.378 -4.180 6.376 334 HG12 ILE 47 1HG1 ILE 47 2.316 -5.043 5.410 335 HG13 ILE 47 2HG1 ILE 47 1.296 -4.097 4.331 336 HG21 ILE 47 1HG2 ILE 47 1.452 -5.428 7.703 337 HG22 ILE 47 2HG2 ILE 47 -0.211 -6.005 7.799 338 HG23 ILE 47 3HG2 ILE 47 0.950 -6.834 6.763 339 HD11 ILE 47 1HD1 ILE 47 3.029 -2.990 6.001 340 HD12 ILE 47 2HD1 ILE 47 1.505 -2.214 5.567 341 HD13 ILE 47 3HD1 ILE 47 1.645 -3.092 7.090 342 H ASP 48 H ASP 48 -2.579 -4.561 5.842 343 HA ASP 48 HA ASP 48 -3.673 -6.382 7.594 344 HB2 ASP 48 1HB ASP 48 -5.518 -5.007 7.683 345 HB3 ASP 48 2HB ASP 48 -4.353 -3.911 6.946 346 H ALA 49 H ALA 49 -4.225 -6.097 4.110 347 HA ALA 49 HA ALA 49 -6.268 -7.955 3.818 348 HB1 ALA 49 1HB ALA 49 -4.069 -7.691 1.797 349 HB2 ALA 49 2HB ALA 49 -5.792 -7.962 1.535 350 HB3 ALA 49 3HB ALA 49 -5.221 -6.384 2.079 351 H ILE 50 H ILE 50 -2.773 -8.452 3.981 352 HA ILE 50 HA ILE 50 -2.941 -11.272 3.483 353 HB ILE 50 HB ILE 50 -0.661 -9.642 4.609 354 HG12 ILE 50 1HG1 ILE 50 -0.844 -10.742 1.818 355 HG13 ILE 50 2HG1 ILE 50 -1.580 -9.194 2.218 356 HG21 ILE 50 1HG2 ILE 50 -0.905 -12.311 4.829 357 HG22 ILE 50 2HG2 ILE 50 -0.160 -12.202 3.235 358 HG23 ILE 50 3HG2 ILE 50 0.642 -11.486 4.632 359 HD11 ILE 50 1HD1 ILE 50 0.704 -8.526 3.110 360 HD12 ILE 50 2HD1 ILE 50 1.315 -9.954 2.275 361 HD13 ILE 50 3HD1 ILE 50 0.525 -8.669 1.362 362 H GLN 51 H GLN 51 -2.113 -9.341 6.366 363 HA GLN 51 HA GLN 51 -3.159 -11.536 8.020 364 HB2 GLN 51 1HB GLN 51 -0.817 -11.773 8.243 365 HB3 GLN 51 2HB GLN 51 -0.570 -10.035 8.343 366 HG2 GLN 51 1HG GLN 51 -1.136 -9.935 10.543 367 HG3 GLN 51 2HG GLN 51 -2.225 -11.317 10.441 368 HE21 GLN 51 1HE2 GLN 51 1.227 -10.628 9.963 369 HE22 GLN 51 2HE2 GLN 51 1.796 -12.010 10.830 370 HA PRO 52 HA PRO 52 -5.288 -7.606 9.130 371 HB2 PRO 52 1HB PRO 52 -7.699 -8.782 9.543 372 HB3 PRO 52 2HB PRO 52 -7.145 -8.262 7.947 373 HG2 PRO 52 1HG PRO 52 -7.116 -10.997 9.164 374 HG3 PRO 52 2HG PRO 52 -7.562 -10.509 7.518 375 HD2 PRO 52 1HD PRO 52 -5.146 -11.575 8.117 376 HD3 PRO 52 2HD PRO 52 -5.367 -10.375 6.828 377 H GLY 53 H GLY 53 -6.514 -7.082 11.132 378 HA2 GLY 53 1HA GLY 53 -7.066 -7.429 13.384 379 HA3 GLY 53 2HA GLY 53 -6.263 -8.990 13.318 380 H CYS 54 H CYS 54 -3.924 -7.492 11.999 381 HA CYS 54 HA CYS 54 -2.657 -6.767 14.534 382 HB2 CYS 54 1HB CYS 54 -0.598 -7.266 13.551 383 HB3 CYS 54 2HB CYS 54 -1.678 -8.451 12.827 384 HG CYS 54 HG CYS 54 -1.683 -7.485 10.354 385 H ILE 55 H ILE 55 -3.718 -5.404 11.535 386 HA ILE 55 HA ILE 55 -2.184 -2.977 11.795 387 HB ILE 55 HB ILE 55 -4.456 -3.716 9.951 388 HG12 ILE 55 1HG1 ILE 55 -2.052 -4.748 9.800 389 HG13 ILE 55 2HG1 ILE 55 -2.855 -4.183 8.339 390 HG21 ILE 55 1HG2 ILE 55 -3.674 -1.655 8.686 391 HG22 ILE 55 2HG2 ILE 55 -4.605 -1.380 10.157 392 HG23 ILE 55 3HG2 ILE 55 -2.852 -1.187 10.174 393 HD11 ILE 55 1HD1 ILE 55 -0.770 -2.698 9.920 394 HD12 ILE 55 2HD1 ILE 55 -0.551 -3.481 8.355 395 HD13 ILE 55 3HD1 ILE 55 -1.606 -2.076 8.497 396 H ASN 56 H ASN 56 -2.894 -0.983 12.459 397 HA ASN 56 HA ASN 56 -5.611 -0.831 13.575 398 HB2 ASN 56 1HB ASN 56 -3.574 -1.137 15.234 399 HB3 ASN 56 2HB ASN 56 -3.375 0.591 14.957 400 HD21 ASN 56 1HD2 ASN 56 -3.816 0.279 17.392 401 HD22 ASN 56 2HD2 ASN 56 -5.462 0.487 17.873 402 H TYR 57 H TYR 57 -6.490 0.471 12.041 403 HA TYR 57 HA TYR 57 -5.223 2.577 10.715 404 HB2 TYR 57 1HB TYR 57 -8.123 1.980 11.267 405 HB3 TYR 57 2HB TYR 57 -7.630 3.396 10.346 406 HD1 TYR 57 2HD TYR 57 -5.716 2.692 8.489 407 HD2 TYR 57 1HD TYR 57 -8.838 0.216 9.981 408 HE1 TYR 57 2HE TYR 57 -5.602 1.327 6.446 409 HE2 TYR 57 1HE TYR 57 -8.732 -1.156 7.943 410 HH TYR 57 HH TYR 57 -7.988 -0.945 5.618 411 H ASP 58 H ASP 58 -6.967 2.488 13.765 412 HA ASP 58 HA ASP 58 -7.511 5.058 14.357 413 HB2 ASP 58 1HB ASP 58 -6.239 2.959 16.109 414 HB3 ASP 58 2HB ASP 58 -6.747 4.525 16.737 415 H LEU 59 H LEU 59 -4.298 3.619 14.269 416 HA LEU 59 HA LEU 59 -3.047 6.107 15.100 417 HB2 LEU 59 1HB LEU 59 -1.717 3.575 14.161 418 HB3 LEU 59 2HB LEU 59 -0.981 4.900 15.058 419 HG LEU 59 HG LEU 59 -3.142 3.118 16.173 420 HD11 LEU 59 1HD1 LEU 59 -1.575 1.714 17.075 421 HD12 LEU 59 2HD1 LEU 59 -0.290 2.919 17.002 422 HD13 LEU 59 3HD1 LEU 59 -0.811 2.096 15.532 423 HD21 LEU 59 1HD2 LEU 59 -1.674 4.144 18.242 424 HD22 LEU 59 2HD2 LEU 59 -3.221 4.774 17.675 425 HD23 LEU 59 3HD2 LEU 59 -1.714 5.491 17.104 426 H VAL 60 H VAL 60 -3.556 4.218 12.195 427 HA VAL 60 HA VAL 60 -1.735 5.641 10.541 428 HB VAL 60 HB VAL 60 -4.168 4.018 9.785 429 HG11 VAL 60 1HG1 VAL 60 -3.806 4.504 7.644 430 HG12 VAL 60 2HG1 VAL 60 -2.715 5.778 8.193 431 HG13 VAL 60 3HG1 VAL 60 -2.079 4.181 7.796 432 HG21 VAL 60 1HG2 VAL 60 -2.899 2.320 10.495 433 HG22 VAL 60 2HG2 VAL 60 -1.925 2.611 9.054 434 HG23 VAL 60 3HG2 VAL 60 -1.454 3.326 10.596 435 H LYS 61 H LYS 61 -1.916 7.595 9.673 436 HA LYS 61 HA LYS 61 -4.347 9.115 10.025 437 HB2 LYS 61 1HB LYS 61 -1.552 9.705 9.180 438 HB3 LYS 61 2HB LYS 61 -2.814 10.816 8.664 439 HG2 LYS 61 1HG LYS 61 -2.703 10.038 11.530 440 HG3 LYS 61 2HG LYS 61 -1.501 11.174 10.912 441 HD2 LYS 61 1HD LYS 61 -4.380 11.624 10.275 442 HD3 LYS 61 2HD LYS 61 -3.789 12.025 11.889 443 HE2 LYS 61 1HE LYS 61 -2.470 13.008 9.369 444 HE3 LYS 61 2HE LYS 61 -3.758 13.895 10.182 445 HZ1 LYS 61 1HZ LYS 61 -2.425 14.170 12.093 446 HZ2 LYS 61 2HZ LYS 61 -1.437 14.568 10.779 447 HZ3 LYS 61 3HZ LYS 61 -1.260 13.071 11.547 448 H SER 62 H SER 62 -4.996 10.574 8.100 449 HA SER 62 HA SER 62 -4.665 9.584 5.461 450 HB2 SER 62 1HB SER 62 -7.029 8.825 5.125 451 HB3 SER 62 2HB SER 62 -6.089 7.769 6.179 452 HG SER 62 HG SER 62 -8.209 8.282 6.986 453 H GLY 63 H GLY 63 -6.029 10.747 3.891 454 HA2 GLY 63 1HA GLY 63 -7.536 12.528 3.368 455 HA3 GLY 63 2HA GLY 63 -7.266 13.183 4.976 456 H ASN 64 H ASN 64 -5.573 14.568 5.337 457 HA ASN 64 HA ASN 64 -3.962 15.281 2.974 458 HB2 ASN 64 1HB ASN 64 -5.044 17.136 5.108 459 HB3 ASN 64 2HB ASN 64 -3.991 17.616 3.781 460 HD21 ASN 64 1HD2 ASN 64 -4.853 18.049 1.838 461 HD22 ASN 64 2HD2 ASN 64 -6.533 17.915 1.459 462 H LEU 65 H LEU 65 -2.251 13.943 3.652 463 HA LEU 65 HA LEU 65 -1.031 14.423 6.241 464 HB2 LEU 65 1HB LEU 65 0.214 12.744 4.112 465 HB3 LEU 65 2HB LEU 65 0.258 12.545 5.863 466 HG LEU 65 HG LEU 65 -2.245 12.097 4.256 467 HD11 LEU 65 1HD1 LEU 65 -0.176 10.661 3.614 468 HD12 LEU 65 2HD1 LEU 65 -1.728 9.877 3.909 469 HD13 LEU 65 3HD1 LEU 65 -0.481 9.861 5.157 470 HD21 LEU 65 1HD2 LEU 65 -2.726 10.626 6.253 471 HD22 LEU 65 2HD2 LEU 65 -2.708 12.363 6.559 472 HD23 LEU 65 3HD2 LEU 65 -1.327 11.370 7.027 473 H THR 66 H THR 66 0.531 15.847 6.599 474 HA THR 66 HA THR 66 1.712 17.269 4.356 475 HB THR 66 HB THR 66 0.972 18.666 6.154 476 HG1 THR 66 1HG THR 66 3.734 18.648 6.661 477 HG21 THR 66 1HG2 THR 66 2.594 18.185 8.338 478 HG22 THR 66 2HG2 THR 66 2.136 16.568 7.804 479 HG23 THR 66 3HG2 THR 66 0.891 17.753 8.197 480 H GLU 67 H GLU 67 4.133 17.929 4.809 481 HA GLU 67 HA GLU 67 5.809 15.939 4.152 482 HB2 GLU 67 1HB GLU 67 7.648 17.247 4.942 483 HB3 GLU 67 2HB GLU 67 6.407 18.362 4.387 484 HG2 GLU 67 1HG GLU 67 5.825 18.982 6.563 485 HG3 GLU 67 2HG GLU 67 6.642 17.591 7.272 486 H ASP 68 H ASP 68 4.554 16.548 7.352 487 HA ASP 68 HA ASP 68 6.307 14.621 8.612 488 HB2 ASP 68 1HB ASP 68 5.540 16.644 9.821 489 HB3 ASP 68 2HB ASP 68 3.884 16.047 9.731 490 H ASP 69 H ASP 69 2.758 14.856 8.728 491 HA ASP 69 HA ASP 69 2.042 12.397 9.465 492 HB2 ASP 69 1HB ASP 69 0.819 13.970 7.190 493 HB3 ASP 69 2HB ASP 69 0.057 12.570 7.940 494 H LYS 70 H LYS 70 2.799 13.206 6.079 495 HA LYS 70 HA LYS 70 2.444 10.799 4.858 496 HB2 LYS 70 1HB LYS 70 4.448 12.983 4.449 497 HB3 LYS 70 2HB LYS 70 4.596 11.502 3.512 498 HG2 LYS 70 1HG LYS 70 2.247 11.832 2.750 499 HG3 LYS 70 2HG LYS 70 2.262 13.400 3.560 500 HD2 LYS 70 1HD LYS 70 4.084 14.148 2.152 501 HD3 LYS 70 2HD LYS 70 4.191 12.556 1.397 502 HE2 LYS 70 1HE LYS 70 1.928 12.829 0.508 503 HE3 LYS 70 2HE LYS 70 1.817 14.416 1.269 504 HZ1 LYS 70 1HZ LYS 70 2.553 15.133 -0.703 505 HZ2 LYS 70 2HZ LYS 70 3.171 13.625 -1.157 506 HZ3 LYS 70 3HZ LYS 70 4.077 14.644 -0.155 507 H HIS 71 H HIS 71 5.396 11.827 6.561 508 HA HIS 71 HA HIS 71 6.831 9.441 6.184 509 HB2 HIS 71 1HB HIS 71 7.038 11.774 8.022 510 HB3 HIS 71 2HB HIS 71 7.932 10.319 8.451 511 HD1 HIS 71 1HD HIS 71 10.116 9.957 7.293 512 HD2 HIS 71 2HD HIS 71 7.793 12.850 5.422 513 HE1 HIS 71 1HE HIS 71 11.591 10.962 5.522 514 HE2 HIS 71 2HE HIS 71 10.193 12.768 4.460 515 H ASN 72 H ASN 72 4.787 10.525 8.880 516 HA ASN 72 HA ASN 72 5.156 8.366 10.586 517 HB2 ASN 72 1HB ASN 72 2.933 10.324 10.166 518 HB3 ASN 72 2HB ASN 72 2.670 8.955 11.242 519 HD21 ASN 72 1HD2 ASN 72 4.229 11.978 10.795 520 HD22 ASN 72 2HD2 ASN 72 4.930 12.099 12.370 521 H ASN 73 H ASN 73 2.591 8.813 8.151 522 HA ASN 73 HA ASN 73 1.264 6.416 8.470 523 HB2 ASN 73 1HB ASN 73 1.762 8.000 5.943 524 HB3 ASN 73 2HB ASN 73 0.621 6.664 6.054 525 HD21 ASN 73 1HD2 ASN 73 -1.352 7.452 6.069 526 HD22 ASN 73 2HD2 ASN 73 -1.903 8.800 6.997 527 H ALA 74 H ALA 74 4.137 7.099 6.517 528 HA ALA 74 HA ALA 74 4.340 4.504 5.385 529 HB1 ALA 74 1HB ALA 74 5.923 5.471 4.164 530 HB2 ALA 74 2HB ALA 74 5.654 6.953 5.082 531 HB3 ALA 74 3HB ALA 74 6.894 5.809 5.597 532 H LYS 75 H LYS 75 6.421 6.056 7.838 533 HA LYS 75 HA LYS 75 7.996 4.059 8.651 534 HB2 LYS 75 1HB LYS 75 6.545 6.143 10.235 535 HB3 LYS 75 2HB LYS 75 7.498 4.932 11.084 536 HG2 LYS 75 1HG LYS 75 9.388 5.623 9.465 537 HG3 LYS 75 2HG LYS 75 8.406 7.065 9.197 538 HD2 LYS 75 1HD LYS 75 9.158 6.129 11.954 539 HD3 LYS 75 2HD LYS 75 10.198 7.196 11.008 540 HE2 LYS 75 1HE LYS 75 8.086 8.654 10.748 541 HE3 LYS 75 2HE LYS 75 7.454 7.715 12.100 542 HZ1 LYS 75 1HZ LYS 75 9.606 8.355 13.265 543 HZ2 LYS 75 2HZ LYS 75 8.440 9.566 13.077 544 HZ3 LYS 75 3HZ LYS 75 9.788 9.525 12.056 545 H TYR 76 H TYR 76 4.613 4.412 9.671 546 HA TYR 76 HA TYR 76 4.515 2.178 11.361 547 HB2 TYR 76 1HB TYR 76 2.795 4.076 11.047 548 HB3 TYR 76 2HB TYR 76 2.164 3.100 9.725 549 HD1 TYR 76 1HD TYR 76 3.136 2.712 13.316 550 HD2 TYR 76 2HD TYR 76 0.440 1.644 10.202 551 HE1 TYR 76 1HE TYR 76 1.805 1.409 14.923 552 HE2 TYR 76 2HE TYR 76 -0.899 0.340 11.800 553 HH TYR 76 HH TYR 76 -1.282 0.377 14.343 554 H ALA 77 H ALA 77 3.450 2.477 7.971 555 HA ALA 77 HA ALA 77 2.652 -0.097 7.482 556 HB1 ALA 77 1HB ALA 77 2.285 0.980 5.565 557 HB2 ALA 77 2HB ALA 77 3.582 2.135 5.870 558 HB3 ALA 77 3HB ALA 77 3.948 0.571 5.143 559 H VAL 78 H VAL 78 5.956 1.170 7.448 560 HA VAL 78 HA VAL 78 7.287 -1.056 6.447 561 HB VAL 78 HB VAL 78 8.287 0.855 8.564 562 HG11 VAL 78 1HG1 VAL 78 10.011 -0.575 8.625 563 HG12 VAL 78 2HG1 VAL 78 9.512 -1.390 7.141 564 HG13 VAL 78 3HG1 VAL 78 10.439 0.109 7.057 565 HG21 VAL 78 1HG2 VAL 78 8.920 1.063 5.652 566 HG22 VAL 78 2HG2 VAL 78 7.409 1.729 6.270 567 HG23 VAL 78 3HG2 VAL 78 8.951 2.311 6.898 568 H SER 79 H SER 79 7.331 -0.183 9.898 569 HA SER 79 HA SER 79 8.265 -2.421 11.025 570 HB2 SER 79 1HB SER 79 5.813 -0.990 12.076 571 HB3 SER 79 2HB SER 79 6.958 -1.944 13.019 572 HG SER 79 HG SER 79 7.422 0.519 11.697 573 H MET 80 H MET 80 4.868 -1.993 10.068 574 HA MET 80 HA MET 80 3.964 -4.523 10.872 575 HB2 MET 80 1HB MET 80 2.930 -2.815 8.602 576 HB3 MET 80 2HB MET 80 2.058 -4.122 9.392 577 HG2 MET 80 1HG MET 80 2.859 -1.475 10.565 578 HG3 MET 80 2HG MET 80 1.231 -2.072 10.251 579 HE1 MET 80 1HE MET 80 1.036 -5.056 12.787 580 HE2 MET 80 2HE MET 80 -0.060 -3.877 12.066 581 HE3 MET 80 3HE MET 80 1.054 -4.786 11.044 582 H ALA 81 H ALA 81 4.915 -3.399 7.623 583 HA ALA 81 HA ALA 81 4.609 -5.663 6.155 584 HB1 ALA 81 1HB ALA 81 6.920 -4.826 5.090 585 HB2 ALA 81 2HB ALA 81 5.380 -4.007 4.823 586 HB3 ALA 81 3HB ALA 81 6.503 -3.399 6.040 587 H ARG 82 H ARG 82 7.644 -4.835 7.847 588 HA ARG 82 HA ARG 82 8.809 -7.387 7.426 589 HB2 ARG 82 1HB ARG 82 10.393 -6.579 9.285 590 HB3 ARG 82 2HB ARG 82 10.345 -5.659 7.787 591 HG2 ARG 82 1HG ARG 82 9.082 -3.929 8.774 592 HG3 ARG 82 2HG ARG 82 8.724 -4.906 10.199 593 HD2 ARG 82 1HD ARG 82 10.795 -4.579 11.113 594 HD3 ARG 82 2HD ARG 82 11.573 -4.376 9.544 595 HE ARG 82 HE ARG 82 9.841 -2.216 9.973 596 HH11 ARG 82 2HH1 ARG 82 12.815 -3.536 11.213 597 HH12 ARG 82 1HH1 ARG 82 13.442 -1.999 11.709 598 HH21 ARG 82 2HH2 ARG 82 10.656 -0.187 10.622 599 HH22 ARG 82 1HH2 ARG 82 12.213 -0.095 11.373 600 H ARG 83 H ARG 83 6.924 -5.971 10.032 601 HA ARG 83 HA ARG 83 7.372 -7.823 12.048 602 HB2 ARG 83 1HB ARG 83 6.127 -5.800 12.472 603 HB3 ARG 83 2HB ARG 83 4.860 -6.295 11.357 604 HG2 ARG 83 1HG ARG 83 4.272 -8.145 12.833 605 HG3 ARG 83 2HG ARG 83 5.553 -7.664 13.948 606 HD2 ARG 83 1HD ARG 83 4.455 -5.647 14.494 607 HD3 ARG 83 2HD ARG 83 3.340 -5.799 13.136 608 HE ARG 83 HE ARG 83 2.007 -7.129 14.432 609 HH11 ARG 83 2HH1 ARG 83 5.166 -6.938 15.882 610 HH12 ARG 83 1HH1 ARG 83 4.697 -7.770 17.327 611 HH21 ARG 83 2HH2 ARG 83 1.377 -8.227 16.329 612 HH22 ARG 83 1HH2 ARG 83 2.541 -8.504 17.580 613 H ILE 84 H ILE 84 4.868 -7.886 9.517 614 HA ILE 84 HA ILE 84 3.786 -10.387 10.289 615 HB ILE 84 HB ILE 84 2.719 -10.391 8.048 616 HG12 ILE 84 1HG1 ILE 84 4.169 -7.766 7.651 617 HG13 ILE 84 2HG1 ILE 84 4.625 -9.277 6.871 618 HG21 ILE 84 1HG2 ILE 84 2.241 -8.728 10.199 619 HG22 ILE 84 2HG2 ILE 84 2.182 -7.642 8.811 620 HG23 ILE 84 3HG2 ILE 84 1.132 -9.057 8.868 621 HD11 ILE 84 1HD1 ILE 84 2.765 -7.354 6.003 622 HD12 ILE 84 2HD1 ILE 84 3.176 -8.896 5.251 623 HD13 ILE 84 3HD1 ILE 84 1.855 -8.807 6.416 624 H GLY 85 H GLY 85 6.544 -9.482 8.413 625 HA2 GLY 85 1HA GLY 85 8.168 -11.425 8.314 626 HA3 GLY 85 2HA GLY 85 6.856 -12.276 7.512 627 H ALA 86 H ALA 86 9.046 -9.518 7.236 628 HA ALA 86 HA ALA 86 9.158 -9.949 4.356 629 HB1 ALA 86 1HB ALA 86 8.542 -7.802 3.704 630 HB2 ALA 86 2HB ALA 86 7.360 -8.206 4.950 631 HB3 ALA 86 3HB ALA 86 8.720 -7.150 5.333 632 H ARG 87 H ARG 87 11.273 -10.344 4.153 633 HA ARG 87 HA ARG 87 13.223 -8.917 5.754 634 HB2 ARG 87 1HB ARG 87 13.339 -11.396 5.162 635 HB3 ARG 87 2HB ARG 87 13.797 -10.883 3.543 636 HG2 ARG 87 1HG ARG 87 15.770 -9.792 4.400 637 HG3 ARG 87 2HG ARG 87 15.290 -10.167 6.057 638 HD2 ARG 87 1HD ARG 87 15.547 -12.405 4.114 639 HD3 ARG 87 2HD ARG 87 17.021 -11.667 4.739 640 HE ARG 87 HE ARG 87 15.282 -13.428 6.130 641 HH11 ARG 87 2HH1 ARG 87 17.340 -10.653 6.563 642 HH12 ARG 87 1HH1 ARG 87 17.664 -10.990 8.231 643 HH21 ARG 87 2HH2 ARG 87 15.701 -13.882 8.326 644 HH22 ARG 87 1HH2 ARG 87 16.732 -12.828 9.233 645 H VAL 88 H VAL 88 11.973 -7.061 4.290 646 HA VAL 88 HA VAL 88 13.718 -6.515 1.985 647 HB VAL 88 HB VAL 88 11.181 -6.525 1.705 648 HG11 VAL 88 1HG1 VAL 88 11.196 -3.744 2.760 649 HG12 VAL 88 2HG1 VAL 88 9.863 -4.891 2.610 650 HG13 VAL 88 3HG1 VAL 88 11.045 -5.076 3.906 651 HG21 VAL 88 1HG2 VAL 88 11.380 -4.164 0.486 652 HG22 VAL 88 2HG2 VAL 88 13.090 -4.434 0.824 653 HG23 VAL 88 3HG2 VAL 88 12.180 -5.612 -0.123 654 H TYR 89 H TYR 89 12.799 -5.415 5.135 655 HA TYR 89 HA TYR 89 13.267 -3.471 6.295 656 HB2 TYR 89 1HB TYR 89 15.838 -3.133 6.301 657 HB3 TYR 89 2HB TYR 89 15.185 -4.653 6.901 658 HD1 TYR 89 2HD TYR 89 15.459 -6.715 5.625 659 HD2 TYR 89 1HD TYR 89 17.095 -3.042 4.233 660 HE1 TYR 89 2HE TYR 89 16.864 -7.952 4.030 661 HE2 TYR 89 1HE TYR 89 18.504 -4.269 2.634 662 HH TYR 89 HH TYR 89 18.316 -6.625 1.446 663 H ALA 90 H ALA 90 12.166 -2.641 3.978 664 HA ALA 90 HA ALA 90 13.874 -0.833 2.542 665 HB1 ALA 90 1HB ALA 90 11.965 -0.268 1.265 666 HB2 ALA 90 2HB ALA 90 11.843 -1.996 1.597 667 HB3 ALA 90 3HB ALA 90 10.866 -0.852 2.516 668 H LEU 91 H LEU 91 14.523 1.070 3.280 669 HA LEU 91 HA LEU 91 13.859 2.286 5.626 670 HB2 LEU 91 1HB LEU 91 14.476 3.880 3.156 671 HB3 LEU 91 2HB LEU 91 14.888 4.255 4.828 672 HG LEU 91 HG LEU 91 16.117 2.101 3.111 673 HD11 LEU 91 1HD1 LEU 91 17.086 4.080 2.413 674 HD12 LEU 91 2HD1 LEU 91 18.178 3.556 3.694 675 HD13 LEU 91 3HD1 LEU 91 16.986 4.816 4.012 676 HD21 LEU 91 1HD2 LEU 91 17.515 2.639 5.552 677 HD22 LEU 91 2HD2 LEU 91 16.872 1.112 4.948 678 HD23 LEU 91 3HD2 LEU 91 15.849 2.183 5.907 679 HA PRO 92 HA PRO 92 9.778 3.883 5.232 680 HB2 PRO 92 1HB PRO 92 9.907 5.881 7.067 681 HB3 PRO 92 2HB PRO 92 9.830 4.172 7.511 682 HG2 PRO 92 1HG PRO 92 12.208 5.984 7.360 683 HG3 PRO 92 2HG PRO 92 11.792 4.786 8.599 684 HD2 PRO 92 1HD PRO 92 13.603 4.295 6.646 685 HD3 PRO 92 2HD PRO 92 12.573 3.023 7.335 686 H GLU 93 H GLU 93 12.557 5.616 4.362 687 HA GLU 93 HA GLU 93 11.200 8.065 3.638 688 HB2 GLU 93 1HB GLU 93 14.017 7.077 3.192 689 HB3 GLU 93 2HB GLU 93 13.436 8.629 2.606 690 HG2 GLU 93 1HG GLU 93 12.751 8.977 5.105 691 HG3 GLU 93 2HG GLU 93 13.966 7.733 5.393 692 H ASP 94 H ASP 94 12.066 5.062 2.149 693 HA ASP 94 HA ASP 94 12.073 5.800 -0.548 694 HB2 ASP 94 1HB ASP 94 12.079 3.547 -1.018 695 HB3 ASP 94 2HB ASP 94 12.586 3.507 0.668 696 H LEU 95 H LEU 95 9.411 4.959 1.611 697 HA LEU 95 HA LEU 95 7.398 4.942 -0.389 698 HB2 LEU 95 1HB LEU 95 7.292 5.266 2.600 699 HB3 LEU 95 2HB LEU 95 5.850 5.213 1.587 700 HG LEU 95 HG LEU 95 7.873 2.992 1.879 701 HD11 LEU 95 1HD1 LEU 95 5.108 3.348 3.020 702 HD12 LEU 95 2HD1 LEU 95 6.624 3.232 3.912 703 HD13 LEU 95 3HD1 LEU 95 6.010 1.832 3.034 704 HD21 LEU 95 1HD2 LEU 95 6.137 1.671 0.678 705 HD22 LEU 95 2HD2 LEU 95 6.894 2.923 -0.306 706 HD23 LEU 95 3HD2 LEU 95 5.279 3.178 0.356 707 H VAL 96 H VAL 96 8.311 7.373 2.050 708 HA VAL 96 HA VAL 96 6.504 9.355 1.430 709 HB VAL 96 HB VAL 96 9.370 9.592 2.334 710 HG11 VAL 96 1HG1 VAL 96 8.278 11.932 3.094 711 HG12 VAL 96 2HG1 VAL 96 9.202 11.723 1.605 712 HG13 VAL 96 3HG1 VAL 96 7.439 11.682 1.564 713 HG21 VAL 96 1HG2 VAL 96 8.217 10.221 4.485 714 HG22 VAL 96 2HG2 VAL 96 6.707 9.701 3.735 715 HG23 VAL 96 3HG2 VAL 96 8.016 8.544 3.977 716 H GLU 97 H GLU 97 9.792 9.022 0.082 717 HA GLU 97 HA GLU 97 9.300 11.047 -1.901 718 HB2 GLU 97 1HB GLU 97 11.601 9.100 -1.671 719 HB3 GLU 97 2HB GLU 97 11.552 10.529 -2.694 720 HG2 GLU 97 1HG GLU 97 11.146 10.839 0.237 721 HG3 GLU 97 2HG GLU 97 12.773 10.565 -0.383 722 H VAL 98 H VAL 98 8.481 7.825 -1.637 723 HA VAL 98 HA VAL 98 7.744 6.229 -3.088 724 HB VAL 98 HB VAL 98 7.269 8.501 -5.013 725 HG11 VAL 98 1HG1 VAL 98 6.259 6.964 -6.254 726 HG12 VAL 98 2HG1 VAL 98 6.721 5.723 -5.087 727 HG13 VAL 98 3HG1 VAL 98 5.183 6.569 -4.913 728 HG21 VAL 98 1HG2 VAL 98 5.139 7.637 -3.141 729 HG22 VAL 98 2HG2 VAL 98 6.421 8.660 -2.493 730 HG23 VAL 98 3HG2 VAL 98 5.449 9.221 -3.853 731 H LYS 99 H LYS 99 10.429 6.307 -3.093 732 HA LYS 99 HA LYS 99 11.589 6.708 -5.661 733 HB2 LYS 99 1HB LYS 99 12.625 5.007 -3.387 734 HB3 LYS 99 2HB LYS 99 13.562 5.638 -4.735 735 HG2 LYS 99 1HG LYS 99 13.054 7.935 -3.938 736 HG3 LYS 99 2HG LYS 99 12.274 7.223 -2.524 737 HD2 LYS 99 1HD LYS 99 14.426 6.067 -2.011 738 HD3 LYS 99 2HD LYS 99 15.170 6.971 -3.332 739 HE2 LYS 99 1HE LYS 99 14.135 9.027 -2.045 740 HE3 LYS 99 2HE LYS 99 14.204 7.917 -0.677 741 HZ1 LYS 99 1HZ LYS 99 16.213 9.455 -1.244 742 HZ2 LYS 99 2HZ LYS 99 16.588 8.238 -2.357 743 HZ3 LYS 99 3HZ LYS 99 16.474 7.872 -0.709 744 HA PRO 100 HA PRO 100 10.030 2.967 -7.505 745 HB2 PRO 100 1HB PRO 100 11.334 3.255 -9.869 746 HB3 PRO 100 2HB PRO 100 9.883 4.175 -9.454 747 HG2 PRO 100 1HG PRO 100 12.756 5.004 -9.312 748 HG3 PRO 100 2HG PRO 100 11.355 5.919 -9.899 749 HD2 PRO 100 1HD PRO 100 12.417 6.299 -7.437 750 HD3 PRO 100 2HD PRO 100 10.685 6.499 -7.771 751 H LYS 101 H LYS 101 13.049 3.568 -6.314 752 HA LYS 101 HA LYS 101 14.400 1.295 -7.507 753 HB2 LYS 101 1HB LYS 101 15.204 3.292 -5.392 754 HB3 LYS 101 2HB LYS 101 16.219 1.933 -5.856 755 HG2 LYS 101 1HG LYS 101 15.910 2.886 -8.262 756 HG3 LYS 101 2HG LYS 101 15.496 4.373 -7.406 757 HD2 LYS 101 1HD LYS 101 17.611 4.625 -6.543 758 HD3 LYS 101 2HD LYS 101 17.959 2.896 -6.608 759 HE2 LYS 101 1HE LYS 101 17.617 4.539 -9.098 760 HE3 LYS 101 2HE LYS 101 19.169 4.424 -8.270 761 HZ1 LYS 101 1HZ LYS 101 18.197 2.680 -10.135 762 HZ2 LYS 101 2HZ LYS 101 17.976 1.862 -8.672 763 HZ3 LYS 101 3HZ LYS 101 19.515 2.411 -9.109 764 H MET 102 H MET 102 13.234 2.241 -4.282 765 HA MET 102 HA MET 102 13.560 -0.531 -3.388 766 HB2 MET 102 1HB MET 102 13.188 2.073 -1.927 767 HB3 MET 102 2HB MET 102 12.966 0.528 -1.119 768 HG2 MET 102 1HG MET 102 15.488 1.269 -2.569 769 HG3 MET 102 2HG MET 102 15.222 1.602 -0.859 770 HE1 MET 102 1HE MET 102 14.583 0.108 0.756 771 HE2 MET 102 2HE MET 102 14.421 -1.644 0.634 772 HE3 MET 102 3HE MET 102 15.978 -0.930 1.053 773 H VAL 103 H VAL 103 11.141 2.047 -3.609 774 HA VAL 103 HA VAL 103 8.968 0.862 -2.431 775 HB VAL 103 HB VAL 103 8.954 2.512 -4.962 776 HG11 VAL 103 1HG1 VAL 103 6.805 1.774 -4.966 777 HG12 VAL 103 2HG1 VAL 103 6.797 1.444 -3.233 778 HG13 VAL 103 3HG1 VAL 103 6.622 3.099 -3.817 779 HG21 VAL 103 1HG2 VAL 103 8.367 3.528 -2.208 780 HG22 VAL 103 2HG2 VAL 103 10.029 3.414 -2.787 781 HG23 VAL 103 3HG2 VAL 103 8.864 4.422 -3.645 782 H MET 104 H MET 104 10.533 -0.025 -5.383 783 HA MET 104 HA MET 104 8.363 -1.500 -6.508 784 HB2 MET 104 1HB MET 104 9.959 -2.308 -8.110 785 HB3 MET 104 2HB MET 104 10.291 -0.605 -7.820 786 HG2 MET 104 1HG MET 104 12.115 -1.230 -6.308 787 HG3 MET 104 2HG MET 104 11.793 -2.930 -6.640 788 HE1 MET 104 1HE MET 104 12.525 -3.751 -9.888 789 HE2 MET 104 2HE MET 104 14.000 -3.884 -8.930 790 HE3 MET 104 3HE MET 104 12.431 -4.178 -8.179 791 H THR 105 H THR 105 11.287 -2.417 -4.705 792 HA THR 105 HA THR 105 10.600 -5.194 -4.634 793 HB THR 105 HB THR 105 12.915 -4.729 -4.493 794 HG1 THR 105 1HG THR 105 13.439 -5.781 -2.576 795 HG21 THR 105 1HG2 THR 105 13.816 -3.391 -2.520 796 HG22 THR 105 2HG2 THR 105 12.160 -2.829 -2.284 797 HG23 THR 105 3HG2 THR 105 13.005 -2.477 -3.791 798 H VAL 106 H VAL 106 9.838 -2.434 -2.711 799 HA VAL 106 HA VAL 106 9.274 -3.715 -0.258 800 HB VAL 106 HB VAL 106 8.208 -1.154 -1.445 801 HG11 VAL 106 1HG1 VAL 106 7.777 -0.851 1.188 802 HG12 VAL 106 2HG1 VAL 106 6.549 -1.440 0.065 803 HG13 VAL 106 3HG1 VAL 106 7.481 -2.582 1.034 804 HG21 VAL 106 1HG2 VAL 106 10.596 -1.914 0.036 805 HG22 VAL 106 2HG2 VAL 106 10.261 -0.457 -0.900 806 HG23 VAL 106 3HG2 VAL 106 9.726 -0.571 0.777 807 H PHE 107 H PHE 107 7.473 -3.363 -3.220 808 HA PHE 107 HA PHE 107 4.998 -4.284 -2.010 809 HB2 PHE 107 1HB PHE 107 5.792 -3.345 -4.746 810 HB3 PHE 107 2HB PHE 107 4.289 -4.235 -4.524 811 HD1 PHE 107 1HD PHE 107 2.874 -3.324 -2.416 812 HD2 PHE 107 2HD PHE 107 5.632 -1.066 -4.742 813 HE1 PHE 107 1HE PHE 107 1.743 -1.247 -1.736 814 HE2 PHE 107 2HE PHE 107 4.506 1.014 -4.065 815 HZ PHE 107 HZ PHE 107 2.559 0.925 -2.559 816 H ALA 108 H ALA 108 7.583 -5.498 -4.043 817 HA ALA 108 HA ALA 108 6.303 -7.934 -4.768 818 HB1 ALA 108 1HB ALA 108 8.788 -8.608 -5.193 819 HB2 ALA 108 2HB ALA 108 8.012 -7.396 -6.213 820 HB3 ALA 108 3HB ALA 108 9.096 -6.893 -4.916 821 H CYS 109 H CYS 109 8.813 -7.158 -2.361 822 HA CYS 109 HA CYS 109 9.246 -9.642 -1.288 823 HB2 CYS 109 1HB CYS 109 9.865 -8.502 0.801 824 HB3 CYS 109 2HB CYS 109 10.505 -7.660 -0.605 825 HG CYS 109 HG CYS 109 7.713 -6.696 1.126 826 H LEU 110 H LEU 110 6.590 -7.423 -0.595 827 HA LEU 110 HA LEU 110 5.457 -8.815 1.557 828 HB2 LEU 110 1HB LEU 110 4.275 -6.990 -0.517 829 HB3 LEU 110 2HB LEU 110 3.317 -7.671 0.796 830 HG LEU 110 HG LEU 110 5.794 -6.162 1.478 831 HD11 LEU 110 1HD1 LEU 110 3.343 -4.551 1.282 832 HD12 LEU 110 2HD1 LEU 110 4.086 -4.989 -0.256 833 HD13 LEU 110 3HD1 LEU 110 5.022 -4.117 0.958 834 HD21 LEU 110 1HD2 LEU 110 4.867 -6.880 3.418 835 HD22 LEU 110 2HD2 LEU 110 3.238 -6.954 2.744 836 HD23 LEU 110 3HD2 LEU 110 3.925 -5.402 3.226 837 H MET 111 H MET 111 4.674 -8.957 -1.915 838 HA MET 111 HA MET 111 2.642 -10.818 -1.846 839 HB2 MET 111 1HB MET 111 3.191 -9.710 -3.900 840 HB3 MET 111 2HB MET 111 4.808 -10.401 -3.907 841 HG2 MET 111 1HG MET 111 3.472 -12.668 -3.937 842 HG3 MET 111 2HG MET 111 2.207 -11.644 -4.613 843 HE1 MET 111 1HE MET 111 4.611 -9.578 -6.546 844 HE2 MET 111 2HE MET 111 3.548 -10.253 -7.781 845 HE3 MET 111 3HE MET 111 2.890 -9.780 -6.213 846 H GLY 112 H GLY 112 6.133 -11.467 -2.174 847 HA2 GLY 112 1HA GLY 112 6.323 -14.114 -2.445 848 HA3 GLY 112 2HA GLY 112 7.326 -13.259 -1.284 849 H ARG 113 H ARG 113 6.480 -13.030 0.918 850 HA ARG 113 HA ARG 113 5.700 -15.463 2.012 851 HB2 ARG 113 1HB ARG 113 5.852 -12.663 3.012 852 HB3 ARG 113 2HB ARG 113 4.958 -13.827 3.981 853 HG2 ARG 113 1HG ARG 113 7.266 -13.636 4.725 854 HG3 ARG 113 2HG ARG 113 6.925 -15.254 4.109 855 HD2 ARG 113 1HD ARG 113 9.043 -14.622 3.246 856 HD3 ARG 113 2HD ARG 113 7.893 -14.509 1.913 857 HE ARG 113 HE ARG 113 8.090 -12.003 3.155 858 HH11 ARG 113 2HH1 ARG 113 9.989 -14.180 1.213 859 HH12 ARG 113 1HH1 ARG 113 10.926 -12.919 0.483 860 HH21 ARG 113 2HH2 ARG 113 9.318 -10.334 2.201 861 HH22 ARG 113 1HH2 ARG 113 10.544 -10.732 1.047 862 H GLY 114 H GLY 114 3.740 -12.587 1.297 863 HA2 GLY 114 1HA GLY 114 1.316 -13.327 2.355 864 HA3 GLY 114 2HA GLY 114 1.486 -12.393 0.876 865 H MET 115 H MET 115 1.455 -13.475 -1.142 866 HA MET 115 HA MET 115 -0.450 -15.432 -1.452 867 HB2 MET 115 1HB MET 115 0.242 -15.622 -3.714 868 HB3 MET 115 2HB MET 115 0.564 -13.959 -3.243 869 HG2 MET 115 1HG MET 115 2.512 -14.419 -4.298 870 HG3 MET 115 2HG MET 115 2.941 -14.958 -2.676 871 HE1 MET 115 1HE MET 115 2.336 -17.017 -6.517 872 HE2 MET 115 2HE MET 115 0.908 -17.515 -5.609 873 HE3 MET 115 3HE MET 115 1.263 -15.800 -5.824 874 H LYS 116 H LYS 116 -0.534 -17.521 -0.980 875 HA LYS 116 HA LYS 116 1.238 -19.030 0.351 876 HB2 LYS 116 1HB LYS 116 -1.140 -19.594 -0.625 877 HB3 LYS 116 2HB LYS 116 -0.209 -20.380 -1.894 878 HG2 LYS 116 1HG LYS 116 -0.557 -22.117 -0.441 879 HG3 LYS 116 2HG LYS 116 1.016 -21.526 0.100 880 HD2 LYS 116 1HD LYS 116 -0.187 -20.145 1.808 881 HD3 LYS 116 2HD LYS 116 -1.676 -20.969 1.338 882 HE2 LYS 116 1HE LYS 116 0.700 -22.612 2.062 883 HE3 LYS 116 2HE LYS 116 -0.205 -21.824 3.354 884 HZ1 LYS 116 1HZ LYS 116 -1.965 -23.097 1.533 885 HZ2 LYS 116 2HZ LYS 116 -1.788 -23.347 3.196 886 HZ3 LYS 116 3HZ LYS 116 -0.820 -24.204 2.105 887 H ARG 117 H ARG 117 3.096 -20.123 0.020 888 HA ARG 117 HA ARG 117 4.913 -19.472 -1.885 889 HB2 ARG 117 1HB ARG 117 5.207 -20.942 0.195 890 HB3 ARG 117 2HB ARG 117 4.742 -22.289 -0.835 891 HG2 ARG 117 1HG ARG 117 6.639 -21.983 -2.233 892 HG3 ARG 117 2HG ARG 117 7.035 -20.448 -1.457 893 HD2 ARG 117 1HD ARG 117 7.704 -21.509 0.534 894 HD3 ARG 117 2HD ARG 117 6.943 -23.031 0.072 895 HE ARG 117 HE ARG 117 8.885 -22.485 -1.831 896 HH11 ARG 117 2HH1 ARG 117 8.720 -23.133 1.585 897 HH12 ARG 117 1HH1 ARG 117 10.288 -23.865 1.654 898 HH21 ARG 117 2HH2 ARG 117 10.952 -23.446 -1.753 899 HH22 ARG 117 1HH2 ARG 117 11.558 -24.042 -0.244 900 H VAL 118 H VAL 118 5.077 -19.713 -4.009 901 HA VAL 118 HA VAL 118 3.171 -20.951 -5.608 902 HB VAL 118 HB VAL 118 5.097 -20.928 -7.368 903 HG11 VAL 118 1HG1 VAL 118 4.631 -18.177 -6.430 904 HG12 VAL 118 2HG1 VAL 118 4.307 -18.914 -8.000 905 HG13 VAL 118 3HG1 VAL 118 3.184 -19.157 -6.662 906 HG21 VAL 118 1HG2 VAL 118 6.469 -18.839 -5.942 907 HG22 VAL 118 2HG2 VAL 118 6.563 -20.359 -5.052 908 HG23 VAL 118 3HG2 VAL 118 7.124 -20.279 -6.722 909 H SER 119 H SER 119 3.066 -22.894 -6.700 910 HA SER 119 HA SER 119 4.893 -24.988 -5.720 911 HB2 SER 119 1HB SER 119 2.515 -25.226 -5.006 912 HB3 SER 119 2HB SER 119 2.050 -25.333 -6.703 913 HG SER 119 HG SER 119 2.479 -27.372 -6.538 914 H GLY 120 H GLY 120 2.912 -24.052 -8.529 915 HA2 GLY 120 1HA GLY 120 4.294 -23.920 -10.641 916 HA3 GLY 120 2HA GLY 120 4.804 -25.551 -10.231 917 HA PRO 121 HA PRO 121 0.868 -25.460 -12.893 918 HB2 PRO 121 1HB PRO 121 1.970 -26.307 -15.225 919 HB3 PRO 121 2HB PRO 121 1.821 -24.598 -14.798 920 HG2 PRO 121 1HG PRO 121 4.199 -26.404 -14.583 921 HG3 PRO 121 2HG PRO 121 4.115 -24.727 -15.156 922 HD2 PRO 121 1HD PRO 121 4.959 -25.375 -12.666 923 HD3 PRO 121 2HD PRO 121 4.095 -23.865 -13.018 924 H SER 122 H SER 122 -0.322 -27.260 -12.802 925 HA SER 122 HA SER 122 1.017 -29.807 -12.332 926 HB2 SER 122 1HB SER 122 -1.005 -28.809 -10.985 927 HB3 SER 122 2HB SER 122 -1.962 -29.481 -12.304 928 HG SER 122 HG SER 122 -0.034 -31.119 -11.127 929 H SER 123 H SER 123 -1.586 -28.536 -14.406 930 HA SER 123 HA SER 123 -1.605 -30.881 -16.059 931 HB2 SER 123 1HB SER 123 -2.896 -28.172 -16.467 932 HB3 SER 123 2HB SER 123 -3.212 -29.605 -17.445 933 HG SER 123 HG SER 123 -3.729 -29.276 -14.674 934 H GLY 124 H GLY 124 -0.666 -31.210 -18.017 935 HA2 GLY 124 1HA GLY 124 0.200 -29.603 -19.957 936 HA3 GLY 124 2HA GLY 124 1.459 -29.361 -18.756 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.543 8.662 -17.880 2 HA2 GLY 1 1HA GLY 1 6.556 5.955 -17.327 3 HA3 GLY 1 2HA GLY 1 5.536 7.035 -18.265 4 H SER 2 H SER 2 7.439 4.506 -18.639 5 HA SER 2 HA SER 2 8.370 5.391 -21.288 6 HB2 SER 2 1HB SER 2 10.226 5.110 -19.549 7 HB3 SER 2 2HB SER 2 9.873 3.383 -19.609 8 HG SER 2 HG SER 2 11.132 3.364 -21.282 9 H SER 3 H SER 3 7.700 4.163 -22.925 10 HA SER 3 HA SER 3 5.814 2.150 -22.649 11 HB2 SER 3 1HB SER 3 6.115 3.368 -24.742 12 HB3 SER 3 2HB SER 3 7.709 2.646 -24.958 13 HG SER 3 HG SER 3 6.690 0.615 -25.121 14 H GLY 4 H GLY 4 9.312 1.858 -23.206 15 HA2 GLY 4 1HA GLY 4 9.190 -1.034 -23.045 16 HA3 GLY 4 2HA GLY 4 10.634 -0.059 -23.276 17 H SER 5 H SER 5 9.687 -2.295 -21.350 18 HA SER 5 HA SER 5 11.124 -1.256 -19.070 19 HB2 SER 5 1HB SER 5 8.239 -2.132 -18.787 20 HB3 SER 5 2HB SER 5 9.332 -1.786 -17.446 21 HG SER 5 HG SER 5 9.538 0.360 -18.410 22 H SER 6 H SER 6 12.499 -2.814 -18.569 23 HA SER 6 HA SER 6 11.841 -5.586 -19.208 24 HB2 SER 6 1HB SER 6 14.160 -6.047 -19.083 25 HB3 SER 6 2HB SER 6 14.051 -4.467 -19.859 26 HG SER 6 HG SER 6 14.413 -3.563 -17.735 27 H GLY 7 H GLY 7 12.164 -7.294 -17.681 28 HA2 GLY 7 1HA GLY 7 12.369 -8.200 -15.529 29 HA3 GLY 7 2HA GLY 7 12.428 -6.570 -14.873 30 H ASN 8 H ASN 8 10.950 -7.565 -13.269 31 HA ASN 8 HA ASN 8 8.189 -7.771 -14.255 32 HB2 ASN 8 1HB ASN 8 7.839 -8.693 -11.844 33 HB3 ASN 8 2HB ASN 8 8.612 -9.719 -13.049 34 HD21 ASN 8 1HD2 ASN 8 9.879 -10.942 -11.786 35 HD22 ASN 8 2HD2 ASN 8 11.134 -10.331 -10.768 36 H ASP 9 H ASP 9 7.125 -5.908 -14.149 37 HA ASP 9 HA ASP 9 7.392 -4.291 -11.702 38 HB2 ASP 9 1HB ASP 9 6.876 -3.103 -14.426 39 HB3 ASP 9 2HB ASP 9 7.327 -2.267 -12.942 40 H ASP 10 H ASP 10 5.336 -4.798 -14.569 41 HA ASP 10 HA ASP 10 2.993 -3.743 -13.391 42 HB2 ASP 10 1HB ASP 10 1.848 -5.059 -15.270 43 HB3 ASP 10 2HB ASP 10 3.010 -3.824 -15.745 44 H ILE 11 H ILE 11 4.219 -7.049 -13.728 45 HA ILE 11 HA ILE 11 2.084 -8.509 -12.814 46 HB ILE 11 HB ILE 11 5.035 -8.916 -12.403 47 HG12 ILE 11 1HG1 ILE 11 4.239 -10.981 -13.889 48 HG13 ILE 11 2HG1 ILE 11 2.936 -9.868 -14.293 49 HG21 ILE 11 1HG2 ILE 11 4.244 -10.052 -10.542 50 HG22 ILE 11 2HG2 ILE 11 2.754 -10.538 -11.348 51 HG23 ILE 11 3HG2 ILE 11 4.280 -11.309 -11.779 52 HD11 ILE 11 1HD1 ILE 11 5.439 -10.013 -15.470 53 HD12 ILE 11 2HD1 ILE 11 4.241 -8.735 -15.675 54 HD13 ILE 11 3HD1 ILE 11 5.505 -8.572 -14.457 55 H ILE 12 H ILE 12 4.558 -6.875 -10.861 56 HA ILE 12 HA ILE 12 3.637 -7.719 -8.347 57 HB ILE 12 HB ILE 12 5.084 -5.166 -9.061 58 HG12 ILE 12 1HG1 ILE 12 6.207 -7.748 -7.965 59 HG13 ILE 12 2HG1 ILE 12 6.201 -7.343 -9.678 60 HG21 ILE 12 1HG2 ILE 12 5.249 -4.646 -6.883 61 HG22 ILE 12 2HG2 ILE 12 3.828 -5.674 -6.711 62 HG23 ILE 12 3HG2 ILE 12 5.433 -6.330 -6.391 63 HD11 ILE 12 1HD1 ILE 12 7.327 -5.178 -8.195 64 HD12 ILE 12 2HD1 ILE 12 8.128 -6.686 -7.753 65 HD13 ILE 12 3HD1 ILE 12 8.064 -6.184 -9.442 66 H VAL 13 H VAL 13 2.991 -4.705 -10.131 67 HA VAL 13 HA VAL 13 1.288 -3.516 -8.274 68 HB VAL 13 HB VAL 13 1.181 -3.286 -11.285 69 HG11 VAL 13 1HG1 VAL 13 0.372 -0.999 -9.646 70 HG12 VAL 13 2HG1 VAL 13 -0.372 -1.678 -11.095 71 HG13 VAL 13 3HG1 VAL 13 -0.695 -2.397 -9.516 72 HG21 VAL 13 1HG2 VAL 13 2.348 -1.007 -10.323 73 HG22 VAL 13 2HG2 VAL 13 3.013 -2.245 -9.257 74 HG23 VAL 13 3HG2 VAL 13 3.214 -2.385 -11.004 75 H ASN 14 H ASN 14 0.495 -5.625 -11.026 76 HA ASN 14 HA ASN 14 -2.256 -5.606 -10.856 77 HB2 ASN 14 1HB ASN 14 -0.294 -7.714 -11.708 78 HB3 ASN 14 2HB ASN 14 -2.020 -8.062 -11.692 79 HD21 ASN 14 1HD2 ASN 14 -0.016 -7.782 -13.883 80 HD22 ASN 14 2HD2 ASN 14 -0.713 -6.638 -14.974 81 H TRP 15 H TRP 15 0.031 -7.649 -9.074 82 HA TRP 15 HA TRP 15 -1.902 -9.173 -7.701 83 HB2 TRP 15 1HB TRP 15 0.524 -9.758 -7.921 84 HB3 TRP 15 2HB TRP 15 0.887 -8.490 -6.752 85 HD1 TRP 15 HD TRP 15 -0.551 -12.010 -7.005 86 HE1 TRP 15 1HE TRP 15 -0.766 -12.992 -4.636 87 HE3 TRP 15 3HE TRP 15 0.520 -7.815 -4.286 88 HZ2 TRP 15 2HZ TRP 15 -0.517 -12.106 -1.967 89 HZ3 TRP 15 3HZ TRP 15 0.510 -7.967 -1.830 90 HH2 TRP 15 HH TRP 15 0.002 -10.069 -0.696 91 H VAL 16 H VAL 16 -0.113 -6.249 -6.765 92 HA VAL 16 HA VAL 16 -0.944 -5.906 -4.184 93 HB VAL 16 HB VAL 16 -0.668 -3.750 -6.283 94 HG11 VAL 16 1HG1 VAL 16 -1.642 -2.504 -4.671 95 HG12 VAL 16 2HG1 VAL 16 -1.252 -3.656 -3.392 96 HG13 VAL 16 3HG1 VAL 16 -0.022 -2.535 -3.975 97 HG21 VAL 16 1HG2 VAL 16 1.236 -5.444 -4.996 98 HG22 VAL 16 2HG2 VAL 16 1.511 -4.173 -6.187 99 HG23 VAL 16 3HG2 VAL 16 1.492 -3.781 -4.468 100 H ASN 17 H ASN 17 -2.647 -4.657 -7.060 101 HA ASN 17 HA ASN 17 -4.868 -3.629 -5.718 102 HB2 ASN 17 1HB ASN 17 -4.361 -4.532 -8.528 103 HB3 ASN 17 2HB ASN 17 -6.005 -4.133 -8.037 104 HD21 ASN 17 1HD2 ASN 17 -2.715 -2.877 -8.164 105 HD22 ASN 17 2HD2 ASN 17 -3.164 -1.216 -8.322 106 H ARG 18 H ARG 18 -4.270 -6.854 -7.038 107 HA ARG 18 HA ARG 18 -6.828 -7.924 -6.639 108 HB2 ARG 18 1HB ARG 18 -5.147 -9.050 -7.999 109 HB3 ARG 18 2HB ARG 18 -4.138 -9.302 -6.581 110 HG2 ARG 18 1HG ARG 18 -5.776 -10.792 -5.626 111 HG3 ARG 18 2HG ARG 18 -6.887 -10.470 -6.959 112 HD2 ARG 18 1HD ARG 18 -5.388 -11.502 -8.529 113 HD3 ARG 18 2HD ARG 18 -4.146 -11.678 -7.290 114 HE ARG 18 HE ARG 18 -6.357 -13.030 -6.349 115 HH11 ARG 18 2HH1 ARG 18 -4.255 -13.211 -9.118 116 HH12 ARG 18 1HH1 ARG 18 -4.450 -14.921 -9.318 117 HH21 ARG 18 2HH2 ARG 18 -6.621 -15.281 -6.601 118 HH22 ARG 18 1HH2 ARG 18 -5.797 -16.098 -7.886 119 H THR 19 H THR 19 -3.954 -8.053 -4.541 120 HA THR 19 HA THR 19 -5.097 -9.486 -2.436 121 HB THR 19 HB THR 19 -2.975 -7.347 -2.184 122 HG1 THR 19 1HG THR 19 -2.257 -8.824 -3.690 123 HG21 THR 19 1HG2 THR 19 -2.424 -9.430 -0.444 124 HG22 THR 19 2HG2 THR 19 -4.173 -9.236 -0.329 125 HG23 THR 19 3HG2 THR 19 -3.111 -7.865 -0.013 126 H LEU 20 H LEU 20 -5.258 -6.082 -3.243 127 HA LEU 20 HA LEU 20 -6.255 -5.147 -0.771 128 HB2 LEU 20 1HB LEU 20 -6.536 -4.068 -3.569 129 HB3 LEU 20 2HB LEU 20 -7.076 -3.210 -2.127 130 HG LEU 20 HG LEU 20 -4.216 -4.059 -2.454 131 HD11 LEU 20 1HD1 LEU 20 -4.403 -1.336 -3.051 132 HD12 LEU 20 2HD1 LEU 20 -5.629 -2.126 -4.043 133 HD13 LEU 20 3HD1 LEU 20 -3.946 -2.645 -4.141 134 HD21 LEU 20 1HD2 LEU 20 -5.297 -1.659 -1.021 135 HD22 LEU 20 2HD2 LEU 20 -3.768 -2.505 -0.779 136 HD23 LEU 20 3HD2 LEU 20 -5.280 -3.249 -0.256 137 H SER 21 H SER 21 -7.878 -6.182 -3.753 138 HA SER 21 HA SER 21 -10.507 -5.663 -2.887 139 HB2 SER 21 1HB SER 21 -9.761 -6.102 -5.264 140 HB3 SER 21 2HB SER 21 -9.685 -7.814 -4.847 141 HG SER 21 HG SER 21 -11.852 -6.242 -5.384 142 H GLU 22 H GLU 22 -8.550 -8.625 -2.808 143 HA GLU 22 HA GLU 22 -10.211 -10.540 -1.967 144 HB2 GLU 22 1HB GLU 22 -7.448 -9.835 -1.081 145 HB3 GLU 22 2HB GLU 22 -8.297 -11.123 -0.237 146 HG2 GLU 22 1HG GLU 22 -8.730 -11.988 -2.681 147 HG3 GLU 22 2HG GLU 22 -7.301 -11.018 -3.034 148 H ALA 23 H ALA 23 -8.948 -7.982 0.146 149 HA ALA 23 HA ALA 23 -10.723 -8.850 2.296 150 HB1 ALA 23 1HB ALA 23 -8.299 -7.172 2.118 151 HB2 ALA 23 2HB ALA 23 -9.484 -6.715 3.342 152 HB3 ALA 23 3HB ALA 23 -8.790 -8.336 3.349 153 H GLY 24 H GLY 24 -10.267 -6.198 0.038 154 HA2 GLY 24 1HA GLY 24 -12.150 -4.939 -0.746 155 HA3 GLY 24 2HA GLY 24 -12.919 -5.188 0.815 156 H LYS 25 H LYS 25 -9.739 -3.930 -0.191 157 HA LYS 25 HA LYS 25 -9.956 -1.805 1.768 158 HB2 LYS 25 1HB LYS 25 -7.756 -2.364 -0.229 159 HB3 LYS 25 2HB LYS 25 -7.665 -1.258 1.135 160 HG2 LYS 25 1HG LYS 25 -8.156 -4.206 1.449 161 HG3 LYS 25 2HG LYS 25 -6.545 -3.486 1.445 162 HD2 LYS 25 1HD LYS 25 -6.845 -2.469 3.474 163 HD3 LYS 25 2HD LYS 25 -8.592 -2.327 3.265 164 HE2 LYS 25 1HE LYS 25 -8.515 -4.940 3.407 165 HE3 LYS 25 2HE LYS 25 -6.969 -4.651 4.204 166 HZ1 LYS 25 1HZ LYS 25 -8.456 -2.957 5.550 167 HZ2 LYS 25 2HZ LYS 25 -8.328 -4.583 5.997 168 HZ3 LYS 25 3HZ LYS 25 -9.674 -4.051 5.122 169 H SER 26 H SER 26 -9.840 0.422 1.288 170 HA SER 26 HA SER 26 -11.040 1.100 -1.293 171 HB2 SER 26 1HB SER 26 -10.749 2.739 1.237 172 HB3 SER 26 2HB SER 26 -11.577 3.269 -0.227 173 HG SER 26 HG SER 26 -12.329 0.850 0.980 174 H THR 27 H THR 27 -8.203 0.465 -1.043 175 HA THR 27 HA THR 27 -7.132 2.986 -2.106 176 HB THR 27 HB THR 27 -4.914 2.396 -1.053 177 HG1 THR 27 1HG THR 27 -5.945 0.170 -0.495 178 HG21 THR 27 1HG2 THR 27 -6.413 4.157 -0.166 179 HG22 THR 27 2HG2 THR 27 -5.461 3.373 1.095 180 HG23 THR 27 3HG2 THR 27 -7.161 2.955 0.884 181 H SER 28 H SER 28 -5.381 2.738 -3.599 182 HA SER 28 HA SER 28 -4.430 0.209 -4.450 183 HB2 SER 28 1HB SER 28 -5.531 0.242 -6.721 184 HB3 SER 28 2HB SER 28 -6.612 -0.143 -5.382 185 HG SER 28 HG SER 28 -6.791 1.852 -7.149 186 H ILE 29 H ILE 29 -2.811 0.374 -6.020 187 HA ILE 29 HA ILE 29 -2.060 3.138 -6.719 188 HB ILE 29 HB ILE 29 0.292 2.349 -6.751 189 HG12 ILE 29 1HG1 ILE 29 -0.508 -0.071 -5.195 190 HG13 ILE 29 2HG1 ILE 29 -0.617 -0.134 -6.951 191 HG21 ILE 29 1HG2 ILE 29 0.389 3.165 -4.691 192 HG22 ILE 29 2HG2 ILE 29 -1.348 2.913 -4.530 193 HG23 ILE 29 3HG2 ILE 29 -0.224 1.648 -4.032 194 HD11 ILE 29 1HD1 ILE 29 1.750 0.445 -7.112 195 HD12 ILE 29 2HD1 ILE 29 1.854 0.490 -5.352 196 HD13 ILE 29 3HD1 ILE 29 1.495 -1.027 -6.176 197 H GLN 30 H GLN 30 -0.320 3.021 -8.593 198 HA GLN 30 HA GLN 30 -1.383 1.228 -10.675 199 HB2 GLN 30 1HB GLN 30 -0.816 4.164 -10.742 200 HB3 GLN 30 2HB GLN 30 -0.621 3.222 -12.214 201 HG2 GLN 30 1HG GLN 30 -3.001 2.379 -11.741 202 HG3 GLN 30 2HG GLN 30 -3.105 3.748 -10.635 203 HE21 GLN 30 1HE2 GLN 30 -4.396 5.146 -11.626 204 HE22 GLN 30 2HE2 GLN 30 -4.178 5.748 -13.231 205 H SER 31 H SER 31 1.409 3.054 -9.513 206 HA SER 31 HA SER 31 3.184 0.986 -10.473 207 HB2 SER 31 1HB SER 31 2.746 2.814 -12.333 208 HB3 SER 31 2HB SER 31 3.906 3.742 -11.384 209 HG SER 31 HG SER 31 4.487 1.983 -13.176 210 H PHE 32 H PHE 32 5.567 1.768 -10.013 211 HA PHE 32 HA PHE 32 5.590 2.531 -7.220 212 HB2 PHE 32 1HB PHE 32 8.067 2.011 -8.829 213 HB3 PHE 32 2HB PHE 32 7.755 1.672 -7.129 214 HD1 PHE 32 1HD PHE 32 5.811 -0.074 -6.714 215 HD2 PHE 32 2HD PHE 32 8.079 0.254 -10.301 216 HE1 PHE 32 1HE PHE 32 5.245 -2.401 -7.281 217 HE2 PHE 32 2HE PHE 32 7.516 -2.072 -10.874 218 HZ PHE 32 HZ PHE 32 6.096 -3.402 -9.364 219 H LYS 33 H LYS 33 4.985 4.484 -9.420 220 HA LYS 33 HA LYS 33 7.040 6.474 -8.712 221 HB2 LYS 33 1HB LYS 33 5.629 6.058 -11.347 222 HB3 LYS 33 2HB LYS 33 6.495 7.537 -10.951 223 HG2 LYS 33 1HG LYS 33 8.439 5.823 -10.419 224 HG3 LYS 33 2HG LYS 33 7.537 4.831 -11.567 225 HD2 LYS 33 1HD LYS 33 8.151 7.672 -12.250 226 HD3 LYS 33 2HD LYS 33 9.419 6.453 -12.400 227 HE2 LYS 33 1HE LYS 33 8.054 5.161 -13.913 228 HE3 LYS 33 2HE LYS 33 6.695 6.260 -13.681 229 HZ1 LYS 33 1HZ LYS 33 7.984 8.024 -14.699 230 HZ2 LYS 33 2HZ LYS 33 7.865 6.705 -15.750 231 HZ3 LYS 33 3HZ LYS 33 9.303 6.985 -14.905 232 H ASP 34 H ASP 34 3.691 5.693 -9.059 233 HA ASP 34 HA ASP 34 2.409 8.101 -9.158 234 HB2 ASP 34 1HB ASP 34 1.439 5.718 -8.923 235 HB3 ASP 34 2HB ASP 34 1.536 6.002 -7.187 236 H LYS 35 H LYS 35 1.642 9.602 -7.623 237 HA LYS 35 HA LYS 35 3.464 9.972 -5.376 238 HB2 LYS 35 1HB LYS 35 1.333 11.830 -6.448 239 HB3 LYS 35 2HB LYS 35 2.564 12.235 -5.259 240 HG2 LYS 35 1HG LYS 35 3.356 11.260 -7.970 241 HG3 LYS 35 2HG LYS 35 2.886 12.943 -7.724 242 HD2 LYS 35 1HD LYS 35 4.708 13.399 -6.397 243 HD3 LYS 35 2HD LYS 35 4.885 11.721 -5.880 244 HE2 LYS 35 1HE LYS 35 5.424 12.650 -8.693 245 HE3 LYS 35 2HE LYS 35 6.666 12.587 -7.444 246 HZ1 LYS 35 1HZ LYS 35 6.696 10.594 -8.792 247 HZ2 LYS 35 2HZ LYS 35 5.074 10.281 -8.428 248 HZ3 LYS 35 3HZ LYS 35 6.243 10.212 -7.207 249 H THR 36 H THR 36 1.175 8.000 -5.468 250 HA THR 36 HA THR 36 -0.435 9.013 -3.229 251 HB THR 36 HB THR 36 -1.823 6.908 -3.704 252 HG1 THR 36 1HG THR 36 0.002 6.139 -5.165 253 HG21 THR 36 1HG2 THR 36 -2.651 8.085 -5.961 254 HG22 THR 36 2HG2 THR 36 -1.634 9.380 -5.328 255 HG23 THR 36 3HG2 THR 36 -2.972 8.758 -4.363 256 H ILE 37 H ILE 37 2.224 7.082 -3.858 257 HA ILE 37 HA ILE 37 1.773 5.106 -1.807 258 HB ILE 37 HB ILE 37 4.322 5.795 -3.274 259 HG12 ILE 37 1HG1 ILE 37 2.485 3.464 -3.805 260 HG13 ILE 37 2HG1 ILE 37 2.312 5.001 -4.645 261 HG21 ILE 37 1HG2 ILE 37 4.543 3.195 -2.552 262 HG22 ILE 37 2HG2 ILE 37 5.205 4.542 -1.629 263 HG23 ILE 37 3HG2 ILE 37 3.648 3.848 -1.180 264 HD11 ILE 37 1HD1 ILE 37 4.884 4.595 -5.124 265 HD12 ILE 37 2HD1 ILE 37 4.391 2.915 -4.909 266 HD13 ILE 37 3HD1 ILE 37 3.615 3.912 -6.139 267 H SER 38 H SER 38 3.420 8.182 -2.104 268 HA SER 38 HA SER 38 5.078 8.142 0.105 269 HB2 SER 38 1HB SER 38 5.377 10.070 -1.106 270 HB3 SER 38 2HB SER 38 3.650 10.285 -1.392 271 HG SER 38 HG SER 38 4.689 10.556 1.206 272 H SER 39 H SER 39 1.609 8.493 -0.053 273 HA SER 39 HA SER 39 1.272 9.390 2.639 274 HB2 SER 39 1HB SER 39 -1.103 9.019 2.266 275 HB3 SER 39 2HB SER 39 -0.404 9.796 0.846 276 HG SER 39 HG SER 39 -0.772 8.053 -0.302 277 H SER 40 H SER 40 1.715 6.325 1.129 278 HA SER 40 HA SER 40 1.908 4.213 1.952 279 HB2 SER 40 1HB SER 40 1.829 5.456 4.707 280 HB3 SER 40 2HB SER 40 2.539 3.909 4.247 281 HG SER 40 HG SER 40 4.157 4.971 3.182 282 H LEU 41 H LEU 41 -0.723 5.556 1.594 283 HA LEU 41 HA LEU 41 -2.452 4.424 3.603 284 HB2 LEU 41 1HB LEU 41 -3.040 5.755 0.964 285 HB3 LEU 41 2HB LEU 41 -4.269 5.239 2.117 286 HG LEU 41 HG LEU 41 -2.151 7.310 2.687 287 HD11 LEU 41 1HD1 LEU 41 -4.615 7.495 1.215 288 HD12 LEU 41 2HD1 LEU 41 -3.387 8.726 1.509 289 HD13 LEU 41 3HD1 LEU 41 -4.685 8.480 2.676 290 HD21 LEU 41 1HD2 LEU 41 -3.042 6.068 4.642 291 HD22 LEU 41 2HD2 LEU 41 -4.662 6.608 4.202 292 HD23 LEU 41 3HD2 LEU 41 -3.433 7.788 4.663 293 H ALA 42 H ALA 42 -1.606 3.726 0.239 294 HA ALA 42 HA ALA 42 -3.409 1.527 -0.013 295 HB1 ALA 42 1HB ALA 42 -1.952 1.019 -2.050 296 HB2 ALA 42 2HB ALA 42 -2.819 2.555 -2.032 297 HB3 ALA 42 3HB ALA 42 -1.096 2.509 -1.655 298 H VAL 43 H VAL 43 0.023 1.854 0.763 299 HA VAL 43 HA VAL 43 0.738 -0.845 0.689 300 HB VAL 43 HB VAL 43 1.824 1.324 2.492 301 HG11 VAL 43 1HG1 VAL 43 2.447 -1.502 2.240 302 HG12 VAL 43 2HG1 VAL 43 3.852 -0.472 1.957 303 HG13 VAL 43 3HG1 VAL 43 2.948 -0.339 3.466 304 HG21 VAL 43 1HG2 VAL 43 2.227 2.114 0.361 305 HG22 VAL 43 2HG2 VAL 43 3.688 1.178 0.675 306 HG23 VAL 43 3HG2 VAL 43 2.402 0.497 -0.321 307 H VAL 44 H VAL 44 -0.172 1.109 3.534 308 HA VAL 44 HA VAL 44 -0.168 -0.908 5.427 309 HB VAL 44 HB VAL 44 -2.054 1.451 5.311 310 HG11 VAL 44 1HG1 VAL 44 -1.125 -0.052 7.747 311 HG12 VAL 44 2HG1 VAL 44 -2.392 1.171 7.639 312 HG13 VAL 44 3HG1 VAL 44 -2.633 -0.416 6.908 313 HG21 VAL 44 1HG2 VAL 44 0.435 1.377 6.952 314 HG22 VAL 44 2HG2 VAL 44 0.551 1.747 5.231 315 HG23 VAL 44 3HG2 VAL 44 -0.435 2.760 6.287 316 H ASP 45 H ASP 45 -2.744 0.054 3.206 317 HA ASP 45 HA ASP 45 -4.764 -1.603 4.248 318 HB2 ASP 45 1HB ASP 45 -4.305 -0.360 1.546 319 HB3 ASP 45 2HB ASP 45 -5.687 -1.412 1.843 320 H LEU 46 H LEU 46 -2.255 -2.174 1.835 321 HA LEU 46 HA LEU 46 -3.146 -4.656 0.896 322 HB2 LEU 46 1HB LEU 46 -1.435 -3.461 -0.271 323 HB3 LEU 46 2HB LEU 46 -0.374 -3.505 1.135 324 HG LEU 46 HG LEU 46 -0.383 -6.048 0.833 325 HD11 LEU 46 1HD1 LEU 46 -1.463 -6.980 -0.869 326 HD12 LEU 46 2HD1 LEU 46 -0.788 -5.826 -2.018 327 HD13 LEU 46 3HD1 LEU 46 -2.254 -5.424 -1.124 328 HD21 LEU 46 1HD2 LEU 46 0.889 -4.463 -1.387 329 HD22 LEU 46 2HD2 LEU 46 1.472 -5.951 -0.640 330 HD23 LEU 46 3HD2 LEU 46 1.477 -4.443 0.276 331 H ILE 47 H ILE 47 -0.654 -3.984 3.360 332 HA ILE 47 HA ILE 47 -0.040 -6.516 4.160 333 HB ILE 47 HB ILE 47 -0.370 -4.061 5.880 334 HG12 ILE 47 1HG1 ILE 47 2.227 -5.341 5.106 335 HG13 ILE 47 2HG1 ILE 47 1.388 -4.318 3.946 336 HG21 ILE 47 1HG2 ILE 47 0.295 -6.833 6.600 337 HG22 ILE 47 2HG2 ILE 47 1.380 -5.603 7.244 338 HG23 ILE 47 3HG2 ILE 47 -0.347 -5.523 7.591 339 HD11 ILE 47 1HD1 ILE 47 1.393 -2.510 5.662 340 HD12 ILE 47 2HD1 ILE 47 2.423 -3.540 6.656 341 HD13 ILE 47 3HD1 ILE 47 2.989 -2.984 5.081 342 H ASP 48 H ASP 48 -2.631 -4.529 5.599 343 HA ASP 48 HA ASP 48 -3.707 -6.184 7.426 344 HB2 ASP 48 1HB ASP 48 -4.688 -4.023 6.994 345 HB3 ASP 48 2HB ASP 48 -5.210 -4.531 5.390 346 H ALA 49 H ALA 49 -4.414 -6.357 3.944 347 HA ALA 49 HA ALA 49 -6.223 -8.426 3.915 348 HB1 ALA 49 1HB ALA 49 -5.826 -8.610 1.659 349 HB2 ALA 49 2HB ALA 49 -5.182 -7.001 1.986 350 HB3 ALA 49 3HB ALA 49 -4.087 -8.375 1.835 351 H ILE 50 H ILE 50 -2.686 -8.768 3.569 352 HA ILE 50 HA ILE 50 -2.625 -11.561 3.606 353 HB ILE 50 HB ILE 50 -0.486 -9.667 4.586 354 HG12 ILE 50 1HG1 ILE 50 -0.484 -10.963 1.890 355 HG13 ILE 50 2HG1 ILE 50 -1.481 -9.535 2.146 356 HG21 ILE 50 1HG2 ILE 50 0.463 -12.099 3.384 357 HG22 ILE 50 2HG2 ILE 50 0.798 -11.435 4.982 358 HG23 ILE 50 3HG2 ILE 50 -0.617 -12.458 4.731 359 HD11 ILE 50 1HD1 ILE 50 0.529 -8.721 1.296 360 HD12 ILE 50 2HD1 ILE 50 0.641 -8.435 3.033 361 HD13 ILE 50 3HD1 ILE 50 1.497 -9.794 2.306 362 H GLN 51 H GLN 51 -1.593 -9.442 6.286 363 HA GLN 51 HA GLN 51 -2.567 -11.505 8.151 364 HB2 GLN 51 1HB GLN 51 -0.151 -11.365 8.231 365 HB3 GLN 51 2HB GLN 51 -0.223 -9.619 8.435 366 HG2 GLN 51 1HG GLN 51 0.141 -10.267 10.585 367 HG3 GLN 51 2HG GLN 51 -1.622 -10.240 10.561 368 HE21 GLN 51 1HE2 GLN 51 0.833 -11.914 11.730 369 HE22 GLN 51 2HE2 GLN 51 0.184 -13.514 11.715 370 HA PRO 52 HA PRO 52 -5.111 -7.740 8.915 371 HB2 PRO 52 1HB PRO 52 -7.385 -9.126 9.445 372 HB3 PRO 52 2HB PRO 52 -6.884 -8.692 7.806 373 HG2 PRO 52 1HG PRO 52 -6.567 -11.290 9.260 374 HG3 PRO 52 2HG PRO 52 -7.058 -11.000 7.581 375 HD2 PRO 52 1HD PRO 52 -4.543 -11.745 8.255 376 HD3 PRO 52 2HD PRO 52 -4.888 -10.694 6.867 377 H GLY 53 H GLY 53 -6.360 -7.153 10.872 378 HA2 GLY 53 1HA GLY 53 -6.883 -7.352 13.150 379 HA3 GLY 53 2HA GLY 53 -5.935 -8.830 13.216 380 H CYS 54 H CYS 54 -3.642 -7.497 11.875 381 HA CYS 54 HA CYS 54 -2.468 -6.392 14.283 382 HB2 CYS 54 1HB CYS 54 -0.374 -6.665 13.230 383 HB3 CYS 54 2HB CYS 54 -1.324 -8.051 12.709 384 HG CYS 54 HG CYS 54 -0.957 -7.673 10.205 385 H ILE 55 H ILE 55 -3.526 -5.306 11.132 386 HA ILE 55 HA ILE 55 -2.295 -2.726 11.298 387 HB ILE 55 HB ILE 55 -4.539 -3.708 9.530 388 HG12 ILE 55 1HG1 ILE 55 -2.327 -4.843 9.259 389 HG13 ILE 55 2HG1 ILE 55 -2.852 -3.966 7.826 390 HG21 ILE 55 1HG2 ILE 55 -2.973 -1.140 9.522 391 HG22 ILE 55 2HG2 ILE 55 -3.871 -1.723 8.122 392 HG23 ILE 55 3HG2 ILE 55 -4.721 -1.350 9.621 393 HD11 ILE 55 1HD1 ILE 55 -0.806 -3.058 9.835 394 HD12 ILE 55 2HD1 ILE 55 -0.504 -3.613 8.188 395 HD13 ILE 55 3HD1 ILE 55 -1.374 -2.105 8.464 396 H ASN 56 H ASN 56 -2.960 -1.032 12.428 397 HA ASN 56 HA ASN 56 -5.770 -0.950 13.313 398 HB2 ASN 56 1HB ASN 56 -3.864 -1.242 15.052 399 HB3 ASN 56 2HB ASN 56 -3.543 0.464 14.753 400 HD21 ASN 56 1HD2 ASN 56 -4.064 0.447 17.116 401 HD22 ASN 56 2HD2 ASN 56 -5.717 0.686 17.559 402 H TYR 57 H TYR 57 -6.518 0.258 11.571 403 HA TYR 57 HA TYR 57 -5.362 2.489 10.423 404 HB2 TYR 57 1HB TYR 57 -8.268 1.781 10.825 405 HB3 TYR 57 2HB TYR 57 -7.747 3.167 9.873 406 HD1 TYR 57 2HD TYR 57 -5.509 2.218 8.344 407 HD2 TYR 57 1HD TYR 57 -9.077 0.155 9.399 408 HE1 TYR 57 2HE TYR 57 -5.247 0.770 6.373 409 HE2 TYR 57 1HE TYR 57 -8.825 -1.300 7.432 410 HH TYR 57 HH TYR 57 -6.387 -0.697 5.002 411 H ASP 58 H ASP 58 -7.271 2.240 13.365 412 HA ASP 58 HA ASP 58 -7.990 4.765 13.966 413 HB2 ASP 58 1HB ASP 58 -8.277 2.827 15.481 414 HB3 ASP 58 2HB ASP 58 -6.568 2.919 15.896 415 H LEU 59 H LEU 59 -4.710 3.527 13.929 416 HA LEU 59 HA LEU 59 -3.643 6.050 14.921 417 HB2 LEU 59 1HB LEU 59 -2.094 3.646 13.989 418 HB3 LEU 59 2HB LEU 59 -1.528 4.967 15.010 419 HG LEU 59 HG LEU 59 -3.694 3.083 15.903 420 HD11 LEU 59 1HD1 LEU 59 -0.766 2.656 15.764 421 HD12 LEU 59 2HD1 LEU 59 -2.089 1.493 15.686 422 HD13 LEU 59 3HD1 LEU 59 -1.592 2.159 17.241 423 HD21 LEU 59 1HD2 LEU 59 -1.709 4.567 17.589 424 HD22 LEU 59 2HD2 LEU 59 -3.285 3.916 18.039 425 HD23 LEU 59 3HD2 LEU 59 -3.182 5.347 17.013 426 H VAL 60 H VAL 60 -3.835 4.171 11.961 427 HA VAL 60 HA VAL 60 -2.012 5.651 10.413 428 HB VAL 60 HB VAL 60 -4.479 4.182 9.471 429 HG11 VAL 60 1HG1 VAL 60 -3.397 5.821 7.876 430 HG12 VAL 60 2HG1 VAL 60 -1.977 4.773 7.908 431 HG13 VAL 60 3HG1 VAL 60 -3.518 4.155 7.311 432 HG21 VAL 60 1HG2 VAL 60 -3.348 2.226 9.569 433 HG22 VAL 60 2HG2 VAL 60 -1.794 2.980 9.213 434 HG23 VAL 60 3HG2 VAL 60 -2.460 3.060 10.844 435 H LYS 61 H LYS 61 -2.165 7.516 9.303 436 HA LYS 61 HA LYS 61 -4.494 9.182 9.783 437 HB2 LYS 61 1HB LYS 61 -1.701 9.627 8.862 438 HB3 LYS 61 2HB LYS 61 -2.918 10.782 8.335 439 HG2 LYS 61 1HG LYS 61 -2.468 10.039 11.214 440 HG3 LYS 61 2HG LYS 61 -1.686 11.406 10.417 441 HD2 LYS 61 1HD LYS 61 -3.775 12.480 10.032 442 HD3 LYS 61 2HD LYS 61 -4.675 11.039 10.513 443 HE2 LYS 61 1HE LYS 61 -3.455 11.342 12.780 444 HE3 LYS 61 2HE LYS 61 -3.163 12.986 12.214 445 HZ1 LYS 61 1HZ LYS 61 -5.886 12.164 11.877 446 HZ2 LYS 61 2HZ LYS 61 -5.263 13.554 12.613 447 HZ3 LYS 61 3HZ LYS 61 -5.397 12.117 13.496 448 H SER 62 H SER 62 -5.019 10.702 7.805 449 HA SER 62 HA SER 62 -4.899 9.528 5.209 450 HB2 SER 62 1HB SER 62 -7.330 9.098 4.957 451 HB3 SER 62 2HB SER 62 -6.578 8.026 6.138 452 HG SER 62 HG SER 62 -8.036 10.390 6.730 453 H GLY 63 H GLY 63 -6.035 10.817 3.590 454 HA2 GLY 63 1HA GLY 63 -7.057 12.772 2.809 455 HA3 GLY 63 2HA GLY 63 -7.104 13.379 4.458 456 H ASN 64 H ASN 64 -5.817 15.042 4.854 457 HA ASN 64 HA ASN 64 -3.653 15.634 2.990 458 HB2 ASN 64 1HB ASN 64 -3.577 17.802 4.396 459 HB3 ASN 64 2HB ASN 64 -4.968 17.540 3.347 460 HD21 ASN 64 1HD2 ASN 64 -5.937 19.136 4.795 461 HD22 ASN 64 2HD2 ASN 64 -6.668 18.587 6.260 462 H LEU 65 H LEU 65 -1.869 14.485 3.491 463 HA LEU 65 HA LEU 65 -1.007 14.352 6.288 464 HB2 LEU 65 1HB LEU 65 0.196 12.927 3.928 465 HB3 LEU 65 2HB LEU 65 0.445 12.579 5.637 466 HG LEU 65 HG LEU 65 -2.219 12.248 4.275 467 HD11 LEU 65 1HD1 LEU 65 -1.746 9.947 3.945 468 HD12 LEU 65 2HD1 LEU 65 -0.208 10.071 4.797 469 HD13 LEU 65 3HD1 LEU 65 -0.412 10.851 3.229 470 HD21 LEU 65 1HD2 LEU 65 -2.034 12.458 6.794 471 HD22 LEU 65 2HD2 LEU 65 -1.164 10.924 6.760 472 HD23 LEU 65 3HD2 LEU 65 -2.829 11.007 6.183 473 H THR 66 H THR 66 0.253 15.972 6.916 474 HA THR 66 HA THR 66 1.788 17.549 5.093 475 HB THR 66 HB THR 66 0.807 18.492 7.165 476 HG1 THR 66 1HG THR 66 3.580 18.797 7.474 477 HG21 THR 66 1HG2 THR 66 2.904 16.785 8.510 478 HG22 THR 66 2HG2 THR 66 1.155 16.680 8.711 479 HG23 THR 66 3HG2 THR 66 2.028 18.094 9.303 480 H GLU 67 H GLU 67 4.168 18.041 5.762 481 HA GLU 67 HA GLU 67 5.842 16.098 4.972 482 HB2 GLU 67 1HB GLU 67 6.430 18.092 7.168 483 HB3 GLU 67 2HB GLU 67 7.644 17.195 6.266 484 HG2 GLU 67 1HG GLU 67 7.651 19.192 5.156 485 HG3 GLU 67 2HG GLU 67 6.494 18.274 4.192 486 H ASP 68 H ASP 68 4.942 16.641 8.372 487 HA ASP 68 HA ASP 68 6.388 14.442 9.397 488 HB2 ASP 68 1HB ASP 68 3.926 15.735 10.587 489 HB3 ASP 68 2HB ASP 68 5.139 14.787 11.444 490 H ASP 69 H ASP 69 2.881 14.815 8.856 491 HA ASP 69 HA ASP 69 1.998 12.322 9.498 492 HB2 ASP 69 1HB ASP 69 1.125 14.097 7.215 493 HB3 ASP 69 2HB ASP 69 0.253 12.644 7.696 494 H LYS 70 H LYS 70 2.780 13.217 6.133 495 HA LYS 70 HA LYS 70 2.668 10.857 4.870 496 HB2 LYS 70 1HB LYS 70 4.698 13.057 4.629 497 HB3 LYS 70 2HB LYS 70 4.802 11.630 3.605 498 HG2 LYS 70 1HG LYS 70 2.561 12.076 2.747 499 HG3 LYS 70 2HG LYS 70 2.449 13.503 3.780 500 HD2 LYS 70 1HD LYS 70 4.177 14.609 2.588 501 HD3 LYS 70 2HD LYS 70 4.626 13.132 1.733 502 HE2 LYS 70 1HE LYS 70 2.135 13.250 0.901 503 HE3 LYS 70 2HE LYS 70 2.311 14.959 1.297 504 HZ1 LYS 70 1HZ LYS 70 3.838 15.279 -0.345 505 HZ2 LYS 70 2HZ LYS 70 2.924 14.051 -1.063 506 HZ3 LYS 70 3HZ LYS 70 4.397 13.682 -0.318 507 H HIS 71 H HIS 71 5.471 11.916 6.787 508 HA HIS 71 HA HIS 71 6.945 9.521 6.429 509 HB2 HIS 71 1HB HIS 71 7.140 11.891 8.235 510 HB3 HIS 71 2HB HIS 71 8.065 10.450 8.645 511 HD1 HIS 71 1HD HIS 71 9.961 9.752 6.987 512 HD2 HIS 71 2HD HIS 71 8.101 13.355 6.083 513 HE1 HIS 71 1HE HIS 71 11.456 10.876 5.307 514 HE2 HIS 71 2HE HIS 71 10.354 13.092 4.839 515 H ASN 72 H ASN 72 4.703 10.641 8.916 516 HA ASN 72 HA ASN 72 5.093 8.608 10.790 517 HB2 ASN 72 1HB ASN 72 2.871 10.492 10.156 518 HB3 ASN 72 2HB ASN 72 2.520 9.136 11.224 519 HD21 ASN 72 1HD2 ASN 72 4.390 12.043 10.798 520 HD22 ASN 72 2HD2 ASN 72 4.833 12.238 12.456 521 H ASN 73 H ASN 73 2.730 8.805 8.134 522 HA ASN 73 HA ASN 73 1.478 6.354 8.547 523 HB2 ASN 73 1HB ASN 73 1.980 7.811 5.943 524 HB3 ASN 73 2HB ASN 73 0.839 6.486 6.151 525 HD21 ASN 73 1HD2 ASN 73 -1.105 7.353 5.979 526 HD22 ASN 73 2HD2 ASN 73 -1.672 8.736 6.846 527 H ALA 74 H ALA 74 4.187 7.106 6.357 528 HA ALA 74 HA ALA 74 4.631 4.533 5.397 529 HB1 ALA 74 1HB ALA 74 6.189 7.025 5.556 530 HB2 ALA 74 2HB ALA 74 7.132 5.545 5.372 531 HB3 ALA 74 3HB ALA 74 5.892 5.953 4.187 532 H LYS 75 H LYS 75 6.343 6.173 8.065 533 HA LYS 75 HA LYS 75 8.033 4.250 8.924 534 HB2 LYS 75 1HB LYS 75 6.363 6.222 10.440 535 HB3 LYS 75 2HB LYS 75 7.359 5.070 11.321 536 HG2 LYS 75 1HG LYS 75 9.292 5.903 9.881 537 HG3 LYS 75 2HG LYS 75 8.226 7.240 9.443 538 HD2 LYS 75 1HD LYS 75 8.895 6.489 12.285 539 HD3 LYS 75 2HD LYS 75 9.774 7.708 11.359 540 HE2 LYS 75 1HE LYS 75 8.261 9.053 12.409 541 HE3 LYS 75 2HE LYS 75 7.333 8.647 10.966 542 HZ1 LYS 75 1HZ LYS 75 7.036 7.588 13.705 543 HZ2 LYS 75 2HZ LYS 75 6.439 6.732 12.375 544 HZ3 LYS 75 3HZ LYS 75 5.863 8.287 12.706 545 H TYR 76 H TYR 76 4.580 4.420 9.741 546 HA TYR 76 HA TYR 76 4.454 2.208 11.426 547 HB2 TYR 76 1HB TYR 76 2.641 3.944 10.917 548 HB3 TYR 76 2HB TYR 76 2.248 2.957 9.513 549 HD1 TYR 76 1HD TYR 76 3.044 2.208 13.094 550 HD2 TYR 76 2HD TYR 76 0.335 1.724 9.848 551 HE1 TYR 76 1HE TYR 76 1.619 0.782 14.503 552 HE2 TYR 76 2HE TYR 76 -1.097 0.297 11.249 553 HH TYR 76 HH TYR 76 -1.195 0.206 14.287 554 H ALA 77 H ALA 77 3.562 2.301 7.970 555 HA ALA 77 HA ALA 77 3.115 -0.360 7.529 556 HB1 ALA 77 1HB ALA 77 4.369 1.688 5.715 557 HB2 ALA 77 2HB ALA 77 3.911 0.071 5.178 558 HB3 ALA 77 3HB ALA 77 2.681 1.181 5.782 559 H VAL 78 H VAL 78 6.253 1.249 6.954 560 HA VAL 78 HA VAL 78 7.845 -0.815 6.286 561 HB VAL 78 HB VAL 78 8.560 1.323 8.298 562 HG11 VAL 78 1HG1 VAL 78 10.453 -0.223 6.545 563 HG12 VAL 78 2HG1 VAL 78 10.840 0.858 7.885 564 HG13 VAL 78 3HG1 VAL 78 10.077 -0.701 8.200 565 HG21 VAL 78 1HG2 VAL 78 9.114 1.275 5.340 566 HG22 VAL 78 2HG2 VAL 78 7.708 2.070 6.048 567 HG23 VAL 78 3HG2 VAL 78 9.333 2.618 6.462 568 H SER 79 H SER 79 6.906 -0.005 9.615 569 HA SER 79 HA SER 79 8.358 -2.104 10.837 570 HB2 SER 79 1HB SER 79 7.571 -0.119 12.075 571 HB3 SER 79 2HB SER 79 5.903 -0.649 11.853 572 HG SER 79 HG SER 79 6.534 -2.594 12.997 573 H MET 80 H MET 80 4.993 -1.816 9.767 574 HA MET 80 HA MET 80 4.101 -4.300 10.730 575 HB2 MET 80 1HB MET 80 3.127 -2.699 8.358 576 HB3 MET 80 2HB MET 80 2.264 -4.045 9.089 577 HG2 MET 80 1HG MET 80 2.841 -1.350 10.272 578 HG3 MET 80 2HG MET 80 1.276 -2.081 9.925 579 HE1 MET 80 1HE MET 80 1.380 -5.159 11.977 580 HE2 MET 80 2HE MET 80 0.150 -3.987 12.449 581 HE3 MET 80 3HE MET 80 0.579 -4.180 10.748 582 H ALA 81 H ALA 81 4.887 -3.427 7.358 583 HA ALA 81 HA ALA 81 4.744 -5.752 6.061 584 HB1 ALA 81 1HB ALA 81 7.324 -4.662 5.422 585 HB2 ALA 81 2HB ALA 81 5.833 -4.640 4.479 586 HB3 ALA 81 3HB ALA 81 6.150 -3.366 5.657 587 H ARG 82 H ARG 82 7.809 -4.836 7.650 588 HA ARG 82 HA ARG 82 8.963 -7.390 7.460 589 HB2 ARG 82 1HB ARG 82 10.597 -6.564 9.108 590 HB3 ARG 82 2HB ARG 82 10.311 -5.398 7.823 591 HG2 ARG 82 1HG ARG 82 8.590 -4.383 9.480 592 HG3 ARG 82 2HG ARG 82 9.499 -5.288 10.692 593 HD2 ARG 82 1HD ARG 82 10.797 -3.413 8.729 594 HD3 ARG 82 2HD ARG 82 10.218 -2.893 10.311 595 HE ARG 82 HE ARG 82 12.634 -4.259 9.768 596 HH11 ARG 82 2HH1 ARG 82 10.044 -4.091 12.089 597 HH12 ARG 82 1HH1 ARG 82 11.022 -4.630 13.414 598 HH21 ARG 82 2HH2 ARG 82 13.931 -4.970 11.504 599 HH22 ARG 82 1HH2 ARG 82 13.233 -5.129 13.080 600 H ARG 83 H ARG 83 7.275 -5.794 10.149 601 HA ARG 83 HA ARG 83 7.564 -7.622 12.150 602 HB2 ARG 83 1HB ARG 83 6.357 -5.595 12.553 603 HB3 ARG 83 2HB ARG 83 5.121 -6.027 11.378 604 HG2 ARG 83 1HG ARG 83 4.807 -8.092 12.991 605 HG3 ARG 83 2HG ARG 83 5.512 -6.976 14.162 606 HD2 ARG 83 1HD ARG 83 3.742 -5.507 14.030 607 HD3 ARG 83 2HD ARG 83 3.287 -6.039 12.412 608 HE ARG 83 HE ARG 83 1.937 -7.620 13.359 609 HH11 ARG 83 2HH1 ARG 83 4.203 -6.493 15.749 610 HH12 ARG 83 1HH1 ARG 83 3.460 -7.360 17.052 611 HH21 ARG 83 2HH2 ARG 83 0.950 -8.767 15.066 612 HH22 ARG 83 1HH2 ARG 83 1.610 -8.654 16.662 613 H ILE 84 H ILE 84 4.873 -7.663 9.804 614 HA ILE 84 HA ILE 84 3.807 -10.125 10.580 615 HB ILE 84 HB ILE 84 2.736 -10.189 8.353 616 HG12 ILE 84 1HG1 ILE 84 4.188 -7.610 7.769 617 HG13 ILE 84 2HG1 ILE 84 4.769 -9.169 7.195 618 HG21 ILE 84 1HG2 ILE 84 1.578 -8.958 9.995 619 HG22 ILE 84 2HG2 ILE 84 2.705 -7.607 9.888 620 HG23 ILE 84 3HG2 ILE 84 1.593 -7.935 8.559 621 HD11 ILE 84 1HD1 ILE 84 3.453 -7.885 5.531 622 HD12 ILE 84 2HD1 ILE 84 2.802 -9.487 5.881 623 HD13 ILE 84 3HD1 ILE 84 2.045 -8.056 6.579 624 H GLY 85 H GLY 85 6.587 -9.373 8.659 625 HA2 GLY 85 1HA GLY 85 8.180 -11.333 8.641 626 HA3 GLY 85 2HA GLY 85 6.844 -12.223 7.926 627 H ALA 86 H ALA 86 8.976 -9.440 7.416 628 HA ALA 86 HA ALA 86 9.147 -10.121 4.597 629 HB1 ALA 86 1HB ALA 86 8.000 -7.528 5.586 630 HB2 ALA 86 2HB ALA 86 8.730 -7.684 3.988 631 HB3 ALA 86 3HB ALA 86 7.322 -8.657 4.413 632 H ARG 87 H ARG 87 11.246 -10.162 4.172 633 HA ARG 87 HA ARG 87 13.131 -8.722 5.817 634 HB2 ARG 87 1HB ARG 87 13.445 -11.077 4.873 635 HB3 ARG 87 2HB ARG 87 13.769 -10.298 3.330 636 HG2 ARG 87 1HG ARG 87 15.894 -10.516 4.104 637 HG3 ARG 87 2HG ARG 87 15.500 -8.933 4.776 638 HD2 ARG 87 1HD ARG 87 16.530 -10.238 6.496 639 HD3 ARG 87 2HD ARG 87 14.818 -10.073 6.883 640 HE ARG 87 HE ARG 87 15.045 -12.432 5.484 641 HH11 ARG 87 2HH1 ARG 87 16.352 -11.101 8.423 642 HH12 ARG 87 1HH1 ARG 87 16.505 -12.639 9.206 643 HH21 ARG 87 2HH2 ARG 87 15.241 -14.463 6.504 644 HH22 ARG 87 1HH2 ARG 87 15.873 -14.551 8.113 645 H VAL 88 H VAL 88 11.913 -6.684 4.957 646 HA VAL 88 HA VAL 88 13.378 -5.695 2.596 647 HB VAL 88 HB VAL 88 10.989 -5.861 2.119 648 HG11 VAL 88 1HG1 VAL 88 9.310 -4.999 3.416 649 HG12 VAL 88 2HG1 VAL 88 10.476 -5.437 4.666 650 HG13 VAL 88 3HG1 VAL 88 10.344 -3.762 4.129 651 HG21 VAL 88 1HG2 VAL 88 12.587 -3.558 1.864 652 HG22 VAL 88 2HG2 VAL 88 11.213 -4.038 0.868 653 HG23 VAL 88 3HG2 VAL 88 10.964 -3.002 2.274 654 H TYR 89 H TYR 89 15.059 -4.652 3.544 655 HA TYR 89 HA TYR 89 14.651 -2.956 5.853 656 HB2 TYR 89 1HB TYR 89 17.152 -2.447 5.392 657 HB3 TYR 89 2HB TYR 89 16.707 -4.055 5.954 658 HD1 TYR 89 2HD TYR 89 16.842 -5.976 4.467 659 HD2 TYR 89 1HD TYR 89 17.940 -2.091 3.124 660 HE1 TYR 89 2HE TYR 89 17.958 -6.972 2.514 661 HE2 TYR 89 1HE TYR 89 19.058 -3.076 1.167 662 HH TYR 89 HH TYR 89 19.595 -6.478 0.877 663 H ALA 90 H ALA 90 13.160 -2.145 3.609 664 HA ALA 90 HA ALA 90 14.503 0.019 2.279 665 HB1 ALA 90 1HB ALA 90 11.599 -0.782 2.378 666 HB2 ALA 90 2HB ALA 90 12.238 0.530 1.386 667 HB3 ALA 90 3HB ALA 90 12.761 -1.130 1.098 668 H LEU 91 H LEU 91 15.045 1.796 3.364 669 HA LEU 91 HA LEU 91 14.146 2.671 5.796 670 HB2 LEU 91 1HB LEU 91 14.927 4.510 3.544 671 HB3 LEU 91 2HB LEU 91 15.063 4.820 5.274 672 HG LEU 91 HG LEU 91 16.654 2.754 3.755 673 HD11 LEU 91 1HD1 LEU 91 17.850 4.498 3.053 674 HD12 LEU 91 2HD1 LEU 91 18.390 4.654 4.725 675 HD13 LEU 91 3HD1 LEU 91 17.028 5.612 4.145 676 HD21 LEU 91 1HD2 LEU 91 17.574 2.109 5.707 677 HD22 LEU 91 2HD2 LEU 91 16.067 2.722 6.389 678 HD23 LEU 91 3HD2 LEU 91 17.514 3.732 6.396 679 HA PRO 92 HA PRO 92 10.066 4.222 5.305 680 HB2 PRO 92 1HB PRO 92 10.046 6.168 7.198 681 HB3 PRO 92 2HB PRO 92 10.017 4.445 7.591 682 HG2 PRO 92 1HG PRO 92 12.328 6.348 7.586 683 HG3 PRO 92 2HG PRO 92 11.909 5.099 8.773 684 HD2 PRO 92 1HD PRO 92 13.813 4.732 6.883 685 HD3 PRO 92 2HD PRO 92 12.806 3.404 7.494 686 H GLU 93 H GLU 93 12.818 6.138 4.683 687 HA GLU 93 HA GLU 93 11.390 8.531 3.941 688 HB2 GLU 93 1HB GLU 93 14.261 7.721 3.451 689 HB3 GLU 93 2HB GLU 93 13.591 9.316 3.143 690 HG2 GLU 93 1HG GLU 93 12.934 9.220 5.661 691 HG3 GLU 93 2HG GLU 93 14.186 7.983 5.739 692 H ASP 94 H ASP 94 12.990 5.858 2.256 693 HA ASP 94 HA ASP 94 12.808 6.707 -0.353 694 HB2 ASP 94 1HB ASP 94 12.329 3.893 0.652 695 HB3 ASP 94 2HB ASP 94 12.776 4.340 -0.992 696 H LEU 95 H LEU 95 10.291 5.265 1.655 697 HA LEU 95 HA LEU 95 8.354 4.927 -0.356 698 HB2 LEU 95 1HB LEU 95 8.010 5.432 2.596 699 HB3 LEU 95 2HB LEU 95 6.729 4.901 1.507 700 HG LEU 95 HG LEU 95 9.225 3.276 1.869 701 HD11 LEU 95 1HD1 LEU 95 6.737 2.845 3.488 702 HD12 LEU 95 2HD1 LEU 95 8.070 3.836 4.081 703 HD13 LEU 95 3HD1 LEU 95 8.337 2.134 3.703 704 HD21 LEU 95 1HD2 LEU 95 8.200 1.935 0.432 705 HD22 LEU 95 2HD2 LEU 95 6.845 3.060 0.334 706 HD23 LEU 95 3HD2 LEU 95 6.840 1.776 1.543 707 H VAL 96 H VAL 96 8.960 7.615 1.883 708 HA VAL 96 HA VAL 96 6.815 9.241 1.145 709 HB VAL 96 HB VAL 96 9.564 10.050 2.101 710 HG11 VAL 96 1HG1 VAL 96 8.734 12.018 1.198 711 HG12 VAL 96 2HG1 VAL 96 7.066 11.628 1.621 712 HG13 VAL 96 3HG1 VAL 96 8.206 12.113 2.878 713 HG21 VAL 96 1HG2 VAL 96 7.894 10.473 4.177 714 HG22 VAL 96 2HG2 VAL 96 7.115 9.081 3.424 715 HG23 VAL 96 3HG2 VAL 96 8.800 8.979 3.935 716 H GLU 97 H GLU 97 9.971 8.793 -0.333 717 HA GLU 97 HA GLU 97 9.536 10.935 -2.238 718 HB2 GLU 97 1HB GLU 97 11.763 8.897 -2.059 719 HB3 GLU 97 2HB GLU 97 11.734 10.288 -3.134 720 HG2 GLU 97 1HG GLU 97 11.400 11.580 -0.848 721 HG3 GLU 97 2HG GLU 97 12.217 10.152 -0.215 722 H VAL 98 H VAL 98 8.532 7.787 -1.954 723 HA VAL 98 HA VAL 98 7.677 6.227 -3.380 724 HB VAL 98 HB VAL 98 7.288 8.473 -5.347 725 HG11 VAL 98 1HG1 VAL 98 5.924 7.070 -6.413 726 HG12 VAL 98 2HG1 VAL 98 6.590 5.792 -5.394 727 HG13 VAL 98 3HG1 VAL 98 5.104 6.617 -4.920 728 HG21 VAL 98 1HG2 VAL 98 5.381 7.842 -3.113 729 HG22 VAL 98 2HG2 VAL 98 6.633 9.074 -2.956 730 HG23 VAL 98 3HG2 VAL 98 5.387 9.235 -4.194 731 H LYS 99 H LYS 99 10.385 6.209 -3.458 732 HA LYS 99 HA LYS 99 11.461 6.498 -6.079 733 HB2 LYS 99 1HB LYS 99 12.530 4.839 -3.790 734 HB3 LYS 99 2HB LYS 99 13.434 5.395 -5.192 735 HG2 LYS 99 1HG LYS 99 13.041 7.730 -4.456 736 HG3 LYS 99 2HG LYS 99 12.273 7.098 -2.997 737 HD2 LYS 99 1HD LYS 99 14.322 6.028 -2.323 738 HD3 LYS 99 2HD LYS 99 15.100 6.468 -3.845 739 HE2 LYS 99 1HE LYS 99 14.823 8.851 -3.253 740 HE3 LYS 99 2HE LYS 99 14.135 8.364 -1.705 741 HZ1 LYS 99 1HZ LYS 99 16.666 8.921 -1.944 742 HZ2 LYS 99 2HZ LYS 99 16.765 7.310 -2.449 743 HZ3 LYS 99 3HZ LYS 99 16.146 7.680 -0.919 744 HA PRO 100 HA PRO 100 9.700 2.750 -7.724 745 HB2 PRO 100 1HB PRO 100 10.876 2.942 -10.164 746 HB3 PRO 100 2HB PRO 100 9.471 3.907 -9.696 747 HG2 PRO 100 1HG PRO 100 12.364 4.672 -9.737 748 HG3 PRO 100 2HG PRO 100 10.953 5.603 -10.271 749 HD2 PRO 100 1HD PRO 100 12.158 6.026 -7.884 750 HD3 PRO 100 2HD PRO 100 10.415 6.257 -8.128 751 H LYS 101 H LYS 101 12.911 3.414 -6.949 752 HA LYS 101 HA LYS 101 14.004 0.945 -8.012 753 HB2 LYS 101 1HB LYS 101 15.393 2.804 -6.097 754 HB3 LYS 101 2HB LYS 101 16.111 1.710 -7.272 755 HG2 LYS 101 1HG LYS 101 14.447 4.082 -8.064 756 HG3 LYS 101 2HG LYS 101 16.195 4.165 -7.832 757 HD2 LYS 101 1HD LYS 101 16.126 3.735 -10.075 758 HD3 LYS 101 2HD LYS 101 16.149 2.081 -9.459 759 HE2 LYS 101 1HE LYS 101 13.528 2.430 -9.461 760 HE3 LYS 101 2HE LYS 101 13.926 3.628 -10.691 761 HZ1 LYS 101 1HZ LYS 101 13.538 1.026 -11.186 762 HZ2 LYS 101 2HZ LYS 101 15.221 1.064 -11.026 763 HZ3 LYS 101 3HZ LYS 101 14.458 2.050 -12.169 764 H MET 102 H MET 102 13.121 2.327 -4.883 765 HA MET 102 HA MET 102 13.735 -0.225 -3.580 766 HB2 MET 102 1HB MET 102 13.151 2.526 -2.488 767 HB3 MET 102 2HB MET 102 13.264 1.099 -1.467 768 HG2 MET 102 1HG MET 102 15.492 1.851 -3.317 769 HG3 MET 102 2HG MET 102 15.326 2.602 -1.731 770 HE1 MET 102 1HE MET 102 16.069 -0.146 0.771 771 HE2 MET 102 2HE MET 102 15.738 1.557 0.453 772 HE3 MET 102 3HE MET 102 14.448 0.363 0.298 773 H VAL 103 H VAL 103 11.089 2.023 -4.191 774 HA VAL 103 HA VAL 103 9.110 0.827 -2.632 775 HB VAL 103 HB VAL 103 8.815 2.269 -5.270 776 HG11 VAL 103 1HG1 VAL 103 6.804 1.093 -4.986 777 HG12 VAL 103 2HG1 VAL 103 6.787 1.371 -3.244 778 HG13 VAL 103 3HG1 VAL 103 6.476 2.706 -4.354 779 HG21 VAL 103 1HG2 VAL 103 8.740 4.240 -4.124 780 HG22 VAL 103 2HG2 VAL 103 8.128 3.489 -2.650 781 HG23 VAL 103 3HG2 VAL 103 9.834 3.342 -3.072 782 H MET 104 H MET 104 10.671 -0.333 -5.428 783 HA MET 104 HA MET 104 8.537 -1.994 -6.385 784 HB2 MET 104 1HB MET 104 10.377 -1.165 -7.838 785 HB3 MET 104 2HB MET 104 11.500 -2.187 -6.952 786 HG2 MET 104 1HG MET 104 9.097 -3.275 -8.384 787 HG3 MET 104 2HG MET 104 10.667 -3.074 -9.158 788 HE1 MET 104 1HE MET 104 12.216 -5.013 -9.373 789 HE2 MET 104 2HE MET 104 12.923 -4.145 -8.010 790 HE3 MET 104 3HE MET 104 12.779 -5.903 -7.958 791 H THR 105 H THR 105 11.569 -2.608 -4.621 792 HA THR 105 HA THR 105 11.108 -5.374 -4.252 793 HB THR 105 HB THR 105 13.348 -4.365 -4.049 794 HG1 THR 105 1HG THR 105 13.886 -5.505 -2.050 795 HG21 THR 105 1HG2 THR 105 13.356 -2.395 -2.936 796 HG22 THR 105 2HG2 THR 105 13.623 -3.426 -1.530 797 HG23 THR 105 3HG2 THR 105 11.999 -2.851 -1.907 798 H VAL 106 H VAL 106 9.852 -2.591 -2.695 799 HA VAL 106 HA VAL 106 9.249 -3.792 -0.172 800 HB VAL 106 HB VAL 106 8.227 -1.302 -1.528 801 HG11 VAL 106 1HG1 VAL 106 7.110 -2.748 0.725 802 HG12 VAL 106 2HG1 VAL 106 7.577 -1.101 1.153 803 HG13 VAL 106 3HG1 VAL 106 6.455 -1.383 -0.178 804 HG21 VAL 106 1HG2 VAL 106 10.339 -1.951 0.442 805 HG22 VAL 106 2HG2 VAL 106 10.307 -0.722 -0.822 806 HG23 VAL 106 3HG2 VAL 106 9.442 -0.453 0.691 807 H PHE 107 H PHE 107 7.427 -3.213 -3.153 808 HA PHE 107 HA PHE 107 4.988 -4.300 -2.131 809 HB2 PHE 107 1HB PHE 107 5.959 -3.428 -4.827 810 HB3 PHE 107 2HB PHE 107 4.476 -4.369 -4.704 811 HD1 PHE 107 1HD PHE 107 2.970 -3.430 -2.587 812 HD2 PHE 107 2HD PHE 107 5.606 -1.185 -5.063 813 HE1 PHE 107 1HE PHE 107 1.713 -1.381 -2.063 814 HE2 PHE 107 2HE PHE 107 4.354 0.867 -4.542 815 HZ PHE 107 HZ PHE 107 2.405 0.771 -3.039 816 H ALA 108 H ALA 108 7.707 -5.544 -3.971 817 HA ALA 108 HA ALA 108 6.515 -8.028 -4.671 818 HB1 ALA 108 1HB ALA 108 9.175 -8.559 -4.716 819 HB2 ALA 108 2HB ALA 108 8.287 -7.783 -6.028 820 HB3 ALA 108 3HB ALA 108 9.174 -6.801 -4.862 821 H CYS 109 H CYS 109 9.082 -7.306 -2.294 822 HA CYS 109 HA CYS 109 9.385 -9.685 -1.067 823 HB2 CYS 109 1HB CYS 109 10.031 -8.526 0.940 824 HB3 CYS 109 2HB CYS 109 10.532 -7.553 -0.438 825 HG CYS 109 HG CYS 109 8.511 -6.775 2.065 826 H LEU 110 H LEU 110 6.707 -7.442 -0.531 827 HA LEU 110 HA LEU 110 5.481 -8.809 1.590 828 HB2 LEU 110 1HB LEU 110 4.334 -7.027 -0.549 829 HB3 LEU 110 2HB LEU 110 3.404 -7.625 0.823 830 HG LEU 110 HG LEU 110 5.919 -6.084 1.307 831 HD11 LEU 110 1HD1 LEU 110 4.028 -5.014 -0.320 832 HD12 LEU 110 2HD1 LEU 110 5.075 -4.083 0.752 833 HD13 LEU 110 3HD1 LEU 110 3.444 -4.512 1.267 834 HD21 LEU 110 1HD2 LEU 110 5.127 -6.817 3.318 835 HD22 LEU 110 2HD2 LEU 110 3.446 -6.822 2.784 836 HD23 LEU 110 3HD2 LEU 110 4.240 -5.299 3.189 837 H MET 111 H MET 111 4.761 -8.919 -1.901 838 HA MET 111 HA MET 111 2.720 -10.722 -1.957 839 HB2 MET 111 1HB MET 111 3.640 -9.632 -3.958 840 HB3 MET 111 2HB MET 111 5.073 -10.647 -3.855 841 HG2 MET 111 1HG MET 111 3.399 -12.610 -4.004 842 HG3 MET 111 2HG MET 111 2.284 -11.391 -4.616 843 HE1 MET 111 1HE MET 111 2.587 -9.987 -6.556 844 HE2 MET 111 2HE MET 111 4.277 -9.483 -6.571 845 HE3 MET 111 3HE MET 111 3.599 -10.337 -7.958 846 H GLY 112 H GLY 112 6.175 -11.451 -1.663 847 HA2 GLY 112 1HA GLY 112 6.312 -14.134 -1.942 848 HA3 GLY 112 2HA GLY 112 7.182 -13.285 -0.673 849 H ARG 113 H ARG 113 5.098 -12.485 0.960 850 HA ARG 113 HA ARG 113 4.587 -14.892 2.389 851 HB2 ARG 113 1HB ARG 113 3.544 -12.081 2.771 852 HB3 ARG 113 2HB ARG 113 3.249 -13.403 3.893 853 HG2 ARG 113 1HG ARG 113 6.040 -12.640 3.140 854 HG3 ARG 113 2HG ARG 113 5.158 -11.749 4.382 855 HD2 ARG 113 1HD ARG 113 5.595 -14.732 4.395 856 HD3 ARG 113 2HD ARG 113 6.588 -13.573 5.278 857 HE ARG 113 HE ARG 113 3.882 -13.203 5.958 858 HH11 ARG 113 2HH1 ARG 113 6.495 -15.459 6.407 859 HH12 ARG 113 1HH1 ARG 113 5.906 -16.039 7.929 860 HH21 ARG 113 2HH2 ARG 113 3.096 -13.958 7.961 861 HH22 ARG 113 1HH2 ARG 113 3.972 -15.185 8.812 862 H GLY 114 H GLY 114 2.506 -12.646 0.576 863 HA2 GLY 114 1HA GLY 114 0.032 -13.733 1.017 864 HA3 GLY 114 2HA GLY 114 0.517 -13.029 -0.519 865 H MET 115 H MET 115 1.925 -14.571 -1.886 866 HA MET 115 HA MET 115 0.530 -16.593 -2.920 867 HB2 MET 115 1HB MET 115 3.469 -16.214 -2.600 868 HB3 MET 115 2HB MET 115 2.899 -17.756 -3.224 869 HG2 MET 115 1HG MET 115 1.497 -16.167 -4.812 870 HG3 MET 115 2HG MET 115 2.821 -15.062 -4.449 871 HE1 MET 115 1HE MET 115 3.924 -16.219 -7.964 872 HE2 MET 115 2HE MET 115 2.242 -16.007 -7.476 873 HE3 MET 115 3HE MET 115 3.473 -14.875 -6.914 874 H LYS 116 H LYS 116 -0.558 -18.171 -1.949 875 HA LYS 116 HA LYS 116 0.523 -19.452 0.434 876 HB2 LYS 116 1HB LYS 116 -2.154 -19.351 -0.890 877 HB3 LYS 116 2HB LYS 116 -1.789 -20.701 0.176 878 HG2 LYS 116 1HG LYS 116 -1.338 -17.899 1.105 879 HG3 LYS 116 2HG LYS 116 -2.960 -18.595 1.122 880 HD2 LYS 116 1HD LYS 116 -2.404 -20.181 2.709 881 HD3 LYS 116 2HD LYS 116 -0.683 -20.117 2.320 882 HE2 LYS 116 1HE LYS 116 -1.234 -19.093 4.507 883 HE3 LYS 116 2HE LYS 116 -0.472 -17.969 3.383 884 HZ1 LYS 116 1HZ LYS 116 -3.033 -17.822 4.618 885 HZ2 LYS 116 2HZ LYS 116 -3.166 -17.711 2.935 886 HZ3 LYS 116 3HZ LYS 116 -2.178 -16.628 3.779 887 H ARG 117 H ARG 117 0.673 -21.752 0.635 888 HA ARG 117 HA ARG 117 1.651 -22.997 -1.792 889 HB2 ARG 117 1HB ARG 117 2.648 -23.108 0.640 890 HB3 ARG 117 2HB ARG 117 1.494 -24.421 0.834 891 HG2 ARG 117 1HG ARG 117 2.550 -25.753 -0.749 892 HG3 ARG 117 2HG ARG 117 3.394 -24.384 -1.476 893 HD2 ARG 117 1HD ARG 117 5.116 -25.288 -0.288 894 HD3 ARG 117 2HD ARG 117 4.448 -24.220 0.946 895 HE ARG 117 HE ARG 117 3.199 -26.731 1.124 896 HH11 ARG 117 2HH1 ARG 117 6.281 -25.216 1.696 897 HH12 ARG 117 1HH1 ARG 117 6.739 -26.322 2.949 898 HH21 ARG 117 2HH2 ARG 117 3.790 -28.193 2.772 899 HH22 ARG 117 1HH2 ARG 117 5.321 -28.015 3.560 900 H VAL 118 H VAL 118 0.365 -24.110 -3.091 901 HA VAL 118 HA VAL 118 -2.193 -25.103 -2.129 902 HB VAL 118 HB VAL 118 -0.997 -25.071 -4.902 903 HG11 VAL 118 1HG1 VAL 118 -2.458 -26.897 -4.925 904 HG12 VAL 118 2HG1 VAL 118 -3.626 -26.091 -3.875 905 HG13 VAL 118 3HG1 VAL 118 -3.427 -25.560 -5.545 906 HG21 VAL 118 1HG2 VAL 118 -2.072 -23.116 -5.280 907 HG22 VAL 118 2HG2 VAL 118 -3.423 -23.528 -4.224 908 HG23 VAL 118 3HG2 VAL 118 -1.908 -22.950 -3.531 909 H SER 119 H SER 119 0.843 -26.349 -3.422 910 HA SER 119 HA SER 119 -0.074 -29.087 -3.363 911 HB2 SER 119 1HB SER 119 2.631 -27.854 -3.916 912 HB3 SER 119 2HB SER 119 2.322 -29.589 -3.965 913 HG SER 119 HG SER 119 2.123 -28.692 -6.033 914 H GLY 120 H GLY 120 0.855 -30.751 -2.055 915 HA2 GLY 120 1HA GLY 120 2.528 -30.083 0.184 916 HA3 GLY 120 2HA GLY 120 0.852 -30.339 0.645 917 HA PRO 121 HA PRO 121 1.766 -34.619 1.030 918 HB2 PRO 121 1HB PRO 121 -0.752 -35.618 0.842 919 HB3 PRO 121 2HB PRO 121 -0.160 -34.766 2.274 920 HG2 PRO 121 1HG PRO 121 -1.848 -33.743 0.023 921 HG3 PRO 121 2HG PRO 121 -2.019 -33.464 1.766 922 HD2 PRO 121 1HD PRO 121 -0.897 -31.645 0.102 923 HD3 PRO 121 2HD PRO 121 -0.388 -31.835 1.792 924 H SER 122 H SER 122 -0.271 -33.533 -1.645 925 HA SER 122 HA SER 122 -0.564 -35.688 -3.227 926 HB2 SER 122 1HB SER 122 -1.013 -33.150 -3.699 927 HB3 SER 122 2HB SER 122 0.553 -33.216 -4.509 928 HG SER 122 HG SER 122 -0.254 -34.529 -6.009 929 H SER 123 H SER 123 0.971 -37.277 -3.104 930 HA SER 123 HA SER 123 3.440 -36.763 -4.589 931 HB2 SER 123 1HB SER 123 4.194 -36.550 -2.325 932 HB3 SER 123 2HB SER 123 3.299 -37.986 -1.828 933 HG SER 123 HG SER 123 4.694 -39.214 -3.171 934 H GLY 124 H GLY 124 3.515 -38.174 -6.200 935 HA2 GLY 124 1HA GLY 124 3.848 -40.646 -6.581 936 HA3 GLY 124 2HA GLY 124 2.291 -40.830 -5.787 Start of MODEL 4 1 H1 GLY 1 H GLY 1 19.014 -4.060 -22.422 2 HA2 GLY 1 1HA GLY 1 17.652 -2.689 -20.394 3 HA3 GLY 1 2HA GLY 1 17.119 -4.190 -21.136 4 H SER 2 H SER 2 18.087 -6.204 -20.284 5 HA SER 2 HA SER 2 19.079 -6.005 -17.543 6 HB2 SER 2 1HB SER 2 16.470 -7.210 -18.373 7 HB3 SER 2 2HB SER 2 17.372 -7.963 -17.059 8 HG SER 2 HG SER 2 17.462 -5.571 -16.339 9 H SER 3 H SER 3 19.548 -8.321 -16.701 10 HA SER 3 HA SER 3 20.862 -9.792 -18.887 11 HB2 SER 3 1HB SER 3 21.597 -9.765 -15.950 12 HB3 SER 3 2HB SER 3 22.494 -10.554 -17.248 13 HG SER 3 HG SER 3 23.493 -8.724 -17.433 14 H GLY 4 H GLY 4 19.387 -11.317 -19.451 15 HA2 GLY 4 1HA GLY 4 18.413 -13.410 -19.286 16 HA3 GLY 4 2HA GLY 4 18.996 -13.509 -17.631 17 H SER 5 H SER 5 17.805 -12.102 -16.037 18 HA SER 5 HA SER 5 15.189 -12.836 -15.788 19 HB2 SER 5 1HB SER 5 14.934 -10.965 -14.189 20 HB3 SER 5 2HB SER 5 16.454 -11.827 -13.955 21 HG SER 5 HG SER 5 16.700 -9.533 -13.943 22 H SER 6 H SER 6 13.196 -11.532 -15.872 23 HA SER 6 HA SER 6 13.180 -9.773 -18.237 24 HB2 SER 6 1HB SER 6 11.261 -11.890 -17.321 25 HB3 SER 6 2HB SER 6 10.681 -10.548 -18.307 26 HG SER 6 HG SER 6 11.314 -11.868 -19.849 27 H GLY 7 H GLY 7 11.706 -8.005 -18.242 28 HA2 GLY 7 1HA GLY 7 11.584 -6.597 -15.802 29 HA3 GLY 7 2HA GLY 7 10.758 -6.146 -17.286 30 H ASN 8 H ASN 8 10.463 -7.602 -14.181 31 HA ASN 8 HA ASN 8 7.631 -8.211 -14.696 32 HB2 ASN 8 1HB ASN 8 7.904 -9.412 -12.395 33 HB3 ASN 8 2HB ASN 8 8.550 -10.173 -13.846 34 HD21 ASN 8 1HD2 ASN 8 9.444 -8.072 -11.151 35 HD22 ASN 8 2HD2 ASN 8 11.078 -8.619 -11.037 36 H ASP 9 H ASP 9 7.525 -5.740 -14.562 37 HA ASP 9 HA ASP 9 7.444 -4.791 -11.792 38 HB2 ASP 9 1HB ASP 9 7.365 -3.350 -14.443 39 HB3 ASP 9 2HB ASP 9 7.063 -2.541 -12.907 40 H ASP 10 H ASP 10 5.417 -4.444 -14.710 41 HA ASP 10 HA ASP 10 3.112 -3.523 -13.586 42 HB2 ASP 10 1HB ASP 10 3.197 -5.641 -15.743 43 HB3 ASP 10 2HB ASP 10 1.910 -4.474 -15.457 44 H ILE 11 H ILE 11 3.959 -6.962 -13.983 45 HA ILE 11 HA ILE 11 1.804 -8.223 -12.956 46 HB ILE 11 HB ILE 11 4.689 -8.857 -12.329 47 HG12 ILE 11 1HG1 ILE 11 3.976 -10.711 -14.104 48 HG13 ILE 11 2HG1 ILE 11 2.834 -9.460 -14.584 49 HG21 ILE 11 1HG2 ILE 11 3.951 -10.421 -10.938 50 HG22 ILE 11 2HG2 ILE 11 2.275 -10.018 -11.309 51 HG23 ILE 11 3HG2 ILE 11 3.138 -11.195 -12.298 52 HD11 ILE 11 1HD1 ILE 11 4.411 -8.330 -15.648 53 HD12 ILE 11 2HD1 ILE 11 5.489 -8.386 -14.254 54 HD13 ILE 11 3HD1 ILE 11 5.464 -9.722 -15.403 55 H ILE 12 H ILE 12 4.487 -6.993 -10.951 56 HA ILE 12 HA ILE 12 3.466 -7.609 -8.460 57 HB ILE 12 HB ILE 12 5.128 -5.224 -9.272 58 HG12 ILE 12 1HG1 ILE 12 6.037 -7.706 -7.829 59 HG13 ILE 12 2HG1 ILE 12 5.977 -7.636 -9.586 60 HG21 ILE 12 1HG2 ILE 12 5.751 -5.539 -6.699 61 HG22 ILE 12 2HG2 ILE 12 4.459 -4.469 -7.240 62 HG23 ILE 12 3HG2 ILE 12 4.075 -6.083 -6.643 63 HD11 ILE 12 1HD1 ILE 12 8.198 -7.136 -8.464 64 HD12 ILE 12 2HD1 ILE 12 7.636 -5.992 -9.684 65 HD13 ILE 12 3HD1 ILE 12 7.474 -5.605 -7.971 66 H VAL 13 H VAL 13 3.019 -4.591 -10.297 67 HA VAL 13 HA VAL 13 1.442 -3.214 -8.484 68 HB VAL 13 HB VAL 13 1.235 -3.165 -11.498 69 HG11 VAL 13 1HG1 VAL 13 -0.157 -1.689 -9.384 70 HG12 VAL 13 2HG1 VAL 13 0.566 -0.671 -10.632 71 HG13 VAL 13 3HG1 VAL 13 -0.589 -1.928 -11.077 72 HG21 VAL 13 1HG2 VAL 13 3.438 -2.583 -11.009 73 HG22 VAL 13 2HG2 VAL 13 2.615 -1.026 -11.107 74 HG23 VAL 13 3HG2 VAL 13 2.986 -1.730 -9.533 75 H ASN 14 H ASN 14 0.384 -5.388 -11.098 76 HA ASN 14 HA ASN 14 -2.356 -5.189 -10.719 77 HB2 ASN 14 1HB ASN 14 -0.564 -7.324 -11.809 78 HB3 ASN 14 2HB ASN 14 -2.271 -7.684 -11.565 79 HD21 ASN 14 1HD2 ASN 14 0.005 -5.625 -13.243 80 HD22 ASN 14 2HD2 ASN 14 -1.066 -5.153 -14.514 81 H TRP 15 H TRP 15 0.013 -7.171 -9.028 82 HA TRP 15 HA TRP 15 -1.831 -8.751 -7.580 83 HB2 TRP 15 1HB TRP 15 0.582 -9.302 -7.879 84 HB3 TRP 15 2HB TRP 15 0.984 -7.987 -6.777 85 HD1 TRP 15 HD TRP 15 -0.767 -11.424 -6.785 86 HE1 TRP 15 1HE TRP 15 -0.697 -12.367 -4.392 87 HE3 TRP 15 3HE TRP 15 1.244 -7.385 -4.380 88 HZ2 TRP 15 2HZ TRP 15 0.104 -11.513 -1.823 89 HZ3 TRP 15 3HZ TRP 15 1.630 -7.530 -1.954 90 HH2 TRP 15 HH TRP 15 1.071 -9.551 -0.704 91 H VAL 16 H VAL 16 -0.018 -5.823 -6.680 92 HA VAL 16 HA VAL 16 -0.879 -5.503 -4.087 93 HB VAL 16 HB VAL 16 -0.416 -3.333 -6.138 94 HG11 VAL 16 1HG1 VAL 16 -0.990 -3.254 -3.224 95 HG12 VAL 16 2HG1 VAL 16 0.192 -2.114 -3.871 96 HG13 VAL 16 3HG1 VAL 16 -1.457 -2.131 -4.500 97 HG21 VAL 16 1HG2 VAL 16 1.385 -4.767 -4.206 98 HG22 VAL 16 2HG2 VAL 16 1.570 -4.580 -5.950 99 HG23 VAL 16 3HG2 VAL 16 1.799 -3.193 -4.885 100 H ASN 17 H ASN 17 -2.548 -4.612 -7.070 101 HA ASN 17 HA ASN 17 -4.723 -3.307 -5.765 102 HB2 ASN 17 1HB ASN 17 -4.308 -4.341 -8.567 103 HB3 ASN 17 2HB ASN 17 -5.828 -3.612 -8.057 104 HD21 ASN 17 1HD2 ASN 17 -2.454 -2.808 -7.338 105 HD22 ASN 17 2HD2 ASN 17 -2.537 -1.183 -7.920 106 H ARG 18 H ARG 18 -4.193 -6.555 -7.058 107 HA ARG 18 HA ARG 18 -6.807 -7.524 -6.701 108 HB2 ARG 18 1HB ARG 18 -4.870 -8.579 -8.005 109 HB3 ARG 18 2HB ARG 18 -4.327 -9.214 -6.458 110 HG2 ARG 18 1HG ARG 18 -6.163 -10.616 -6.243 111 HG3 ARG 18 2HG ARG 18 -7.121 -9.697 -7.406 112 HD2 ARG 18 1HD ARG 18 -6.510 -11.637 -8.560 113 HD3 ARG 18 2HD ARG 18 -5.380 -10.411 -9.133 114 HE ARG 18 HE ARG 18 -3.660 -11.561 -8.131 115 HH11 ARG 18 2HH1 ARG 18 -6.713 -12.830 -7.041 116 HH12 ARG 18 1HH1 ARG 18 -6.009 -14.202 -6.251 117 HH21 ARG 18 2HH2 ARG 18 -2.721 -13.364 -7.096 118 HH22 ARG 18 1HH2 ARG 18 -3.739 -14.504 -6.283 119 H THR 19 H THR 19 -3.931 -7.904 -4.629 120 HA THR 19 HA THR 19 -5.064 -9.317 -2.552 121 HB THR 19 HB THR 19 -2.939 -7.172 -2.387 122 HG1 THR 19 1HG THR 19 -2.065 -8.771 -3.557 123 HG21 THR 19 1HG2 THR 19 -3.753 -9.282 -0.385 124 HG22 THR 19 2HG2 THR 19 -3.856 -7.533 -0.182 125 HG23 THR 19 3HG2 THR 19 -2.280 -8.318 -0.282 126 H LEU 20 H LEU 20 -4.900 -5.782 -2.923 127 HA LEU 20 HA LEU 20 -6.140 -5.064 -0.542 128 HB2 LEU 20 1HB LEU 20 -6.135 -3.739 -3.243 129 HB3 LEU 20 2HB LEU 20 -6.843 -2.995 -1.811 130 HG LEU 20 HG LEU 20 -3.992 -3.875 -1.730 131 HD11 LEU 20 1HD1 LEU 20 -3.215 -2.316 -3.122 132 HD12 LEU 20 2HD1 LEU 20 -4.351 -1.101 -2.536 133 HD13 LEU 20 3HD1 LEU 20 -4.853 -2.253 -3.774 134 HD21 LEU 20 1HD2 LEU 20 -4.448 -3.045 0.317 135 HD22 LEU 20 2HD2 LEU 20 -5.806 -2.076 -0.257 136 HD23 LEU 20 3HD2 LEU 20 -4.154 -1.497 -0.477 137 H SER 21 H SER 21 -7.577 -5.829 -3.690 138 HA SER 21 HA SER 21 -10.239 -5.242 -3.029 139 HB2 SER 21 1HB SER 21 -9.379 -5.635 -5.344 140 HB3 SER 21 2HB SER 21 -9.281 -7.356 -4.972 141 HG SER 21 HG SER 21 -11.652 -6.907 -4.329 142 H GLU 22 H GLU 22 -8.462 -8.321 -2.911 143 HA GLU 22 HA GLU 22 -10.361 -10.094 -2.177 144 HB2 GLU 22 1HB GLU 22 -7.543 -9.763 -1.193 145 HB3 GLU 22 2HB GLU 22 -8.552 -11.075 -0.601 146 HG2 GLU 22 1HG GLU 22 -8.931 -11.569 -3.121 147 HG3 GLU 22 2HG GLU 22 -7.468 -10.611 -3.340 148 H ALA 23 H ALA 23 -8.847 -7.714 -0.042 149 HA ALA 23 HA ALA 23 -10.439 -8.557 2.225 150 HB1 ALA 23 1HB ALA 23 -9.270 -6.181 2.950 151 HB2 ALA 23 2HB ALA 23 -8.584 -7.786 3.203 152 HB3 ALA 23 3HB ALA 23 -8.122 -6.843 1.786 153 H GLY 24 H GLY 24 -10.391 -5.940 -0.127 154 HA2 GLY 24 1HA GLY 24 -12.418 -4.859 -0.795 155 HA3 GLY 24 2HA GLY 24 -13.066 -5.159 0.811 156 H LYS 25 H LYS 25 -9.994 -3.704 -0.228 157 HA LYS 25 HA LYS 25 -10.515 -1.458 1.562 158 HB2 LYS 25 1HB LYS 25 -8.024 -2.200 0.014 159 HB3 LYS 25 2HB LYS 25 -8.150 -0.881 1.171 160 HG2 LYS 25 1HG LYS 25 -8.610 -3.773 1.863 161 HG3 LYS 25 2HG LYS 25 -7.068 -2.936 2.058 162 HD2 LYS 25 1HD LYS 25 -8.038 -1.399 3.631 163 HD3 LYS 25 2HD LYS 25 -9.653 -2.049 3.335 164 HE2 LYS 25 1HE LYS 25 -8.553 -4.302 4.085 165 HE3 LYS 25 2HE LYS 25 -7.367 -3.241 4.844 166 HZ1 LYS 25 1HZ LYS 25 -10.248 -3.497 5.420 167 HZ2 LYS 25 2HZ LYS 25 -9.413 -2.085 5.831 168 HZ3 LYS 25 3HZ LYS 25 -8.940 -3.570 6.490 169 H SER 26 H SER 26 -10.004 0.746 0.824 170 HA SER 26 HA SER 26 -10.927 1.136 -1.941 171 HB2 SER 26 1HB SER 26 -12.350 2.113 -0.163 172 HB3 SER 26 2HB SER 26 -10.982 3.087 0.375 173 HG SER 26 HG SER 26 -12.194 3.188 -2.191 174 H THR 27 H THR 27 -8.115 0.739 -0.722 175 HA THR 27 HA THR 27 -6.885 3.137 -1.916 176 HB THR 27 HB THR 27 -4.848 2.511 -0.571 177 HG1 THR 27 1HG THR 27 -5.914 0.294 -0.180 178 HG21 THR 27 1HG2 THR 27 -5.515 3.848 1.142 179 HG22 THR 27 2HG2 THR 27 -6.996 2.931 1.423 180 HG23 THR 27 3HG2 THR 27 -6.913 4.087 0.094 181 H SER 28 H SER 28 -5.012 2.862 -3.211 182 HA SER 28 HA SER 28 -3.911 0.357 -3.889 183 HB2 SER 28 1HB SER 28 -6.276 0.276 -4.938 184 HB3 SER 28 2HB SER 28 -5.638 1.429 -6.110 185 HG SER 28 HG SER 28 -4.616 -1.160 -5.551 186 H ILE 29 H ILE 29 -2.465 0.512 -5.820 187 HA ILE 29 HA ILE 29 -1.590 3.294 -6.251 188 HB ILE 29 HB ILE 29 0.731 2.269 -6.551 189 HG12 ILE 29 1HG1 ILE 29 -0.304 0.071 -4.786 190 HG13 ILE 29 2HG1 ILE 29 -0.355 -0.101 -6.537 191 HG21 ILE 29 1HG2 ILE 29 -0.684 2.498 -3.917 192 HG22 ILE 29 2HG2 ILE 29 1.037 2.131 -4.008 193 HG23 ILE 29 3HG2 ILE 29 0.420 3.638 -4.686 194 HD11 ILE 29 1HD1 ILE 29 1.631 -1.127 -5.940 195 HD12 ILE 29 2HD1 ILE 29 2.146 0.482 -6.447 196 HD13 ILE 29 3HD1 ILE 29 2.017 0.098 -4.731 197 H GLN 30 H GLN 30 -0.925 3.873 -8.296 198 HA GLN 30 HA GLN 30 -1.875 2.178 -10.439 199 HB2 GLN 30 1HB GLN 30 -0.755 4.977 -10.368 200 HB3 GLN 30 2HB GLN 30 -1.176 4.159 -11.866 201 HG2 GLN 30 1HG GLN 30 -3.050 4.811 -9.604 202 HG3 GLN 30 2HG GLN 30 -2.960 5.630 -11.162 203 HE21 GLN 30 1HE2 GLN 30 -5.278 4.442 -10.097 204 HE22 GLN 30 2HE2 GLN 30 -5.733 3.133 -11.128 205 H SER 31 H SER 31 1.182 3.309 -9.154 206 HA SER 31 HA SER 31 2.645 1.209 -10.347 207 HB2 SER 31 1HB SER 31 2.590 3.827 -11.778 208 HB3 SER 31 2HB SER 31 4.127 2.966 -11.687 209 HG SER 31 HG SER 31 3.022 2.311 -13.527 210 H PHE 32 H PHE 32 5.086 1.621 -10.098 211 HA PHE 32 HA PHE 32 5.576 2.339 -7.409 212 HB2 PHE 32 1HB PHE 32 7.586 1.946 -9.636 213 HB3 PHE 32 2HB PHE 32 7.923 1.898 -7.908 214 HD1 PHE 32 1HD PHE 32 6.045 0.226 -6.701 215 HD2 PHE 32 2HD PHE 32 7.700 -0.118 -10.607 216 HE1 PHE 32 1HE PHE 32 5.586 -2.191 -6.679 217 HE2 PHE 32 2HE PHE 32 7.243 -2.535 -10.592 218 HZ PHE 32 HZ PHE 32 6.184 -3.575 -8.626 219 H LYS 33 H LYS 33 5.224 4.231 -10.152 220 HA LYS 33 HA LYS 33 6.775 6.432 -8.954 221 HB2 LYS 33 1HB LYS 33 6.110 5.798 -11.821 222 HB3 LYS 33 2HB LYS 33 6.605 7.412 -11.326 223 HG2 LYS 33 1HG LYS 33 8.734 6.629 -10.617 224 HG3 LYS 33 2HG LYS 33 8.241 4.944 -10.800 225 HD2 LYS 33 1HD LYS 33 7.805 5.657 -13.282 226 HD3 LYS 33 2HD LYS 33 8.926 6.964 -12.891 227 HE2 LYS 33 1HE LYS 33 10.326 5.314 -13.727 228 HE3 LYS 33 2HE LYS 33 10.441 5.079 -11.984 229 HZ1 LYS 33 1HZ LYS 33 10.121 2.952 -12.783 230 HZ2 LYS 33 2HZ LYS 33 9.028 3.435 -13.980 231 HZ3 LYS 33 3HZ LYS 33 8.547 3.403 -12.358 232 H ASP 34 H ASP 34 3.983 5.528 -8.397 233 HA ASP 34 HA ASP 34 2.381 7.735 -9.423 234 HB2 ASP 34 1HB ASP 34 1.587 5.285 -9.176 235 HB3 ASP 34 2HB ASP 34 1.423 5.665 -7.464 236 H LYS 35 H LYS 35 1.154 9.111 -7.993 237 HA LYS 35 HA LYS 35 2.721 9.877 -5.660 238 HB2 LYS 35 1HB LYS 35 0.326 11.269 -6.867 239 HB3 LYS 35 2HB LYS 35 1.454 11.938 -5.694 240 HG2 LYS 35 1HG LYS 35 2.388 11.016 -8.385 241 HG3 LYS 35 2HG LYS 35 1.692 12.621 -8.153 242 HD2 LYS 35 1HD LYS 35 3.878 11.687 -6.344 243 HD3 LYS 35 2HD LYS 35 4.277 12.260 -7.966 244 HE2 LYS 35 1HE LYS 35 2.514 13.884 -6.173 245 HE3 LYS 35 2HE LYS 35 4.266 13.935 -5.982 246 HZ1 LYS 35 1HZ LYS 35 2.773 15.409 -7.743 247 HZ2 LYS 35 2HZ LYS 35 3.498 14.225 -8.710 248 HZ3 LYS 35 3HZ LYS 35 4.457 15.238 -7.752 249 H THR 36 H THR 36 0.953 7.479 -5.713 250 HA THR 36 HA THR 36 -0.977 8.236 -3.625 251 HB THR 36 HB THR 36 -2.101 6.097 -4.081 252 HG1 THR 36 1HG THR 36 0.125 5.766 -5.754 253 HG21 THR 36 1HG2 THR 36 -2.721 8.159 -5.331 254 HG22 THR 36 2HG2 THR 36 -3.050 6.673 -6.222 255 HG23 THR 36 3HG2 THR 36 -1.640 7.651 -6.628 256 H ILE 37 H ILE 37 2.055 6.965 -3.978 257 HA ILE 37 HA ILE 37 1.844 5.014 -1.825 258 HB ILE 37 HB ILE 37 4.319 5.900 -3.309 259 HG12 ILE 37 1HG1 ILE 37 2.718 3.395 -3.820 260 HG13 ILE 37 2HG1 ILE 37 2.448 4.883 -4.721 261 HG21 ILE 37 1HG2 ILE 37 5.379 3.988 -2.409 262 HG22 ILE 37 2HG2 ILE 37 4.558 4.773 -1.061 263 HG23 ILE 37 3HG2 ILE 37 3.855 3.337 -1.805 264 HD11 ILE 37 1HD1 ILE 37 4.054 4.291 -6.113 265 HD12 ILE 37 2HD1 ILE 37 5.216 4.371 -4.788 266 HD13 ILE 37 3HD1 ILE 37 4.393 2.854 -5.149 267 H SER 38 H SER 38 3.057 8.244 -2.419 268 HA SER 38 HA SER 38 4.688 8.598 -0.197 269 HB2 SER 38 1HB SER 38 4.425 10.953 -0.531 270 HB3 SER 38 2HB SER 38 4.361 10.204 -2.126 271 HG SER 38 HG SER 38 2.192 10.521 -2.197 272 H SER 39 H SER 39 1.247 8.375 -0.417 273 HA SER 39 HA SER 39 0.706 9.607 2.122 274 HB2 SER 39 1HB SER 39 -1.590 8.904 1.763 275 HB3 SER 39 2HB SER 39 -0.950 9.566 0.259 276 HG SER 39 HG SER 39 -1.958 7.675 -0.266 277 H SER 40 H SER 40 1.624 6.482 1.031 278 HA SER 40 HA SER 40 2.004 4.508 2.095 279 HB2 SER 40 1HB SER 40 1.820 6.123 4.647 280 HB3 SER 40 2HB SER 40 2.634 4.575 4.428 281 HG SER 40 HG SER 40 3.941 5.767 2.810 282 H LEU 41 H LEU 41 -0.765 5.514 1.632 283 HA LEU 41 HA LEU 41 -2.279 4.284 3.792 284 HB2 LEU 41 1HB LEU 41 -3.247 5.561 1.239 285 HB3 LEU 41 2HB LEU 41 -4.247 5.076 2.607 286 HG LEU 41 HG LEU 41 -2.132 7.224 2.724 287 HD11 LEU 41 1HD1 LEU 41 -4.834 8.154 3.004 288 HD12 LEU 41 2HD1 LEU 41 -4.625 7.332 1.458 289 HD13 LEU 41 3HD1 LEU 41 -3.576 8.683 1.887 290 HD21 LEU 41 1HD2 LEU 41 -3.122 5.823 4.786 291 HD22 LEU 41 2HD2 LEU 41 -4.364 7.069 4.653 292 HD23 LEU 41 3HD2 LEU 41 -2.677 7.526 4.897 293 H ALA 42 H ALA 42 -1.312 3.653 0.497 294 HA ALA 42 HA ALA 42 -3.083 1.417 0.139 295 HB1 ALA 42 1HB ALA 42 -2.410 2.666 -1.800 296 HB2 ALA 42 2HB ALA 42 -0.707 2.359 -1.459 297 HB3 ALA 42 3HB ALA 42 -1.767 1.029 -1.928 298 H VAL 43 H VAL 43 0.354 1.851 0.881 299 HA VAL 43 HA VAL 43 1.165 -0.808 0.791 300 HB VAL 43 HB VAL 43 2.163 1.325 2.685 301 HG11 VAL 43 1HG1 VAL 43 3.107 -0.613 3.500 302 HG12 VAL 43 2HG1 VAL 43 3.169 -1.378 1.910 303 HG13 VAL 43 3HG1 VAL 43 4.316 -0.103 2.322 304 HG21 VAL 43 1HG2 VAL 43 2.185 1.961 0.274 305 HG22 VAL 43 2HG2 VAL 43 3.785 1.885 1.012 306 HG23 VAL 43 3HG2 VAL 43 3.233 0.575 -0.032 307 H VAL 44 H VAL 44 -0.031 1.056 3.580 308 HA VAL 44 HA VAL 44 0.090 -1.032 5.451 309 HB VAL 44 HB VAL 44 -1.841 1.291 5.433 310 HG11 VAL 44 1HG1 VAL 44 -2.404 0.787 7.565 311 HG12 VAL 44 2HG1 VAL 44 -1.962 -0.844 7.055 312 HG13 VAL 44 3HG1 VAL 44 -0.808 0.145 7.951 313 HG21 VAL 44 1HG2 VAL 44 0.718 1.718 5.258 314 HG22 VAL 44 2HG2 VAL 44 -0.236 2.621 6.435 315 HG23 VAL 44 3HG2 VAL 44 0.731 1.241 6.956 316 H ASP 45 H ASP 45 -2.664 0.160 3.531 317 HA ASP 45 HA ASP 45 -4.605 -1.595 4.427 318 HB2 ASP 45 1HB ASP 45 -4.171 -0.162 1.832 319 HB3 ASP 45 2HB ASP 45 -5.486 -1.326 1.969 320 H LEU 46 H LEU 46 -1.924 -2.176 2.301 321 HA LEU 46 HA LEU 46 -2.872 -4.561 1.101 322 HB2 LEU 46 1HB LEU 46 -0.975 -3.148 0.285 323 HB3 LEU 46 2HB LEU 46 -0.007 -3.783 1.614 324 HG LEU 46 HG LEU 46 -0.352 -6.074 0.647 325 HD11 LEU 46 1HD1 LEU 46 -2.253 -5.882 -0.696 326 HD12 LEU 46 2HD1 LEU 46 -0.921 -6.007 -1.845 327 HD13 LEU 46 3HD1 LEU 46 -1.649 -4.437 -1.506 328 HD21 LEU 46 1HD2 LEU 46 1.505 -4.159 0.066 329 HD22 LEU 46 2HD2 LEU 46 0.948 -4.630 -1.540 330 HD23 LEU 46 3HD2 LEU 46 1.593 -5.847 -0.438 331 H ILE 47 H ILE 47 -0.557 -4.049 3.767 332 HA ILE 47 HA ILE 47 -0.026 -6.627 4.480 333 HB ILE 47 HB ILE 47 -0.480 -4.279 6.321 334 HG12 ILE 47 1HG1 ILE 47 2.186 -5.446 5.628 335 HG13 ILE 47 2HG1 ILE 47 1.388 -4.395 4.463 336 HG21 ILE 47 1HG2 ILE 47 0.146 -7.083 6.885 337 HG22 ILE 47 2HG2 ILE 47 1.249 -5.927 7.629 338 HG23 ILE 47 3HG2 ILE 47 -0.482 -5.823 7.947 339 HD11 ILE 47 1HD1 ILE 47 1.479 -3.350 7.198 340 HD12 ILE 47 2HD1 ILE 47 3.048 -3.547 6.416 341 HD13 ILE 47 3HD1 ILE 47 1.804 -2.552 5.660 342 H ASP 48 H ASP 48 -2.743 -4.681 5.717 343 HA ASP 48 HA ASP 48 -3.972 -6.355 7.426 344 HB2 ASP 48 1HB ASP 48 -4.844 -4.132 6.733 345 HB3 ASP 48 2HB ASP 48 -5.435 -4.859 5.241 346 H ALA 49 H ALA 49 -4.536 -6.456 3.905 347 HA ALA 49 HA ALA 49 -6.236 -8.574 3.712 348 HB1 ALA 49 1HB ALA 49 -4.630 -7.143 1.944 349 HB2 ALA 49 2HB ALA 49 -4.190 -8.833 1.695 350 HB3 ALA 49 3HB ALA 49 -5.872 -8.326 1.533 351 H ILE 50 H ILE 50 -2.684 -8.898 3.524 352 HA ILE 50 HA ILE 50 -2.579 -11.672 3.565 353 HB ILE 50 HB ILE 50 -0.554 -9.767 4.745 354 HG12 ILE 50 1HG1 ILE 50 -0.345 -11.009 2.028 355 HG13 ILE 50 2HG1 ILE 50 -1.346 -9.578 2.246 356 HG21 ILE 50 1HG2 ILE 50 -0.653 -12.567 4.812 357 HG22 ILE 50 2HG2 ILE 50 0.535 -12.151 3.578 358 HG23 ILE 50 3HG2 ILE 50 0.713 -11.528 5.218 359 HD11 ILE 50 1HD1 ILE 50 0.875 -8.982 1.488 360 HD12 ILE 50 2HD1 ILE 50 0.588 -8.367 3.116 361 HD13 ILE 50 3HD1 ILE 50 1.587 -9.801 2.879 362 H GLN 51 H GLN 51 -1.849 -9.566 6.353 363 HA GLN 51 HA GLN 51 -2.959 -11.666 8.097 364 HB2 GLN 51 1HB GLN 51 -0.556 -11.614 8.358 365 HB3 GLN 51 2HB GLN 51 -0.579 -9.870 8.585 366 HG2 GLN 51 1HG GLN 51 -0.393 -10.565 10.745 367 HG3 GLN 51 2HG GLN 51 -2.147 -10.467 10.597 368 HE21 GLN 51 1HE2 GLN 51 0.325 -12.329 11.673 369 HE22 GLN 51 2HE2 GLN 51 -0.449 -13.873 11.675 370 HA PRO 52 HA PRO 52 -5.431 -7.837 8.770 371 HB2 PRO 52 1HB PRO 52 -7.779 -9.158 9.109 372 HB3 PRO 52 2HB PRO 52 -7.151 -8.708 7.519 373 HG2 PRO 52 1HG PRO 52 -7.017 -11.344 8.931 374 HG3 PRO 52 2HG PRO 52 -7.380 -11.004 7.229 375 HD2 PRO 52 1HD PRO 52 -4.943 -11.844 8.060 376 HD3 PRO 52 2HD PRO 52 -5.157 -10.754 6.675 377 H GLY 53 H GLY 53 -6.774 -7.237 10.651 378 HA2 GLY 53 1HA GLY 53 -7.455 -7.445 12.882 379 HA3 GLY 53 2HA GLY 53 -6.603 -8.979 12.976 380 H CYS 54 H CYS 54 -4.194 -7.600 11.751 381 HA CYS 54 HA CYS 54 -3.088 -6.705 14.285 382 HB2 CYS 54 1HB CYS 54 -0.992 -7.138 13.399 383 HB3 CYS 54 2HB CYS 54 -1.983 -8.308 12.535 384 HG CYS 54 HG CYS 54 -2.137 -6.811 10.191 385 H ILE 55 H ILE 55 -3.735 -5.442 11.058 386 HA ILE 55 HA ILE 55 -2.467 -2.945 11.386 387 HB ILE 55 HB ILE 55 -4.815 -3.640 9.617 388 HG12 ILE 55 1HG1 ILE 55 -2.766 -5.028 9.271 389 HG13 ILE 55 2HG1 ILE 55 -3.190 -4.041 7.877 390 HG21 ILE 55 1HG2 ILE 55 -4.597 -1.631 8.563 391 HG22 ILE 55 2HG2 ILE 55 -4.102 -1.155 10.187 392 HG23 ILE 55 3HG2 ILE 55 -2.884 -1.484 8.955 393 HD11 ILE 55 1HD1 ILE 55 -1.224 -3.025 7.914 394 HD12 ILE 55 2HD1 ILE 55 -1.376 -2.647 9.630 395 HD13 ILE 55 3HD1 ILE 55 -0.722 -4.204 9.125 396 H ASN 56 H ASN 56 -3.081 -1.103 12.348 397 HA ASN 56 HA ASN 56 -5.849 -0.907 13.334 398 HB2 ASN 56 1HB ASN 56 -4.077 -1.452 15.103 399 HB3 ASN 56 2HB ASN 56 -3.475 0.182 14.840 400 HD21 ASN 56 1HD2 ASN 56 -4.023 0.256 17.181 401 HD22 ASN 56 2HD2 ASN 56 -5.625 0.741 17.609 402 H TYR 57 H TYR 57 -6.363 0.389 11.521 403 HA TYR 57 HA TYR 57 -5.027 2.593 10.564 404 HB2 TYR 57 1HB TYR 57 -8.001 2.115 10.802 405 HB3 TYR 57 2HB TYR 57 -7.302 3.449 9.892 406 HD1 TYR 57 2HD TYR 57 -5.152 2.395 8.393 407 HD2 TYR 57 1HD TYR 57 -8.818 0.484 9.399 408 HE1 TYR 57 2HE TYR 57 -4.926 0.938 6.425 409 HE2 TYR 57 1HE TYR 57 -8.602 -0.979 7.434 410 HH TYR 57 HH TYR 57 -5.999 -1.627 5.902 411 H ASP 58 H ASP 58 -7.105 2.348 13.391 412 HA ASP 58 HA ASP 58 -7.722 4.852 14.102 413 HB2 ASP 58 1HB ASP 58 -8.010 2.787 15.512 414 HB3 ASP 58 2HB ASP 58 -6.338 2.982 16.031 415 H LEU 59 H LEU 59 -4.470 3.482 14.266 416 HA LEU 59 HA LEU 59 -3.366 5.971 15.272 417 HB2 LEU 59 1HB LEU 59 -1.861 3.530 14.365 418 HB3 LEU 59 2HB LEU 59 -1.289 4.820 15.420 419 HG LEU 59 HG LEU 59 -3.495 2.911 16.173 420 HD11 LEU 59 1HD1 LEU 59 -1.752 1.830 17.589 421 HD12 LEU 59 2HD1 LEU 59 -0.536 2.761 16.714 422 HD13 LEU 59 3HD1 LEU 59 -1.533 1.586 15.856 423 HD21 LEU 59 1HD2 LEU 59 -1.795 4.354 18.128 424 HD22 LEU 59 2HD2 LEU 59 -3.494 3.891 18.225 425 HD23 LEU 59 3HD2 LEU 59 -3.013 5.286 17.259 426 H VAL 60 H VAL 60 -3.405 4.089 12.292 427 HA VAL 60 HA VAL 60 -1.524 5.608 10.852 428 HB VAL 60 HB VAL 60 -3.889 4.058 9.785 429 HG11 VAL 60 1HG1 VAL 60 -3.302 4.810 7.781 430 HG12 VAL 60 2HG1 VAL 60 -1.960 5.720 8.479 431 HG13 VAL 60 3HG1 VAL 60 -1.727 4.043 7.983 432 HG21 VAL 60 1HG2 VAL 60 -2.075 2.911 11.258 433 HG22 VAL 60 2HG2 VAL 60 -2.577 2.155 9.746 434 HG23 VAL 60 3HG2 VAL 60 -1.069 3.067 9.818 435 H LYS 61 H LYS 61 -1.667 7.444 9.679 436 HA LYS 61 HA LYS 61 -3.999 9.108 10.080 437 HB2 LYS 61 1HB LYS 61 -1.228 9.515 9.059 438 HB3 LYS 61 2HB LYS 61 -2.465 10.661 8.561 439 HG2 LYS 61 1HG LYS 61 -2.010 9.977 11.445 440 HG3 LYS 61 2HG LYS 61 -1.088 11.236 10.620 441 HD2 LYS 61 1HD LYS 61 -3.275 12.288 9.983 442 HD3 LYS 61 2HD LYS 61 -4.071 11.119 11.040 443 HE2 LYS 61 1HE LYS 61 -1.940 13.066 11.915 444 HE3 LYS 61 2HE LYS 61 -3.673 13.314 12.120 445 HZ1 LYS 61 1HZ LYS 61 -3.218 10.844 13.184 446 HZ2 LYS 61 2HZ LYS 61 -3.428 12.279 14.056 447 HZ3 LYS 61 3HZ LYS 61 -1.870 11.738 13.680 448 H SER 62 H SER 62 -4.775 10.440 8.162 449 HA SER 62 HA SER 62 -4.615 9.240 5.562 450 HB2 SER 62 1HB SER 62 -6.970 8.607 5.365 451 HB3 SER 62 2HB SER 62 -6.202 7.701 6.668 452 HG SER 62 HG SER 62 -8.205 9.597 6.768 453 H GLY 63 H GLY 63 -5.639 10.498 3.931 454 HA2 GLY 63 1HA GLY 63 -6.905 12.361 3.177 455 HA3 GLY 63 2HA GLY 63 -6.835 13.032 4.799 456 H ASN 64 H ASN 64 -5.796 14.908 4.715 457 HA ASN 64 HA ASN 64 -3.715 15.387 2.772 458 HB2 ASN 64 1HB ASN 64 -4.851 17.125 4.973 459 HB3 ASN 64 2HB ASN 64 -3.645 17.661 3.807 460 HD21 ASN 64 1HD2 ASN 64 -6.719 18.003 4.486 461 HD22 ASN 64 2HD2 ASN 64 -7.411 18.117 2.906 462 H LEU 65 H LEU 65 -2.017 14.036 3.340 463 HA LEU 65 HA LEU 65 -0.880 14.255 6.014 464 HB2 LEU 65 1HB LEU 65 0.142 12.615 3.708 465 HB3 LEU 65 2HB LEU 65 0.520 12.422 5.418 466 HG LEU 65 HG LEU 65 -2.240 11.983 4.301 467 HD11 LEU 65 1HD1 LEU 65 -1.590 10.070 3.397 468 HD12 LEU 65 2HD1 LEU 65 -0.988 9.534 4.965 469 HD13 LEU 65 3HD1 LEU 65 0.080 10.400 3.860 470 HD21 LEU 65 1HD2 LEU 65 -2.522 10.687 6.368 471 HD22 LEU 65 2HD2 LEU 65 -2.128 12.375 6.694 472 HD23 LEU 65 3HD2 LEU 65 -0.888 11.131 6.860 473 H THR 66 H THR 66 0.389 15.952 6.370 474 HA THR 66 HA THR 66 1.749 17.376 4.322 475 HB THR 66 HB THR 66 2.752 18.688 6.109 476 HG1 THR 66 1HG THR 66 1.704 16.646 7.798 477 HG21 THR 66 1HG2 THR 66 0.486 19.006 7.490 478 HG22 THR 66 2HG2 THR 66 -0.143 18.044 6.152 479 HG23 THR 66 3HG2 THR 66 0.673 19.574 5.831 480 H GLU 67 H GLU 67 4.161 17.849 4.532 481 HA GLU 67 HA GLU 67 5.693 15.756 3.778 482 HB2 GLU 67 1HB GLU 67 7.666 17.033 4.444 483 HB3 GLU 67 2HB GLU 67 6.460 18.083 3.713 484 HG2 GLU 67 1HG GLU 67 5.741 18.763 5.979 485 HG3 GLU 67 2HG GLU 67 7.050 17.792 6.649 486 H ASP 68 H ASP 68 4.693 16.500 7.015 487 HA ASP 68 HA ASP 68 6.559 14.640 8.228 488 HB2 ASP 68 1HB ASP 68 5.679 16.833 9.273 489 HB3 ASP 68 2HB ASP 68 4.219 15.913 9.627 490 H ASP 69 H ASP 69 3.000 14.927 8.220 491 HA ASP 69 HA ASP 69 2.266 12.555 9.285 492 HB2 ASP 69 1HB ASP 69 1.067 13.998 6.921 493 HB3 ASP 69 2HB ASP 69 0.303 12.596 7.666 494 H LYS 70 H LYS 70 2.884 13.008 5.801 495 HA LYS 70 HA LYS 70 2.550 10.486 4.861 496 HB2 LYS 70 1HB LYS 70 4.614 12.558 4.159 497 HB3 LYS 70 2HB LYS 70 4.539 11.022 3.306 498 HG2 LYS 70 1HG LYS 70 2.209 11.509 2.683 499 HG3 LYS 70 2HG LYS 70 2.343 13.076 3.485 500 HD2 LYS 70 1HD LYS 70 3.989 13.819 1.938 501 HD3 LYS 70 2HD LYS 70 4.180 12.199 1.265 502 HE2 LYS 70 1HE LYS 70 1.944 12.277 0.350 503 HE3 LYS 70 2HE LYS 70 1.653 13.838 1.115 504 HZ1 LYS 70 1HZ LYS 70 3.473 14.750 -0.249 505 HZ2 LYS 70 2HZ LYS 70 2.186 14.171 -1.181 506 HZ3 LYS 70 3HZ LYS 70 3.607 13.263 -1.045 507 H HIS 71 H HIS 71 5.615 11.718 6.205 508 HA HIS 71 HA HIS 71 7.071 9.358 6.064 509 HB2 HIS 71 1HB HIS 71 7.230 11.824 7.725 510 HB3 HIS 71 2HB HIS 71 8.175 10.432 8.246 511 HD1 HIS 71 1HD HIS 71 9.605 9.369 6.030 512 HD2 HIS 71 2HD HIS 71 8.667 13.416 6.100 513 HE1 HIS 71 1HE HIS 71 11.214 10.460 4.434 514 HE2 HIS 71 2HE HIS 71 10.683 12.919 4.558 515 H ASN 72 H ASN 72 5.087 10.584 8.750 516 HA ASN 72 HA ASN 72 5.535 8.573 10.592 517 HB2 ASN 72 1HB ASN 72 3.267 10.436 10.058 518 HB3 ASN 72 2HB ASN 72 2.999 9.110 11.186 519 HD21 ASN 72 1HD2 ASN 72 4.253 12.206 10.763 520 HD22 ASN 72 2HD2 ASN 72 5.028 12.374 12.298 521 H ASN 73 H ASN 73 2.884 8.726 8.210 522 HA ASN 73 HA ASN 73 1.690 6.299 8.722 523 HB2 ASN 73 1HB ASN 73 2.076 7.588 6.011 524 HB3 ASN 73 2HB ASN 73 0.878 6.358 6.401 525 HD21 ASN 73 1HD2 ASN 73 -0.979 7.426 6.160 526 HD22 ASN 73 2HD2 ASN 73 -1.412 8.866 7.011 527 H ALA 74 H ALA 74 4.376 6.947 6.485 528 HA ALA 74 HA ALA 74 4.732 4.395 5.470 529 HB1 ALA 74 1HB ALA 74 7.304 5.372 5.683 530 HB2 ALA 74 2HB ALA 74 6.190 5.648 4.343 531 HB3 ALA 74 3HB ALA 74 6.308 6.828 5.648 532 H LYS 75 H LYS 75 6.698 5.815 8.091 533 HA LYS 75 HA LYS 75 8.140 3.729 8.942 534 HB2 LYS 75 1HB LYS 75 6.765 5.914 10.423 535 HB3 LYS 75 2HB LYS 75 7.464 4.607 11.371 536 HG2 LYS 75 1HG LYS 75 9.642 5.031 10.441 537 HG3 LYS 75 2HG LYS 75 8.975 6.244 9.345 538 HD2 LYS 75 1HD LYS 75 8.505 6.585 12.262 539 HD3 LYS 75 2HD LYS 75 10.125 6.910 11.639 540 HE2 LYS 75 1HE LYS 75 7.667 8.103 10.391 541 HE3 LYS 75 2HE LYS 75 8.484 8.867 11.753 542 HZ1 LYS 75 1HZ LYS 75 9.407 9.857 9.875 543 HZ2 LYS 75 2HZ LYS 75 9.515 8.400 9.024 544 HZ3 LYS 75 3HZ LYS 75 10.560 8.701 10.319 545 H TYR 76 H TYR 76 4.737 4.243 9.829 546 HA TYR 76 HA TYR 76 4.444 1.990 11.461 547 HB2 TYR 76 1HB TYR 76 2.836 3.981 11.076 548 HB3 TYR 76 2HB TYR 76 2.218 3.032 9.728 549 HD1 TYR 76 1HD TYR 76 2.749 2.974 13.400 550 HD2 TYR 76 2HD TYR 76 0.676 1.292 10.088 551 HE1 TYR 76 1HE TYR 76 1.291 1.739 14.948 552 HE2 TYR 76 2HE TYR 76 -0.790 0.053 11.627 553 HH TYR 76 HH TYR 76 -0.285 0.160 15.129 554 H ALA 77 H ALA 77 3.385 2.365 8.073 555 HA ALA 77 HA ALA 77 2.622 -0.229 7.571 556 HB1 ALA 77 1HB ALA 77 4.085 1.122 5.386 557 HB2 ALA 77 2HB ALA 77 2.486 0.378 5.394 558 HB3 ALA 77 3HB ALA 77 2.712 1.987 6.079 559 H VAL 78 H VAL 78 5.800 0.994 8.063 560 HA VAL 78 HA VAL 78 7.150 -1.211 6.777 561 HB VAL 78 HB VAL 78 8.217 0.953 8.596 562 HG11 VAL 78 1HG1 VAL 78 9.704 -0.888 8.754 563 HG12 VAL 78 2HG1 VAL 78 9.617 -1.194 7.018 564 HG13 VAL 78 3HG1 VAL 78 10.430 0.250 7.620 565 HG21 VAL 78 1HG2 VAL 78 9.264 1.599 6.281 566 HG22 VAL 78 2HG2 VAL 78 7.888 0.700 5.642 567 HG23 VAL 78 3HG2 VAL 78 7.621 2.093 6.690 568 H SER 79 H SER 79 6.728 -0.099 10.135 569 HA SER 79 HA SER 79 8.035 -2.234 11.377 570 HB2 SER 79 1HB SER 79 7.471 -0.198 12.591 571 HB3 SER 79 2HB SER 79 5.750 -0.530 12.401 572 HG SER 79 HG SER 79 6.010 -2.363 13.697 573 H MET 80 H MET 80 4.668 -1.856 10.379 574 HA MET 80 HA MET 80 3.611 -4.146 11.580 575 HB2 MET 80 1HB MET 80 2.818 -2.798 8.993 576 HB3 MET 80 2HB MET 80 1.853 -4.011 9.825 577 HG2 MET 80 1HG MET 80 2.583 -1.272 10.829 578 HG3 MET 80 2HG MET 80 0.991 -1.837 10.328 579 HE1 MET 80 1HE MET 80 -0.403 -3.898 12.916 580 HE2 MET 80 2HE MET 80 -0.008 -3.874 11.197 581 HE3 MET 80 3HE MET 80 0.889 -4.925 12.294 582 H ALA 81 H ALA 81 4.659 -3.761 8.188 583 HA ALA 81 HA ALA 81 4.426 -6.428 7.440 584 HB1 ALA 81 1HB ALA 81 6.545 -5.527 5.939 585 HB2 ALA 81 2HB ALA 81 4.837 -5.329 5.541 586 HB3 ALA 81 3HB ALA 81 5.704 -4.038 6.374 587 H ARG 82 H ARG 82 7.434 -4.731 8.353 588 HA ARG 82 HA ARG 82 9.111 -6.933 8.388 589 HB2 ARG 82 1HB ARG 82 10.301 -4.988 8.598 590 HB3 ARG 82 2HB ARG 82 9.130 -4.264 9.693 591 HG2 ARG 82 1HG ARG 82 9.952 -5.703 11.503 592 HG3 ARG 82 2HG ARG 82 11.148 -6.384 10.399 593 HD2 ARG 82 1HD ARG 82 10.944 -3.449 11.046 594 HD3 ARG 82 2HD ARG 82 12.000 -4.569 11.907 595 HE ARG 82 HE ARG 82 13.403 -4.626 10.076 596 HH11 ARG 82 2HH1 ARG 82 10.457 -2.951 9.281 597 HH12 ARG 82 1HH1 ARG 82 11.060 -2.333 7.779 598 HH21 ARG 82 2HH2 ARG 82 14.209 -3.818 8.101 599 HH22 ARG 82 1HH2 ARG 82 13.194 -2.827 7.109 600 H ARG 83 H ARG 83 6.806 -5.846 10.780 601 HA ARG 83 HA ARG 83 7.744 -7.466 12.919 602 HB2 ARG 83 1HB ARG 83 6.355 -5.546 13.385 603 HB3 ARG 83 2HB ARG 83 5.052 -6.197 12.401 604 HG2 ARG 83 1HG ARG 83 5.058 -8.165 14.045 605 HG3 ARG 83 2HG ARG 83 6.007 -7.103 15.088 606 HD2 ARG 83 1HD ARG 83 4.263 -5.663 15.440 607 HD3 ARG 83 2HD ARG 83 3.503 -6.035 13.894 608 HE ARG 83 HE ARG 83 3.355 -8.330 15.447 609 HH11 ARG 83 2HH1 ARG 83 2.161 -5.061 15.533 610 HH12 ARG 83 1HH1 ARG 83 0.723 -5.470 16.407 611 HH21 ARG 83 2HH2 ARG 83 1.465 -8.882 16.599 612 HH22 ARG 83 1HH2 ARG 83 0.328 -7.644 17.014 613 H ILE 84 H ILE 84 5.061 -7.845 10.610 614 HA ILE 84 HA ILE 84 4.322 -10.427 11.546 615 HB ILE 84 HB ILE 84 2.998 -10.578 9.452 616 HG12 ILE 84 1HG1 ILE 84 4.057 -7.807 8.874 617 HG13 ILE 84 2HG1 ILE 84 4.644 -9.261 8.074 618 HG21 ILE 84 1HG2 ILE 84 2.774 -8.559 11.519 619 HG22 ILE 84 2HG2 ILE 84 1.953 -8.084 10.033 620 HG23 ILE 84 3HG2 ILE 84 1.536 -9.604 10.822 621 HD11 ILE 84 1HD1 ILE 84 3.112 -8.678 6.540 622 HD12 ILE 84 2HD1 ILE 84 2.012 -9.521 7.630 623 HD13 ILE 84 3HD1 ILE 84 2.142 -7.764 7.694 624 H GLY 85 H GLY 85 7.035 -9.448 9.946 625 HA2 GLY 85 1HA GLY 85 8.751 -11.004 9.373 626 HA3 GLY 85 2HA GLY 85 7.507 -12.176 8.964 627 H ALA 86 H ALA 86 9.049 -9.177 7.919 628 HA ALA 86 HA ALA 86 8.367 -9.902 5.146 629 HB1 ALA 86 1HB ALA 86 7.201 -7.824 6.305 630 HB2 ALA 86 2HB ALA 86 8.702 -7.033 5.825 631 HB3 ALA 86 3HB ALA 86 7.681 -7.798 4.608 632 H ARG 87 H ARG 87 10.150 -10.392 4.065 633 HA ARG 87 HA ARG 87 12.751 -9.615 4.991 634 HB2 ARG 87 1HB ARG 87 12.254 -11.811 3.907 635 HB3 ARG 87 2HB ARG 87 12.003 -10.958 2.390 636 HG2 ARG 87 1HG ARG 87 14.227 -10.543 2.092 637 HG3 ARG 87 2HG ARG 87 14.572 -10.548 3.822 638 HD2 ARG 87 1HD ARG 87 13.901 -12.982 2.172 639 HD3 ARG 87 2HD ARG 87 15.527 -12.498 2.651 640 HE ARG 87 HE ARG 87 13.549 -13.790 4.287 641 HH11 ARG 87 2HH1 ARG 87 16.385 -11.770 4.282 642 HH12 ARG 87 1HH1 ARG 87 16.853 -12.200 5.894 643 HH21 ARG 87 2HH2 ARG 87 14.156 -14.363 6.410 644 HH22 ARG 87 1HH2 ARG 87 15.585 -13.675 7.103 645 H VAL 88 H VAL 88 11.802 -7.255 4.731 646 HA VAL 88 HA VAL 88 12.900 -6.228 2.203 647 HB VAL 88 HB VAL 88 10.598 -5.966 1.830 648 HG11 VAL 88 1HG1 VAL 88 9.387 -6.394 3.694 649 HG12 VAL 88 2HG1 VAL 88 10.491 -5.506 4.748 650 HG13 VAL 88 3HG1 VAL 88 9.314 -4.633 3.765 651 HG21 VAL 88 1HG2 VAL 88 11.416 -3.350 3.083 652 HG22 VAL 88 2HG2 VAL 88 11.979 -3.908 1.508 653 HG23 VAL 88 3HG2 VAL 88 10.263 -3.597 1.771 654 H TYR 89 H TYR 89 14.783 -5.421 2.972 655 HA TYR 89 HA TYR 89 14.853 -3.912 5.445 656 HB2 TYR 89 1HB TYR 89 17.323 -3.623 4.691 657 HB3 TYR 89 2HB TYR 89 16.772 -5.212 5.211 658 HD1 TYR 89 1HD TYR 89 17.705 -3.161 2.299 659 HD2 TYR 89 2HD TYR 89 16.657 -7.049 3.673 660 HE1 TYR 89 1HE TYR 89 18.451 -4.112 0.157 661 HE2 TYR 89 2HE TYR 89 17.401 -8.011 1.536 662 HH TYR 89 HH TYR 89 18.592 -5.946 -1.094 663 H ALA 90 H ALA 90 13.215 -2.780 3.433 664 HA ALA 90 HA ALA 90 14.667 -0.612 2.196 665 HB1 ALA 90 1HB ALA 90 11.764 -1.377 2.287 666 HB2 ALA 90 2HB ALA 90 12.316 0.133 1.560 667 HB3 ALA 90 3HB ALA 90 12.870 -1.412 0.914 668 H LEU 91 H LEU 91 13.990 1.659 2.519 669 HA LEU 91 HA LEU 91 13.745 2.213 5.377 670 HB2 LEU 91 1HB LEU 91 14.368 4.116 3.126 671 HB3 LEU 91 2HB LEU 91 14.529 4.431 4.853 672 HG LEU 91 HG LEU 91 16.145 2.330 3.426 673 HD11 LEU 91 1HD1 LEU 91 17.299 4.976 4.134 674 HD12 LEU 91 2HD1 LEU 91 16.355 4.840 2.651 675 HD13 LEU 91 3HD1 LEU 91 17.780 3.827 2.885 676 HD21 LEU 91 1HD2 LEU 91 17.506 2.341 5.347 677 HD22 LEU 91 2HD2 LEU 91 15.847 2.308 5.946 678 HD23 LEU 91 3HD2 LEU 91 16.762 3.816 5.965 679 HA PRO 92 HA PRO 92 9.578 3.588 5.126 680 HB2 PRO 92 1HB PRO 92 9.553 5.379 7.166 681 HB3 PRO 92 2HB PRO 92 9.601 3.631 7.423 682 HG2 PRO 92 1HG PRO 92 11.839 5.618 7.494 683 HG3 PRO 92 2HG PRO 92 11.509 4.265 8.591 684 HD2 PRO 92 1HD PRO 92 13.357 4.123 6.618 685 HD3 PRO 92 2HD PRO 92 12.422 2.712 7.154 686 H GLU 93 H GLU 93 12.224 5.609 4.489 687 HA GLU 93 HA GLU 93 10.658 7.995 3.980 688 HB2 GLU 93 1HB GLU 93 13.572 7.408 3.428 689 HB3 GLU 93 2HB GLU 93 12.799 8.978 3.265 690 HG2 GLU 93 1HG GLU 93 12.256 8.883 5.695 691 HG3 GLU 93 2HG GLU 93 13.224 7.413 5.797 692 H ASP 94 H ASP 94 12.307 5.473 2.145 693 HA ASP 94 HA ASP 94 12.221 6.440 -0.408 694 HB2 ASP 94 1HB ASP 94 11.422 3.610 0.275 695 HB3 ASP 94 2HB ASP 94 12.227 4.182 -1.184 696 H LEU 95 H LEU 95 9.558 4.956 1.391 697 HA LEU 95 HA LEU 95 7.676 4.921 -0.687 698 HB2 LEU 95 1HB LEU 95 7.143 5.281 2.257 699 HB3 LEU 95 2HB LEU 95 5.998 4.709 1.044 700 HG LEU 95 HG LEU 95 8.524 3.204 1.657 701 HD11 LEU 95 1HD1 LEU 95 6.156 2.098 2.882 702 HD12 LEU 95 2HD1 LEU 95 6.526 3.696 3.526 703 HD13 LEU 95 3HD1 LEU 95 7.742 2.420 3.582 704 HD21 LEU 95 1HD2 LEU 95 6.112 2.809 0.034 705 HD22 LEU 95 2HD2 LEU 95 6.585 1.416 1.007 706 HD23 LEU 95 3HD2 LEU 95 7.726 2.120 -0.140 707 H VAL 96 H VAL 96 8.475 7.408 1.695 708 HA VAL 96 HA VAL 96 6.418 9.209 1.166 709 HB VAL 96 HB VAL 96 9.257 9.683 2.062 710 HG11 VAL 96 1HG1 VAL 96 8.885 11.790 1.311 711 HG12 VAL 96 2HG1 VAL 96 7.130 11.617 1.360 712 HG13 VAL 96 3HG1 VAL 96 8.029 11.923 2.847 713 HG21 VAL 96 1HG2 VAL 96 8.067 8.544 3.733 714 HG22 VAL 96 2HG2 VAL 96 7.992 10.240 4.211 715 HG23 VAL 96 3HG2 VAL 96 6.598 9.477 3.446 716 H GLU 97 H GLU 97 9.680 9.082 -0.264 717 HA GLU 97 HA GLU 97 9.027 11.129 -2.188 718 HB2 GLU 97 1HB GLU 97 11.456 9.341 -1.971 719 HB3 GLU 97 2HB GLU 97 11.300 10.717 -3.054 720 HG2 GLU 97 1HG GLU 97 10.881 11.168 -0.151 721 HG3 GLU 97 2HG GLU 97 12.525 10.905 -0.730 722 H VAL 98 H VAL 98 8.108 8.032 -1.976 723 HA VAL 98 HA VAL 98 7.480 6.385 -3.432 724 HB VAL 98 HB VAL 98 7.039 8.651 -5.373 725 HG11 VAL 98 1HG1 VAL 98 5.646 7.266 -6.509 726 HG12 VAL 98 2HG1 VAL 98 6.704 6.038 -5.813 727 HG13 VAL 98 3HG1 VAL 98 5.150 6.394 -5.059 728 HG21 VAL 98 1HG2 VAL 98 6.118 8.711 -2.828 729 HG22 VAL 98 2HG2 VAL 98 5.283 9.438 -4.201 730 HG23 VAL 98 3HG2 VAL 98 4.814 7.836 -3.630 731 H LYS 99 H LYS 99 10.172 6.490 -3.387 732 HA LYS 99 HA LYS 99 11.347 6.854 -5.963 733 HB2 LYS 99 1HB LYS 99 12.424 5.268 -3.626 734 HB3 LYS 99 2HB LYS 99 13.346 5.896 -4.985 735 HG2 LYS 99 1HG LYS 99 12.695 8.198 -4.248 736 HG3 LYS 99 2HG LYS 99 12.012 7.466 -2.794 737 HD2 LYS 99 1HD LYS 99 14.151 6.632 -2.126 738 HD3 LYS 99 2HD LYS 99 14.873 7.094 -3.670 739 HE2 LYS 99 1HE LYS 99 13.626 9.112 -1.827 740 HE3 LYS 99 2HE LYS 99 15.307 8.609 -1.657 741 HZ1 LYS 99 1HZ LYS 99 14.418 9.441 -4.311 742 HZ2 LYS 99 2HZ LYS 99 15.912 9.667 -3.551 743 HZ3 LYS 99 3HZ LYS 99 14.600 10.653 -3.145 744 HA PRO 100 HA PRO 100 9.889 2.992 -7.645 745 HB2 PRO 100 1HB PRO 100 11.136 3.251 -10.042 746 HB3 PRO 100 2HB PRO 100 9.655 4.123 -9.631 747 HG2 PRO 100 1HG PRO 100 12.492 5.076 -9.574 748 HG3 PRO 100 2HG PRO 100 11.043 5.911 -10.164 749 HD2 PRO 100 1HD PRO 100 12.131 6.422 -7.738 750 HD3 PRO 100 2HD PRO 100 10.386 6.537 -8.046 751 H LYS 101 H LYS 101 13.038 3.887 -6.804 752 HA LYS 101 HA LYS 101 14.302 1.461 -7.780 753 HB2 LYS 101 1HB LYS 101 16.346 2.379 -7.030 754 HB3 LYS 101 2HB LYS 101 15.437 3.735 -7.685 755 HG2 LYS 101 1HG LYS 101 14.917 4.549 -5.526 756 HG3 LYS 101 2HG LYS 101 15.482 3.064 -4.756 757 HD2 LYS 101 1HD LYS 101 17.316 4.798 -6.385 758 HD3 LYS 101 2HD LYS 101 17.020 5.111 -4.673 759 HE2 LYS 101 1HE LYS 101 18.883 3.773 -4.555 760 HE3 LYS 101 2HE LYS 101 17.600 2.570 -4.422 761 HZ1 LYS 101 1HZ LYS 101 18.365 1.583 -6.232 762 HZ2 LYS 101 2HZ LYS 101 19.631 2.701 -6.323 763 HZ3 LYS 101 3HZ LYS 101 18.179 2.999 -7.138 764 H MET 102 H MET 102 12.633 2.515 -5.006 765 HA MET 102 HA MET 102 13.614 0.177 -3.505 766 HB2 MET 102 1HB MET 102 12.962 2.952 -2.588 767 HB3 MET 102 2HB MET 102 12.759 1.603 -1.479 768 HG2 MET 102 1HG MET 102 15.304 2.412 -2.865 769 HG3 MET 102 2HG MET 102 14.914 2.639 -1.162 770 HE1 MET 102 1HE MET 102 15.756 -0.563 0.518 771 HE2 MET 102 2HE MET 102 16.093 1.168 0.501 772 HE3 MET 102 3HE MET 102 14.425 0.594 0.484 773 H VAL 103 H VAL 103 10.839 2.325 -4.046 774 HA VAL 103 HA VAL 103 8.895 0.928 -2.656 775 HB VAL 103 HB VAL 103 8.577 2.432 -5.257 776 HG11 VAL 103 1HG1 VAL 103 6.664 1.029 -3.532 777 HG12 VAL 103 2HG1 VAL 103 6.211 2.683 -3.945 778 HG13 VAL 103 3HG1 VAL 103 6.529 1.509 -5.223 779 HG21 VAL 103 1HG2 VAL 103 7.794 3.532 -2.608 780 HG22 VAL 103 2HG2 VAL 103 9.506 3.511 -3.031 781 HG23 VAL 103 3HG2 VAL 103 8.354 4.366 -4.057 782 H MET 104 H MET 104 10.470 0.122 -5.629 783 HA MET 104 HA MET 104 8.517 -1.682 -6.632 784 HB2 MET 104 1HB MET 104 10.276 -0.689 -8.045 785 HB3 MET 104 2HB MET 104 11.494 -1.593 -7.156 786 HG2 MET 104 1HG MET 104 10.087 -3.660 -7.883 787 HG3 MET 104 2HG MET 104 9.471 -2.562 -9.115 788 HE1 MET 104 1HE MET 104 12.073 -4.983 -8.072 789 HE2 MET 104 2HE MET 104 13.563 -4.536 -8.904 790 HE3 MET 104 3HE MET 104 13.022 -3.608 -7.504 791 H THR 105 H THR 105 11.641 -2.269 -5.011 792 HA THR 105 HA THR 105 11.198 -5.053 -4.693 793 HB THR 105 HB THR 105 13.461 -4.236 -4.680 794 HG1 THR 105 1HG THR 105 14.151 -5.182 -2.660 795 HG21 THR 105 1HG2 THR 105 14.305 -2.858 -2.787 796 HG22 THR 105 2HG2 THR 105 12.641 -2.658 -2.240 797 HG23 THR 105 3HG2 THR 105 13.139 -2.012 -3.803 798 H VAL 106 H VAL 106 10.197 -2.282 -2.912 799 HA VAL 106 HA VAL 106 9.852 -3.453 -0.365 800 HB VAL 106 HB VAL 106 8.555 -1.083 -1.695 801 HG11 VAL 106 1HG1 VAL 106 7.790 -0.577 0.717 802 HG12 VAL 106 2HG1 VAL 106 6.850 -1.719 -0.246 803 HG13 VAL 106 3HG1 VAL 106 7.976 -2.311 0.976 804 HG21 VAL 106 1HG2 VAL 106 10.311 -1.084 0.734 805 HG22 VAL 106 2HG2 VAL 106 11.003 -1.144 -0.887 806 HG23 VAL 106 3HG2 VAL 106 9.994 0.221 -0.410 807 H PHE 107 H PHE 107 7.820 -3.317 -3.230 808 HA PHE 107 HA PHE 107 5.559 -4.511 -1.879 809 HB2 PHE 107 1HB PHE 107 6.112 -3.477 -4.619 810 HB3 PHE 107 2HB PHE 107 4.821 -4.660 -4.433 811 HD1 PHE 107 1HD PHE 107 3.049 -4.150 -2.620 812 HD2 PHE 107 2HD PHE 107 5.682 -1.237 -4.262 813 HE1 PHE 107 1HE PHE 107 1.515 -2.365 -1.903 814 HE2 PHE 107 2HE PHE 107 4.153 0.553 -3.548 815 HZ PHE 107 HZ PHE 107 2.067 -0.010 -2.366 816 H ALA 108 H ALA 108 7.838 -5.477 -4.434 817 HA ALA 108 HA ALA 108 6.918 -8.030 -4.932 818 HB1 ALA 108 1HB ALA 108 8.760 -6.793 -6.130 819 HB2 ALA 108 2HB ALA 108 9.839 -7.318 -4.837 820 HB3 ALA 108 3HB ALA 108 9.042 -8.514 -5.859 821 H CYS 109 H CYS 109 8.811 -6.855 -2.232 822 HA CYS 109 HA CYS 109 9.640 -9.366 -1.231 823 HB2 CYS 109 1HB CYS 109 9.356 -6.630 -0.018 824 HB3 CYS 109 2HB CYS 109 9.800 -8.013 0.975 825 HG CYS 109 HG CYS 109 12.304 -7.788 0.505 826 H LEU 110 H LEU 110 6.893 -7.268 -0.400 827 HA LEU 110 HA LEU 110 5.802 -8.821 1.634 828 HB2 LEU 110 1HB LEU 110 4.431 -7.057 -0.388 829 HB3 LEU 110 2HB LEU 110 3.646 -7.723 1.042 830 HG LEU 110 HG LEU 110 6.069 -5.959 1.248 831 HD11 LEU 110 1HD1 LEU 110 3.715 -4.518 1.879 832 HD12 LEU 110 2HD1 LEU 110 3.515 -5.197 0.264 833 HD13 LEU 110 3HD1 LEU 110 4.909 -4.179 0.625 834 HD21 LEU 110 1HD2 LEU 110 3.937 -6.949 3.103 835 HD22 LEU 110 2HD2 LEU 110 4.831 -5.470 3.460 836 HD23 LEU 110 3HD2 LEU 110 5.691 -7.002 3.288 837 H MET 111 H MET 111 5.272 -8.976 -1.865 838 HA MET 111 HA MET 111 3.225 -10.816 -1.984 839 HB2 MET 111 1HB MET 111 4.415 -9.585 -3.893 840 HB3 MET 111 2HB MET 111 5.575 -10.907 -3.866 841 HG2 MET 111 1HG MET 111 3.625 -12.468 -4.185 842 HG3 MET 111 2HG MET 111 2.642 -11.038 -4.492 843 HE1 MET 111 1HE MET 111 4.431 -9.107 -6.548 844 HE2 MET 111 2HE MET 111 3.483 -9.821 -7.853 845 HE3 MET 111 3HE MET 111 2.747 -9.551 -6.272 846 H GLY 112 H GLY 112 6.721 -11.481 -1.832 847 HA2 GLY 112 1HA GLY 112 6.913 -14.144 -2.054 848 HA3 GLY 112 2HA GLY 112 7.785 -13.272 -0.801 849 H ARG 113 H ARG 113 5.729 -12.524 0.879 850 HA ARG 113 HA ARG 113 5.212 -15.019 2.212 851 HB2 ARG 113 1HB ARG 113 5.824 -12.886 3.389 852 HB3 ARG 113 2HB ARG 113 4.235 -12.262 2.966 853 HG2 ARG 113 1HG ARG 113 3.845 -13.018 5.084 854 HG3 ARG 113 2HG ARG 113 3.404 -14.447 4.148 855 HD2 ARG 113 1HD ARG 113 5.972 -14.999 4.472 856 HD3 ARG 113 2HD ARG 113 5.770 -13.957 5.879 857 HE ARG 113 HE ARG 113 3.689 -15.747 5.988 858 HH11 ARG 113 2HH1 ARG 113 7.165 -15.934 5.930 859 HH12 ARG 113 1HH1 ARG 113 7.232 -17.397 6.856 860 HH21 ARG 113 2HH2 ARG 113 3.764 -17.673 7.207 861 HH22 ARG 113 1HH2 ARG 113 5.297 -18.386 7.581 862 H GLY 114 H GLY 114 3.172 -12.420 0.872 863 HA2 GLY 114 1HA GLY 114 0.669 -13.342 1.390 864 HA3 GLY 114 2HA GLY 114 1.093 -12.554 -0.123 865 H MET 115 H MET 115 1.492 -13.799 -1.963 866 HA MET 115 HA MET 115 -0.068 -15.970 -2.449 867 HB2 MET 115 1HB MET 115 2.462 -14.986 -3.687 868 HB3 MET 115 2HB MET 115 1.841 -16.551 -4.191 869 HG2 MET 115 1HG MET 115 -0.399 -15.166 -4.441 870 HG3 MET 115 2HG MET 115 0.742 -13.837 -4.634 871 HE1 MET 115 1HE MET 115 2.200 -13.443 -6.819 872 HE2 MET 115 2HE MET 115 3.128 -14.730 -6.049 873 HE3 MET 115 3HE MET 115 2.762 -14.816 -7.772 874 H LYS 116 H LYS 116 -0.182 -17.812 -1.349 875 HA LYS 116 HA LYS 116 1.874 -18.923 0.199 876 HB2 LYS 116 1HB LYS 116 -0.754 -19.902 -0.828 877 HB3 LYS 116 2HB LYS 116 0.360 -21.069 -0.127 878 HG2 LYS 116 1HG LYS 116 -0.879 -20.492 1.705 879 HG3 LYS 116 2HG LYS 116 0.458 -19.348 1.839 880 HD2 LYS 116 1HD LYS 116 -1.023 -17.741 0.509 881 HD3 LYS 116 2HD LYS 116 -2.344 -18.856 0.868 882 HE2 LYS 116 1HE LYS 116 -2.327 -18.367 3.108 883 HE3 LYS 116 2HE LYS 116 -0.620 -17.924 3.109 884 HZ1 LYS 116 1HZ LYS 116 -2.888 -16.312 2.081 885 HZ2 LYS 116 2HZ LYS 116 -1.265 -15.909 1.832 886 HZ3 LYS 116 3HZ LYS 116 -1.892 -15.956 3.402 887 H ARG 117 H ARG 117 3.492 -20.313 -0.223 888 HA ARG 117 HA ARG 117 4.098 -20.898 -2.983 889 HB2 ARG 117 1HB ARG 117 5.795 -20.194 -1.233 890 HB3 ARG 117 2HB ARG 117 5.630 -21.805 -0.548 891 HG2 ARG 117 1HG ARG 117 7.480 -22.045 -1.886 892 HG3 ARG 117 2HG ARG 117 6.191 -22.600 -2.956 893 HD2 ARG 117 1HD ARG 117 6.947 -19.717 -2.976 894 HD3 ARG 117 2HD ARG 117 7.999 -20.879 -3.784 895 HE ARG 117 HE ARG 117 5.229 -21.120 -4.514 896 HH11 ARG 117 2HH1 ARG 117 8.237 -19.499 -5.178 897 HH12 ARG 117 1HH1 ARG 117 7.818 -19.112 -6.814 898 HH21 ARG 117 2HH2 ARG 117 4.665 -20.616 -6.666 899 HH22 ARG 117 1HH2 ARG 117 5.785 -19.747 -7.659 900 H VAL 118 H VAL 118 3.519 -22.683 -4.018 901 HA VAL 118 HA VAL 118 1.973 -24.720 -2.980 902 HB VAL 118 HB VAL 118 3.870 -24.938 -5.323 903 HG11 VAL 118 1HG1 VAL 118 1.470 -26.437 -5.636 904 HG12 VAL 118 2HG1 VAL 118 3.136 -27.017 -5.583 905 HG13 VAL 118 3HG1 VAL 118 2.205 -26.868 -4.092 906 HG21 VAL 118 1HG2 VAL 118 2.576 -23.263 -6.101 907 HG22 VAL 118 2HG2 VAL 118 1.426 -24.564 -6.408 908 HG23 VAL 118 3HG2 VAL 118 1.280 -23.584 -4.949 909 H SER 119 H SER 119 5.475 -24.824 -3.645 910 HA SER 119 HA SER 119 5.914 -26.525 -1.361 911 HB2 SER 119 1HB SER 119 5.180 -28.048 -3.299 912 HB3 SER 119 2HB SER 119 6.731 -27.650 -4.037 913 HG SER 119 HG SER 119 6.166 -29.186 -1.784 914 H GLY 120 H GLY 120 8.029 -26.501 -0.662 915 HA2 GLY 120 1HA GLY 120 10.376 -26.091 -1.861 916 HA3 GLY 120 2HA GLY 120 9.706 -24.467 -1.894 917 HA PRO 121 HA PRO 121 12.014 -25.232 2.120 918 HB2 PRO 121 1HB PRO 121 13.799 -23.210 1.816 919 HB3 PRO 121 2HB PRO 121 14.086 -24.844 1.207 920 HG2 PRO 121 1HG PRO 121 13.130 -22.416 -0.260 921 HG3 PRO 121 2HG PRO 121 14.321 -23.630 -0.762 922 HD2 PRO 121 1HD PRO 121 11.763 -23.645 -1.650 923 HD3 PRO 121 2HD PRO 121 12.700 -25.134 -1.414 924 H SER 122 H SER 122 10.102 -24.494 3.147 925 HA SER 122 HA SER 122 9.950 -21.571 3.496 926 HB2 SER 122 1HB SER 122 7.817 -23.677 3.371 927 HB3 SER 122 2HB SER 122 7.528 -22.189 4.271 928 HG SER 122 HG SER 122 7.830 -21.019 2.402 929 H SER 123 H SER 123 11.201 -21.281 5.279 930 HA SER 123 HA SER 123 10.251 -22.558 7.750 931 HB2 SER 123 1HB SER 123 12.409 -23.586 6.889 932 HB3 SER 123 2HB SER 123 13.174 -22.028 7.198 933 HG SER 123 HG SER 123 12.730 -23.984 8.916 934 H GLY 124 H GLY 124 10.283 -21.284 9.587 935 HA2 GLY 124 1HA GLY 124 11.413 -19.179 10.519 936 HA3 GLY 124 2HA GLY 124 10.758 -18.420 9.075 Start of MODEL 5 1 H1 GLY 1 H GLY 1 17.462 5.626 -18.514 2 HA2 GLY 1 1HA GLY 1 16.065 3.819 -18.778 3 HA3 GLY 1 2HA GLY 1 15.209 4.745 -20.003 4 H SER 2 H SER 2 15.054 3.537 -21.770 5 HA SER 2 HA SER 2 15.562 2.044 -23.424 6 HB2 SER 2 1HB SER 2 17.968 3.819 -23.209 7 HB3 SER 2 2HB SER 2 17.985 2.469 -24.344 8 HG SER 2 HG SER 2 15.796 3.459 -24.946 9 H SER 3 H SER 3 15.768 0.877 -20.928 10 HA SER 3 HA SER 3 18.046 -0.954 -21.305 11 HB2 SER 3 1HB SER 3 17.994 0.665 -19.225 12 HB3 SER 3 2HB SER 3 16.860 -0.526 -18.589 13 HG SER 3 HG SER 3 18.523 -2.117 -19.076 14 H GLY 4 H GLY 4 17.632 -3.112 -21.228 15 HA2 GLY 4 1HA GLY 4 14.846 -3.908 -20.648 16 HA3 GLY 4 2HA GLY 4 15.733 -4.547 -22.024 17 H SER 5 H SER 5 15.207 -4.734 -18.615 18 HA SER 5 HA SER 5 17.069 -7.015 -18.471 19 HB2 SER 5 1HB SER 5 17.459 -6.535 -16.164 20 HB3 SER 5 2HB SER 5 17.615 -5.003 -17.024 21 HG SER 5 HG SER 5 15.304 -5.900 -15.636 22 H SER 6 H SER 6 16.414 -8.848 -17.263 23 HA SER 6 HA SER 6 13.611 -9.423 -17.510 24 HB2 SER 6 1HB SER 6 15.882 -11.073 -16.373 25 HB3 SER 6 2HB SER 6 14.246 -11.668 -16.657 26 HG SER 6 HG SER 6 15.082 -12.157 -18.539 27 H GLY 7 H GLY 7 12.329 -8.404 -16.069 28 HA2 GLY 7 1HA GLY 7 12.394 -9.271 -13.339 29 HA3 GLY 7 2HA GLY 7 12.881 -7.591 -13.507 30 H ASN 8 H ASN 8 10.344 -9.458 -12.756 31 HA ASN 8 HA ASN 8 8.187 -8.482 -14.232 32 HB2 ASN 8 1HB ASN 8 6.891 -8.986 -12.040 33 HB3 ASN 8 2HB ASN 8 7.689 -10.316 -12.874 34 HD21 ASN 8 1HD2 ASN 8 9.504 -11.257 -11.972 35 HD22 ASN 8 2HD2 ASN 8 9.967 -10.988 -10.330 36 H ASP 9 H ASP 9 7.048 -6.636 -14.219 37 HA ASP 9 HA ASP 9 7.631 -4.667 -12.107 38 HB2 ASP 9 1HB ASP 9 7.106 -3.981 -15.003 39 HB3 ASP 9 2HB ASP 9 7.618 -2.888 -13.720 40 H ASP 10 H ASP 10 5.358 -5.229 -14.801 41 HA ASP 10 HA ASP 10 3.226 -3.836 -13.542 42 HB2 ASP 10 1HB ASP 10 2.919 -5.913 -15.709 43 HB3 ASP 10 2HB ASP 10 1.886 -4.524 -15.381 44 H ILE 11 H ILE 11 4.020 -7.274 -13.882 45 HA ILE 11 HA ILE 11 1.818 -8.507 -12.883 46 HB ILE 11 HB ILE 11 4.675 -9.169 -12.161 47 HG12 ILE 11 1HG1 ILE 11 2.960 -10.432 -14.297 48 HG13 ILE 11 2HG1 ILE 11 4.003 -9.053 -14.625 49 HG21 ILE 11 1HG2 ILE 11 3.901 -11.383 -11.632 50 HG22 ILE 11 2HG2 ILE 11 2.986 -10.217 -10.678 51 HG23 ILE 11 3HG2 ILE 11 2.253 -10.961 -12.098 52 HD11 ILE 11 1HD1 ILE 11 5.860 -10.302 -14.620 53 HD12 ILE 11 2HD1 ILE 11 5.313 -11.299 -13.271 54 HD13 ILE 11 3HD1 ILE 11 4.738 -11.633 -14.904 55 H ILE 12 H ILE 12 4.415 -7.052 -10.938 56 HA ILE 12 HA ILE 12 3.458 -7.692 -8.411 57 HB ILE 12 HB ILE 12 4.892 -5.154 -9.204 58 HG12 ILE 12 1HG1 ILE 12 6.112 -7.688 -8.113 59 HG13 ILE 12 2HG1 ILE 12 5.969 -7.380 -9.840 60 HG21 ILE 12 1HG2 ILE 12 5.086 -6.467 -6.529 61 HG22 ILE 12 2HG2 ILE 12 5.378 -4.787 -6.978 62 HG23 ILE 12 3HG2 ILE 12 3.727 -5.403 -6.892 63 HD11 ILE 12 1HD1 ILE 12 8.082 -6.682 -8.243 64 HD12 ILE 12 2HD1 ILE 12 7.729 -6.023 -9.841 65 HD13 ILE 12 3HD1 ILE 12 7.184 -5.172 -8.396 66 H VAL 13 H VAL 13 2.939 -4.645 -10.197 67 HA VAL 13 HA VAL 13 1.253 -3.366 -8.449 68 HB VAL 13 HB VAL 13 0.967 -3.355 -11.457 69 HG11 VAL 13 1HG1 VAL 13 0.431 -0.900 -9.969 70 HG12 VAL 13 2HG1 VAL 13 -0.495 -1.672 -11.258 71 HG13 VAL 13 3HG1 VAL 13 -0.683 -2.214 -9.590 72 HG21 VAL 13 1HG2 VAL 13 3.078 -2.406 -9.736 73 HG22 VAL 13 2HG2 VAL 13 3.002 -2.454 -11.497 74 HG23 VAL 13 3HG2 VAL 13 2.338 -1.074 -10.623 75 H ASN 14 H ASN 14 0.114 -5.265 -11.252 76 HA ASN 14 HA ASN 14 -2.543 -5.306 -10.868 77 HB2 ASN 14 1HB ASN 14 -0.638 -7.390 -11.822 78 HB3 ASN 14 2HB ASN 14 -2.303 -7.882 -11.526 79 HD21 ASN 14 1HD2 ASN 14 -0.330 -5.515 -13.241 80 HD22 ASN 14 2HD2 ASN 14 -1.419 -5.302 -14.566 81 H TRP 15 H TRP 15 -0.255 -7.405 -9.143 82 HA TRP 15 HA TRP 15 -2.155 -8.796 -7.615 83 HB2 TRP 15 1HB TRP 15 0.229 -9.471 -7.897 84 HB3 TRP 15 2HB TRP 15 0.695 -8.145 -6.837 85 HD1 TRP 15 HD TRP 15 -1.116 -11.535 -6.754 86 HE1 TRP 15 1HE TRP 15 -1.126 -12.390 -4.327 87 HE3 TRP 15 3HE TRP 15 0.846 -7.422 -4.436 88 HZ2 TRP 15 2HZ TRP 15 -0.399 -11.446 -1.768 89 HZ3 TRP 15 3HZ TRP 15 1.156 -7.480 -1.996 90 HH2 TRP 15 HH TRP 15 0.545 -9.451 -0.691 91 H VAL 16 H VAL 16 -0.255 -5.888 -6.860 92 HA VAL 16 HA VAL 16 -0.909 -5.394 -4.278 93 HB VAL 16 HB VAL 16 -0.879 -3.350 -6.503 94 HG11 VAL 16 1HG1 VAL 16 -1.582 -1.911 -4.954 95 HG12 VAL 16 2HG1 VAL 16 -1.411 -3.103 -3.663 96 HG13 VAL 16 3HG1 VAL 16 -0.021 -2.139 -4.165 97 HG21 VAL 16 1HG2 VAL 16 1.452 -2.963 -5.437 98 HG22 VAL 16 2HG2 VAL 16 1.243 -4.593 -4.797 99 HG23 VAL 16 3HG2 VAL 16 1.226 -4.322 -6.539 100 H ASN 17 H ASN 17 -2.896 -4.377 -7.061 101 HA ASN 17 HA ASN 17 -5.033 -3.381 -5.513 102 HB2 ASN 17 1HB ASN 17 -4.723 -4.197 -8.383 103 HB3 ASN 17 2HB ASN 17 -6.320 -3.807 -7.751 104 HD21 ASN 17 1HD2 ASN 17 -3.018 -2.504 -7.650 105 HD22 ASN 17 2HD2 ASN 17 -3.480 -0.859 -7.907 106 H ARG 18 H ARG 18 -4.513 -6.515 -7.093 107 HA ARG 18 HA ARG 18 -6.951 -7.711 -6.599 108 HB2 ARG 18 1HB ARG 18 -5.038 -8.667 -7.924 109 HB3 ARG 18 2HB ARG 18 -4.282 -9.110 -6.400 110 HG2 ARG 18 1HG ARG 18 -6.064 -10.614 -5.874 111 HG3 ARG 18 2HG ARG 18 -7.004 -10.059 -7.261 112 HD2 ARG 18 1HD ARG 18 -4.273 -11.159 -7.717 113 HD3 ARG 18 2HD ARG 18 -5.591 -12.276 -7.370 114 HE ARG 18 HE ARG 18 -5.136 -10.877 -9.806 115 HH11 ARG 18 2HH1 ARG 18 -7.639 -12.117 -7.729 116 HH12 ARG 18 1HH1 ARG 18 -8.790 -12.305 -9.011 117 HH21 ARG 18 2HH2 ARG 18 -6.642 -11.120 -11.502 118 HH22 ARG 18 1HH2 ARG 18 -8.222 -11.738 -11.156 119 H THR 19 H THR 19 -4.052 -7.882 -4.529 120 HA THR 19 HA THR 19 -5.189 -9.299 -2.421 121 HB THR 19 HB THR 19 -3.057 -7.173 -2.146 122 HG1 THR 19 1HG THR 19 -1.845 -8.475 -3.276 123 HG21 THR 19 1HG2 THR 19 -4.300 -8.902 -0.272 124 HG22 THR 19 2HG2 THR 19 -2.932 -7.817 -0.018 125 HG23 THR 19 3HG2 THR 19 -2.655 -9.483 -0.525 126 H LEU 20 H LEU 20 -5.080 -5.810 -3.009 127 HA LEU 20 HA LEU 20 -6.124 -4.927 -0.584 128 HB2 LEU 20 1HB LEU 20 -6.255 -3.830 -3.373 129 HB3 LEU 20 2HB LEU 20 -7.026 -2.999 -2.022 130 HG LEU 20 HG LEU 20 -4.102 -3.685 -1.985 131 HD11 LEU 20 1HD1 LEU 20 -4.444 -0.954 -2.586 132 HD12 LEU 20 2HD1 LEU 20 -5.393 -1.864 -3.761 133 HD13 LEU 20 3HD1 LEU 20 -3.673 -2.199 -3.569 134 HD21 LEU 20 1HD2 LEU 20 -5.934 -1.874 -0.461 135 HD22 LEU 20 2HD2 LEU 20 -4.204 -1.540 -0.544 136 HD23 LEU 20 3HD2 LEU 20 -4.778 -3.060 0.144 137 H SER 21 H SER 21 -7.797 -5.939 -3.540 138 HA SER 21 HA SER 21 -10.409 -5.365 -2.619 139 HB2 SER 21 1HB SER 21 -9.918 -5.650 -5.000 140 HB3 SER 21 2HB SER 21 -9.488 -7.338 -4.726 141 HG SER 21 HG SER 21 -11.529 -7.646 -5.158 142 H GLU 22 H GLU 22 -8.557 -8.401 -2.751 143 HA GLU 22 HA GLU 22 -10.271 -10.264 -1.879 144 HB2 GLU 22 1HB GLU 22 -7.415 -9.758 -1.154 145 HB3 GLU 22 2HB GLU 22 -8.282 -11.056 -0.344 146 HG2 GLU 22 1HG GLU 22 -8.914 -11.725 -2.805 147 HG3 GLU 22 2HG GLU 22 -7.458 -10.808 -3.187 148 H ALA 23 H ALA 23 -8.848 -7.751 0.150 149 HA ALA 23 HA ALA 23 -10.298 -8.702 2.489 150 HB1 ALA 23 1HB ALA 23 -8.213 -6.609 2.023 151 HB2 ALA 23 2HB ALA 23 -9.174 -6.598 3.503 152 HB3 ALA 23 3HB ALA 23 -8.181 -8.001 3.106 153 H GLY 24 H GLY 24 -10.216 -5.862 0.361 154 HA2 GLY 24 1HA GLY 24 -12.397 -4.914 -0.260 155 HA3 GLY 24 2HA GLY 24 -12.880 -5.137 1.415 156 H LYS 25 H LYS 25 -9.947 -3.745 -0.043 157 HA LYS 25 HA LYS 25 -10.321 -1.387 1.659 158 HB2 LYS 25 1HB LYS 25 -7.862 -2.075 0.056 159 HB3 LYS 25 2HB LYS 25 -7.993 -0.963 1.412 160 HG2 LYS 25 1HG LYS 25 -8.632 -3.844 1.824 161 HG3 LYS 25 2HG LYS 25 -6.946 -3.330 1.728 162 HD2 LYS 25 1HD LYS 25 -7.119 -1.996 3.633 163 HD3 LYS 25 2HD LYS 25 -8.880 -1.928 3.540 164 HE2 LYS 25 1HE LYS 25 -8.632 -4.543 3.864 165 HE3 LYS 25 2HE LYS 25 -7.107 -4.063 4.608 166 HZ1 LYS 25 1HZ LYS 25 -8.292 -2.671 6.143 167 HZ2 LYS 25 2HZ LYS 25 -8.946 -4.229 6.207 168 HZ3 LYS 25 3HZ LYS 25 -9.768 -3.000 5.385 169 H SER 26 H SER 26 -10.061 0.731 0.802 170 HA SER 26 HA SER 26 -10.960 0.930 -1.975 171 HB2 SER 26 1HB SER 26 -11.366 3.368 -1.292 172 HB3 SER 26 2HB SER 26 -12.383 2.147 -0.527 173 HG SER 26 HG SER 26 -11.668 2.903 1.287 174 H THR 27 H THR 27 -8.096 0.834 -0.481 175 HA THR 27 HA THR 27 -6.847 3.067 -1.881 176 HB THR 27 HB THR 27 -4.784 2.402 -0.726 177 HG1 THR 27 1HG THR 27 -6.354 0.171 -0.086 178 HG21 THR 27 1HG2 THR 27 -6.009 3.932 0.539 179 HG22 THR 27 2HG2 THR 27 -5.722 2.613 1.675 180 HG23 THR 27 3HG2 THR 27 -7.289 2.769 0.881 181 H SER 28 H SER 28 -5.187 2.819 -3.407 182 HA SER 28 HA SER 28 -4.267 0.305 -4.335 183 HB2 SER 28 1HB SER 28 -5.367 0.493 -6.631 184 HB3 SER 28 2HB SER 28 -6.406 -0.040 -5.309 185 HG SER 28 HG SER 28 -6.653 2.120 -6.890 186 H ILE 29 H ILE 29 -2.777 0.496 -6.105 187 HA ILE 29 HA ILE 29 -1.923 3.271 -6.613 188 HB ILE 29 HB ILE 29 0.406 2.305 -6.843 189 HG12 ILE 29 1HG1 ILE 29 -0.517 0.046 -5.115 190 HG13 ILE 29 2HG1 ILE 29 -0.691 -0.099 -6.861 191 HG21 ILE 29 1HG2 ILE 29 -1.051 3.126 -4.575 192 HG22 ILE 29 2HG2 ILE 29 -0.009 1.800 -4.064 193 HG23 ILE 29 3HG2 ILE 29 0.689 3.220 -4.842 194 HD11 ILE 29 1HD1 ILE 29 1.769 0.455 -7.013 195 HD12 ILE 29 2HD1 ILE 29 1.828 0.216 -5.267 196 HD13 ILE 29 3HD1 ILE 29 1.353 -1.114 -6.323 197 H GLN 30 H GLN 30 -0.249 3.214 -8.548 198 HA GLN 30 HA GLN 30 -1.445 1.590 -10.696 199 HB2 GLN 30 1HB GLN 30 -0.461 4.444 -10.836 200 HB3 GLN 30 2HB GLN 30 -0.964 3.492 -12.226 201 HG2 GLN 30 1HG GLN 30 -3.210 3.362 -11.397 202 HG3 GLN 30 2HG GLN 30 -2.741 4.143 -9.889 203 HE21 GLN 30 1HE2 GLN 30 -4.800 5.120 -11.408 204 HE22 GLN 30 2HE2 GLN 30 -4.345 6.637 -12.097 205 H SER 31 H SER 31 1.431 2.878 -9.235 206 HA SER 31 HA SER 31 3.082 0.903 -10.426 207 HB2 SER 31 1HB SER 31 2.725 2.713 -12.270 208 HB3 SER 31 2HB SER 31 3.846 3.673 -11.305 209 HG SER 31 HG SER 31 4.514 1.030 -11.968 210 H PHE 32 H PHE 32 5.551 1.765 -10.105 211 HA PHE 32 HA PHE 32 5.693 2.321 -7.259 212 HB2 PHE 32 1HB PHE 32 8.068 1.869 -9.046 213 HB3 PHE 32 2HB PHE 32 7.895 1.510 -7.331 214 HD1 PHE 32 1HD PHE 32 6.109 -0.288 -6.729 215 HD2 PHE 32 2HD PHE 32 7.849 0.171 -10.586 216 HE1 PHE 32 1HE PHE 32 5.503 -2.609 -7.276 217 HE2 PHE 32 2HE PHE 32 7.245 -2.148 -11.139 218 HZ PHE 32 HZ PHE 32 6.070 -3.542 -9.483 219 H LYS 33 H LYS 33 5.476 4.196 -9.906 220 HA LYS 33 HA LYS 33 7.324 6.244 -8.877 221 HB2 LYS 33 1HB LYS 33 6.187 5.746 -11.620 222 HB3 LYS 33 2HB LYS 33 6.884 7.300 -11.183 223 HG2 LYS 33 1HG LYS 33 8.920 5.830 -10.437 224 HG3 LYS 33 2HG LYS 33 8.211 4.664 -11.556 225 HD2 LYS 33 1HD LYS 33 8.119 6.796 -13.131 226 HD3 LYS 33 2HD LYS 33 9.452 7.312 -12.094 227 HE2 LYS 33 1HE LYS 33 10.815 5.563 -12.762 228 HE3 LYS 33 2HE LYS 33 9.456 4.568 -13.283 229 HZ1 LYS 33 1HZ LYS 33 9.298 5.660 -15.269 230 HZ2 LYS 33 2HZ LYS 33 10.968 5.757 -15.018 231 HZ3 LYS 33 3HZ LYS 33 9.984 7.092 -14.685 232 H ASP 34 H ASP 34 4.019 5.450 -9.431 233 HA ASP 34 HA ASP 34 2.699 7.805 -9.708 234 HB2 ASP 34 1HB ASP 34 1.818 5.378 -9.266 235 HB3 ASP 34 2HB ASP 34 1.751 5.909 -7.588 236 H LYS 35 H LYS 35 1.700 9.288 -8.208 237 HA LYS 35 HA LYS 35 3.483 9.900 -5.965 238 HB2 LYS 35 1HB LYS 35 1.343 11.645 -7.193 239 HB3 LYS 35 2HB LYS 35 2.585 12.143 -6.052 240 HG2 LYS 35 1HG LYS 35 3.257 11.031 -8.757 241 HG3 LYS 35 2HG LYS 35 2.939 12.747 -8.490 242 HD2 LYS 35 1HD LYS 35 5.201 12.746 -8.201 243 HD3 LYS 35 2HD LYS 35 4.709 12.383 -6.545 244 HE2 LYS 35 1HE LYS 35 6.246 10.728 -6.839 245 HE3 LYS 35 2HE LYS 35 4.817 9.897 -7.453 246 HZ1 LYS 35 1HZ LYS 35 6.330 11.453 -9.388 247 HZ2 LYS 35 2HZ LYS 35 5.582 9.945 -9.557 248 HZ3 LYS 35 3HZ LYS 35 7.091 10.060 -8.801 249 H THR 36 H THR 36 1.399 7.814 -5.878 250 HA THR 36 HA THR 36 -0.376 8.952 -3.822 251 HB THR 36 HB THR 36 -1.774 6.902 -4.187 252 HG1 THR 36 1HG THR 36 -0.970 5.388 -5.414 253 HG21 THR 36 1HG2 THR 36 -1.294 8.961 -6.296 254 HG22 THR 36 2HG2 THR 36 -2.693 8.731 -5.247 255 HG23 THR 36 3HG2 THR 36 -2.431 7.652 -6.617 256 H ILE 37 H ILE 37 2.216 6.791 -4.378 257 HA ILE 37 HA ILE 37 1.796 5.028 -2.187 258 HB ILE 37 HB ILE 37 4.422 5.719 -3.504 259 HG12 ILE 37 1HG1 ILE 37 2.759 3.327 -4.213 260 HG13 ILE 37 2HG1 ILE 37 2.409 4.883 -4.959 261 HG21 ILE 37 1HG2 ILE 37 3.519 3.604 -1.615 262 HG22 ILE 37 2HG2 ILE 37 4.751 3.204 -2.811 263 HG23 ILE 37 3HG2 ILE 37 5.032 4.509 -1.658 264 HD11 ILE 37 1HD1 ILE 37 4.016 4.542 -6.431 265 HD12 ILE 37 2HD1 ILE 37 5.203 4.419 -5.133 266 HD13 ILE 37 3HD1 ILE 37 4.355 2.977 -5.692 267 H SER 38 H SER 38 3.098 8.215 -2.490 268 HA SER 38 HA SER 38 4.786 8.363 -0.289 269 HB2 SER 38 1HB SER 38 4.302 10.788 -0.292 270 HB3 SER 38 2HB SER 38 4.593 10.176 -1.920 271 HG SER 38 HG SER 38 2.297 11.220 -0.805 272 H SER 39 H SER 39 1.285 8.475 -0.467 273 HA SER 39 HA SER 39 0.848 9.337 2.205 274 HB2 SER 39 1HB SER 39 -1.455 8.837 1.827 275 HB3 SER 39 2HB SER 39 -0.821 9.432 0.293 276 HG SER 39 HG SER 39 -0.442 7.025 -0.066 277 H SER 40 H SER 40 1.848 6.381 0.868 278 HA SER 40 HA SER 40 2.158 4.285 1.703 279 HB2 SER 40 1HB SER 40 2.111 5.744 4.356 280 HB3 SER 40 2HB SER 40 2.775 4.136 4.072 281 HG SER 40 HG SER 40 4.145 5.284 2.451 282 H LEU 41 H LEU 41 -0.595 5.285 1.357 283 HA LEU 41 HA LEU 41 -2.120 4.046 3.483 284 HB2 LEU 41 1HB LEU 41 -3.005 5.241 0.861 285 HB3 LEU 41 2HB LEU 41 -4.076 4.708 2.155 286 HG LEU 41 HG LEU 41 -2.062 6.933 2.441 287 HD11 LEU 41 1HD1 LEU 41 -4.484 6.943 0.998 288 HD12 LEU 41 2HD1 LEU 41 -3.464 8.316 1.427 289 HD13 LEU 41 3HD1 LEU 41 -4.773 7.820 2.501 290 HD21 LEU 41 1HD2 LEU 41 -3.187 5.491 4.405 291 HD22 LEU 41 2HD2 LEU 41 -4.446 6.703 4.167 292 HD23 LEU 41 3HD2 LEU 41 -2.800 7.204 4.559 293 H ALA 42 H ALA 42 -1.185 3.350 0.168 294 HA ALA 42 HA ALA 42 -2.834 1.003 -0.034 295 HB1 ALA 42 1HB ALA 42 -0.623 2.074 -1.777 296 HB2 ALA 42 2HB ALA 42 -1.559 0.625 -2.149 297 HB3 ALA 42 3HB ALA 42 -2.362 2.192 -2.051 298 H VAL 43 H VAL 43 0.008 1.675 1.567 299 HA VAL 43 HA VAL 43 1.183 -0.969 1.200 300 HB VAL 43 HB VAL 43 2.117 1.387 2.844 301 HG11 VAL 43 1HG1 VAL 43 4.092 -0.645 2.229 302 HG12 VAL 43 2HG1 VAL 43 3.692 0.112 3.772 303 HG13 VAL 43 3HG1 VAL 43 2.767 -1.279 3.205 304 HG21 VAL 43 1HG2 VAL 43 2.467 2.029 0.654 305 HG22 VAL 43 2HG2 VAL 43 3.990 1.227 1.039 306 HG23 VAL 43 3HG2 VAL 43 2.758 0.379 0.105 307 H VAL 44 H VAL 44 -0.319 0.998 3.728 308 HA VAL 44 HA VAL 44 -0.037 -1.008 5.756 309 HB VAL 44 HB VAL 44 -1.869 1.394 5.730 310 HG11 VAL 44 1HG1 VAL 44 -0.886 0.595 8.308 311 HG12 VAL 44 2HG1 VAL 44 -2.552 0.764 7.749 312 HG13 VAL 44 3HG1 VAL 44 -1.692 -0.759 7.516 313 HG21 VAL 44 1HG2 VAL 44 0.029 2.576 5.749 314 HG22 VAL 44 2HG2 VAL 44 0.237 1.977 7.395 315 HG23 VAL 44 3HG2 VAL 44 1.020 1.148 6.050 316 H ASP 45 H ASP 45 -2.531 -0.060 3.476 317 HA ASP 45 HA ASP 45 -4.590 -1.669 4.631 318 HB2 ASP 45 1HB ASP 45 -4.260 -0.131 2.088 319 HB3 ASP 45 2HB ASP 45 -5.558 -1.317 2.200 320 H LEU 46 H LEU 46 -2.109 -2.161 2.216 321 HA LEU 46 HA LEU 46 -3.146 -4.557 1.115 322 HB2 LEU 46 1HB LEU 46 -1.426 -3.110 0.051 323 HB3 LEU 46 2HB LEU 46 -0.270 -3.670 1.258 324 HG LEU 46 HG LEU 46 -0.898 -6.036 0.314 325 HD11 LEU 46 1HD1 LEU 46 -2.656 -5.453 -1.161 326 HD12 LEU 46 2HD1 LEU 46 -1.265 -5.851 -2.169 327 HD13 LEU 46 3HD1 LEU 46 -1.705 -4.164 -1.899 328 HD21 LEU 46 1HD2 LEU 46 1.097 -4.058 -0.326 329 HD22 LEU 46 2HD2 LEU 46 0.776 -5.100 -1.713 330 HD23 LEU 46 3HD2 LEU 46 1.258 -5.808 -0.170 331 H ILE 47 H ILE 47 -0.604 -3.970 3.539 332 HA ILE 47 HA ILE 47 0.082 -6.576 4.117 333 HB ILE 47 HB ILE 47 -0.089 -4.223 5.999 334 HG12 ILE 47 1HG1 ILE 47 2.458 -5.388 4.966 335 HG13 ILE 47 2HG1 ILE 47 1.496 -4.396 3.876 336 HG21 ILE 47 1HG2 ILE 47 1.769 -5.790 7.124 337 HG22 ILE 47 2HG2 ILE 47 0.065 -5.841 7.571 338 HG23 ILE 47 3HG2 ILE 47 0.716 -7.030 6.443 339 HD11 ILE 47 1HD1 ILE 47 2.602 -3.562 6.545 340 HD12 ILE 47 2HD1 ILE 47 3.177 -3.055 4.957 341 HD13 ILE 47 3HD1 ILE 47 1.576 -2.567 5.513 342 H ASP 48 H ASP 48 -2.545 -4.650 5.526 343 HA ASP 48 HA ASP 48 -3.477 -6.318 7.475 344 HB2 ASP 48 1HB ASP 48 -4.631 -4.308 7.319 345 HB3 ASP 48 2HB ASP 48 -4.870 -4.463 5.580 346 H ALA 49 H ALA 49 -4.242 -6.500 4.011 347 HA ALA 49 HA ALA 49 -6.066 -8.564 4.021 348 HB1 ALA 49 1HB ALA 49 -5.782 -8.652 1.771 349 HB2 ALA 49 2HB ALA 49 -4.942 -7.131 2.079 350 HB3 ALA 49 3HB ALA 49 -4.022 -8.623 1.878 351 H ILE 50 H ILE 50 -2.525 -8.867 3.720 352 HA ILE 50 HA ILE 50 -2.466 -11.678 3.726 353 HB ILE 50 HB ILE 50 -0.296 -9.810 4.686 354 HG12 ILE 50 1HG1 ILE 50 -0.350 -10.992 1.943 355 HG13 ILE 50 2HG1 ILE 50 -1.372 -9.597 2.272 356 HG21 ILE 50 1HG2 ILE 50 -0.064 -12.592 3.553 357 HG22 ILE 50 2HG2 ILE 50 1.229 -11.597 4.219 358 HG23 ILE 50 3HG2 ILE 50 -0.040 -12.215 5.275 359 HD11 ILE 50 1HD1 ILE 50 1.601 -9.696 2.718 360 HD12 ILE 50 2HD1 ILE 50 0.803 -8.989 1.313 361 HD13 ILE 50 3HD1 ILE 50 0.550 -8.293 2.913 362 H GLN 51 H GLN 51 -1.533 -9.468 6.373 363 HA GLN 51 HA GLN 51 -2.377 -11.558 8.271 364 HB2 GLN 51 1HB GLN 51 0.014 -11.341 8.376 365 HB3 GLN 51 2HB GLN 51 -0.098 -9.588 8.472 366 HG2 GLN 51 1HG GLN 51 0.281 -10.083 10.658 367 HG3 GLN 51 2HG GLN 51 -1.481 -10.121 10.639 368 HE21 GLN 51 1HE2 GLN 51 1.169 -11.695 11.705 369 HE22 GLN 51 2HE2 GLN 51 0.527 -13.291 11.866 370 HA PRO 52 HA PRO 52 -5.081 -7.897 8.995 371 HB2 PRO 52 1HB PRO 52 -7.291 -9.373 9.551 372 HB3 PRO 52 2HB PRO 52 -6.814 -8.939 7.905 373 HG2 PRO 52 1HG PRO 52 -6.380 -11.502 9.390 374 HG3 PRO 52 2HG PRO 52 -6.889 -11.255 7.709 375 HD2 PRO 52 1HD PRO 52 -4.342 -11.882 8.383 376 HD3 PRO 52 2HD PRO 52 -4.736 -10.864 6.983 377 H GLY 53 H GLY 53 -6.328 -7.326 10.949 378 HA2 GLY 53 1HA GLY 53 -6.784 -7.411 13.229 379 HA3 GLY 53 2HA GLY 53 -5.956 -8.960 13.309 380 H CYS 54 H CYS 54 -3.566 -7.823 11.954 381 HA CYS 54 HA CYS 54 -2.291 -6.821 14.349 382 HB2 CYS 54 1HB CYS 54 -0.242 -7.249 13.282 383 HB3 CYS 54 2HB CYS 54 -1.302 -8.528 12.701 384 HG CYS 54 HG CYS 54 -0.521 -8.113 10.289 385 H ILE 55 H ILE 55 -3.369 -5.601 11.266 386 HA ILE 55 HA ILE 55 -1.942 -3.118 11.442 387 HB ILE 55 HB ILE 55 -4.228 -3.990 9.678 388 HG12 ILE 55 1HG1 ILE 55 -1.920 -5.029 9.406 389 HG13 ILE 55 2HG1 ILE 55 -2.598 -4.263 7.974 390 HG21 ILE 55 1HG2 ILE 55 -3.573 -1.937 8.336 391 HG22 ILE 55 2HG2 ILE 55 -4.467 -1.654 9.829 392 HG23 ILE 55 3HG2 ILE 55 -2.723 -1.392 9.783 393 HD11 ILE 55 1HD1 ILE 55 -0.926 -2.807 7.846 394 HD12 ILE 55 2HD1 ILE 55 -1.001 -2.439 9.569 395 HD13 ILE 55 3HD1 ILE 55 -0.093 -3.842 9.006 396 H ASN 56 H ASN 56 -2.655 -1.148 12.128 397 HA ASN 56 HA ASN 56 -5.377 -0.990 13.228 398 HB2 ASN 56 1HB ASN 56 -3.384 -1.335 14.919 399 HB3 ASN 56 2HB ASN 56 -3.129 0.386 14.645 400 HD21 ASN 56 1HD2 ASN 56 -3.603 0.361 17.000 401 HD22 ASN 56 2HD2 ASN 56 -5.254 0.513 17.484 402 H TYR 57 H TYR 57 -6.200 0.311 11.652 403 HA TYR 57 HA TYR 57 -4.840 2.493 10.483 404 HB2 TYR 57 1HB TYR 57 -7.812 1.961 10.674 405 HB3 TYR 57 2HB TYR 57 -7.056 3.136 9.605 406 HD1 TYR 57 2HD TYR 57 -4.991 1.966 8.212 407 HD2 TYR 57 1HD TYR 57 -8.502 0.030 9.637 408 HE1 TYR 57 2HE TYR 57 -4.729 0.233 6.487 409 HE2 TYR 57 1HE TYR 57 -8.248 -1.709 7.916 410 HH TYR 57 HH TYR 57 -5.523 -2.311 6.299 411 H ASP 58 H ASP 58 -6.896 2.189 13.303 412 HA ASP 58 HA ASP 58 -7.734 4.677 13.888 413 HB2 ASP 58 1HB ASP 58 -7.764 2.535 15.344 414 HB3 ASP 58 2HB ASP 58 -6.249 3.143 16.006 415 H LEU 59 H LEU 59 -4.405 3.586 13.945 416 HA LEU 59 HA LEU 59 -3.482 6.148 14.984 417 HB2 LEU 59 1HB LEU 59 -1.825 3.793 14.105 418 HB3 LEU 59 2HB LEU 59 -1.311 5.153 15.102 419 HG LEU 59 HG LEU 59 -3.346 3.097 15.955 420 HD11 LEU 59 1HD1 LEU 59 -0.379 3.256 16.386 421 HD12 LEU 59 2HD1 LEU 59 -1.332 1.905 15.773 422 HD13 LEU 59 3HD1 LEU 59 -1.445 2.363 17.471 423 HD21 LEU 59 1HD2 LEU 59 -3.759 4.505 17.618 424 HD22 LEU 59 2HD2 LEU 59 -2.565 5.643 16.993 425 HD23 LEU 59 3HD2 LEU 59 -2.073 4.377 18.119 426 H VAL 60 H VAL 60 -3.449 4.257 12.018 427 HA VAL 60 HA VAL 60 -1.657 5.811 10.530 428 HB VAL 60 HB VAL 60 -4.055 4.280 9.512 429 HG11 VAL 60 1HG1 VAL 60 -1.599 5.337 8.124 430 HG12 VAL 60 2HG1 VAL 60 -2.689 4.143 7.417 431 HG13 VAL 60 3HG1 VAL 60 -3.282 5.759 7.806 432 HG21 VAL 60 1HG2 VAL 60 -2.822 2.360 9.530 433 HG22 VAL 60 2HG2 VAL 60 -1.285 3.212 9.383 434 HG23 VAL 60 3HG2 VAL 60 -2.120 3.163 10.935 435 H LYS 61 H LYS 61 -1.954 7.491 9.058 436 HA LYS 61 HA LYS 61 -4.339 9.128 9.564 437 HB2 LYS 61 1HB LYS 61 -1.539 9.779 8.690 438 HB3 LYS 61 2HB LYS 61 -2.852 10.915 8.412 439 HG2 LYS 61 1HG LYS 61 -2.407 9.802 11.145 440 HG3 LYS 61 2HG LYS 61 -1.391 11.115 10.546 441 HD2 LYS 61 1HD LYS 61 -4.388 11.263 10.430 442 HD3 LYS 61 2HD LYS 61 -3.493 11.738 11.876 443 HE2 LYS 61 1HE LYS 61 -2.761 12.847 9.192 444 HE3 LYS 61 2HE LYS 61 -4.100 13.535 10.110 445 HZ1 LYS 61 1HZ LYS 61 -2.704 14.279 11.758 446 HZ2 LYS 61 2HZ LYS 61 -1.732 14.493 10.391 447 HZ3 LYS 61 3HZ LYS 61 -1.484 13.161 11.404 448 H SER 62 H SER 62 -5.374 10.217 7.807 449 HA SER 62 HA SER 62 -4.747 9.458 5.096 450 HB2 SER 62 1HB SER 62 -7.524 8.735 5.929 451 HB3 SER 62 2HB SER 62 -6.540 8.085 4.617 452 HG SER 62 HG SER 62 -6.158 6.517 5.956 453 H GLY 63 H GLY 63 -5.484 10.929 3.645 454 HA2 GLY 63 1HA GLY 63 -7.409 12.442 3.084 455 HA3 GLY 63 2HA GLY 63 -7.226 13.061 4.719 456 H ASN 64 H ASN 64 -5.260 14.209 5.249 457 HA ASN 64 HA ASN 64 -3.819 15.258 2.913 458 HB2 ASN 64 1HB ASN 64 -4.871 16.949 5.192 459 HB3 ASN 64 2HB ASN 64 -3.951 17.526 3.806 460 HD21 ASN 64 1HD2 ASN 64 -6.972 17.187 5.068 461 HD22 ASN 64 2HD2 ASN 64 -7.902 17.307 3.617 462 H LEU 65 H LEU 65 -2.182 13.741 3.636 463 HA LEU 65 HA LEU 65 -0.915 14.191 6.191 464 HB2 LEU 65 1HB LEU 65 0.294 12.572 3.991 465 HB3 LEU 65 2HB LEU 65 0.395 12.336 5.734 466 HG LEU 65 HG LEU 65 -2.149 11.905 4.185 467 HD11 LEU 65 1HD1 LEU 65 -0.643 9.543 5.043 468 HD12 LEU 65 2HD1 LEU 65 0.103 10.452 3.729 469 HD13 LEU 65 3HD1 LEU 65 -1.543 9.843 3.555 470 HD21 LEU 65 1HD2 LEU 65 -1.213 11.457 6.968 471 HD22 LEU 65 2HD2 LEU 65 -2.326 10.282 6.269 472 HD23 LEU 65 3HD2 LEU 65 -2.788 11.981 6.372 473 H THR 66 H THR 66 0.621 15.634 6.578 474 HA THR 66 HA THR 66 1.829 17.073 4.356 475 HB THR 66 HB THR 66 2.657 18.639 6.011 476 HG1 THR 66 1HG THR 66 1.985 16.562 7.759 477 HG21 THR 66 1HG2 THR 66 0.644 19.590 5.955 478 HG22 THR 66 2HG2 THR 66 0.115 18.550 7.277 479 HG23 THR 66 3HG2 THR 66 -0.092 18.026 5.607 480 H GLU 67 H GLU 67 4.220 17.738 4.781 481 HA GLU 67 HA GLU 67 5.927 15.749 4.236 482 HB2 GLU 67 1HB GLU 67 7.750 17.091 5.156 483 HB3 GLU 67 2HB GLU 67 6.594 18.105 4.304 484 HG2 GLU 67 1HG GLU 67 5.585 18.720 6.467 485 HG3 GLU 67 2HG GLU 67 6.822 17.769 7.285 486 H ASP 68 H ASP 68 4.778 16.580 7.455 487 HA ASP 68 HA ASP 68 6.477 14.668 8.775 488 HB2 ASP 68 1HB ASP 68 5.483 16.852 9.749 489 HB3 ASP 68 2HB ASP 68 4.021 15.901 9.995 490 H ASP 69 H ASP 69 2.926 14.924 8.506 491 HA ASP 69 HA ASP 69 2.213 12.470 9.469 492 HB2 ASP 69 1HB ASP 69 0.940 13.823 7.080 493 HB3 ASP 69 2HB ASP 69 0.178 12.641 8.142 494 H LYS 70 H LYS 70 2.697 13.165 6.001 495 HA LYS 70 HA LYS 70 2.422 10.747 4.870 496 HB2 LYS 70 1HB LYS 70 4.364 12.954 4.358 497 HB3 LYS 70 2HB LYS 70 4.574 11.442 3.485 498 HG2 LYS 70 1HG LYS 70 2.198 11.649 2.730 499 HG3 LYS 70 2HG LYS 70 2.181 13.263 3.444 500 HD2 LYS 70 1HD LYS 70 4.019 13.936 1.986 501 HD3 LYS 70 2HD LYS 70 4.072 12.314 1.290 502 HE2 LYS 70 1HE LYS 70 1.663 12.666 0.614 503 HE3 LYS 70 2HE LYS 70 1.870 14.356 1.072 504 HZ1 LYS 70 1HZ LYS 70 3.640 13.009 -0.884 505 HZ2 LYS 70 2HZ LYS 70 3.476 14.668 -0.597 506 HZ3 LYS 70 3HZ LYS 70 2.222 13.811 -1.342 507 H HIS 71 H HIS 71 5.370 11.820 6.541 508 HA HIS 71 HA HIS 71 6.815 9.426 6.169 509 HB2 HIS 71 1HB HIS 71 7.061 11.789 7.979 510 HB3 HIS 71 2HB HIS 71 8.011 10.351 8.341 511 HD1 HIS 71 1HD HIS 71 10.223 10.274 7.243 512 HD2 HIS 71 2HD HIS 71 7.550 12.679 5.162 513 HE1 HIS 71 1HE HIS 71 11.547 11.271 5.353 514 HE2 HIS 71 2HE HIS 71 9.931 12.789 4.158 515 H ASN 72 H ASN 72 5.088 10.638 9.047 516 HA ASN 72 HA ASN 72 5.425 8.548 10.761 517 HB2 ASN 72 1HB ASN 72 3.055 10.342 10.291 518 HB3 ASN 72 2HB ASN 72 3.023 9.105 11.545 519 HD21 ASN 72 1HD2 ASN 72 2.853 11.933 11.902 520 HD22 ASN 72 2HD2 ASN 72 4.208 12.409 12.864 521 H ASN 73 H ASN 73 3.094 8.752 8.109 522 HA ASN 73 HA ASN 73 1.720 6.360 8.644 523 HB2 ASN 73 1HB ASN 73 2.165 7.870 6.064 524 HB3 ASN 73 2HB ASN 73 1.101 6.473 6.196 525 HD21 ASN 73 1HD2 ASN 73 -0.896 7.211 6.078 526 HD22 ASN 73 2HD2 ASN 73 -1.545 8.523 6.996 527 H ALA 74 H ALA 74 4.417 7.015 6.412 528 HA ALA 74 HA ALA 74 4.749 4.429 5.436 529 HB1 ALA 74 1HB ALA 74 7.314 5.522 5.562 530 HB2 ALA 74 2HB ALA 74 6.186 5.594 4.207 531 HB3 ALA 74 3HB ALA 74 6.227 6.900 5.392 532 H LYS 75 H LYS 75 6.569 6.002 8.073 533 HA LYS 75 HA LYS 75 8.197 4.018 8.906 534 HB2 LYS 75 1HB LYS 75 6.671 6.106 10.388 535 HB3 LYS 75 2HB LYS 75 7.499 4.870 11.326 536 HG2 LYS 75 1HG LYS 75 9.609 5.461 10.241 537 HG3 LYS 75 2HG LYS 75 8.776 6.707 9.309 538 HD2 LYS 75 1HD LYS 75 8.524 6.741 12.276 539 HD3 LYS 75 2HD LYS 75 10.041 7.282 11.553 540 HE2 LYS 75 1HE LYS 75 7.412 8.328 10.570 541 HE3 LYS 75 2HE LYS 75 8.173 9.014 12.004 542 HZ1 LYS 75 1HZ LYS 75 10.182 9.386 10.617 543 HZ2 LYS 75 2HZ LYS 75 8.838 10.291 10.130 544 HZ3 LYS 75 3HZ LYS 75 9.292 8.914 9.258 545 H TYR 76 H TYR 76 4.827 4.378 10.015 546 HA TYR 76 HA TYR 76 4.620 2.175 11.632 547 HB2 TYR 76 1HB TYR 76 2.851 3.936 11.131 548 HB3 TYR 76 2HB TYR 76 2.436 2.982 9.712 549 HD1 TYR 76 1HD TYR 76 3.163 2.202 13.302 550 HD2 TYR 76 2HD TYR 76 0.509 1.762 10.005 551 HE1 TYR 76 1HE TYR 76 1.688 0.800 14.684 552 HE2 TYR 76 2HE TYR 76 -0.974 0.361 11.379 553 HH TYR 76 HH TYR 76 -1.135 0.273 14.410 554 H ALA 77 H ALA 77 3.791 2.234 8.161 555 HA ALA 77 HA ALA 77 3.242 -0.434 7.791 556 HB1 ALA 77 1HB ALA 77 4.710 0.502 5.523 557 HB2 ALA 77 2HB ALA 77 2.973 0.250 5.699 558 HB3 ALA 77 3HB ALA 77 3.688 1.801 6.139 559 H VAL 78 H VAL 78 6.411 1.162 7.656 560 HA VAL 78 HA VAL 78 8.015 -0.897 6.823 561 HB VAL 78 HB VAL 78 8.680 1.069 9.019 562 HG11 VAL 78 1HG1 VAL 78 10.175 -0.982 8.675 563 HG12 VAL 78 2HG1 VAL 78 10.622 -0.236 7.139 564 HG13 VAL 78 3HG1 VAL 78 10.944 0.605 8.656 565 HG21 VAL 78 1HG2 VAL 78 9.679 2.400 7.190 566 HG22 VAL 78 2HG2 VAL 78 9.003 1.261 6.025 567 HG23 VAL 78 3HG2 VAL 78 7.930 2.228 7.037 568 H SER 79 H SER 79 6.889 -0.273 10.132 569 HA SER 79 HA SER 79 8.254 -2.457 11.308 570 HB2 SER 79 1HB SER 79 6.036 -0.637 12.154 571 HB3 SER 79 2HB SER 79 6.340 -2.098 13.094 572 HG SER 79 HG SER 79 7.667 -0.667 14.011 573 H MET 80 H MET 80 4.976 -2.062 10.036 574 HA MET 80 HA MET 80 3.910 -4.511 10.830 575 HB2 MET 80 1HB MET 80 3.326 -2.921 8.326 576 HB3 MET 80 2HB MET 80 2.323 -4.223 8.953 577 HG2 MET 80 1HG MET 80 2.825 -1.520 10.150 578 HG3 MET 80 2HG MET 80 1.296 -2.224 9.627 579 HE1 MET 80 1HE MET 80 1.268 -5.055 10.695 580 HE2 MET 80 2HE MET 80 0.665 -4.950 12.349 581 HE3 MET 80 3HE MET 80 -0.101 -4.008 11.070 582 H ALA 81 H ALA 81 5.111 -3.737 7.558 583 HA ALA 81 HA ALA 81 5.088 -6.145 6.366 584 HB1 ALA 81 1HB ALA 81 7.544 -5.287 5.550 585 HB2 ALA 81 2HB ALA 81 6.005 -4.730 4.892 586 HB3 ALA 81 3HB ALA 81 6.818 -3.795 6.148 587 H ARG 82 H ARG 82 7.721 -5.034 8.493 588 HA ARG 82 HA ARG 82 9.122 -7.512 8.399 589 HB2 ARG 82 1HB ARG 82 10.515 -6.576 10.162 590 HB3 ARG 82 2HB ARG 82 10.236 -5.376 8.907 591 HG2 ARG 82 1HG ARG 82 8.709 -4.180 10.255 592 HG3 ARG 82 2HG ARG 82 8.615 -5.491 11.432 593 HD2 ARG 82 1HD ARG 82 11.218 -4.126 10.849 594 HD3 ARG 82 2HD ARG 82 10.062 -3.423 11.979 595 HE ARG 82 HE ARG 82 10.562 -6.148 12.594 596 HH11 ARG 82 2HH1 ARG 82 11.942 -2.961 12.829 597 HH12 ARG 82 1HH1 ARG 82 12.895 -3.334 14.226 598 HH21 ARG 82 2HH2 ARG 82 11.813 -6.652 14.434 599 HH22 ARG 82 1HH2 ARG 82 12.822 -5.435 15.138 600 H ARG 83 H ARG 83 6.691 -6.132 10.515 601 HA ARG 83 HA ARG 83 6.925 -7.980 12.633 602 HB2 ARG 83 1HB ARG 83 4.837 -6.060 11.711 603 HB3 ARG 83 2HB ARG 83 4.376 -7.288 12.882 604 HG2 ARG 83 1HG ARG 83 6.182 -6.512 14.367 605 HG3 ARG 83 2HG ARG 83 6.558 -5.239 13.204 606 HD2 ARG 83 1HD ARG 83 5.176 -4.079 14.599 607 HD3 ARG 83 2HD ARG 83 3.981 -4.725 13.474 608 HE ARG 83 HE ARG 83 3.089 -5.899 15.208 609 HH11 ARG 83 2HH1 ARG 83 6.394 -5.130 15.986 610 HH12 ARG 83 1HH1 ARG 83 6.310 -5.796 17.583 611 HH21 ARG 83 2HH2 ARG 83 2.966 -6.779 17.309 612 HH22 ARG 83 1HH2 ARG 83 4.360 -6.734 18.334 613 H ILE 84 H ILE 84 5.457 -8.175 9.507 614 HA ILE 84 HA ILE 84 4.009 -10.617 10.223 615 HB ILE 84 HB ILE 84 2.950 -10.475 8.055 616 HG12 ILE 84 1HG1 ILE 84 4.539 -7.965 7.522 617 HG13 ILE 84 2HG1 ILE 84 5.028 -9.545 6.919 618 HG21 ILE 84 1HG2 ILE 84 1.729 -9.226 9.561 619 HG22 ILE 84 2HG2 ILE 84 3.001 -8.021 9.754 620 HG23 ILE 84 3HG2 ILE 84 2.030 -8.049 8.283 621 HD11 ILE 84 1HD1 ILE 84 2.716 -9.657 5.854 622 HD12 ILE 84 2HD1 ILE 84 2.618 -7.928 6.190 623 HD13 ILE 84 3HD1 ILE 84 3.894 -8.552 5.145 624 H GLY 85 H GLY 85 7.050 -9.848 9.324 625 HA2 GLY 85 1HA GLY 85 8.534 -11.790 9.003 626 HA3 GLY 85 2HA GLY 85 7.371 -12.373 7.823 627 H ALA 86 H ALA 86 6.861 -10.141 6.332 628 HA ALA 86 HA ALA 86 8.639 -10.084 4.343 629 HB1 ALA 86 1HB ALA 86 7.722 -8.092 3.595 630 HB2 ALA 86 2HB ALA 86 6.462 -8.725 4.655 631 HB3 ALA 86 3HB ALA 86 7.535 -7.447 5.226 632 H ARG 87 H ARG 87 10.798 -10.183 4.679 633 HA ARG 87 HA ARG 87 12.095 -8.310 6.482 634 HB2 ARG 87 1HB ARG 87 12.664 -10.840 6.093 635 HB3 ARG 87 2HB ARG 87 13.582 -10.225 4.725 636 HG2 ARG 87 1HG ARG 87 14.887 -8.813 6.219 637 HG3 ARG 87 2HG ARG 87 13.951 -9.396 7.597 638 HD2 ARG 87 1HD ARG 87 14.784 -11.621 7.303 639 HD3 ARG 87 2HD ARG 87 15.555 -11.183 5.779 640 HE ARG 87 HE ARG 87 16.543 -9.587 7.903 641 HH11 ARG 87 2HH1 ARG 87 16.733 -12.785 6.539 642 HH12 ARG 87 1HH1 ARG 87 18.332 -13.085 7.134 643 HH21 ARG 87 2HH2 ARG 87 18.648 -9.971 8.692 644 HH22 ARG 87 1HH2 ARG 87 19.420 -11.484 8.360 645 H VAL 88 H VAL 88 11.484 -6.420 5.204 646 HA VAL 88 HA VAL 88 13.319 -6.007 2.934 647 HB VAL 88 HB VAL 88 10.940 -6.111 2.219 648 HG11 VAL 88 1HG1 VAL 88 10.259 -3.471 3.241 649 HG12 VAL 88 2HG1 VAL 88 9.302 -4.953 3.204 650 HG13 VAL 88 3HG1 VAL 88 10.450 -4.676 4.514 651 HG21 VAL 88 1HG2 VAL 88 12.679 -4.766 1.033 652 HG22 VAL 88 2HG2 VAL 88 11.030 -4.186 0.799 653 HG23 VAL 88 3HG2 VAL 88 12.109 -3.349 1.915 654 H TYR 89 H TYR 89 11.867 -4.722 5.834 655 HA TYR 89 HA TYR 89 12.138 -2.695 6.912 656 HB2 TYR 89 1HB TYR 89 14.619 -2.370 7.456 657 HB3 TYR 89 2HB TYR 89 13.894 -3.906 7.917 658 HD1 TYR 89 2HD TYR 89 14.434 -5.957 6.670 659 HD2 TYR 89 1HD TYR 89 16.329 -2.255 5.771 660 HE1 TYR 89 2HE TYR 89 16.175 -7.159 5.416 661 HE2 TYR 89 1HE TYR 89 18.074 -3.447 4.513 662 HH TYR 89 HH TYR 89 19.070 -5.744 4.470 663 H ALA 90 H ALA 90 11.557 -2.092 4.317 664 HA ALA 90 HA ALA 90 13.476 -0.484 3.006 665 HB1 ALA 90 1HB ALA 90 11.851 -0.048 1.456 666 HB2 ALA 90 2HB ALA 90 11.199 -1.517 2.183 667 HB3 ALA 90 3HB ALA 90 10.570 0.059 2.664 668 H LEU 91 H LEU 91 14.286 1.383 3.673 669 HA LEU 91 HA LEU 91 13.729 2.844 5.853 670 HB2 LEU 91 1HB LEU 91 14.434 4.020 3.169 671 HB3 LEU 91 2HB LEU 91 14.655 4.809 4.730 672 HG LEU 91 HG LEU 91 16.059 2.271 3.903 673 HD11 LEU 91 1HD1 LEU 91 18.030 4.022 3.920 674 HD12 LEU 91 2HD1 LEU 91 16.732 5.138 3.497 675 HD13 LEU 91 3HD1 LEU 91 17.061 3.740 2.473 676 HD21 LEU 91 1HD2 LEU 91 15.653 3.286 6.406 677 HD22 LEU 91 2HD2 LEU 91 17.206 3.997 5.967 678 HD23 LEU 91 3HD2 LEU 91 16.998 2.246 5.935 679 HA PRO 92 HA PRO 92 9.708 4.596 5.481 680 HB2 PRO 92 1HB PRO 92 9.986 6.685 7.193 681 HB3 PRO 92 2HB PRO 92 9.843 5.010 7.737 682 HG2 PRO 92 1HG PRO 92 12.297 6.694 7.414 683 HG3 PRO 92 2HG PRO 92 11.864 5.589 8.732 684 HD2 PRO 92 1HD PRO 92 13.590 4.902 6.761 685 HD3 PRO 92 2HD PRO 92 12.523 3.722 7.551 686 H GLU 93 H GLU 93 12.557 6.210 4.522 687 HA GLU 93 HA GLU 93 11.226 8.619 3.619 688 HB2 GLU 93 1HB GLU 93 14.051 7.684 3.085 689 HB3 GLU 93 2HB GLU 93 13.416 9.301 2.815 690 HG2 GLU 93 1HG GLU 93 12.987 9.466 5.262 691 HG3 GLU 93 2HG GLU 93 13.820 7.925 5.457 692 H ASP 94 H ASP 94 12.553 5.664 2.229 693 HA ASP 94 HA ASP 94 12.396 6.315 -0.473 694 HB2 ASP 94 1HB ASP 94 12.340 3.765 1.075 695 HB3 ASP 94 2HB ASP 94 11.901 3.710 -0.630 696 H LEU 95 H LEU 95 9.914 5.160 1.740 697 HA LEU 95 HA LEU 95 7.929 4.793 -0.289 698 HB2 LEU 95 1HB LEU 95 7.810 4.943 2.711 699 HB3 LEU 95 2HB LEU 95 6.372 4.732 1.714 700 HG LEU 95 HG LEU 95 8.629 2.812 1.393 701 HD11 LEU 95 1HD1 LEU 95 7.011 3.171 3.829 702 HD12 LEU 95 2HD1 LEU 95 8.593 2.424 3.612 703 HD13 LEU 95 3HD1 LEU 95 7.131 1.523 3.214 704 HD21 LEU 95 1HD2 LEU 95 5.936 1.779 1.542 705 HD22 LEU 95 2HD2 LEU 95 7.113 1.671 0.233 706 HD23 LEU 95 3HD2 LEU 95 6.062 3.082 0.360 707 H VAL 96 H VAL 96 8.849 7.392 1.883 708 HA VAL 96 HA VAL 96 6.581 9.030 1.502 709 HB VAL 96 HB VAL 96 9.398 9.616 2.374 710 HG11 VAL 96 1HG1 VAL 96 8.199 11.888 3.044 711 HG12 VAL 96 2HG1 VAL 96 9.016 11.681 1.494 712 HG13 VAL 96 3HG1 VAL 96 7.262 11.522 1.596 713 HG21 VAL 96 1HG2 VAL 96 8.591 9.547 4.491 714 HG22 VAL 96 2HG2 VAL 96 7.023 10.212 4.033 715 HG23 VAL 96 3HG2 VAL 96 7.378 8.510 3.740 716 H GLU 97 H GLU 97 9.783 9.054 -0.055 717 HA GLU 97 HA GLU 97 9.009 11.105 -1.916 718 HB2 GLU 97 1HB GLU 97 11.451 9.328 -1.800 719 HB3 GLU 97 2HB GLU 97 11.232 10.643 -2.946 720 HG2 GLU 97 1HG GLU 97 10.993 11.208 -0.033 721 HG3 GLU 97 2HG GLU 97 12.592 10.991 -0.743 722 H VAL 98 H VAL 98 8.563 7.769 -1.732 723 HA VAL 98 HA VAL 98 7.645 6.250 -3.160 724 HB VAL 98 HB VAL 98 7.259 8.533 -5.096 725 HG11 VAL 98 1HG1 VAL 98 6.690 5.754 -5.223 726 HG12 VAL 98 2HG1 VAL 98 5.159 6.626 -5.127 727 HG13 VAL 98 3HG1 VAL 98 6.315 7.009 -6.403 728 HG21 VAL 98 1HG2 VAL 98 5.470 9.290 -3.951 729 HG22 VAL 98 2HG2 VAL 98 5.009 7.681 -3.396 730 HG23 VAL 98 3HG2 VAL 98 6.297 8.562 -2.574 731 H LYS 99 H LYS 99 10.455 6.674 -3.158 732 HA LYS 99 HA LYS 99 11.573 6.837 -5.732 733 HB2 LYS 99 1HB LYS 99 12.630 5.367 -3.309 734 HB3 LYS 99 2HB LYS 99 13.568 5.816 -4.727 735 HG2 LYS 99 1HG LYS 99 13.070 8.202 -4.221 736 HG3 LYS 99 2HG LYS 99 12.307 7.671 -2.721 737 HD2 LYS 99 1HD LYS 99 14.376 6.761 -1.919 738 HD3 LYS 99 2HD LYS 99 15.160 7.049 -3.474 739 HE2 LYS 99 1HE LYS 99 13.957 9.330 -1.963 740 HE3 LYS 99 2HE LYS 99 15.536 8.703 -1.493 741 HZ1 LYS 99 1HZ LYS 99 16.438 9.247 -3.571 742 HZ2 LYS 99 2HZ LYS 99 15.516 10.597 -3.137 743 HZ3 LYS 99 3HZ LYS 99 14.921 9.497 -4.277 744 HA PRO 100 HA PRO 100 10.158 2.942 -7.352 745 HB2 PRO 100 1HB PRO 100 11.494 3.110 -9.709 746 HB3 PRO 100 2HB PRO 100 10.013 4.017 -9.377 747 HG2 PRO 100 1HG PRO 100 12.862 4.927 -9.245 748 HG3 PRO 100 2HG PRO 100 11.449 5.766 -9.912 749 HD2 PRO 100 1HD PRO 100 12.458 6.332 -7.464 750 HD3 PRO 100 2HD PRO 100 10.728 6.465 -7.837 751 H LYS 101 H LYS 101 13.209 3.752 -6.271 752 HA LYS 101 HA LYS 101 14.679 1.509 -7.286 753 HB2 LYS 101 1HB LYS 101 15.199 3.584 -5.174 754 HB3 LYS 101 2HB LYS 101 16.276 2.207 -5.369 755 HG2 LYS 101 1HG LYS 101 16.769 2.854 -7.636 756 HG3 LYS 101 2HG LYS 101 15.589 4.164 -7.552 757 HD2 LYS 101 1HD LYS 101 17.664 5.205 -7.207 758 HD3 LYS 101 2HD LYS 101 16.969 5.046 -5.591 759 HE2 LYS 101 1HE LYS 101 18.282 2.810 -5.525 760 HE3 LYS 101 2HE LYS 101 19.208 3.509 -6.853 761 HZ1 LYS 101 1HZ LYS 101 18.798 4.991 -4.332 762 HZ2 LYS 101 2HZ LYS 101 19.993 5.215 -5.508 763 HZ3 LYS 101 3HZ LYS 101 20.052 3.866 -4.489 764 H MET 102 H MET 102 13.286 2.333 -4.113 765 HA MET 102 HA MET 102 13.640 -0.453 -3.277 766 HB2 MET 102 1HB MET 102 13.237 2.127 -1.815 767 HB3 MET 102 2HB MET 102 12.795 0.615 -1.033 768 HG2 MET 102 1HG MET 102 15.131 -0.186 -1.526 769 HG3 MET 102 2HG MET 102 15.506 1.470 -1.997 770 HE1 MET 102 1HE MET 102 15.799 -0.286 2.040 771 HE2 MET 102 2HE MET 102 14.319 -0.772 1.214 772 HE3 MET 102 3HE MET 102 15.882 -0.999 0.429 773 H VAL 103 H VAL 103 11.167 2.059 -3.594 774 HA VAL 103 HA VAL 103 8.973 0.718 -2.574 775 HB VAL 103 HB VAL 103 9.022 2.591 -4.945 776 HG11 VAL 103 1HG1 VAL 103 6.811 1.402 -3.334 777 HG12 VAL 103 2HG1 VAL 103 6.633 3.039 -3.969 778 HG13 VAL 103 3HG1 VAL 103 6.910 1.689 -5.071 779 HG21 VAL 103 1HG2 VAL 103 8.473 3.206 -2.045 780 HG22 VAL 103 2HG2 VAL 103 10.024 3.476 -2.840 781 HG23 VAL 103 3HG2 VAL 103 8.594 4.356 -3.378 782 H MET 104 H MET 104 10.772 0.041 -5.410 783 HA MET 104 HA MET 104 8.712 -1.308 -6.860 784 HB2 MET 104 1HB MET 104 10.616 -0.424 -8.053 785 HB3 MET 104 2HB MET 104 11.723 -1.396 -7.093 786 HG2 MET 104 1HG MET 104 10.302 -3.379 -8.072 787 HG3 MET 104 2HG MET 104 9.939 -2.197 -9.327 788 HE1 MET 104 1HE MET 104 12.650 -4.053 -7.352 789 HE2 MET 104 2HE MET 104 12.183 -5.116 -8.680 790 HE3 MET 104 3HE MET 104 13.816 -4.450 -8.615 791 H THR 105 H THR 105 11.287 -2.315 -4.659 792 HA THR 105 HA THR 105 10.549 -5.110 -4.895 793 HB THR 105 HB THR 105 12.911 -4.575 -4.643 794 HG1 THR 105 1HG THR 105 11.739 -6.436 -3.449 795 HG21 THR 105 1HG2 THR 105 12.940 -2.561 -3.414 796 HG22 THR 105 2HG2 THR 105 13.671 -3.762 -2.348 797 HG23 THR 105 3HG2 THR 105 12.000 -3.258 -2.096 798 H VAL 106 H VAL 106 10.024 -2.430 -2.730 799 HA VAL 106 HA VAL 106 9.288 -3.727 -0.393 800 HB VAL 106 HB VAL 106 8.233 -1.174 -1.603 801 HG11 VAL 106 1HG1 VAL 106 7.515 -2.552 0.944 802 HG12 VAL 106 2HG1 VAL 106 7.565 -0.789 0.894 803 HG13 VAL 106 3HG1 VAL 106 6.487 -1.673 -0.187 804 HG21 VAL 106 1HG2 VAL 106 10.562 -1.920 -0.039 805 HG22 VAL 106 2HG2 VAL 106 10.233 -0.439 -0.938 806 HG23 VAL 106 3HG2 VAL 106 9.637 -0.619 0.712 807 H PHE 107 H PHE 107 7.532 -3.347 -3.387 808 HA PHE 107 HA PHE 107 5.051 -4.327 -2.249 809 HB2 PHE 107 1HB PHE 107 5.911 -3.281 -4.908 810 HB3 PHE 107 2HB PHE 107 4.489 -4.317 -4.843 811 HD1 PHE 107 1HD PHE 107 2.977 -3.610 -2.621 812 HD2 PHE 107 2HD PHE 107 5.392 -1.061 -5.027 813 HE1 PHE 107 1HE PHE 107 1.602 -1.682 -1.952 814 HE2 PHE 107 2HE PHE 107 4.022 0.871 -4.360 815 HZ PHE 107 HZ PHE 107 2.125 0.563 -2.821 816 H ALA 108 H ALA 108 7.701 -5.500 -4.222 817 HA ALA 108 HA ALA 108 6.493 -7.939 -5.016 818 HB1 ALA 108 1HB ALA 108 8.288 -7.386 -6.344 819 HB2 ALA 108 2HB ALA 108 9.285 -6.887 -4.977 820 HB3 ALA 108 3HB ALA 108 9.005 -8.601 -5.285 821 H CYS 109 H CYS 109 8.554 -7.028 -2.290 822 HA CYS 109 HA CYS 109 8.970 -9.605 -1.257 823 HB2 CYS 109 1HB CYS 109 9.592 -8.489 0.820 824 HB3 CYS 109 2HB CYS 109 10.267 -7.628 -0.557 825 HG CYS 109 HG CYS 109 7.703 -6.667 1.472 826 H LEU 110 H LEU 110 6.464 -7.193 -0.562 827 HA LEU 110 HA LEU 110 5.147 -8.487 1.502 828 HB2 LEU 110 1HB LEU 110 4.077 -6.743 -0.705 829 HB3 LEU 110 2HB LEU 110 3.101 -7.283 0.660 830 HG LEU 110 HG LEU 110 5.636 -5.720 1.056 831 HD11 LEU 110 1HD1 LEU 110 2.935 -4.755 0.251 832 HD12 LEU 110 2HD1 LEU 110 4.529 -4.164 -0.215 833 HD13 LEU 110 3HD1 LEU 110 3.888 -3.801 1.387 834 HD21 LEU 110 1HD2 LEU 110 3.497 -6.788 2.724 835 HD22 LEU 110 2HD2 LEU 110 3.814 -5.076 3.007 836 HD23 LEU 110 3HD2 LEU 110 5.120 -6.252 3.163 837 H MET 111 H MET 111 4.511 -8.741 -1.994 838 HA MET 111 HA MET 111 2.449 -10.632 -1.814 839 HB2 MET 111 1HB MET 111 2.793 -9.413 -3.859 840 HB3 MET 111 2HB MET 111 4.419 -10.060 -4.030 841 HG2 MET 111 1HG MET 111 3.115 -12.358 -4.021 842 HG3 MET 111 2HG MET 111 1.799 -11.329 -4.584 843 HE1 MET 111 1HE MET 111 3.807 -9.109 -6.327 844 HE2 MET 111 2HE MET 111 3.218 -9.797 -7.841 845 HE3 MET 111 3HE MET 111 2.119 -9.597 -6.475 846 H GLY 112 H GLY 112 5.923 -10.967 -1.724 847 HA2 GLY 112 1HA GLY 112 6.444 -13.530 -2.408 848 HA3 GLY 112 2HA GLY 112 7.176 -12.772 -1.001 849 H ARG 113 H ARG 113 5.102 -12.555 0.742 850 HA ARG 113 HA ARG 113 4.700 -15.336 1.475 851 HB2 ARG 113 1HB ARG 113 4.127 -12.748 2.924 852 HB3 ARG 113 2HB ARG 113 3.775 -14.337 3.588 853 HG2 ARG 113 1HG ARG 113 6.168 -14.903 3.429 854 HG3 ARG 113 2HG ARG 113 6.490 -13.267 2.850 855 HD2 ARG 113 1HD ARG 113 6.952 -13.423 5.225 856 HD3 ARG 113 2HD ARG 113 5.573 -12.362 4.940 857 HE ARG 113 HE ARG 113 5.556 -14.926 6.282 858 HH11 ARG 113 2HH1 ARG 113 3.686 -12.425 4.743 859 HH12 ARG 113 1HH1 ARG 113 2.206 -12.868 5.528 860 HH21 ARG 113 2HH2 ARG 113 3.615 -15.519 7.322 861 HH22 ARG 113 1HH2 ARG 113 2.167 -14.627 6.996 862 H GLY 114 H GLY 114 2.833 -12.578 0.393 863 HA2 GLY 114 1HA GLY 114 0.262 -13.560 1.036 864 HA3 GLY 114 2HA GLY 114 0.623 -12.350 -0.187 865 H MET 115 H MET 115 1.535 -13.242 -2.270 866 HA MET 115 HA MET 115 -0.283 -15.073 -3.375 867 HB2 MET 115 1HB MET 115 1.221 -13.270 -4.509 868 HB3 MET 115 2HB MET 115 2.405 -14.567 -4.605 869 HG2 MET 115 1HG MET 115 0.340 -15.864 -5.638 870 HG3 MET 115 2HG MET 115 -0.163 -14.224 -6.039 871 HE1 MET 115 1HE MET 115 -0.147 -14.412 -8.530 872 HE2 MET 115 2HE MET 115 0.705 -12.931 -8.093 873 HE3 MET 115 3HE MET 115 1.330 -13.960 -9.383 874 H LYS 116 H LYS 116 -0.360 -17.213 -3.284 875 HA LYS 116 HA LYS 116 1.911 -18.684 -2.210 876 HB2 LYS 116 1HB LYS 116 -0.564 -18.968 -1.507 877 HB3 LYS 116 2HB LYS 116 -0.728 -19.892 -2.995 878 HG2 LYS 116 1HG LYS 116 -0.261 -21.586 -1.562 879 HG3 LYS 116 2HG LYS 116 1.387 -21.147 -2.017 880 HD2 LYS 116 1HD LYS 116 -0.029 -20.024 0.394 881 HD3 LYS 116 2HD LYS 116 1.001 -21.456 0.448 882 HE2 LYS 116 1HE LYS 116 2.536 -19.860 1.001 883 HE3 LYS 116 2HE LYS 116 2.708 -19.837 -0.753 884 HZ1 LYS 116 1HZ LYS 116 1.554 -17.839 1.026 885 HZ2 LYS 116 2HZ LYS 116 0.793 -18.045 -0.470 886 HZ3 LYS 116 3HZ LYS 116 2.433 -17.636 -0.405 887 H ARG 117 H ARG 117 3.421 -19.023 -3.751 888 HA ARG 117 HA ARG 117 2.636 -19.829 -6.429 889 HB2 ARG 117 1HB ARG 117 4.990 -19.651 -6.979 890 HB3 ARG 117 2HB ARG 117 4.482 -18.218 -6.095 891 HG2 ARG 117 1HG ARG 117 5.356 -19.655 -4.039 892 HG3 ARG 117 2HG ARG 117 6.349 -20.374 -5.309 893 HD2 ARG 117 1HD ARG 117 6.162 -17.412 -5.194 894 HD3 ARG 117 2HD ARG 117 7.121 -18.225 -3.958 895 HE ARG 117 HE ARG 117 8.021 -19.321 -6.261 896 HH11 ARG 117 2HH1 ARG 117 7.604 -16.041 -5.171 897 HH12 ARG 117 1HH1 ARG 117 8.919 -15.422 -6.115 898 HH21 ARG 117 2HH2 ARG 117 9.754 -18.518 -7.509 899 HH22 ARG 117 1HH2 ARG 117 10.140 -16.832 -7.445 900 H VAL 118 H VAL 118 4.245 -21.616 -7.355 901 HA VAL 118 HA VAL 118 3.660 -24.005 -5.802 902 HB VAL 118 HB VAL 118 4.790 -23.704 -8.588 903 HG11 VAL 118 1HG1 VAL 118 4.332 -26.104 -8.819 904 HG12 VAL 118 2HG1 VAL 118 5.530 -25.783 -7.564 905 HG13 VAL 118 3HG1 VAL 118 3.869 -26.173 -7.119 906 HG21 VAL 118 1HG2 VAL 118 2.687 -23.818 -9.410 907 HG22 VAL 118 2HG2 VAL 118 2.123 -24.880 -8.120 908 HG23 VAL 118 3HG2 VAL 118 2.270 -23.146 -7.834 909 H SER 119 H SER 119 5.218 -23.653 -4.123 910 HA SER 119 HA SER 119 7.707 -24.944 -4.636 911 HB2 SER 119 1HB SER 119 9.137 -23.017 -3.860 912 HB3 SER 119 2HB SER 119 8.424 -22.804 -5.458 913 HG SER 119 HG SER 119 8.262 -21.129 -3.518 914 H GLY 120 H GLY 120 9.185 -24.499 -2.515 915 HA2 GLY 120 1HA GLY 120 9.191 -24.272 -0.144 916 HA3 GLY 120 2HA GLY 120 7.443 -24.450 -0.152 917 HA PRO 121 HA PRO 121 9.191 -28.470 1.267 918 HB2 PRO 121 1HB PRO 121 7.297 -28.870 3.170 919 HB3 PRO 121 2HB PRO 121 8.759 -27.918 3.455 920 HG2 PRO 121 1HG PRO 121 5.988 -26.987 2.810 921 HG3 PRO 121 2HG PRO 121 7.137 -26.342 3.997 922 HD2 PRO 121 1HD PRO 121 6.746 -25.195 1.575 923 HD3 PRO 121 2HD PRO 121 8.317 -25.166 2.403 924 H SER 122 H SER 122 8.024 -30.598 1.483 925 HA SER 122 HA SER 122 6.081 -30.813 -0.680 926 HB2 SER 122 1HB SER 122 7.594 -32.946 0.846 927 HB3 SER 122 2HB SER 122 6.516 -33.249 -0.516 928 HG SER 122 HG SER 122 8.993 -32.881 -0.761 929 H SER 123 H SER 123 4.908 -29.598 1.411 930 HA SER 123 HA SER 123 3.612 -31.497 3.150 931 HB2 SER 123 1HB SER 123 3.441 -28.524 2.760 932 HB3 SER 123 2HB SER 123 2.219 -29.364 3.715 933 HG SER 123 HG SER 123 4.879 -28.858 4.282 934 H GLY 124 H GLY 124 2.017 -32.758 2.467 935 HA2 GLY 124 1HA GLY 124 -0.299 -31.666 1.186 936 HA3 GLY 124 2HA GLY 124 0.665 -32.632 0.079 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.156 -17.428 -12.738 2 HA2 GLY 1 1HA GLY 1 1.313 -16.395 -10.950 3 HA3 GLY 1 2HA GLY 1 0.016 -16.838 -9.850 4 H SER 2 H SER 2 2.608 -18.035 -11.870 5 HA SER 2 HA SER 2 2.209 -20.793 -11.316 6 HB2 SER 2 1HB SER 2 4.354 -21.143 -12.343 7 HB3 SER 2 2HB SER 2 3.537 -19.868 -13.246 8 HG SER 2 HG SER 2 5.189 -18.665 -12.809 9 H SER 3 H SER 3 4.102 -22.066 -10.268 10 HA SER 3 HA SER 3 4.076 -21.607 -7.534 11 HB2 SER 3 1HB SER 3 5.788 -23.315 -7.362 12 HB3 SER 3 2HB SER 3 4.655 -23.774 -8.633 13 HG SER 3 HG SER 3 7.223 -23.617 -8.870 14 H GLY 4 H GLY 4 4.724 -19.694 -6.716 15 HA2 GLY 4 1HA GLY 4 6.204 -18.116 -5.935 16 HA3 GLY 4 2HA GLY 4 7.506 -19.140 -6.523 17 H SER 5 H SER 5 4.866 -17.328 -8.094 18 HA SER 5 HA SER 5 6.669 -16.491 -10.195 19 HB2 SER 5 1HB SER 5 4.682 -15.474 -11.208 20 HB3 SER 5 2HB SER 5 4.347 -17.136 -10.722 21 HG SER 5 HG SER 5 3.102 -16.430 -9.095 22 H SER 6 H SER 6 8.079 -14.945 -9.636 23 HA SER 6 HA SER 6 7.343 -12.810 -7.831 24 HB2 SER 6 1HB SER 6 9.616 -13.863 -7.826 25 HB3 SER 6 2HB SER 6 9.904 -13.144 -9.410 26 HG SER 6 HG SER 6 9.102 -11.542 -7.239 27 H GLY 7 H GLY 7 7.194 -10.625 -8.332 28 HA2 GLY 7 1HA GLY 7 6.314 -10.073 -11.037 29 HA3 GLY 7 2HA GLY 7 6.232 -8.976 -9.667 30 H ASN 8 H ASN 8 7.297 -8.835 -12.543 31 HA ASN 8 HA ASN 8 10.102 -8.248 -12.140 32 HB2 ASN 8 1HB ASN 8 8.859 -9.190 -14.283 33 HB3 ASN 8 2HB ASN 8 8.659 -7.477 -14.638 34 HD21 ASN 8 1HD2 ASN 8 11.150 -9.785 -13.623 35 HD22 ASN 8 2HD2 ASN 8 12.417 -9.098 -14.576 36 H ASP 9 H ASP 9 7.536 -6.299 -13.658 37 HA ASP 9 HA ASP 9 8.502 -3.979 -12.125 38 HB2 ASP 9 1HB ASP 9 7.703 -2.737 -14.346 39 HB3 ASP 9 2HB ASP 9 9.345 -3.344 -14.155 40 H ASP 10 H ASP 10 5.859 -4.846 -14.362 41 HA ASP 10 HA ASP 10 3.994 -3.327 -12.714 42 HB2 ASP 10 1HB ASP 10 2.407 -3.659 -14.548 43 HB3 ASP 10 2HB ASP 10 3.930 -3.013 -15.151 44 H ILE 11 H ILE 11 4.874 -6.595 -13.428 45 HA ILE 11 HA ILE 11 2.575 -8.002 -12.827 46 HB ILE 11 HB ILE 11 5.442 -8.708 -12.207 47 HG12 ILE 11 1HG1 ILE 11 3.631 -9.744 -14.391 48 HG13 ILE 11 2HG1 ILE 11 4.718 -8.378 -14.611 49 HG21 ILE 11 1HG2 ILE 11 2.920 -10.303 -11.906 50 HG22 ILE 11 2HG2 ILE 11 4.478 -11.082 -12.179 51 HG23 ILE 11 3HG2 ILE 11 4.234 -10.078 -10.750 52 HD11 ILE 11 1HD1 ILE 11 6.520 -10.069 -13.758 53 HD12 ILE 11 2HD1 ILE 11 5.340 -11.266 -14.294 54 HD13 ILE 11 3HD1 ILE 11 5.984 -10.087 -15.438 55 H ILE 12 H ILE 12 4.773 -6.344 -10.683 56 HA ILE 12 HA ILE 12 3.852 -7.545 -8.269 57 HB ILE 12 HB ILE 12 5.261 -4.906 -8.686 58 HG12 ILE 12 1HG1 ILE 12 6.397 -7.569 -7.814 59 HG13 ILE 12 2HG1 ILE 12 6.472 -6.966 -9.466 60 HG21 ILE 12 1HG2 ILE 12 3.987 -5.894 -6.397 61 HG22 ILE 12 2HG2 ILE 12 5.712 -6.146 -6.135 62 HG23 ILE 12 3HG2 ILE 12 5.103 -4.532 -6.503 63 HD11 ILE 12 1HD1 ILE 12 8.184 -5.617 -9.009 64 HD12 ILE 12 2HD1 ILE 12 7.478 -5.079 -7.485 65 HD13 ILE 12 3HD1 ILE 12 8.375 -6.595 -7.555 66 H VAL 13 H VAL 13 3.222 -4.383 -9.786 67 HA VAL 13 HA VAL 13 1.435 -3.373 -7.926 68 HB VAL 13 HB VAL 13 1.303 -2.966 -10.917 69 HG11 VAL 13 1HG1 VAL 13 -0.504 -1.760 -10.423 70 HG12 VAL 13 2HG1 VAL 13 -0.207 -1.886 -8.688 71 HG13 VAL 13 3HG1 VAL 13 0.586 -0.623 -9.630 72 HG21 VAL 13 1HG2 VAL 13 2.606 -0.965 -9.189 73 HG22 VAL 13 2HG2 VAL 13 3.480 -2.482 -9.404 74 HG23 VAL 13 3HG2 VAL 13 3.031 -1.517 -10.810 75 H ASN 14 H ASN 14 0.791 -5.434 -10.740 76 HA ASN 14 HA ASN 14 -1.964 -5.472 -10.706 77 HB2 ASN 14 1HB ASN 14 0.098 -7.501 -11.487 78 HB3 ASN 14 2HB ASN 14 -1.605 -7.949 -11.499 79 HD21 ASN 14 1HD2 ASN 14 0.866 -6.712 -13.299 80 HD22 ASN 14 2HD2 ASN 14 -0.050 -5.949 -14.549 81 H TRP 15 H TRP 15 0.245 -7.591 -8.895 82 HA TRP 15 HA TRP 15 -1.753 -9.076 -7.584 83 HB2 TRP 15 1HB TRP 15 0.654 -9.727 -7.752 84 HB3 TRP 15 2HB TRP 15 1.033 -8.476 -6.572 85 HD1 TRP 15 HD TRP 15 -0.433 -11.969 -6.864 86 HE1 TRP 15 1HE TRP 15 -0.741 -12.949 -4.504 87 HE3 TRP 15 3HE TRP 15 0.554 -7.776 -4.110 88 HZ2 TRP 15 2HZ TRP 15 -0.587 -12.061 -1.829 89 HZ3 TRP 15 3HZ TRP 15 0.452 -7.926 -1.656 90 HH2 TRP 15 HH TRP 15 -0.108 -10.025 -0.541 91 H VAL 16 H VAL 16 0.080 -6.210 -6.558 92 HA VAL 16 HA VAL 16 -0.789 -5.883 -3.992 93 HB VAL 16 HB VAL 16 -0.512 -3.667 -6.027 94 HG11 VAL 16 1HG1 VAL 16 0.292 -2.883 -3.429 95 HG12 VAL 16 2HG1 VAL 16 -1.056 -2.270 -4.390 96 HG13 VAL 16 3HG1 VAL 16 -1.300 -3.629 -3.292 97 HG21 VAL 16 1HG2 VAL 16 1.446 -5.310 -4.537 98 HG22 VAL 16 2HG2 VAL 16 1.581 -4.539 -6.118 99 HG23 VAL 16 3HG2 VAL 16 1.776 -3.582 -4.650 100 H ASN 17 H ASN 17 -2.508 -4.919 -6.943 101 HA ASN 17 HA ASN 17 -4.711 -3.726 -5.642 102 HB2 ASN 17 1HB ASN 17 -4.141 -4.704 -8.401 103 HB3 ASN 17 2HB ASN 17 -5.821 -4.406 -7.964 104 HD21 ASN 17 1HD2 ASN 17 -2.627 -2.884 -7.781 105 HD22 ASN 17 2HD2 ASN 17 -3.183 -1.281 -8.108 106 H ARG 18 H ARG 18 -4.326 -6.955 -7.097 107 HA ARG 18 HA ARG 18 -6.832 -7.976 -6.510 108 HB2 ARG 18 1HB ARG 18 -5.183 -9.119 -7.935 109 HB3 ARG 18 2HB ARG 18 -4.198 -9.460 -6.518 110 HG2 ARG 18 1HG ARG 18 -5.633 -11.074 -5.738 111 HG3 ARG 18 2HG ARG 18 -7.026 -10.394 -6.581 112 HD2 ARG 18 1HD ARG 18 -5.774 -11.046 -8.732 113 HD3 ARG 18 2HD ARG 18 -4.786 -12.058 -7.679 114 HE ARG 18 HE ARG 18 -7.396 -12.688 -7.081 115 HH11 ARG 18 2HH1 ARG 18 -5.370 -12.753 -9.911 116 HH12 ARG 18 1HH1 ARG 18 -6.197 -14.094 -10.632 117 HH21 ARG 18 2HH2 ARG 18 -8.493 -14.454 -8.020 118 HH22 ARG 18 1HH2 ARG 18 -7.974 -15.060 -9.556 119 H THR 19 H THR 19 -3.926 -7.898 -4.492 120 HA THR 19 HA THR 19 -4.980 -9.396 -2.342 121 HB THR 19 HB THR 19 -2.808 -7.292 -2.264 122 HG1 THR 19 1HG THR 19 -2.280 -8.959 -3.704 123 HG21 THR 19 1HG2 THR 19 -2.109 -9.004 -0.352 124 HG22 THR 19 2HG2 THR 19 -3.855 -9.248 -0.286 125 HG23 THR 19 3HG2 THR 19 -3.178 -7.639 -0.036 126 H LEU 20 H LEU 20 -4.995 -5.952 -3.095 127 HA LEU 20 HA LEU 20 -5.979 -5.043 -0.614 128 HB2 LEU 20 1HB LEU 20 -6.029 -3.915 -3.393 129 HB3 LEU 20 2HB LEU 20 -6.799 -3.078 -2.047 130 HG LEU 20 HG LEU 20 -3.920 -3.858 -1.849 131 HD11 LEU 20 1HD1 LEU 20 -3.155 -2.267 -3.237 132 HD12 LEU 20 2HD1 LEU 20 -4.474 -1.157 -2.865 133 HD13 LEU 20 3HD1 LEU 20 -4.722 -2.464 -4.023 134 HD21 LEU 20 1HD2 LEU 20 -4.184 -2.795 0.082 135 HD22 LEU 20 2HD2 LEU 20 -5.820 -2.302 -0.355 136 HD23 LEU 20 3HD2 LEU 20 -4.442 -1.306 -0.827 137 H SER 21 H SER 21 -7.625 -5.927 -3.631 138 HA SER 21 HA SER 21 -10.234 -5.307 -2.774 139 HB2 SER 21 1HB SER 21 -9.585 -5.677 -5.148 140 HB3 SER 21 2HB SER 21 -9.404 -7.397 -4.802 141 HG SER 21 HG SER 21 -11.447 -7.084 -5.618 142 H GLU 22 H GLU 22 -8.399 -8.343 -2.713 143 HA GLU 22 HA GLU 22 -10.157 -10.203 -1.936 144 HB2 GLU 22 1HB GLU 22 -7.388 -9.633 -0.950 145 HB3 GLU 22 2HB GLU 22 -8.310 -10.943 -0.225 146 HG2 GLU 22 1HG GLU 22 -8.675 -11.615 -2.749 147 HG3 GLU 22 2HG GLU 22 -7.184 -10.698 -2.959 148 H ALA 23 H ALA 23 -8.784 -7.772 0.261 149 HA ALA 23 HA ALA 23 -10.523 -8.619 2.421 150 HB1 ALA 23 1HB ALA 23 -9.264 -6.185 3.082 151 HB2 ALA 23 2HB ALA 23 -8.860 -7.808 3.644 152 HB3 ALA 23 3HB ALA 23 -8.081 -7.154 2.203 153 H GLY 24 H GLY 24 -10.250 -5.949 0.139 154 HA2 GLY 24 1HA GLY 24 -12.272 -4.870 -0.633 155 HA3 GLY 24 2HA GLY 24 -12.940 -5.081 0.979 156 H LYS 25 H LYS 25 -9.783 -3.814 -0.035 157 HA LYS 25 HA LYS 25 -10.121 -1.541 1.719 158 HB2 LYS 25 1HB LYS 25 -7.846 -2.178 -0.167 159 HB3 LYS 25 2HB LYS 25 -7.825 -0.992 1.131 160 HG2 LYS 25 1HG LYS 25 -8.338 -3.889 1.688 161 HG3 LYS 25 2HG LYS 25 -6.698 -3.257 1.529 162 HD2 LYS 25 1HD LYS 25 -6.839 -2.028 3.456 163 HD3 LYS 25 2HD LYS 25 -8.588 -1.829 3.329 164 HE2 LYS 25 1HE LYS 25 -8.743 -4.325 3.808 165 HE3 LYS 25 2HE LYS 25 -7.043 -4.233 4.266 166 HZ1 LYS 25 1HZ LYS 25 -8.659 -4.007 6.134 167 HZ2 LYS 25 2HZ LYS 25 -9.146 -2.527 5.475 168 HZ3 LYS 25 3HZ LYS 25 -7.553 -2.733 6.007 169 H SER 26 H SER 26 -9.782 0.671 0.998 170 HA SER 26 HA SER 26 -10.990 1.117 -1.644 171 HB2 SER 26 1HB SER 26 -11.104 2.574 0.955 172 HB3 SER 26 2HB SER 26 -11.223 3.526 -0.525 173 HG SER 26 HG SER 26 -12.796 1.222 -0.259 174 H THR 27 H THR 27 -8.081 0.666 -0.899 175 HA THR 27 HA THR 27 -7.020 3.113 -2.156 176 HB THR 27 HB THR 27 -4.892 2.717 -0.985 177 HG1 THR 27 1HG THR 27 -6.299 0.465 -0.069 178 HG21 THR 27 1HG2 THR 27 -7.121 2.752 1.039 179 HG22 THR 27 2HG2 THR 27 -6.765 4.125 -0.008 180 HG23 THR 27 3HG2 THR 27 -5.550 3.547 1.132 181 H SER 28 H SER 28 -5.212 2.838 -3.575 182 HA SER 28 HA SER 28 -4.194 0.311 -4.326 183 HB2 SER 28 1HB SER 28 -5.241 0.263 -6.635 184 HB3 SER 28 2HB SER 28 -6.323 -0.154 -5.306 185 HG SER 28 HG SER 28 -7.088 2.019 -5.384 186 H ILE 29 H ILE 29 -2.514 0.474 -5.809 187 HA ILE 29 HA ILE 29 -1.760 3.233 -6.501 188 HB ILE 29 HB ILE 29 0.566 2.289 -6.717 189 HG12 ILE 29 1HG1 ILE 29 -0.524 -0.046 -5.150 190 HG13 ILE 29 2HG1 ILE 29 -0.320 -0.105 -6.897 191 HG21 ILE 29 1HG2 ILE 29 0.651 3.343 -4.758 192 HG22 ILE 29 2HG2 ILE 29 -0.976 2.822 -4.325 193 HG23 ILE 29 3HG2 ILE 29 0.402 1.770 -4.002 194 HD11 ILE 29 1HD1 ILE 29 1.557 -1.127 -5.740 195 HD12 ILE 29 2HD1 ILE 29 2.065 0.305 -6.637 196 HD13 ILE 29 3HD1 ILE 29 1.864 0.386 -4.886 197 H GLN 30 H GLN 30 -0.260 3.326 -8.474 198 HA GLN 30 HA GLN 30 -1.386 1.617 -10.594 199 HB2 GLN 30 1HB GLN 30 -0.745 4.543 -10.532 200 HB3 GLN 30 2HB GLN 30 -0.689 3.673 -12.059 201 HG2 GLN 30 1HG GLN 30 -3.102 3.507 -10.303 202 HG3 GLN 30 2HG GLN 30 -2.857 4.885 -11.375 203 HE21 GLN 30 1HE2 GLN 30 -3.513 4.708 -13.405 204 HE22 GLN 30 2HE2 GLN 30 -3.964 3.238 -14.193 205 H SER 31 H SER 31 1.486 3.332 -9.459 206 HA SER 31 HA SER 31 3.198 1.291 -10.536 207 HB2 SER 31 1HB SER 31 4.383 2.545 -12.140 208 HB3 SER 31 2HB SER 31 2.692 2.926 -12.465 209 HG SER 31 HG SER 31 3.170 4.765 -10.911 210 H PHE 32 H PHE 32 5.591 2.010 -10.205 211 HA PHE 32 HA PHE 32 5.831 2.748 -7.446 212 HB2 PHE 32 1HB PHE 32 8.066 2.363 -9.442 213 HB3 PHE 32 2HB PHE 32 8.169 2.250 -7.688 214 HD1 PHE 32 1HD PHE 32 5.741 0.626 -7.137 215 HD2 PHE 32 2HD PHE 32 8.738 0.243 -10.134 216 HE1 PHE 32 1HE PHE 32 5.298 -1.791 -7.267 217 HE2 PHE 32 2HE PHE 32 8.300 -2.174 -10.270 218 HZ PHE 32 HZ PHE 32 6.577 -3.194 -8.835 219 H LYS 33 H LYS 33 5.304 4.603 -10.042 220 HA LYS 33 HA LYS 33 7.015 6.800 -9.080 221 HB2 LYS 33 1HB LYS 33 5.973 6.114 -11.809 222 HB3 LYS 33 2HB LYS 33 6.399 7.775 -11.417 223 HG2 LYS 33 1HG LYS 33 8.656 6.816 -10.673 224 HG3 LYS 33 2HG LYS 33 8.172 5.365 -11.554 225 HD2 LYS 33 1HD LYS 33 9.333 6.532 -13.173 226 HD3 LYS 33 2HD LYS 33 7.674 7.044 -13.487 227 HE2 LYS 33 1HE LYS 33 8.962 9.014 -13.534 228 HE3 LYS 33 2HE LYS 33 8.151 9.020 -11.969 229 HZ1 LYS 33 1HZ LYS 33 10.981 8.340 -12.532 230 HZ2 LYS 33 2HZ LYS 33 10.236 8.035 -11.044 231 HZ3 LYS 33 3HZ LYS 33 10.392 9.624 -11.601 232 H ASP 34 H ASP 34 3.965 5.655 -8.868 233 HA ASP 34 HA ASP 34 2.309 7.842 -9.424 234 HB2 ASP 34 1HB ASP 34 1.786 5.349 -8.697 235 HB3 ASP 34 2HB ASP 34 1.693 6.077 -7.096 236 H LYS 35 H LYS 35 1.104 9.110 -7.730 237 HA LYS 35 HA LYS 35 3.043 10.185 -5.800 238 HB2 LYS 35 1HB LYS 35 0.567 11.454 -6.986 239 HB3 LYS 35 2HB LYS 35 1.640 12.224 -5.825 240 HG2 LYS 35 1HG LYS 35 2.549 11.250 -8.520 241 HG3 LYS 35 2HG LYS 35 1.975 12.892 -8.216 242 HD2 LYS 35 1HD LYS 35 4.272 11.587 -6.759 243 HD3 LYS 35 2HD LYS 35 4.452 12.664 -8.146 244 HE2 LYS 35 1HE LYS 35 2.946 14.243 -6.647 245 HE3 LYS 35 2HE LYS 35 3.642 13.272 -5.350 246 HZ1 LYS 35 1HZ LYS 35 5.596 14.149 -7.253 247 HZ2 LYS 35 2HZ LYS 35 5.597 14.284 -5.567 248 HZ3 LYS 35 3HZ LYS 35 4.799 15.441 -6.507 249 H THR 36 H THR 36 0.712 7.991 -5.779 250 HA THR 36 HA THR 36 -0.734 8.909 -3.424 251 HB THR 36 HB THR 36 -1.793 6.553 -3.649 252 HG1 THR 36 1HG THR 36 -1.003 6.740 -6.340 253 HG21 THR 36 1HG2 THR 36 -3.096 7.438 -5.751 254 HG22 THR 36 2HG2 THR 36 -2.157 8.902 -5.456 255 HG23 THR 36 3HG2 THR 36 -3.225 8.271 -4.202 256 H ILE 37 H ILE 37 1.865 6.772 -4.287 257 HA ILE 37 HA ILE 37 1.898 5.091 -2.050 258 HB ILE 37 HB ILE 37 4.281 6.091 -3.614 259 HG12 ILE 37 1HG1 ILE 37 2.676 3.564 -4.032 260 HG13 ILE 37 2HG1 ILE 37 2.451 5.031 -4.978 261 HG21 ILE 37 1HG2 ILE 37 5.565 4.523 -2.597 262 HG22 ILE 37 2HG2 ILE 37 4.410 4.786 -1.292 263 HG23 ILE 37 3HG2 ILE 37 4.219 3.406 -2.372 264 HD11 ILE 37 1HD1 ILE 37 5.208 4.386 -5.010 265 HD12 ILE 37 2HD1 ILE 37 4.292 2.926 -5.388 266 HD13 ILE 37 3HD1 ILE 37 4.057 4.388 -6.346 267 H SER 38 H SER 38 3.182 8.331 -2.536 268 HA SER 38 HA SER 38 4.828 8.586 -0.332 269 HB2 SER 38 1HB SER 38 4.612 10.935 -0.573 270 HB3 SER 38 2HB SER 38 4.385 10.282 -2.195 271 HG SER 38 HG SER 38 2.296 10.988 -0.406 272 H SER 39 H SER 39 1.344 8.565 -0.500 273 HA SER 39 HA SER 39 0.910 9.585 2.135 274 HB2 SER 39 1HB SER 39 -1.383 9.177 1.759 275 HB3 SER 39 2HB SER 39 -0.743 9.572 0.164 276 HG SER 39 HG SER 39 -0.462 7.132 0.064 277 H SER 40 H SER 40 1.705 6.512 0.820 278 HA SER 40 HA SER 40 2.053 4.464 1.746 279 HB2 SER 40 1HB SER 40 1.947 5.809 4.446 280 HB3 SER 40 2HB SER 40 2.844 4.363 3.986 281 HG SER 40 HG SER 40 3.538 6.988 3.754 282 H LEU 41 H LEU 41 -0.689 5.540 1.398 283 HA LEU 41 HA LEU 41 -2.215 4.319 3.541 284 HB2 LEU 41 1HB LEU 41 -3.113 5.603 0.965 285 HB3 LEU 41 2HB LEU 41 -4.175 5.072 2.268 286 HG LEU 41 HG LEU 41 -2.072 7.199 2.625 287 HD11 LEU 41 1HD1 LEU 41 -4.268 8.647 2.608 288 HD12 LEU 41 2HD1 LEU 41 -4.837 7.362 1.542 289 HD13 LEU 41 3HD1 LEU 41 -3.398 8.288 1.116 290 HD21 LEU 41 1HD2 LEU 41 -3.012 5.950 4.613 291 HD22 LEU 41 2HD2 LEU 41 -4.568 6.682 4.222 292 HD23 LEU 41 3HD2 LEU 41 -3.193 7.704 4.642 293 H ALA 42 H ALA 42 -1.279 3.634 0.239 294 HA ALA 42 HA ALA 42 -3.051 1.395 -0.064 295 HB1 ALA 42 1HB ALA 42 -1.570 0.948 -2.093 296 HB2 ALA 42 2HB ALA 42 -2.481 2.459 -2.073 297 HB3 ALA 42 3HB ALA 42 -0.760 2.462 -1.685 298 H VAL 43 H VAL 43 0.261 1.888 0.964 299 HA VAL 43 HA VAL 43 1.129 -0.793 0.814 300 HB VAL 43 HB VAL 43 2.081 1.380 2.686 301 HG11 VAL 43 1HG1 VAL 43 3.609 -0.038 3.469 302 HG12 VAL 43 2HG1 VAL 43 2.692 -1.330 2.694 303 HG13 VAL 43 3HG1 VAL 43 4.041 -0.575 1.846 304 HG21 VAL 43 1HG2 VAL 43 2.383 2.232 0.529 305 HG22 VAL 43 2HG2 VAL 43 3.941 1.507 0.926 306 HG23 VAL 43 3HG2 VAL 43 2.817 0.656 -0.133 307 H VAL 44 H VAL 44 -0.035 1.111 3.596 308 HA VAL 44 HA VAL 44 0.011 -0.975 5.465 309 HB VAL 44 HB VAL 44 -1.851 1.403 5.426 310 HG11 VAL 44 1HG1 VAL 44 -0.875 0.070 7.907 311 HG12 VAL 44 2HG1 VAL 44 -2.356 0.989 7.629 312 HG13 VAL 44 3HG1 VAL 44 -2.207 -0.657 7.010 313 HG21 VAL 44 1HG2 VAL 44 0.915 1.083 6.584 314 HG22 VAL 44 2HG2 VAL 44 0.438 2.148 5.262 315 HG23 VAL 44 3HG2 VAL 44 -0.153 2.451 6.895 316 H ASP 45 H ASP 45 -2.637 0.218 3.418 317 HA ASP 45 HA ASP 45 -4.659 -1.453 4.338 318 HB2 ASP 45 1HB ASP 45 -4.155 -0.195 1.648 319 HB3 ASP 45 2HB ASP 45 -5.586 -1.173 1.959 320 H LEU 46 H LEU 46 -1.971 -2.126 2.239 321 HA LEU 46 HA LEU 46 -2.978 -4.542 1.126 322 HB2 LEU 46 1HB LEU 46 -1.175 -3.271 0.084 323 HB3 LEU 46 2HB LEU 46 -0.138 -3.590 1.474 324 HG LEU 46 HG LEU 46 -0.338 -6.046 0.893 325 HD11 LEU 46 1HD1 LEU 46 -1.026 -5.260 -1.877 326 HD12 LEU 46 2HD1 LEU 46 -2.345 -5.358 -0.711 327 HD13 LEU 46 3HD1 LEU 46 -1.330 -6.768 -1.014 328 HD21 LEU 46 1HD2 LEU 46 1.434 -4.146 0.101 329 HD22 LEU 46 2HD2 LEU 46 0.937 -4.824 -1.450 330 HD23 LEU 46 3HD2 LEU 46 1.613 -5.874 -0.203 331 H ILE 47 H ILE 47 -0.447 -4.006 3.587 332 HA ILE 47 HA ILE 47 0.080 -6.530 4.392 333 HB ILE 47 HB ILE 47 -0.282 -4.099 6.139 334 HG12 ILE 47 1HG1 ILE 47 2.332 -5.399 5.486 335 HG13 ILE 47 2HG1 ILE 47 1.553 -4.401 4.263 336 HG21 ILE 47 1HG2 ILE 47 0.558 -6.881 6.827 337 HG22 ILE 47 2HG2 ILE 47 1.269 -5.514 7.683 338 HG23 ILE 47 3HG2 ILE 47 -0.476 -5.766 7.720 339 HD11 ILE 47 1HD1 ILE 47 2.656 -2.720 5.220 340 HD12 ILE 47 2HD1 ILE 47 1.418 -2.809 6.474 341 HD13 ILE 47 3HD1 ILE 47 2.960 -3.636 6.695 342 H ASP 48 H ASP 48 -2.584 -4.559 5.707 343 HA ASP 48 HA ASP 48 -3.713 -6.258 7.489 344 HB2 ASP 48 1HB ASP 48 -4.682 -4.097 7.151 345 HB3 ASP 48 2HB ASP 48 -5.086 -4.472 5.478 346 H ALA 49 H ALA 49 -4.391 -6.273 3.992 347 HA ALA 49 HA ALA 49 -6.199 -8.324 3.840 348 HB1 ALA 49 1HB ALA 49 -4.734 -6.864 2.024 349 HB2 ALA 49 2HB ALA 49 -4.202 -8.521 1.733 350 HB3 ALA 49 3HB ALA 49 -5.916 -8.115 1.637 351 H ILE 50 H ILE 50 -2.669 -8.731 3.481 352 HA ILE 50 HA ILE 50 -2.645 -11.513 3.441 353 HB ILE 50 HB ILE 50 -0.503 -9.693 4.546 354 HG12 ILE 50 1HG1 ILE 50 -0.414 -10.879 1.808 355 HG13 ILE 50 2HG1 ILE 50 -1.455 -9.485 2.077 356 HG21 ILE 50 1HG2 ILE 50 -0.230 -12.050 5.185 357 HG22 ILE 50 2HG2 ILE 50 -0.296 -12.506 3.483 358 HG23 ILE 50 3HG2 ILE 50 1.033 -11.512 4.079 359 HD11 ILE 50 1HD1 ILE 50 1.451 -9.655 1.895 360 HD12 ILE 50 2HD1 ILE 50 0.367 -8.295 1.598 361 HD13 ILE 50 3HD1 ILE 50 0.869 -8.680 3.244 362 H GLN 51 H GLN 51 -1.722 -9.482 6.230 363 HA GLN 51 HA GLN 51 -2.778 -11.599 7.987 364 HB2 GLN 51 1HB GLN 51 -0.366 -11.599 8.126 365 HB3 GLN 51 2HB GLN 51 -0.340 -9.859 8.380 366 HG2 GLN 51 1HG GLN 51 -0.974 -10.022 10.560 367 HG3 GLN 51 2HG GLN 51 -1.863 -11.523 10.306 368 HE21 GLN 51 1HE2 GLN 51 -0.016 -10.981 12.403 369 HE22 GLN 51 2HE2 GLN 51 1.293 -12.097 12.242 370 HA PRO 52 HA PRO 52 -5.130 -7.731 8.861 371 HB2 PRO 52 1HB PRO 52 -7.492 -9.006 9.267 372 HB3 PRO 52 2HB PRO 52 -6.923 -8.525 7.664 373 HG2 PRO 52 1HG PRO 52 -6.794 -11.203 8.996 374 HG3 PRO 52 2HG PRO 52 -7.221 -10.806 7.321 375 HD2 PRO 52 1HD PRO 52 -4.773 -11.727 8.021 376 HD3 PRO 52 2HD PRO 52 -5.018 -10.593 6.677 377 H GLY 53 H GLY 53 -6.430 -7.185 10.810 378 HA2 GLY 53 1HA GLY 53 -7.034 -7.487 13.060 379 HA3 GLY 53 2HA GLY 53 -6.118 -8.987 13.082 380 H CYS 54 H CYS 54 -3.818 -7.481 11.795 381 HA CYS 54 HA CYS 54 -2.662 -6.574 14.307 382 HB2 CYS 54 1HB CYS 54 -0.532 -6.699 13.192 383 HB3 CYS 54 2HB CYS 54 -1.439 -8.157 12.807 384 HG CYS 54 HG CYS 54 -1.053 -7.947 10.287 385 H ILE 55 H ILE 55 -3.304 -5.342 11.051 386 HA ILE 55 HA ILE 55 -2.155 -2.798 11.406 387 HB ILE 55 HB ILE 55 -4.438 -3.587 9.592 388 HG12 ILE 55 1HG1 ILE 55 -2.313 -4.881 9.297 389 HG13 ILE 55 2HG1 ILE 55 -2.771 -3.932 7.888 390 HG21 ILE 55 1HG2 ILE 55 -3.934 -1.086 10.148 391 HG22 ILE 55 2HG2 ILE 55 -2.569 -1.324 9.058 392 HG23 ILE 55 3HG2 ILE 55 -4.214 -1.584 8.479 393 HD11 ILE 55 1HD1 ILE 55 -0.924 -2.685 7.987 394 HD12 ILE 55 2HD1 ILE 55 -1.002 -2.533 9.743 395 HD13 ILE 55 3HD1 ILE 55 -0.302 -3.978 9.013 396 H ASN 56 H ASN 56 -2.767 -1.155 12.636 397 HA ASN 56 HA ASN 56 -5.570 -1.041 13.535 398 HB2 ASN 56 1HB ASN 56 -3.609 -1.366 15.220 399 HB3 ASN 56 2HB ASN 56 -3.321 0.351 14.957 400 HD21 ASN 56 1HD2 ASN 56 -3.794 0.564 17.223 401 HD22 ASN 56 2HD2 ASN 56 -5.437 0.651 17.750 402 H TYR 57 H TYR 57 -6.432 0.242 11.944 403 HA TYR 57 HA TYR 57 -5.271 2.464 10.751 404 HB2 TYR 57 1HB TYR 57 -8.162 1.774 11.268 405 HB3 TYR 57 2HB TYR 57 -7.679 3.189 10.340 406 HD1 TYR 57 2HD TYR 57 -5.452 2.196 8.741 407 HD2 TYR 57 1HD TYR 57 -9.115 0.288 9.763 408 HE1 TYR 57 2HE TYR 57 -5.291 0.814 6.712 409 HE2 TYR 57 1HE TYR 57 -8.964 -1.100 7.738 410 HH TYR 57 HH TYR 57 -6.432 -0.587 5.344 411 H ASP 58 H ASP 58 -7.194 2.239 13.708 412 HA ASP 58 HA ASP 58 -7.775 4.767 14.380 413 HB2 ASP 58 1HB ASP 58 -8.063 2.753 15.844 414 HB3 ASP 58 2HB ASP 58 -6.367 2.898 16.295 415 H LEU 59 H LEU 59 -4.552 3.429 14.190 416 HA LEU 59 HA LEU 59 -3.382 5.908 15.209 417 HB2 LEU 59 1HB LEU 59 -1.916 3.444 14.306 418 HB3 LEU 59 2HB LEU 59 -1.318 4.747 15.330 419 HG LEU 59 HG LEU 59 -3.548 2.929 16.201 420 HD11 LEU 59 1HD1 LEU 59 -1.689 1.486 15.692 421 HD12 LEU 59 2HD1 LEU 59 -1.828 1.658 17.442 422 HD13 LEU 59 3HD1 LEU 59 -0.581 2.544 16.565 423 HD21 LEU 59 1HD2 LEU 59 -2.485 5.261 17.257 424 HD22 LEU 59 2HD2 LEU 59 -1.728 3.974 18.197 425 HD23 LEU 59 3HD2 LEU 59 -3.487 4.082 18.104 426 H VAL 60 H VAL 60 -3.618 3.978 12.279 427 HA VAL 60 HA VAL 60 -1.756 5.403 10.719 428 HB VAL 60 HB VAL 60 -4.226 3.964 9.744 429 HG11 VAL 60 1HG1 VAL 60 -3.565 4.564 7.713 430 HG12 VAL 60 2HG1 VAL 60 -2.185 5.428 8.393 431 HG13 VAL 60 3HG1 VAL 60 -2.039 3.721 7.973 432 HG21 VAL 60 1HG2 VAL 60 -1.650 2.588 9.581 433 HG22 VAL 60 2HG2 VAL 60 -2.218 2.856 11.229 434 HG23 VAL 60 3HG2 VAL 60 -3.230 1.983 10.078 435 H LYS 61 H LYS 61 -1.944 7.151 9.382 436 HA LYS 61 HA LYS 61 -4.282 8.849 9.827 437 HB2 LYS 61 1HB LYS 61 -1.474 9.348 8.900 438 HB3 LYS 61 2HB LYS 61 -2.735 10.523 8.548 439 HG2 LYS 61 1HG LYS 61 -2.191 9.535 11.330 440 HG3 LYS 61 2HG LYS 61 -1.348 10.918 10.628 441 HD2 LYS 61 1HD LYS 61 -3.256 12.217 10.568 442 HD3 LYS 61 2HD LYS 61 -4.334 10.819 10.555 443 HE2 LYS 61 1HE LYS 61 -4.051 10.443 12.852 444 HE3 LYS 61 2HE LYS 61 -2.613 11.459 12.930 445 HZ1 LYS 61 1HZ LYS 61 -5.228 12.199 13.460 446 HZ2 LYS 61 2HZ LYS 61 -4.815 12.971 12.012 447 HZ3 LYS 61 3HZ LYS 61 -3.869 13.205 13.395 448 H SER 62 H SER 62 -5.025 10.178 7.934 449 HA SER 62 HA SER 62 -4.625 9.128 5.296 450 HB2 SER 62 1HB SER 62 -6.963 8.411 4.931 451 HB3 SER 62 2HB SER 62 -6.158 7.422 6.149 452 HG SER 62 HG SER 62 -7.180 9.208 7.594 453 H GLY 63 H GLY 63 -5.160 10.600 3.759 454 HA2 GLY 63 1HA GLY 63 -6.610 12.371 2.950 455 HA3 GLY 63 2HA GLY 63 -6.770 12.921 4.611 456 H ASN 64 H ASN 64 -5.909 14.897 4.673 457 HA ASN 64 HA ASN 64 -3.701 15.682 3.037 458 HB2 ASN 64 1HB ASN 64 -4.981 17.084 5.395 459 HB3 ASN 64 2HB ASN 64 -3.832 17.814 4.277 460 HD21 ASN 64 1HD2 ASN 64 -5.486 19.384 3.878 461 HD22 ASN 64 2HD2 ASN 64 -6.763 19.030 2.769 462 H LEU 65 H LEU 65 -2.028 14.241 3.579 463 HA LEU 65 HA LEU 65 -1.011 14.282 6.311 464 HB2 LEU 65 1HB LEU 65 0.165 12.813 3.968 465 HB3 LEU 65 2HB LEU 65 0.392 12.484 5.685 466 HG LEU 65 HG LEU 65 -2.250 12.140 4.280 467 HD11 LEU 65 1HD1 LEU 65 -0.208 10.713 3.474 468 HD12 LEU 65 2HD1 LEU 65 -1.772 9.956 3.773 469 HD13 LEU 65 3HD1 LEU 65 -0.492 9.839 4.980 470 HD21 LEU 65 1HD2 LEU 65 -1.145 11.289 6.947 471 HD22 LEU 65 2HD2 LEU 65 -2.614 10.607 6.248 472 HD23 LEU 65 3HD2 LEU 65 -2.533 12.329 6.625 473 H THR 66 H THR 66 0.174 16.014 6.803 474 HA THR 66 HA THR 66 1.598 17.589 4.946 475 HB THR 66 HB THR 66 2.619 18.679 6.901 476 HG1 THR 66 1HG THR 66 2.252 17.866 8.958 477 HG21 THR 66 1HG2 THR 66 0.039 18.583 8.090 478 HG22 THR 66 2HG2 THR 66 -0.161 18.458 6.342 479 HG23 THR 66 3HG2 THR 66 0.714 19.823 7.034 480 H GLU 67 H GLU 67 3.980 18.022 5.113 481 HA GLU 67 HA GLU 67 5.540 16.041 4.213 482 HB2 GLU 67 1HB GLU 67 7.506 17.234 5.092 483 HB3 GLU 67 2HB GLU 67 6.333 18.335 4.384 484 HG2 GLU 67 1HG GLU 67 5.526 18.922 6.604 485 HG3 GLU 67 2HG GLU 67 6.678 17.800 7.326 486 H ASP 68 H ASP 68 4.760 16.602 7.595 487 HA ASP 68 HA ASP 68 6.527 14.559 8.572 488 HB2 ASP 68 1HB ASP 68 4.483 16.374 9.768 489 HB3 ASP 68 2HB ASP 68 4.941 14.931 10.669 490 H ASP 69 H ASP 69 2.971 14.855 8.496 491 HA ASP 69 HA ASP 69 2.221 12.397 9.367 492 HB2 ASP 69 1HB ASP 69 1.056 14.065 7.140 493 HB3 ASP 69 2HB ASP 69 0.285 12.588 7.713 494 H LYS 70 H LYS 70 2.797 13.143 5.924 495 HA LYS 70 HA LYS 70 2.495 10.742 4.750 496 HB2 LYS 70 1HB LYS 70 4.507 12.909 4.304 497 HB3 LYS 70 2HB LYS 70 4.645 11.417 3.383 498 HG2 LYS 70 1HG LYS 70 2.367 11.731 2.543 499 HG3 LYS 70 2HG LYS 70 2.247 13.239 3.453 500 HD2 LYS 70 1HD LYS 70 4.118 14.158 2.168 501 HD3 LYS 70 2HD LYS 70 4.237 12.649 1.260 502 HE2 LYS 70 1HE LYS 70 2.037 12.983 0.333 503 HE3 LYS 70 2HE LYS 70 1.790 14.409 1.339 504 HZ1 LYS 70 1HZ LYS 70 2.392 15.017 -0.916 505 HZ2 LYS 70 2HZ LYS 70 3.831 14.136 -0.801 506 HZ3 LYS 70 3HZ LYS 70 3.598 15.505 0.166 507 H HIS 71 H HIS 71 5.485 11.763 6.393 508 HA HIS 71 HA HIS 71 6.877 9.348 6.037 509 HB2 HIS 71 1HB HIS 71 7.159 11.721 7.813 510 HB3 HIS 71 2HB HIS 71 8.036 10.262 8.263 511 HD1 HIS 71 1HD HIS 71 9.894 9.445 6.607 512 HD2 HIS 71 2HD HIS 71 8.182 13.105 5.642 513 HE1 HIS 71 1HE HIS 71 11.428 10.477 4.902 514 HE2 HIS 71 2HE HIS 71 10.417 12.728 4.397 515 H ASN 72 H ASN 72 4.952 10.533 8.782 516 HA ASN 72 HA ASN 72 5.309 8.434 10.536 517 HB2 ASN 72 1HB ASN 72 3.025 10.316 10.046 518 HB3 ASN 72 2HB ASN 72 2.853 9.018 11.224 519 HD21 ASN 72 1HD2 ASN 72 4.977 11.694 10.316 520 HD22 ASN 72 2HD2 ASN 72 5.452 12.094 11.929 521 H ASN 73 H ASN 73 2.807 8.749 8.024 522 HA ASN 73 HA ASN 73 1.495 6.338 8.467 523 HB2 ASN 73 1HB ASN 73 1.923 7.821 5.864 524 HB3 ASN 73 2HB ASN 73 0.760 6.518 6.095 525 HD21 ASN 73 1HD2 ASN 73 -1.150 7.482 5.961 526 HD22 ASN 73 2HD2 ASN 73 -1.654 8.841 6.901 527 H ALA 74 H ALA 74 4.442 7.024 6.689 528 HA ALA 74 HA ALA 74 4.673 4.480 5.444 529 HB1 ALA 74 1HB ALA 74 7.156 5.225 5.303 530 HB2 ALA 74 2HB ALA 74 5.930 6.112 4.397 531 HB3 ALA 74 3HB ALA 74 6.545 6.762 5.917 532 H LYS 75 H LYS 75 6.671 5.867 8.057 533 HA LYS 75 HA LYS 75 8.112 3.784 8.889 534 HB2 LYS 75 1HB LYS 75 6.618 5.807 10.534 535 HB3 LYS 75 2HB LYS 75 7.631 4.591 11.301 536 HG2 LYS 75 1HG LYS 75 9.551 5.397 9.988 537 HG3 LYS 75 2HG LYS 75 8.522 6.653 9.295 538 HD2 LYS 75 1HD LYS 75 8.921 6.334 12.261 539 HD3 LYS 75 2HD LYS 75 9.978 7.334 11.261 540 HE2 LYS 75 1HE LYS 75 8.163 8.753 10.637 541 HE3 LYS 75 2HE LYS 75 6.986 7.666 11.372 542 HZ1 LYS 75 1HZ LYS 75 7.284 9.430 12.874 543 HZ2 LYS 75 2HZ LYS 75 8.969 9.387 12.739 544 HZ3 LYS 75 3HZ LYS 75 8.153 8.137 13.534 545 H TYR 76 H TYR 76 4.732 4.283 9.892 546 HA TYR 76 HA TYR 76 4.453 1.993 11.449 547 HB2 TYR 76 1HB TYR 76 2.827 3.960 11.148 548 HB3 TYR 76 2HB TYR 76 2.229 3.092 9.739 549 HD1 TYR 76 1HD TYR 76 3.025 2.375 13.326 550 HD2 TYR 76 2HD TYR 76 0.368 1.776 10.057 551 HE1 TYR 76 1HE TYR 76 1.547 1.050 14.778 552 HE2 TYR 76 2HE TYR 76 -1.118 0.451 11.501 553 HH TYR 76 HH TYR 76 -1.619 0.156 13.852 554 H ALA 77 H ALA 77 3.746 2.447 7.992 555 HA ALA 77 HA ALA 77 2.798 -0.082 7.395 556 HB1 ALA 77 1HB ALA 77 2.719 0.749 5.337 557 HB2 ALA 77 2HB ALA 77 3.523 2.194 5.951 558 HB3 ALA 77 3HB ALA 77 4.477 0.880 5.262 559 H VAL 78 H VAL 78 6.137 1.044 7.638 560 HA VAL 78 HA VAL 78 7.390 -1.272 6.650 561 HB VAL 78 HB VAL 78 8.418 0.751 8.644 562 HG11 VAL 78 1HG1 VAL 78 10.650 -0.061 8.038 563 HG12 VAL 78 2HG1 VAL 78 9.677 -1.328 8.788 564 HG13 VAL 78 3HG1 VAL 78 9.918 -1.317 7.041 565 HG21 VAL 78 1HG2 VAL 78 9.399 1.881 6.815 566 HG22 VAL 78 2HG2 VAL 78 9.046 0.554 5.708 567 HG23 VAL 78 3HG2 VAL 78 7.734 1.548 6.338 568 H SER 79 H SER 79 7.040 -0.228 10.047 569 HA SER 79 HA SER 79 8.010 -2.419 11.337 570 HB2 SER 79 1HB SER 79 6.986 -0.246 12.302 571 HB3 SER 79 2HB SER 79 5.464 -1.136 12.301 572 HG SER 79 HG SER 79 7.730 -1.479 13.872 573 H MET 80 H MET 80 4.631 -1.998 10.288 574 HA MET 80 HA MET 80 3.673 -4.477 11.122 575 HB2 MET 80 1HB MET 80 2.802 -2.809 8.756 576 HB3 MET 80 2HB MET 80 1.884 -4.145 9.438 577 HG2 MET 80 1HG MET 80 2.519 -1.502 10.711 578 HG3 MET 80 2HG MET 80 0.939 -2.149 10.275 579 HE1 MET 80 1HE MET 80 0.461 -4.559 10.930 580 HE2 MET 80 2HE MET 80 1.527 -5.457 12.010 581 HE3 MET 80 3HE MET 80 0.049 -4.725 12.637 582 H ALA 81 H ALA 81 4.861 -3.534 7.896 583 HA ALA 81 HA ALA 81 4.618 -6.002 6.648 584 HB1 ALA 81 1HB ALA 81 5.701 -3.497 6.010 585 HB2 ALA 81 2HB ALA 81 6.988 -4.671 5.729 586 HB3 ALA 81 3HB ALA 81 5.429 -4.862 4.926 587 H ARG 82 H ARG 82 7.673 -4.641 7.902 588 HA ARG 82 HA ARG 82 9.171 -6.973 7.719 589 HB2 ARG 82 1HB ARG 82 10.781 -5.913 9.105 590 HB3 ARG 82 2HB ARG 82 10.011 -4.632 8.178 591 HG2 ARG 82 1HG ARG 82 8.562 -4.159 10.137 592 HG3 ARG 82 2HG ARG 82 9.488 -5.351 11.052 593 HD2 ARG 82 1HD ARG 82 10.954 -3.175 9.644 594 HD3 ARG 82 2HD ARG 82 10.089 -2.784 11.130 595 HE ARG 82 HE ARG 82 11.704 -5.085 11.485 596 HH11 ARG 82 2HH1 ARG 82 11.872 -1.618 11.209 597 HH12 ARG 82 1HH1 ARG 82 13.323 -1.483 12.145 598 HH21 ARG 82 2HH2 ARG 82 13.616 -4.920 12.719 599 HH22 ARG 82 1HH2 ARG 82 14.315 -3.362 13.003 600 H ARG 83 H ARG 83 6.847 -5.986 10.108 601 HA ARG 83 HA ARG 83 7.619 -7.736 12.188 602 HB2 ARG 83 1HB ARG 83 5.184 -6.160 11.518 603 HB3 ARG 83 2HB ARG 83 5.015 -7.459 12.692 604 HG2 ARG 83 1HG ARG 83 6.478 -6.448 14.201 605 HG3 ARG 83 2HG ARG 83 7.154 -5.382 12.968 606 HD2 ARG 83 1HD ARG 83 5.052 -4.167 12.841 607 HD3 ARG 83 2HD ARG 83 4.329 -5.262 14.018 608 HE ARG 83 HE ARG 83 6.685 -3.982 15.012 609 HH11 ARG 83 2HH1 ARG 83 3.267 -3.586 14.480 610 HH12 ARG 83 1HH1 ARG 83 3.075 -2.411 15.739 611 HH21 ARG 83 2HH2 ARG 83 6.445 -2.436 16.672 612 HH22 ARG 83 1HH2 ARG 83 4.883 -1.757 16.984 613 H ILE 84 H ILE 84 4.712 -8.019 10.143 614 HA ILE 84 HA ILE 84 3.962 -10.560 10.701 615 HB ILE 84 HB ILE 84 3.152 -10.745 8.324 616 HG12 ILE 84 1HG1 ILE 84 4.232 -7.937 8.053 617 HG13 ILE 84 2HG1 ILE 84 5.060 -9.351 7.408 618 HG21 ILE 84 1HG2 ILE 84 2.537 -8.421 10.101 619 HG22 ILE 84 2HG2 ILE 84 1.708 -8.600 8.555 620 HG23 ILE 84 3HG2 ILE 84 1.581 -9.866 9.775 621 HD11 ILE 84 1HD1 ILE 84 3.828 -8.325 5.648 622 HD12 ILE 84 2HD1 ILE 84 3.025 -9.839 6.065 623 HD13 ILE 84 3HD1 ILE 84 2.356 -8.304 6.618 624 H GLY 85 H GLY 85 6.742 -9.586 8.837 625 HA2 GLY 85 1HA GLY 85 8.534 -11.373 8.986 626 HA3 GLY 85 2HA GLY 85 7.325 -12.424 8.263 627 H ALA 86 H ALA 86 8.444 -9.109 7.575 628 HA ALA 86 HA ALA 86 8.900 -9.965 4.790 629 HB1 ALA 86 1HB ALA 86 8.158 -7.883 3.998 630 HB2 ALA 86 2HB ALA 86 6.986 -8.347 5.232 631 HB3 ALA 86 3HB ALA 86 8.230 -7.152 5.601 632 H ARG 87 H ARG 87 11.076 -10.417 4.974 633 HA ARG 87 HA ARG 87 13.048 -9.160 6.349 634 HB2 ARG 87 1HB ARG 87 13.376 -11.153 4.922 635 HB3 ARG 87 2HB ARG 87 13.286 -10.129 3.495 636 HG2 ARG 87 1HG ARG 87 15.353 -9.204 3.856 637 HG3 ARG 87 2HG ARG 87 15.304 -9.508 5.594 638 HD2 ARG 87 1HD ARG 87 15.744 -11.820 5.287 639 HD3 ARG 87 2HD ARG 87 15.477 -11.708 3.548 640 HE ARG 87 HE ARG 87 17.621 -10.924 3.293 641 HH11 ARG 87 2HH1 ARG 87 16.754 -10.886 6.665 642 HH12 ARG 87 1HH1 ARG 87 18.363 -10.542 7.209 643 HH21 ARG 87 2HH2 ARG 87 19.743 -10.471 3.997 644 HH22 ARG 87 1HH2 ARG 87 20.062 -10.305 5.691 645 H VAL 88 H VAL 88 11.512 -8.039 3.397 646 HA VAL 88 HA VAL 88 13.124 -6.115 2.421 647 HB VAL 88 HB VAL 88 10.856 -6.536 1.567 648 HG11 VAL 88 1HG1 VAL 88 9.912 -6.412 3.999 649 HG12 VAL 88 2HG1 VAL 88 9.719 -4.698 3.626 650 HG13 VAL 88 3HG1 VAL 88 8.913 -5.915 2.634 651 HG21 VAL 88 1HG2 VAL 88 10.451 -3.734 1.867 652 HG22 VAL 88 2HG2 VAL 88 12.183 -4.042 1.747 653 HG23 VAL 88 3HG2 VAL 88 11.096 -4.614 0.482 654 H TYR 89 H TYR 89 14.423 -4.816 3.556 655 HA TYR 89 HA TYR 89 13.347 -3.418 5.901 656 HB2 TYR 89 1HB TYR 89 15.849 -2.822 6.196 657 HB3 TYR 89 2HB TYR 89 15.335 -4.471 6.532 658 HD1 TYR 89 1HD TYR 89 16.778 -2.361 3.819 659 HD2 TYR 89 2HD TYR 89 16.425 -6.252 5.504 660 HE1 TYR 89 1HE TYR 89 18.446 -3.199 2.217 661 HE2 TYR 89 2HE TYR 89 18.093 -7.100 3.908 662 HH TYR 89 HH TYR 89 18.855 -6.028 1.300 663 H ALA 90 H ALA 90 13.027 -2.773 2.928 664 HA ALA 90 HA ALA 90 14.382 -0.604 2.035 665 HB1 ALA 90 1HB ALA 90 11.722 0.073 1.528 666 HB2 ALA 90 2HB ALA 90 12.807 -0.850 0.488 667 HB3 ALA 90 3HB ALA 90 11.747 -1.689 1.620 668 H LEU 91 H LEU 91 14.898 1.305 2.860 669 HA LEU 91 HA LEU 91 14.213 2.303 5.300 670 HB2 LEU 91 1HB LEU 91 14.748 3.991 2.862 671 HB3 LEU 91 2HB LEU 91 14.968 4.471 4.543 672 HG LEU 91 HG LEU 91 16.605 2.510 2.949 673 HD11 LEU 91 1HD1 LEU 91 16.846 5.287 3.642 674 HD12 LEU 91 2HD1 LEU 91 17.863 4.300 2.592 675 HD13 LEU 91 3HD1 LEU 91 18.184 4.363 4.325 676 HD21 LEU 91 1HD2 LEU 91 17.921 2.518 5.222 677 HD22 LEU 91 2HD2 LEU 91 16.590 1.393 4.950 678 HD23 LEU 91 3HD2 LEU 91 16.327 2.860 5.894 679 HA PRO 92 HA PRO 92 10.028 3.648 5.110 680 HB2 PRO 92 1HB PRO 92 10.074 5.517 7.078 681 HB3 PRO 92 2HB PRO 92 10.121 3.780 7.402 682 HG2 PRO 92 1HG PRO 92 12.369 5.755 7.328 683 HG3 PRO 92 2HG PRO 92 12.066 4.448 8.487 684 HD2 PRO 92 1HD PRO 92 13.854 4.217 6.466 685 HD3 PRO 92 2HD PRO 92 12.928 2.834 7.085 686 H GLU 93 H GLU 93 12.663 5.621 4.306 687 HA GLU 93 HA GLU 93 11.103 8.002 3.764 688 HB2 GLU 93 1HB GLU 93 13.985 7.351 3.121 689 HB3 GLU 93 2HB GLU 93 13.226 8.924 2.915 690 HG2 GLU 93 1HG GLU 93 12.698 8.717 5.444 691 HG3 GLU 93 2HG GLU 93 13.975 7.501 5.429 692 H ASP 94 H ASP 94 12.206 5.186 2.089 693 HA ASP 94 HA ASP 94 12.232 6.047 -0.550 694 HB2 ASP 94 1HB ASP 94 12.264 3.822 -1.136 695 HB3 ASP 94 2HB ASP 94 12.721 3.697 0.560 696 H LEU 95 H LEU 95 9.500 4.920 1.410 697 HA LEU 95 HA LEU 95 7.548 5.007 -0.599 698 HB2 LEU 95 1HB LEU 95 7.189 5.504 2.352 699 HB3 LEU 95 2HB LEU 95 5.923 5.059 1.209 700 HG LEU 95 HG LEU 95 8.270 3.293 1.889 701 HD11 LEU 95 1HD1 LEU 95 6.352 3.956 3.667 702 HD12 LEU 95 2HD1 LEU 95 7.157 2.388 3.621 703 HD13 LEU 95 3HD1 LEU 95 5.582 2.593 2.855 704 HD21 LEU 95 1HD2 LEU 95 6.757 1.550 0.923 705 HD22 LEU 95 2HD2 LEU 95 7.346 2.740 -0.238 706 HD23 LEU 95 3HD2 LEU 95 5.699 2.853 0.383 707 H VAL 96 H VAL 96 8.275 7.424 1.923 708 HA VAL 96 HA VAL 96 6.507 9.396 1.179 709 HB VAL 96 HB VAL 96 9.319 9.784 2.216 710 HG11 VAL 96 1HG1 VAL 96 7.096 11.658 1.666 711 HG12 VAL 96 2HG1 VAL 96 7.977 11.886 3.179 712 HG13 VAL 96 3HG1 VAL 96 8.839 11.924 1.640 713 HG21 VAL 96 1HG2 VAL 96 7.693 8.344 3.549 714 HG22 VAL 96 2HG2 VAL 96 8.430 9.707 4.392 715 HG23 VAL 96 3HG2 VAL 96 6.770 9.825 3.808 716 H GLU 97 H GLU 97 9.776 8.824 -0.079 717 HA GLU 97 HA GLU 97 9.559 11.004 -1.963 718 HB2 GLU 97 1HB GLU 97 11.670 8.854 -1.711 719 HB3 GLU 97 2HB GLU 97 11.784 10.294 -2.713 720 HG2 GLU 97 1HG GLU 97 11.531 11.635 -0.587 721 HG3 GLU 97 2HG GLU 97 11.770 10.121 0.282 722 H VAL 98 H VAL 98 8.544 7.802 -1.860 723 HA VAL 98 HA VAL 98 7.724 6.337 -3.401 724 HB VAL 98 HB VAL 98 7.421 8.751 -5.187 725 HG11 VAL 98 1HG1 VAL 98 6.443 7.329 -6.582 726 HG12 VAL 98 2HG1 VAL 98 6.722 6.000 -5.455 727 HG13 VAL 98 3HG1 VAL 98 5.244 6.956 -5.344 728 HG21 VAL 98 1HG2 VAL 98 5.694 9.522 -3.971 729 HG22 VAL 98 2HG2 VAL 98 5.126 7.903 -3.561 730 HG23 VAL 98 3HG2 VAL 98 6.453 8.627 -2.654 731 H LYS 99 H LYS 99 10.491 6.472 -3.357 732 HA LYS 99 HA LYS 99 11.685 6.855 -5.882 733 HB2 LYS 99 1HB LYS 99 12.564 5.052 -3.619 734 HB3 LYS 99 2HB LYS 99 13.568 5.560 -4.971 735 HG2 LYS 99 1HG LYS 99 13.266 7.915 -4.228 736 HG3 LYS 99 2HG LYS 99 12.425 7.304 -2.801 737 HD2 LYS 99 1HD LYS 99 14.437 6.014 -2.198 738 HD3 LYS 99 2HD LYS 99 15.272 6.694 -3.597 739 HE2 LYS 99 1HE LYS 99 14.016 8.512 -1.585 740 HE3 LYS 99 2HE LYS 99 15.574 7.766 -1.235 741 HZ1 LYS 99 1HZ LYS 99 15.720 8.775 -3.817 742 HZ2 LYS 99 2HZ LYS 99 16.517 9.346 -2.439 743 HZ3 LYS 99 3HZ LYS 99 15.014 9.990 -2.873 744 HA PRO 100 HA PRO 100 9.918 3.275 -7.884 745 HB2 PRO 100 1HB PRO 100 11.111 3.705 -10.285 746 HB3 PRO 100 2HB PRO 100 9.693 4.609 -9.741 747 HG2 PRO 100 1HG PRO 100 12.579 5.400 -9.684 748 HG3 PRO 100 2HG PRO 100 11.164 6.365 -10.142 749 HD2 PRO 100 1HD PRO 100 12.345 6.573 -7.715 750 HD3 PRO 100 2HD PRO 100 10.602 6.810 -7.952 751 H LYS 101 H LYS 101 12.986 3.756 -6.786 752 HA LYS 101 HA LYS 101 14.076 1.352 -8.075 753 HB2 LYS 101 1HB LYS 101 15.448 3.501 -6.449 754 HB3 LYS 101 2HB LYS 101 16.251 2.096 -7.138 755 HG2 LYS 101 1HG LYS 101 16.720 3.698 -8.705 756 HG3 LYS 101 2HG LYS 101 15.256 2.979 -9.380 757 HD2 LYS 101 1HD LYS 101 13.930 4.779 -8.319 758 HD3 LYS 101 2HD LYS 101 15.431 5.516 -7.754 759 HE2 LYS 101 1HE LYS 101 16.114 5.456 -10.250 760 HE3 LYS 101 2HE LYS 101 14.389 5.247 -10.550 761 HZ1 LYS 101 1HZ LYS 101 14.923 7.559 -10.655 762 HZ2 LYS 101 2HZ LYS 101 15.685 7.519 -9.146 763 HZ3 LYS 101 3HZ LYS 101 14.011 7.299 -9.254 764 H MET 102 H MET 102 12.440 2.247 -5.340 765 HA MET 102 HA MET 102 13.445 -0.103 -3.892 766 HB2 MET 102 1HB MET 102 12.945 2.652 -2.780 767 HB3 MET 102 2HB MET 102 12.985 1.223 -1.757 768 HG2 MET 102 1HG MET 102 15.251 1.988 -3.571 769 HG3 MET 102 2HG MET 102 15.114 2.562 -1.911 770 HE1 MET 102 1HE MET 102 15.297 -0.405 0.265 771 HE2 MET 102 2HE MET 102 16.582 0.793 0.108 772 HE3 MET 102 3HE MET 102 14.893 1.292 0.001 773 H VAL 103 H VAL 103 10.814 2.107 -4.579 774 HA VAL 103 HA VAL 103 8.853 0.853 -2.967 775 HB VAL 103 HB VAL 103 8.445 2.482 -5.479 776 HG11 VAL 103 1HG1 VAL 103 6.612 1.367 -3.428 777 HG12 VAL 103 2HG1 VAL 103 6.264 2.978 -4.057 778 HG13 VAL 103 3HG1 VAL 103 6.367 1.604 -5.158 779 HG21 VAL 103 1HG2 VAL 103 8.046 3.648 -2.789 780 HG22 VAL 103 2HG2 VAL 103 9.712 3.383 -3.303 781 HG23 VAL 103 3HG2 VAL 103 8.641 4.394 -4.273 782 H MET 104 H MET 104 10.439 -0.233 -5.699 783 HA MET 104 HA MET 104 8.223 -1.721 -6.823 784 HB2 MET 104 1HB MET 104 9.762 -2.465 -8.488 785 HB3 MET 104 2HB MET 104 10.089 -0.760 -8.208 786 HG2 MET 104 1HG MET 104 12.062 -1.219 -7.027 787 HG3 MET 104 2HG MET 104 11.645 -2.920 -6.831 788 HE1 MET 104 1HE MET 104 11.861 -4.718 -9.424 789 HE2 MET 104 2HE MET 104 13.608 -4.571 -9.236 790 HE3 MET 104 3HE MET 104 12.562 -4.533 -7.816 791 H THR 105 H THR 105 11.036 -2.313 -4.799 792 HA THR 105 HA THR 105 10.537 -5.173 -4.725 793 HB THR 105 HB THR 105 12.864 -4.088 -4.682 794 HG1 THR 105 1HG THR 105 13.529 -5.932 -3.818 795 HG21 THR 105 1HG2 THR 105 12.258 -2.467 -2.862 796 HG22 THR 105 2HG2 THR 105 13.733 -3.389 -2.566 797 HG23 THR 105 3HG2 THR 105 12.237 -3.830 -1.743 798 H VAL 106 H VAL 106 9.768 -2.355 -2.895 799 HA VAL 106 HA VAL 106 9.360 -3.535 -0.362 800 HB VAL 106 HB VAL 106 8.172 -1.066 -1.621 801 HG11 VAL 106 1HG1 VAL 106 7.929 -1.985 1.242 802 HG12 VAL 106 2HG1 VAL 106 7.358 -0.448 0.589 803 HG13 VAL 106 3HG1 VAL 106 6.624 -1.961 0.056 804 HG21 VAL 106 1HG2 VAL 106 10.686 -1.632 -0.497 805 HG22 VAL 106 2HG2 VAL 106 10.047 -0.061 -0.981 806 HG23 VAL 106 3HG2 VAL 106 9.829 -0.629 0.674 807 H PHE 107 H PHE 107 7.418 -3.384 -3.251 808 HA PHE 107 HA PHE 107 5.044 -4.354 -1.877 809 HB2 PHE 107 1HB PHE 107 5.646 -3.405 -4.651 810 HB3 PHE 107 2HB PHE 107 4.222 -4.402 -4.375 811 HD1 PHE 107 1HD PHE 107 2.872 -3.582 -2.157 812 HD2 PHE 107 2HD PHE 107 5.269 -1.154 -4.701 813 HE1 PHE 107 1HE PHE 107 1.617 -1.592 -1.435 814 HE2 PHE 107 2HE PHE 107 4.019 0.840 -3.983 815 HZ PHE 107 HZ PHE 107 2.191 0.622 -2.347 816 H ALA 108 H ALA 108 7.774 -5.615 -3.455 817 HA ALA 108 HA ALA 108 6.584 -8.029 -4.440 818 HB1 ALA 108 1HB ALA 108 9.091 -6.739 -4.658 819 HB2 ALA 108 2HB ALA 108 9.380 -8.356 -4.015 820 HB3 ALA 108 3HB ALA 108 8.508 -8.154 -5.534 821 H CYS 109 H CYS 109 9.114 -7.642 -1.957 822 HA CYS 109 HA CYS 109 9.107 -10.040 -0.772 823 HB2 CYS 109 1HB CYS 109 10.223 -7.740 -0.082 824 HB3 CYS 109 2HB CYS 109 8.915 -7.716 1.094 825 HG CYS 109 HG CYS 109 10.946 -10.439 0.846 826 H LEU 110 H LEU 110 6.540 -7.680 -0.529 827 HA LEU 110 HA LEU 110 5.125 -8.886 1.606 828 HB2 LEU 110 1HB LEU 110 4.275 -7.037 -0.609 829 HB3 LEU 110 2HB LEU 110 3.176 -7.582 0.657 830 HG LEU 110 HG LEU 110 5.710 -6.021 1.153 831 HD11 LEU 110 1HD1 LEU 110 3.791 -4.879 -0.143 832 HD12 LEU 110 2HD1 LEU 110 4.473 -4.065 1.266 833 HD13 LEU 110 3HD1 LEU 110 2.938 -4.923 1.400 834 HD21 LEU 110 1HD2 LEU 110 3.606 -7.214 2.867 835 HD22 LEU 110 2HD2 LEU 110 4.218 -5.623 3.320 836 HD23 LEU 110 3HD2 LEU 110 5.328 -6.987 3.174 837 H MET 111 H MET 111 4.716 -9.073 -1.925 838 HA MET 111 HA MET 111 2.526 -10.768 -2.007 839 HB2 MET 111 1HB MET 111 3.332 -9.706 -4.011 840 HB3 MET 111 2HB MET 111 4.872 -10.547 -3.895 841 HG2 MET 111 1HG MET 111 3.505 -12.695 -4.109 842 HG3 MET 111 2HG MET 111 2.189 -11.648 -4.635 843 HE1 MET 111 1HE MET 111 2.679 -9.723 -6.210 844 HE2 MET 111 2HE MET 111 4.379 -9.425 -6.573 845 HE3 MET 111 3HE MET 111 3.312 -10.072 -7.820 846 H GLY 112 H GLY 112 5.972 -11.690 -2.170 847 HA2 GLY 112 1HA GLY 112 5.930 -14.357 -2.354 848 HA3 GLY 112 2HA GLY 112 6.998 -13.548 -1.217 849 H ARG 113 H ARG 113 6.007 -13.032 0.942 850 HA ARG 113 HA ARG 113 5.255 -15.287 2.289 851 HB2 ARG 113 1HB ARG 113 5.988 -13.260 3.426 852 HB3 ARG 113 2HB ARG 113 4.513 -12.432 2.948 853 HG2 ARG 113 1HG ARG 113 4.355 -13.095 5.251 854 HG3 ARG 113 2HG ARG 113 3.211 -14.036 4.292 855 HD2 ARG 113 1HD ARG 113 4.643 -15.948 4.332 856 HD3 ARG 113 2HD ARG 113 5.953 -15.017 5.058 857 HE ARG 113 HE ARG 113 5.000 -15.366 7.102 858 HH11 ARG 113 2HH1 ARG 113 2.606 -15.938 4.640 859 HH12 ARG 113 1HH1 ARG 113 1.412 -16.518 5.752 860 HH21 ARG 113 2HH2 ARG 113 3.436 -16.129 8.577 861 HH22 ARG 113 1HH2 ARG 113 1.884 -16.626 7.991 862 H GLY 114 H GLY 114 3.078 -12.794 0.979 863 HA2 GLY 114 1HA GLY 114 0.646 -13.722 1.848 864 HA3 GLY 114 2HA GLY 114 0.888 -12.951 0.287 865 H MET 115 H MET 115 1.640 -14.390 -1.493 866 HA MET 115 HA MET 115 -0.095 -16.376 -2.092 867 HB2 MET 115 1HB MET 115 2.818 -16.220 -2.881 868 HB3 MET 115 2HB MET 115 1.644 -17.285 -3.643 869 HG2 MET 115 1HG MET 115 0.331 -15.011 -3.954 870 HG3 MET 115 2HG MET 115 1.960 -14.346 -3.846 871 HE1 MET 115 1HE MET 115 3.828 -15.084 -4.989 872 HE2 MET 115 2HE MET 115 3.924 -16.141 -6.397 873 HE3 MET 115 3HE MET 115 3.551 -14.429 -6.603 874 H LYS 116 H LYS 116 -0.657 -17.944 -0.695 875 HA LYS 116 HA LYS 116 1.048 -19.245 1.108 876 HB2 LYS 116 1HB LYS 116 -1.467 -19.177 1.197 877 HB3 LYS 116 2HB LYS 116 -1.483 -20.385 -0.081 878 HG2 LYS 116 1HG LYS 116 -0.358 -21.972 1.342 879 HG3 LYS 116 2HG LYS 116 -0.188 -20.757 2.611 880 HD2 LYS 116 1HD LYS 116 -2.918 -21.335 1.586 881 HD3 LYS 116 2HD LYS 116 -2.153 -22.536 2.629 882 HE2 LYS 116 1HE LYS 116 -3.247 -21.213 4.166 883 HE3 LYS 116 2HE LYS 116 -1.642 -20.484 4.150 884 HZ1 LYS 116 1HZ LYS 116 -2.383 -18.656 3.006 885 HZ2 LYS 116 2HZ LYS 116 -3.736 -18.997 3.962 886 HZ3 LYS 116 3HZ LYS 116 -3.713 -19.458 2.334 887 H ARG 117 H ARG 117 2.906 -19.735 -0.217 888 HA ARG 117 HA ARG 117 2.542 -22.044 -2.000 889 HB2 ARG 117 1HB ARG 117 4.542 -19.830 -1.878 890 HB3 ARG 117 2HB ARG 117 5.047 -21.382 -2.532 891 HG2 ARG 117 1HG ARG 117 2.567 -20.057 -3.543 892 HG3 ARG 117 2HG ARG 117 4.156 -19.558 -4.128 893 HD2 ARG 117 1HD ARG 117 3.508 -21.177 -5.665 894 HD3 ARG 117 2HD ARG 117 4.545 -22.069 -4.552 895 HE ARG 117 HE ARG 117 1.734 -22.146 -3.904 896 HH11 ARG 117 2HH1 ARG 117 4.346 -23.651 -5.644 897 HH12 ARG 117 1HH1 ARG 117 3.576 -25.201 -5.720 898 HH21 ARG 117 2HH2 ARG 117 0.709 -24.182 -3.997 899 HH22 ARG 117 1HH2 ARG 117 1.507 -25.501 -4.783 900 H VAL 118 H VAL 118 4.271 -23.697 -1.949 901 HA VAL 118 HA VAL 118 4.532 -24.885 0.534 902 HB VAL 118 HB VAL 118 6.306 -25.220 -1.887 903 HG11 VAL 118 1HG1 VAL 118 7.569 -26.114 -0.139 904 HG12 VAL 118 2HG1 VAL 118 6.144 -26.741 0.693 905 HG13 VAL 118 3HG1 VAL 118 6.707 -27.506 -0.793 906 HG21 VAL 118 1HG2 VAL 118 4.113 -25.808 -2.497 907 HG22 VAL 118 2HG2 VAL 118 4.901 -27.336 -2.102 908 HG23 VAL 118 3HG2 VAL 118 3.801 -26.587 -0.945 909 H SER 119 H SER 119 5.641 -24.316 2.274 910 HA SER 119 HA SER 119 7.831 -22.420 2.057 911 HB2 SER 119 1HB SER 119 5.890 -22.497 3.847 912 HB3 SER 119 2HB SER 119 6.982 -23.614 4.666 913 HG SER 119 HG SER 119 7.095 -20.947 4.559 914 H GLY 120 H GLY 120 9.753 -22.827 3.574 915 HA2 GLY 120 1HA GLY 120 11.453 -24.204 4.371 916 HA3 GLY 120 2HA GLY 120 10.501 -25.606 3.903 917 HA PRO 121 HA PRO 121 12.747 -24.110 -0.114 918 HB2 PRO 121 1HB PRO 121 14.632 -22.181 0.197 919 HB3 PRO 121 2HB PRO 121 12.936 -21.821 -0.147 920 HG2 PRO 121 1HG PRO 121 14.389 -21.772 2.470 921 HG3 PRO 121 2HG PRO 121 13.216 -20.612 1.820 922 HD2 PRO 121 1HD PRO 121 12.545 -22.495 3.647 923 HD3 PRO 121 2HD PRO 121 11.410 -21.917 2.410 924 H SER 122 H SER 122 15.103 -24.258 -0.906 925 HA SER 122 HA SER 122 16.679 -25.818 1.036 926 HB2 SER 122 1HB SER 122 15.670 -27.254 -0.703 927 HB3 SER 122 2HB SER 122 16.463 -26.289 -1.948 928 HG SER 122 HG SER 122 17.938 -27.522 0.118 929 H SER 123 H SER 123 17.883 -23.958 1.598 930 HA SER 123 HA SER 123 19.243 -22.363 -0.318 931 HB2 SER 123 1HB SER 123 19.760 -22.754 2.639 932 HB3 SER 123 2HB SER 123 20.518 -21.513 1.643 933 HG SER 123 HG SER 123 17.765 -21.801 2.254 934 H GLY 124 H GLY 124 20.725 -23.192 -1.645 935 HA2 GLY 124 1HA GLY 124 22.858 -24.845 -0.449 936 HA3 GLY 124 2HA GLY 124 22.111 -25.302 -1.973 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.187 -6.820 -24.121 2 HA2 GLY 1 1HA GLY 1 -0.338 -7.447 -22.106 3 HA3 GLY 1 2HA GLY 1 0.828 -8.750 -21.936 4 H SER 2 H SER 2 3.211 -7.817 -22.102 5 HA SER 2 HA SER 2 3.331 -5.623 -20.144 6 HB2 SER 2 1HB SER 2 5.561 -6.568 -19.530 7 HB3 SER 2 2HB SER 2 4.228 -7.687 -19.248 8 HG SER 2 HG SER 2 6.384 -8.096 -20.698 9 H SER 3 H SER 3 5.272 -4.233 -20.264 10 HA SER 3 HA SER 3 5.493 -2.903 -22.658 11 HB2 SER 3 1HB SER 3 7.331 -3.081 -20.285 12 HB3 SER 3 2HB SER 3 7.770 -2.110 -21.690 13 HG SER 3 HG SER 3 6.445 -1.183 -19.802 14 H GLY 4 H GLY 4 8.003 -5.070 -21.325 15 HA2 GLY 4 1HA GLY 4 8.472 -6.721 -23.410 16 HA3 GLY 4 2HA GLY 4 9.290 -5.248 -23.910 17 H SER 5 H SER 5 10.806 -4.317 -22.209 18 HA SER 5 HA SER 5 12.984 -5.796 -21.795 19 HB2 SER 5 1HB SER 5 13.589 -4.368 -19.913 20 HB3 SER 5 2HB SER 5 12.778 -3.409 -21.151 21 HG SER 5 HG SER 5 11.207 -4.536 -19.139 22 H SER 6 H SER 6 13.843 -7.223 -20.301 23 HA SER 6 HA SER 6 12.024 -9.049 -19.123 24 HB2 SER 6 1HB SER 6 14.107 -10.082 -18.153 25 HB3 SER 6 2HB SER 6 14.142 -9.872 -19.903 26 HG SER 6 HG SER 6 15.154 -7.819 -18.297 27 H GLY 7 H GLY 7 10.813 -8.482 -17.426 28 HA2 GLY 7 1HA GLY 7 11.728 -8.255 -14.858 29 HA3 GLY 7 2HA GLY 7 11.704 -6.601 -15.450 30 H ASN 8 H ASN 8 10.139 -7.645 -13.298 31 HA ASN 8 HA ASN 8 7.431 -7.802 -14.385 32 HB2 ASN 8 1HB ASN 8 6.935 -8.061 -11.819 33 HB3 ASN 8 2HB ASN 8 7.617 -9.407 -12.727 34 HD21 ASN 8 1HD2 ASN 8 8.271 -10.101 -10.566 35 HD22 ASN 8 2HD2 ASN 8 9.758 -9.503 -9.919 36 H ASP 9 H ASP 9 6.812 -5.785 -14.980 37 HA ASP 9 HA ASP 9 7.193 -3.574 -13.099 38 HB2 ASP 9 1HB ASP 9 6.464 -2.135 -14.972 39 HB3 ASP 9 2HB ASP 9 7.847 -3.136 -15.405 40 H ASP 10 H ASP 10 4.596 -5.049 -15.040 41 HA ASP 10 HA ASP 10 2.583 -3.682 -13.448 42 HB2 ASP 10 1HB ASP 10 1.940 -5.728 -15.542 43 HB3 ASP 10 2HB ASP 10 1.039 -4.287 -15.080 44 H ILE 11 H ILE 11 3.560 -7.017 -14.184 45 HA ILE 11 HA ILE 11 1.806 -8.575 -12.927 46 HB ILE 11 HB ILE 11 4.805 -8.714 -12.706 47 HG12 ILE 11 1HG1 ILE 11 2.855 -10.443 -14.236 48 HG13 ILE 11 2HG1 ILE 11 3.661 -9.039 -14.926 49 HG21 ILE 11 1HG2 ILE 11 2.745 -10.638 -11.656 50 HG22 ILE 11 2HG2 ILE 11 4.415 -11.099 -11.982 51 HG23 ILE 11 3HG2 ILE 11 4.062 -9.863 -10.774 52 HD11 ILE 11 1HD1 ILE 11 5.285 -10.410 -15.540 53 HD12 ILE 11 2HD1 ILE 11 5.711 -10.557 -13.835 54 HD13 ILE 11 3HD1 ILE 11 4.623 -11.730 -14.576 55 H ILE 12 H ILE 12 4.220 -6.607 -11.238 56 HA ILE 12 HA ILE 12 3.478 -7.469 -8.630 57 HB ILE 12 HB ILE 12 4.906 -4.933 -9.438 58 HG12 ILE 12 1HG1 ILE 12 6.018 -7.623 -8.610 59 HG13 ILE 12 2HG1 ILE 12 6.042 -6.968 -10.243 60 HG21 ILE 12 1HG2 ILE 12 5.365 -4.529 -7.252 61 HG22 ILE 12 2HG2 ILE 12 3.832 -5.374 -7.042 62 HG23 ILE 12 3HG2 ILE 12 5.353 -6.239 -6.819 63 HD11 ILE 12 1HD1 ILE 12 7.428 -5.757 -7.863 64 HD12 ILE 12 2HD1 ILE 12 8.195 -6.734 -9.115 65 HD13 ILE 12 3HD1 ILE 12 7.493 -5.169 -9.525 66 H VAL 13 H VAL 13 2.875 -4.427 -10.394 67 HA VAL 13 HA VAL 13 1.292 -3.147 -8.533 68 HB VAL 13 HB VAL 13 0.972 -3.081 -11.537 69 HG11 VAL 13 1HG1 VAL 13 -0.880 -2.158 -9.912 70 HG12 VAL 13 2HG1 VAL 13 0.244 -0.806 -9.759 71 HG13 VAL 13 3HG1 VAL 13 -0.392 -1.251 -11.344 72 HG21 VAL 13 1HG2 VAL 13 2.950 -2.066 -11.539 73 HG22 VAL 13 2HG2 VAL 13 2.222 -0.756 -10.609 74 HG23 VAL 13 3HG2 VAL 13 3.021 -2.090 -9.777 75 H ASN 14 H ASN 14 0.334 -5.531 -10.968 76 HA ASN 14 HA ASN 14 -2.435 -5.394 -10.592 77 HB2 ASN 14 1HB ASN 14 -0.550 -7.435 -11.676 78 HB3 ASN 14 2HB ASN 14 -2.196 -7.945 -11.314 79 HD21 ASN 14 1HD2 ASN 14 -0.533 -5.212 -12.855 80 HD22 ASN 14 2HD2 ASN 14 -1.600 -5.108 -14.209 81 H TRP 15 H TRP 15 -0.037 -7.544 -9.079 82 HA TRP 15 HA TRP 15 -1.794 -8.993 -7.469 83 HB2 TRP 15 1HB TRP 15 0.598 -9.566 -7.861 84 HB3 TRP 15 2HB TRP 15 1.059 -8.233 -6.807 85 HD1 TRP 15 HD TRP 15 -0.166 -11.809 -6.734 86 HE1 TRP 15 1HE TRP 15 -0.201 -12.646 -4.300 87 HE3 TRP 15 3HE TRP 15 0.680 -7.373 -4.338 88 HZ2 TRP 15 2HZ TRP 15 0.090 -11.569 -1.708 89 HZ3 TRP 15 3HZ TRP 15 0.787 -7.362 -1.880 90 HH2 TRP 15 HH TRP 15 0.497 -9.417 -0.594 91 H VAL 16 H VAL 16 -0.103 -5.945 -6.840 92 HA VAL 16 HA VAL 16 -0.762 -5.604 -4.163 93 HB VAL 16 HB VAL 16 -0.490 -3.478 -6.292 94 HG11 VAL 16 1HG1 VAL 16 0.297 -2.325 -3.960 95 HG12 VAL 16 2HG1 VAL 16 -1.304 -2.143 -4.680 96 HG13 VAL 16 3HG1 VAL 16 -1.036 -3.342 -3.414 97 HG21 VAL 16 1HG2 VAL 16 1.614 -4.277 -6.317 98 HG22 VAL 16 2HG2 VAL 16 1.776 -3.377 -4.809 99 HG23 VAL 16 3HG2 VAL 16 1.428 -5.105 -4.771 100 H ASN 17 H ASN 17 -2.566 -4.578 -7.051 101 HA ASN 17 HA ASN 17 -4.712 -3.402 -5.629 102 HB2 ASN 17 1HB ASN 17 -4.320 -4.325 -8.458 103 HB3 ASN 17 2HB ASN 17 -5.916 -3.822 -7.909 104 HD21 ASN 17 1HD2 ASN 17 -2.551 -2.708 -7.691 105 HD22 ASN 17 2HD2 ASN 17 -2.903 -1.049 -8.021 106 H ARG 18 H ARG 18 -4.280 -6.602 -7.100 107 HA ARG 18 HA ARG 18 -6.825 -7.623 -6.593 108 HB2 ARG 18 1HB ARG 18 -5.269 -8.773 -8.052 109 HB3 ARG 18 2HB ARG 18 -4.162 -9.045 -6.714 110 HG2 ARG 18 1HG ARG 18 -5.612 -10.609 -5.704 111 HG3 ARG 18 2HG ARG 18 -6.954 -10.151 -6.755 112 HD2 ARG 18 1HD ARG 18 -6.133 -11.320 -8.543 113 HD3 ARG 18 2HD ARG 18 -4.458 -11.156 -8.018 114 HE ARG 18 HE ARG 18 -5.940 -12.792 -6.231 115 HH11 ARG 18 2HH1 ARG 18 -4.391 -12.789 -9.349 116 HH12 ARG 18 1HH1 ARG 18 -4.090 -14.495 -9.347 117 HH21 ARG 18 2HH2 ARG 18 -5.549 -15.039 -6.216 118 HH22 ARG 18 1HH2 ARG 18 -4.750 -15.774 -7.565 119 H THR 19 H THR 19 -3.893 -7.740 -4.594 120 HA THR 19 HA THR 19 -4.959 -9.253 -2.486 121 HB THR 19 HB THR 19 -2.767 -7.171 -2.411 122 HG1 THR 19 1HG THR 19 -2.513 -9.107 -3.780 123 HG21 THR 19 1HG2 THR 19 -2.145 -8.857 -0.420 124 HG22 THR 19 2HG2 THR 19 -3.904 -8.961 -0.344 125 HG23 THR 19 3HG2 THR 19 -3.105 -7.398 -0.175 126 H LEU 20 H LEU 20 -5.081 -5.815 -3.184 127 HA LEU 20 HA LEU 20 -6.026 -4.965 -0.659 128 HB2 LEU 20 1HB LEU 20 -6.198 -3.776 -3.413 129 HB3 LEU 20 2HB LEU 20 -6.870 -2.973 -1.995 130 HG LEU 20 HG LEU 20 -3.985 -3.771 -2.045 131 HD11 LEU 20 1HD1 LEU 20 -4.466 -1.014 -2.805 132 HD12 LEU 20 2HD1 LEU 20 -5.062 -2.156 -4.009 133 HD13 LEU 20 3HD1 LEU 20 -3.373 -2.208 -3.505 134 HD21 LEU 20 1HD2 LEU 20 -5.770 -2.074 -0.438 135 HD22 LEU 20 2HD2 LEU 20 -4.183 -1.386 -0.785 136 HD23 LEU 20 3HD2 LEU 20 -4.310 -2.949 0.024 137 H SER 21 H SER 21 -7.642 -6.071 -3.587 138 HA SER 21 HA SER 21 -10.278 -5.471 -2.647 139 HB2 SER 21 1HB SER 21 -9.957 -5.550 -5.018 140 HB3 SER 21 2HB SER 21 -9.257 -7.166 -4.932 141 HG SER 21 HG SER 21 -11.735 -6.613 -5.385 142 H GLU 22 H GLU 22 -8.324 -8.422 -2.890 143 HA GLU 22 HA GLU 22 -10.017 -10.392 -2.190 144 HB2 GLU 22 1HB GLU 22 -7.189 -9.853 -1.386 145 HB3 GLU 22 2HB GLU 22 -8.031 -11.219 -0.668 146 HG2 GLU 22 1HG GLU 22 -8.604 -11.776 -3.163 147 HG3 GLU 22 2HG GLU 22 -7.187 -10.778 -3.484 148 H ALA 23 H ALA 23 -8.809 -7.884 -0.048 149 HA ALA 23 HA ALA 23 -10.307 -9.025 2.197 150 HB1 ALA 23 1HB ALA 23 -9.143 -7.228 3.516 151 HB2 ALA 23 2HB ALA 23 -8.086 -8.443 2.795 152 HB3 ALA 23 3HB ALA 23 -8.233 -6.850 2.053 153 H GLY 24 H GLY 24 -10.066 -6.092 0.231 154 HA2 GLY 24 1HA GLY 24 -12.147 -4.978 -0.379 155 HA3 GLY 24 2HA GLY 24 -12.731 -5.323 1.242 156 H LYS 25 H LYS 25 -9.778 -3.835 -0.093 157 HA LYS 25 HA LYS 25 -9.995 -1.734 1.929 158 HB2 LYS 25 1HB LYS 25 -7.742 -2.336 0.004 159 HB3 LYS 25 2HB LYS 25 -7.694 -1.167 1.317 160 HG2 LYS 25 1HG LYS 25 -8.186 -4.092 1.784 161 HG3 LYS 25 2HG LYS 25 -6.566 -3.393 1.729 162 HD2 LYS 25 1HD LYS 25 -6.986 -2.033 3.617 163 HD3 LYS 25 2HD LYS 25 -8.723 -2.339 3.544 164 HE2 LYS 25 1HE LYS 25 -6.772 -4.575 3.969 165 HE3 LYS 25 2HE LYS 25 -7.315 -3.577 5.317 166 HZ1 LYS 25 1HZ LYS 25 -8.996 -5.253 3.539 167 HZ2 LYS 25 2HZ LYS 25 -9.626 -4.151 4.657 168 HZ3 LYS 25 3HZ LYS 25 -8.717 -5.474 5.193 169 H SER 26 H SER 26 -9.788 0.496 1.367 170 HA SER 26 HA SER 26 -10.928 1.086 -1.273 171 HB2 SER 26 1HB SER 26 -11.442 3.339 -0.189 172 HB3 SER 26 2HB SER 26 -12.318 1.949 0.450 173 HG SER 26 HG SER 26 -10.231 3.428 1.603 174 H THR 27 H THR 27 -8.094 0.550 -0.841 175 HA THR 27 HA THR 27 -7.033 3.114 -1.819 176 HB THR 27 HB THR 27 -4.860 2.561 -0.698 177 HG1 THR 27 1HG THR 27 -6.322 0.351 0.019 178 HG21 THR 27 1HG2 THR 27 -6.347 4.216 0.278 179 HG22 THR 27 2HG2 THR 27 -5.587 3.266 1.555 180 HG23 THR 27 3HG2 THR 27 -7.259 2.948 1.095 181 H SER 28 H SER 28 -5.259 2.952 -3.278 182 HA SER 28 HA SER 28 -4.197 0.485 -4.168 183 HB2 SER 28 1HB SER 28 -5.258 0.375 -6.389 184 HB3 SER 28 2HB SER 28 -6.448 0.182 -5.101 185 HG SER 28 HG SER 28 -7.268 1.635 -6.570 186 H ILE 29 H ILE 29 -2.619 0.740 -5.808 187 HA ILE 29 HA ILE 29 -1.884 3.551 -6.300 188 HB ILE 29 HB ILE 29 0.458 2.658 -6.587 189 HG12 ILE 29 1HG1 ILE 29 -0.529 0.250 -5.073 190 HG13 ILE 29 2HG1 ILE 29 -0.442 0.251 -6.831 191 HG21 ILE 29 1HG2 ILE 29 -1.056 3.123 -4.183 192 HG22 ILE 29 2HG2 ILE 29 0.274 2.006 -3.880 193 HG23 ILE 29 3HG2 ILE 29 0.598 3.593 -4.576 194 HD11 ILE 29 1HD1 ILE 29 1.948 0.685 -6.721 195 HD12 ILE 29 2HD1 ILE 29 1.867 0.713 -4.959 196 HD13 ILE 29 3HD1 ILE 29 1.521 -0.778 -5.834 197 H GLN 30 H GLN 30 -0.470 3.819 -8.288 198 HA GLN 30 HA GLN 30 -1.694 2.316 -10.494 199 HB2 GLN 30 1HB GLN 30 -0.343 5.019 -10.456 200 HB3 GLN 30 2HB GLN 30 -0.945 4.230 -11.908 201 HG2 GLN 30 1HG GLN 30 -2.752 4.751 -9.582 202 HG3 GLN 30 2HG GLN 30 -2.401 6.010 -10.765 203 HE21 GLN 30 1HE2 GLN 30 -4.664 3.915 -9.964 204 HE22 GLN 30 2HE2 GLN 30 -5.308 3.504 -11.514 205 H SER 31 H SER 31 1.406 3.457 -9.244 206 HA SER 31 HA SER 31 2.817 1.215 -10.223 207 HB2 SER 31 1HB SER 31 2.813 3.680 -11.909 208 HB3 SER 31 2HB SER 31 4.324 2.785 -11.747 209 HG SER 31 HG SER 31 3.060 2.066 -13.525 210 H PHE 32 H PHE 32 5.243 1.539 -9.976 211 HA PHE 32 HA PHE 32 5.800 2.465 -7.397 212 HB2 PHE 32 1HB PHE 32 7.881 2.152 -9.555 213 HB3 PHE 32 2HB PHE 32 8.067 1.906 -7.822 214 HD1 PHE 32 1HD PHE 32 6.168 0.116 -6.935 215 HD2 PHE 32 2HD PHE 32 7.985 0.230 -10.782 216 HE1 PHE 32 1HE PHE 32 5.698 -2.282 -7.224 217 HE2 PHE 32 2HE PHE 32 7.517 -2.167 -11.078 218 HZ PHE 32 HZ PHE 32 6.371 -3.426 -9.298 219 H LYS 33 H LYS 33 5.345 4.217 -10.217 220 HA LYS 33 HA LYS 33 6.947 6.480 -9.232 221 HB2 LYS 33 1HB LYS 33 5.935 5.753 -11.971 222 HB3 LYS 33 2HB LYS 33 6.455 7.389 -11.593 223 HG2 LYS 33 1HG LYS 33 8.662 6.484 -10.926 224 HG3 LYS 33 2HG LYS 33 8.124 4.888 -11.456 225 HD2 LYS 33 1HD LYS 33 9.259 5.664 -13.318 226 HD3 LYS 33 2HD LYS 33 7.591 6.101 -13.694 227 HE2 LYS 33 1HE LYS 33 7.966 8.337 -13.392 228 HE3 LYS 33 2HE LYS 33 9.260 8.074 -12.225 229 HZ1 LYS 33 1HZ LYS 33 9.577 7.406 -15.089 230 HZ2 LYS 33 2HZ LYS 33 10.782 7.611 -13.921 231 HZ3 LYS 33 3HZ LYS 33 9.919 8.950 -14.488 232 H ASP 34 H ASP 34 4.169 5.500 -8.441 233 HA ASP 34 HA ASP 34 2.503 7.750 -9.238 234 HB2 ASP 34 1HB ASP 34 1.631 5.381 -9.088 235 HB3 ASP 34 2HB ASP 34 1.793 5.512 -7.339 236 H LYS 35 H LYS 35 1.787 9.353 -7.888 237 HA LYS 35 HA LYS 35 3.395 9.829 -5.527 238 HB2 LYS 35 1HB LYS 35 1.167 11.558 -6.601 239 HB3 LYS 35 2HB LYS 35 2.486 12.040 -5.542 240 HG2 LYS 35 1HG LYS 35 2.982 11.020 -8.318 241 HG3 LYS 35 2HG LYS 35 2.627 12.718 -7.991 242 HD2 LYS 35 1HD LYS 35 4.907 12.778 -7.876 243 HD3 LYS 35 2HD LYS 35 4.541 12.398 -6.192 244 HE2 LYS 35 1HE LYS 35 6.133 10.813 -6.635 245 HE3 LYS 35 2HE LYS 35 4.674 9.921 -7.063 246 HZ1 LYS 35 1HZ LYS 35 6.690 11.128 -8.842 247 HZ2 LYS 35 2HZ LYS 35 5.119 10.845 -9.402 248 HZ3 LYS 35 3HZ LYS 35 6.066 9.555 -8.852 249 H THR 36 H THR 36 1.381 7.664 -5.542 250 HA THR 36 HA THR 36 -0.474 8.640 -3.481 251 HB THR 36 HB THR 36 -1.566 6.331 -3.883 252 HG1 THR 36 1HG THR 36 0.160 5.484 -5.159 253 HG21 THR 36 1HG2 THR 36 -2.695 7.221 -5.990 254 HG22 THR 36 2HG2 THR 36 -1.603 8.600 -5.860 255 HG23 THR 36 3HG2 THR 36 -2.747 8.257 -4.564 256 H ILE 37 H ILE 37 2.302 6.712 -3.978 257 HA ILE 37 HA ILE 37 1.960 4.962 -1.738 258 HB ILE 37 HB ILE 37 4.519 5.685 -3.169 259 HG12 ILE 37 1HG1 ILE 37 2.983 3.171 -3.684 260 HG13 ILE 37 2HG1 ILE 37 2.462 4.659 -4.467 261 HG21 ILE 37 1HG2 ILE 37 4.060 4.179 -0.847 262 HG22 ILE 37 2HG2 ILE 37 4.392 3.017 -2.131 263 HG23 ILE 37 3HG2 ILE 37 5.552 4.297 -1.780 264 HD11 ILE 37 1HD1 ILE 37 3.986 4.350 -6.031 265 HD12 ILE 37 2HD1 ILE 37 5.259 4.444 -4.813 266 HD13 ILE 37 3HD1 ILE 37 4.539 2.886 -5.219 267 H SER 38 H SER 38 3.283 8.143 -2.234 268 HA SER 38 HA SER 38 4.962 8.418 -0.052 269 HB2 SER 38 1HB SER 38 4.552 10.815 -0.204 270 HB3 SER 38 2HB SER 38 4.658 10.129 -1.825 271 HG SER 38 HG SER 38 2.400 10.171 -1.936 272 H SER 39 H SER 39 1.460 8.484 -0.195 273 HA SER 39 HA SER 39 1.125 9.402 2.504 274 HB2 SER 39 1HB SER 39 -1.219 9.111 2.145 275 HB3 SER 39 2HB SER 39 -0.553 9.714 0.627 276 HG SER 39 HG SER 39 -0.371 7.245 0.248 277 H SER 40 H SER 40 1.881 6.429 1.072 278 HA SER 40 HA SER 40 2.031 4.289 1.837 279 HB2 SER 40 1HB SER 40 2.016 5.586 4.571 280 HB3 SER 40 2HB SER 40 2.668 4.001 4.158 281 HG SER 40 HG SER 40 3.911 6.329 4.096 282 H LEU 41 H LEU 41 -0.638 5.516 1.509 283 HA LEU 41 HA LEU 41 -2.291 4.355 3.570 284 HB2 LEU 41 1HB LEU 41 -2.983 5.640 0.933 285 HB3 LEU 41 2HB LEU 41 -4.163 5.109 2.129 286 HG LEU 41 HG LEU 41 -2.072 7.204 2.687 287 HD11 LEU 41 1HD1 LEU 41 -4.430 8.543 2.547 288 HD12 LEU 41 2HD1 LEU 41 -4.610 7.382 1.232 289 HD13 LEU 41 3HD1 LEU 41 -3.230 8.481 1.255 290 HD21 LEU 41 1HD2 LEU 41 -4.279 5.949 4.187 291 HD22 LEU 41 2HD2 LEU 41 -4.135 7.700 4.339 292 HD23 LEU 41 3HD2 LEU 41 -2.772 6.662 4.763 293 H ALA 42 H ALA 42 -1.341 3.595 0.269 294 HA ALA 42 HA ALA 42 -3.132 1.367 0.020 295 HB1 ALA 42 1HB ALA 42 -1.460 0.888 -1.959 296 HB2 ALA 42 2HB ALA 42 -2.639 2.196 -2.053 297 HB3 ALA 42 3HB ALA 42 -0.963 2.549 -1.636 298 H VAL 43 H VAL 43 0.209 1.834 0.985 299 HA VAL 43 HA VAL 43 1.047 -0.851 0.887 300 HB VAL 43 HB VAL 43 2.011 1.324 2.751 301 HG11 VAL 43 1HG1 VAL 43 2.695 -1.443 2.520 302 HG12 VAL 43 2HG1 VAL 43 4.076 -0.454 2.039 303 HG13 VAL 43 3HG1 VAL 43 3.337 -0.227 3.624 304 HG21 VAL 43 1HG2 VAL 43 3.895 1.128 0.822 305 HG22 VAL 43 2HG2 VAL 43 2.437 0.801 -0.115 306 HG23 VAL 43 3HG2 VAL 43 2.578 2.302 0.800 307 H VAL 44 H VAL 44 -0.120 1.085 3.645 308 HA VAL 44 HA VAL 44 -0.073 -0.946 5.557 309 HB VAL 44 HB VAL 44 -1.985 1.388 5.404 310 HG11 VAL 44 1HG1 VAL 44 -1.104 0.128 7.956 311 HG12 VAL 44 2HG1 VAL 44 -2.591 1.002 7.582 312 HG13 VAL 44 3HG1 VAL 44 -2.373 -0.653 7.013 313 HG21 VAL 44 1HG2 VAL 44 0.428 1.990 5.318 314 HG22 VAL 44 2HG2 VAL 44 -0.405 2.597 6.749 315 HG23 VAL 44 3HG2 VAL 44 0.641 1.182 6.872 316 H ASP 45 H ASP 45 -2.803 0.175 3.560 317 HA ASP 45 HA ASP 45 -4.728 -1.603 4.463 318 HB2 ASP 45 1HB ASP 45 -4.308 -0.208 1.837 319 HB3 ASP 45 2HB ASP 45 -5.642 -1.342 2.039 320 H LEU 46 H LEU 46 -2.146 -2.082 2.138 321 HA LEU 46 HA LEU 46 -3.025 -4.505 1.024 322 HB2 LEU 46 1HB LEU 46 -1.156 -3.019 0.212 323 HB3 LEU 46 2HB LEU 46 -0.156 -3.719 1.483 324 HG LEU 46 HG LEU 46 -0.656 -5.976 0.396 325 HD11 LEU 46 1HD1 LEU 46 -1.718 -4.091 -1.677 326 HD12 LEU 46 2HD1 LEU 46 -2.444 -5.565 -1.038 327 HD13 LEU 46 3HD1 LEU 46 -1.056 -5.664 -2.120 328 HD21 LEU 46 1HD2 LEU 46 1.422 -5.755 -0.345 329 HD22 LEU 46 2HD2 LEU 46 1.299 -4.014 -0.086 330 HD23 LEU 46 3HD2 LEU 46 0.884 -4.704 -1.656 331 H ILE 47 H ILE 47 -0.488 -4.050 3.495 332 HA ILE 47 HA ILE 47 0.056 -6.577 4.230 333 HB ILE 47 HB ILE 47 -0.397 -4.239 6.082 334 HG12 ILE 47 1HG1 ILE 47 2.271 -5.399 5.399 335 HG13 ILE 47 2HG1 ILE 47 1.461 -4.395 4.201 336 HG21 ILE 47 1HG2 ILE 47 -0.437 -5.833 7.680 337 HG22 ILE 47 2HG2 ILE 47 0.327 -7.040 6.647 338 HG23 ILE 47 3HG2 ILE 47 1.310 -5.810 7.443 339 HD11 ILE 47 1HD1 ILE 47 2.726 -2.844 5.299 340 HD12 ILE 47 2HD1 ILE 47 1.218 -2.737 6.208 341 HD13 ILE 47 3HD1 ILE 47 2.575 -3.658 6.856 342 H ASP 48 H ASP 48 -2.560 -4.723 5.801 343 HA ASP 48 HA ASP 48 -3.707 -6.503 7.422 344 HB2 ASP 48 1HB ASP 48 -4.820 -4.452 7.257 345 HB3 ASP 48 2HB ASP 48 -4.997 -4.581 5.509 346 H ALA 49 H ALA 49 -4.254 -6.467 3.909 347 HA ALA 49 HA ALA 49 -6.050 -8.519 3.644 348 HB1 ALA 49 1HB ALA 49 -4.643 -7.010 1.904 349 HB2 ALA 49 2HB ALA 49 -3.867 -8.577 1.672 350 HB3 ALA 49 3HB ALA 49 -5.607 -8.412 1.439 351 H ILE 50 H ILE 50 -2.501 -8.840 3.705 352 HA ILE 50 HA ILE 50 -2.523 -11.677 3.612 353 HB ILE 50 HB ILE 50 -0.331 -9.871 4.638 354 HG12 ILE 50 1HG1 ILE 50 -0.330 -11.058 1.898 355 HG13 ILE 50 2HG1 ILE 50 -1.329 -9.638 2.191 356 HG21 ILE 50 1HG2 ILE 50 0.908 -12.008 3.546 357 HG22 ILE 50 2HG2 ILE 50 0.506 -11.867 5.257 358 HG23 ILE 50 3HG2 ILE 50 -0.555 -12.767 4.174 359 HD11 ILE 50 1HD1 ILE 50 1.648 -9.880 2.512 360 HD12 ILE 50 2HD1 ILE 50 0.760 -8.899 1.346 361 HD13 ILE 50 3HD1 ILE 50 0.710 -8.491 3.061 362 H GLN 51 H GLN 51 -1.644 -9.489 6.294 363 HA GLN 51 HA GLN 51 -2.630 -11.547 8.157 364 HB2 GLN 51 1HB GLN 51 -0.202 -11.453 8.258 365 HB3 GLN 51 2HB GLN 51 -0.252 -9.712 8.495 366 HG2 GLN 51 1HG GLN 51 -0.909 -9.884 10.676 367 HG3 GLN 51 2HG GLN 51 -1.687 -11.448 10.433 368 HE21 GLN 51 1HE2 GLN 51 -0.309 -11.447 12.584 369 HE22 GLN 51 2HE2 GLN 51 1.238 -12.199 12.420 370 HA PRO 52 HA PRO 52 -5.079 -7.704 8.845 371 HB2 PRO 52 1HB PRO 52 -7.403 -9.018 9.333 372 HB3 PRO 52 2HB PRO 52 -6.855 -8.609 7.703 373 HG2 PRO 52 1HG PRO 52 -6.646 -11.207 9.175 374 HG3 PRO 52 2HG PRO 52 -7.093 -10.912 7.485 375 HD2 PRO 52 1HD PRO 52 -4.616 -11.727 8.216 376 HD3 PRO 52 2HD PRO 52 -4.900 -10.674 6.816 377 H GLY 53 H GLY 53 -6.498 -7.169 10.767 378 HA2 GLY 53 1HA GLY 53 -7.055 -7.368 13.032 379 HA3 GLY 53 2HA GLY 53 -6.056 -8.810 13.129 380 H CYS 54 H CYS 54 -3.751 -7.472 11.885 381 HA CYS 54 HA CYS 54 -2.690 -6.295 14.301 382 HB2 CYS 54 1HB CYS 54 -0.552 -6.423 13.239 383 HB3 CYS 54 2HB CYS 54 -1.411 -7.908 12.848 384 HG CYS 54 HG CYS 54 -2.142 -6.996 10.264 385 H ILE 55 H ILE 55 -3.345 -5.265 10.977 386 HA ILE 55 HA ILE 55 -2.296 -2.679 11.147 387 HB ILE 55 HB ILE 55 -4.634 -3.646 9.497 388 HG12 ILE 55 1HG1 ILE 55 -2.651 -4.917 8.988 389 HG13 ILE 55 2HG1 ILE 55 -2.909 -3.761 7.686 390 HG21 ILE 55 1HG2 ILE 55 -2.913 -1.202 9.107 391 HG22 ILE 55 2HG2 ILE 55 -4.258 -1.718 8.090 392 HG23 ILE 55 3HG2 ILE 55 -4.556 -1.192 9.747 393 HD11 ILE 55 1HD1 ILE 55 -0.578 -3.846 8.216 394 HD12 ILE 55 2HD1 ILE 55 -1.221 -2.286 8.734 395 HD13 ILE 55 3HD1 ILE 55 -0.911 -3.551 9.923 396 H ASN 56 H ASN 56 -2.833 -1.124 12.518 397 HA ASN 56 HA ASN 56 -5.620 -0.949 13.445 398 HB2 ASN 56 1HB ASN 56 -3.538 -1.219 15.044 399 HB3 ASN 56 2HB ASN 56 -3.389 0.518 14.794 400 HD21 ASN 56 1HD2 ASN 56 -3.782 -0.148 17.276 401 HD22 ASN 56 2HD2 ASN 56 -5.409 0.125 17.788 402 H TYR 57 H TYR 57 -6.491 0.288 11.805 403 HA TYR 57 HA TYR 57 -5.353 2.509 10.585 404 HB2 TYR 57 1HB TYR 57 -8.249 1.832 11.110 405 HB3 TYR 57 2HB TYR 57 -7.740 3.186 10.106 406 HD1 TYR 57 2HD TYR 57 -5.737 2.322 8.379 407 HD2 TYR 57 1HD TYR 57 -8.984 0.027 9.892 408 HE1 TYR 57 2HE TYR 57 -5.577 0.825 6.434 409 HE2 TYR 57 1HE TYR 57 -8.833 -1.477 7.952 410 HH TYR 57 HH TYR 57 -6.672 -0.800 5.266 411 H ASP 58 H ASP 58 -7.156 2.252 13.595 412 HA ASP 58 HA ASP 58 -7.848 4.770 14.239 413 HB2 ASP 58 1HB ASP 58 -7.915 2.680 15.711 414 HB3 ASP 58 2HB ASP 58 -6.276 3.102 16.198 415 H LEU 59 H LEU 59 -4.571 3.551 14.031 416 HA LEU 59 HA LEU 59 -3.484 6.099 14.958 417 HB2 LEU 59 1HB LEU 59 -1.991 3.630 14.096 418 HB3 LEU 59 2HB LEU 59 -1.346 5.014 14.977 419 HG LEU 59 HG LEU 59 -3.437 3.152 16.094 420 HD11 LEU 59 1HD1 LEU 59 -1.725 1.672 16.059 421 HD12 LEU 59 2HD1 LEU 59 -1.253 2.557 17.509 422 HD13 LEU 59 3HD1 LEU 59 -0.491 2.928 15.962 423 HD21 LEU 59 1HD2 LEU 59 -3.533 4.574 17.793 424 HD22 LEU 59 2HD2 LEU 59 -2.473 5.672 16.909 425 HD23 LEU 59 3HD2 LEU 59 -1.786 4.479 18.012 426 H VAL 60 H VAL 60 -3.575 4.049 12.083 427 HA VAL 60 HA VAL 60 -1.844 5.483 10.443 428 HB VAL 60 HB VAL 60 -4.345 3.993 9.633 429 HG11 VAL 60 1HG1 VAL 60 -3.339 3.833 7.430 430 HG12 VAL 60 2HG1 VAL 60 -3.529 5.525 7.891 431 HG13 VAL 60 3HG1 VAL 60 -1.943 4.759 7.978 432 HG21 VAL 60 1HG2 VAL 60 -1.756 2.739 9.158 433 HG22 VAL 60 2HG2 VAL 60 -2.103 2.995 10.869 434 HG23 VAL 60 3HG2 VAL 60 -3.225 2.071 9.870 435 H LYS 61 H LYS 61 -1.958 7.369 9.396 436 HA LYS 61 HA LYS 61 -4.368 8.981 9.724 437 HB2 LYS 61 1HB LYS 61 -1.503 9.559 9.109 438 HB3 LYS 61 2HB LYS 61 -2.723 10.719 8.600 439 HG2 LYS 61 1HG LYS 61 -2.571 9.726 11.425 440 HG3 LYS 61 2HG LYS 61 -1.604 11.089 10.857 441 HD2 LYS 61 1HD LYS 61 -3.940 11.927 9.961 442 HD3 LYS 61 2HD LYS 61 -4.551 10.869 11.235 443 HE2 LYS 61 1HE LYS 61 -4.340 12.873 12.354 444 HE3 LYS 61 2HE LYS 61 -2.797 12.101 12.715 445 HZ1 LYS 61 1HZ LYS 61 -3.211 14.046 10.512 446 HZ2 LYS 61 2HZ LYS 61 -1.737 13.399 11.030 447 HZ3 LYS 61 3HZ LYS 61 -2.598 14.452 12.036 448 H SER 62 H SER 62 -4.716 10.560 7.766 449 HA SER 62 HA SER 62 -4.211 9.551 5.155 450 HB2 SER 62 1HB SER 62 -5.936 7.919 5.961 451 HB3 SER 62 2HB SER 62 -7.062 9.265 6.129 452 HG SER 62 HG SER 62 -7.467 8.990 4.096 453 H GLY 63 H GLY 63 -5.732 10.724 3.519 454 HA2 GLY 63 1HA GLY 63 -6.661 12.684 2.725 455 HA3 GLY 63 2HA GLY 63 -6.889 13.199 4.390 456 H ASN 64 H ASN 64 -6.031 15.177 4.508 457 HA ASN 64 HA ASN 64 -3.785 16.018 2.982 458 HB2 ASN 64 1HB ASN 64 -5.030 17.296 5.428 459 HB3 ASN 64 2HB ASN 64 -3.911 18.078 4.315 460 HD21 ASN 64 1HD2 ASN 64 -7.140 16.904 4.785 461 HD22 ASN 64 2HD2 ASN 64 -7.840 17.674 3.406 462 H LEU 65 H LEU 65 -2.139 14.512 3.448 463 HA LEU 65 HA LEU 65 -1.122 14.411 6.180 464 HB2 LEU 65 1HB LEU 65 -0.165 12.973 3.710 465 HB3 LEU 65 2HB LEU 65 0.366 12.671 5.363 466 HG LEU 65 HG LEU 65 -2.459 12.242 4.402 467 HD11 LEU 65 1HD1 LEU 65 -0.325 10.158 4.817 468 HD12 LEU 65 2HD1 LEU 65 -0.796 10.790 3.240 469 HD13 LEU 65 3HD1 LEU 65 -1.968 9.913 4.224 470 HD21 LEU 65 1HD2 LEU 65 -2.949 11.509 6.479 471 HD22 LEU 65 2HD2 LEU 65 -1.608 12.560 6.934 472 HD23 LEU 65 3HD2 LEU 65 -1.343 10.827 6.737 473 H THR 66 H THR 66 0.118 16.081 6.740 474 HA THR 66 HA THR 66 1.589 17.674 4.921 475 HB THR 66 HB THR 66 2.602 18.710 6.907 476 HG1 THR 66 1HG THR 66 2.072 17.876 8.969 477 HG21 THR 66 1HG2 THR 66 -0.306 18.313 6.603 478 HG22 THR 66 2HG2 THR 66 0.637 19.803 6.659 479 HG23 THR 66 3HG2 THR 66 0.217 18.967 8.154 480 H GLU 67 H GLU 67 3.975 18.043 5.113 481 HA GLU 67 HA GLU 67 5.486 16.003 4.228 482 HB2 GLU 67 1HB GLU 67 6.177 18.415 5.845 483 HB3 GLU 67 2HB GLU 67 7.431 17.218 5.552 484 HG2 GLU 67 1HG GLU 67 6.809 17.435 3.085 485 HG3 GLU 67 2HG GLU 67 5.944 18.894 3.565 486 H ASP 68 H ASP 68 4.770 16.684 7.609 487 HA ASP 68 HA ASP 68 6.488 14.631 8.630 488 HB2 ASP 68 1HB ASP 68 5.956 16.551 10.018 489 HB3 ASP 68 2HB ASP 68 4.237 16.178 9.929 490 H ASP 69 H ASP 69 2.935 14.963 8.546 491 HA ASP 69 HA ASP 69 2.111 12.577 9.483 492 HB2 ASP 69 1HB ASP 69 1.057 13.997 7.030 493 HB3 ASP 69 2HB ASP 69 0.213 12.690 7.856 494 H LYS 70 H LYS 70 2.654 13.038 5.987 495 HA LYS 70 HA LYS 70 2.440 10.552 5.025 496 HB2 LYS 70 1HB LYS 70 4.632 12.534 4.402 497 HB3 LYS 70 2HB LYS 70 4.345 11.080 3.455 498 HG2 LYS 70 1HG LYS 70 2.028 11.898 3.034 499 HG3 LYS 70 2HG LYS 70 2.477 13.409 3.830 500 HD2 LYS 70 1HD LYS 70 4.205 13.801 2.175 501 HD3 LYS 70 2HD LYS 70 3.860 12.247 1.411 502 HE2 LYS 70 1HE LYS 70 2.654 13.632 0.050 503 HE3 LYS 70 2HE LYS 70 1.428 13.251 1.258 504 HZ1 LYS 70 1HZ LYS 70 1.396 15.580 0.914 505 HZ2 LYS 70 2HZ LYS 70 3.074 15.711 1.079 506 HZ3 LYS 70 3HZ LYS 70 2.120 15.328 2.422 507 H HIS 71 H HIS 71 5.459 11.766 6.483 508 HA HIS 71 HA HIS 71 6.942 9.429 6.338 509 HB2 HIS 71 1HB HIS 71 6.997 11.830 8.102 510 HB3 HIS 71 2HB HIS 71 7.952 10.433 8.590 511 HD1 HIS 71 1HD HIS 71 10.166 10.130 7.468 512 HD2 HIS 71 2HD HIS 71 7.757 12.884 5.500 513 HE1 HIS 71 1HE HIS 71 11.628 11.159 5.700 514 HE2 HIS 71 2HE HIS 71 10.173 12.883 4.578 515 H ASN 72 H ASN 72 4.728 10.505 8.891 516 HA ASN 72 HA ASN 72 5.160 8.406 10.686 517 HB2 ASN 72 1HB ASN 72 2.785 10.191 10.180 518 HB3 ASN 72 2HB ASN 72 2.765 8.958 11.438 519 HD21 ASN 72 1HD2 ASN 72 2.848 12.021 11.311 520 HD22 ASN 72 2HD2 ASN 72 4.066 12.432 12.465 521 H ASN 73 H ASN 73 2.754 8.730 8.089 522 HA ASN 73 HA ASN 73 1.416 6.320 8.482 523 HB2 ASN 73 1HB ASN 73 1.927 7.870 5.937 524 HB3 ASN 73 2HB ASN 73 0.819 6.506 6.047 525 HD21 ASN 73 1HD2 ASN 73 -1.182 7.207 6.052 526 HD22 ASN 73 2HD2 ASN 73 -1.785 8.569 6.927 527 H ALA 74 H ALA 74 4.196 7.020 6.376 528 HA ALA 74 HA ALA 74 4.525 4.478 5.292 529 HB1 ALA 74 1HB ALA 74 6.210 6.869 5.620 530 HB2 ALA 74 2HB ALA 74 7.077 5.351 5.385 531 HB3 ALA 74 3HB ALA 74 5.895 5.885 4.190 532 H LYS 75 H LYS 75 6.397 5.876 7.993 533 HA LYS 75 HA LYS 75 7.865 3.760 8.796 534 HB2 LYS 75 1HB LYS 75 6.510 5.944 10.303 535 HB3 LYS 75 2HB LYS 75 7.225 4.630 11.229 536 HG2 LYS 75 1HG LYS 75 9.388 5.078 10.339 537 HG3 LYS 75 2HG LYS 75 8.731 6.228 9.173 538 HD2 LYS 75 1HD LYS 75 8.323 6.658 12.106 539 HD3 LYS 75 2HD LYS 75 9.854 7.104 11.349 540 HE2 LYS 75 1HE LYS 75 8.221 8.260 9.609 541 HE3 LYS 75 2HE LYS 75 7.141 8.269 11.002 542 HZ1 LYS 75 1HZ LYS 75 9.870 9.199 11.438 543 HZ2 LYS 75 2HZ LYS 75 8.418 9.759 12.100 544 HZ3 LYS 75 3HZ LYS 75 8.859 10.207 10.529 545 H TYR 76 H TYR 76 4.478 4.321 9.724 546 HA TYR 76 HA TYR 76 4.109 2.130 11.375 547 HB2 TYR 76 1HB TYR 76 2.490 4.049 10.836 548 HB3 TYR 76 2HB TYR 76 1.991 3.081 9.454 549 HD1 TYR 76 1HD TYR 76 2.500 2.711 13.141 550 HD2 TYR 76 2HD TYR 76 0.183 1.674 9.726 551 HE1 TYR 76 1HE TYR 76 0.941 1.469 14.583 552 HE2 TYR 76 2HE TYR 76 -1.383 0.431 11.158 553 HH TYR 76 HH TYR 76 -0.701 -0.459 14.287 554 H ALA 77 H ALA 77 3.279 2.304 7.907 555 HA ALA 77 HA ALA 77 2.556 -0.312 7.491 556 HB1 ALA 77 1HB ALA 77 2.999 1.890 5.889 557 HB2 ALA 77 2HB ALA 77 4.152 0.700 5.285 558 HB3 ALA 77 3HB ALA 77 2.434 0.307 5.353 559 H VAL 78 H VAL 78 5.831 1.029 7.021 560 HA VAL 78 HA VAL 78 7.170 -1.279 6.358 561 HB VAL 78 HB VAL 78 8.210 0.973 8.083 562 HG11 VAL 78 1HG1 VAL 78 10.430 0.258 7.221 563 HG12 VAL 78 2HG1 VAL 78 9.665 -0.927 8.281 564 HG13 VAL 78 3HG1 VAL 78 9.657 -1.170 6.534 565 HG21 VAL 78 1HG2 VAL 78 7.381 1.817 5.989 566 HG22 VAL 78 2HG2 VAL 78 9.144 1.812 5.939 567 HG23 VAL 78 3HG2 VAL 78 8.235 0.558 5.096 568 H SER 79 H SER 79 6.698 0.030 9.639 569 HA SER 79 HA SER 79 8.003 -1.933 11.079 570 HB2 SER 79 1HB SER 79 6.769 0.277 11.828 571 HB3 SER 79 2HB SER 79 5.434 -0.830 12.148 572 HG SER 79 HG SER 79 7.855 -0.542 13.453 573 H MET 80 H MET 80 4.538 -1.834 10.246 574 HA MET 80 HA MET 80 3.802 -4.269 11.356 575 HB2 MET 80 1HB MET 80 2.702 -2.970 8.856 576 HB3 MET 80 2HB MET 80 1.904 -4.229 9.789 577 HG2 MET 80 1HG MET 80 2.478 -1.402 10.622 578 HG3 MET 80 2HG MET 80 0.909 -2.167 10.382 579 HE1 MET 80 1HE MET 80 -0.355 -3.589 12.386 580 HE2 MET 80 2HE MET 80 0.763 -4.699 11.593 581 HE3 MET 80 3HE MET 80 0.681 -4.638 13.354 582 H ALA 81 H ALA 81 4.635 -3.638 7.942 583 HA ALA 81 HA ALA 81 4.521 -6.163 6.922 584 HB1 ALA 81 1HB ALA 81 6.022 -3.735 6.270 585 HB2 ALA 81 2HB ALA 81 6.753 -5.224 5.671 586 HB3 ALA 81 3HB ALA 81 5.096 -4.815 5.227 587 H ARG 82 H ARG 82 7.410 -4.708 8.428 588 HA ARG 82 HA ARG 82 8.950 -7.081 8.325 589 HB2 ARG 82 1HB ARG 82 10.519 -5.923 9.758 590 HB3 ARG 82 2HB ARG 82 9.920 -4.812 8.534 591 HG2 ARG 82 1HG ARG 82 8.528 -3.701 10.095 592 HG3 ARG 82 2HG ARG 82 8.790 -4.949 11.315 593 HD2 ARG 82 1HD ARG 82 10.985 -3.214 10.199 594 HD3 ARG 82 2HD ARG 82 10.080 -2.822 11.661 595 HE ARG 82 HE ARG 82 11.271 -5.441 11.689 596 HH11 ARG 82 2HH1 ARG 82 11.746 -2.061 12.372 597 HH12 ARG 82 1HH1 ARG 82 13.003 -2.338 13.531 598 HH21 ARG 82 2HH2 ARG 82 12.925 -5.819 13.213 599 HH22 ARG 82 1HH2 ARG 82 13.674 -4.476 14.009 600 H ARG 83 H ARG 83 6.589 -5.867 10.557 601 HA ARG 83 HA ARG 83 7.330 -7.480 12.784 602 HB2 ARG 83 1HB ARG 83 4.936 -5.850 12.039 603 HB3 ARG 83 2HB ARG 83 4.810 -6.987 13.375 604 HG2 ARG 83 1HG ARG 83 6.581 -5.879 14.559 605 HG3 ARG 83 2HG ARG 83 6.888 -4.818 13.182 606 HD2 ARG 83 1HD ARG 83 4.909 -3.631 13.500 607 HD3 ARG 83 2HD ARG 83 4.188 -4.911 14.475 608 HE ARG 83 HE ARG 83 5.913 -2.799 15.385 609 HH11 ARG 83 2HH1 ARG 83 4.724 -6.006 16.032 610 HH12 ARG 83 1HH1 ARG 83 5.027 -5.916 17.735 611 HH21 ARG 83 2HH2 ARG 83 6.317 -2.668 17.626 612 HH22 ARG 83 1HH2 ARG 83 5.933 -4.017 18.641 613 H ILE 84 H ILE 84 4.988 -7.840 10.155 614 HA ILE 84 HA ILE 84 3.996 -10.352 11.127 615 HB ILE 84 HB ILE 84 2.873 -10.487 8.894 616 HG12 ILE 84 1HG1 ILE 84 3.980 -7.706 8.484 617 HG13 ILE 84 2HG1 ILE 84 4.652 -9.139 7.716 618 HG21 ILE 84 1HG2 ILE 84 2.517 -8.005 10.560 619 HG22 ILE 84 2HG2 ILE 84 1.386 -8.513 9.308 620 HG23 ILE 84 3HG2 ILE 84 1.663 -9.540 10.714 621 HD11 ILE 84 1HD1 ILE 84 3.269 -8.602 6.047 622 HD12 ILE 84 2HD1 ILE 84 2.035 -9.363 7.051 623 HD13 ILE 84 3HD1 ILE 84 2.240 -7.612 7.082 624 H GLY 85 H GLY 85 6.914 -9.613 9.958 625 HA2 GLY 85 1HA GLY 85 8.600 -11.160 9.439 626 HA3 GLY 85 2HA GLY 85 7.363 -12.340 9.035 627 H ALA 86 H ALA 86 8.611 -9.205 7.891 628 HA ALA 86 HA ALA 86 8.332 -10.227 5.139 629 HB1 ALA 86 1HB ALA 86 8.031 -7.349 5.982 630 HB2 ALA 86 2HB ALA 86 7.773 -8.023 4.372 631 HB3 ALA 86 3HB ALA 86 6.685 -8.451 5.693 632 H ARG 87 H ARG 87 10.379 -10.806 4.653 633 HA ARG 87 HA ARG 87 12.767 -9.984 5.547 634 HB2 ARG 87 1HB ARG 87 12.090 -11.580 3.550 635 HB3 ARG 87 2HB ARG 87 12.515 -10.177 2.578 636 HG2 ARG 87 1HG ARG 87 14.386 -11.281 4.643 637 HG3 ARG 87 2HG ARG 87 14.320 -11.928 3.003 638 HD2 ARG 87 1HD ARG 87 14.523 -9.364 2.378 639 HD3 ARG 87 2HD ARG 87 15.269 -9.283 3.974 640 HE ARG 87 HE ARG 87 17.131 -10.166 3.020 641 HH11 ARG 87 2HH1 ARG 87 14.364 -11.269 1.218 642 HH12 ARG 87 1HH1 ARG 87 15.304 -12.169 0.074 643 HH21 ARG 87 2HH2 ARG 87 18.380 -11.346 1.520 644 HH22 ARG 87 1HH2 ARG 87 17.588 -12.213 0.247 645 H VAL 88 H VAL 88 10.765 -8.219 3.244 646 HA VAL 88 HA VAL 88 12.326 -6.301 2.218 647 HB VAL 88 HB VAL 88 9.850 -6.380 1.990 648 HG11 VAL 88 1HG1 VAL 88 9.573 -6.473 4.559 649 HG12 VAL 88 2HG1 VAL 88 9.661 -4.712 4.470 650 HG13 VAL 88 3HG1 VAL 88 8.389 -5.578 3.606 651 HG21 VAL 88 1HG2 VAL 88 11.253 -3.798 2.586 652 HG22 VAL 88 2HG2 VAL 88 10.829 -4.496 1.022 653 HG23 VAL 88 3HG2 VAL 88 9.570 -3.824 2.059 654 H TYR 89 H TYR 89 13.955 -5.195 3.070 655 HA TYR 89 HA TYR 89 13.637 -4.092 5.785 656 HB2 TYR 89 1HB TYR 89 16.216 -4.043 5.708 657 HB3 TYR 89 2HB TYR 89 15.424 -5.598 5.939 658 HD1 TYR 89 1HD TYR 89 17.172 -3.463 3.483 659 HD2 TYR 89 2HD TYR 89 15.654 -7.344 4.338 660 HE1 TYR 89 1HE TYR 89 18.380 -4.358 1.536 661 HE2 TYR 89 2HE TYR 89 16.859 -8.250 2.395 662 HH TYR 89 HH TYR 89 18.834 -6.151 0.316 663 H ALA 90 H ALA 90 12.799 -2.896 3.232 664 HA ALA 90 HA ALA 90 14.625 -0.868 2.466 665 HB1 ALA 90 1HB ALA 90 11.642 -1.091 2.108 666 HB2 ALA 90 2HB ALA 90 12.639 0.167 1.376 667 HB3 ALA 90 3HB ALA 90 12.896 -1.524 0.946 668 H LEU 91 H LEU 91 14.138 1.491 2.687 669 HA LEU 91 HA LEU 91 13.665 2.091 5.495 670 HB2 LEU 91 1HB LEU 91 14.545 3.924 3.271 671 HB3 LEU 91 2HB LEU 91 14.581 4.273 4.998 672 HG LEU 91 HG LEU 91 16.284 2.259 3.534 673 HD11 LEU 91 1HD1 LEU 91 17.953 3.767 3.540 674 HD12 LEU 91 2HD1 LEU 91 17.474 4.453 5.092 675 HD13 LEU 91 3HD1 LEU 91 16.632 4.933 3.618 676 HD21 LEU 91 1HD2 LEU 91 17.414 1.999 5.727 677 HD22 LEU 91 2HD2 LEU 91 15.759 1.391 5.713 678 HD23 LEU 91 3HD2 LEU 91 16.122 2.945 6.465 679 HA PRO 92 HA PRO 92 9.612 3.709 4.984 680 HB2 PRO 92 1HB PRO 92 9.585 5.581 6.950 681 HB3 PRO 92 2HB PRO 92 9.523 3.845 7.276 682 HG2 PRO 92 1HG PRO 92 11.861 5.710 7.388 683 HG3 PRO 92 2HG PRO 92 11.402 4.423 8.518 684 HD2 PRO 92 1HD PRO 92 13.336 4.101 6.650 685 HD3 PRO 92 2HD PRO 92 12.298 2.766 7.190 686 H GLU 93 H GLU 93 12.402 5.597 4.474 687 HA GLU 93 HA GLU 93 11.025 8.042 3.805 688 HB2 GLU 93 1HB GLU 93 13.892 7.180 3.390 689 HB3 GLU 93 2HB GLU 93 13.273 8.785 3.027 690 HG2 GLU 93 1HG GLU 93 12.721 9.126 5.366 691 HG3 GLU 93 2HG GLU 93 13.282 7.499 5.748 692 H ASP 94 H ASP 94 12.284 5.242 2.126 693 HA ASP 94 HA ASP 94 12.367 6.157 -0.484 694 HB2 ASP 94 1HB ASP 94 12.495 3.948 -1.118 695 HB3 ASP 94 2HB ASP 94 12.887 3.798 0.593 696 H LEU 95 H LEU 95 9.594 4.914 1.341 697 HA LEU 95 HA LEU 95 7.729 4.999 -0.761 698 HB2 LEU 95 1HB LEU 95 7.191 5.379 2.180 699 HB3 LEU 95 2HB LEU 95 6.030 4.877 0.953 700 HG LEU 95 HG LEU 95 8.456 3.221 1.573 701 HD11 LEU 95 1HD1 LEU 95 7.614 2.422 3.475 702 HD12 LEU 95 2HD1 LEU 95 5.981 2.333 2.817 703 HD13 LEU 95 3HD1 LEU 95 6.581 3.851 3.485 704 HD21 LEU 95 1HD2 LEU 95 6.673 1.455 0.884 705 HD22 LEU 95 2HD2 LEU 95 7.478 2.418 -0.356 706 HD23 LEU 95 3HD2 LEU 95 5.847 2.839 0.168 707 H VAL 96 H VAL 96 8.452 7.367 1.794 708 HA VAL 96 HA VAL 96 6.603 9.308 1.256 709 HB VAL 96 HB VAL 96 9.506 9.739 1.972 710 HG11 VAL 96 1HG1 VAL 96 8.752 11.829 1.236 711 HG12 VAL 96 2HG1 VAL 96 7.150 11.598 1.938 712 HG13 VAL 96 3HG1 VAL 96 8.540 11.879 2.986 713 HG21 VAL 96 1HG2 VAL 96 7.819 10.192 4.166 714 HG22 VAL 96 2HG2 VAL 96 7.266 8.687 3.431 715 HG23 VAL 96 3HG2 VAL 96 8.948 8.856 3.935 716 H GLU 97 H GLU 97 9.826 9.055 -0.250 717 HA GLU 97 HA GLU 97 9.182 11.113 -2.171 718 HB2 GLU 97 1HB GLU 97 11.589 9.289 -2.095 719 HB3 GLU 97 2HB GLU 97 11.430 10.783 -3.007 720 HG2 GLU 97 1HG GLU 97 11.157 11.970 -0.808 721 HG3 GLU 97 2HG GLU 97 11.614 10.457 -0.027 722 H VAL 98 H VAL 98 8.331 7.963 -1.922 723 HA VAL 98 HA VAL 98 7.691 6.312 -3.368 724 HB VAL 98 HB VAL 98 7.094 8.551 -5.294 725 HG11 VAL 98 1HG1 VAL 98 5.864 7.056 -6.402 726 HG12 VAL 98 2HG1 VAL 98 6.683 5.823 -5.439 727 HG13 VAL 98 3HG1 VAL 98 5.119 6.454 -4.921 728 HG21 VAL 98 1HG2 VAL 98 6.351 9.115 -2.974 729 HG22 VAL 98 2HG2 VAL 98 5.041 8.985 -4.147 730 HG23 VAL 98 3HG2 VAL 98 5.338 7.672 -3.007 731 H LYS 99 H LYS 99 10.356 6.436 -3.442 732 HA LYS 99 HA LYS 99 11.442 6.915 -6.034 733 HB2 LYS 99 1HB LYS 99 12.647 5.151 -3.906 734 HB3 LYS 99 2HB LYS 99 13.482 6.039 -5.175 735 HG2 LYS 99 1HG LYS 99 12.832 8.151 -4.103 736 HG3 LYS 99 2HG LYS 99 12.047 7.237 -2.813 737 HD2 LYS 99 1HD LYS 99 14.210 6.198 -2.261 738 HD3 LYS 99 2HD LYS 99 14.981 7.161 -3.524 739 HE2 LYS 99 1HE LYS 99 14.158 9.208 -2.327 740 HE3 LYS 99 2HE LYS 99 13.649 8.153 -1.009 741 HZ1 LYS 99 1HZ LYS 99 16.380 8.778 -1.926 742 HZ2 LYS 99 2HZ LYS 99 16.073 7.349 -1.075 743 HZ3 LYS 99 3HZ LYS 99 15.741 8.847 -0.361 744 HA PRO 100 HA PRO 100 9.947 3.143 -7.869 745 HB2 PRO 100 1HB PRO 100 11.162 3.500 -10.270 746 HB3 PRO 100 2HB PRO 100 9.694 4.364 -9.798 747 HG2 PRO 100 1HG PRO 100 12.540 5.291 -9.740 748 HG3 PRO 100 2HG PRO 100 11.090 6.163 -10.271 749 HD2 PRO 100 1HD PRO 100 12.217 6.555 -7.840 750 HD3 PRO 100 2HD PRO 100 10.469 6.697 -8.116 751 H LYS 101 H LYS 101 12.985 3.841 -6.778 752 HA LYS 101 HA LYS 101 14.346 1.594 -8.023 753 HB2 LYS 101 1HB LYS 101 15.224 3.642 -5.985 754 HB3 LYS 101 2HB LYS 101 16.249 2.322 -6.531 755 HG2 LYS 101 1HG LYS 101 16.954 3.998 -7.909 756 HG3 LYS 101 2HG LYS 101 15.685 3.281 -8.905 757 HD2 LYS 101 1HD LYS 101 14.106 4.984 -7.993 758 HD3 LYS 101 2HD LYS 101 15.474 5.746 -7.179 759 HE2 LYS 101 1HE LYS 101 16.569 5.960 -9.425 760 HE3 LYS 101 2HE LYS 101 15.056 5.409 -10.145 761 HZ1 LYS 101 1HZ LYS 101 14.072 7.376 -9.783 762 HZ2 LYS 101 2HZ LYS 101 15.652 7.972 -9.695 763 HZ3 LYS 101 3HZ LYS 101 14.806 7.608 -8.276 764 H MET 102 H MET 102 13.088 2.532 -4.856 765 HA MET 102 HA MET 102 13.691 -0.160 -3.846 766 HB2 MET 102 1HB MET 102 13.304 2.500 -2.556 767 HB3 MET 102 2HB MET 102 12.862 1.065 -1.641 768 HG2 MET 102 1HG MET 102 15.209 0.214 -2.245 769 HG3 MET 102 2HG MET 102 15.549 1.893 -2.656 770 HE1 MET 102 1HE MET 102 17.075 0.094 -0.100 771 HE2 MET 102 2HE MET 102 15.990 0.006 1.288 772 HE3 MET 102 3HE MET 102 15.537 -0.759 -0.236 773 H VAL 103 H VAL 103 11.067 2.223 -4.050 774 HA VAL 103 HA VAL 103 9.010 0.881 -2.850 775 HB VAL 103 HB VAL 103 8.908 2.550 -5.364 776 HG11 VAL 103 1HG1 VAL 103 6.726 1.337 -3.710 777 HG12 VAL 103 2HG1 VAL 103 6.465 2.851 -4.579 778 HG13 VAL 103 3HG1 VAL 103 6.898 1.389 -5.464 779 HG21 VAL 103 1HG2 VAL 103 8.151 3.303 -2.549 780 HG22 VAL 103 2HG2 VAL 103 9.752 3.589 -3.230 781 HG23 VAL 103 3HG2 VAL 103 8.339 4.367 -3.943 782 H MET 104 H MET 104 10.672 -0.003 -5.719 783 HA MET 104 HA MET 104 8.607 -1.621 -6.859 784 HB2 MET 104 1HB MET 104 10.312 -0.781 -8.318 785 HB3 MET 104 2HB MET 104 11.585 -1.485 -7.330 786 HG2 MET 104 1HG MET 104 10.300 -3.719 -7.917 787 HG3 MET 104 2HG MET 104 9.782 -2.763 -9.304 788 HE1 MET 104 1HE MET 104 12.556 -4.425 -7.363 789 HE2 MET 104 2HE MET 104 12.148 -5.494 -8.706 790 HE3 MET 104 3HE MET 104 13.753 -4.768 -8.612 791 H THR 105 H THR 105 11.497 -2.280 -4.908 792 HA THR 105 HA THR 105 10.987 -5.103 -4.791 793 HB THR 105 HB THR 105 13.273 -4.434 -4.630 794 HG1 THR 105 1HG THR 105 13.696 -5.205 -2.344 795 HG21 THR 105 1HG2 THR 105 13.211 -2.214 -3.860 796 HG22 THR 105 2HG2 THR 105 14.007 -3.107 -2.564 797 HG23 THR 105 3HG2 THR 105 12.310 -2.651 -2.409 798 H VAL 106 H VAL 106 10.196 -2.317 -2.854 799 HA VAL 106 HA VAL 106 9.624 -3.512 -0.406 800 HB VAL 106 HB VAL 106 8.381 -1.126 -1.764 801 HG11 VAL 106 1HG1 VAL 106 7.779 -0.752 0.837 802 HG12 VAL 106 2HG1 VAL 106 6.663 -1.451 -0.338 803 HG13 VAL 106 3HG1 VAL 106 7.602 -2.503 0.721 804 HG21 VAL 106 1HG2 VAL 106 10.552 -1.562 0.242 805 HG22 VAL 106 2HG2 VAL 106 10.551 -0.556 -1.206 806 HG23 VAL 106 3HG2 VAL 106 9.660 -0.041 0.226 807 H PHE 107 H PHE 107 7.603 -3.162 -3.289 808 HA PHE 107 HA PHE 107 5.299 -4.351 -2.071 809 HB2 PHE 107 1HB PHE 107 6.029 -3.487 -4.844 810 HB3 PHE 107 2HB PHE 107 4.620 -4.514 -4.601 811 HD1 PHE 107 1HD PHE 107 3.217 -3.614 -2.390 812 HD2 PHE 107 2HD PHE 107 5.508 -1.281 -5.114 813 HE1 PHE 107 1HE PHE 107 1.871 -1.634 -1.821 814 HE2 PHE 107 2HE PHE 107 4.167 0.703 -4.549 815 HZ PHE 107 HZ PHE 107 2.347 0.528 -2.900 816 H ALA 108 H ALA 108 7.664 -5.445 -4.494 817 HA ALA 108 HA ALA 108 6.706 -7.975 -4.993 818 HB1 ALA 108 1HB ALA 108 9.555 -7.014 -4.828 819 HB2 ALA 108 2HB ALA 108 9.087 -8.596 -5.454 820 HB3 ALA 108 3HB ALA 108 8.536 -7.129 -6.263 821 H CYS 109 H CYS 109 9.170 -7.150 -2.544 822 HA CYS 109 HA CYS 109 9.603 -9.540 -1.364 823 HB2 CYS 109 1HB CYS 109 9.237 -6.853 -0.036 824 HB3 CYS 109 2HB CYS 109 9.826 -8.273 0.821 825 HG CYS 109 HG CYS 109 11.578 -6.096 -0.729 826 H LEU 110 H LEU 110 6.893 -7.376 -0.560 827 HA LEU 110 HA LEU 110 5.689 -8.930 1.394 828 HB2 LEU 110 1HB LEU 110 4.390 -7.147 -0.660 829 HB3 LEU 110 2HB LEU 110 3.593 -7.768 0.784 830 HG LEU 110 HG LEU 110 6.011 -5.967 0.843 831 HD11 LEU 110 1HD1 LEU 110 3.993 -4.919 -0.213 832 HD12 LEU 110 2HD1 LEU 110 4.561 -4.131 1.259 833 HD13 LEU 110 3HD1 LEU 110 3.144 -5.179 1.311 834 HD21 LEU 110 1HD2 LEU 110 4.386 -7.360 2.850 835 HD22 LEU 110 2HD2 LEU 110 4.674 -5.653 3.186 836 HD23 LEU 110 3HD2 LEU 110 6.037 -6.748 2.948 837 H MET 111 H MET 111 5.079 -8.937 -2.113 838 HA MET 111 HA MET 111 3.073 -10.798 -2.268 839 HB2 MET 111 1HB MET 111 3.998 -9.559 -4.198 840 HB3 MET 111 2HB MET 111 5.432 -10.575 -4.147 841 HG2 MET 111 1HG MET 111 3.865 -12.544 -4.468 842 HG3 MET 111 2HG MET 111 2.626 -11.354 -4.859 843 HE1 MET 111 1HE MET 111 4.449 -9.110 -6.644 844 HE2 MET 111 2HE MET 111 3.737 -9.773 -8.114 845 HE3 MET 111 3HE MET 111 2.771 -9.654 -6.642 846 H GLY 112 H GLY 112 6.574 -11.463 -2.232 847 HA2 GLY 112 1HA GLY 112 6.589 -14.187 -2.492 848 HA3 GLY 112 2HA GLY 112 7.721 -13.310 -1.473 849 H ARG 113 H ARG 113 6.016 -12.369 0.503 850 HA ARG 113 HA ARG 113 5.738 -14.719 2.105 851 HB2 ARG 113 1HB ARG 113 5.221 -11.795 2.534 852 HB3 ARG 113 2HB ARG 113 4.659 -12.974 3.712 853 HG2 ARG 113 1HG ARG 113 7.508 -12.997 2.818 854 HG3 ARG 113 2HG ARG 113 6.962 -11.835 4.029 855 HD2 ARG 113 1HD ARG 113 7.758 -13.687 5.245 856 HD3 ARG 113 2HD ARG 113 6.000 -13.814 5.287 857 HE ARG 113 HE ARG 113 6.153 -15.771 4.114 858 HH11 ARG 113 2HH1 ARG 113 9.165 -14.047 3.841 859 HH12 ARG 113 1HH1 ARG 113 9.988 -15.347 3.045 860 HH21 ARG 113 2HH2 ARG 113 7.225 -17.490 3.067 861 HH22 ARG 113 1HH2 ARG 113 8.883 -17.305 2.604 862 H GLY 114 H GLY 114 3.354 -12.228 1.162 863 HA2 GLY 114 1HA GLY 114 1.044 -13.325 2.043 864 HA3 GLY 114 2HA GLY 114 1.150 -12.481 0.505 865 H MET 115 H MET 115 2.150 -13.935 -1.293 866 HA MET 115 HA MET 115 0.354 -16.026 -1.777 867 HB2 MET 115 1HB MET 115 3.028 -15.418 -3.046 868 HB3 MET 115 2HB MET 115 1.893 -16.611 -3.664 869 HG2 MET 115 1HG MET 115 0.924 -13.839 -3.228 870 HG3 MET 115 2HG MET 115 1.977 -14.157 -4.605 871 HE1 MET 115 1HE MET 115 0.235 -16.103 -7.025 872 HE2 MET 115 2HE MET 115 1.734 -15.986 -6.103 873 HE3 MET 115 3HE MET 115 0.594 -17.291 -5.772 874 H LYS 116 H LYS 116 0.265 -17.997 -0.945 875 HA LYS 116 HA LYS 116 2.492 -19.069 0.550 876 HB2 LYS 116 1HB LYS 116 0.072 -19.253 1.256 877 HB3 LYS 116 2HB LYS 116 -0.147 -20.409 -0.051 878 HG2 LYS 116 1HG LYS 116 0.184 -21.707 1.863 879 HG3 LYS 116 2HG LYS 116 1.734 -21.741 1.019 880 HD2 LYS 116 1HD LYS 116 2.695 -20.191 2.529 881 HD3 LYS 116 2HD LYS 116 1.122 -19.776 3.216 882 HE2 LYS 116 1HE LYS 116 0.931 -22.042 4.127 883 HE3 LYS 116 2HE LYS 116 2.504 -22.449 3.443 884 HZ1 LYS 116 1HZ LYS 116 2.658 -20.095 5.024 885 HZ2 LYS 116 2HZ LYS 116 3.519 -21.543 5.177 886 HZ3 LYS 116 3HZ LYS 116 2.011 -21.372 5.926 887 H ARG 117 H ARG 117 3.715 -20.849 0.051 888 HA ARG 117 HA ARG 117 4.873 -22.262 -1.309 889 HB2 ARG 117 1HB ARG 117 2.195 -22.859 -2.565 890 HB3 ARG 117 2HB ARG 117 3.591 -23.923 -2.456 891 HG2 ARG 117 1HG ARG 117 3.229 -23.585 0.128 892 HG3 ARG 117 2HG ARG 117 1.585 -23.204 -0.387 893 HD2 ARG 117 1HD ARG 117 1.463 -25.483 -0.035 894 HD3 ARG 117 2HD ARG 117 1.789 -25.396 -1.765 895 HE ARG 117 HE ARG 117 3.742 -26.499 -1.380 896 HH11 ARG 117 2HH1 ARG 117 2.742 -24.966 1.582 897 HH12 ARG 117 1HH1 ARG 117 4.029 -25.646 2.521 898 HH21 ARG 117 2HH2 ARG 117 5.441 -27.401 -0.154 899 HH22 ARG 117 1HH2 ARG 117 5.564 -27.030 1.533 900 H VAL 118 H VAL 118 4.489 -19.506 -2.217 901 HA VAL 118 HA VAL 118 3.964 -19.351 -4.967 902 HB VAL 118 HB VAL 118 4.134 -17.388 -3.447 903 HG11 VAL 118 1HG1 VAL 118 6.567 -18.451 -2.748 904 HG12 VAL 118 2HG1 VAL 118 7.015 -17.086 -3.772 905 HG13 VAL 118 3HG1 VAL 118 6.001 -16.829 -2.352 906 HG21 VAL 118 1HG2 VAL 118 5.938 -17.263 -5.861 907 HG22 VAL 118 2HG2 VAL 118 4.180 -17.135 -5.890 908 HG23 VAL 118 3HG2 VAL 118 5.140 -15.896 -5.083 909 H SER 119 H SER 119 5.206 -19.583 -6.768 910 HA SER 119 HA SER 119 7.246 -21.421 -6.861 911 HB2 SER 119 1HB SER 119 5.948 -20.568 -8.825 912 HB3 SER 119 2HB SER 119 6.931 -19.105 -8.784 913 HG SER 119 HG SER 119 7.969 -21.732 -9.064 914 H GLY 120 H GLY 120 9.051 -21.309 -5.672 915 HA2 GLY 120 1HA GLY 120 11.203 -19.714 -6.302 916 HA3 GLY 120 2HA GLY 120 10.354 -18.846 -5.032 917 HA PRO 121 HA PRO 121 13.194 -22.345 -3.419 918 HB2 PRO 121 1HB PRO 121 15.385 -20.879 -2.770 919 HB3 PRO 121 2HB PRO 121 15.185 -21.663 -4.341 920 HG2 PRO 121 1HG PRO 121 14.712 -18.808 -3.576 921 HG3 PRO 121 2HG PRO 121 15.499 -19.463 -5.024 922 HD2 PRO 121 1HD PRO 121 12.938 -18.585 -5.029 923 HD3 PRO 121 2HD PRO 121 13.492 -19.917 -6.062 924 H SER 122 H SER 122 13.630 -22.677 -1.209 925 HA SER 122 HA SER 122 12.055 -21.097 0.567 926 HB2 SER 122 1HB SER 122 12.612 -23.643 0.664 927 HB3 SER 122 2HB SER 122 14.068 -23.118 1.510 928 HG SER 122 HG SER 122 12.586 -23.423 3.085 929 H SER 123 H SER 123 12.719 -19.830 2.311 930 HA SER 123 HA SER 123 15.246 -18.473 1.893 931 HB2 SER 123 1HB SER 123 13.211 -17.158 2.332 932 HB3 SER 123 2HB SER 123 13.047 -17.937 3.905 933 HG SER 123 HG SER 123 15.457 -16.657 3.281 934 H GLY 124 H GLY 124 13.632 -20.234 4.529 935 HA2 GLY 124 1HA GLY 124 16.260 -20.472 5.854 936 HA3 GLY 124 2HA GLY 124 14.716 -20.517 6.693 Start of MODEL 8 1 H1 GLY 1 H GLY 1 23.092 -16.658 -14.395 2 HA2 GLY 1 1HA GLY 1 25.346 -18.228 -14.392 3 HA3 GLY 1 2HA GLY 1 25.690 -16.953 -13.233 4 H SER 2 H SER 2 24.173 -16.680 -11.438 5 HA SER 2 HA SER 2 22.964 -19.258 -10.682 6 HB2 SER 2 1HB SER 2 24.781 -18.815 -9.204 7 HB3 SER 2 2HB SER 2 24.296 -17.132 -9.000 8 HG SER 2 HG SER 2 22.595 -17.765 -7.764 9 H SER 3 H SER 3 20.892 -19.318 -9.970 10 HA SER 3 HA SER 3 19.022 -17.498 -10.763 11 HB2 SER 3 1HB SER 3 18.432 -19.738 -9.978 12 HB3 SER 3 2HB SER 3 18.869 -19.293 -8.329 13 HG SER 3 HG SER 3 17.198 -17.489 -8.903 14 H GLY 4 H GLY 4 17.918 -15.769 -9.857 15 HA2 GLY 4 1HA GLY 4 17.814 -14.730 -7.395 16 HA3 GLY 4 2HA GLY 4 19.440 -14.273 -7.882 17 H SER 5 H SER 5 18.928 -13.768 -10.612 18 HA SER 5 HA SER 5 18.177 -11.090 -10.542 19 HB2 SER 5 1HB SER 5 19.522 -12.039 -12.357 20 HB3 SER 5 2HB SER 5 18.139 -12.987 -12.903 21 HG SER 5 HG SER 5 18.421 -11.029 -14.090 22 H SER 6 H SER 6 16.355 -10.079 -11.741 23 HA SER 6 HA SER 6 13.918 -11.636 -11.941 24 HB2 SER 6 1HB SER 6 12.670 -10.065 -10.432 25 HB3 SER 6 2HB SER 6 13.839 -11.086 -9.594 26 HG SER 6 HG SER 6 15.269 -9.096 -10.080 27 H GLY 7 H GLY 7 12.030 -10.048 -12.508 28 HA2 GLY 7 1HA GLY 7 12.665 -7.572 -13.741 29 HA3 GLY 7 2HA GLY 7 12.609 -8.849 -14.947 30 H ASN 8 H ASN 8 10.714 -7.388 -12.324 31 HA ASN 8 HA ASN 8 8.302 -7.864 -13.938 32 HB2 ASN 8 1HB ASN 8 8.515 -8.193 -10.936 33 HB3 ASN 8 2HB ASN 8 7.036 -8.342 -11.881 34 HD21 ASN 8 1HD2 ASN 8 7.328 -9.924 -13.800 35 HD22 ASN 8 2HD2 ASN 8 8.050 -11.439 -13.390 36 H ASP 9 H ASP 9 7.131 -6.093 -14.286 37 HA ASP 9 HA ASP 9 7.622 -3.747 -12.570 38 HB2 ASP 9 1HB ASP 9 6.679 -3.662 -15.437 39 HB3 ASP 9 2HB ASP 9 7.277 -2.326 -14.457 40 H ASP 10 H ASP 10 5.137 -5.018 -14.796 41 HA ASP 10 HA ASP 10 3.044 -3.660 -13.349 42 HB2 ASP 10 1HB ASP 10 1.567 -4.953 -14.997 43 HB3 ASP 10 2HB ASP 10 2.678 -3.765 -15.674 44 H ILE 11 H ILE 11 3.970 -7.043 -13.927 45 HA ILE 11 HA ILE 11 2.085 -8.510 -12.753 46 HB ILE 11 HB ILE 11 5.033 -8.776 -12.158 47 HG12 ILE 11 1HG1 ILE 11 4.529 -10.721 -13.917 48 HG13 ILE 11 2HG1 ILE 11 3.261 -9.601 -14.405 49 HG21 ILE 11 1HG2 ILE 11 2.930 -10.090 -10.912 50 HG22 ILE 11 2HG2 ILE 11 3.500 -11.227 -12.133 51 HG23 ILE 11 3HG2 ILE 11 4.621 -10.587 -10.932 52 HD11 ILE 11 1HD1 ILE 11 5.799 -8.262 -14.076 53 HD12 ILE 11 2HD1 ILE 11 5.894 -9.588 -15.235 54 HD13 ILE 11 3HD1 ILE 11 4.709 -8.302 -15.462 55 H ILE 12 H ILE 12 4.560 -6.753 -10.894 56 HA ILE 12 HA ILE 12 3.621 -7.469 -8.346 57 HB ILE 12 HB ILE 12 5.124 -4.986 -9.179 58 HG12 ILE 12 1HG1 ILE 12 6.198 -7.507 -7.910 59 HG13 ILE 12 2HG1 ILE 12 6.179 -7.244 -9.651 60 HG21 ILE 12 1HG2 ILE 12 5.841 -5.412 -6.616 61 HG22 ILE 12 2HG2 ILE 12 4.546 -4.321 -7.106 62 HG23 ILE 12 3HG2 ILE 12 4.165 -5.957 -6.571 63 HD11 ILE 12 1HD1 ILE 12 7.360 -4.981 -8.394 64 HD12 ILE 12 2HD1 ILE 12 8.127 -6.448 -7.786 65 HD13 ILE 12 3HD1 ILE 12 8.079 -6.132 -9.520 66 H VAL 13 H VAL 13 3.147 -4.417 -10.134 67 HA VAL 13 HA VAL 13 1.466 -3.114 -8.406 68 HB VAL 13 HB VAL 13 1.270 -3.134 -11.421 69 HG11 VAL 13 1HG1 VAL 13 0.526 -0.667 -10.130 70 HG12 VAL 13 2HG1 VAL 13 -0.375 -1.644 -11.291 71 HG13 VAL 13 3HG1 VAL 13 -0.479 -2.001 -9.567 72 HG21 VAL 13 1HG2 VAL 13 2.571 -0.969 -11.128 73 HG22 VAL 13 2HG2 VAL 13 2.900 -1.513 -9.483 74 HG23 VAL 13 3HG2 VAL 13 3.458 -2.469 -10.856 75 H ASN 14 H ASN 14 0.577 -5.520 -10.856 76 HA ASN 14 HA ASN 14 -2.201 -5.385 -10.521 77 HB2 ASN 14 1HB ASN 14 -0.315 -7.459 -11.571 78 HB3 ASN 14 2HB ASN 14 -2.005 -7.885 -11.321 79 HD21 ASN 14 1HD2 ASN 14 -0.487 -7.700 -13.791 80 HD22 ASN 14 2HD2 ASN 14 -1.314 -6.550 -14.780 81 H TRP 15 H TRP 15 0.244 -7.351 -8.886 82 HA TRP 15 HA TRP 15 -1.504 -8.944 -7.377 83 HB2 TRP 15 1HB TRP 15 0.942 -9.360 -7.677 84 HB3 TRP 15 2HB TRP 15 1.263 -8.026 -6.572 85 HD1 TRP 15 HD TRP 15 -0.032 -11.625 -6.626 86 HE1 TRP 15 1HE TRP 15 -0.026 -12.538 -4.220 87 HE3 TRP 15 3HE TRP 15 1.112 -7.315 -4.126 88 HZ2 TRP 15 2HZ TRP 15 0.407 -11.561 -1.607 89 HZ3 TRP 15 3HZ TRP 15 1.303 -7.390 -1.674 90 HH2 TRP 15 HH TRP 15 0.957 -9.469 -0.443 91 H VAL 16 H VAL 16 0.240 -5.982 -6.428 92 HA VAL 16 HA VAL 16 -0.586 -5.620 -3.878 93 HB VAL 16 HB VAL 16 -0.522 -3.445 -5.975 94 HG11 VAL 16 1HG1 VAL 16 0.287 -2.599 -3.369 95 HG12 VAL 16 2HG1 VAL 16 -1.037 -2.000 -4.370 96 HG13 VAL 16 3HG1 VAL 16 -1.305 -3.350 -3.268 97 HG21 VAL 16 1HG2 VAL 16 1.609 -4.277 -6.085 98 HG22 VAL 16 2HG2 VAL 16 1.793 -3.132 -4.757 99 HG23 VAL 16 3HG2 VAL 16 1.591 -4.851 -4.417 100 H ASN 17 H ASN 17 -2.433 -4.543 -6.732 101 HA ASN 17 HA ASN 17 -4.671 -3.608 -5.324 102 HB2 ASN 17 1HB ASN 17 -4.106 -4.381 -8.142 103 HB3 ASN 17 2HB ASN 17 -5.796 -4.262 -7.662 104 HD21 ASN 17 1HD2 ASN 17 -2.803 -2.536 -8.079 105 HD22 ASN 17 2HD2 ASN 17 -3.484 -0.949 -8.050 106 H ARG 18 H ARG 18 -3.982 -6.778 -6.754 107 HA ARG 18 HA ARG 18 -6.425 -8.013 -6.342 108 HB2 ARG 18 1HB ARG 18 -4.604 -9.045 -7.608 109 HB3 ARG 18 2HB ARG 18 -3.664 -9.226 -6.132 110 HG2 ARG 18 1HG ARG 18 -5.199 -10.829 -5.262 111 HG3 ARG 18 2HG ARG 18 -6.341 -10.524 -6.572 112 HD2 ARG 18 1HD ARG 18 -5.003 -11.596 -8.151 113 HD3 ARG 18 2HD ARG 18 -3.558 -11.470 -7.148 114 HE ARG 18 HE ARG 18 -5.530 -13.546 -7.079 115 HH11 ARG 18 2HH1 ARG 18 -3.154 -11.827 -5.203 116 HH12 ARG 18 1HH1 ARG 18 -2.909 -13.126 -4.083 117 HH21 ARG 18 2HH2 ARG 18 -5.217 -15.263 -5.611 118 HH22 ARG 18 1HH2 ARG 18 -4.082 -15.080 -4.316 119 H THR 19 H THR 19 -3.591 -8.215 -4.181 120 HA THR 19 HA THR 19 -4.812 -9.544 -2.080 121 HB THR 19 HB THR 19 -2.647 -7.447 -1.835 122 HG1 THR 19 1HG THR 19 -1.744 -8.920 -3.134 123 HG21 THR 19 1HG2 THR 19 -2.956 -7.849 0.357 124 HG22 THR 19 2HG2 THR 19 -2.147 -9.381 0.030 125 HG23 THR 19 3HG2 THR 19 -3.908 -9.301 0.053 126 H LEU 20 H LEU 20 -4.657 -6.069 -2.735 127 HA LEU 20 HA LEU 20 -5.815 -5.171 -0.347 128 HB2 LEU 20 1HB LEU 20 -5.826 -4.005 -3.122 129 HB3 LEU 20 2HB LEU 20 -6.466 -3.161 -1.713 130 HG LEU 20 HG LEU 20 -3.614 -4.105 -1.853 131 HD11 LEU 20 1HD1 LEU 20 -4.314 -1.272 -2.402 132 HD12 LEU 20 2HD1 LEU 20 -4.482 -2.440 -3.712 133 HD13 LEU 20 3HD1 LEU 20 -2.920 -2.219 -2.924 134 HD21 LEU 20 1HD2 LEU 20 -3.276 -2.415 -0.144 135 HD22 LEU 20 2HD2 LEU 20 -4.535 -3.546 0.354 136 HD23 LEU 20 3HD2 LEU 20 -4.973 -1.945 -0.244 137 H SER 21 H SER 21 -7.303 -6.011 -3.460 138 HA SER 21 HA SER 21 -9.955 -5.407 -2.669 139 HB2 SER 21 1HB SER 21 -8.674 -6.828 -4.949 140 HB3 SER 21 2HB SER 21 -10.382 -7.154 -4.651 141 HG SER 21 HG SER 21 -9.153 -4.874 -5.590 142 H GLU 22 H GLU 22 -8.117 -8.440 -2.795 143 HA GLU 22 HA GLU 22 -9.886 -10.361 -2.239 144 HB2 GLU 22 1HB GLU 22 -7.156 -9.854 -1.146 145 HB3 GLU 22 2HB GLU 22 -8.093 -11.178 -0.469 146 HG2 GLU 22 1HG GLU 22 -8.412 -11.946 -2.885 147 HG3 GLU 22 2HG GLU 22 -7.108 -10.826 -3.275 148 H ALA 23 H ALA 23 -8.630 -8.113 0.211 149 HA ALA 23 HA ALA 23 -10.497 -9.128 2.192 150 HB1 ALA 23 1HB ALA 23 -8.583 -6.817 2.459 151 HB2 ALA 23 2HB ALA 23 -9.379 -7.710 3.756 152 HB3 ALA 23 3HB ALA 23 -8.149 -8.498 2.767 153 H GLY 24 H GLY 24 -9.893 -6.101 0.429 154 HA2 GLY 24 1HA GLY 24 -11.950 -4.990 -0.416 155 HA3 GLY 24 2HA GLY 24 -12.620 -5.247 1.188 156 H LYS 25 H LYS 25 -9.450 -4.042 0.113 157 HA LYS 25 HA LYS 25 -9.663 -1.848 2.005 158 HB2 LYS 25 1HB LYS 25 -7.418 -2.650 0.143 159 HB3 LYS 25 2HB LYS 25 -7.325 -1.370 1.345 160 HG2 LYS 25 1HG LYS 25 -7.894 -4.247 2.013 161 HG3 LYS 25 2HG LYS 25 -6.281 -3.531 2.024 162 HD2 LYS 25 1HD LYS 25 -6.743 -2.196 3.854 163 HD3 LYS 25 2HD LYS 25 -8.485 -2.237 3.574 164 HE2 LYS 25 1HE LYS 25 -6.973 -4.718 4.314 165 HE3 LYS 25 2HE LYS 25 -7.512 -3.582 5.549 166 HZ1 LYS 25 1HZ LYS 25 -9.169 -5.162 3.674 167 HZ2 LYS 25 2HZ LYS 25 -9.788 -3.829 4.512 168 HZ3 LYS 25 3HZ LYS 25 -9.206 -5.168 5.366 169 H SER 26 H SER 26 -9.815 0.294 1.499 170 HA SER 26 HA SER 26 -10.682 0.903 -1.217 171 HB2 SER 26 1HB SER 26 -10.746 2.582 1.302 172 HB3 SER 26 2HB SER 26 -11.428 3.058 -0.253 173 HG SER 26 HG SER 26 -12.229 0.599 0.761 174 H THR 27 H THR 27 -7.961 0.359 -1.006 175 HA THR 27 HA THR 27 -6.855 2.945 -1.811 176 HB THR 27 HB THR 27 -4.748 2.520 -0.598 177 HG1 THR 27 1HG THR 27 -5.568 0.116 -0.362 178 HG21 THR 27 1HG2 THR 27 -7.031 3.602 0.398 179 HG22 THR 27 2HG2 THR 27 -5.481 3.607 1.239 180 HG23 THR 27 3HG2 THR 27 -6.685 2.373 1.613 181 H SER 28 H SER 28 -5.019 2.791 -3.199 182 HA SER 28 HA SER 28 -3.884 0.348 -4.036 183 HB2 SER 28 1HB SER 28 -4.893 0.343 -6.365 184 HB3 SER 28 2HB SER 28 -5.970 -0.181 -5.070 185 HG SER 28 HG SER 28 -6.939 1.851 -5.108 186 H ILE 29 H ILE 29 -2.290 0.621 -5.666 187 HA ILE 29 HA ILE 29 -1.594 3.444 -6.139 188 HB ILE 29 HB ILE 29 0.746 2.616 -6.436 189 HG12 ILE 29 1HG1 ILE 29 -0.255 0.067 -5.166 190 HG13 ILE 29 2HG1 ILE 29 -0.010 0.231 -6.901 191 HG21 ILE 29 1HG2 ILE 29 0.825 3.430 -4.367 192 HG22 ILE 29 2HG2 ILE 29 -0.785 2.818 -3.992 193 HG23 ILE 29 3HG2 ILE 29 0.623 1.774 -3.795 194 HD11 ILE 29 1HD1 ILE 29 2.101 0.539 -4.779 195 HD12 ILE 29 2HD1 ILE 29 1.886 -0.846 -5.850 196 HD13 ILE 29 3HD1 ILE 29 2.351 0.719 -6.515 197 H GLN 30 H GLN 30 -0.520 3.958 -8.157 198 HA GLN 30 HA GLN 30 -1.675 2.454 -10.371 199 HB2 GLN 30 1HB GLN 30 -0.248 5.118 -10.317 200 HB3 GLN 30 2HB GLN 30 -0.974 4.392 -11.744 201 HG2 GLN 30 1HG GLN 30 -2.402 5.305 -9.259 202 HG3 GLN 30 2HG GLN 30 -2.445 6.064 -10.849 203 HE21 GLN 30 1HE2 GLN 30 -3.509 4.967 -12.560 204 HE22 GLN 30 2HE2 GLN 30 -4.746 3.807 -12.229 205 H SER 31 H SER 31 1.471 3.480 -9.144 206 HA SER 31 HA SER 31 2.818 1.254 -10.231 207 HB2 SER 31 1HB SER 31 2.343 2.894 -12.254 208 HB3 SER 31 2HB SER 31 3.747 3.741 -11.606 209 HG SER 31 HG SER 31 5.000 2.001 -12.005 210 H PHE 32 H PHE 32 5.252 1.520 -10.030 211 HA PHE 32 HA PHE 32 5.898 2.341 -7.444 212 HB2 PHE 32 1HB PHE 32 7.928 2.141 -9.660 213 HB3 PHE 32 2HB PHE 32 8.136 1.772 -7.952 214 HD1 PHE 32 1HD PHE 32 6.387 -0.104 -7.106 215 HD2 PHE 32 2HD PHE 32 7.841 0.353 -11.080 216 HE1 PHE 32 1HE PHE 32 5.889 -2.471 -7.557 217 HE2 PHE 32 2HE PHE 32 7.346 -2.013 -11.537 218 HZ PHE 32 HZ PHE 32 6.368 -3.428 -9.775 219 H LYS 33 H LYS 33 5.472 4.195 -10.241 220 HA LYS 33 HA LYS 33 6.979 6.444 -9.079 221 HB2 LYS 33 1HB LYS 33 6.314 5.715 -11.915 222 HB3 LYS 33 2HB LYS 33 6.670 7.383 -11.486 223 HG2 LYS 33 1HG LYS 33 8.817 6.445 -10.440 224 HG3 LYS 33 2HG LYS 33 8.467 4.990 -11.377 225 HD2 LYS 33 1HD LYS 33 9.895 6.264 -12.741 226 HD3 LYS 33 2HD LYS 33 8.279 6.537 -13.396 227 HE2 LYS 33 1HE LYS 33 9.372 8.648 -13.310 228 HE3 LYS 33 2HE LYS 33 8.175 8.626 -12.015 229 HZ1 LYS 33 1HZ LYS 33 10.633 9.421 -11.608 230 HZ2 LYS 33 2HZ LYS 33 10.895 7.767 -11.372 231 HZ3 LYS 33 3HZ LYS 33 9.768 8.588 -10.415 232 H ASP 34 H ASP 34 4.380 5.689 -8.172 233 HA ASP 34 HA ASP 34 2.634 7.763 -9.289 234 HB2 ASP 34 1HB ASP 34 1.805 5.391 -8.998 235 HB3 ASP 34 2HB ASP 34 1.904 5.650 -7.258 236 H LYS 35 H LYS 35 1.480 9.193 -7.862 237 HA LYS 35 HA LYS 35 3.151 10.071 -5.647 238 HB2 LYS 35 1HB LYS 35 0.689 11.351 -6.849 239 HB3 LYS 35 2HB LYS 35 1.763 12.089 -5.667 240 HG2 LYS 35 1HG LYS 35 2.774 11.167 -8.333 241 HG3 LYS 35 2HG LYS 35 2.029 12.753 -8.121 242 HD2 LYS 35 1HD LYS 35 4.298 11.808 -6.389 243 HD3 LYS 35 2HD LYS 35 4.572 12.619 -7.933 244 HE2 LYS 35 1HE LYS 35 2.718 13.885 -5.981 245 HE3 LYS 35 2HE LYS 35 4.448 13.959 -5.654 246 HZ1 LYS 35 1HZ LYS 35 4.771 14.956 -7.840 247 HZ2 LYS 35 2HZ LYS 35 3.726 15.889 -6.892 248 HZ3 LYS 35 3HZ LYS 35 3.103 14.912 -8.125 249 H THR 36 H THR 36 1.450 7.639 -5.488 250 HA THR 36 HA THR 36 -0.428 8.440 -3.375 251 HB THR 36 HB THR 36 -1.486 6.273 -3.640 252 HG1 THR 36 1HG THR 36 0.116 5.628 -5.851 253 HG21 THR 36 1HG2 THR 36 -2.093 6.447 -6.124 254 HG22 THR 36 2HG2 THR 36 -0.997 7.828 -6.166 255 HG23 THR 36 3HG2 THR 36 -2.410 7.854 -5.111 256 H ILE 37 H ILE 37 2.225 6.210 -4.085 257 HA ILE 37 HA ILE 37 2.332 4.777 -1.731 258 HB ILE 37 HB ILE 37 4.712 5.779 -3.299 259 HG12 ILE 37 1HG1 ILE 37 3.536 3.049 -3.617 260 HG13 ILE 37 2HG1 ILE 37 2.755 4.403 -4.426 261 HG21 ILE 37 1HG2 ILE 37 4.542 4.279 -0.903 262 HG22 ILE 37 2HG2 ILE 37 5.080 3.191 -2.181 263 HG23 ILE 37 3HG2 ILE 37 5.976 4.674 -1.850 264 HD11 ILE 37 1HD1 ILE 37 5.502 4.630 -4.963 265 HD12 ILE 37 2HD1 ILE 37 5.072 2.936 -5.198 266 HD13 ILE 37 3HD1 ILE 37 4.205 4.196 -6.076 267 H SER 38 H SER 38 3.405 8.054 -2.370 268 HA SER 38 HA SER 38 5.027 8.537 -0.186 269 HB2 SER 38 1HB SER 38 4.421 10.900 -0.431 270 HB3 SER 38 2HB SER 38 4.666 10.156 -2.011 271 HG SER 38 HG SER 38 2.215 9.795 -1.752 272 H SER 39 H SER 39 1.501 8.576 -0.384 273 HA SER 39 HA SER 39 1.088 9.520 2.269 274 HB2 SER 39 1HB SER 39 -1.218 9.125 1.892 275 HB3 SER 39 2HB SER 39 -0.569 9.585 0.318 276 HG SER 39 HG SER 39 -0.623 7.468 -0.317 277 H SER 40 H SER 40 1.695 6.411 0.871 278 HA SER 40 HA SER 40 2.021 4.349 1.775 279 HB2 SER 40 1HB SER 40 2.053 5.737 4.461 280 HB3 SER 40 2HB SER 40 2.790 4.190 4.048 281 HG SER 40 HG SER 40 3.705 6.749 3.626 282 H LEU 41 H LEU 41 -0.686 5.530 1.500 283 HA LEU 41 HA LEU 41 -2.224 4.392 3.667 284 HB2 LEU 41 1HB LEU 41 -3.097 5.612 1.052 285 HB3 LEU 41 2HB LEU 41 -4.173 5.143 2.367 286 HG LEU 41 HG LEU 41 -2.028 7.241 2.646 287 HD11 LEU 41 1HD1 LEU 41 -4.426 8.557 2.675 288 HD12 LEU 41 2HD1 LEU 41 -4.658 7.374 1.388 289 HD13 LEU 41 3HD1 LEU 41 -3.304 8.502 1.315 290 HD21 LEU 41 1HD2 LEU 41 -3.616 5.878 4.513 291 HD22 LEU 41 2HD2 LEU 41 -4.316 7.490 4.360 292 HD23 LEU 41 3HD2 LEU 41 -2.614 7.304 4.785 293 H ALA 42 H ALA 42 -1.402 3.600 0.345 294 HA ALA 42 HA ALA 42 -3.210 1.395 0.136 295 HB1 ALA 42 1HB ALA 42 -0.864 2.301 -1.508 296 HB2 ALA 42 2HB ALA 42 -1.762 0.827 -1.875 297 HB3 ALA 42 3HB ALA 42 -2.581 2.388 -1.901 298 H VAL 43 H VAL 43 0.236 1.738 0.875 299 HA VAL 43 HA VAL 43 0.931 -0.963 0.926 300 HB VAL 43 HB VAL 43 2.042 1.263 2.640 301 HG11 VAL 43 1HG1 VAL 43 3.294 -1.374 1.882 302 HG12 VAL 43 2HG1 VAL 43 4.006 -0.118 2.897 303 HG13 VAL 43 3HG1 VAL 43 2.588 -1.007 3.455 304 HG21 VAL 43 1HG2 VAL 43 3.883 0.887 0.730 305 HG22 VAL 43 2HG2 VAL 43 2.432 0.470 -0.181 306 HG23 VAL 43 3HG2 VAL 43 2.568 2.053 0.583 307 H VAL 44 H VAL 44 0.157 1.104 3.733 308 HA VAL 44 HA VAL 44 0.138 -0.796 5.706 309 HB VAL 44 HB VAL 44 -1.784 1.522 5.451 310 HG11 VAL 44 1HG1 VAL 44 -0.891 0.457 8.076 311 HG12 VAL 44 2HG1 VAL 44 -2.411 1.232 7.624 312 HG13 VAL 44 3HG1 VAL 44 -2.115 -0.452 7.189 313 HG21 VAL 44 1HG2 VAL 44 0.772 1.907 5.367 314 HG22 VAL 44 2HG2 VAL 44 -0.199 2.878 6.473 315 HG23 VAL 44 3HG2 VAL 44 0.726 1.506 7.084 316 H ASP 45 H ASP 45 -2.474 -0.005 3.455 317 HA ASP 45 HA ASP 45 -4.421 -1.699 4.602 318 HB2 ASP 45 1HB ASP 45 -4.087 -0.297 1.994 319 HB3 ASP 45 2HB ASP 45 -5.277 -1.593 2.081 320 H LEU 46 H LEU 46 -2.009 -2.202 2.068 321 HA LEU 46 HA LEU 46 -2.789 -4.665 1.102 322 HB2 LEU 46 1HB LEU 46 -0.985 -3.440 0.100 323 HB3 LEU 46 2HB LEU 46 -0.019 -3.577 1.567 324 HG LEU 46 HG LEU 46 -0.202 -6.147 1.086 325 HD11 LEU 46 1HD1 LEU 46 -1.019 -6.792 -0.873 326 HD12 LEU 46 2HD1 LEU 46 -0.028 -5.620 -1.741 327 HD13 LEU 46 3HD1 LEU 46 -1.602 -5.144 -1.105 328 HD21 LEU 46 1HD2 LEU 46 1.616 -4.896 -0.856 329 HD22 LEU 46 2HD2 LEU 46 1.957 -6.006 0.472 330 HD23 LEU 46 3HD2 LEU 46 1.741 -4.285 0.794 331 H ILE 47 H ILE 47 -0.641 -4.010 3.864 332 HA ILE 47 HA ILE 47 -0.084 -6.625 4.594 333 HB ILE 47 HB ILE 47 -0.466 -4.270 6.447 334 HG12 ILE 47 1HG1 ILE 47 2.180 -5.282 5.466 335 HG13 ILE 47 2HG1 ILE 47 1.235 -4.196 4.454 336 HG21 ILE 47 1HG2 ILE 47 0.201 -5.545 8.150 337 HG22 ILE 47 2HG2 ILE 47 -0.144 -6.925 7.110 338 HG23 ILE 47 3HG2 ILE 47 1.494 -6.278 7.201 339 HD11 ILE 47 1HD1 ILE 47 2.884 -2.989 5.768 340 HD12 ILE 47 2HD1 ILE 47 1.244 -2.530 6.229 341 HD13 ILE 47 3HD1 ILE 47 2.176 -3.622 7.254 342 H ASP 48 H ASP 48 -2.753 -4.552 5.704 343 HA ASP 48 HA ASP 48 -3.972 -6.183 7.525 344 HB2 ASP 48 1HB ASP 48 -4.806 -3.957 7.079 345 HB3 ASP 48 2HB ASP 48 -5.279 -4.419 5.446 346 H ALA 49 H ALA 49 -4.551 -6.206 4.010 347 HA ALA 49 HA ALA 49 -6.426 -8.211 3.852 348 HB1 ALA 49 1HB ALA 49 -4.324 -7.203 2.019 349 HB2 ALA 49 2HB ALA 49 -5.103 -8.732 1.610 350 HB3 ALA 49 3HB ALA 49 -6.074 -7.273 1.810 351 H ILE 50 H ILE 50 -2.886 -8.589 3.820 352 HA ILE 50 HA ILE 50 -2.909 -11.411 3.665 353 HB ILE 50 HB ILE 50 -0.763 -9.589 4.759 354 HG12 ILE 50 1HG1 ILE 50 -0.711 -10.893 2.061 355 HG13 ILE 50 2HG1 ILE 50 -1.634 -9.411 2.290 356 HG21 ILE 50 1HG2 ILE 50 -0.974 -12.399 4.843 357 HG22 ILE 50 2HG2 ILE 50 0.230 -12.009 3.616 358 HG23 ILE 50 3HG2 ILE 50 0.418 -11.400 5.260 359 HD11 ILE 50 1HD1 ILE 50 1.310 -9.771 2.792 360 HD12 ILE 50 2HD1 ILE 50 0.568 -8.915 1.440 361 HD13 ILE 50 3HD1 ILE 50 0.397 -8.290 3.081 362 H GLN 51 H GLN 51 -2.225 -9.277 6.444 363 HA GLN 51 HA GLN 51 -3.299 -11.375 8.202 364 HB2 GLN 51 1HB GLN 51 -0.902 -11.528 8.391 365 HB3 GLN 51 2HB GLN 51 -0.761 -9.788 8.604 366 HG2 GLN 51 1HG GLN 51 -1.443 -9.854 10.779 367 HG3 GLN 51 2HG GLN 51 -2.410 -11.310 10.547 368 HE21 GLN 51 1HE2 GLN 51 0.888 -10.107 10.795 369 HE22 GLN 51 2HE2 GLN 51 1.572 -11.572 11.402 370 HA PRO 52 HA PRO 52 -5.461 -7.401 9.035 371 HB2 PRO 52 1HB PRO 52 -7.866 -8.568 9.509 372 HB3 PRO 52 2HB PRO 52 -7.302 -8.155 7.885 373 HG2 PRO 52 1HG PRO 52 -7.260 -10.798 9.290 374 HG3 PRO 52 2HG PRO 52 -7.696 -10.430 7.611 375 HD2 PRO 52 1HD PRO 52 -5.276 -11.429 8.303 376 HD3 PRO 52 2HD PRO 52 -5.496 -10.324 6.931 377 H GLY 53 H GLY 53 -6.768 -6.784 10.984 378 HA2 GLY 53 1HA GLY 53 -7.336 -6.998 13.248 379 HA3 GLY 53 2HA GLY 53 -6.462 -8.522 13.300 380 H CYS 54 H CYS 54 -4.054 -7.385 12.084 381 HA CYS 54 HA CYS 54 -2.892 -6.332 14.513 382 HB2 CYS 54 1HB CYS 54 -0.773 -6.659 13.460 383 HB3 CYS 54 2HB CYS 54 -1.769 -8.050 13.048 384 HG CYS 54 HG CYS 54 -1.197 -7.881 10.559 385 H ILE 55 H ILE 55 -3.658 -5.195 11.275 386 HA ILE 55 HA ILE 55 -2.306 -2.711 11.465 387 HB ILE 55 HB ILE 55 -4.656 -3.490 9.734 388 HG12 ILE 55 1HG1 ILE 55 -2.555 -4.829 9.446 389 HG13 ILE 55 2HG1 ILE 55 -3.037 -3.931 8.011 390 HG21 ILE 55 1HG2 ILE 55 -4.624 -1.468 8.772 391 HG22 ILE 55 2HG2 ILE 55 -3.793 -0.950 10.238 392 HG23 ILE 55 3HG2 ILE 55 -2.863 -1.376 8.802 393 HD11 ILE 55 1HD1 ILE 55 -1.148 -2.762 7.990 394 HD12 ILE 55 2HD1 ILE 55 -1.224 -2.440 9.723 395 HD13 ILE 55 3HD1 ILE 55 -0.542 -3.957 9.137 396 H ASN 56 H ASN 56 -2.795 -1.015 12.676 397 HA ASN 56 HA ASN 56 -5.565 -0.712 13.627 398 HB2 ASN 56 1HB ASN 56 -3.507 -1.026 15.239 399 HB3 ASN 56 2HB ASN 56 -3.261 0.690 14.925 400 HD21 ASN 56 1HD2 ASN 56 -3.751 1.381 16.958 401 HD22 ASN 56 2HD2 ASN 56 -5.336 1.284 17.640 402 H TYR 57 H TYR 57 -6.431 0.540 12.018 403 HA TYR 57 HA TYR 57 -5.162 2.691 10.743 404 HB2 TYR 57 1HB TYR 57 -8.090 2.078 11.159 405 HB3 TYR 57 2HB TYR 57 -7.511 3.395 10.146 406 HD1 TYR 57 2HD TYR 57 -5.562 2.544 8.438 407 HD2 TYR 57 1HD TYR 57 -8.702 0.163 10.044 408 HE1 TYR 57 2HE TYR 57 -5.352 0.996 6.538 409 HE2 TYR 57 1HE TYR 57 -8.500 -1.392 8.149 410 HH TYR 57 HH TYR 57 -6.544 -0.671 5.381 411 H ASP 58 H ASP 58 -7.133 2.533 13.659 412 HA ASP 58 HA ASP 58 -7.827 5.036 14.258 413 HB2 ASP 58 1HB ASP 58 -7.858 2.979 15.781 414 HB3 ASP 58 2HB ASP 58 -6.236 3.457 16.275 415 H LEU 59 H LEU 59 -4.502 3.837 14.381 416 HA LEU 59 HA LEU 59 -3.470 6.410 15.206 417 HB2 LEU 59 1HB LEU 59 -1.944 3.991 14.265 418 HB3 LEU 59 2HB LEU 59 -1.309 5.365 15.167 419 HG LEU 59 HG LEU 59 -3.345 3.433 16.267 420 HD11 LEU 59 1HD1 LEU 59 -1.692 1.964 16.465 421 HD12 LEU 59 2HD1 LEU 59 -0.931 3.081 17.597 422 HD13 LEU 59 3HD1 LEU 59 -0.499 3.128 15.889 423 HD21 LEU 59 1HD2 LEU 59 -3.101 4.507 18.291 424 HD22 LEU 59 2HD2 LEU 59 -3.001 5.858 17.162 425 HD23 LEU 59 3HD2 LEU 59 -1.530 5.185 17.865 426 H VAL 60 H VAL 60 -3.438 4.400 12.288 427 HA VAL 60 HA VAL 60 -1.797 5.972 10.686 428 HB VAL 60 HB VAL 60 -4.195 4.354 9.814 429 HG11 VAL 60 1HG1 VAL 60 -2.361 4.252 7.789 430 HG12 VAL 60 2HG1 VAL 60 -3.774 5.309 7.831 431 HG13 VAL 60 3HG1 VAL 60 -2.202 5.915 8.353 432 HG21 VAL 60 1HG2 VAL 60 -1.768 3.537 10.993 433 HG22 VAL 60 2HG2 VAL 60 -3.017 2.526 10.266 434 HG23 VAL 60 3HG2 VAL 60 -1.677 3.114 9.283 435 H LYS 61 H LYS 61 -2.151 7.653 9.260 436 HA LYS 61 HA LYS 61 -4.619 9.181 9.728 437 HB2 LYS 61 1HB LYS 61 -1.801 9.959 9.104 438 HB3 LYS 61 2HB LYS 61 -3.106 11.027 8.605 439 HG2 LYS 61 1HG LYS 61 -2.987 10.050 11.422 440 HG3 LYS 61 2HG LYS 61 -1.942 11.374 10.900 441 HD2 LYS 61 1HD LYS 61 -3.894 12.639 10.165 442 HD3 LYS 61 2HD LYS 61 -4.950 11.306 10.640 443 HE2 LYS 61 1HE LYS 61 -3.992 11.574 12.974 444 HE3 LYS 61 2HE LYS 61 -3.288 13.087 12.406 445 HZ1 LYS 61 1HZ LYS 61 -5.319 14.080 12.244 446 HZ2 LYS 61 2HZ LYS 61 -5.629 13.033 13.536 447 HZ3 LYS 61 3HZ LYS 61 -6.152 12.632 11.978 448 H SER 62 H SER 62 -5.268 10.592 7.821 449 HA SER 62 HA SER 62 -4.594 9.804 5.184 450 HB2 SER 62 1HB SER 62 -6.810 8.778 4.599 451 HB3 SER 62 2HB SER 62 -5.817 7.783 5.664 452 HG SER 62 HG SER 62 -8.216 8.283 6.137 453 H GLY 63 H GLY 63 -5.389 11.225 3.677 454 HA2 GLY 63 1HA GLY 63 -6.835 12.883 2.837 455 HA3 GLY 63 2HA GLY 63 -7.552 13.035 4.434 456 H ASN 64 H ASN 64 -5.094 14.145 2.283 457 HA ASN 64 HA ASN 64 -3.734 15.968 2.317 458 HB2 ASN 64 1HB ASN 64 -5.980 16.918 3.312 459 HB3 ASN 64 2HB ASN 64 -5.045 17.000 4.803 460 HD21 ASN 64 1HD2 ASN 64 -5.883 19.316 4.037 461 HD22 ASN 64 2HD2 ASN 64 -4.659 20.258 3.263 462 H LEU 65 H LEU 65 -2.518 13.850 3.287 463 HA LEU 65 HA LEU 65 -1.574 14.098 5.961 464 HB2 LEU 65 1HB LEU 65 -0.404 12.579 3.634 465 HB3 LEU 65 2HB LEU 65 0.050 12.379 5.325 466 HG LEU 65 HG LEU 65 -2.713 11.816 4.260 467 HD11 LEU 65 1HD1 LEU 65 -0.869 9.624 5.015 468 HD12 LEU 65 2HD1 LEU 65 -0.611 10.402 3.453 469 HD13 LEU 65 3HD1 LEU 65 -2.167 9.658 3.821 470 HD21 LEU 65 1HD2 LEU 65 -2.136 12.314 6.772 471 HD22 LEU 65 2HD2 LEU 65 -1.542 10.654 6.741 472 HD23 LEU 65 3HD2 LEU 65 -3.225 10.997 6.339 473 H THR 66 H THR 66 -0.363 15.747 6.611 474 HA THR 66 HA THR 66 1.218 17.340 4.875 475 HB THR 66 HB THR 66 0.205 18.113 7.052 476 HG1 THR 66 1HG THR 66 2.995 18.519 6.622 477 HG21 THR 66 1HG2 THR 66 2.524 16.537 8.168 478 HG22 THR 66 2HG2 THR 66 0.810 16.315 8.518 479 HG23 THR 66 3HG2 THR 66 1.643 17.766 9.074 480 H GLU 67 H GLU 67 3.537 17.673 5.018 481 HA GLU 67 HA GLU 67 5.146 15.668 4.387 482 HB2 GLU 67 1HB GLU 67 7.056 16.886 5.274 483 HB3 GLU 67 2HB GLU 67 5.900 18.004 4.563 484 HG2 GLU 67 1HG GLU 67 5.009 18.241 6.979 485 HG3 GLU 67 2HG GLU 67 6.567 17.556 7.438 486 H ASP 68 H ASP 68 4.372 16.505 7.743 487 HA ASP 68 HA ASP 68 5.976 14.493 8.924 488 HB2 ASP 68 1HB ASP 68 4.802 16.620 9.953 489 HB3 ASP 68 2HB ASP 68 3.495 15.482 10.269 490 H ASP 69 H ASP 69 2.468 14.651 8.321 491 HA ASP 69 HA ASP 69 1.729 12.180 9.286 492 HB2 ASP 69 1HB ASP 69 0.666 13.737 6.928 493 HB3 ASP 69 2HB ASP 69 -0.103 12.273 7.535 494 H LYS 70 H LYS 70 2.369 12.856 5.840 495 HA LYS 70 HA LYS 70 2.315 10.363 4.798 496 HB2 LYS 70 1HB LYS 70 4.167 12.658 4.205 497 HB3 LYS 70 2HB LYS 70 4.251 11.159 3.287 498 HG2 LYS 70 1HG LYS 70 1.876 11.440 2.677 499 HG3 LYS 70 2HG LYS 70 1.871 12.990 3.522 500 HD2 LYS 70 1HD LYS 70 3.874 13.565 1.993 501 HD3 LYS 70 2HD LYS 70 3.313 12.209 1.012 502 HE2 LYS 70 1HE LYS 70 1.049 13.310 0.988 503 HE3 LYS 70 2HE LYS 70 1.810 14.719 1.725 504 HZ1 LYS 70 1HZ LYS 70 1.872 13.828 -1.001 505 HZ2 LYS 70 2HZ LYS 70 3.412 14.173 -0.394 506 HZ3 LYS 70 3HZ LYS 70 2.204 15.357 -0.358 507 H HIS 71 H HIS 71 5.157 11.823 6.366 508 HA HIS 71 HA HIS 71 6.849 9.598 6.106 509 HB2 HIS 71 1HB HIS 71 6.812 12.054 7.784 510 HB3 HIS 71 2HB HIS 71 7.862 10.738 8.302 511 HD1 HIS 71 1HD HIS 71 9.989 10.343 6.977 512 HD2 HIS 71 2HD HIS 71 7.513 13.213 5.276 513 HE1 HIS 71 1HE HIS 71 11.358 11.424 5.166 514 HE2 HIS 71 2HE HIS 71 9.868 13.214 4.207 515 H ASN 72 H ASN 72 4.651 10.571 8.709 516 HA ASN 72 HA ASN 72 5.314 8.569 10.546 517 HB2 ASN 72 1HB ASN 72 2.796 10.153 10.078 518 HB3 ASN 72 2HB ASN 72 2.902 8.950 11.361 519 HD21 ASN 72 1HD2 ASN 72 3.077 12.117 10.809 520 HD22 ASN 72 2HD2 ASN 72 4.168 12.600 12.058 521 H ASN 73 H ASN 73 2.848 8.615 7.993 522 HA ASN 73 HA ASN 73 1.705 6.121 8.512 523 HB2 ASN 73 1HB ASN 73 2.017 7.608 5.896 524 HB3 ASN 73 2HB ASN 73 1.002 6.184 6.108 525 HD21 ASN 73 1HD2 ASN 73 -0.975 7.017 5.842 526 HD22 ASN 73 2HD2 ASN 73 -1.653 8.278 6.810 527 H ALA 74 H ALA 74 4.469 6.999 6.481 528 HA ALA 74 HA ALA 74 4.950 4.486 5.350 529 HB1 ALA 74 1HB ALA 74 6.047 6.910 5.022 530 HB2 ALA 74 2HB ALA 74 7.307 6.145 5.990 531 HB3 ALA 74 3HB ALA 74 6.807 5.420 4.462 532 H LYS 75 H LYS 75 6.774 5.975 8.035 533 HA LYS 75 HA LYS 75 8.329 3.945 8.855 534 HB2 LYS 75 1HB LYS 75 6.802 5.992 10.416 535 HB3 LYS 75 2HB LYS 75 7.708 4.757 11.280 536 HG2 LYS 75 1HG LYS 75 9.752 5.450 10.146 537 HG3 LYS 75 2HG LYS 75 8.847 6.679 9.260 538 HD2 LYS 75 1HD LYS 75 8.929 6.578 12.266 539 HD3 LYS 75 2HD LYS 75 10.122 7.463 11.312 540 HE2 LYS 75 1HE LYS 75 8.608 9.042 10.634 541 HE3 LYS 75 2HE LYS 75 7.237 7.942 10.767 542 HZ1 LYS 75 1HZ LYS 75 8.221 9.796 12.666 543 HZ2 LYS 75 2HZ LYS 75 8.234 8.239 13.325 544 HZ3 LYS 75 3HZ LYS 75 6.797 8.884 12.708 545 H TYR 76 H TYR 76 4.895 4.285 9.688 546 HA TYR 76 HA TYR 76 4.679 2.035 11.332 547 HB2 TYR 76 1HB TYR 76 2.975 3.935 10.855 548 HB3 TYR 76 2HB TYR 76 2.442 2.911 9.526 549 HD1 TYR 76 1HD TYR 76 3.446 2.204 13.060 550 HD2 TYR 76 2HD TYR 76 0.447 1.888 10.059 551 HE1 TYR 76 1HE TYR 76 2.030 0.931 14.618 552 HE2 TYR 76 2HE TYR 76 -0.978 0.615 11.609 553 HH TYR 76 HH TYR 76 -1.272 0.230 13.944 554 H ALA 77 H ALA 77 3.775 2.326 7.892 555 HA ALA 77 HA ALA 77 3.154 -0.322 7.409 556 HB1 ALA 77 1HB ALA 77 2.625 1.242 5.734 557 HB2 ALA 77 2HB ALA 77 4.295 1.796 5.609 558 HB3 ALA 77 3HB ALA 77 3.851 0.194 5.020 559 H VAL 78 H VAL 78 6.309 1.249 7.440 560 HA VAL 78 HA VAL 78 7.825 -0.841 6.345 561 HB VAL 78 HB VAL 78 8.672 1.213 8.394 562 HG11 VAL 78 1HG1 VAL 78 10.211 -0.682 8.297 563 HG12 VAL 78 2HG1 VAL 78 10.341 -0.492 6.547 564 HG13 VAL 78 3HG1 VAL 78 10.945 0.771 7.621 565 HG21 VAL 78 1HG2 VAL 78 7.730 2.093 6.245 566 HG22 VAL 78 2HG2 VAL 78 9.402 2.556 6.562 567 HG23 VAL 78 3HG2 VAL 78 9.046 1.273 5.405 568 H SER 79 H SER 79 6.958 -0.117 9.708 569 HA SER 79 HA SER 79 8.413 -2.295 10.818 570 HB2 SER 79 1HB SER 79 7.692 -0.235 12.074 571 HB3 SER 79 2HB SER 79 6.046 -0.868 12.047 572 HG SER 79 HG SER 79 7.234 -1.391 13.975 573 H MET 80 H MET 80 4.986 -1.810 10.022 574 HA MET 80 HA MET 80 4.052 -4.290 10.932 575 HB2 MET 80 1HB MET 80 3.013 -2.514 8.719 576 HB3 MET 80 2HB MET 80 2.141 -3.893 9.373 577 HG2 MET 80 1HG MET 80 2.866 -1.335 10.766 578 HG3 MET 80 2HG MET 80 1.259 -1.963 10.404 579 HE1 MET 80 1HE MET 80 0.664 -4.277 10.990 580 HE2 MET 80 2HE MET 80 1.230 -5.201 12.381 581 HE3 MET 80 3HE MET 80 0.033 -3.923 12.599 582 H ALA 81 H ALA 81 4.823 -3.301 7.590 583 HA ALA 81 HA ALA 81 4.429 -5.510 6.149 584 HB1 ALA 81 1HB ALA 81 6.350 -3.348 6.021 585 HB2 ALA 81 2HB ALA 81 6.987 -4.837 5.321 586 HB3 ALA 81 3HB ALA 81 5.473 -4.158 4.722 587 H ARG 82 H ARG 82 7.588 -5.029 7.745 588 HA ARG 82 HA ARG 82 8.390 -7.720 7.410 589 HB2 ARG 82 1HB ARG 82 10.230 -7.152 8.939 590 HB3 ARG 82 2HB ARG 82 10.015 -5.926 7.696 591 HG2 ARG 82 1HG ARG 82 8.857 -4.493 9.279 592 HG3 ARG 82 2HG ARG 82 9.008 -5.732 10.527 593 HD2 ARG 82 1HD ARG 82 11.548 -5.564 10.027 594 HD3 ARG 82 2HD ARG 82 11.128 -4.018 9.291 595 HE ARG 82 HE ARG 82 10.081 -4.336 11.943 596 HH11 ARG 82 2HH1 ARG 82 12.861 -3.397 10.071 597 HH12 ARG 82 1HH1 ARG 82 13.514 -2.377 11.309 598 HH21 ARG 82 2HH2 ARG 82 10.930 -2.995 13.582 599 HH22 ARG 82 1HH2 ARG 82 12.415 -2.150 13.307 600 H ARG 83 H ARG 83 6.943 -5.959 10.113 601 HA ARG 83 HA ARG 83 7.154 -7.744 12.164 602 HB2 ARG 83 1HB ARG 83 6.068 -5.571 12.405 603 HB3 ARG 83 2HB ARG 83 4.716 -6.118 11.422 604 HG2 ARG 83 1HG ARG 83 3.892 -7.496 13.091 605 HG3 ARG 83 2HG ARG 83 5.440 -7.564 13.935 606 HD2 ARG 83 1HD ARG 83 5.186 -5.171 14.508 607 HD3 ARG 83 2HD ARG 83 3.599 -5.183 13.741 608 HE ARG 83 HE ARG 83 3.498 -7.200 15.584 609 HH11 ARG 83 2HH1 ARG 83 4.186 -3.789 15.678 610 HH12 ARG 83 1HH1 ARG 83 3.586 -3.579 17.289 611 HH21 ARG 83 2HH2 ARG 83 2.706 -6.937 17.707 612 HH22 ARG 83 1HH2 ARG 83 2.745 -5.371 18.443 613 H ILE 84 H ILE 84 4.422 -7.680 9.866 614 HA ILE 84 HA ILE 84 3.223 -10.050 10.733 615 HB ILE 84 HB ILE 84 2.106 -10.105 8.523 616 HG12 ILE 84 1HG1 ILE 84 3.642 -7.599 7.856 617 HG13 ILE 84 2HG1 ILE 84 4.192 -9.188 7.336 618 HG21 ILE 84 1HG2 ILE 84 1.809 -7.281 9.031 619 HG22 ILE 84 2HG2 ILE 84 0.678 -8.601 9.322 620 HG23 ILE 84 3HG2 ILE 84 1.890 -8.194 10.537 621 HD11 ILE 84 1HD1 ILE 84 2.808 -7.791 5.707 622 HD12 ILE 84 2HD1 ILE 84 2.367 -9.485 5.924 623 HD13 ILE 84 3HD1 ILE 84 1.429 -8.221 6.717 624 H GLY 85 H GLY 85 6.032 -9.531 8.802 625 HA2 GLY 85 1HA GLY 85 7.487 -11.581 8.777 626 HA3 GLY 85 2HA GLY 85 6.084 -12.404 8.113 627 H ALA 86 H ALA 86 8.327 -9.728 7.485 628 HA ALA 86 HA ALA 86 8.332 -10.476 4.660 629 HB1 ALA 86 1HB ALA 86 7.770 -8.388 3.824 630 HB2 ALA 86 2HB ALA 86 6.659 -8.573 5.181 631 HB3 ALA 86 3HB ALA 86 8.102 -7.574 5.352 632 H ARG 87 H ARG 87 10.324 -10.458 3.822 633 HA ARG 87 HA ARG 87 12.519 -9.549 5.487 634 HB2 ARG 87 1HB ARG 87 12.455 -11.764 4.211 635 HB3 ARG 87 2HB ARG 87 12.737 -10.812 2.760 636 HG2 ARG 87 1HG ARG 87 14.823 -9.962 3.745 637 HG3 ARG 87 2HG ARG 87 14.545 -10.977 5.161 638 HD2 ARG 87 1HD ARG 87 15.974 -12.284 3.900 639 HD3 ARG 87 2HD ARG 87 14.392 -12.904 3.430 640 HE ARG 87 HE ARG 87 15.421 -10.802 1.739 641 HH11 ARG 87 2HH1 ARG 87 15.226 -14.230 2.312 642 HH12 ARG 87 1HH1 ARG 87 15.558 -14.656 0.665 643 HH21 ARG 87 2HH2 ARG 87 15.859 -11.350 -0.431 644 HH22 ARG 87 1HH2 ARG 87 15.919 -13.017 -0.894 645 H VAL 88 H VAL 88 11.122 -7.370 4.737 646 HA VAL 88 HA VAL 88 12.767 -6.158 2.611 647 HB VAL 88 HB VAL 88 10.458 -6.220 1.911 648 HG11 VAL 88 1HG1 VAL 88 9.263 -4.432 3.809 649 HG12 VAL 88 2HG1 VAL 88 8.753 -6.050 3.325 650 HG13 VAL 88 3HG1 VAL 88 9.911 -5.846 4.639 651 HG21 VAL 88 1HG2 VAL 88 11.074 -4.281 0.980 652 HG22 VAL 88 2HG2 VAL 88 10.112 -3.518 2.246 653 HG23 VAL 88 3HG2 VAL 88 11.851 -3.715 2.459 654 H TYR 89 H TYR 89 14.208 -4.761 3.356 655 HA TYR 89 HA TYR 89 13.599 -3.294 5.838 656 HB2 TYR 89 1HB TYR 89 16.173 -3.046 5.907 657 HB3 TYR 89 2HB TYR 89 15.471 -4.601 6.342 658 HD1 TYR 89 1HD TYR 89 17.396 -2.771 3.811 659 HD2 TYR 89 2HD TYR 89 15.774 -6.542 4.930 660 HE1 TYR 89 1HE TYR 89 18.794 -3.869 2.112 661 HE2 TYR 89 2HE TYR 89 17.168 -7.651 3.234 662 HH TYR 89 HH TYR 89 18.549 -7.350 1.503 663 H ALA 90 H ALA 90 12.601 -2.300 3.478 664 HA ALA 90 HA ALA 90 14.398 -0.368 2.334 665 HB1 ALA 90 1HB ALA 90 11.642 -1.263 1.868 666 HB2 ALA 90 2HB ALA 90 11.940 0.441 1.525 667 HB3 ALA 90 3HB ALA 90 12.898 -0.801 0.720 668 H LEU 91 H LEU 91 14.829 1.600 3.080 669 HA LEU 91 HA LEU 91 14.076 2.599 5.511 670 HB2 LEU 91 1HB LEU 91 14.701 4.246 3.065 671 HB3 LEU 91 2HB LEU 91 14.822 4.779 4.740 672 HG LEU 91 HG LEU 91 16.517 2.632 3.466 673 HD11 LEU 91 1HD1 LEU 91 18.190 4.649 4.187 674 HD12 LEU 91 2HD1 LEU 91 16.775 5.545 3.635 675 HD13 LEU 91 3HD1 LEU 91 17.564 4.391 2.559 676 HD21 LEU 91 1HD2 LEU 91 17.577 3.755 5.869 677 HD22 LEU 91 2HD2 LEU 91 17.161 2.078 5.515 678 HD23 LEU 91 3HD2 LEU 91 15.941 3.169 6.173 679 HA PRO 92 HA PRO 92 9.925 4.011 5.222 680 HB2 PRO 92 1HB PRO 92 9.978 6.056 7.007 681 HB3 PRO 92 2HB PRO 92 10.025 4.357 7.492 682 HG2 PRO 92 1HG PRO 92 12.274 6.315 7.226 683 HG3 PRO 92 2HG PRO 92 11.974 5.122 8.504 684 HD2 PRO 92 1HD PRO 92 13.755 4.702 6.508 685 HD3 PRO 92 2HD PRO 92 12.831 3.384 7.256 686 H GLU 93 H GLU 93 12.572 6.191 4.620 687 HA GLU 93 HA GLU 93 11.025 8.417 3.761 688 HB2 GLU 93 1HB GLU 93 13.894 7.641 3.221 689 HB3 GLU 93 2HB GLU 93 13.181 9.165 2.710 690 HG2 GLU 93 1HG GLU 93 12.562 9.371 5.246 691 HG3 GLU 93 2HG GLU 93 13.883 8.221 5.442 692 H ASP 94 H ASP 94 12.601 5.735 2.067 693 HA ASP 94 HA ASP 94 12.344 6.392 -0.544 694 HB2 ASP 94 1HB ASP 94 13.231 4.293 -0.324 695 HB3 ASP 94 2HB ASP 94 12.085 3.823 0.929 696 H LEU 95 H LEU 95 9.736 5.197 1.536 697 HA LEU 95 HA LEU 95 7.740 5.049 -0.431 698 HB2 LEU 95 1HB LEU 95 7.422 5.657 2.504 699 HB3 LEU 95 2HB LEU 95 6.153 5.095 1.418 700 HG LEU 95 HG LEU 95 8.609 3.502 2.149 701 HD11 LEU 95 1HD1 LEU 95 6.755 2.128 3.349 702 HD12 LEU 95 2HD1 LEU 95 5.883 3.660 3.355 703 HD13 LEU 95 3HD1 LEU 95 7.456 3.539 4.143 704 HD21 LEU 95 1HD2 LEU 95 7.396 3.096 -0.069 705 HD22 LEU 95 2HD2 LEU 95 6.064 2.493 0.919 706 HD23 LEU 95 3HD2 LEU 95 7.644 1.712 0.996 707 H VAL 96 H VAL 96 8.230 7.600 2.018 708 HA VAL 96 HA VAL 96 6.357 9.412 1.162 709 HB VAL 96 HB VAL 96 9.112 10.048 2.228 710 HG11 VAL 96 1HG1 VAL 96 7.716 12.100 3.085 711 HG12 VAL 96 2HG1 VAL 96 8.419 12.099 1.466 712 HG13 VAL 96 3HG1 VAL 96 6.709 11.725 1.687 713 HG21 VAL 96 1HG2 VAL 96 7.538 8.537 3.574 714 HG22 VAL 96 2HG2 VAL 96 8.215 9.948 4.387 715 HG23 VAL 96 3HG2 VAL 96 6.554 9.984 3.796 716 H GLU 97 H GLU 97 9.626 8.925 -0.094 717 HA GLU 97 HA GLU 97 9.400 11.090 -1.982 718 HB2 GLU 97 1HB GLU 97 11.460 8.889 -1.747 719 HB3 GLU 97 2HB GLU 97 11.583 10.283 -2.812 720 HG2 GLU 97 1HG GLU 97 11.290 11.631 -0.594 721 HG3 GLU 97 2HG GLU 97 11.841 10.131 0.150 722 H VAL 98 H VAL 98 8.802 7.670 -1.941 723 HA VAL 98 HA VAL 98 7.772 6.297 -3.443 724 HB VAL 98 HB VAL 98 7.403 8.677 -5.255 725 HG11 VAL 98 1HG1 VAL 98 5.319 6.627 -5.004 726 HG12 VAL 98 2HG1 VAL 98 5.995 7.393 -6.444 727 HG13 VAL 98 3HG1 VAL 98 6.844 6.050 -5.676 728 HG21 VAL 98 1HG2 VAL 98 5.149 7.986 -3.538 729 HG22 VAL 98 2HG2 VAL 98 6.542 8.599 -2.647 730 HG23 VAL 98 3HG2 VAL 98 5.826 9.564 -3.938 731 H LYS 99 H LYS 99 10.432 6.183 -3.470 732 HA LYS 99 HA LYS 99 11.588 6.677 -6.038 733 HB2 LYS 99 1HB LYS 99 12.615 4.835 -3.875 734 HB3 LYS 99 2HB LYS 99 13.544 5.559 -5.181 735 HG2 LYS 99 1HG LYS 99 12.895 7.807 -4.163 736 HG3 LYS 99 2HG LYS 99 12.396 6.879 -2.747 737 HD2 LYS 99 1HD LYS 99 14.596 6.063 -2.397 738 HD3 LYS 99 2HD LYS 99 15.135 6.642 -3.976 739 HE2 LYS 99 1HE LYS 99 14.059 8.604 -2.007 740 HE3 LYS 99 2HE LYS 99 15.689 7.973 -1.775 741 HZ1 LYS 99 1HZ LYS 99 15.923 9.913 -3.046 742 HZ2 LYS 99 2HZ LYS 99 14.642 9.513 -4.075 743 HZ3 LYS 99 3HZ LYS 99 16.093 8.648 -4.157 744 HA PRO 100 HA PRO 100 9.869 3.058 -7.979 745 HB2 PRO 100 1HB PRO 100 11.146 3.380 -10.354 746 HB3 PRO 100 2HB PRO 100 9.735 4.335 -9.884 747 HG2 PRO 100 1HG PRO 100 12.637 5.058 -9.762 748 HG3 PRO 100 2HG PRO 100 11.261 6.041 -10.295 749 HD2 PRO 100 1HD PRO 100 12.372 6.300 -7.840 750 HD3 PRO 100 2HD PRO 100 10.644 6.571 -8.138 751 H LYS 101 H LYS 101 12.932 3.518 -6.829 752 HA LYS 101 HA LYS 101 14.054 1.103 -8.044 753 HB2 LYS 101 1HB LYS 101 15.388 2.992 -6.102 754 HB3 LYS 101 2HB LYS 101 16.163 1.775 -7.108 755 HG2 LYS 101 1HG LYS 101 14.600 3.906 -8.459 756 HG3 LYS 101 2HG LYS 101 16.162 4.332 -7.757 757 HD2 LYS 101 1HD LYS 101 16.862 3.693 -9.830 758 HD3 LYS 101 2HD LYS 101 16.906 2.121 -9.027 759 HE2 LYS 101 1HE LYS 101 15.811 1.859 -11.142 760 HE3 LYS 101 2HE LYS 101 14.603 1.699 -9.869 761 HZ1 LYS 101 1HZ LYS 101 14.839 4.400 -10.711 762 HZ2 LYS 101 2HZ LYS 101 13.474 3.402 -10.694 763 HZ3 LYS 101 3HZ LYS 101 14.509 3.396 -12.032 764 H MET 102 H MET 102 13.208 2.451 -4.881 765 HA MET 102 HA MET 102 13.806 -0.077 -3.572 766 HB2 MET 102 1HB MET 102 12.984 2.644 -2.594 767 HB3 MET 102 2HB MET 102 12.935 1.246 -1.529 768 HG2 MET 102 1HG MET 102 15.354 2.349 -2.936 769 HG3 MET 102 2HG MET 102 14.992 2.454 -1.215 770 HE1 MET 102 1HE MET 102 16.340 1.218 0.270 771 HE2 MET 102 2HE MET 102 14.922 0.178 0.405 772 HE3 MET 102 3HE MET 102 16.530 -0.535 0.260 773 H VAL 103 H VAL 103 10.989 2.083 -3.911 774 HA VAL 103 HA VAL 103 9.047 0.621 -2.684 775 HB VAL 103 HB VAL 103 8.750 2.103 -5.300 776 HG11 VAL 103 1HG1 VAL 103 6.583 1.612 -5.287 777 HG12 VAL 103 2HG1 VAL 103 6.904 0.459 -3.990 778 HG13 VAL 103 3HG1 VAL 103 6.427 2.113 -3.604 779 HG21 VAL 103 1HG2 VAL 103 9.660 3.522 -3.567 780 HG22 VAL 103 2HG2 VAL 103 7.978 3.959 -3.862 781 HG23 VAL 103 3HG2 VAL 103 8.404 3.006 -2.442 782 H MET 104 H MET 104 10.484 0.016 -5.832 783 HA MET 104 HA MET 104 8.678 -1.841 -6.845 784 HB2 MET 104 1HB MET 104 10.599 -0.848 -8.088 785 HB3 MET 104 2HB MET 104 11.681 -1.898 -7.183 786 HG2 MET 104 1HG MET 104 10.130 -3.788 -8.112 787 HG3 MET 104 2HG MET 104 9.733 -2.575 -9.327 788 HE1 MET 104 1HE MET 104 12.215 -4.491 -7.462 789 HE2 MET 104 2HE MET 104 12.623 -5.500 -8.849 790 HE3 MET 104 3HE MET 104 13.768 -4.289 -8.273 791 H THR 105 H THR 105 11.575 -2.409 -4.856 792 HA THR 105 HA THR 105 11.030 -5.222 -4.614 793 HB THR 105 HB THR 105 13.333 -4.561 -4.560 794 HG1 THR 105 1HG THR 105 13.268 -6.238 -3.220 795 HG21 THR 105 1HG2 THR 105 13.206 -2.299 -3.806 796 HG22 THR 105 2HG2 THR 105 14.197 -3.178 -2.641 797 HG23 THR 105 3HG2 THR 105 12.520 -2.790 -2.258 798 H VAL 106 H VAL 106 10.271 -2.348 -2.825 799 HA VAL 106 HA VAL 106 9.818 -3.335 -0.277 800 HB VAL 106 HB VAL 106 8.377 -1.175 -1.808 801 HG11 VAL 106 1HG1 VAL 106 6.864 -2.076 -0.113 802 HG12 VAL 106 2HG1 VAL 106 8.107 -1.854 1.120 803 HG13 VAL 106 3HG1 VAL 106 7.405 -0.452 0.311 804 HG21 VAL 106 1HG2 VAL 106 10.655 -1.280 0.121 805 HG22 VAL 106 2HG2 VAL 106 10.517 -0.407 -1.406 806 HG23 VAL 106 3HG2 VAL 106 9.659 0.172 0.022 807 H PHE 107 H PHE 107 7.737 -3.456 -3.125 808 HA PHE 107 HA PHE 107 5.597 -4.743 -1.656 809 HB2 PHE 107 1HB PHE 107 5.968 -3.796 -4.474 810 HB3 PHE 107 2HB PHE 107 4.687 -4.948 -4.111 811 HD1 PHE 107 1HD PHE 107 3.299 -4.247 -1.901 812 HD2 PHE 107 2HD PHE 107 5.365 -1.594 -4.510 813 HE1 PHE 107 1HE PHE 107 1.845 -2.402 -1.170 814 HE2 PHE 107 2HE PHE 107 3.915 0.256 -3.783 815 HZ PHE 107 HZ PHE 107 2.153 -0.146 -2.110 816 H ALA 108 H ALA 108 7.884 -5.603 -4.233 817 HA ALA 108 HA ALA 108 7.165 -8.128 -4.883 818 HB1 ALA 108 1HB ALA 108 9.914 -7.005 -4.423 819 HB2 ALA 108 2HB ALA 108 9.648 -8.626 -5.067 820 HB3 ALA 108 3HB ALA 108 9.056 -7.219 -5.949 821 H CYS 109 H CYS 109 9.316 -7.361 -2.139 822 HA CYS 109 HA CYS 109 9.701 -9.843 -1.089 823 HB2 CYS 109 1HB CYS 109 10.396 -7.425 -0.256 824 HB3 CYS 109 2HB CYS 109 9.033 -7.657 0.832 825 HG CYS 109 HG CYS 109 10.140 -10.159 1.776 826 H LEU 110 H LEU 110 7.064 -7.674 -0.047 827 HA LEU 110 HA LEU 110 5.698 -9.368 1.606 828 HB2 LEU 110 1HB LEU 110 4.390 -7.502 -0.364 829 HB3 LEU 110 2HB LEU 110 3.715 -8.077 1.159 830 HG LEU 110 HG LEU 110 6.247 -6.498 1.205 831 HD11 LEU 110 1HD1 LEU 110 5.339 -4.662 0.365 832 HD12 LEU 110 2HD1 LEU 110 4.060 -4.736 1.576 833 HD13 LEU 110 3HD1 LEU 110 3.849 -5.541 0.022 834 HD21 LEU 110 1HD2 LEU 110 3.934 -7.025 3.035 835 HD22 LEU 110 2HD2 LEU 110 5.006 -5.650 3.297 836 HD23 LEU 110 3HD2 LEU 110 5.656 -7.290 3.311 837 H MET 111 H MET 111 5.085 -8.991 -1.889 838 HA MET 111 HA MET 111 3.116 -10.810 -2.296 839 HB2 MET 111 1HB MET 111 4.098 -9.464 -4.091 840 HB3 MET 111 2HB MET 111 5.563 -10.436 -4.033 841 HG2 MET 111 1HG MET 111 4.155 -12.421 -4.627 842 HG3 MET 111 2HG MET 111 2.821 -11.302 -4.900 843 HE1 MET 111 1HE MET 111 4.689 -8.758 -6.877 844 HE2 MET 111 2HE MET 111 3.366 -9.426 -7.832 845 HE3 MET 111 3HE MET 111 3.170 -9.195 -6.094 846 H GLY 112 H GLY 112 6.589 -11.637 -2.463 847 HA2 GLY 112 1HA GLY 112 6.605 -14.275 -2.877 848 HA3 GLY 112 2HA GLY 112 7.642 -13.550 -1.656 849 H ARG 113 H ARG 113 5.906 -12.867 0.318 850 HA ARG 113 HA ARG 113 5.340 -15.420 1.487 851 HB2 ARG 113 1HB ARG 113 5.152 -12.574 2.387 852 HB3 ARG 113 2HB ARG 113 4.314 -13.817 3.306 853 HG2 ARG 113 1HG ARG 113 7.197 -14.176 2.628 854 HG3 ARG 113 2HG ARG 113 6.729 -13.111 3.956 855 HD2 ARG 113 1HD ARG 113 5.391 -15.021 4.885 856 HD3 ARG 113 2HD ARG 113 6.126 -16.047 3.653 857 HE ARG 113 HE ARG 113 8.279 -14.986 4.839 858 HH11 ARG 113 2HH1 ARG 113 5.414 -16.472 6.144 859 HH12 ARG 113 1HH1 ARG 113 6.215 -17.082 7.554 860 HH21 ARG 113 2HH2 ARG 113 9.344 -15.784 6.691 861 HH22 ARG 113 1HH2 ARG 113 8.450 -16.689 7.864 862 H GLY 114 H GLY 114 3.281 -12.579 0.805 863 HA2 GLY 114 1HA GLY 114 0.824 -13.621 1.421 864 HA3 GLY 114 2HA GLY 114 1.085 -12.463 0.125 865 H MET 115 H MET 115 2.089 -13.578 -1.915 866 HA MET 115 HA MET 115 0.280 -14.999 -3.258 867 HB2 MET 115 1HB MET 115 3.252 -14.998 -3.378 868 HB3 MET 115 2HB MET 115 2.407 -16.228 -4.307 869 HG2 MET 115 1HG MET 115 2.001 -13.255 -4.529 870 HG3 MET 115 2HG MET 115 2.892 -14.272 -5.659 871 HE1 MET 115 1HE MET 115 0.408 -15.312 -8.127 872 HE2 MET 115 2HE MET 115 1.483 -13.924 -7.956 873 HE3 MET 115 3HE MET 115 2.027 -15.527 -7.461 874 H LYS 116 H LYS 116 -0.748 -16.872 -3.060 875 HA LYS 116 HA LYS 116 -0.049 -18.740 -1.018 876 HB2 LYS 116 1HB LYS 116 -2.167 -18.648 -3.147 877 HB3 LYS 116 2HB LYS 116 -1.933 -20.095 -2.174 878 HG2 LYS 116 1HG LYS 116 -3.522 -19.067 -0.926 879 HG3 LYS 116 2HG LYS 116 -2.087 -18.346 -0.194 880 HD2 LYS 116 1HD LYS 116 -2.332 -16.383 -1.617 881 HD3 LYS 116 2HD LYS 116 -3.738 -17.110 -2.399 882 HE2 LYS 116 1HE LYS 116 -3.676 -16.729 0.570 883 HE3 LYS 116 2HE LYS 116 -4.084 -15.383 -0.493 884 HZ1 LYS 116 1HZ LYS 116 -5.609 -17.772 0.140 885 HZ2 LYS 116 2HZ LYS 116 -5.666 -17.275 -1.475 886 HZ3 LYS 116 3HZ LYS 116 -6.145 -16.215 -0.247 887 H ARG 117 H ARG 117 0.948 -20.684 -1.155 888 HA ARG 117 HA ARG 117 2.325 -21.279 -3.652 889 HB2 ARG 117 1HB ARG 117 2.678 -22.065 -0.794 890 HB3 ARG 117 2HB ARG 117 3.313 -23.132 -2.040 891 HG2 ARG 117 1HG ARG 117 4.377 -20.914 -2.952 892 HG3 ARG 117 2HG ARG 117 4.158 -20.384 -1.283 893 HD2 ARG 117 1HD ARG 117 6.338 -21.297 -1.416 894 HD3 ARG 117 2HD ARG 117 5.347 -22.492 -0.581 895 HE ARG 117 HE ARG 117 5.202 -23.329 -3.123 896 HH11 ARG 117 2HH1 ARG 117 7.903 -22.389 -1.137 897 HH12 ARG 117 1HH1 ARG 117 9.022 -23.446 -1.931 898 HH21 ARG 117 2HH2 ARG 117 6.667 -24.724 -4.177 899 HH22 ARG 117 1HH2 ARG 117 8.318 -24.773 -3.661 900 H VAL 118 H VAL 118 2.205 -23.258 -4.722 901 HA VAL 118 HA VAL 118 -0.266 -24.432 -5.027 902 HB VAL 118 HB VAL 118 0.863 -26.296 -6.152 903 HG11 VAL 118 1HG1 VAL 118 1.616 -23.473 -6.679 904 HG12 VAL 118 2HG1 VAL 118 2.433 -24.733 -7.606 905 HG13 VAL 118 3HG1 VAL 118 0.675 -24.596 -7.660 906 HG21 VAL 118 1HG2 VAL 118 2.704 -26.683 -4.658 907 HG22 VAL 118 2HG2 VAL 118 3.348 -26.311 -6.257 908 HG23 VAL 118 3HG2 VAL 118 3.368 -25.083 -4.991 909 H SER 119 H SER 119 -0.954 -26.659 -4.558 910 HA SER 119 HA SER 119 0.220 -28.183 -2.483 911 HB2 SER 119 1HB SER 119 -1.823 -26.154 -1.726 912 HB3 SER 119 2HB SER 119 -1.943 -27.743 -0.970 913 HG SER 119 HG SER 119 0.301 -26.004 -0.946 914 H GLY 120 H GLY 120 -0.301 -30.162 -3.119 915 HA2 GLY 120 1HA GLY 120 -2.544 -31.531 -3.042 916 HA3 GLY 120 2HA GLY 120 -2.841 -30.605 -4.506 917 HA PRO 121 HA PRO 121 -0.009 -34.463 -5.115 918 HB2 PRO 121 1HB PRO 121 -1.840 -36.433 -5.486 919 HB3 PRO 121 2HB PRO 121 -1.132 -36.064 -3.909 920 HG2 PRO 121 1HG PRO 121 -3.781 -35.242 -5.034 921 HG3 PRO 121 2HG PRO 121 -3.390 -35.823 -3.406 922 HD2 PRO 121 1HD PRO 121 -3.736 -33.198 -3.971 923 HD3 PRO 121 2HD PRO 121 -2.609 -33.765 -2.722 924 H SER 122 H SER 122 0.477 -33.514 -7.089 925 HA SER 122 HA SER 122 0.412 -33.140 -9.335 926 HB2 SER 122 1HB SER 122 -0.872 -35.805 -8.975 927 HB3 SER 122 2HB SER 122 -0.990 -35.050 -10.565 928 HG SER 122 HG SER 122 1.448 -35.390 -9.156 929 H SER 123 H SER 123 -1.406 -31.620 -7.923 930 HA SER 123 HA SER 123 -3.422 -31.164 -9.970 931 HB2 SER 123 1HB SER 123 -4.628 -32.608 -8.449 932 HB3 SER 123 2HB SER 123 -4.116 -31.645 -7.064 933 HG SER 123 HG SER 123 -5.469 -30.328 -9.113 934 H GLY 124 H GLY 124 -4.309 -29.044 -9.935 935 HA2 GLY 124 1HA GLY 124 -4.344 -26.784 -9.478 936 HA3 GLY 124 2HA GLY 124 -3.540 -27.129 -7.955 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.146 8.746 -15.785 2 HA2 GLY 1 1HA GLY 1 11.652 10.855 -17.778 3 HA3 GLY 1 2HA GLY 1 12.948 9.767 -17.304 4 H SER 2 H SER 2 13.094 7.787 -18.228 5 HA SER 2 HA SER 2 11.520 7.313 -20.576 6 HB2 SER 2 1HB SER 2 13.604 5.569 -19.240 7 HB3 SER 2 2HB SER 2 12.935 5.313 -20.851 8 HG SER 2 HG SER 2 14.449 6.600 -21.506 9 H SER 3 H SER 3 9.652 6.275 -20.676 10 HA SER 3 HA SER 3 8.631 4.873 -18.367 11 HB2 SER 3 1HB SER 3 7.028 6.216 -19.484 12 HB3 SER 3 2HB SER 3 7.469 5.567 -21.063 13 HG SER 3 HG SER 3 5.624 4.526 -20.487 14 H GLY 4 H GLY 4 8.576 2.734 -18.054 15 HA2 GLY 4 1HA GLY 4 8.136 0.542 -19.199 16 HA3 GLY 4 2HA GLY 4 9.418 1.014 -20.305 17 H SER 5 H SER 5 8.740 -0.877 -17.719 18 HA SER 5 HA SER 5 11.500 -0.746 -16.696 19 HB2 SER 5 1HB SER 5 8.913 -1.530 -15.366 20 HB3 SER 5 2HB SER 5 10.471 -2.030 -14.709 21 HG SER 5 HG SER 5 9.239 0.348 -14.509 22 H SER 6 H SER 6 12.784 -2.475 -16.911 23 HA SER 6 HA SER 6 11.787 -4.747 -18.405 24 HB2 SER 6 1HB SER 6 14.467 -3.674 -17.676 25 HB3 SER 6 2HB SER 6 14.347 -5.405 -17.994 26 HG SER 6 HG SER 6 13.646 -4.980 -20.041 27 H GLY 7 H GLY 7 10.601 -6.099 -17.160 28 HA2 GLY 7 1HA GLY 7 11.588 -8.082 -15.654 29 HA3 GLY 7 2HA GLY 7 11.473 -6.784 -14.475 30 H ASN 8 H ASN 8 9.922 -7.849 -13.240 31 HA ASN 8 HA ASN 8 7.336 -8.359 -14.534 32 HB2 ASN 8 1HB ASN 8 6.864 -9.461 -12.230 33 HB3 ASN 8 2HB ASN 8 7.927 -10.290 -13.363 34 HD21 ASN 8 1HD2 ASN 8 9.666 -11.102 -12.471 35 HD22 ASN 8 2HD2 ASN 8 10.502 -10.472 -11.096 36 H ASP 9 H ASP 9 7.886 -5.711 -14.245 37 HA ASP 9 HA ASP 9 7.126 -4.508 -11.837 38 HB2 ASP 9 1HB ASP 9 6.436 -2.571 -13.424 39 HB3 ASP 9 2HB ASP 9 8.128 -3.058 -13.364 40 H ASP 10 H ASP 10 5.133 -4.908 -14.772 41 HA ASP 10 HA ASP 10 2.717 -4.086 -13.721 42 HB2 ASP 10 1HB ASP 10 1.736 -5.754 -15.456 43 HB3 ASP 10 2HB ASP 10 2.714 -4.406 -16.030 44 H ILE 11 H ILE 11 3.779 -7.478 -14.048 45 HA ILE 11 HA ILE 11 1.809 -8.855 -12.875 46 HB ILE 11 HB ILE 11 4.737 -9.226 -12.232 47 HG12 ILE 11 1HG1 ILE 11 3.008 -10.568 -14.321 48 HG13 ILE 11 2HG1 ILE 11 4.146 -9.267 -14.652 49 HG21 ILE 11 1HG2 ILE 11 3.098 -11.612 -12.241 50 HG22 ILE 11 2HG2 ILE 11 4.230 -11.025 -11.024 51 HG23 ILE 11 3HG2 ILE 11 2.563 -10.450 -11.027 52 HD11 ILE 11 1HD1 ILE 11 5.446 -11.041 -15.188 53 HD12 ILE 11 2HD1 ILE 11 5.819 -10.942 -13.467 54 HD13 ILE 11 3HD1 ILE 11 4.642 -12.120 -14.048 55 H ILE 12 H ILE 12 4.191 -6.913 -11.126 56 HA ILE 12 HA ILE 12 3.323 -7.618 -8.526 57 HB ILE 12 HB ILE 12 4.800 -5.170 -9.495 58 HG12 ILE 12 1HG1 ILE 12 5.924 -7.475 -7.921 59 HG13 ILE 12 2HG1 ILE 12 5.810 -7.545 -9.676 60 HG21 ILE 12 1HG2 ILE 12 5.221 -5.796 -6.724 61 HG22 ILE 12 2HG2 ILE 12 4.680 -4.289 -7.461 62 HG23 ILE 12 3HG2 ILE 12 3.506 -5.535 -7.040 63 HD11 ILE 12 1HD1 ILE 12 7.144 -5.432 -9.753 64 HD12 ILE 12 2HD1 ILE 12 7.397 -5.610 -8.016 65 HD13 ILE 12 3HD1 ILE 12 8.002 -6.840 -9.126 66 H VAL 13 H VAL 13 2.757 -4.655 -10.433 67 HA VAL 13 HA VAL 13 1.057 -3.330 -8.731 68 HB VAL 13 HB VAL 13 0.897 -3.447 -11.746 69 HG11 VAL 13 1HG1 VAL 13 -1.181 -2.616 -10.665 70 HG12 VAL 13 2HG1 VAL 13 -0.226 -1.347 -9.896 71 HG13 VAL 13 3HG1 VAL 13 -0.365 -1.406 -11.654 72 HG21 VAL 13 1HG2 VAL 13 2.171 -1.346 -11.640 73 HG22 VAL 13 2HG2 VAL 13 2.282 -1.513 -9.888 74 HG23 VAL 13 3HG2 VAL 13 3.062 -2.696 -10.937 75 H ASN 14 H ASN 14 0.230 -5.843 -11.090 76 HA ASN 14 HA ASN 14 -2.546 -5.764 -10.810 77 HB2 ASN 14 1HB ASN 14 -0.597 -7.877 -11.653 78 HB3 ASN 14 2HB ASN 14 -2.291 -8.304 -11.429 79 HD21 ASN 14 1HD2 ASN 14 -0.230 -7.712 -13.738 80 HD22 ASN 14 2HD2 ASN 14 -1.212 -6.864 -14.879 81 H TRP 15 H TRP 15 -0.153 -7.748 -9.084 82 HA TRP 15 HA TRP 15 -1.981 -9.115 -7.448 83 HB2 TRP 15 1HB TRP 15 0.420 -9.743 -7.811 84 HB3 TRP 15 2HB TRP 15 0.876 -8.409 -6.755 85 HD1 TRP 15 HD TRP 15 -0.475 -11.949 -6.685 86 HE1 TRP 15 1HE TRP 15 -0.576 -12.766 -4.246 87 HE3 TRP 15 3HE TRP 15 0.517 -7.533 -4.308 88 HZ2 TRP 15 2HZ TRP 15 -0.276 -11.681 -1.657 89 HZ3 TRP 15 3HZ TRP 15 0.592 -7.508 -1.849 90 HH2 TRP 15 HH TRP 15 0.203 -9.540 -0.553 91 H VAL 16 H VAL 16 0.099 -6.329 -6.641 92 HA VAL 16 HA VAL 16 -0.676 -5.782 -4.103 93 HB VAL 16 HB VAL 16 -0.262 -3.751 -6.300 94 HG11 VAL 16 1HG1 VAL 16 0.502 -2.726 -3.788 95 HG12 VAL 16 2HG1 VAL 16 -0.812 -2.179 -4.832 96 HG13 VAL 16 3HG1 VAL 16 -1.116 -3.400 -3.596 97 HG21 VAL 16 1HG2 VAL 16 1.653 -5.196 -6.013 98 HG22 VAL 16 2HG2 VAL 16 2.017 -3.602 -5.353 99 HG23 VAL 16 3HG2 VAL 16 1.627 -4.936 -4.269 100 H ASN 17 H ASN 17 -2.462 -4.939 -7.040 101 HA ASN 17 HA ASN 17 -4.554 -3.580 -5.636 102 HB2 ASN 17 1HB ASN 17 -4.073 -4.425 -8.461 103 HB3 ASN 17 2HB ASN 17 -5.716 -4.016 -7.976 104 HD21 ASN 17 1HD2 ASN 17 -2.400 -2.791 -7.883 105 HD22 ASN 17 2HD2 ASN 17 -2.825 -1.126 -8.056 106 H ARG 18 H ARG 18 -3.980 -6.851 -6.723 107 HA ARG 18 HA ARG 18 -6.633 -7.805 -6.481 108 HB2 ARG 18 1HB ARG 18 -4.531 -8.878 -7.607 109 HB3 ARG 18 2HB ARG 18 -4.247 -9.556 -6.009 110 HG2 ARG 18 1HG ARG 18 -5.452 -11.242 -6.951 111 HG3 ARG 18 2HG ARG 18 -6.761 -10.295 -6.240 112 HD2 ARG 18 1HD ARG 18 -5.870 -9.711 -9.028 113 HD3 ARG 18 2HD ARG 18 -6.899 -11.110 -8.725 114 HE ARG 18 HE ARG 18 -7.726 -8.420 -8.819 115 HH11 ARG 18 2HH1 ARG 18 -8.223 -11.342 -6.993 116 HH12 ARG 18 1HH1 ARG 18 -9.837 -10.927 -6.520 117 HH21 ARG 18 2HH2 ARG 18 -9.850 -7.861 -8.202 118 HH22 ARG 18 1HH2 ARG 18 -10.762 -8.947 -7.209 119 H THR 19 H THR 19 -3.837 -8.274 -4.313 120 HA THR 19 HA THR 19 -5.107 -9.522 -2.221 121 HB THR 19 HB THR 19 -2.910 -7.460 -1.959 122 HG1 THR 19 1HG THR 19 -2.114 -9.014 -3.285 123 HG21 THR 19 1HG2 THR 19 -3.245 -7.820 0.234 124 HG22 THR 19 2HG2 THR 19 -2.490 -9.387 -0.057 125 HG23 THR 19 3HG2 THR 19 -4.247 -9.240 -0.059 126 H LEU 20 H LEU 20 -4.906 -6.053 -2.880 127 HA LEU 20 HA LEU 20 -6.045 -5.104 -0.518 128 HB2 LEU 20 1HB LEU 20 -5.968 -4.054 -3.323 129 HB3 LEU 20 2HB LEU 20 -6.836 -3.188 -2.057 130 HG LEU 20 HG LEU 20 -3.933 -3.900 -1.768 131 HD11 LEU 20 1HD1 LEU 20 -4.800 -1.211 -2.720 132 HD12 LEU 20 2HD1 LEU 20 -4.578 -2.516 -3.885 133 HD13 LEU 20 3HD1 LEU 20 -3.233 -2.008 -2.865 134 HD21 LEU 20 1HD2 LEU 20 -5.075 -1.436 -0.641 135 HD22 LEU 20 2HD2 LEU 20 -3.977 -2.615 0.078 136 HD23 LEU 20 3HD2 LEU 20 -5.711 -2.938 0.031 137 H SER 21 H SER 21 -7.580 -6.133 -3.541 138 HA SER 21 HA SER 21 -10.224 -5.477 -2.775 139 HB2 SER 21 1HB SER 21 -9.705 -5.792 -5.112 140 HB3 SER 21 2HB SER 21 -9.172 -7.448 -4.817 141 HG SER 21 HG SER 21 -11.172 -7.885 -5.326 142 H GLU 22 H GLU 22 -8.399 -8.523 -2.680 143 HA GLU 22 HA GLU 22 -10.172 -10.371 -1.916 144 HB2 GLU 22 1HB GLU 22 -7.401 -9.812 -0.961 145 HB3 GLU 22 2HB GLU 22 -8.329 -11.059 -0.139 146 HG2 GLU 22 1HG GLU 22 -8.756 -11.870 -2.616 147 HG3 GLU 22 2HG GLU 22 -7.249 -11.002 -2.900 148 H ALA 23 H ALA 23 -9.078 -7.703 0.093 149 HA ALA 23 HA ALA 23 -10.797 -8.603 2.288 150 HB1 ALA 23 1HB ALA 23 -9.652 -6.430 3.314 151 HB2 ALA 23 2HB ALA 23 -8.862 -8.006 3.312 152 HB3 ALA 23 3HB ALA 23 -8.448 -6.811 2.083 153 H GLY 24 H GLY 24 -10.411 -6.017 -0.054 154 HA2 GLY 24 1HA GLY 24 -12.311 -4.831 -0.892 155 HA3 GLY 24 2HA GLY 24 -13.104 -5.076 0.657 156 H LYS 25 H LYS 25 -10.021 -3.655 -0.442 157 HA LYS 25 HA LYS 25 -10.409 -1.473 1.465 158 HB2 LYS 25 1HB LYS 25 -8.005 -2.132 -0.247 159 HB3 LYS 25 2HB LYS 25 -8.069 -0.922 1.028 160 HG2 LYS 25 1HG LYS 25 -8.551 -3.849 1.514 161 HG3 LYS 25 2HG LYS 25 -6.962 -3.090 1.635 162 HD2 LYS 25 1HD LYS 25 -7.768 -1.608 3.374 163 HD3 LYS 25 2HD LYS 25 -9.401 -2.257 3.206 164 HE2 LYS 25 1HE LYS 25 -7.825 -3.117 5.106 165 HE3 LYS 25 2HE LYS 25 -8.863 -4.243 4.231 166 HZ1 LYS 25 1HZ LYS 25 -5.965 -3.774 3.803 167 HZ2 LYS 25 2HZ LYS 25 -6.926 -4.697 2.761 168 HZ3 LYS 25 3HZ LYS 25 -6.704 -5.189 4.364 169 H SER 26 H SER 26 -10.119 0.737 0.822 170 HA SER 26 HA SER 26 -11.197 1.237 -1.846 171 HB2 SER 26 1HB SER 26 -12.116 2.246 0.370 172 HB3 SER 26 2HB SER 26 -10.755 3.360 0.236 173 HG SER 26 HG SER 26 -11.738 4.357 -1.335 174 H THR 27 H THR 27 -8.223 1.046 -0.435 175 HA THR 27 HA THR 27 -7.016 3.276 -1.863 176 HB THR 27 HB THR 27 -4.865 2.308 -0.879 177 HG1 THR 27 1HG THR 27 -6.186 0.239 -0.414 178 HG21 THR 27 1HG2 THR 27 -7.066 3.203 0.986 179 HG22 THR 27 2HG2 THR 27 -5.969 4.251 0.085 180 HG23 THR 27 3HG2 THR 27 -5.344 3.210 1.364 181 H SER 28 H SER 28 -5.154 2.926 -3.275 182 HA SER 28 HA SER 28 -4.514 0.412 -4.375 183 HB2 SER 28 1HB SER 28 -6.644 2.003 -5.767 184 HB3 SER 28 2HB SER 28 -5.526 1.017 -6.709 185 HG SER 28 HG SER 28 -7.605 0.049 -5.892 186 H ILE 29 H ILE 29 -3.209 0.653 -6.427 187 HA ILE 29 HA ILE 29 -2.031 3.323 -6.709 188 HB ILE 29 HB ILE 29 0.249 2.285 -6.776 189 HG12 ILE 29 1HG1 ILE 29 -0.837 -0.021 -5.217 190 HG13 ILE 29 2HG1 ILE 29 -0.920 -0.082 -6.974 191 HG21 ILE 29 1HG2 ILE 29 0.330 3.212 -4.761 192 HG22 ILE 29 2HG2 ILE 29 -1.390 2.917 -4.513 193 HG23 ILE 29 3HG2 ILE 29 -0.212 1.681 -4.074 194 HD11 ILE 29 1HD1 ILE 29 1.066 -1.199 -6.155 195 HD12 ILE 29 2HD1 ILE 29 1.499 0.232 -7.091 196 HD13 ILE 29 3HD1 ILE 29 1.574 0.274 -5.330 197 H GLN 30 H GLN 30 -0.264 3.149 -8.554 198 HA GLN 30 HA GLN 30 -1.387 1.518 -10.733 199 HB2 GLN 30 1HB GLN 30 -0.722 4.435 -10.673 200 HB3 GLN 30 2HB GLN 30 -0.563 3.546 -12.182 201 HG2 GLN 30 1HG GLN 30 -2.989 2.761 -11.645 202 HG3 GLN 30 2HG GLN 30 -3.010 4.187 -10.608 203 HE21 GLN 30 1HE2 GLN 30 -1.897 6.136 -11.847 204 HE22 GLN 30 2HE2 GLN 30 -2.572 6.437 -13.409 205 H SER 31 H SER 31 1.439 3.158 -9.413 206 HA SER 31 HA SER 31 3.170 1.095 -10.420 207 HB2 SER 31 1HB SER 31 4.485 2.349 -11.913 208 HB3 SER 31 2HB SER 31 2.833 2.799 -12.332 209 HG SER 31 HG SER 31 3.145 4.647 -10.928 210 H PHE 32 H PHE 32 5.590 1.935 -10.004 211 HA PHE 32 HA PHE 32 5.644 2.562 -7.183 212 HB2 PHE 32 1HB PHE 32 8.074 2.207 -8.920 213 HB3 PHE 32 2HB PHE 32 7.889 1.860 -7.204 214 HD1 PHE 32 1HD PHE 32 5.878 0.088 -6.766 215 HD2 PHE 32 2HD PHE 32 8.255 0.385 -10.285 216 HE1 PHE 32 1HE PHE 32 5.385 -2.264 -7.293 217 HE2 PHE 32 2HE PHE 32 7.765 -1.966 -10.818 218 HZ PHE 32 HZ PHE 32 6.327 -3.294 -9.322 219 H LYS 33 H LYS 33 5.121 4.522 -9.567 220 HA LYS 33 HA LYS 33 6.974 6.609 -8.619 221 HB2 LYS 33 1HB LYS 33 5.733 6.228 -11.346 222 HB3 LYS 33 2HB LYS 33 6.563 7.699 -10.855 223 HG2 LYS 33 1HG LYS 33 8.572 6.233 -10.367 224 HG3 LYS 33 2HG LYS 33 7.713 4.950 -11.223 225 HD2 LYS 33 1HD LYS 33 8.065 7.635 -12.497 226 HD3 LYS 33 2HD LYS 33 9.386 6.464 -12.517 227 HE2 LYS 33 1HE LYS 33 8.019 4.857 -13.660 228 HE3 LYS 33 2HE LYS 33 6.593 5.878 -13.487 229 HZ1 LYS 33 1HZ LYS 33 7.714 7.543 -14.885 230 HZ2 LYS 33 2HZ LYS 33 7.462 6.082 -15.698 231 HZ3 LYS 33 3HZ LYS 33 9.002 6.472 -15.118 232 H ASP 34 H ASP 34 3.689 5.700 -9.262 233 HA ASP 34 HA ASP 34 2.270 7.994 -9.402 234 HB2 ASP 34 1HB ASP 34 1.516 5.496 -9.044 235 HB3 ASP 34 2HB ASP 34 1.385 5.994 -7.359 236 H LYS 35 H LYS 35 1.261 9.411 -7.879 237 HA LYS 35 HA LYS 35 3.021 10.036 -5.638 238 HB2 LYS 35 1HB LYS 35 0.702 11.603 -6.782 239 HB3 LYS 35 2HB LYS 35 1.826 12.174 -5.556 240 HG2 LYS 35 1HG LYS 35 2.814 11.285 -8.236 241 HG3 LYS 35 2HG LYS 35 2.162 12.908 -8.000 242 HD2 LYS 35 1HD LYS 35 3.884 13.543 -6.608 243 HD3 LYS 35 2HD LYS 35 4.233 11.886 -6.110 244 HE2 LYS 35 1HE LYS 35 6.019 12.682 -7.515 245 HE3 LYS 35 2HE LYS 35 5.117 11.436 -8.377 246 HZ1 LYS 35 1HZ LYS 35 4.076 13.042 -9.719 247 HZ2 LYS 35 2HZ LYS 35 5.709 13.479 -9.688 248 HZ3 LYS 35 3HZ LYS 35 4.589 14.327 -8.745 249 H THR 36 H THR 36 1.050 7.784 -5.642 250 HA THR 36 HA THR 36 -0.723 8.650 -3.464 251 HB THR 36 HB THR 36 -2.104 6.772 -3.906 252 HG1 THR 36 1HG THR 36 -0.244 5.817 -5.829 253 HG21 THR 36 1HG2 THR 36 -1.927 6.979 -6.674 254 HG22 THR 36 2HG2 THR 36 -1.315 8.521 -6.077 255 HG23 THR 36 3HG2 THR 36 -2.921 7.968 -5.606 256 H ILE 37 H ILE 37 2.093 6.841 -4.126 257 HA ILE 37 HA ILE 37 1.905 5.039 -1.902 258 HB ILE 37 HB ILE 37 4.406 5.821 -3.396 259 HG12 ILE 37 1HG1 ILE 37 2.749 3.408 -4.054 260 HG13 ILE 37 2HG1 ILE 37 2.352 4.967 -4.767 261 HG21 ILE 37 1HG2 ILE 37 3.803 3.176 -2.121 262 HG22 ILE 37 2HG2 ILE 37 5.364 3.865 -2.565 263 HG23 ILE 37 3HG2 ILE 37 4.474 4.513 -1.187 264 HD11 ILE 37 1HD1 ILE 37 4.027 4.837 -6.221 265 HD12 ILE 37 2HD1 ILE 37 5.172 4.304 -4.990 266 HD13 ILE 37 3HD1 ILE 37 4.114 3.132 -5.777 267 H SER 38 H SER 38 3.159 8.245 -2.443 268 HA SER 38 HA SER 38 4.899 8.463 -0.263 269 HB2 SER 38 1HB SER 38 4.650 10.873 -0.506 270 HB3 SER 38 2HB SER 38 4.734 10.126 -2.101 271 HG SER 38 HG SER 38 2.230 10.551 -0.909 272 H SER 39 H SER 39 1.546 8.066 -0.315 273 HA SER 39 HA SER 39 1.090 9.393 2.236 274 HB2 SER 39 1HB SER 39 -1.210 9.056 1.866 275 HB3 SER 39 2HB SER 39 -0.563 9.358 0.254 276 HG SER 39 HG SER 39 -0.374 6.926 0.222 277 H SER 40 H SER 40 1.909 6.304 1.041 278 HA SER 40 HA SER 40 2.191 4.266 2.013 279 HB2 SER 40 1HB SER 40 2.104 5.806 4.618 280 HB3 SER 40 2HB SER 40 2.823 4.217 4.354 281 HG SER 40 HG SER 40 3.691 6.402 2.820 282 H LEU 41 H LEU 41 -0.528 5.337 1.572 283 HA LEU 41 HA LEU 41 -2.092 4.150 3.720 284 HB2 LEU 41 1HB LEU 41 -2.951 5.500 1.165 285 HB3 LEU 41 2HB LEU 41 -4.033 4.959 2.447 286 HG LEU 41 HG LEU 41 -1.895 7.034 2.881 287 HD11 LEU 41 1HD1 LEU 41 -3.182 8.151 1.340 288 HD12 LEU 41 2HD1 LEU 41 -4.016 8.558 2.839 289 HD13 LEU 41 3HD1 LEU 41 -4.658 7.296 1.788 290 HD21 LEU 41 1HD2 LEU 41 -2.679 5.990 4.902 291 HD22 LEU 41 2HD2 LEU 41 -4.359 6.222 4.419 292 HD23 LEU 41 3HD2 LEU 41 -3.350 7.618 4.801 293 H ALA 42 H ALA 42 -1.163 3.507 0.406 294 HA ALA 42 HA ALA 42 -2.976 1.309 0.056 295 HB1 ALA 42 1HB ALA 42 -1.549 0.869 -1.984 296 HB2 ALA 42 2HB ALA 42 -2.339 2.445 -1.915 297 HB3 ALA 42 3HB ALA 42 -0.623 2.301 -1.533 298 H VAL 43 H VAL 43 0.297 1.723 1.194 299 HA VAL 43 HA VAL 43 1.103 -0.993 0.989 300 HB VAL 43 HB VAL 43 2.137 1.175 2.822 301 HG11 VAL 43 1HG1 VAL 43 2.619 -1.531 2.985 302 HG12 VAL 43 2HG1 VAL 43 3.981 -0.934 2.035 303 HG13 VAL 43 3HG1 VAL 43 3.651 -0.254 3.629 304 HG21 VAL 43 1HG2 VAL 43 2.607 0.500 -0.015 305 HG22 VAL 43 2HG2 VAL 43 2.715 2.052 0.816 306 HG23 VAL 43 3HG2 VAL 43 4.034 0.889 0.946 307 H VAL 44 H VAL 44 0.020 0.954 3.774 308 HA VAL 44 HA VAL 44 0.024 -1.107 5.661 309 HB VAL 44 HB VAL 44 -1.786 1.311 5.572 310 HG11 VAL 44 1HG1 VAL 44 -2.009 -0.855 7.224 311 HG12 VAL 44 2HG1 VAL 44 -0.990 0.232 8.170 312 HG13 VAL 44 3HG1 VAL 44 -2.569 0.775 7.600 313 HG21 VAL 44 1HG2 VAL 44 -0.093 2.286 7.115 314 HG22 VAL 44 2HG2 VAL 44 0.943 0.897 6.788 315 HG23 VAL 44 3HG2 VAL 44 0.512 2.002 5.483 316 H ASP 45 H ASP 45 -2.437 -0.096 3.354 317 HA ASP 45 HA ASP 45 -4.510 -1.751 4.380 318 HB2 ASP 45 1HB ASP 45 -4.101 -0.386 1.721 319 HB3 ASP 45 2HB ASP 45 -5.528 -1.354 2.077 320 H LEU 46 H LEU 46 -1.718 -2.388 2.541 321 HA LEU 46 HA LEU 46 -2.751 -4.744 1.225 322 HB2 LEU 46 1HB LEU 46 -0.951 -3.245 0.299 323 HB3 LEU 46 2HB LEU 46 0.125 -3.907 1.528 324 HG LEU 46 HG LEU 46 -0.333 -6.182 0.512 325 HD11 LEU 46 1HD1 LEU 46 -1.184 -6.283 -1.728 326 HD12 LEU 46 2HD1 LEU 46 -1.363 -4.529 -1.787 327 HD13 LEU 46 3HD1 LEU 46 -2.378 -5.483 -0.705 328 HD21 LEU 46 1HD2 LEU 46 1.693 -5.807 -0.309 329 HD22 LEU 46 2HD2 LEU 46 1.403 -4.068 -0.311 330 HD23 LEU 46 3HD2 LEU 46 0.960 -5.038 -1.716 331 H ILE 47 H ILE 47 -0.464 -4.054 3.857 332 HA ILE 47 HA ILE 47 0.221 -6.675 4.496 333 HB ILE 47 HB ILE 47 -0.016 -4.282 6.321 334 HG12 ILE 47 1HG1 ILE 47 2.570 -5.446 5.387 335 HG13 ILE 47 2HG1 ILE 47 1.639 -4.472 4.254 336 HG21 ILE 47 1HG2 ILE 47 0.640 -7.075 6.866 337 HG22 ILE 47 2HG2 ILE 47 1.862 -5.936 7.428 338 HG23 ILE 47 3HG2 ILE 47 0.193 -5.777 7.973 339 HD11 ILE 47 1HD1 ILE 47 2.486 -3.543 6.985 340 HD12 ILE 47 2HD1 ILE 47 3.366 -3.208 5.493 341 HD13 ILE 47 3HD1 ILE 47 1.733 -2.580 5.713 342 H ASP 48 H ASP 48 -2.461 -4.684 5.685 343 HA ASP 48 HA ASP 48 -3.492 -6.322 7.638 344 HB2 ASP 48 1HB ASP 48 -4.447 -4.155 7.289 345 HB3 ASP 48 2HB ASP 48 -4.924 -4.564 5.644 346 H ALA 49 H ALA 49 -4.433 -6.345 4.197 347 HA ALA 49 HA ALA 49 -6.206 -8.426 4.186 348 HB1 ALA 49 1HB ALA 49 -5.173 -8.909 1.837 349 HB2 ALA 49 2HB ALA 49 -6.003 -7.383 2.144 350 HB3 ALA 49 3HB ALA 49 -4.241 -7.448 2.164 351 H ILE 50 H ILE 50 -2.669 -8.680 3.884 352 HA ILE 50 HA ILE 50 -2.597 -11.496 3.702 353 HB ILE 50 HB ILE 50 -0.445 -9.623 4.696 354 HG12 ILE 50 1HG1 ILE 50 -0.669 -10.822 1.942 355 HG13 ILE 50 2HG1 ILE 50 -1.428 -9.285 2.340 356 HG21 ILE 50 1HG2 ILE 50 0.469 -12.019 3.382 357 HG22 ILE 50 2HG2 ILE 50 0.881 -11.384 4.974 358 HG23 ILE 50 3HG2 ILE 50 -0.540 -12.409 4.774 359 HD11 ILE 50 1HD1 ILE 50 0.576 -8.618 1.445 360 HD12 ILE 50 2HD1 ILE 50 0.947 -8.639 3.170 361 HD13 ILE 50 3HD1 ILE 50 1.462 -9.975 2.140 362 H GLN 51 H GLN 51 -1.764 -9.382 6.456 363 HA GLN 51 HA GLN 51 -2.614 -11.554 8.252 364 HB2 GLN 51 1HB GLN 51 -0.208 -11.509 8.306 365 HB3 GLN 51 2HB GLN 51 -0.197 -9.764 8.521 366 HG2 GLN 51 1HG GLN 51 -0.721 -9.888 10.731 367 HG3 GLN 51 2HG GLN 51 -1.613 -11.397 10.549 368 HE21 GLN 51 1HE2 GLN 51 1.234 -9.987 11.580 369 HE22 GLN 51 2HE2 GLN 51 2.188 -11.417 11.758 370 HA PRO 52 HA PRO 52 -5.033 -7.759 9.237 371 HB2 PRO 52 1HB PRO 52 -7.327 -9.105 9.777 372 HB3 PRO 52 2HB PRO 52 -6.860 -8.621 8.143 373 HG2 PRO 52 1HG PRO 52 -6.573 -11.281 9.485 374 HG3 PRO 52 2HG PRO 52 -7.101 -10.913 7.833 375 HD2 PRO 52 1HD PRO 52 -4.590 -11.748 8.407 376 HD3 PRO 52 2HD PRO 52 -4.944 -10.635 7.070 377 H GLY 53 H GLY 53 -6.228 -7.227 11.249 378 HA2 GLY 53 1HA GLY 53 -6.696 -7.513 13.531 379 HA3 GLY 53 2HA GLY 53 -5.762 -9.002 13.513 380 H CYS 54 H CYS 54 -3.578 -7.426 12.071 381 HA CYS 54 HA CYS 54 -2.312 -6.464 14.521 382 HB2 CYS 54 1HB CYS 54 -0.227 -6.687 13.382 383 HB3 CYS 54 2HB CYS 54 -1.171 -8.120 12.995 384 HG CYS 54 HG CYS 54 -0.828 -7.902 10.470 385 H ILE 55 H ILE 55 -3.198 -5.367 11.289 386 HA ILE 55 HA ILE 55 -2.006 -2.798 11.504 387 HB ILE 55 HB ILE 55 -4.275 -3.712 9.733 388 HG12 ILE 55 1HG1 ILE 55 -2.134 -4.957 9.455 389 HG13 ILE 55 2HG1 ILE 55 -2.589 -4.033 8.027 390 HG21 ILE 55 1HG2 ILE 55 -4.036 -1.758 8.485 391 HG22 ILE 55 2HG2 ILE 55 -3.952 -1.200 10.155 392 HG23 ILE 55 3HG2 ILE 55 -2.474 -1.375 9.209 393 HD11 ILE 55 1HD1 ILE 55 -0.141 -4.012 9.281 394 HD12 ILE 55 2HD1 ILE 55 -0.722 -2.837 8.100 395 HD13 ILE 55 3HD1 ILE 55 -0.899 -2.515 9.825 396 H ASN 56 H ASN 56 -2.678 -1.035 12.533 397 HA ASN 56 HA ASN 56 -5.477 -0.939 13.454 398 HB2 ASN 56 1HB ASN 56 -3.703 -1.268 15.245 399 HB3 ASN 56 2HB ASN 56 -3.144 0.358 14.865 400 HD21 ASN 56 1HD2 ASN 56 -3.757 0.275 17.301 401 HD22 ASN 56 2HD2 ASN 56 -5.339 0.866 17.667 402 H TYR 57 H TYR 57 -6.201 0.261 11.691 403 HA TYR 57 HA TYR 57 -4.998 2.499 10.574 404 HB2 TYR 57 1HB TYR 57 -7.912 1.758 10.839 405 HB3 TYR 57 2HB TYR 57 -7.358 3.142 9.905 406 HD1 TYR 57 2HD TYR 57 -5.094 2.268 8.434 407 HD2 TYR 57 1HD TYR 57 -8.585 0.054 9.443 408 HE1 TYR 57 2HE TYR 57 -4.726 0.811 6.487 409 HE2 TYR 57 1HE TYR 57 -8.225 -1.410 7.499 410 HH TYR 57 HH TYR 57 -6.930 -1.040 5.131 411 H ASP 58 H ASP 58 -7.073 2.227 13.405 412 HA ASP 58 HA ASP 58 -7.863 4.718 13.991 413 HB2 ASP 58 1HB ASP 58 -7.893 2.579 15.460 414 HB3 ASP 58 2HB ASP 58 -6.378 3.196 16.116 415 H LEU 59 H LEU 59 -4.544 3.609 14.000 416 HA LEU 59 HA LEU 59 -3.584 6.149 15.055 417 HB2 LEU 59 1HB LEU 59 -1.975 3.789 14.101 418 HB3 LEU 59 2HB LEU 59 -1.409 5.139 15.082 419 HG LEU 59 HG LEU 59 -3.483 3.174 16.034 420 HD11 LEU 59 1HD1 LEU 59 -0.487 3.081 16.245 421 HD12 LEU 59 2HD1 LEU 59 -1.585 1.833 15.656 422 HD13 LEU 59 3HD1 LEU 59 -1.549 2.237 17.372 423 HD21 LEU 59 1HD2 LEU 59 -2.021 5.480 17.189 424 HD22 LEU 59 2HD2 LEU 59 -2.304 4.088 18.235 425 HD23 LEU 59 3HD2 LEU 59 -3.666 4.917 17.482 426 H VAL 60 H VAL 60 -3.542 4.278 12.063 427 HA VAL 60 HA VAL 60 -1.814 5.896 10.573 428 HB VAL 60 HB VAL 60 -4.185 4.334 9.538 429 HG11 VAL 60 1HG1 VAL 60 -2.930 4.254 7.439 430 HG12 VAL 60 2HG1 VAL 60 -3.289 5.916 7.910 431 HG13 VAL 60 3HG1 VAL 60 -1.670 5.260 8.152 432 HG21 VAL 60 1HG2 VAL 60 -1.438 3.528 10.370 433 HG22 VAL 60 2HG2 VAL 60 -2.976 2.700 10.612 434 HG23 VAL 60 3HG2 VAL 60 -2.209 2.689 9.024 435 H LYS 61 H LYS 61 -2.134 7.625 9.198 436 HA LYS 61 HA LYS 61 -4.547 9.197 9.734 437 HB2 LYS 61 1HB LYS 61 -1.764 9.854 8.864 438 HB3 LYS 61 2HB LYS 61 -3.067 10.955 8.433 439 HG2 LYS 61 1HG LYS 61 -2.853 10.074 11.261 440 HG3 LYS 61 2HG LYS 61 -1.683 11.247 10.653 441 HD2 LYS 61 1HD LYS 61 -3.612 12.626 9.850 442 HD3 LYS 61 2HD LYS 61 -4.688 11.503 10.685 443 HE2 LYS 61 1HE LYS 61 -4.428 13.150 12.272 444 HE3 LYS 61 2HE LYS 61 -3.162 12.015 12.738 445 HZ1 LYS 61 1HZ LYS 61 -1.880 13.835 12.679 446 HZ2 LYS 61 2HZ LYS 61 -2.938 14.700 11.683 447 HZ3 LYS 61 3HZ LYS 61 -1.861 13.585 11.006 448 H SER 62 H SER 62 -5.199 10.647 7.802 449 HA SER 62 HA SER 62 -4.836 9.595 5.174 450 HB2 SER 62 1HB SER 62 -7.174 8.876 4.802 451 HB3 SER 62 2HB SER 62 -6.363 7.877 6.008 452 HG SER 62 HG SER 62 -7.807 10.117 6.865 453 H GLY 63 H GLY 63 -5.905 10.855 3.549 454 HA2 GLY 63 1HA GLY 63 -7.336 12.670 2.902 455 HA3 GLY 63 2HA GLY 63 -7.193 13.314 4.530 456 H ASN 64 H ASN 64 -5.556 14.704 5.018 457 HA ASN 64 HA ASN 64 -3.788 15.442 2.782 458 HB2 ASN 64 1HB ASN 64 -4.790 17.153 5.069 459 HB3 ASN 64 2HB ASN 64 -3.698 17.693 3.797 460 HD21 ASN 64 1HD2 ASN 64 -4.604 17.145 1.523 461 HD22 ASN 64 2HD2 ASN 64 -6.250 17.605 1.269 462 H LEU 65 H LEU 65 -2.119 14.017 3.306 463 HA LEU 65 HA LEU 65 -0.918 14.162 5.950 464 HB2 LEU 65 1HB LEU 65 0.088 12.611 3.580 465 HB3 LEU 65 2HB LEU 65 0.441 12.338 5.285 466 HG LEU 65 HG LEU 65 -2.248 11.903 3.987 467 HD11 LEU 65 1HD1 LEU 65 -0.384 10.358 3.261 468 HD12 LEU 65 2HD1 LEU 65 -1.792 9.589 3.992 469 HD13 LEU 65 3HD1 LEU 65 -0.317 9.803 4.934 470 HD21 LEU 65 1HD2 LEU 65 -1.377 10.848 6.646 471 HD22 LEU 65 2HD2 LEU 65 -3.007 11.105 6.022 472 HD23 LEU 65 3HD2 LEU 65 -2.018 12.485 6.503 473 H THR 66 H THR 66 0.414 15.789 6.371 474 HA THR 66 HA THR 66 1.815 17.190 4.279 475 HB THR 66 HB THR 66 0.866 18.340 6.294 476 HG1 THR 66 1HG THR 66 3.663 18.758 6.204 477 HG21 THR 66 1HG2 THR 66 2.227 16.375 7.697 478 HG22 THR 66 2HG2 THR 66 1.476 17.816 8.382 479 HG23 THR 66 3HG2 THR 66 3.189 17.829 7.963 480 H GLU 67 H GLU 67 4.198 17.738 4.685 481 HA GLU 67 HA GLU 67 5.862 15.731 4.141 482 HB2 GLU 67 1HB GLU 67 6.408 18.096 5.929 483 HB3 GLU 67 2HB GLU 67 7.675 17.001 5.396 484 HG2 GLU 67 1HG GLU 67 7.434 17.630 3.154 485 HG3 GLU 67 2HG GLU 67 5.874 18.397 3.450 486 H ASP 68 H ASP 68 4.796 16.568 7.404 487 HA ASP 68 HA ASP 68 6.394 14.584 8.697 488 HB2 ASP 68 1HB ASP 68 5.235 16.766 9.639 489 HB3 ASP 68 2HB ASP 68 3.903 15.657 9.953 490 H ASP 69 H ASP 69 2.839 14.814 8.595 491 HA ASP 69 HA ASP 69 2.088 12.376 9.392 492 HB2 ASP 69 1HB ASP 69 0.987 13.862 6.999 493 HB3 ASP 69 2HB ASP 69 0.185 12.494 7.767 494 H LYS 70 H LYS 70 2.755 13.024 5.945 495 HA LYS 70 HA LYS 70 2.568 10.550 4.879 496 HB2 LYS 70 1HB LYS 70 4.545 12.747 4.338 497 HB3 LYS 70 2HB LYS 70 4.598 11.246 3.423 498 HG2 LYS 70 1HG LYS 70 2.148 11.666 2.891 499 HG3 LYS 70 2HG LYS 70 2.411 13.297 3.515 500 HD2 LYS 70 1HD LYS 70 4.438 13.294 1.873 501 HD3 LYS 70 2HD LYS 70 3.555 11.985 1.083 502 HE2 LYS 70 1HE LYS 70 2.688 13.765 -0.050 503 HE3 LYS 70 2HE LYS 70 1.550 13.694 1.294 504 HZ1 LYS 70 1HZ LYS 70 3.917 15.479 1.112 505 HZ2 LYS 70 2HZ LYS 70 2.851 15.400 2.423 506 HZ3 LYS 70 3HZ LYS 70 2.303 15.948 0.919 507 H HIS 71 H HIS 71 5.449 11.813 6.539 508 HA HIS 71 HA HIS 71 6.995 9.470 6.278 509 HB2 HIS 71 1HB HIS 71 7.124 11.930 7.953 510 HB3 HIS 71 2HB HIS 71 8.087 10.546 8.461 511 HD1 HIS 71 1HD HIS 71 9.484 9.509 6.186 512 HD2 HIS 71 2HD HIS 71 8.583 13.560 6.387 513 HE1 HIS 71 1HE HIS 71 11.088 10.634 4.609 514 HE2 HIS 71 2HE HIS 71 10.580 13.093 4.812 515 H ASN 72 H ASN 72 4.753 10.576 8.770 516 HA ASN 72 HA ASN 72 5.287 8.579 10.674 517 HB2 ASN 72 1HB ASN 72 2.958 10.387 10.130 518 HB3 ASN 72 2HB ASN 72 2.804 9.107 11.330 519 HD21 ASN 72 1HD2 ASN 72 2.826 12.048 11.583 520 HD22 ASN 72 2HD2 ASN 72 4.068 12.398 12.732 521 H ASN 73 H ASN 73 2.863 8.736 8.081 522 HA ASN 73 HA ASN 73 1.593 6.303 8.603 523 HB2 ASN 73 1HB ASN 73 1.989 7.774 5.991 524 HB3 ASN 73 2HB ASN 73 0.914 6.394 6.189 525 HD21 ASN 73 1HD2 ASN 73 -0.912 7.561 5.673 526 HD22 ASN 73 2HD2 ASN 73 -1.589 8.747 6.731 527 H ALA 74 H ALA 74 4.279 7.021 6.383 528 HA ALA 74 HA ALA 74 4.667 4.464 5.368 529 HB1 ALA 74 1HB ALA 74 6.064 5.740 4.192 530 HB2 ALA 74 2HB ALA 74 6.177 6.942 5.479 531 HB3 ALA 74 3HB ALA 74 7.215 5.516 5.510 532 H LYS 75 H LYS 75 6.501 5.987 8.027 533 HA LYS 75 HA LYS 75 8.097 3.991 8.857 534 HB2 LYS 75 1HB LYS 75 6.479 5.950 10.458 535 HB3 LYS 75 2HB LYS 75 7.518 4.783 11.265 536 HG2 LYS 75 1HG LYS 75 9.387 5.668 9.774 537 HG3 LYS 75 2HG LYS 75 8.295 7.007 9.410 538 HD2 LYS 75 1HD LYS 75 9.053 6.197 12.211 539 HD3 LYS 75 2HD LYS 75 9.924 7.420 11.284 540 HE2 LYS 75 1HE LYS 75 7.918 8.763 11.112 541 HE3 LYS 75 2HE LYS 75 6.979 7.514 11.927 542 HZ1 LYS 75 1HZ LYS 75 9.103 8.091 13.595 543 HZ2 LYS 75 2HZ LYS 75 7.481 8.511 13.824 544 HZ3 LYS 75 3HZ LYS 75 8.534 9.591 13.057 545 H TYR 76 H TYR 76 4.710 4.319 9.924 546 HA TYR 76 HA TYR 76 4.554 2.009 11.449 547 HB2 TYR 76 1HB TYR 76 2.825 3.878 11.182 548 HB3 TYR 76 2HB TYR 76 2.272 3.010 9.754 549 HD1 TYR 76 1HD TYR 76 3.229 2.055 13.246 550 HD2 TYR 76 2HD TYR 76 0.350 1.804 10.123 551 HE1 TYR 76 1HE TYR 76 1.819 0.627 14.669 552 HE2 TYR 76 2HE TYR 76 -1.068 0.377 11.538 553 HH TYR 76 HH TYR 76 -0.581 0.010 14.854 554 H ALA 77 H ALA 77 3.536 2.397 8.051 555 HA ALA 77 HA ALA 77 2.862 -0.216 7.500 556 HB1 ALA 77 1HB ALA 77 4.298 1.101 5.313 557 HB2 ALA 77 2HB ALA 77 2.646 0.486 5.381 558 HB3 ALA 77 3HB ALA 77 3.022 2.077 6.041 559 H VAL 78 H VAL 78 6.048 1.236 7.692 560 HA VAL 78 HA VAL 78 7.492 -0.884 6.494 561 HB VAL 78 HB VAL 78 8.400 1.187 8.497 562 HG11 VAL 78 1HG1 VAL 78 9.792 -0.934 8.330 563 HG12 VAL 78 2HG1 VAL 78 10.167 -0.428 6.681 564 HG13 VAL 78 3HG1 VAL 78 10.630 0.591 8.044 565 HG21 VAL 78 1HG2 VAL 78 7.574 2.121 6.390 566 HG22 VAL 78 2HG2 VAL 78 9.316 2.341 6.552 567 HG23 VAL 78 3HG2 VAL 78 8.682 1.081 5.494 568 H SER 79 H SER 79 6.887 -0.062 9.906 569 HA SER 79 HA SER 79 8.252 -2.244 11.019 570 HB2 SER 79 1HB SER 79 7.021 -1.756 13.069 571 HB3 SER 79 2HB SER 79 7.533 -0.251 12.306 572 HG SER 79 HG SER 79 5.074 -1.008 12.954 573 H MET 80 H MET 80 4.793 -1.838 10.282 574 HA MET 80 HA MET 80 3.911 -4.327 11.158 575 HB2 MET 80 1HB MET 80 2.874 -2.637 8.877 576 HB3 MET 80 2HB MET 80 2.014 -3.998 9.585 577 HG2 MET 80 1HG MET 80 2.702 -1.378 10.878 578 HG3 MET 80 2HG MET 80 1.104 -2.027 10.518 579 HE1 MET 80 1HE MET 80 1.119 -5.162 12.955 580 HE2 MET 80 2HE MET 80 -0.015 -4.149 12.062 581 HE3 MET 80 3HE MET 80 1.328 -4.924 11.220 582 H ALA 81 H ALA 81 5.051 -3.354 7.936 583 HA ALA 81 HA ALA 81 4.644 -5.703 6.552 584 HB1 ALA 81 1HB ALA 81 5.372 -3.761 5.385 585 HB2 ALA 81 2HB ALA 81 6.874 -3.695 6.307 586 HB3 ALA 81 3HB ALA 81 6.604 -5.002 5.155 587 H ARG 82 H ARG 82 7.772 -4.770 8.002 588 HA ARG 82 HA ARG 82 8.956 -7.293 7.741 589 HB2 ARG 82 1HB ARG 82 10.627 -6.482 9.344 590 HB3 ARG 82 2HB ARG 82 10.258 -5.264 8.131 591 HG2 ARG 82 1HG ARG 82 8.849 -4.080 9.706 592 HG3 ARG 82 2HG ARG 82 9.125 -5.331 10.920 593 HD2 ARG 82 1HD ARG 82 11.642 -4.762 10.507 594 HD3 ARG 82 2HD ARG 82 10.994 -3.249 9.874 595 HE ARG 82 HE ARG 82 10.403 -2.631 12.014 596 HH11 ARG 82 2HH1 ARG 82 11.374 -5.974 11.966 597 HH12 ARG 82 1HH1 ARG 82 11.432 -6.117 13.692 598 HH21 ARG 82 2HH2 ARG 82 10.476 -2.806 14.287 599 HH22 ARG 82 1HH2 ARG 82 10.921 -4.315 15.011 600 H ARG 83 H ARG 83 6.787 -6.012 10.130 601 HA ARG 83 HA ARG 83 7.316 -7.841 12.215 602 HB2 ARG 83 1HB ARG 83 5.084 -5.993 11.521 603 HB3 ARG 83 2HB ARG 83 4.776 -7.243 12.718 604 HG2 ARG 83 1HG ARG 83 6.510 -6.412 14.135 605 HG3 ARG 83 2HG ARG 83 7.050 -5.282 12.892 606 HD2 ARG 83 1HD ARG 83 5.792 -3.880 14.189 607 HD3 ARG 83 2HD ARG 83 4.562 -4.437 13.055 608 HE ARG 83 HE ARG 83 3.503 -5.500 14.783 609 HH11 ARG 83 2HH1 ARG 83 6.742 -4.682 15.761 610 HH12 ARG 83 1HH1 ARG 83 6.497 -5.137 17.415 611 HH21 ARG 83 2HH2 ARG 83 3.168 -6.103 16.957 612 HH22 ARG 83 1HH2 ARG 83 4.464 -5.946 18.094 613 H ILE 84 H ILE 84 4.752 -7.818 9.738 614 HA ILE 84 HA ILE 84 3.664 -10.321 10.443 615 HB ILE 84 HB ILE 84 2.558 -10.277 8.252 616 HG12 ILE 84 1HG1 ILE 84 4.048 -7.710 7.710 617 HG13 ILE 84 2HG1 ILE 84 4.584 -9.265 7.083 618 HG21 ILE 84 1HG2 ILE 84 1.459 -8.003 8.526 619 HG22 ILE 84 2HG2 ILE 84 1.434 -9.071 9.928 620 HG23 ILE 84 3HG2 ILE 84 2.587 -7.738 9.856 621 HD11 ILE 84 1HD1 ILE 84 3.323 -8.793 5.316 622 HD12 ILE 84 2HD1 ILE 84 1.945 -9.184 6.344 623 HD13 ILE 84 3HD1 ILE 84 2.463 -7.508 6.164 624 H GLY 85 H GLY 85 6.507 -9.470 8.735 625 HA2 GLY 85 1HA GLY 85 8.075 -11.425 8.575 626 HA3 GLY 85 2HA GLY 85 6.759 -12.243 7.745 627 H ALA 86 H ALA 86 8.991 -9.511 7.534 628 HA ALA 86 HA ALA 86 9.168 -9.919 4.660 629 HB1 ALA 86 1HB ALA 86 7.332 -8.220 5.150 630 HB2 ALA 86 2HB ALA 86 8.629 -7.143 5.669 631 HB3 ALA 86 3HB ALA 86 8.590 -7.741 4.010 632 H ARG 87 H ARG 87 11.294 -10.315 4.546 633 HA ARG 87 HA ARG 87 13.272 -9.340 6.247 634 HB2 ARG 87 1HB ARG 87 13.676 -11.261 4.839 635 HB3 ARG 87 2HB ARG 87 13.470 -10.291 3.387 636 HG2 ARG 87 1HG ARG 87 15.469 -8.962 4.099 637 HG3 ARG 87 2HG ARG 87 15.715 -10.150 5.380 638 HD2 ARG 87 1HD ARG 87 17.108 -10.691 3.478 639 HD3 ARG 87 2HD ARG 87 15.861 -11.921 3.678 640 HE ARG 87 HE ARG 87 14.964 -11.303 1.657 641 HH11 ARG 87 2HH1 ARG 87 17.264 -8.904 2.693 642 HH12 ARG 87 1HH1 ARG 87 17.255 -8.054 1.183 643 HH21 ARG 87 2HH2 ARG 87 14.943 -10.193 -0.336 644 HH22 ARG 87 1HH2 ARG 87 15.933 -8.788 -0.539 645 H VAL 88 H VAL 88 11.854 -7.946 3.372 646 HA VAL 88 HA VAL 88 13.604 -6.092 2.497 647 HB VAL 88 HB VAL 88 11.407 -6.201 1.538 648 HG11 VAL 88 1HG1 VAL 88 9.507 -6.196 2.705 649 HG12 VAL 88 2HG1 VAL 88 10.510 -6.254 4.156 650 HG13 VAL 88 3HG1 VAL 88 9.937 -4.704 3.540 651 HG21 VAL 88 1HG2 VAL 88 11.187 -3.993 0.999 652 HG22 VAL 88 2HG2 VAL 88 11.339 -3.454 2.672 653 HG23 VAL 88 3HG2 VAL 88 12.773 -3.946 1.771 654 H TYR 89 H TYR 89 14.803 -4.552 3.382 655 HA TYR 89 HA TYR 89 13.917 -3.372 5.933 656 HB2 TYR 89 1HB TYR 89 16.432 -2.904 6.225 657 HB3 TYR 89 2HB TYR 89 15.876 -4.560 6.442 658 HD1 TYR 89 1HD TYR 89 17.570 -2.262 4.087 659 HD2 TYR 89 2HD TYR 89 16.672 -6.307 5.052 660 HE1 TYR 89 1HE TYR 89 19.192 -3.018 2.400 661 HE2 TYR 89 2HE TYR 89 18.292 -7.075 3.368 662 HH TYR 89 HH TYR 89 20.040 -4.769 1.315 663 H ALA 90 H ALA 90 13.190 -2.424 3.306 664 HA ALA 90 HA ALA 90 14.772 -0.252 2.468 665 HB1 ALA 90 1HB ALA 90 12.124 0.377 1.830 666 HB2 ALA 90 2HB ALA 90 13.312 -0.427 0.803 667 HB3 ALA 90 3HB ALA 90 12.214 -1.385 1.798 668 H LEU 91 H LEU 91 14.939 1.805 3.145 669 HA LEU 91 HA LEU 91 14.134 2.575 5.698 670 HB2 LEU 91 1HB LEU 91 14.761 4.421 3.402 671 HB3 LEU 91 2HB LEU 91 14.878 4.789 5.122 672 HG LEU 91 HG LEU 91 16.608 2.810 3.639 673 HD11 LEU 91 1HD1 LEU 91 17.314 4.888 2.875 674 HD12 LEU 91 2HD1 LEU 91 18.369 4.580 4.254 675 HD13 LEU 91 3HD1 LEU 91 16.997 5.675 4.421 676 HD21 LEU 91 1HD2 LEU 91 17.943 3.254 5.874 677 HD22 LEU 91 2HD2 LEU 91 16.693 2.013 5.776 678 HD23 LEU 91 3HD2 LEU 91 16.325 3.581 6.496 679 HA PRO 92 HA PRO 92 9.943 3.837 5.291 680 HB2 PRO 92 1HB PRO 92 9.825 5.729 7.234 681 HB3 PRO 92 2HB PRO 92 9.913 3.998 7.582 682 HG2 PRO 92 1HG PRO 92 12.096 6.047 7.598 683 HG3 PRO 92 2HG PRO 92 11.777 4.744 8.757 684 HD2 PRO 92 1HD PRO 92 13.673 4.551 6.834 685 HD3 PRO 92 2HD PRO 92 12.763 3.144 7.422 686 H GLU 93 H GLU 93 12.556 5.951 4.696 687 HA GLU 93 HA GLU 93 10.950 8.252 4.016 688 HB2 GLU 93 1HB GLU 93 13.862 7.748 3.388 689 HB3 GLU 93 2HB GLU 93 13.030 9.297 3.378 690 HG2 GLU 93 1HG GLU 93 12.995 9.454 5.663 691 HG3 GLU 93 2HG GLU 93 13.082 7.709 5.893 692 H ASP 94 H ASP 94 12.410 5.539 2.372 693 HA ASP 94 HA ASP 94 12.393 6.430 -0.256 694 HB2 ASP 94 1HB ASP 94 12.675 4.217 -0.880 695 HB3 ASP 94 2HB ASP 94 13.194 4.170 0.803 696 H LEU 95 H LEU 95 9.755 5.353 1.767 697 HA LEU 95 HA LEU 95 7.850 5.047 -0.331 698 HB2 LEU 95 1HB LEU 95 7.568 5.404 2.643 699 HB3 LEU 95 2HB LEU 95 6.193 5.170 1.567 700 HG LEU 95 HG LEU 95 8.427 3.204 2.063 701 HD11 LEU 95 1HD1 LEU 95 5.559 2.695 2.670 702 HD12 LEU 95 2HD1 LEU 95 6.504 3.677 3.789 703 HD13 LEU 95 3HD1 LEU 95 7.010 2.029 3.420 704 HD21 LEU 95 1HD2 LEU 95 6.042 3.118 0.229 705 HD22 LEU 95 2HD2 LEU 95 6.927 1.678 0.734 706 HD23 LEU 95 3HD2 LEU 95 7.745 2.938 -0.192 707 H VAL 96 H VAL 96 8.635 7.658 1.929 708 HA VAL 96 HA VAL 96 6.584 9.425 1.339 709 HB VAL 96 HB VAL 96 9.447 9.945 2.118 710 HG11 VAL 96 1HG1 VAL 96 8.243 12.246 2.773 711 HG12 VAL 96 2HG1 VAL 96 9.084 12.002 1.241 712 HG13 VAL 96 3HG1 VAL 96 7.329 11.846 1.319 713 HG21 VAL 96 1HG2 VAL 96 6.959 9.371 3.515 714 HG22 VAL 96 2HG2 VAL 96 8.625 9.279 4.087 715 HG23 VAL 96 3HG2 VAL 96 7.766 10.819 4.117 716 H GLU 97 H GLU 97 9.810 9.269 -0.173 717 HA GLU 97 HA GLU 97 9.075 11.177 -2.199 718 HB2 GLU 97 1HB GLU 97 11.516 9.402 -2.028 719 HB3 GLU 97 2HB GLU 97 11.313 10.785 -3.094 720 HG2 GLU 97 1HG GLU 97 11.014 11.213 -0.172 721 HG3 GLU 97 2HG GLU 97 12.633 10.961 -0.822 722 H VAL 98 H VAL 98 8.313 8.016 -1.766 723 HA VAL 98 HA VAL 98 7.491 6.364 -3.100 724 HB VAL 98 HB VAL 98 7.299 8.471 -5.252 725 HG11 VAL 98 1HG1 VAL 98 6.695 5.745 -5.251 726 HG12 VAL 98 2HG1 VAL 98 5.142 6.569 -5.100 727 HG13 VAL 98 3HG1 VAL 98 6.214 6.945 -6.449 728 HG21 VAL 98 1HG2 VAL 98 4.818 8.345 -4.154 729 HG22 VAL 98 2HG2 VAL 98 5.836 8.164 -2.725 730 HG23 VAL 98 3HG2 VAL 98 6.022 9.575 -3.766 731 H LYS 99 H LYS 99 10.366 6.879 -3.060 732 HA LYS 99 HA LYS 99 11.675 6.778 -5.462 733 HB2 LYS 99 1HB LYS 99 12.417 5.000 -3.142 734 HB3 LYS 99 2HB LYS 99 13.490 5.716 -4.338 735 HG2 LYS 99 1HG LYS 99 12.835 7.964 -3.427 736 HG3 LYS 99 2HG LYS 99 12.020 7.109 -2.116 737 HD2 LYS 99 1HD LYS 99 14.067 6.155 -1.360 738 HD3 LYS 99 2HD LYS 99 14.926 6.705 -2.801 739 HE2 LYS 99 1HE LYS 99 15.574 8.300 -1.287 740 HE3 LYS 99 2HE LYS 99 14.146 9.070 -1.977 741 HZ1 LYS 99 1HZ LYS 99 12.852 8.282 -0.102 742 HZ2 LYS 99 2HZ LYS 99 14.161 9.205 0.438 743 HZ3 LYS 99 3HZ LYS 99 14.211 7.519 0.556 744 HA PRO 100 HA PRO 100 9.732 3.065 -7.129 745 HB2 PRO 100 1HB PRO 100 10.624 3.471 -9.660 746 HB3 PRO 100 2HB PRO 100 9.217 4.306 -8.993 747 HG2 PRO 100 1HG PRO 100 12.033 5.278 -9.285 748 HG3 PRO 100 2HG PRO 100 10.514 6.133 -9.614 749 HD2 PRO 100 1HD PRO 100 11.938 6.513 -7.342 750 HD3 PRO 100 2HD PRO 100 10.167 6.631 -7.390 751 H LYS 101 H LYS 101 12.910 3.849 -6.514 752 HA LYS 101 HA LYS 101 14.123 1.631 -7.929 753 HB2 LYS 101 1HB LYS 101 15.248 3.603 -5.934 754 HB3 LYS 101 2HB LYS 101 16.197 2.365 -6.746 755 HG2 LYS 101 1HG LYS 101 14.613 4.235 -8.422 756 HG3 LYS 101 2HG LYS 101 16.078 4.840 -7.644 757 HD2 LYS 101 1HD LYS 101 17.086 2.597 -8.629 758 HD3 LYS 101 2HD LYS 101 15.758 2.789 -9.776 759 HE2 LYS 101 1HE LYS 101 16.574 4.849 -10.543 760 HE3 LYS 101 2HE LYS 101 17.637 5.045 -9.150 761 HZ1 LYS 101 1HZ LYS 101 18.072 2.745 -10.909 762 HZ2 LYS 101 2HZ LYS 101 19.191 3.651 -10.021 763 HZ3 LYS 101 3HZ LYS 101 18.556 4.269 -11.462 764 H MET 102 H MET 102 13.125 2.437 -4.654 765 HA MET 102 HA MET 102 13.980 -0.227 -3.753 766 HB2 MET 102 1HB MET 102 13.245 2.242 -2.172 767 HB3 MET 102 2HB MET 102 13.651 0.687 -1.457 768 HG2 MET 102 1HG MET 102 15.550 2.050 -3.319 769 HG3 MET 102 2HG MET 102 15.460 2.513 -1.621 770 HE1 MET 102 1HE MET 102 15.965 -0.790 0.168 771 HE2 MET 102 2HE MET 102 16.972 0.641 0.387 772 HE3 MET 102 3HE MET 102 15.233 0.815 0.141 773 H VAL 103 H VAL 103 11.237 2.030 -3.561 774 HA VAL 103 HA VAL 103 9.369 0.590 -2.230 775 HB VAL 103 HB VAL 103 8.882 2.150 -4.772 776 HG11 VAL 103 1HG1 VAL 103 7.088 0.722 -2.953 777 HG12 VAL 103 2HG1 VAL 103 6.632 2.401 -3.249 778 HG13 VAL 103 3HG1 VAL 103 6.821 1.285 -4.602 779 HG21 VAL 103 1HG2 VAL 103 9.924 3.087 -2.444 780 HG22 VAL 103 2HG2 VAL 103 8.972 4.051 -3.573 781 HG23 VAL 103 3HG2 VAL 103 8.198 3.319 -2.167 782 H MET 104 H MET 104 10.573 -0.042 -5.451 783 HA MET 104 HA MET 104 8.612 -1.770 -6.403 784 HB2 MET 104 1HB MET 104 10.585 -0.864 -7.681 785 HB3 MET 104 2HB MET 104 11.579 -2.073 -6.879 786 HG2 MET 104 1HG MET 104 9.862 -3.759 -7.823 787 HG3 MET 104 2HG MET 104 9.426 -2.445 -8.914 788 HE1 MET 104 1HE MET 104 13.047 -5.162 -9.117 789 HE2 MET 104 2HE MET 104 12.573 -4.489 -7.558 790 HE3 MET 104 3HE MET 104 11.436 -5.481 -8.473 791 H THR 105 H THR 105 11.500 -2.499 -4.467 792 HA THR 105 HA THR 105 10.823 -5.292 -4.259 793 HB THR 105 HB THR 105 13.185 -4.473 -4.263 794 HG1 THR 105 1HG THR 105 12.822 -6.521 -3.437 795 HG21 THR 105 1HG2 THR 105 13.876 -3.820 -1.785 796 HG22 THR 105 2HG2 THR 105 12.231 -3.183 -1.758 797 HG23 THR 105 3HG2 THR 105 13.383 -2.603 -2.961 798 H VAL 106 H VAL 106 9.870 -2.472 -2.668 799 HA VAL 106 HA VAL 106 9.503 -3.538 -0.042 800 HB VAL 106 HB VAL 106 8.450 -1.080 -1.422 801 HG11 VAL 106 1HG1 VAL 106 7.629 -2.285 1.171 802 HG12 VAL 106 2HG1 VAL 106 7.783 -0.530 1.069 803 HG13 VAL 106 3HG1 VAL 106 6.677 -1.383 -0.008 804 HG21 VAL 106 1HG2 VAL 106 10.711 -1.749 0.304 805 HG22 VAL 106 2HG2 VAL 106 10.492 -0.394 -0.804 806 HG23 VAL 106 3HG2 VAL 106 9.816 -0.320 0.823 807 H PHE 107 H PHE 107 7.644 -3.509 -2.976 808 HA PHE 107 HA PHE 107 5.223 -4.388 -1.611 809 HB2 PHE 107 1HB PHE 107 5.885 -3.500 -4.388 810 HB3 PHE 107 2HB PHE 107 4.466 -4.512 -4.140 811 HD1 PHE 107 1HD PHE 107 2.959 -3.693 -2.077 812 HD2 PHE 107 2HD PHE 107 5.559 -1.237 -4.386 813 HE1 PHE 107 1HE PHE 107 1.658 -1.709 -1.427 814 HE2 PHE 107 2HE PHE 107 4.262 0.751 -3.738 815 HZ PHE 107 HZ PHE 107 2.309 0.517 -2.256 816 H ALA 108 H ALA 108 7.457 -5.584 -4.107 817 HA ALA 108 HA ALA 108 6.324 -8.074 -4.546 818 HB1 ALA 108 1HB ALA 108 8.360 -6.869 -5.660 819 HB2 ALA 108 2HB ALA 108 9.294 -7.809 -4.496 820 HB3 ALA 108 3HB ALA 108 8.255 -8.630 -5.661 821 H CYS 109 H CYS 109 8.756 -7.142 -2.128 822 HA CYS 109 HA CYS 109 9.257 -9.631 -1.023 823 HB2 CYS 109 1HB CYS 109 10.305 -7.299 -0.517 824 HB3 CYS 109 2HB CYS 109 9.054 -7.192 0.716 825 HG CYS 109 HG CYS 109 9.908 -9.419 2.137 826 H LEU 110 H LEU 110 6.377 -7.829 -0.969 827 HA LEU 110 HA LEU 110 5.347 -9.288 1.358 828 HB2 LEU 110 1HB LEU 110 4.094 -7.021 -0.183 829 HB3 LEU 110 2HB LEU 110 3.486 -7.730 1.311 830 HG LEU 110 HG LEU 110 6.152 -6.343 1.137 831 HD11 LEU 110 1HD1 LEU 110 4.633 -4.563 2.427 832 HD12 LEU 110 2HD1 LEU 110 3.424 -5.222 1.327 833 HD13 LEU 110 3HD1 LEU 110 4.905 -4.511 0.685 834 HD21 LEU 110 1HD2 LEU 110 6.206 -7.498 3.103 835 HD22 LEU 110 2HD2 LEU 110 4.452 -7.491 3.288 836 HD23 LEU 110 3HD2 LEU 110 5.383 -6.036 3.649 837 H MET 111 H MET 111 4.806 -8.760 -2.082 838 HA MET 111 HA MET 111 2.410 -10.238 -2.296 839 HB2 MET 111 1HB MET 111 2.586 -9.921 -4.568 840 HB3 MET 111 2HB MET 111 3.619 -8.623 -3.985 841 HG2 MET 111 1HG MET 111 5.573 -10.140 -4.304 842 HG3 MET 111 2HG MET 111 4.480 -11.291 -5.070 843 HE1 MET 111 1HE MET 111 2.678 -9.354 -7.389 844 HE2 MET 111 2HE MET 111 3.810 -10.261 -8.393 845 HE3 MET 111 3HE MET 111 3.164 -10.984 -6.919 846 H GLY 112 H GLY 112 5.816 -11.146 -2.571 847 HA2 GLY 112 1HA GLY 112 5.546 -13.729 -3.555 848 HA3 GLY 112 2HA GLY 112 6.839 -13.199 -2.489 849 H ARG 113 H ARG 113 5.832 -12.817 -0.116 850 HA ARG 113 HA ARG 113 5.371 -15.363 0.922 851 HB2 ARG 113 1HB ARG 113 6.238 -13.365 2.177 852 HB3 ARG 113 2HB ARG 113 4.588 -12.758 2.234 853 HG2 ARG 113 1HG ARG 113 4.963 -13.796 4.305 854 HG3 ARG 113 2HG ARG 113 3.970 -14.925 3.380 855 HD2 ARG 113 1HD ARG 113 5.951 -16.218 2.806 856 HD3 ARG 113 2HD ARG 113 6.968 -15.071 3.676 857 HE ARG 113 HE ARG 113 5.483 -17.220 4.796 858 HH11 ARG 113 2HH1 ARG 113 6.568 -13.971 5.421 859 HH12 ARG 113 1HH1 ARG 113 6.563 -14.162 7.143 860 HH21 ARG 113 2HH2 ARG 113 5.472 -17.483 7.062 861 HH22 ARG 113 1HH2 ARG 113 5.940 -16.160 8.075 862 H GLY 114 H GLY 114 3.090 -12.752 0.180 863 HA2 GLY 114 1HA GLY 114 0.781 -13.963 1.218 864 HA3 GLY 114 2HA GLY 114 0.807 -12.751 -0.055 865 H MET 115 H MET 115 2.313 -14.254 -1.951 866 HA MET 115 HA MET 115 0.314 -15.545 -3.353 867 HB2 MET 115 1HB MET 115 3.306 -15.683 -3.470 868 HB3 MET 115 2HB MET 115 2.342 -16.747 -4.486 869 HG2 MET 115 1HG MET 115 1.138 -14.495 -5.118 870 HG3 MET 115 2HG MET 115 2.669 -13.799 -4.593 871 HE1 MET 115 1HE MET 115 0.634 -15.301 -7.196 872 HE2 MET 115 2HE MET 115 1.353 -13.821 -7.831 873 HE3 MET 115 3HE MET 115 1.701 -15.371 -8.598 874 H LYS 116 H LYS 116 -0.804 -17.304 -2.863 875 HA LYS 116 HA LYS 116 0.294 -19.290 -1.049 876 HB2 LYS 116 1HB LYS 116 -2.436 -19.090 -2.336 877 HB3 LYS 116 2HB LYS 116 -1.973 -20.264 -1.111 878 HG2 LYS 116 1HG LYS 116 -1.677 -17.352 -0.541 879 HG3 LYS 116 2HG LYS 116 -3.269 -18.109 -0.445 880 HD2 LYS 116 1HD LYS 116 -2.552 -18.395 1.712 881 HD3 LYS 116 2HD LYS 116 -1.961 -19.892 0.988 882 HE2 LYS 116 1HE LYS 116 0.238 -19.151 0.948 883 HE3 LYS 116 2HE LYS 116 -0.228 -17.454 1.042 884 HZ1 LYS 116 1HZ LYS 116 0.695 -18.804 3.114 885 HZ2 LYS 116 2HZ LYS 116 -0.952 -19.134 3.307 886 HZ3 LYS 116 3HZ LYS 116 -0.408 -17.532 3.277 887 H ARG 117 H ARG 117 -0.265 -21.650 -1.610 888 HA ARG 117 HA ARG 117 -0.185 -22.329 -4.410 889 HB2 ARG 117 1HB ARG 117 1.949 -23.397 -4.442 890 HB3 ARG 117 2HB ARG 117 2.195 -21.767 -3.830 891 HG2 ARG 117 1HG ARG 117 1.762 -23.958 -1.870 892 HG3 ARG 117 2HG ARG 117 3.321 -23.850 -2.690 893 HD2 ARG 117 1HD ARG 117 3.710 -22.546 -0.841 894 HD3 ARG 117 2HD ARG 117 3.169 -21.332 -1.999 895 HE ARG 117 HE ARG 117 1.348 -20.954 -0.677 896 HH11 ARG 117 2HH1 ARG 117 2.716 -24.044 0.158 897 HH12 ARG 117 1HH1 ARG 117 1.665 -24.290 1.513 898 HH21 ARG 117 2HH2 ARG 117 -0.042 -21.266 1.105 899 HH22 ARG 117 1HH2 ARG 117 0.095 -22.710 2.050 900 H VAL 118 H VAL 118 -0.663 -24.497 -4.808 901 HA VAL 118 HA VAL 118 -2.370 -25.809 -3.127 902 HB VAL 118 HB VAL 118 -2.004 -27.833 -4.421 903 HG11 VAL 118 1HG1 VAL 118 -2.350 -25.202 -5.650 904 HG12 VAL 118 2HG1 VAL 118 -1.858 -26.464 -6.782 905 HG13 VAL 118 3HG1 VAL 118 -3.317 -26.668 -5.812 906 HG21 VAL 118 1HG2 VAL 118 0.590 -26.532 -4.994 907 HG22 VAL 118 2HG2 VAL 118 0.200 -28.238 -4.775 908 HG23 VAL 118 3HG2 VAL 118 -0.150 -27.444 -6.310 909 H SER 119 H SER 119 -2.245 -27.267 -1.489 910 HA SER 119 HA SER 119 0.452 -27.857 -0.458 911 HB2 SER 119 1HB SER 119 -0.753 -28.109 1.774 912 HB3 SER 119 2HB SER 119 -0.654 -26.471 1.128 913 HG SER 119 HG SER 119 -2.883 -28.077 0.540 914 H GLY 120 H GLY 120 1.053 -29.922 -0.305 915 HA2 GLY 120 1HA GLY 120 -1.051 -31.984 -0.557 916 HA3 GLY 120 2HA GLY 120 0.535 -32.128 -1.301 917 HA PRO 121 HA PRO 121 0.967 -32.743 3.510 918 HB2 PRO 121 1HB PRO 121 -1.312 -33.577 4.728 919 HB3 PRO 121 2HB PRO 121 -0.859 -31.873 4.601 920 HG2 PRO 121 1HG PRO 121 -2.775 -33.454 2.929 921 HG3 PRO 121 2HG PRO 121 -2.949 -31.815 3.582 922 HD2 PRO 121 1HD PRO 121 -2.249 -32.292 1.010 923 HD3 PRO 121 2HD PRO 121 -1.667 -30.878 1.911 924 H SER 122 H SER 122 0.693 -34.801 4.915 925 HA SER 122 HA SER 122 0.564 -37.113 3.095 926 HB2 SER 122 1HB SER 122 2.806 -36.716 4.003 927 HB3 SER 122 2HB SER 122 2.163 -36.772 5.644 928 HG SER 122 HG SER 122 1.450 -38.961 5.076 929 H SER 123 H SER 123 0.281 -36.486 6.597 930 HA SER 123 HA SER 123 -1.105 -38.674 7.393 931 HB2 SER 123 1HB SER 123 -1.182 -35.822 8.287 932 HB3 SER 123 2HB SER 123 -2.346 -36.955 8.974 933 HG SER 123 HG SER 123 -0.756 -38.040 9.933 934 H GLY 124 H GLY 124 -2.777 -35.635 6.536 935 HA2 GLY 124 1HA GLY 124 -4.541 -36.386 4.670 936 HA3 GLY 124 2HA GLY 124 -5.244 -37.111 6.108 Start of MODEL 10 1 H1 GLY 1 H GLY 1 7.244 0.294 -26.318 2 HA2 GLY 1 1HA GLY 1 6.711 -1.818 -25.100 3 HA3 GLY 1 2HA GLY 1 7.697 -0.728 -24.137 4 H SER 2 H SER 2 5.798 -2.789 -23.279 5 HA SER 2 HA SER 2 3.674 -1.196 -22.043 6 HB2 SER 2 1HB SER 2 4.071 -4.110 -22.576 7 HB3 SER 2 2HB SER 2 3.039 -3.636 -21.227 8 HG SER 2 HG SER 2 1.990 -3.900 -23.340 9 H SER 3 H SER 3 4.892 -0.097 -20.485 10 HA SER 3 HA SER 3 6.121 0.206 -18.569 11 HB2 SER 3 1HB SER 3 5.065 -0.722 -16.639 12 HB3 SER 3 2HB SER 3 3.790 -0.473 -17.832 13 HG SER 3 HG SER 3 3.857 -2.670 -18.306 14 H GLY 4 H GLY 4 7.544 -1.381 -20.354 15 HA2 GLY 4 1HA GLY 4 9.665 -2.382 -20.023 16 HA3 GLY 4 2HA GLY 4 9.112 -2.977 -18.464 17 H SER 5 H SER 5 9.937 -3.902 -21.502 18 HA SER 5 HA SER 5 7.972 -5.977 -21.887 19 HB2 SER 5 1HB SER 5 9.409 -6.645 -23.796 20 HB3 SER 5 2HB SER 5 8.993 -4.932 -23.839 21 HG SER 5 HG SER 5 11.445 -6.123 -23.079 22 H SER 6 H SER 6 11.437 -5.880 -21.080 23 HA SER 6 HA SER 6 11.487 -8.708 -20.502 24 HB2 SER 6 1HB SER 6 13.416 -7.272 -21.457 25 HB3 SER 6 2HB SER 6 13.673 -6.766 -19.787 26 HG SER 6 HG SER 6 13.558 -9.255 -19.498 27 H GLY 7 H GLY 7 11.388 -9.677 -18.549 28 HA2 GLY 7 1HA GLY 7 11.428 -9.878 -16.227 29 HA3 GLY 7 2HA GLY 7 11.692 -8.144 -16.106 30 H ASN 8 H ASN 8 10.043 -8.913 -14.299 31 HA ASN 8 HA ASN 8 7.337 -8.445 -15.367 32 HB2 ASN 8 1HB ASN 8 8.199 -10.044 -12.951 33 HB3 ASN 8 2HB ASN 8 6.524 -9.630 -13.305 34 HD21 ASN 8 1HD2 ASN 8 7.117 -12.215 -13.051 35 HD22 ASN 8 2HD2 ASN 8 7.107 -13.011 -14.584 36 H ASP 9 H ASP 9 7.443 -6.203 -15.193 37 HA ASP 9 HA ASP 9 7.989 -5.042 -12.571 38 HB2 ASP 9 1HB ASP 9 8.909 -4.066 -14.729 39 HB3 ASP 9 2HB ASP 9 7.262 -3.566 -15.102 40 H ASP 10 H ASP 10 5.418 -4.867 -15.036 41 HA ASP 10 HA ASP 10 3.551 -3.528 -13.421 42 HB2 ASP 10 1HB ASP 10 1.869 -4.321 -15.070 43 HB3 ASP 10 2HB ASP 10 3.286 -3.601 -15.828 44 H ILE 11 H ILE 11 4.054 -6.981 -14.036 45 HA ILE 11 HA ILE 11 1.977 -8.232 -12.928 46 HB ILE 11 HB ILE 11 4.816 -8.888 -12.133 47 HG12 ILE 11 1HG1 ILE 11 4.688 -8.697 -14.542 48 HG13 ILE 11 2HG1 ILE 11 4.760 -10.403 -14.113 49 HG21 ILE 11 1HG2 ILE 11 2.757 -9.998 -11.000 50 HG22 ILE 11 2HG2 ILE 11 2.619 -10.876 -12.522 51 HG23 ILE 11 3HG2 ILE 11 4.092 -11.006 -11.561 52 HD11 ILE 11 1HD1 ILE 11 3.156 -9.912 -15.913 53 HD12 ILE 11 2HD1 ILE 11 2.398 -10.641 -14.497 54 HD13 ILE 11 3HD1 ILE 11 2.238 -8.910 -14.790 55 H ILE 12 H ILE 12 4.714 -7.235 -10.863 56 HA ILE 12 HA ILE 12 3.701 -7.738 -8.399 57 HB ILE 12 HB ILE 12 5.246 -5.261 -9.174 58 HG12 ILE 12 1HG1 ILE 12 6.258 -7.877 -8.046 59 HG13 ILE 12 2HG1 ILE 12 6.276 -7.481 -9.761 60 HG21 ILE 12 1HG2 ILE 12 5.701 -6.282 -6.507 61 HG22 ILE 12 2HG2 ILE 12 5.296 -4.650 -7.036 62 HG23 ILE 12 3HG2 ILE 12 4.015 -5.829 -6.753 63 HD11 ILE 12 1HD1 ILE 12 8.366 -7.089 -8.190 64 HD12 ILE 12 2HD1 ILE 12 7.994 -6.021 -9.544 65 HD13 ILE 12 3HD1 ILE 12 7.542 -5.556 -7.904 66 H VAL 13 H VAL 13 3.310 -4.596 -10.050 67 HA VAL 13 HA VAL 13 1.661 -3.329 -8.274 68 HB VAL 13 HB VAL 13 1.440 -3.219 -11.286 69 HG11 VAL 13 1HG1 VAL 13 0.321 -1.493 -9.103 70 HG12 VAL 13 2HG1 VAL 13 0.611 -0.857 -10.723 71 HG13 VAL 13 3HG1 VAL 13 -0.506 -2.202 -10.489 72 HG21 VAL 13 1HG2 VAL 13 3.191 -1.807 -9.303 73 HG22 VAL 13 2HG2 VAL 13 3.646 -2.634 -10.793 74 HG23 VAL 13 3HG2 VAL 13 2.810 -1.083 -10.865 75 H ASN 14 H ASN 14 0.545 -5.286 -11.043 76 HA ASN 14 HA ASN 14 -2.151 -5.191 -10.683 77 HB2 ASN 14 1HB ASN 14 -0.354 -7.414 -11.606 78 HB3 ASN 14 2HB ASN 14 -2.094 -7.664 -11.499 79 HD21 ASN 14 1HD2 ASN 14 0.402 -6.640 -13.436 80 HD22 ASN 14 2HD2 ASN 14 -0.514 -5.810 -14.643 81 H TRP 15 H TRP 15 0.119 -7.318 -8.983 82 HA TRP 15 HA TRP 15 -1.798 -8.753 -7.505 83 HB2 TRP 15 1HB TRP 15 0.601 -9.406 -7.795 84 HB3 TRP 15 2HB TRP 15 1.041 -8.123 -6.672 85 HD1 TRP 15 HD TRP 15 -0.709 -11.538 -6.769 86 HE1 TRP 15 1HE TRP 15 -0.778 -12.487 -4.378 87 HE3 TRP 15 3HE TRP 15 1.081 -7.476 -4.234 88 HZ2 TRP 15 2HZ TRP 15 -0.155 -11.627 -1.762 89 HZ3 TRP 15 3HZ TRP 15 1.314 -7.621 -1.789 90 HH2 TRP 15 HH TRP 15 0.708 -9.654 -0.580 91 H VAL 16 H VAL 16 0.140 -5.896 -6.638 92 HA VAL 16 HA VAL 16 -0.593 -5.470 -4.057 93 HB VAL 16 HB VAL 16 -0.396 -3.347 -6.198 94 HG11 VAL 16 1HG1 VAL 16 -0.547 -3.206 -3.213 95 HG12 VAL 16 2HG1 VAL 16 0.322 -1.971 -4.127 96 HG13 VAL 16 3HG1 VAL 16 -1.396 -2.242 -4.421 97 HG21 VAL 16 1HG2 VAL 16 1.565 -5.025 -4.881 98 HG22 VAL 16 2HG2 VAL 16 1.750 -3.949 -6.267 99 HG23 VAL 16 3HG2 VAL 16 1.890 -3.310 -4.629 100 H ASN 17 H ASN 17 -2.498 -4.655 -6.930 101 HA ASN 17 HA ASN 17 -4.636 -3.468 -5.452 102 HB2 ASN 17 1HB ASN 17 -4.261 -4.325 -8.306 103 HB3 ASN 17 2HB ASN 17 -5.855 -3.852 -7.724 104 HD21 ASN 17 1HD2 ASN 17 -2.509 -2.691 -7.461 105 HD22 ASN 17 2HD2 ASN 17 -2.882 -1.034 -7.780 106 H ARG 18 H ARG 18 -4.157 -6.617 -7.022 107 HA ARG 18 HA ARG 18 -6.629 -7.755 -6.615 108 HB2 ARG 18 1HB ARG 18 -4.624 -8.749 -7.814 109 HB3 ARG 18 2HB ARG 18 -4.039 -9.252 -6.234 110 HG2 ARG 18 1HG ARG 18 -5.941 -10.666 -5.908 111 HG3 ARG 18 2HG ARG 18 -6.705 -10.051 -7.375 112 HD2 ARG 18 1HD ARG 18 -5.158 -11.128 -8.767 113 HD3 ARG 18 2HD ARG 18 -4.021 -11.388 -7.445 114 HE ARG 18 HE ARG 18 -6.530 -12.733 -7.075 115 HH11 ARG 18 2HH1 ARG 18 -3.373 -12.926 -8.530 116 HH12 ARG 18 1HH1 ARG 18 -3.357 -14.658 -8.576 117 HH21 ARG 18 2HH2 ARG 18 -6.520 -15.013 -7.130 118 HH22 ARG 18 1HH2 ARG 18 -5.148 -15.844 -7.780 119 H THR 19 H THR 19 -3.833 -8.063 -4.418 120 HA THR 19 HA THR 19 -5.070 -9.412 -2.355 121 HB THR 19 HB THR 19 -2.899 -7.315 -2.173 122 HG1 THR 19 1HG THR 19 -2.243 -9.101 -3.364 123 HG21 THR 19 1HG2 THR 19 -3.529 -9.430 -0.124 124 HG22 THR 19 2HG2 THR 19 -4.158 -7.786 -0.019 125 HG23 THR 19 3HG2 THR 19 -2.418 -8.069 0.019 126 H LEU 20 H LEU 20 -4.796 -5.886 -2.769 127 HA LEU 20 HA LEU 20 -6.098 -5.084 -0.461 128 HB2 LEU 20 1HB LEU 20 -5.949 -3.854 -3.197 129 HB3 LEU 20 2HB LEU 20 -6.774 -3.058 -1.858 130 HG LEU 20 HG LEU 20 -3.943 -3.904 -1.480 131 HD11 LEU 20 1HD1 LEU 20 -4.189 -1.200 -2.505 132 HD12 LEU 20 2HD1 LEU 20 -4.622 -2.420 -3.703 133 HD13 LEU 20 3HD1 LEU 20 -3.040 -2.471 -2.924 134 HD21 LEU 20 1HD2 LEU 20 -5.594 -2.793 0.214 135 HD22 LEU 20 2HD2 LEU 20 -5.169 -1.314 -0.649 136 HD23 LEU 20 3HD2 LEU 20 -3.911 -2.270 0.137 137 H SER 21 H SER 21 -7.431 -6.188 -3.517 138 HA SER 21 HA SER 21 -10.131 -5.481 -2.917 139 HB2 SER 21 1HB SER 21 -9.511 -5.727 -5.226 140 HB3 SER 21 2HB SER 21 -8.935 -7.371 -4.953 141 HG SER 21 HG SER 21 -11.133 -7.908 -4.409 142 H GLU 22 H GLU 22 -8.288 -8.514 -2.786 143 HA GLU 22 HA GLU 22 -10.101 -10.386 -2.167 144 HB2 GLU 22 1HB GLU 22 -7.367 -9.858 -1.117 145 HB3 GLU 22 2HB GLU 22 -8.325 -11.088 -0.304 146 HG2 GLU 22 1HG GLU 22 -8.701 -12.032 -2.676 147 HG3 GLU 22 2HG GLU 22 -7.311 -11.041 -3.113 148 H ALA 23 H ALA 23 -8.980 -7.878 0.057 149 HA ALA 23 HA ALA 23 -10.842 -8.803 2.109 150 HB1 ALA 23 1HB ALA 23 -9.062 -6.412 2.390 151 HB2 ALA 23 2HB ALA 23 -9.674 -7.501 3.635 152 HB3 ALA 23 3HB ALA 23 -8.411 -8.045 2.531 153 H GLY 24 H GLY 24 -10.213 -5.965 0.081 154 HA2 GLY 24 1HA GLY 24 -12.156 -4.817 -0.857 155 HA3 GLY 24 2HA GLY 24 -12.958 -5.060 0.687 156 H LYS 25 H LYS 25 -9.723 -3.834 -0.145 157 HA LYS 25 HA LYS 25 -10.084 -1.640 1.717 158 HB2 LYS 25 1HB LYS 25 -7.716 -2.292 -0.046 159 HB3 LYS 25 2HB LYS 25 -7.737 -1.147 1.290 160 HG2 LYS 25 1HG LYS 25 -8.258 -4.093 1.603 161 HG3 LYS 25 2HG LYS 25 -6.674 -3.341 1.807 162 HD2 LYS 25 1HD LYS 25 -7.260 -2.319 3.766 163 HD3 LYS 25 2HD LYS 25 -8.963 -2.196 3.319 164 HE2 LYS 25 1HE LYS 25 -8.653 -3.787 5.138 165 HE3 LYS 25 2HE LYS 25 -9.232 -4.599 3.684 166 HZ1 LYS 25 1HZ LYS 25 -6.485 -4.682 3.538 167 HZ2 LYS 25 2HZ LYS 25 -7.520 -5.967 3.906 168 HZ3 LYS 25 3HZ LYS 25 -6.844 -5.044 5.151 169 H SER 26 H SER 26 -9.975 0.554 1.184 170 HA SER 26 HA SER 26 -10.934 1.160 -1.500 171 HB2 SER 26 1HB SER 26 -11.268 3.478 -0.479 172 HB3 SER 26 2HB SER 26 -12.246 2.175 0.197 173 HG SER 26 HG SER 26 -11.353 3.349 1.878 174 H THR 27 H THR 27 -8.016 0.659 -0.444 175 HA THR 27 HA THR 27 -6.821 3.040 -1.704 176 HB THR 27 HB THR 27 -4.738 2.467 -0.514 177 HG1 THR 27 1HG THR 27 -6.324 0.301 0.350 178 HG21 THR 27 1HG2 THR 27 -5.956 2.639 1.902 179 HG22 THR 27 2HG2 THR 27 -7.263 3.157 0.837 180 HG23 THR 27 3HG2 THR 27 -5.718 4.007 0.816 181 H SER 28 H SER 28 -5.162 2.776 -3.221 182 HA SER 28 HA SER 28 -4.132 0.264 -4.018 183 HB2 SER 28 1HB SER 28 -5.247 0.189 -6.278 184 HB3 SER 28 2HB SER 28 -6.311 -0.187 -4.923 185 HG SER 28 HG SER 28 -6.356 1.945 -6.672 186 H ILE 29 H ILE 29 -2.489 0.459 -5.533 187 HA ILE 29 HA ILE 29 -1.815 3.230 -6.267 188 HB ILE 29 HB ILE 29 0.530 2.460 -6.407 189 HG12 ILE 29 1HG1 ILE 29 -0.187 -0.037 -4.936 190 HG13 ILE 29 2HG1 ILE 29 -0.374 -0.020 -6.687 191 HG21 ILE 29 1HG2 ILE 29 0.507 1.768 -3.785 192 HG22 ILE 29 2HG2 ILE 29 0.371 3.421 -4.383 193 HG23 ILE 29 3HG2 ILE 29 -1.081 2.517 -3.954 194 HD11 ILE 29 1HD1 ILE 29 2.056 -0.057 -5.042 195 HD12 ILE 29 2HD1 ILE 29 1.753 -0.722 -6.647 196 HD13 ILE 29 3HD1 ILE 29 2.109 0.995 -6.456 197 H GLN 30 H GLN 30 -1.013 3.679 -8.334 198 HA GLN 30 HA GLN 30 -1.962 1.857 -10.387 199 HB2 GLN 30 1HB GLN 30 -0.987 4.701 -10.399 200 HB3 GLN 30 2HB GLN 30 -1.201 3.806 -11.898 201 HG2 GLN 30 1HG GLN 30 -3.426 3.990 -9.912 202 HG3 GLN 30 2HG GLN 30 -3.109 5.311 -11.035 203 HE21 GLN 30 1HE2 GLN 30 -5.363 3.379 -10.754 204 HE22 GLN 30 2HE2 GLN 30 -5.546 2.680 -12.324 205 H SER 31 H SER 31 1.068 3.238 -9.240 206 HA SER 31 HA SER 31 2.557 1.085 -10.429 207 HB2 SER 31 1HB SER 31 2.187 3.029 -12.192 208 HB3 SER 31 2HB SER 31 3.511 3.780 -11.302 209 HG SER 31 HG SER 31 4.499 2.586 -12.832 210 H PHE 32 H PHE 32 5.070 1.789 -10.193 211 HA PHE 32 HA PHE 32 5.408 2.167 -7.365 212 HB2 PHE 32 1HB PHE 32 7.612 2.018 -9.418 213 HB3 PHE 32 2HB PHE 32 7.688 1.589 -7.712 214 HD1 PHE 32 1HD PHE 32 5.964 -0.307 -7.010 215 HD2 PHE 32 2HD PHE 32 7.466 0.317 -10.944 216 HE1 PHE 32 1HE PHE 32 5.449 -2.646 -7.574 217 HE2 PHE 32 2HE PHE 32 6.953 -2.021 -11.514 218 HZ PHE 32 HZ PHE 32 5.942 -3.505 -9.829 219 H LYS 33 H LYS 33 5.493 4.165 -10.148 220 HA LYS 33 HA LYS 33 7.085 6.237 -8.865 221 HB2 LYS 33 1HB LYS 33 5.788 6.033 -11.583 222 HB3 LYS 33 2HB LYS 33 6.612 7.482 -11.021 223 HG2 LYS 33 1HG LYS 33 8.574 5.783 -10.574 224 HG3 LYS 33 2HG LYS 33 7.729 4.844 -11.807 225 HD2 LYS 33 1HD LYS 33 7.729 7.146 -13.085 226 HD3 LYS 33 2HD LYS 33 9.103 7.480 -12.028 227 HE2 LYS 33 1HE LYS 33 9.936 5.148 -12.820 228 HE3 LYS 33 2HE LYS 33 8.801 5.389 -14.148 229 HZ1 LYS 33 1HZ LYS 33 9.934 7.508 -14.621 230 HZ2 LYS 33 2HZ LYS 33 10.957 6.171 -14.792 231 HZ3 LYS 33 3HZ LYS 33 11.075 7.156 -13.422 232 H ASP 34 H ASP 34 3.772 5.419 -9.441 233 HA ASP 34 HA ASP 34 2.344 7.685 -9.446 234 HB2 ASP 34 1HB ASP 34 1.529 5.271 -9.119 235 HB3 ASP 34 2HB ASP 34 1.705 5.576 -7.393 236 H LYS 35 H LYS 35 1.509 9.171 -7.924 237 HA LYS 35 HA LYS 35 3.383 9.764 -5.770 238 HB2 LYS 35 1HB LYS 35 1.061 11.394 -6.816 239 HB3 LYS 35 2HB LYS 35 2.280 11.944 -5.673 240 HG2 LYS 35 1HG LYS 35 2.951 11.027 -8.454 241 HG3 LYS 35 2HG LYS 35 2.564 12.703 -8.057 242 HD2 LYS 35 1HD LYS 35 4.720 11.163 -6.631 243 HD3 LYS 35 2HD LYS 35 5.029 12.074 -8.111 244 HE2 LYS 35 1HE LYS 35 5.553 13.635 -6.506 245 HE3 LYS 35 2HE LYS 35 3.859 14.015 -6.811 246 HZ1 LYS 35 1HZ LYS 35 4.935 13.526 -4.382 247 HZ2 LYS 35 2HZ LYS 35 4.245 12.030 -4.766 248 HZ3 LYS 35 3HZ LYS 35 3.287 13.425 -4.752 249 H THR 36 H THR 36 1.324 7.585 -5.662 250 HA THR 36 HA THR 36 -0.382 8.534 -3.478 251 HB THR 36 HB THR 36 -1.612 6.448 -3.715 252 HG1 THR 36 1HG THR 36 0.595 5.779 -5.297 253 HG21 THR 36 1HG2 THR 36 -1.877 8.469 -5.341 254 HG22 THR 36 2HG2 THR 36 -2.697 6.950 -5.701 255 HG23 THR 36 3HG2 THR 36 -1.200 7.363 -6.535 256 H ILE 37 H ILE 37 2.147 6.188 -4.197 257 HA ILE 37 HA ILE 37 2.152 4.691 -1.876 258 HB ILE 37 HB ILE 37 4.581 5.614 -3.417 259 HG12 ILE 37 1HG1 ILE 37 3.314 2.927 -3.743 260 HG13 ILE 37 2HG1 ILE 37 2.577 4.308 -4.547 261 HG21 ILE 37 1HG2 ILE 37 5.732 4.576 -1.821 262 HG22 ILE 37 2HG2 ILE 37 4.263 3.950 -1.076 263 HG23 ILE 37 3HG2 ILE 37 5.024 3.068 -2.399 264 HD11 ILE 37 1HD1 ILE 37 5.266 4.533 -5.150 265 HD12 ILE 37 2HD1 ILE 37 4.937 2.803 -5.246 266 HD13 ILE 37 3HD1 ILE 37 3.990 3.936 -6.210 267 H SER 38 H SER 38 3.437 7.912 -2.441 268 HA SER 38 HA SER 38 5.046 8.292 -0.250 269 HB2 SER 38 1HB SER 38 4.360 10.702 -0.369 270 HB3 SER 38 2HB SER 38 4.826 10.016 -1.925 271 HG SER 38 HG SER 38 2.881 10.364 -2.630 272 H SER 39 H SER 39 1.523 8.409 -0.406 273 HA SER 39 HA SER 39 1.153 9.295 2.273 274 HB2 SER 39 1HB SER 39 -1.156 8.972 1.907 275 HB3 SER 39 2HB SER 39 -0.519 9.406 0.321 276 HG SER 39 HG SER 39 -0.423 7.112 -0.106 277 H SER 40 H SER 40 1.726 6.217 0.806 278 HA SER 40 HA SER 40 2.026 4.129 1.658 279 HB2 SER 40 1HB SER 40 2.106 5.473 4.367 280 HB3 SER 40 2HB SER 40 2.798 3.911 3.933 281 HG SER 40 HG SER 40 4.203 5.051 2.501 282 H LEU 41 H LEU 41 -0.671 5.374 1.457 283 HA LEU 41 HA LEU 41 -2.216 4.243 3.608 284 HB2 LEU 41 1HB LEU 41 -3.035 5.453 0.972 285 HB3 LEU 41 2HB LEU 41 -4.159 4.943 2.230 286 HG LEU 41 HG LEU 41 -2.078 7.097 2.583 287 HD11 LEU 41 1HD1 LEU 41 -4.431 8.392 2.662 288 HD12 LEU 41 2HD1 LEU 41 -4.805 7.151 1.467 289 HD13 LEU 41 3HD1 LEU 41 -3.446 8.244 1.207 290 HD21 LEU 41 1HD2 LEU 41 -2.540 6.775 4.738 291 HD22 LEU 41 2HD2 LEU 41 -3.889 5.701 4.370 292 HD23 LEU 41 3HD2 LEU 41 -4.134 7.448 4.394 293 H ALA 42 H ALA 42 -1.430 3.400 0.282 294 HA ALA 42 HA ALA 42 -3.221 1.178 0.143 295 HB1 ALA 42 1HB ALA 42 -2.621 2.172 -1.913 296 HB2 ALA 42 2HB ALA 42 -0.898 2.042 -1.559 297 HB3 ALA 42 3HB ALA 42 -1.841 0.590 -1.892 298 H VAL 43 H VAL 43 0.248 1.545 0.771 299 HA VAL 43 HA VAL 43 0.996 -1.122 0.846 300 HB VAL 43 HB VAL 43 2.035 1.086 2.628 301 HG11 VAL 43 1HG1 VAL 43 2.682 -1.161 3.369 302 HG12 VAL 43 2HG1 VAL 43 3.335 -1.496 1.764 303 HG13 VAL 43 3HG1 VAL 43 4.065 -0.245 2.771 304 HG21 VAL 43 1HG2 VAL 43 2.618 2.007 0.665 305 HG22 VAL 43 2HG2 VAL 43 3.869 0.764 0.642 306 HG23 VAL 43 3HG2 VAL 43 2.357 0.509 -0.229 307 H VAL 44 H VAL 44 -0.042 0.902 3.594 308 HA VAL 44 HA VAL 44 0.017 -1.053 5.564 309 HB VAL 44 HB VAL 44 -1.866 1.296 5.316 310 HG11 VAL 44 1HG1 VAL 44 -2.087 -0.837 7.060 311 HG12 VAL 44 2HG1 VAL 44 -1.246 0.395 8.003 312 HG13 VAL 44 3HG1 VAL 44 -2.806 0.760 7.265 313 HG21 VAL 44 1HG2 VAL 44 0.756 0.975 6.772 314 HG22 VAL 44 2HG2 VAL 44 0.473 1.950 5.331 315 HG23 VAL 44 3HG2 VAL 44 -0.292 2.391 6.857 316 H ASP 45 H ASP 45 -2.749 -0.049 3.555 317 HA ASP 45 HA ASP 45 -4.634 -1.824 4.560 318 HB2 ASP 45 1HB ASP 45 -4.288 -0.434 1.932 319 HB3 ASP 45 2HB ASP 45 -5.547 -1.655 2.095 320 H LEU 46 H LEU 46 -2.197 -2.299 2.052 321 HA LEU 46 HA LEU 46 -3.033 -4.776 1.087 322 HB2 LEU 46 1HB LEU 46 -1.329 -3.508 -0.036 323 HB3 LEU 46 2HB LEU 46 -0.264 -3.623 1.363 324 HG LEU 46 HG LEU 46 -0.405 -6.191 0.903 325 HD11 LEU 46 1HD1 LEU 46 -1.152 -6.913 -1.092 326 HD12 LEU 46 2HD1 LEU 46 -0.600 -5.471 -1.943 327 HD13 LEU 46 3HD1 LEU 46 -2.116 -5.437 -1.042 328 HD21 LEU 46 1HD2 LEU 46 1.241 -5.135 -1.214 329 HD22 LEU 46 2HD2 LEU 46 1.715 -5.889 0.309 330 HD23 LEU 46 3HD2 LEU 46 1.387 -4.156 0.246 331 H ILE 47 H ILE 47 -0.477 -4.170 3.505 332 HA ILE 47 HA ILE 47 0.140 -6.698 4.264 333 HB ILE 47 HB ILE 47 -0.256 -4.362 6.138 334 HG12 ILE 47 1HG1 ILE 47 2.400 -5.289 5.126 335 HG13 ILE 47 2HG1 ILE 47 1.386 -4.318 4.064 336 HG21 ILE 47 1HG2 ILE 47 1.644 -5.732 7.346 337 HG22 ILE 47 2HG2 ILE 47 -0.060 -6.090 7.621 338 HG23 ILE 47 3HG2 ILE 47 0.881 -7.084 6.510 339 HD11 ILE 47 1HD1 ILE 47 2.953 -2.919 5.249 340 HD12 ILE 47 2HD1 ILE 47 1.308 -2.565 5.778 341 HD13 ILE 47 3HD1 ILE 47 2.373 -3.534 6.796 342 H ASP 48 H ASP 48 -2.434 -4.773 5.817 343 HA ASP 48 HA ASP 48 -3.477 -6.536 7.573 344 HB2 ASP 48 1HB ASP 48 -4.412 -4.311 7.275 345 HB3 ASP 48 2HB ASP 48 -5.046 -4.759 5.694 346 H ALA 49 H ALA 49 -4.680 -6.323 4.218 347 HA ALA 49 HA ALA 49 -6.388 -8.384 4.071 348 HB1 ALA 49 1HB ALA 49 -4.986 -6.893 2.215 349 HB2 ALA 49 2HB ALA 49 -4.555 -8.559 1.829 350 HB3 ALA 49 3HB ALA 49 -6.250 -8.074 1.869 351 H ILE 50 H ILE 50 -2.860 -8.708 4.025 352 HA ILE 50 HA ILE 50 -2.920 -11.559 3.753 353 HB ILE 50 HB ILE 50 -0.642 -9.792 4.653 354 HG12 ILE 50 1HG1 ILE 50 -0.841 -10.943 1.906 355 HG13 ILE 50 2HG1 ILE 50 -1.815 -9.527 2.285 356 HG21 ILE 50 1HG2 ILE 50 -0.358 -12.152 5.243 357 HG22 ILE 50 2HG2 ILE 50 -0.629 -12.603 3.560 358 HG23 ILE 50 3HG2 ILE 50 0.789 -11.651 4.001 359 HD11 ILE 50 1HD1 ILE 50 0.321 -8.945 1.249 360 HD12 ILE 50 2HD1 ILE 50 0.177 -8.289 2.881 361 HD13 ILE 50 3HD1 ILE 50 1.172 -9.715 2.588 362 H GLN 51 H GLN 51 -1.924 -9.419 6.431 363 HA GLN 51 HA GLN 51 -2.770 -11.531 8.299 364 HB2 GLN 51 1HB GLN 51 -0.365 -11.544 8.283 365 HB3 GLN 51 2HB GLN 51 -0.304 -9.795 8.448 366 HG2 GLN 51 1HG GLN 51 -0.907 -9.852 10.680 367 HG3 GLN 51 2HG GLN 51 -1.617 -11.460 10.550 368 HE21 GLN 51 1HE2 GLN 51 0.732 -9.967 12.033 369 HE22 GLN 51 2HE2 GLN 51 1.977 -11.165 12.021 370 HA PRO 52 HA PRO 52 -5.090 -7.685 9.290 371 HB2 PRO 52 1HB PRO 52 -7.364 -8.990 9.995 372 HB3 PRO 52 2HB PRO 52 -6.977 -8.569 8.322 373 HG2 PRO 52 1HG PRO 52 -6.641 -11.182 9.745 374 HG3 PRO 52 2HG PRO 52 -7.251 -10.869 8.109 375 HD2 PRO 52 1HD PRO 52 -4.720 -11.706 8.585 376 HD3 PRO 52 2HD PRO 52 -5.134 -10.638 7.228 377 H GLY 53 H GLY 53 -6.317 -7.166 11.347 378 HA2 GLY 53 1HA GLY 53 -6.638 -7.361 13.654 379 HA3 GLY 53 2HA GLY 53 -5.672 -8.829 13.641 380 H CYS 54 H CYS 54 -3.430 -7.630 12.243 381 HA CYS 54 HA CYS 54 -2.149 -6.431 14.538 382 HB2 CYS 54 1HB CYS 54 -0.107 -6.756 13.394 383 HB3 CYS 54 2HB CYS 54 -1.093 -8.152 12.975 384 HG CYS 54 HG CYS 54 -1.052 -7.821 10.423 385 H ILE 55 H ILE 55 -3.286 -5.436 11.376 386 HA ILE 55 HA ILE 55 -2.054 -2.845 11.479 387 HB ILE 55 HB ILE 55 -4.269 -3.868 9.699 388 HG12 ILE 55 1HG1 ILE 55 -2.060 -5.048 9.524 389 HG13 ILE 55 2HG1 ILE 55 -2.566 -4.240 8.044 390 HG21 ILE 55 1HG2 ILE 55 -4.300 -1.900 8.601 391 HG22 ILE 55 2HG2 ILE 55 -3.715 -1.270 10.140 392 HG23 ILE 55 3HG2 ILE 55 -2.576 -1.617 8.839 393 HD11 ILE 55 1HD1 ILE 55 -0.875 -2.743 8.124 394 HD12 ILE 55 2HD1 ILE 55 -0.840 -2.707 9.888 395 HD13 ILE 55 3HD1 ILE 55 -0.106 -4.054 9.018 396 H ASN 56 H ASN 56 -2.740 -1.172 12.626 397 HA ASN 56 HA ASN 56 -5.571 -1.084 13.434 398 HB2 ASN 56 1HB ASN 56 -3.677 -1.299 15.202 399 HB3 ASN 56 2HB ASN 56 -3.391 0.406 14.866 400 HD21 ASN 56 1HD2 ASN 56 -3.944 0.694 17.116 401 HD22 ASN 56 2HD2 ASN 56 -5.606 0.804 17.574 402 H TYR 57 H TYR 57 -6.347 0.083 11.691 403 HA TYR 57 HA TYR 57 -5.184 2.305 10.499 404 HB2 TYR 57 1HB TYR 57 -8.096 1.577 10.839 405 HB3 TYR 57 2HB TYR 57 -7.539 2.903 9.825 406 HD1 TYR 57 2HD TYR 57 -5.319 1.939 8.359 407 HD2 TYR 57 1HD TYR 57 -8.792 -0.206 9.559 408 HE1 TYR 57 2HE TYR 57 -4.993 0.376 6.488 409 HE2 TYR 57 1HE TYR 57 -8.476 -1.775 7.692 410 HH TYR 57 HH TYR 57 -7.171 -2.386 6.001 411 H ASP 58 H ASP 58 -7.233 2.085 13.358 412 HA ASP 58 HA ASP 58 -8.044 4.563 13.914 413 HB2 ASP 58 1HB ASP 58 -7.983 2.474 15.442 414 HB3 ASP 58 2HB ASP 58 -6.456 3.129 16.026 415 H LEU 59 H LEU 59 -4.685 3.509 14.035 416 HA LEU 59 HA LEU 59 -3.779 6.126 14.907 417 HB2 LEU 59 1HB LEU 59 -2.111 3.774 14.043 418 HB3 LEU 59 2HB LEU 59 -1.589 5.171 14.982 419 HG LEU 59 HG LEU 59 -3.619 3.196 16.001 420 HD11 LEU 59 1HD1 LEU 59 -2.015 1.692 16.269 421 HD12 LEU 59 2HD1 LEU 59 -1.164 2.830 17.314 422 HD13 LEU 59 3HD1 LEU 59 -0.816 2.791 15.586 423 HD21 LEU 59 1HD2 LEU 59 -1.842 4.676 17.811 424 HD22 LEU 59 2HD2 LEU 59 -3.572 4.355 17.926 425 HD23 LEU 59 3HD2 LEU 59 -2.985 5.671 16.908 426 H VAL 60 H VAL 60 -3.685 4.107 12.009 427 HA VAL 60 HA VAL 60 -2.004 5.646 10.419 428 HB VAL 60 HB VAL 60 -4.426 4.072 9.529 429 HG11 VAL 60 1HG1 VAL 60 -2.493 3.971 7.549 430 HG12 VAL 60 2HG1 VAL 60 -3.978 4.924 7.519 431 HG13 VAL 60 3HG1 VAL 60 -2.472 5.651 8.082 432 HG21 VAL 60 1HG2 VAL 60 -3.262 2.189 9.818 433 HG22 VAL 60 2HG2 VAL 60 -1.805 2.885 9.106 434 HG23 VAL 60 3HG2 VAL 60 -2.165 3.147 10.813 435 H LYS 61 H LYS 61 -2.213 7.484 9.272 436 HA LYS 61 HA LYS 61 -4.645 9.043 9.671 437 HB2 LYS 61 1HB LYS 61 -1.842 9.692 8.829 438 HB3 LYS 61 2HB LYS 61 -3.144 10.822 8.483 439 HG2 LYS 61 1HG LYS 61 -2.809 9.780 11.256 440 HG3 LYS 61 2HG LYS 61 -1.738 11.052 10.663 441 HD2 LYS 61 1HD LYS 61 -3.711 12.412 10.089 442 HD3 LYS 61 2HD LYS 61 -4.754 11.149 10.747 443 HE2 LYS 61 1HE LYS 61 -2.606 12.510 12.357 444 HE3 LYS 61 2HE LYS 61 -4.265 13.103 12.277 445 HZ1 LYS 61 1HZ LYS 61 -5.067 11.251 13.380 446 HZ2 LYS 61 2HZ LYS 61 -3.609 11.547 14.186 447 HZ3 LYS 61 3HZ LYS 61 -3.704 10.309 13.037 448 H SER 62 H SER 62 -5.102 10.574 7.685 449 HA SER 62 HA SER 62 -4.726 9.444 5.089 450 HB2 SER 62 1HB SER 62 -7.140 8.968 4.659 451 HB3 SER 62 2HB SER 62 -6.411 7.869 5.830 452 HG SER 62 HG SER 62 -8.559 9.309 6.164 453 H GLY 63 H GLY 63 -5.580 10.768 3.406 454 HA2 GLY 63 1HA GLY 63 -6.700 12.682 2.578 455 HA3 GLY 63 2HA GLY 63 -6.841 13.281 4.224 456 H ASN 64 H ASN 64 -5.921 15.253 4.064 457 HA ASN 64 HA ASN 64 -3.607 15.800 2.511 458 HB2 ASN 64 1HB ASN 64 -5.004 17.355 4.691 459 HB3 ASN 64 2HB ASN 64 -3.612 17.975 3.810 460 HD21 ASN 64 1HD2 ASN 64 -6.655 18.526 3.995 461 HD22 ASN 64 2HD2 ASN 64 -7.103 18.743 2.340 462 H LEU 65 H LEU 65 -2.155 14.142 3.253 463 HA LEU 65 HA LEU 65 -1.209 14.196 5.972 464 HB2 LEU 65 1HB LEU 65 -0.089 12.782 3.557 465 HB3 LEU 65 2HB LEU 65 0.376 12.495 5.232 466 HG LEU 65 HG LEU 65 -2.388 11.991 4.140 467 HD11 LEU 65 1HD1 LEU 65 -0.716 10.550 3.055 468 HD12 LEU 65 2HD1 LEU 65 -1.806 9.643 4.103 469 HD13 LEU 65 3HD1 LEU 65 -0.169 10.014 4.643 470 HD21 LEU 65 1HD2 LEU 65 -2.921 11.092 6.185 471 HD22 LEU 65 2HD2 LEU 65 -1.856 12.412 6.668 472 HD23 LEU 65 3HD2 LEU 65 -1.239 10.761 6.601 473 H THR 66 H THR 66 0.036 15.803 6.659 474 HA THR 66 HA THR 66 1.579 17.453 4.929 475 HB THR 66 HB THR 66 0.628 18.272 7.065 476 HG1 THR 66 1HG THR 66 2.713 19.060 5.992 477 HG21 THR 66 1HG2 THR 66 1.344 17.578 9.151 478 HG22 THR 66 2HG2 THR 66 2.871 16.947 8.533 479 HG23 THR 66 3HG2 THR 66 1.372 16.062 8.251 480 H GLU 67 H GLU 67 3.915 17.808 5.135 481 HA GLU 67 HA GLU 67 5.494 15.759 4.438 482 HB2 GLU 67 1HB GLU 67 6.174 18.169 6.106 483 HB3 GLU 67 2HB GLU 67 7.409 17.021 5.608 484 HG2 GLU 67 1HG GLU 67 5.609 18.563 3.753 485 HG3 GLU 67 2HG GLU 67 7.287 18.959 4.123 486 H ASP 68 H ASP 68 4.561 16.552 7.731 487 HA ASP 68 HA ASP 68 6.284 14.609 8.946 488 HB2 ASP 68 1HB ASP 68 3.834 15.785 10.241 489 HB3 ASP 68 2HB ASP 68 5.334 15.260 11.001 490 H ASP 69 H ASP 69 2.859 14.749 8.077 491 HA ASP 69 HA ASP 69 2.057 12.328 9.230 492 HB2 ASP 69 1HB ASP 69 1.019 13.897 6.876 493 HB3 ASP 69 2HB ASP 69 0.258 12.399 7.403 494 H LYS 70 H LYS 70 2.710 12.915 5.770 495 HA LYS 70 HA LYS 70 2.618 10.451 4.727 496 HB2 LYS 70 1HB LYS 70 4.695 12.583 4.251 497 HB3 LYS 70 2HB LYS 70 4.628 11.110 3.292 498 HG2 LYS 70 1HG LYS 70 2.307 11.682 2.654 499 HG3 LYS 70 2HG LYS 70 2.480 13.207 3.527 500 HD2 LYS 70 1HD LYS 70 4.534 13.602 2.048 501 HD3 LYS 70 2HD LYS 70 3.911 12.286 1.050 502 HE2 LYS 70 1HE LYS 70 1.688 13.676 1.168 503 HE3 LYS 70 2HE LYS 70 2.784 15.005 1.539 504 HZ1 LYS 70 1HZ LYS 70 2.881 13.278 -0.875 505 HZ2 LYS 70 2HZ LYS 70 3.992 14.501 -0.513 506 HZ3 LYS 70 3HZ LYS 70 2.375 14.891 -0.820 507 H HIS 71 H HIS 71 5.539 11.726 6.328 508 HA HIS 71 HA HIS 71 7.074 9.408 6.181 509 HB2 HIS 71 1HB HIS 71 7.075 11.808 7.958 510 HB3 HIS 71 2HB HIS 71 8.076 10.431 8.410 511 HD1 HIS 71 1HD HIS 71 10.239 10.108 7.153 512 HD2 HIS 71 2HD HIS 71 7.813 13.028 5.466 513 HE1 HIS 71 1HE HIS 71 11.657 11.234 5.408 514 HE2 HIS 71 2HE HIS 71 10.196 13.053 4.460 515 H ASN 72 H ASN 72 4.833 10.481 8.714 516 HA ASN 72 HA ASN 72 5.266 8.434 10.549 517 HB2 ASN 72 1HB ASN 72 2.934 10.214 9.940 518 HB3 ASN 72 2HB ASN 72 2.742 8.902 11.099 519 HD21 ASN 72 1HD2 ASN 72 2.673 11.809 11.466 520 HD22 ASN 72 2HD2 ASN 72 3.867 12.158 12.665 521 H ASN 73 H ASN 73 2.853 8.606 7.936 522 HA ASN 73 HA ASN 73 1.632 6.150 8.335 523 HB2 ASN 73 1HB ASN 73 2.163 7.572 5.716 524 HB3 ASN 73 2HB ASN 73 1.011 6.259 5.938 525 HD21 ASN 73 1HD2 ASN 73 -0.922 7.145 5.727 526 HD22 ASN 73 2HD2 ASN 73 -1.487 8.543 6.569 527 H ALA 74 H ALA 74 4.407 6.901 6.234 528 HA ALA 74 HA ALA 74 4.862 4.325 5.272 529 HB1 ALA 74 1HB ALA 74 6.211 5.656 4.087 530 HB2 ALA 74 2HB ALA 74 6.348 6.835 5.392 531 HB3 ALA 74 3HB ALA 74 7.376 5.402 5.386 532 H LYS 75 H LYS 75 6.457 5.967 8.009 533 HA LYS 75 HA LYS 75 8.124 4.003 8.893 534 HB2 LYS 75 1HB LYS 75 6.501 6.046 10.373 535 HB3 LYS 75 2HB LYS 75 7.495 4.898 11.260 536 HG2 LYS 75 1HG LYS 75 9.433 5.674 9.836 537 HG3 LYS 75 2HG LYS 75 8.383 6.984 9.291 538 HD2 LYS 75 1HD LYS 75 8.815 6.455 12.212 539 HD3 LYS 75 2HD LYS 75 9.963 7.420 11.281 540 HE2 LYS 75 1HE LYS 75 8.150 8.936 10.633 541 HE3 LYS 75 2HE LYS 75 7.010 7.971 11.570 542 HZ1 LYS 75 1HZ LYS 75 7.639 9.813 12.892 543 HZ2 LYS 75 2HZ LYS 75 9.286 9.571 12.596 544 HZ3 LYS 75 3HZ LYS 75 8.427 8.467 13.547 545 H TYR 76 H TYR 76 4.713 4.370 9.855 546 HA TYR 76 HA TYR 76 4.507 2.164 11.513 547 HB2 TYR 76 1HB TYR 76 2.769 3.983 11.031 548 HB3 TYR 76 2HB TYR 76 2.297 3.008 9.644 549 HD1 TYR 76 1HD TYR 76 3.069 2.362 13.252 550 HD2 TYR 76 2HD TYR 76 0.403 1.754 9.992 551 HE1 TYR 76 1HE TYR 76 1.610 1.016 14.704 552 HE2 TYR 76 2HE TYR 76 -1.065 0.408 11.435 553 HH TYR 76 HH TYR 76 -0.251 -0.180 14.845 554 H ALA 77 H ALA 77 3.706 2.306 8.040 555 HA ALA 77 HA ALA 77 3.100 -0.375 7.668 556 HB1 ALA 77 1HB ALA 77 2.926 0.155 5.492 557 HB2 ALA 77 2HB ALA 77 3.170 1.807 6.059 558 HB3 ALA 77 3HB ALA 77 4.533 0.879 5.434 559 H VAL 78 H VAL 78 6.234 1.232 7.094 560 HA VAL 78 HA VAL 78 7.768 -0.871 6.298 561 HB VAL 78 HB VAL 78 8.609 1.273 8.255 562 HG11 VAL 78 1HG1 VAL 78 10.856 0.795 7.694 563 HG12 VAL 78 2HG1 VAL 78 10.105 -0.758 8.067 564 HG13 VAL 78 3HG1 VAL 78 10.377 -0.289 6.388 565 HG21 VAL 78 1HG2 VAL 78 7.611 1.916 5.970 566 HG22 VAL 78 2HG2 VAL 78 9.158 2.624 6.436 567 HG23 VAL 78 3HG2 VAL 78 9.112 1.276 5.299 568 H SER 79 H SER 79 6.953 -0.028 9.648 569 HA SER 79 HA SER 79 8.470 -2.068 10.867 570 HB2 SER 79 1HB SER 79 6.065 -0.499 11.801 571 HB3 SER 79 2HB SER 79 6.892 -1.674 12.823 572 HG SER 79 HG SER 79 8.466 0.244 11.563 573 H MET 80 H MET 80 5.032 -1.905 9.979 574 HA MET 80 HA MET 80 4.284 -4.426 10.924 575 HB2 MET 80 1HB MET 80 3.176 -2.903 8.559 576 HB3 MET 80 2HB MET 80 2.383 -4.249 9.367 577 HG2 MET 80 1HG MET 80 2.968 -1.525 10.491 578 HG3 MET 80 2HG MET 80 1.393 -2.232 10.140 579 HE1 MET 80 1HE MET 80 0.788 -4.467 10.958 580 HE2 MET 80 2HE MET 80 1.912 -5.426 11.921 581 HE3 MET 80 3HE MET 80 0.560 -4.604 12.701 582 H ALA 81 H ALA 81 4.986 -3.522 7.541 583 HA ALA 81 HA ALA 81 4.882 -5.841 6.231 584 HB1 ALA 81 1HB ALA 81 7.392 -4.253 5.891 585 HB2 ALA 81 2HB ALA 81 6.370 -5.010 4.668 586 HB3 ALA 81 3HB ALA 81 5.829 -3.544 5.485 587 H ARG 82 H ARG 82 7.620 -4.906 8.295 588 HA ARG 82 HA ARG 82 8.929 -7.448 7.931 589 HB2 ARG 82 1HB ARG 82 10.570 -6.582 9.546 590 HB3 ARG 82 2HB ARG 82 10.266 -5.436 8.247 591 HG2 ARG 82 1HG ARG 82 8.945 -4.057 9.660 592 HG3 ARG 82 2HG ARG 82 8.929 -5.278 10.935 593 HD2 ARG 82 1HD ARG 82 11.446 -3.970 9.925 594 HD3 ARG 82 2HD ARG 82 10.511 -3.346 11.283 595 HE ARG 82 HE ARG 82 12.276 -5.596 11.298 596 HH11 ARG 82 2HH1 ARG 82 9.427 -4.231 12.761 597 HH12 ARG 82 1HH1 ARG 82 9.623 -5.091 14.252 598 HH21 ARG 82 2HH2 ARG 82 12.544 -6.734 13.256 599 HH22 ARG 82 1HH2 ARG 82 11.396 -6.514 14.533 600 H ARG 83 H ARG 83 6.893 -5.915 10.341 601 HA ARG 83 HA ARG 83 7.296 -7.686 12.468 602 HB2 ARG 83 1HB ARG 83 5.959 -5.445 12.328 603 HB3 ARG 83 2HB ARG 83 4.603 -6.488 11.920 604 HG2 ARG 83 1HG ARG 83 5.354 -7.780 14.075 605 HG3 ARG 83 2HG ARG 83 6.097 -6.231 14.478 606 HD2 ARG 83 1HD ARG 83 4.056 -5.128 14.554 607 HD3 ARG 83 2HD ARG 83 3.249 -6.350 13.572 608 HE ARG 83 HE ARG 83 4.131 -7.443 16.038 609 HH11 ARG 83 2HH1 ARG 83 1.668 -5.425 14.630 610 HH12 ARG 83 1HH1 ARG 83 0.488 -5.795 15.843 611 HH21 ARG 83 2HH2 ARG 83 2.586 -7.937 17.641 612 HH22 ARG 83 1HH2 ARG 83 1.011 -7.223 17.556 613 H ILE 84 H ILE 84 5.150 -7.865 9.678 614 HA ILE 84 HA ILE 84 3.817 -10.242 10.578 615 HB ILE 84 HB ILE 84 2.853 -10.317 8.310 616 HG12 ILE 84 1HG1 ILE 84 4.537 -7.855 7.803 617 HG13 ILE 84 2HG1 ILE 84 4.844 -9.445 7.114 618 HG21 ILE 84 1HG2 ILE 84 1.342 -8.713 8.797 619 HG22 ILE 84 2HG2 ILE 84 2.261 -8.605 10.297 620 HG23 ILE 84 3HG2 ILE 84 2.571 -7.463 8.989 621 HD11 ILE 84 1HD1 ILE 84 2.183 -8.852 6.499 622 HD12 ILE 84 2HD1 ILE 84 3.096 -7.373 6.199 623 HD13 ILE 84 3HD1 ILE 84 3.566 -8.877 5.406 624 H GLY 85 H GLY 85 6.703 -9.530 8.807 625 HA2 GLY 85 1HA GLY 85 8.178 -11.648 8.962 626 HA3 GLY 85 2HA GLY 85 6.929 -12.329 7.931 627 H ALA 86 H ALA 86 6.424 -10.206 6.232 628 HA ALA 86 HA ALA 86 8.161 -10.516 4.176 629 HB1 ALA 86 1HB ALA 86 6.197 -8.483 4.914 630 HB2 ALA 86 2HB ALA 86 7.454 -7.899 3.822 631 HB3 ALA 86 3HB ALA 86 6.470 -9.292 3.371 632 H ARG 87 H ARG 87 10.325 -10.487 4.438 633 HA ARG 87 HA ARG 87 11.655 -8.492 6.022 634 HB2 ARG 87 1HB ARG 87 12.350 -10.971 5.501 635 HB3 ARG 87 2HB ARG 87 13.092 -10.255 4.077 636 HG2 ARG 87 1HG ARG 87 14.774 -10.395 5.728 637 HG3 ARG 87 2HG ARG 87 14.311 -8.695 5.624 638 HD2 ARG 87 1HD ARG 87 12.822 -9.033 7.577 639 HD3 ARG 87 2HD ARG 87 13.420 -10.686 7.706 640 HE ARG 87 HE ARG 87 15.682 -9.210 7.781 641 HH11 ARG 87 2HH1 ARG 87 12.689 -9.086 9.555 642 HH12 ARG 87 1HH1 ARG 87 13.418 -8.456 10.995 643 HH21 ARG 87 2HH2 ARG 87 16.653 -8.380 9.671 644 HH22 ARG 87 1HH2 ARG 87 15.672 -8.054 11.060 645 H VAL 88 H VAL 88 11.121 -6.516 5.061 646 HA VAL 88 HA VAL 88 12.291 -6.058 2.394 647 HB VAL 88 HB VAL 88 10.032 -5.568 2.124 648 HG11 VAL 88 1HG1 VAL 88 10.174 -4.801 4.964 649 HG12 VAL 88 2HG1 VAL 88 9.046 -3.872 3.975 650 HG13 VAL 88 3HG1 VAL 88 8.897 -5.627 4.071 651 HG21 VAL 88 1HG2 VAL 88 9.878 -3.151 1.891 652 HG22 VAL 88 2HG2 VAL 88 11.271 -2.944 2.953 653 HG23 VAL 88 3HG2 VAL 88 11.468 -3.720 1.382 654 H TYR 89 H TYR 89 11.971 -4.831 5.674 655 HA TYR 89 HA TYR 89 12.948 -3.015 6.713 656 HB2 TYR 89 1HB TYR 89 15.474 -3.241 6.630 657 HB3 TYR 89 2HB TYR 89 14.592 -4.684 7.118 658 HD1 TYR 89 2HD TYR 89 14.408 -6.603 5.589 659 HD2 TYR 89 1HD TYR 89 16.729 -3.182 4.582 660 HE1 TYR 89 2HE TYR 89 15.533 -7.893 3.823 661 HE2 TYR 89 1HE TYR 89 17.860 -4.463 2.813 662 HH TYR 89 HH TYR 89 17.182 -7.906 2.319 663 H ALA 90 H ALA 90 11.834 -1.952 4.546 664 HA ALA 90 HA ALA 90 13.883 -0.451 3.092 665 HB1 ALA 90 1HB ALA 90 12.321 -1.260 1.579 666 HB2 ALA 90 2HB ALA 90 10.961 -0.926 2.652 667 HB3 ALA 90 3HB ALA 90 11.792 0.402 1.842 668 H LEU 91 H LEU 91 14.515 1.440 3.874 669 HA LEU 91 HA LEU 91 13.674 2.789 6.045 670 HB2 LEU 91 1HB LEU 91 14.479 4.215 3.520 671 HB3 LEU 91 2HB LEU 91 14.689 4.771 5.179 672 HG LEU 91 HG LEU 91 16.136 2.453 3.897 673 HD11 LEU 91 1HD1 LEU 91 17.282 4.166 2.980 674 HD12 LEU 91 2HD1 LEU 91 18.046 4.214 4.569 675 HD13 LEU 91 3HD1 LEU 91 16.733 5.328 4.189 676 HD21 LEU 91 1HD2 LEU 91 17.252 3.497 6.346 677 HD22 LEU 91 2HD2 LEU 91 16.829 1.839 5.918 678 HD23 LEU 91 3HD2 LEU 91 15.605 2.917 6.591 679 HA PRO 92 HA PRO 92 9.626 4.363 5.344 680 HB2 PRO 92 1HB PRO 92 9.654 6.457 7.072 681 HB3 PRO 92 2HB PRO 92 9.553 4.774 7.603 682 HG2 PRO 92 1HG PRO 92 11.935 6.583 7.485 683 HG3 PRO 92 2HG PRO 92 11.452 5.451 8.762 684 HD2 PRO 92 1HD PRO 92 13.367 4.862 6.942 685 HD3 PRO 92 2HD PRO 92 12.302 3.626 7.640 686 H GLU 93 H GLU 93 12.451 6.336 4.890 687 HA GLU 93 HA GLU 93 11.145 8.644 3.868 688 HB2 GLU 93 1HB GLU 93 13.966 7.673 3.378 689 HB3 GLU 93 2HB GLU 93 13.364 9.293 3.053 690 HG2 GLU 93 1HG GLU 93 12.790 9.366 5.551 691 HG3 GLU 93 2HG GLU 93 13.857 7.970 5.691 692 H ASP 94 H ASP 94 12.522 5.752 2.376 693 HA ASP 94 HA ASP 94 12.498 6.366 -0.276 694 HB2 ASP 94 1HB ASP 94 13.219 4.218 0.050 695 HB3 ASP 94 2HB ASP 94 11.977 3.869 1.249 696 H LEU 95 H LEU 95 9.696 5.145 1.555 697 HA LEU 95 HA LEU 95 7.832 5.201 -0.502 698 HB2 LEU 95 1HB LEU 95 7.367 5.771 2.422 699 HB3 LEU 95 2HB LEU 95 6.129 5.324 1.250 700 HG LEU 95 HG LEU 95 8.430 3.485 1.787 701 HD11 LEU 95 1HD1 LEU 95 5.918 3.730 3.435 702 HD12 LEU 95 2HD1 LEU 95 7.574 3.989 3.984 703 HD13 LEU 95 3HD1 LEU 95 7.047 2.377 3.503 704 HD21 LEU 95 1HD2 LEU 95 7.070 2.902 -0.081 705 HD22 LEU 95 2HD2 LEU 95 5.588 3.159 0.841 706 HD23 LEU 95 3HD2 LEU 95 6.652 1.809 1.239 707 H VAL 96 H VAL 96 8.631 7.748 1.847 708 HA VAL 96 HA VAL 96 6.809 9.677 1.128 709 HB VAL 96 HB VAL 96 9.697 10.105 1.905 710 HG11 VAL 96 1HG1 VAL 96 9.373 12.284 1.647 711 HG12 VAL 96 2HG1 VAL 96 7.755 11.971 1.015 712 HG13 VAL 96 3HG1 VAL 96 7.995 12.219 2.745 713 HG21 VAL 96 1HG2 VAL 96 7.466 10.532 3.801 714 HG22 VAL 96 2HG2 VAL 96 7.856 8.861 3.393 715 HG23 VAL 96 3HG2 VAL 96 9.093 9.912 4.084 716 H GLU 97 H GLU 97 10.079 9.269 -0.238 717 HA GLU 97 HA GLU 97 9.579 11.207 -2.304 718 HB2 GLU 97 1HB GLU 97 11.867 9.253 -2.012 719 HB3 GLU 97 2HB GLU 97 11.817 10.631 -3.102 720 HG2 GLU 97 1HG GLU 97 11.575 12.090 -1.067 721 HG3 GLU 97 2HG GLU 97 11.932 10.660 -0.101 722 H VAL 98 H VAL 98 8.505 8.153 -1.896 723 HA VAL 98 HA VAL 98 7.810 6.450 -3.260 724 HB VAL 98 HB VAL 98 7.325 8.696 -5.219 725 HG11 VAL 98 1HG1 VAL 98 6.930 5.975 -5.483 726 HG12 VAL 98 2HG1 VAL 98 5.340 6.585 -5.022 727 HG13 VAL 98 3HG1 VAL 98 6.159 7.239 -6.441 728 HG21 VAL 98 1HG2 VAL 98 6.481 8.937 -2.760 729 HG22 VAL 98 2HG2 VAL 98 5.398 9.297 -4.105 730 HG23 VAL 98 3HG2 VAL 98 5.276 7.752 -3.263 731 H LYS 99 H LYS 99 10.502 6.500 -3.325 732 HA LYS 99 HA LYS 99 11.642 6.792 -5.901 733 HB2 LYS 99 1HB LYS 99 12.657 5.004 -3.691 734 HB3 LYS 99 2HB LYS 99 13.590 5.735 -4.990 735 HG2 LYS 99 1HG LYS 99 13.279 7.926 -4.050 736 HG3 LYS 99 2HG LYS 99 12.193 7.282 -2.817 737 HD2 LYS 99 1HD LYS 99 14.032 5.946 -1.902 738 HD3 LYS 99 2HD LYS 99 15.116 6.597 -3.133 739 HE2 LYS 99 1HE LYS 99 15.210 8.666 -2.150 740 HE3 LYS 99 2HE LYS 99 13.620 8.504 -1.407 741 HZ1 LYS 99 1HZ LYS 99 16.222 7.607 -0.440 742 HZ2 LYS 99 2HZ LYS 99 14.896 6.614 -0.098 743 HZ3 LYS 99 3HZ LYS 99 14.902 8.224 0.420 744 HA PRO 100 HA PRO 100 9.890 3.110 -7.697 745 HB2 PRO 100 1HB PRO 100 11.136 3.355 -10.096 746 HB3 PRO 100 2HB PRO 100 9.728 4.322 -9.643 747 HG2 PRO 100 1HG PRO 100 12.630 5.056 -9.580 748 HG3 PRO 100 2HG PRO 100 11.244 6.017 -10.129 749 HD2 PRO 100 1HD PRO 100 12.384 6.362 -7.698 750 HD3 PRO 100 2HD PRO 100 10.651 6.618 -7.985 751 H LYS 101 H LYS 101 12.940 3.596 -6.562 752 HA LYS 101 HA LYS 101 14.166 1.260 -7.787 753 HB2 LYS 101 1HB LYS 101 15.137 3.311 -5.803 754 HB3 LYS 101 2HB LYS 101 16.073 1.876 -6.202 755 HG2 LYS 101 1HG LYS 101 15.128 3.836 -8.274 756 HG3 LYS 101 2HG LYS 101 16.679 3.980 -7.444 757 HD2 LYS 101 1HD LYS 101 15.843 1.495 -8.925 758 HD3 LYS 101 2HD LYS 101 16.717 2.821 -9.696 759 HE2 LYS 101 1HE LYS 101 18.453 1.448 -9.079 760 HE3 LYS 101 2HE LYS 101 18.355 2.517 -7.680 761 HZ1 LYS 101 1HZ LYS 101 18.288 -0.195 -7.609 762 HZ2 LYS 101 2HZ LYS 101 16.655 0.219 -7.456 763 HZ3 LYS 101 3HZ LYS 101 17.789 0.833 -6.361 764 H MET 102 H MET 102 13.373 2.347 -4.484 765 HA MET 102 HA MET 102 13.647 -0.380 -3.506 766 HB2 MET 102 1HB MET 102 13.375 2.312 -2.242 767 HB3 MET 102 2HB MET 102 12.907 0.895 -1.310 768 HG2 MET 102 1HG MET 102 15.592 1.188 -2.626 769 HG3 MET 102 2HG MET 102 15.257 1.705 -0.975 770 HE1 MET 102 1HE MET 102 14.850 0.581 0.810 771 HE2 MET 102 2HE MET 102 14.282 -1.083 0.950 772 HE3 MET 102 3HE MET 102 16.003 -0.722 1.098 773 H VAL 103 H VAL 103 11.156 2.068 -3.989 774 HA VAL 103 HA VAL 103 9.019 0.888 -2.685 775 HB VAL 103 HB VAL 103 9.035 2.492 -5.242 776 HG11 VAL 103 1HG1 VAL 103 6.914 1.847 -5.500 777 HG12 VAL 103 2HG1 VAL 103 6.863 1.095 -3.904 778 HG13 VAL 103 3HG1 VAL 103 6.559 2.824 -4.075 779 HG21 VAL 103 1HG2 VAL 103 8.349 3.296 -2.417 780 HG22 VAL 103 2HG2 VAL 103 9.894 3.611 -3.206 781 HG23 VAL 103 3HG2 VAL 103 8.419 4.350 -3.829 782 H MET 104 H MET 104 10.513 0.034 -5.720 783 HA MET 104 HA MET 104 8.440 -1.558 -6.775 784 HB2 MET 104 1HB MET 104 10.392 -0.746 -8.076 785 HB3 MET 104 2HB MET 104 11.419 -1.865 -7.190 786 HG2 MET 104 1HG MET 104 9.040 -2.877 -8.682 787 HG3 MET 104 2HG MET 104 10.535 -2.503 -9.537 788 HE1 MET 104 1HE MET 104 13.072 -3.739 -8.164 789 HE2 MET 104 2HE MET 104 12.817 -5.294 -8.955 790 HE3 MET 104 3HE MET 104 12.371 -3.801 -9.782 791 H THR 105 H THR 105 11.365 -2.479 -4.957 792 HA THR 105 HA THR 105 10.612 -5.216 -4.736 793 HB THR 105 HB THR 105 12.955 -4.597 -4.598 794 HG1 THR 105 1HG THR 105 12.818 -6.405 -3.457 795 HG21 THR 105 1HG2 THR 105 12.744 -2.408 -3.563 796 HG22 THR 105 2HG2 THR 105 13.835 -3.420 -2.616 797 HG23 THR 105 3HG2 THR 105 12.183 -3.147 -2.064 798 H VAL 106 H VAL 106 10.311 -2.400 -2.630 799 HA VAL 106 HA VAL 106 9.614 -3.444 -0.229 800 HB VAL 106 HB VAL 106 8.321 -1.129 -1.666 801 HG11 VAL 106 1HG1 VAL 106 6.769 -1.055 -0.080 802 HG12 VAL 106 2HG1 VAL 106 7.488 -2.440 0.745 803 HG13 VAL 106 3HG1 VAL 106 8.047 -0.806 1.109 804 HG21 VAL 106 1HG2 VAL 106 10.855 -1.414 -0.641 805 HG22 VAL 106 2HG2 VAL 106 10.030 0.116 -0.937 806 HG23 VAL 106 3HG2 VAL 106 9.988 -0.612 0.668 807 H PHE 107 H PHE 107 7.511 -3.195 -3.066 808 HA PHE 107 HA PHE 107 5.240 -4.320 -1.727 809 HB2 PHE 107 1HB PHE 107 5.877 -3.541 -4.546 810 HB3 PHE 107 2HB PHE 107 4.477 -4.562 -4.231 811 HD1 PHE 107 1HD PHE 107 2.844 -3.693 -2.392 812 HD2 PHE 107 2HD PHE 107 5.644 -1.253 -4.470 813 HE1 PHE 107 1HE PHE 107 1.514 -1.699 -1.835 814 HE2 PHE 107 2HE PHE 107 4.319 0.745 -3.917 815 HZ PHE 107 HZ PHE 107 2.251 0.524 -2.597 816 H ALA 108 H ALA 108 7.276 -5.516 -4.403 817 HA ALA 108 HA ALA 108 6.356 -8.034 -4.724 818 HB1 ALA 108 1HB ALA 108 9.301 -7.858 -4.525 819 HB2 ALA 108 2HB ALA 108 8.284 -8.488 -5.821 820 HB3 ALA 108 3HB ALA 108 8.510 -6.748 -5.644 821 H CYS 109 H CYS 109 8.709 -7.062 -2.236 822 HA CYS 109 HA CYS 109 9.209 -9.484 -1.052 823 HB2 CYS 109 1HB CYS 109 8.988 -6.714 0.096 824 HB3 CYS 109 2HB CYS 109 9.371 -8.088 1.124 825 HG CYS 109 HG CYS 109 11.780 -6.891 0.633 826 H LEU 110 H LEU 110 6.495 -7.296 -0.381 827 HA LEU 110 HA LEU 110 5.316 -8.787 1.672 828 HB2 LEU 110 1HB LEU 110 4.058 -6.963 -0.370 829 HB3 LEU 110 2HB LEU 110 3.226 -7.589 1.052 830 HG LEU 110 HG LEU 110 5.733 -5.964 1.320 831 HD11 LEU 110 1HD1 LEU 110 3.956 -4.797 -0.089 832 HD12 LEU 110 2HD1 LEU 110 4.542 -3.951 1.342 833 HD13 LEU 110 3HD1 LEU 110 2.981 -4.770 1.381 834 HD21 LEU 110 1HD2 LEU 110 4.451 -5.355 3.464 835 HD22 LEU 110 2HD2 LEU 110 5.174 -6.960 3.349 836 HD23 LEU 110 3HD2 LEU 110 3.442 -6.752 3.084 837 H MET 111 H MET 111 4.724 -8.843 -1.832 838 HA MET 111 HA MET 111 2.667 -10.723 -1.854 839 HB2 MET 111 1HB MET 111 3.170 -9.479 -3.841 840 HB3 MET 111 2HB MET 111 4.806 -10.121 -3.897 841 HG2 MET 111 1HG MET 111 3.565 -12.420 -4.071 842 HG3 MET 111 2HG MET 111 2.233 -11.414 -4.637 843 HE1 MET 111 1HE MET 111 3.200 -9.217 -5.917 844 HE2 MET 111 2HE MET 111 4.241 -9.354 -7.334 845 HE3 MET 111 3HE MET 111 2.592 -9.980 -7.386 846 H GLY 112 H GLY 112 6.183 -11.202 -2.030 847 HA2 GLY 112 1HA GLY 112 6.541 -13.794 -2.550 848 HA3 GLY 112 2HA GLY 112 7.394 -13.020 -1.223 849 H ARG 113 H ARG 113 5.324 -12.617 0.572 850 HA ARG 113 HA ARG 113 4.891 -15.355 1.466 851 HB2 ARG 113 1HB ARG 113 5.828 -13.661 3.019 852 HB3 ARG 113 2HB ARG 113 4.330 -12.749 2.892 853 HG2 ARG 113 1HG ARG 113 3.096 -14.569 3.900 854 HG3 ARG 113 2HG ARG 113 4.557 -15.558 3.952 855 HD2 ARG 113 1HD ARG 113 4.572 -12.878 5.257 856 HD3 ARG 113 2HD ARG 113 3.754 -14.216 6.063 857 HE ARG 113 HE ARG 113 5.804 -15.230 6.427 858 HH11 ARG 113 2HH1 ARG 113 6.166 -12.416 4.410 859 HH12 ARG 113 1HH1 ARG 113 7.891 -12.368 4.561 860 HH21 ARG 113 2HH2 ARG 113 8.075 -15.178 6.634 861 HH22 ARG 113 1HH2 ARG 113 8.976 -13.940 5.825 862 H GLY 114 H GLY 114 3.025 -12.448 0.683 863 HA2 GLY 114 1HA GLY 114 0.499 -13.039 1.412 864 HA3 GLY 114 2HA GLY 114 0.865 -12.309 -0.144 865 H MET 115 H MET 115 0.971 -13.621 -2.001 866 HA MET 115 HA MET 115 -0.925 -15.639 -2.180 867 HB2 MET 115 1HB MET 115 0.285 -16.221 -4.356 868 HB3 MET 115 2HB MET 115 -0.319 -14.578 -4.191 869 HG2 MET 115 1HG MET 115 1.798 -13.685 -3.931 870 HG3 MET 115 2HG MET 115 2.496 -15.227 -3.441 871 HE1 MET 115 1HE MET 115 0.786 -13.957 -7.264 872 HE2 MET 115 2HE MET 115 1.241 -12.931 -5.903 873 HE3 MET 115 3HE MET 115 2.359 -13.158 -7.250 874 H LYS 116 H LYS 116 -0.943 -17.664 -1.484 875 HA LYS 116 HA LYS 116 1.627 -18.986 -0.927 876 HB2 LYS 116 1HB LYS 116 -1.109 -19.279 0.292 877 HB3 LYS 116 2HB LYS 116 0.120 -20.521 0.492 878 HG2 LYS 116 1HG LYS 116 1.618 -18.815 1.479 879 HG3 LYS 116 2HG LYS 116 0.297 -17.649 1.376 880 HD2 LYS 116 1HD LYS 116 0.224 -18.463 3.581 881 HD3 LYS 116 2HD LYS 116 -1.066 -19.321 2.734 882 HE2 LYS 116 1HE LYS 116 -0.033 -21.030 3.891 883 HE3 LYS 116 2HE LYS 116 0.764 -21.120 2.322 884 HZ1 LYS 116 1HZ LYS 116 2.634 -21.035 3.511 885 HZ2 LYS 116 2HZ LYS 116 1.859 -20.459 4.900 886 HZ3 LYS 116 3HZ LYS 116 2.318 -19.381 3.679 887 H ARG 117 H ARG 117 2.076 -20.985 -1.755 888 HA ARG 117 HA ARG 117 0.097 -22.577 -3.084 889 HB2 ARG 117 1HB ARG 117 0.576 -20.812 -4.780 890 HB3 ARG 117 2HB ARG 117 2.258 -21.324 -4.785 891 HG2 ARG 117 1HG ARG 117 1.769 -23.350 -5.814 892 HG3 ARG 117 2HG ARG 117 0.061 -23.268 -5.376 893 HD2 ARG 117 1HD ARG 117 1.383 -21.332 -7.266 894 HD3 ARG 117 2HD ARG 117 0.597 -22.817 -7.798 895 HE ARG 117 HE ARG 117 -0.681 -20.394 -6.928 896 HH11 ARG 117 2HH1 ARG 117 -1.027 -23.836 -7.317 897 HH12 ARG 117 1HH1 ARG 117 -2.757 -23.784 -7.402 898 HH21 ARG 117 2HH2 ARG 117 -2.958 -20.312 -7.039 899 HH22 ARG 117 1HH2 ARG 117 -3.854 -21.779 -7.244 900 H VAL 118 H VAL 118 0.968 -24.605 -3.879 901 HA VAL 118 HA VAL 118 2.586 -25.963 -2.195 902 HB VAL 118 HB VAL 118 1.331 -27.044 -4.003 903 HG11 VAL 118 1HG1 VAL 118 1.625 -26.601 -6.169 904 HG12 VAL 118 2HG1 VAL 118 2.627 -25.244 -5.650 905 HG13 VAL 118 3HG1 VAL 118 3.374 -26.791 -6.051 906 HG21 VAL 118 1HG2 VAL 118 4.031 -27.690 -3.207 907 HG22 VAL 118 2HG2 VAL 118 2.641 -28.752 -3.431 908 HG23 VAL 118 3HG2 VAL 118 3.663 -28.336 -4.806 909 H SER 119 H SER 119 4.609 -25.714 -1.540 910 HA SER 119 HA SER 119 6.569 -24.571 -3.421 911 HB2 SER 119 1HB SER 119 7.746 -23.640 -1.511 912 HB3 SER 119 2HB SER 119 6.057 -23.135 -1.451 913 HG SER 119 HG SER 119 6.724 -25.488 -0.125 914 H GLY 120 H GLY 120 8.606 -25.493 -3.569 915 HA2 GLY 120 1HA GLY 120 8.758 -28.286 -3.159 916 HA3 GLY 120 2HA GLY 120 10.090 -27.245 -3.637 917 HA PRO 121 HA PRO 121 11.941 -28.073 0.261 918 HB2 PRO 121 1HB PRO 121 13.626 -25.948 0.400 919 HB3 PRO 121 2HB PRO 121 13.900 -27.323 -0.677 920 HG2 PRO 121 1HG PRO 121 12.730 -24.637 -1.294 921 HG3 PRO 121 2HG PRO 121 13.901 -25.588 -2.226 922 HD2 PRO 121 1HD PRO 121 11.269 -25.497 -2.855 923 HD3 PRO 121 2HD PRO 121 12.270 -26.935 -3.140 924 H SER 122 H SER 122 12.489 -26.889 2.356 925 HA SER 122 HA SER 122 10.147 -25.791 3.443 926 HB2 SER 122 1HB SER 122 12.989 -25.743 4.481 927 HB3 SER 122 2HB SER 122 11.578 -25.269 5.426 928 HG SER 122 HG SER 122 12.528 -27.746 4.876 929 H SER 123 H SER 123 9.673 -23.694 4.186 930 HA SER 123 HA SER 123 9.352 -21.477 3.633 931 HB2 SER 123 1HB SER 123 11.186 -21.668 5.446 932 HB3 SER 123 2HB SER 123 12.307 -21.232 4.157 933 HG SER 123 HG SER 123 10.032 -19.718 4.927 934 H GLY 124 H GLY 124 9.709 -22.934 1.288 935 HA2 GLY 124 1HA GLY 124 11.464 -21.197 -0.328 936 HA3 GLY 124 2HA GLY 124 10.985 -22.828 -0.773 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -3.569 -25.525 -8.359 2 HA2 GLY 1 1HA GLY 1 -1.462 -23.603 -7.677 3 HA3 GLY 1 2HA GLY 1 -1.329 -25.353 -7.591 4 H SER 2 H SER 2 -0.566 -22.612 -9.368 5 HA SER 2 HA SER 2 0.292 -24.285 -11.632 6 HB2 SER 2 1HB SER 2 -0.320 -22.595 -13.215 7 HB3 SER 2 2HB SER 2 -1.725 -22.862 -12.183 8 HG SER 2 HG SER 2 -0.625 -20.584 -12.672 9 H SER 3 H SER 3 1.998 -23.129 -12.969 10 HA SER 3 HA SER 3 3.644 -21.273 -11.437 11 HB2 SER 3 1HB SER 3 5.665 -22.666 -11.710 12 HB3 SER 3 2HB SER 3 4.447 -23.473 -10.722 13 HG SER 3 HG SER 3 4.756 -25.042 -12.094 14 H GLY 4 H GLY 4 4.267 -19.703 -12.756 15 HA2 GLY 4 1HA GLY 4 5.312 -20.263 -15.381 16 HA3 GLY 4 2HA GLY 4 3.752 -19.455 -15.416 17 H SER 5 H SER 5 5.240 -17.893 -16.603 18 HA SER 5 HA SER 5 7.260 -16.409 -15.647 19 HB2 SER 5 1HB SER 5 6.015 -16.035 -17.809 20 HB3 SER 5 2HB SER 5 4.824 -15.115 -16.889 21 HG SER 5 HG SER 5 6.177 -13.501 -16.750 22 H SER 6 H SER 6 7.494 -15.948 -13.531 23 HA SER 6 HA SER 6 5.505 -14.143 -12.333 24 HB2 SER 6 1HB SER 6 5.441 -16.584 -11.479 25 HB3 SER 6 2HB SER 6 6.965 -16.194 -10.681 26 HG SER 6 HG SER 6 4.421 -15.478 -10.017 27 H GLY 7 H GLY 7 6.423 -12.258 -11.897 28 HA2 GLY 7 1HA GLY 7 8.113 -11.232 -10.354 29 HA3 GLY 7 2HA GLY 7 9.292 -12.237 -11.184 30 H ASN 8 H ASN 8 7.278 -9.402 -11.386 31 HA ASN 8 HA ASN 8 9.058 -8.173 -13.251 32 HB2 ASN 8 1HB ASN 8 7.735 -9.573 -14.800 33 HB3 ASN 8 2HB ASN 8 6.261 -8.804 -14.219 34 HD21 ASN 8 1HD2 ASN 8 5.834 -8.135 -16.357 35 HD22 ASN 8 2HD2 ASN 8 6.654 -6.778 -17.045 36 H ASP 9 H ASP 9 8.588 -5.934 -13.592 37 HA ASP 9 HA ASP 9 7.709 -4.547 -11.383 38 HB2 ASP 9 1HB ASP 9 7.928 -3.742 -14.276 39 HB3 ASP 9 2HB ASP 9 7.410 -2.600 -13.040 40 H ASP 10 H ASP 10 5.887 -5.104 -14.394 41 HA ASP 10 HA ASP 10 3.511 -3.870 -13.579 42 HB2 ASP 10 1HB ASP 10 3.975 -6.116 -15.550 43 HB3 ASP 10 2HB ASP 10 2.437 -5.278 -15.358 44 H ILE 11 H ILE 11 4.139 -7.380 -13.769 45 HA ILE 11 HA ILE 11 1.964 -8.454 -12.655 46 HB ILE 11 HB ILE 11 4.822 -9.155 -12.001 47 HG12 ILE 11 1HG1 ILE 11 2.829 -10.590 -13.759 48 HG13 ILE 11 2HG1 ILE 11 3.943 -9.372 -14.369 49 HG21 ILE 11 1HG2 ILE 11 2.268 -10.497 -11.182 50 HG22 ILE 11 2HG2 ILE 11 3.776 -11.396 -11.339 51 HG23 ILE 11 3HG2 ILE 11 3.660 -10.065 -10.188 52 HD11 ILE 11 1HD1 ILE 11 4.728 -11.947 -13.025 53 HD12 ILE 11 2HD1 ILE 11 4.765 -11.628 -14.760 54 HD13 ILE 11 3HD1 ILE 11 5.831 -10.734 -13.676 55 H ILE 12 H ILE 12 4.685 -7.350 -10.623 56 HA ILE 12 HA ILE 12 3.629 -7.698 -8.139 57 HB ILE 12 HB ILE 12 5.223 -5.295 -9.039 58 HG12 ILE 12 1HG1 ILE 12 6.240 -7.809 -7.716 59 HG13 ILE 12 2HG1 ILE 12 6.177 -7.622 -9.465 60 HG21 ILE 12 1HG2 ILE 12 5.715 -4.839 -6.806 61 HG22 ILE 12 2HG2 ILE 12 3.993 -5.214 -6.786 62 HG23 ILE 12 3HG2 ILE 12 5.164 -6.424 -6.263 63 HD11 ILE 12 1HD1 ILE 12 7.625 -5.684 -7.692 64 HD12 ILE 12 2HD1 ILE 12 8.385 -7.134 -8.349 65 HD13 ILE 12 3HD1 ILE 12 7.766 -5.892 -9.437 66 H VAL 13 H VAL 13 3.051 -4.934 -10.287 67 HA VAL 13 HA VAL 13 1.473 -3.420 -8.535 68 HB VAL 13 HB VAL 13 1.436 -3.552 -11.551 69 HG11 VAL 13 1HG1 VAL 13 0.031 -1.683 -9.657 70 HG12 VAL 13 2HG1 VAL 13 0.333 -1.290 -11.351 71 HG13 VAL 13 3HG1 VAL 13 -0.675 -2.676 -10.932 72 HG21 VAL 13 1HG2 VAL 13 2.527 -1.206 -11.050 73 HG22 VAL 13 2HG2 VAL 13 2.953 -1.983 -9.526 74 HG23 VAL 13 3HG2 VAL 13 3.495 -2.680 -11.052 75 H ASN 14 H ASN 14 0.441 -5.627 -11.141 76 HA ASN 14 HA ASN 14 -2.290 -5.481 -10.755 77 HB2 ASN 14 1HB ASN 14 -0.462 -7.587 -11.829 78 HB3 ASN 14 2HB ASN 14 -2.151 -8.002 -11.552 79 HD21 ASN 14 1HD2 ASN 14 -0.816 -7.922 -14.059 80 HD22 ASN 14 2HD2 ASN 14 -1.596 -6.719 -15.023 81 H TRP 15 H TRP 15 0.086 -7.469 -9.065 82 HA TRP 15 HA TRP 15 -1.718 -9.051 -7.601 83 HB2 TRP 15 1HB TRP 15 0.738 -9.486 -7.858 84 HB3 TRP 15 2HB TRP 15 1.039 -8.174 -6.721 85 HD1 TRP 15 HD TRP 15 -0.123 -11.791 -6.880 86 HE1 TRP 15 1HE TRP 15 -0.257 -12.732 -4.488 87 HE3 TRP 15 3HE TRP 15 0.597 -7.459 -4.261 88 HZ2 TRP 15 2HZ TRP 15 -0.082 -11.766 -1.842 89 HZ3 TRP 15 3HZ TRP 15 0.598 -7.554 -1.802 90 HH2 TRP 15 HH TRP 15 0.265 -9.664 -0.620 91 H VAL 16 H VAL 16 0.080 -6.143 -6.580 92 HA VAL 16 HA VAL 16 -0.883 -5.798 -4.056 93 HB VAL 16 HB VAL 16 -0.475 -3.603 -6.092 94 HG11 VAL 16 1HG1 VAL 16 -1.724 -3.237 -3.776 95 HG12 VAL 16 2HG1 VAL 16 -0.062 -3.169 -3.188 96 HG13 VAL 16 3HG1 VAL 16 -0.603 -2.048 -4.437 97 HG21 VAL 16 1HG2 VAL 16 1.768 -3.547 -5.500 98 HG22 VAL 16 2HG2 VAL 16 1.498 -4.429 -3.997 99 HG23 VAL 16 3HG2 VAL 16 1.423 -5.276 -5.542 100 H ASN 17 H ASN 17 -2.524 -4.992 -7.075 101 HA ASN 17 HA ASN 17 -4.751 -3.712 -5.845 102 HB2 ASN 17 1HB ASN 17 -4.059 -4.652 -8.583 103 HB3 ASN 17 2HB ASN 17 -5.766 -4.407 -8.221 104 HD21 ASN 17 1HD2 ASN 17 -2.618 -2.812 -7.967 105 HD22 ASN 17 2HD2 ASN 17 -3.208 -1.216 -8.264 106 H ARG 18 H ARG 18 -4.143 -6.990 -7.036 107 HA ARG 18 HA ARG 18 -6.742 -7.994 -6.623 108 HB2 ARG 18 1HB ARG 18 -4.931 -9.078 -7.987 109 HB3 ARG 18 2HB ARG 18 -4.162 -9.557 -6.480 110 HG2 ARG 18 1HG ARG 18 -6.073 -10.907 -5.887 111 HG3 ARG 18 2HG ARG 18 -6.939 -10.358 -7.323 112 HD2 ARG 18 1HD ARG 18 -6.090 -12.479 -7.882 113 HD3 ARG 18 2HD ARG 18 -5.014 -11.324 -8.668 114 HE ARG 18 HE ARG 18 -3.820 -11.822 -6.273 115 HH11 ARG 18 2HH1 ARG 18 -4.939 -13.808 -8.904 116 HH12 ARG 18 1HH1 ARG 18 -3.749 -15.041 -8.651 117 HH21 ARG 18 2HH2 ARG 18 -2.248 -13.439 -5.930 118 HH22 ARG 18 1HH2 ARG 18 -2.219 -14.831 -6.958 119 H THR 19 H THR 19 -3.864 -7.971 -4.553 120 HA THR 19 HA THR 19 -4.925 -9.467 -2.430 121 HB THR 19 HB THR 19 -2.849 -7.272 -2.285 122 HG1 THR 19 1HG THR 19 -2.460 -9.136 -3.740 123 HG21 THR 19 1HG2 THR 19 -2.303 -9.257 -0.405 124 HG22 THR 19 2HG2 THR 19 -4.040 -8.980 -0.279 125 HG23 THR 19 3HG2 THR 19 -2.916 -7.636 -0.084 126 H LEU 20 H LEU 20 -5.108 -6.036 -3.193 127 HA LEU 20 HA LEU 20 -6.174 -5.167 -0.729 128 HB2 LEU 20 1HB LEU 20 -6.352 -4.039 -3.513 129 HB3 LEU 20 2HB LEU 20 -7.014 -3.222 -2.098 130 HG LEU 20 HG LEU 20 -4.118 -3.984 -2.198 131 HD11 LEU 20 1HD1 LEU 20 -4.783 -1.236 -2.976 132 HD12 LEU 20 2HD1 LEU 20 -5.178 -2.463 -4.179 133 HD13 LEU 20 3HD1 LEU 20 -3.527 -2.318 -3.577 134 HD21 LEU 20 1HD2 LEU 20 -5.735 -2.846 -0.274 135 HD22 LEU 20 2HD2 LEU 20 -4.913 -1.461 -0.994 136 HD23 LEU 20 3HD2 LEU 20 -3.973 -2.793 -0.319 137 H SER 21 H SER 21 -7.684 -6.312 -3.711 138 HA SER 21 HA SER 21 -10.355 -5.789 -2.890 139 HB2 SER 21 1HB SER 21 -9.359 -6.268 -5.276 140 HB3 SER 21 2HB SER 21 -9.697 -7.948 -4.862 141 HG SER 21 HG SER 21 -11.775 -7.578 -5.022 142 H GLU 22 H GLU 22 -8.288 -8.661 -2.801 143 HA GLU 22 HA GLU 22 -9.941 -10.661 -2.089 144 HB2 GLU 22 1HB GLU 22 -7.196 -9.930 -1.209 145 HB3 GLU 22 2HB GLU 22 -8.016 -11.204 -0.317 146 HG2 GLU 22 1HG GLU 22 -8.469 -12.221 -2.647 147 HG3 GLU 22 2HG GLU 22 -7.175 -11.150 -3.182 148 H ALA 23 H ALA 23 -8.749 -8.164 0.138 149 HA ALA 23 HA ALA 23 -10.502 -9.147 2.247 150 HB1 ALA 23 1HB ALA 23 -9.068 -6.663 2.777 151 HB2 ALA 23 2HB ALA 23 -9.089 -8.178 3.682 152 HB3 ALA 23 3HB ALA 23 -8.015 -7.993 2.295 153 H GLY 24 H GLY 24 -10.113 -6.320 0.161 154 HA2 GLY 24 1HA GLY 24 -12.136 -5.226 -0.638 155 HA3 GLY 24 2HA GLY 24 -12.832 -5.489 0.954 156 H LYS 25 H LYS 25 -9.751 -4.108 -0.187 157 HA LYS 25 HA LYS 25 -10.040 -1.940 1.731 158 HB2 LYS 25 1HB LYS 25 -7.783 -2.535 -0.191 159 HB3 LYS 25 2HB LYS 25 -7.749 -1.353 1.110 160 HG2 LYS 25 1HG LYS 25 -8.193 -4.283 1.597 161 HG3 LYS 25 2HG LYS 25 -6.588 -3.550 1.550 162 HD2 LYS 25 1HD LYS 25 -6.905 -2.405 3.507 163 HD3 LYS 25 2HD LYS 25 -8.653 -2.298 3.288 164 HE2 LYS 25 1HE LYS 25 -8.477 -4.924 3.574 165 HE3 LYS 25 2HE LYS 25 -7.003 -4.490 4.438 166 HZ1 LYS 25 1HZ LYS 25 -9.791 -3.974 5.140 167 HZ2 LYS 25 2HZ LYS 25 -8.656 -2.794 5.565 168 HZ3 LYS 25 3HZ LYS 25 -8.484 -4.378 6.134 169 H SER 26 H SER 26 -9.816 0.290 1.123 170 HA SER 26 HA SER 26 -11.006 0.830 -1.506 171 HB2 SER 26 1HB SER 26 -10.962 2.399 1.072 172 HB3 SER 26 2HB SER 26 -11.484 3.110 -0.455 173 HG SER 26 HG SER 26 -12.732 1.222 1.150 174 H THR 27 H THR 27 -8.194 0.275 -1.216 175 HA THR 27 HA THR 27 -7.129 2.836 -2.195 176 HB THR 27 HB THR 27 -4.916 2.211 -1.176 177 HG1 THR 27 1HG THR 27 -6.564 0.241 0.039 178 HG21 THR 27 1HG2 THR 27 -6.934 2.476 1.018 179 HG22 THR 27 2HG2 THR 27 -6.752 3.767 -0.170 180 HG23 THR 27 3HG2 THR 27 -5.379 3.283 0.825 181 H SER 28 H SER 28 -5.207 2.589 -3.573 182 HA SER 28 HA SER 28 -4.364 0.104 -4.592 183 HB2 SER 28 1HB SER 28 -5.446 0.043 -6.747 184 HB3 SER 28 2HB SER 28 -6.700 0.133 -5.510 185 HG SER 28 HG SER 28 -6.338 2.573 -5.986 186 H ILE 29 H ILE 29 -2.903 0.330 -6.430 187 HA ILE 29 HA ILE 29 -2.035 3.091 -6.934 188 HB ILE 29 HB ILE 29 0.342 2.304 -6.816 189 HG12 ILE 29 1HG1 ILE 29 -0.574 0.029 -5.110 190 HG13 ILE 29 2HG1 ILE 29 -0.567 -0.184 -6.857 191 HG21 ILE 29 1HG2 ILE 29 -1.483 2.881 -4.658 192 HG22 ILE 29 2HG2 ILE 29 -0.134 1.891 -4.102 193 HG23 ILE 29 3HG2 ILE 29 0.175 3.430 -4.906 194 HD11 ILE 29 1HD1 ILE 29 1.710 0.187 -4.982 195 HD12 ILE 29 2HD1 ILE 29 1.505 -0.968 -6.299 196 HD13 ILE 29 3HD1 ILE 29 1.874 0.720 -6.655 197 H GLN 30 H GLN 30 -0.806 3.378 -8.878 198 HA GLN 30 HA GLN 30 -1.506 1.398 -10.917 199 HB2 GLN 30 1HB GLN 30 -0.690 4.296 -11.079 200 HB3 GLN 30 2HB GLN 30 -0.826 3.268 -12.499 201 HG2 GLN 30 1HG GLN 30 -2.832 4.558 -12.246 202 HG3 GLN 30 2HG GLN 30 -3.187 2.857 -11.946 203 HE21 GLN 30 1HE2 GLN 30 -2.820 6.008 -10.511 204 HE22 GLN 30 2HE2 GLN 30 -3.599 5.638 -9.014 205 H SER 31 H SER 31 1.251 3.093 -9.536 206 HA SER 31 HA SER 31 3.039 1.016 -10.363 207 HB2 SER 31 1HB SER 31 4.412 2.201 -11.884 208 HB3 SER 31 2HB SER 31 2.763 2.518 -12.423 209 HG SER 31 HG SER 31 4.506 4.316 -11.975 210 H PHE 32 H PHE 32 5.427 1.868 -9.913 211 HA PHE 32 HA PHE 32 5.394 2.710 -7.157 212 HB2 PHE 32 1HB PHE 32 7.889 2.322 -8.786 213 HB3 PHE 32 2HB PHE 32 7.639 2.044 -7.065 214 HD1 PHE 32 1HD PHE 32 5.783 0.204 -6.549 215 HD2 PHE 32 2HD PHE 32 8.041 0.488 -10.146 216 HE1 PHE 32 1HE PHE 32 5.368 -2.180 -6.993 217 HE2 PHE 32 2HE PHE 32 7.629 -1.896 -10.597 218 HZ PHE 32 HZ PHE 32 6.290 -3.233 -9.020 219 H LYS 33 H LYS 33 4.888 4.500 -9.673 220 HA LYS 33 HA LYS 33 6.747 6.656 -8.916 221 HB2 LYS 33 1HB LYS 33 5.277 6.105 -11.491 222 HB3 LYS 33 2HB LYS 33 6.041 7.652 -11.151 223 HG2 LYS 33 1HG LYS 33 8.141 6.157 -10.676 224 HG3 LYS 33 2HG LYS 33 7.278 5.001 -11.695 225 HD2 LYS 33 1HD LYS 33 7.668 7.845 -12.567 226 HD3 LYS 33 2HD LYS 33 8.932 6.637 -12.810 227 HE2 LYS 33 1HE LYS 33 7.033 5.229 -13.873 228 HE3 LYS 33 2HE LYS 33 6.184 6.770 -13.993 229 HZ1 LYS 33 1HZ LYS 33 7.637 7.557 -15.537 230 HZ2 LYS 33 2HZ LYS 33 7.726 5.911 -15.912 231 HZ3 LYS 33 3HZ LYS 33 8.938 6.632 -14.978 232 H ASP 34 H ASP 34 3.426 5.706 -9.157 233 HA ASP 34 HA ASP 34 2.019 8.037 -9.234 234 HB2 ASP 34 1HB ASP 34 1.179 5.617 -8.927 235 HB3 ASP 34 2HB ASP 34 1.336 5.926 -7.200 236 H LYS 35 H LYS 35 1.289 9.567 -7.739 237 HA LYS 35 HA LYS 35 3.173 10.126 -5.610 238 HB2 LYS 35 1HB LYS 35 0.760 11.692 -6.545 239 HB3 LYS 35 2HB LYS 35 1.973 12.260 -5.406 240 HG2 LYS 35 1HG LYS 35 2.720 11.409 -8.179 241 HG3 LYS 35 2HG LYS 35 2.137 13.039 -7.836 242 HD2 LYS 35 1HD LYS 35 4.462 11.758 -6.408 243 HD3 LYS 35 2HD LYS 35 4.633 12.784 -7.834 244 HE2 LYS 35 1HE LYS 35 3.240 14.487 -6.459 245 HE3 LYS 35 2HE LYS 35 3.723 13.507 -5.075 246 HZ1 LYS 35 1HZ LYS 35 6.061 13.829 -5.825 247 HZ2 LYS 35 2HZ LYS 35 5.295 15.247 -5.313 248 HZ3 LYS 35 3HZ LYS 35 5.499 14.946 -6.965 249 H THR 36 H THR 36 0.813 8.038 -5.672 250 HA THR 36 HA THR 36 -0.689 8.840 -3.328 251 HB THR 36 HB THR 36 -1.577 6.401 -3.588 252 HG1 THR 36 1HG THR 36 -0.213 5.510 -5.047 253 HG21 THR 36 1HG2 THR 36 -2.495 8.787 -4.415 254 HG22 THR 36 2HG2 THR 36 -3.338 7.269 -4.727 255 HG23 THR 36 3HG2 THR 36 -2.317 7.984 -5.974 256 H ILE 37 H ILE 37 1.813 6.495 -4.176 257 HA ILE 37 HA ILE 37 1.920 4.986 -1.870 258 HB ILE 37 HB ILE 37 4.259 5.926 -3.534 259 HG12 ILE 37 1HG1 ILE 37 3.007 3.212 -3.712 260 HG13 ILE 37 2HG1 ILE 37 2.241 4.565 -4.537 261 HG21 ILE 37 1HG2 ILE 37 5.634 4.598 -2.357 262 HG22 ILE 37 2HG2 ILE 37 4.415 4.749 -1.093 263 HG23 ILE 37 3HG2 ILE 37 4.413 3.342 -2.156 264 HD11 ILE 37 1HD1 ILE 37 4.562 3.025 -5.278 265 HD12 ILE 37 2HD1 ILE 37 3.595 4.146 -6.237 266 HD13 ILE 37 3HD1 ILE 37 4.916 4.752 -5.238 267 H SER 38 H SER 38 3.286 8.181 -2.480 268 HA SER 38 HA SER 38 4.940 8.544 -0.338 269 HB2 SER 38 1HB SER 38 4.405 10.938 -0.461 270 HB3 SER 38 2HB SER 38 4.566 10.248 -2.076 271 HG SER 38 HG SER 38 2.200 10.022 -1.985 272 H SER 39 H SER 39 1.419 8.642 -0.361 273 HA SER 39 HA SER 39 1.160 9.524 2.341 274 HB2 SER 39 1HB SER 39 -1.192 9.114 2.075 275 HB3 SER 39 2HB SER 39 -0.600 9.780 0.554 276 HG SER 39 HG SER 39 -0.316 7.307 0.147 277 H SER 40 H SER 40 1.588 6.451 0.797 278 HA SER 40 HA SER 40 1.918 4.354 1.615 279 HB2 SER 40 1HB SER 40 2.038 5.612 4.361 280 HB3 SER 40 2HB SER 40 2.756 4.086 3.846 281 HG SER 40 HG SER 40 4.323 5.145 2.818 282 H LEU 41 H LEU 41 -0.769 5.595 1.454 283 HA LEU 41 HA LEU 41 -2.286 4.430 3.616 284 HB2 LEU 41 1HB LEU 41 -3.150 5.733 1.040 285 HB3 LEU 41 2HB LEU 41 -4.247 5.204 2.314 286 HG LEU 41 HG LEU 41 -2.120 7.311 2.681 287 HD11 LEU 41 1HD1 LEU 41 -4.506 7.516 1.228 288 HD12 LEU 41 2HD1 LEU 41 -3.465 8.826 1.783 289 HD13 LEU 41 3HD1 LEU 41 -4.815 8.288 2.783 290 HD21 LEU 41 1HD2 LEU 41 -4.065 7.709 4.551 291 HD22 LEU 41 2HD2 LEU 41 -2.552 6.846 4.829 292 HD23 LEU 41 3HD2 LEU 41 -4.021 5.950 4.441 293 H ALA 42 H ALA 42 -1.540 3.679 0.265 294 HA ALA 42 HA ALA 42 -3.370 1.482 0.087 295 HB1 ALA 42 1HB ALA 42 -2.848 2.505 -1.959 296 HB2 ALA 42 2HB ALA 42 -1.113 2.440 -1.647 297 HB3 ALA 42 3HB ALA 42 -2.002 0.957 -1.997 298 H VAL 43 H VAL 43 0.050 1.861 0.836 299 HA VAL 43 HA VAL 43 0.822 -0.826 0.728 300 HB VAL 43 HB VAL 43 1.889 1.310 2.580 301 HG11 VAL 43 1HG1 VAL 43 3.887 -0.503 1.749 302 HG12 VAL 43 2HG1 VAL 43 3.241 -0.262 3.373 303 HG13 VAL 43 3HG1 VAL 43 2.514 -1.460 2.302 304 HG21 VAL 43 1HG2 VAL 43 2.222 0.799 -0.306 305 HG22 VAL 43 2HG2 VAL 43 2.366 2.302 0.605 306 HG23 VAL 43 3HG2 VAL 43 3.698 1.146 0.595 307 H VAL 44 H VAL 44 -0.010 1.084 3.629 308 HA VAL 44 HA VAL 44 0.025 -0.922 5.503 309 HB VAL 44 HB VAL 44 -1.944 1.367 5.395 310 HG11 VAL 44 1HG1 VAL 44 -1.144 -0.543 7.561 311 HG12 VAL 44 2HG1 VAL 44 -1.748 1.070 7.946 312 HG13 VAL 44 3HG1 VAL 44 -2.760 -0.060 7.045 313 HG21 VAL 44 1HG2 VAL 44 0.741 1.226 6.760 314 HG22 VAL 44 2HG2 VAL 44 0.441 2.037 5.223 315 HG23 VAL 44 3HG2 VAL 44 -0.345 2.615 6.693 316 H ASP 45 H ASP 45 -2.666 0.008 3.388 317 HA ASP 45 HA ASP 45 -4.587 -1.746 4.421 318 HB2 ASP 45 1HB ASP 45 -4.216 -0.471 1.721 319 HB3 ASP 45 2HB ASP 45 -5.555 -1.572 2.032 320 H LEU 46 H LEU 46 -1.882 -2.295 2.321 321 HA LEU 46 HA LEU 46 -2.772 -4.797 1.272 322 HB2 LEU 46 1HB LEU 46 -1.071 -3.333 0.199 323 HB3 LEU 46 2HB LEU 46 0.044 -3.748 1.499 324 HG LEU 46 HG LEU 46 -0.129 -6.138 0.767 325 HD11 LEU 46 1HD1 LEU 46 -2.319 -5.405 -0.589 326 HD12 LEU 46 2HD1 LEU 46 -1.339 -6.807 -1.019 327 HD13 LEU 46 3HD1 LEU 46 -1.122 -5.282 -1.878 328 HD21 LEU 46 1HD2 LEU 46 0.831 -4.711 -1.624 329 HD22 LEU 46 2HD2 LEU 46 1.659 -5.863 -0.576 330 HD23 LEU 46 3HD2 LEU 46 1.510 -4.175 -0.087 331 H ILE 47 H ILE 47 -0.335 -3.936 3.728 332 HA ILE 47 HA ILE 47 0.383 -6.478 4.530 333 HB ILE 47 HB ILE 47 0.142 -3.982 6.209 334 HG12 ILE 47 1HG1 ILE 47 2.718 -5.185 5.286 335 HG13 ILE 47 2HG1 ILE 47 1.755 -4.269 4.132 336 HG21 ILE 47 1HG2 ILE 47 0.835 -6.721 6.933 337 HG22 ILE 47 2HG2 ILE 47 2.066 -5.542 7.382 338 HG23 ILE 47 3HG2 ILE 47 0.410 -5.350 7.957 339 HD11 ILE 47 1HD1 ILE 47 2.896 -3.283 6.732 340 HD12 ILE 47 2HD1 ILE 47 3.376 -2.815 5.101 341 HD13 ILE 47 3HD1 ILE 47 1.788 -2.360 5.718 342 H ASP 48 H ASP 48 -2.532 -4.711 5.201 343 HA ASP 48 HA ASP 48 -3.403 -6.251 7.425 344 HB2 ASP 48 1HB ASP 48 -4.275 -3.982 6.825 345 HB3 ASP 48 2HB ASP 48 -5.113 -4.715 5.460 346 H ALA 49 H ALA 49 -4.302 -6.324 3.978 347 HA ALA 49 HA ALA 49 -6.122 -8.354 3.949 348 HB1 ALA 49 1HB ALA 49 -3.955 -8.198 1.876 349 HB2 ALA 49 2HB ALA 49 -5.643 -8.667 1.672 350 HB3 ALA 49 3HB ALA 49 -5.228 -6.984 1.997 351 H ILE 50 H ILE 50 -2.593 -8.782 3.648 352 HA ILE 50 HA ILE 50 -2.614 -11.584 3.624 353 HB ILE 50 HB ILE 50 -0.407 -9.831 4.706 354 HG12 ILE 50 1HG1 ILE 50 -0.439 -10.842 1.897 355 HG13 ILE 50 2HG1 ILE 50 -1.429 -9.440 2.287 356 HG21 ILE 50 1HG2 ILE 50 0.153 -12.329 3.237 357 HG22 ILE 50 2HG2 ILE 50 0.961 -11.629 4.639 358 HG23 ILE 50 3HG2 ILE 50 -0.555 -12.506 4.842 359 HD11 ILE 50 1HD1 ILE 50 1.549 -9.714 2.555 360 HD12 ILE 50 2HD1 ILE 50 0.649 -8.647 1.477 361 HD13 ILE 50 3HD1 ILE 50 0.628 -8.364 3.217 362 H GLN 51 H GLN 51 -1.703 -9.451 6.340 363 HA GLN 51 HA GLN 51 -2.669 -11.547 8.171 364 HB2 GLN 51 1HB GLN 51 -0.308 -11.500 8.402 365 HB3 GLN 51 2HB GLN 51 -0.268 -9.742 8.396 366 HG2 GLN 51 1HG GLN 51 -0.898 -9.577 10.581 367 HG3 GLN 51 2HG GLN 51 -1.781 -11.102 10.556 368 HE21 GLN 51 1HE2 GLN 51 1.244 -9.557 11.092 369 HE22 GLN 51 2HE2 GLN 51 2.104 -10.948 11.650 370 HA PRO 52 HA PRO 52 -5.206 -7.774 8.919 371 HB2 PRO 52 1HB PRO 52 -7.498 -9.150 9.394 372 HB3 PRO 52 2HB PRO 52 -6.964 -8.706 7.769 373 HG2 PRO 52 1HG PRO 52 -6.689 -11.318 9.205 374 HG3 PRO 52 2HG PRO 52 -7.146 -11.011 7.520 375 HD2 PRO 52 1HD PRO 52 -4.650 -11.776 8.235 376 HD3 PRO 52 2HD PRO 52 -4.962 -10.711 6.849 377 H GLY 53 H GLY 53 -6.516 -7.214 10.855 378 HA2 GLY 53 1HA GLY 53 -7.069 -7.413 13.121 379 HA3 GLY 53 2HA GLY 53 -6.149 -8.908 13.191 380 H CYS 54 H CYS 54 -3.832 -7.530 11.872 381 HA CYS 54 HA CYS 54 -2.686 -6.476 14.327 382 HB2 CYS 54 1HB CYS 54 -0.593 -6.894 13.402 383 HB3 CYS 54 2HB CYS 54 -1.577 -8.165 12.687 384 HG CYS 54 HG CYS 54 -1.560 -7.291 10.188 385 H ILE 55 H ILE 55 -3.585 -5.398 11.117 386 HA ILE 55 HA ILE 55 -2.344 -2.821 11.370 387 HB ILE 55 HB ILE 55 -4.402 -3.831 9.404 388 HG12 ILE 55 1HG1 ILE 55 -2.154 -4.917 9.334 389 HG13 ILE 55 2HG1 ILE 55 -2.556 -4.039 7.862 390 HG21 ILE 55 1HG2 ILE 55 -3.086 -1.184 9.739 391 HG22 ILE 55 2HG2 ILE 55 -3.388 -1.779 8.107 392 HG23 ILE 55 3HG2 ILE 55 -4.730 -1.573 9.233 393 HD11 ILE 55 1HD1 ILE 55 -0.239 -3.815 9.354 394 HD12 ILE 55 2HD1 ILE 55 -0.778 -2.734 8.068 395 HD13 ILE 55 3HD1 ILE 55 -1.156 -2.362 9.750 396 H ASN 56 H ASN 56 -3.113 -1.116 12.418 397 HA ASN 56 HA ASN 56 -6.002 -1.006 12.990 398 HB2 ASN 56 1HB ASN 56 -4.320 -1.404 14.939 399 HB3 ASN 56 2HB ASN 56 -3.954 0.308 14.751 400 HD21 ASN 56 1HD2 ASN 56 -4.767 0.829 16.764 401 HD22 ASN 56 2HD2 ASN 56 -6.460 0.827 17.109 402 H TYR 57 H TYR 57 -6.659 0.354 11.390 403 HA TYR 57 HA TYR 57 -5.277 2.544 10.370 404 HB2 TYR 57 1HB TYR 57 -8.251 2.037 10.549 405 HB3 TYR 57 2HB TYR 57 -7.533 3.343 9.612 406 HD1 TYR 57 2HD TYR 57 -5.579 2.494 7.971 407 HD2 TYR 57 1HD TYR 57 -8.797 0.112 9.410 408 HE1 TYR 57 2HE TYR 57 -5.302 0.974 6.057 409 HE2 TYR 57 1HE TYR 57 -8.529 -1.415 7.501 410 HH TYR 57 HH TYR 57 -6.839 -2.073 5.893 411 H ASP 58 H ASP 58 -7.433 2.297 13.140 412 HA ASP 58 HA ASP 58 -8.107 4.797 13.805 413 HB2 ASP 58 1HB ASP 58 -6.934 2.660 15.578 414 HB3 ASP 58 2HB ASP 58 -7.541 4.180 16.229 415 H LEU 59 H LEU 59 -4.840 3.484 14.069 416 HA LEU 59 HA LEU 59 -3.797 5.983 15.102 417 HB2 LEU 59 1HB LEU 59 -2.271 3.550 14.198 418 HB3 LEU 59 2HB LEU 59 -1.678 4.865 15.210 419 HG LEU 59 HG LEU 59 -3.886 3.002 16.064 420 HD11 LEU 59 1HD1 LEU 59 -1.629 2.364 17.521 421 HD12 LEU 59 2HD1 LEU 59 -1.032 2.521 15.869 422 HD13 LEU 59 3HD1 LEU 59 -2.348 1.403 16.229 423 HD21 LEU 59 1HD2 LEU 59 -2.048 4.777 17.664 424 HD22 LEU 59 2HD2 LEU 59 -3.410 3.833 18.268 425 HD23 LEU 59 3HD2 LEU 59 -3.693 5.203 17.194 426 H VAL 60 H VAL 60 -3.646 4.095 12.114 427 HA VAL 60 HA VAL 60 -1.810 5.660 10.712 428 HB VAL 60 HB VAL 60 -4.165 4.117 9.617 429 HG11 VAL 60 1HG1 VAL 60 -1.672 4.765 8.094 430 HG12 VAL 60 2HG1 VAL 60 -3.261 4.294 7.488 431 HG13 VAL 60 3HG1 VAL 60 -3.012 5.909 8.151 432 HG21 VAL 60 1HG2 VAL 60 -1.771 3.257 10.870 433 HG22 VAL 60 2HG2 VAL 60 -3.022 2.276 10.106 434 HG23 VAL 60 3HG2 VAL 60 -1.658 2.861 9.155 435 H LYS 61 H LYS 61 -1.935 7.512 9.556 436 HA LYS 61 HA LYS 61 -4.382 9.083 9.846 437 HB2 LYS 61 1HB LYS 61 -1.515 9.744 9.272 438 HB3 LYS 61 2HB LYS 61 -2.776 10.892 8.842 439 HG2 LYS 61 1HG LYS 61 -2.743 9.777 11.600 440 HG3 LYS 61 2HG LYS 61 -1.560 11.012 11.161 441 HD2 LYS 61 1HD LYS 61 -3.598 12.312 10.250 442 HD3 LYS 61 2HD LYS 61 -4.552 11.202 11.236 443 HE2 LYS 61 1HE LYS 61 -4.185 13.091 12.592 444 HE3 LYS 61 2HE LYS 61 -3.054 11.869 13.173 445 HZ1 LYS 61 1HZ LYS 61 -2.512 14.444 12.125 446 HZ2 LYS 61 2HZ LYS 61 -1.720 13.268 11.204 447 HZ3 LYS 61 3HZ LYS 61 -1.456 13.354 12.873 448 H SER 62 H SER 62 -4.743 10.653 7.907 449 HA SER 62 HA SER 62 -4.138 9.620 5.302 450 HB2 SER 62 1HB SER 62 -7.014 9.463 6.235 451 HB3 SER 62 2HB SER 62 -6.407 9.050 4.632 452 HG SER 62 HG SER 62 -6.351 7.601 6.968 453 H GLY 63 H GLY 63 -5.703 10.821 3.644 454 HA2 GLY 63 1HA GLY 63 -6.538 12.816 2.832 455 HA3 GLY 63 2HA GLY 63 -6.635 13.400 4.486 456 H ASN 64 H ASN 64 -5.741 15.393 4.204 457 HA ASN 64 HA ASN 64 -3.403 15.871 2.663 458 HB2 ASN 64 1HB ASN 64 -4.478 17.622 4.878 459 HB3 ASN 64 2HB ASN 64 -3.504 18.115 3.496 460 HD21 ASN 64 1HD2 ASN 64 -6.617 17.691 4.713 461 HD22 ASN 64 2HD2 ASN 64 -7.496 17.985 3.254 462 H LEU 65 H LEU 65 -1.887 14.337 3.431 463 HA LEU 65 HA LEU 65 -0.989 14.502 6.181 464 HB2 LEU 65 1HB LEU 65 0.183 12.930 3.894 465 HB3 LEU 65 2HB LEU 65 0.517 12.707 5.610 466 HG LEU 65 HG LEU 65 -2.205 12.268 4.398 467 HD11 LEU 65 1HD1 LEU 65 -0.164 10.144 5.009 468 HD12 LEU 65 2HD1 LEU 65 -0.435 10.796 3.393 469 HD13 LEU 65 3HD1 LEU 65 -1.735 9.950 4.232 470 HD21 LEU 65 1HD2 LEU 65 -1.210 10.924 6.851 471 HD22 LEU 65 2HD2 LEU 65 -2.839 11.454 6.429 472 HD23 LEU 65 3HD2 LEU 65 -1.638 12.632 6.962 473 H THR 66 H THR 66 0.461 15.923 6.851 474 HA THR 66 HA THR 66 1.965 17.521 4.998 475 HB THR 66 HB THR 66 2.865 18.648 6.983 476 HG1 THR 66 1HG THR 66 1.278 16.943 8.594 477 HG21 THR 66 1HG2 THR 66 0.061 18.378 6.345 478 HG22 THR 66 2HG2 THR 66 0.971 19.816 6.811 479 HG23 THR 66 3HG2 THR 66 0.285 18.765 8.050 480 H GLU 67 H GLU 67 4.351 17.890 5.399 481 HA GLU 67 HA GLU 67 5.912 15.853 4.645 482 HB2 GLU 67 1HB GLU 67 7.831 16.968 5.692 483 HB3 GLU 67 2HB GLU 67 6.760 18.125 4.915 484 HG2 GLU 67 1HG GLU 67 5.721 18.302 7.313 485 HG3 GLU 67 2HG GLU 67 7.296 17.682 7.805 486 H ASP 68 H ASP 68 5.044 16.542 8.009 487 HA ASP 68 HA ASP 68 6.559 14.386 9.097 488 HB2 ASP 68 1HB ASP 68 5.974 16.320 10.464 489 HB3 ASP 68 2HB ASP 68 4.260 15.964 10.271 490 H ASP 69 H ASP 69 3.052 14.852 8.648 491 HA ASP 69 HA ASP 69 2.092 12.454 9.503 492 HB2 ASP 69 1HB ASP 69 1.203 13.953 7.029 493 HB3 ASP 69 2HB ASP 69 0.263 12.714 7.857 494 H LYS 70 H LYS 70 2.982 13.084 6.104 495 HA LYS 70 HA LYS 70 2.705 10.605 5.034 496 HB2 LYS 70 1HB LYS 70 4.822 12.690 4.538 497 HB3 LYS 70 2HB LYS 70 4.745 11.208 3.594 498 HG2 LYS 70 1HG LYS 70 2.461 11.785 2.903 499 HG3 LYS 70 2HG LYS 70 2.581 13.291 3.815 500 HD2 LYS 70 1HD LYS 70 4.554 13.897 2.412 501 HD3 LYS 70 2HD LYS 70 4.240 12.460 1.436 502 HE2 LYS 70 1HE LYS 70 2.199 13.308 0.650 503 HE3 LYS 70 2HE LYS 70 2.126 14.539 1.910 504 HZ1 LYS 70 1HZ LYS 70 2.784 15.262 -0.428 505 HZ2 LYS 70 2HZ LYS 70 4.281 14.542 -0.110 506 HZ3 LYS 70 3HZ LYS 70 3.736 15.820 0.855 507 H HIS 71 H HIS 71 5.569 11.775 6.786 508 HA HIS 71 HA HIS 71 7.094 9.433 6.558 509 HB2 HIS 71 1HB HIS 71 7.118 11.807 8.359 510 HB3 HIS 71 2HB HIS 71 8.051 10.396 8.850 511 HD1 HIS 71 1HD HIS 71 9.687 9.497 6.750 512 HD2 HIS 71 2HD HIS 71 8.559 13.495 6.831 513 HE1 HIS 71 1HE HIS 71 11.355 10.696 5.298 514 HE2 HIS 71 2HE HIS 71 10.703 13.125 5.431 515 H ASN 72 H ASN 72 4.810 10.483 9.059 516 HA ASN 72 HA ASN 72 5.180 8.376 10.851 517 HB2 ASN 72 1HB ASN 72 2.809 10.138 10.256 518 HB3 ASN 72 2HB ASN 72 2.751 8.899 11.506 519 HD21 ASN 72 1HD2 ASN 72 3.430 12.074 10.865 520 HD22 ASN 72 2HD2 ASN 72 4.354 12.450 12.276 521 H ASN 73 H ASN 73 2.894 8.684 8.148 522 HA ASN 73 HA ASN 73 1.599 6.225 8.493 523 HB2 ASN 73 1HB ASN 73 2.075 7.834 5.976 524 HB3 ASN 73 2HB ASN 73 0.974 6.464 6.085 525 HD21 ASN 73 1HD2 ASN 73 -1.004 7.254 5.991 526 HD22 ASN 73 2HD2 ASN 73 -1.614 8.568 6.933 527 H ALA 74 H ALA 74 4.317 7.077 6.354 528 HA ALA 74 HA ALA 74 4.741 4.549 5.260 529 HB1 ALA 74 1HB ALA 74 6.784 6.697 5.816 530 HB2 ALA 74 2HB ALA 74 6.988 5.337 4.712 531 HB3 ALA 74 3HB ALA 74 5.775 6.573 4.375 532 H LYS 75 H LYS 75 6.471 6.063 7.991 533 HA LYS 75 HA LYS 75 8.130 4.034 8.731 534 HB2 LYS 75 1HB LYS 75 6.704 6.162 10.242 535 HB3 LYS 75 2HB LYS 75 7.467 4.883 11.178 536 HG2 LYS 75 1HG LYS 75 9.610 5.377 10.160 537 HG3 LYS 75 2HG LYS 75 8.862 6.612 9.144 538 HD2 LYS 75 1HD LYS 75 8.669 6.730 12.136 539 HD3 LYS 75 2HD LYS 75 10.080 7.362 11.285 540 HE2 LYS 75 1HE LYS 75 8.615 8.827 9.971 541 HE3 LYS 75 2HE LYS 75 7.215 8.202 10.841 542 HZ1 LYS 75 1HZ LYS 75 7.878 10.277 11.799 543 HZ2 LYS 75 2HZ LYS 75 9.472 9.747 11.995 544 HZ3 LYS 75 3HZ LYS 75 8.230 9.047 12.906 545 H TYR 76 H TYR 76 4.798 4.458 9.928 546 HA TYR 76 HA TYR 76 4.611 2.201 11.498 547 HB2 TYR 76 1HB TYR 76 2.895 4.071 11.156 548 HB3 TYR 76 2HB TYR 76 2.335 3.150 9.765 549 HD1 TYR 76 1HD TYR 76 3.152 2.553 13.369 550 HD2 TYR 76 2HD TYR 76 0.540 1.750 10.107 551 HE1 TYR 76 1HE TYR 76 1.732 1.194 14.848 552 HE2 TYR 76 2HE TYR 76 -0.888 0.390 11.578 553 HH TYR 76 HH TYR 76 -1.085 0.518 14.582 554 H ALA 77 H ALA 77 3.665 2.470 8.070 555 HA ALA 77 HA ALA 77 2.890 -0.105 7.569 556 HB1 ALA 77 1HB ALA 77 4.139 2.015 5.911 557 HB2 ALA 77 2HB ALA 77 4.055 0.387 5.238 558 HB3 ALA 77 3HB ALA 77 2.578 1.212 5.739 559 H VAL 78 H VAL 78 6.209 1.164 7.468 560 HA VAL 78 HA VAL 78 7.494 -1.181 6.660 561 HB VAL 78 HB VAL 78 8.584 0.972 8.478 562 HG11 VAL 78 1HG1 VAL 78 10.525 -0.111 8.480 563 HG12 VAL 78 2HG1 VAL 78 9.702 -1.483 7.735 564 HG13 VAL 78 3HG1 VAL 78 10.495 -0.274 6.725 565 HG21 VAL 78 1HG2 VAL 78 7.999 2.150 6.587 566 HG22 VAL 78 2HG2 VAL 78 9.640 1.647 6.183 567 HG23 VAL 78 3HG2 VAL 78 8.261 0.773 5.516 568 H SER 79 H SER 79 6.765 0.018 9.920 569 HA SER 79 HA SER 79 7.988 -2.175 11.261 570 HB2 SER 79 1HB SER 79 7.576 0.070 12.293 571 HB3 SER 79 2HB SER 79 5.855 -0.311 12.327 572 HG SER 79 HG SER 79 6.704 -2.311 13.497 573 H MET 80 H MET 80 5.072 -1.836 9.575 574 HA MET 80 HA MET 80 3.719 -3.954 11.058 575 HB2 MET 80 1HB MET 80 2.848 -2.201 8.760 576 HB3 MET 80 2HB MET 80 1.861 -3.504 9.408 577 HG2 MET 80 1HG MET 80 2.782 -1.040 10.865 578 HG3 MET 80 2HG MET 80 1.143 -1.415 10.339 579 HE1 MET 80 1HE MET 80 -0.291 -3.416 11.324 580 HE2 MET 80 2HE MET 80 1.018 -4.567 11.057 581 HE3 MET 80 3HE MET 80 0.245 -4.461 12.639 582 H ALA 81 H ALA 81 5.296 -3.361 7.985 583 HA ALA 81 HA ALA 81 4.494 -5.838 6.791 584 HB1 ALA 81 1HB ALA 81 6.912 -4.389 5.845 585 HB2 ALA 81 2HB ALA 81 5.610 -5.143 4.924 586 HB3 ALA 81 3HB ALA 81 5.347 -3.586 5.709 587 H ARG 82 H ARG 82 6.990 -4.857 8.951 588 HA ARG 82 HA ARG 82 8.716 -7.106 8.378 589 HB2 ARG 82 1HB ARG 82 10.191 -6.209 9.992 590 HB3 ARG 82 2HB ARG 82 9.505 -4.820 9.161 591 HG2 ARG 82 1HG ARG 82 7.854 -4.640 11.048 592 HG3 ARG 82 2HG ARG 82 8.813 -5.856 11.895 593 HD2 ARG 82 1HD ARG 82 10.757 -4.418 11.832 594 HD3 ARG 82 2HD ARG 82 9.879 -3.227 10.872 595 HE ARG 82 HE ARG 82 8.355 -3.391 13.065 596 HH11 ARG 82 2HH1 ARG 82 11.794 -3.031 12.660 597 HH12 ARG 82 1HH1 ARG 82 12.004 -2.133 14.127 598 HH21 ARG 82 2HH2 ARG 82 8.619 -2.210 14.999 599 HH22 ARG 82 1HH2 ARG 82 10.198 -1.668 15.457 600 H ARG 83 H ARG 83 6.566 -6.084 11.012 601 HA ARG 83 HA ARG 83 6.998 -8.230 12.737 602 HB2 ARG 83 1HB ARG 83 5.128 -7.504 13.914 603 HB3 ARG 83 2HB ARG 83 5.643 -6.045 13.077 604 HG2 ARG 83 1HG ARG 83 3.953 -6.539 11.317 605 HG3 ARG 83 2HG ARG 83 3.378 -7.874 12.317 606 HD2 ARG 83 1HD ARG 83 3.575 -5.077 13.386 607 HD3 ARG 83 2HD ARG 83 2.159 -5.622 12.488 608 HE ARG 83 HE ARG 83 1.548 -6.936 14.284 609 HH11 ARG 83 2HH1 ARG 83 4.744 -5.644 14.773 610 HH12 ARG 83 1HH1 ARG 83 4.820 -6.114 16.439 611 HH21 ARG 83 2HH2 ARG 83 1.637 -7.560 16.476 612 HH22 ARG 83 1HH2 ARG 83 3.053 -7.204 17.406 613 H ILE 84 H ILE 84 4.878 -7.926 9.946 614 HA ILE 84 HA ILE 84 3.542 -10.423 10.383 615 HB ILE 84 HB ILE 84 2.465 -10.079 8.299 616 HG12 ILE 84 1HG1 ILE 84 4.481 -7.915 7.671 617 HG13 ILE 84 2HG1 ILE 84 4.569 -9.555 7.037 618 HG21 ILE 84 1HG2 ILE 84 2.791 -7.830 10.130 619 HG22 ILE 84 2HG2 ILE 84 2.223 -7.362 8.528 620 HG23 ILE 84 3HG2 ILE 84 1.324 -8.552 9.469 621 HD11 ILE 84 1HD1 ILE 84 2.646 -7.375 6.390 622 HD12 ILE 84 2HD1 ILE 84 3.563 -8.428 5.312 623 HD13 ILE 84 3HD1 ILE 84 2.165 -9.059 6.183 624 H GLY 85 H GLY 85 6.567 -9.525 9.104 625 HA2 GLY 85 1HA GLY 85 8.222 -11.215 8.695 626 HA3 GLY 85 2HA GLY 85 6.943 -12.272 8.115 627 H ALA 86 H ALA 86 8.837 -9.398 7.350 628 HA ALA 86 HA ALA 86 8.563 -10.061 4.509 629 HB1 ALA 86 1HB ALA 86 8.087 -7.812 3.865 630 HB2 ALA 86 2HB ALA 86 6.912 -8.281 5.094 631 HB3 ALA 86 3HB ALA 86 8.269 -7.240 5.523 632 H ARG 87 H ARG 87 10.581 -10.486 3.899 633 HA ARG 87 HA ARG 87 12.869 -9.378 5.198 634 HB2 ARG 87 1HB ARG 87 12.986 -11.605 4.262 635 HB3 ARG 87 2HB ARG 87 12.591 -10.994 2.661 636 HG2 ARG 87 1HG ARG 87 14.688 -10.142 2.315 637 HG3 ARG 87 2HG ARG 87 15.009 -9.944 4.039 638 HD2 ARG 87 1HD ARG 87 16.374 -11.732 3.328 639 HD3 ARG 87 2HD ARG 87 15.023 -12.468 4.190 640 HE ARG 87 HE ARG 87 14.426 -12.332 1.442 641 HH11 ARG 87 2HH1 ARG 87 16.486 -14.026 3.680 642 HH12 ARG 87 1HH1 ARG 87 16.581 -15.459 2.710 643 HH21 ARG 87 2HH2 ARG 87 14.543 -14.213 0.157 644 HH22 ARG 87 1HH2 ARG 87 15.476 -15.564 0.706 645 H VAL 88 H VAL 88 12.286 -7.099 4.890 646 HA VAL 88 HA VAL 88 13.498 -6.071 2.442 647 HB VAL 88 HB VAL 88 11.292 -5.891 1.717 648 HG11 VAL 88 1HG1 VAL 88 10.295 -6.556 3.898 649 HG12 VAL 88 2HG1 VAL 88 10.453 -4.882 4.432 650 HG13 VAL 88 3HG1 VAL 88 9.406 -5.279 3.068 651 HG21 VAL 88 1HG2 VAL 88 11.372 -3.251 3.088 652 HG22 VAL 88 2HG2 VAL 88 12.686 -3.670 1.990 653 HG23 VAL 88 3HG2 VAL 88 11.023 -3.638 1.403 654 H TYR 89 H TYR 89 15.104 -4.837 3.147 655 HA TYR 89 HA TYR 89 14.769 -3.340 5.649 656 HB2 TYR 89 1HB TYR 89 17.315 -3.015 5.333 657 HB3 TYR 89 2HB TYR 89 16.729 -4.605 5.807 658 HD1 TYR 89 1HD TYR 89 18.172 -2.622 3.075 659 HD2 TYR 89 2HD TYR 89 16.882 -6.487 4.301 660 HE1 TYR 89 1HE TYR 89 19.320 -3.614 1.138 661 HE2 TYR 89 2HE TYR 89 18.027 -7.489 2.369 662 HH TYR 89 HH TYR 89 19.883 -6.938 0.840 663 H ALA 90 H ALA 90 13.392 -2.297 3.513 664 HA ALA 90 HA ALA 90 15.004 -0.182 2.335 665 HB1 ALA 90 1HB ALA 90 12.087 -0.873 2.005 666 HB2 ALA 90 2HB ALA 90 12.931 0.405 1.130 667 HB3 ALA 90 3HB ALA 90 13.401 -1.279 0.900 668 H LEU 91 H LEU 91 15.212 1.773 3.196 669 HA LEU 91 HA LEU 91 14.182 2.530 5.656 670 HB2 LEU 91 1HB LEU 91 14.955 4.441 3.464 671 HB3 LEU 91 2HB LEU 91 15.008 4.723 5.203 672 HG LEU 91 HG LEU 91 16.781 2.815 3.678 673 HD11 LEU 91 1HD1 LEU 91 17.401 5.489 4.924 674 HD12 LEU 91 2HD1 LEU 91 17.269 5.165 3.196 675 HD13 LEU 91 3HD1 LEU 91 18.555 4.411 4.139 676 HD21 LEU 91 1HD2 LEU 91 17.331 1.926 5.633 677 HD22 LEU 91 2HD2 LEU 91 16.087 2.903 6.414 678 HD23 LEU 91 3HD2 LEU 91 17.734 3.520 6.272 679 HA PRO 92 HA PRO 92 10.046 3.829 4.949 680 HB2 PRO 92 1HB PRO 92 9.802 5.750 6.852 681 HB3 PRO 92 2HB PRO 92 9.857 4.024 7.230 682 HG2 PRO 92 1HG PRO 92 12.044 6.064 7.368 683 HG3 PRO 92 2HG PRO 92 11.638 4.779 8.521 684 HD2 PRO 92 1HD PRO 92 13.662 4.551 6.737 685 HD3 PRO 92 2HD PRO 92 12.707 3.157 7.281 686 H GLU 93 H GLU 93 12.703 5.845 4.386 687 HA GLU 93 HA GLU 93 11.287 8.245 3.728 688 HB2 GLU 93 1HB GLU 93 14.096 7.301 3.165 689 HB3 GLU 93 2HB GLU 93 13.490 8.861 2.626 690 HG2 GLU 93 1HG GLU 93 12.885 9.221 5.110 691 HG3 GLU 93 2HG GLU 93 14.014 7.900 5.405 692 H ASP 94 H ASP 94 12.752 5.618 1.841 693 HA ASP 94 HA ASP 94 12.389 6.469 -0.715 694 HB2 ASP 94 1HB ASP 94 12.604 4.273 -1.378 695 HB3 ASP 94 2HB ASP 94 13.192 4.157 0.278 696 H LEU 95 H LEU 95 9.915 5.016 1.368 697 HA LEU 95 HA LEU 95 7.841 4.929 -0.508 698 HB2 LEU 95 1HB LEU 95 7.688 5.325 2.477 699 HB3 LEU 95 2HB LEU 95 6.334 4.882 1.439 700 HG LEU 95 HG LEU 95 8.798 3.187 1.830 701 HD11 LEU 95 1HD1 LEU 95 6.082 2.966 3.120 702 HD12 LEU 95 2HD1 LEU 95 7.591 3.391 3.928 703 HD13 LEU 95 3HD1 LEU 95 7.381 1.779 3.245 704 HD21 LEU 95 1HD2 LEU 95 6.486 1.751 1.020 705 HD22 LEU 95 2HD2 LEU 95 8.007 1.970 0.154 706 HD23 LEU 95 3HD2 LEU 95 6.690 3.124 -0.068 707 H VAL 96 H VAL 96 8.660 7.445 1.871 708 HA VAL 96 HA VAL 96 6.600 9.226 1.306 709 HB VAL 96 HB VAL 96 9.429 9.861 2.155 710 HG11 VAL 96 1HG1 VAL 96 7.011 11.586 2.597 711 HG12 VAL 96 2HG1 VAL 96 8.715 12.009 2.773 712 HG13 VAL 96 3HG1 VAL 96 8.029 11.754 1.168 713 HG21 VAL 96 1HG2 VAL 96 8.767 9.604 4.350 714 HG22 VAL 96 2HG2 VAL 96 7.059 9.827 3.973 715 HG23 VAL 96 3HG2 VAL 96 7.863 8.314 3.556 716 H GLU 97 H GLU 97 9.827 8.984 -0.159 717 HA GLU 97 HA GLU 97 9.242 11.104 -2.039 718 HB2 GLU 97 1HB GLU 97 11.618 9.238 -1.932 719 HB3 GLU 97 2HB GLU 97 11.494 10.711 -2.882 720 HG2 GLU 97 1HG GLU 97 11.187 11.935 -0.688 721 HG3 GLU 97 2HG GLU 97 11.681 10.437 0.099 722 H VAL 98 H VAL 98 8.185 8.067 -1.860 723 HA VAL 98 HA VAL 98 7.537 6.434 -3.331 724 HB VAL 98 HB VAL 98 7.098 8.776 -5.185 725 HG11 VAL 98 1HG1 VAL 98 6.034 7.346 -6.512 726 HG12 VAL 98 2HG1 VAL 98 6.637 6.034 -5.498 727 HG13 VAL 98 3HG1 VAL 98 5.058 6.749 -5.171 728 HG21 VAL 98 1HG2 VAL 98 5.279 9.444 -4.012 729 HG22 VAL 98 2HG2 VAL 98 4.910 7.816 -3.442 730 HG23 VAL 98 3HG2 VAL 98 6.185 8.755 -2.665 731 H LYS 99 H LYS 99 10.206 6.422 -3.331 732 HA LYS 99 HA LYS 99 11.375 6.850 -5.900 733 HB2 LYS 99 1HB LYS 99 12.392 5.149 -3.616 734 HB3 LYS 99 2HB LYS 99 13.337 5.737 -4.978 735 HG2 LYS 99 1HG LYS 99 12.736 8.076 -4.184 736 HG3 LYS 99 2HG LYS 99 12.180 7.304 -2.697 737 HD2 LYS 99 1HD LYS 99 14.515 6.181 -2.697 738 HD3 LYS 99 2HD LYS 99 14.951 7.468 -3.823 739 HE2 LYS 99 1HE LYS 99 13.970 9.064 -2.074 740 HE3 LYS 99 2HE LYS 99 14.047 7.693 -0.968 741 HZ1 LYS 99 1HZ LYS 99 16.098 8.475 -0.580 742 HZ2 LYS 99 2HZ LYS 99 16.185 9.326 -2.039 743 HZ3 LYS 99 3HZ LYS 99 16.507 7.666 -2.009 744 HA PRO 100 HA PRO 100 9.683 3.107 -7.668 745 HB2 PRO 100 1HB PRO 100 10.740 3.496 -10.139 746 HB3 PRO 100 2HB PRO 100 9.301 4.347 -9.564 747 HG2 PRO 100 1HG PRO 100 12.140 5.290 -9.678 748 HG3 PRO 100 2HG PRO 100 10.655 6.159 -10.106 749 HD2 PRO 100 1HD PRO 100 11.934 6.531 -7.748 750 HD3 PRO 100 2HD PRO 100 10.171 6.667 -7.910 751 H LYS 101 H LYS 101 12.789 3.819 -6.781 752 HA LYS 101 HA LYS 101 14.077 1.593 -8.131 753 HB2 LYS 101 1HB LYS 101 15.006 3.754 -6.267 754 HB3 LYS 101 2HB LYS 101 16.013 2.342 -6.559 755 HG2 LYS 101 1HG LYS 101 16.008 2.836 -8.955 756 HG3 LYS 101 2HG LYS 101 15.006 4.258 -8.655 757 HD2 LYS 101 1HD LYS 101 16.775 5.224 -7.278 758 HD3 LYS 101 2HD LYS 101 17.772 3.791 -7.539 759 HE2 LYS 101 1HE LYS 101 17.463 4.338 -10.052 760 HE3 LYS 101 2HE LYS 101 16.994 5.937 -9.478 761 HZ1 LYS 101 1HZ LYS 101 19.113 6.154 -8.381 762 HZ2 LYS 101 2HZ LYS 101 19.362 5.794 -10.014 763 HZ3 LYS 101 3HZ LYS 101 19.563 4.590 -8.843 764 H MET 102 H MET 102 13.108 2.505 -4.847 765 HA MET 102 HA MET 102 13.743 -0.211 -3.934 766 HB2 MET 102 1HB MET 102 13.140 2.309 -2.376 767 HB3 MET 102 2HB MET 102 13.445 0.737 -1.648 768 HG2 MET 102 1HG MET 102 15.681 0.749 -2.762 769 HG3 MET 102 2HG MET 102 15.360 2.412 -3.248 770 HE1 MET 102 1HE MET 102 15.340 0.310 0.423 771 HE2 MET 102 2HE MET 102 16.481 -0.031 -0.878 772 HE3 MET 102 3HE MET 102 17.016 0.844 0.558 773 H VAL 103 H VAL 103 11.137 2.203 -3.869 774 HA VAL 103 HA VAL 103 9.172 0.848 -2.535 775 HB VAL 103 HB VAL 103 8.796 2.520 -5.024 776 HG11 VAL 103 1HG1 VAL 103 6.530 2.938 -4.035 777 HG12 VAL 103 2HG1 VAL 103 6.789 1.296 -4.627 778 HG13 VAL 103 3HG1 VAL 103 6.857 1.632 -2.896 779 HG21 VAL 103 1HG2 VAL 103 10.038 3.581 -3.115 780 HG22 VAL 103 2HG2 VAL 103 8.546 4.397 -3.581 781 HG23 VAL 103 3HG2 VAL 103 8.581 3.376 -2.144 782 H MET 104 H MET 104 10.543 0.070 -5.598 783 HA MET 104 HA MET 104 8.425 -1.429 -6.702 784 HB2 MET 104 1HB MET 104 10.271 -0.726 -8.088 785 HB3 MET 104 2HB MET 104 11.413 -1.627 -7.100 786 HG2 MET 104 1HG MET 104 10.078 -3.699 -7.774 787 HG3 MET 104 2HG MET 104 9.359 -2.672 -9.012 788 HE1 MET 104 1HE MET 104 13.403 -3.370 -7.860 789 HE2 MET 104 2HE MET 104 12.115 -4.550 -7.614 790 HE3 MET 104 3HE MET 104 13.278 -4.772 -8.923 791 H THR 105 H THR 105 11.247 -2.421 -4.777 792 HA THR 105 HA THR 105 10.440 -5.163 -4.662 793 HB THR 105 HB THR 105 12.824 -4.163 -4.376 794 HG1 THR 105 1HG THR 105 11.994 -6.185 -2.550 795 HG21 THR 105 1HG2 THR 105 11.866 -4.103 -1.511 796 HG22 THR 105 2HG2 THR 105 12.222 -2.681 -2.492 797 HG23 THR 105 3HG2 THR 105 13.511 -3.809 -2.074 798 H VAL 106 H VAL 106 10.244 -2.401 -2.456 799 HA VAL 106 HA VAL 106 9.427 -3.517 -0.122 800 HB VAL 106 HB VAL 106 8.203 -1.072 -1.408 801 HG11 VAL 106 1HG1 VAL 106 7.313 -2.385 0.833 802 HG12 VAL 106 2HG1 VAL 106 8.384 -1.152 1.501 803 HG13 VAL 106 3HG1 VAL 106 7.039 -0.683 0.461 804 HG21 VAL 106 1HG2 VAL 106 10.707 -1.112 -1.138 805 HG22 VAL 106 2HG2 VAL 106 9.877 0.203 -0.306 806 HG23 VAL 106 3HG2 VAL 106 10.441 -1.199 0.604 807 H PHE 107 H PHE 107 7.500 -3.125 -3.042 808 HA PHE 107 HA PHE 107 5.087 -4.091 -1.789 809 HB2 PHE 107 1HB PHE 107 5.858 -3.155 -4.514 810 HB3 PHE 107 2HB PHE 107 4.437 -4.184 -4.366 811 HD1 PHE 107 1HD PHE 107 2.964 -3.402 -2.165 812 HD2 PHE 107 2HD PHE 107 5.371 -0.930 -4.657 813 HE1 PHE 107 1HE PHE 107 1.615 -1.447 -1.524 814 HE2 PHE 107 2HE PHE 107 4.026 1.029 -4.019 815 HZ PHE 107 HZ PHE 107 2.146 0.772 -2.450 816 H ALA 108 H ALA 108 7.524 -5.343 -4.025 817 HA ALA 108 HA ALA 108 6.292 -7.806 -4.582 818 HB1 ALA 108 1HB ALA 108 8.080 -7.060 -5.970 819 HB2 ALA 108 2HB ALA 108 9.193 -6.997 -4.603 820 HB3 ALA 108 3HB ALA 108 8.603 -8.552 -5.189 821 H CYS 109 H CYS 109 8.988 -7.143 -2.335 822 HA CYS 109 HA CYS 109 9.347 -9.537 -1.159 823 HB2 CYS 109 1HB CYS 109 9.854 -8.315 0.970 824 HB3 CYS 109 2HB CYS 109 10.645 -7.645 -0.452 825 HG CYS 109 HG CYS 109 9.103 -5.417 -0.662 826 H LEU 110 H LEU 110 6.664 -7.339 -0.528 827 HA LEU 110 HA LEU 110 5.543 -8.726 1.647 828 HB2 LEU 110 1HB LEU 110 4.355 -6.892 -0.417 829 HB3 LEU 110 2HB LEU 110 3.408 -7.567 0.907 830 HG LEU 110 HG LEU 110 5.892 -5.971 1.436 831 HD11 LEU 110 1HD1 LEU 110 3.141 -4.969 0.785 832 HD12 LEU 110 2HD1 LEU 110 4.694 -4.437 0.142 833 HD13 LEU 110 3HD1 LEU 110 4.249 -4.051 1.804 834 HD21 LEU 110 1HD2 LEU 110 3.946 -5.511 3.360 835 HD22 LEU 110 2HD2 LEU 110 5.351 -6.567 3.511 836 HD23 LEU 110 3HD2 LEU 110 3.801 -7.229 2.990 837 H MET 111 H MET 111 4.713 -8.825 -1.818 838 HA MET 111 HA MET 111 2.671 -10.624 -1.829 839 HB2 MET 111 1HB MET 111 3.418 -9.619 -3.879 840 HB3 MET 111 2HB MET 111 4.986 -10.406 -3.756 841 HG2 MET 111 1HG MET 111 3.719 -12.603 -3.905 842 HG3 MET 111 2HG MET 111 2.329 -11.637 -4.395 843 HE1 MET 111 1HE MET 111 3.147 -10.108 -7.645 844 HE2 MET 111 2HE MET 111 2.649 -9.724 -5.997 845 HE3 MET 111 3HE MET 111 4.288 -9.350 -6.533 846 H GLY 112 H GLY 112 6.139 -11.446 -1.859 847 HA2 GLY 112 1HA GLY 112 6.183 -14.122 -2.032 848 HA3 GLY 112 2HA GLY 112 7.182 -13.268 -0.866 849 H ARG 113 H ARG 113 5.629 -12.490 1.093 850 HA ARG 113 HA ARG 113 5.080 -14.803 2.556 851 HB2 ARG 113 1HB ARG 113 5.552 -12.564 3.533 852 HB3 ARG 113 2HB ARG 113 3.950 -12.041 3.032 853 HG2 ARG 113 1HG ARG 113 3.539 -12.590 5.204 854 HG3 ARG 113 2HG ARG 113 3.186 -14.133 4.423 855 HD2 ARG 113 1HD ARG 113 5.255 -15.051 5.071 856 HD3 ARG 113 2HD ARG 113 5.912 -13.471 5.496 857 HE ARG 113 HE ARG 113 4.998 -13.716 7.569 858 HH11 ARG 113 2HH1 ARG 113 3.345 -15.849 5.370 859 HH12 ARG 113 1HH1 ARG 113 2.390 -16.597 6.608 860 HH21 ARG 113 2HH2 ARG 113 3.746 -14.692 9.207 861 HH22 ARG 113 1HH2 ARG 113 2.618 -15.937 8.790 862 H GLY 114 H GLY 114 2.810 -12.524 1.018 863 HA2 GLY 114 1HA GLY 114 0.439 -13.803 1.720 864 HA3 GLY 114 2HA GLY 114 0.653 -12.808 0.288 865 H MET 115 H MET 115 0.887 -13.762 -1.695 866 HA MET 115 HA MET 115 -0.291 -16.136 -2.272 867 HB2 MET 115 1HB MET 115 0.740 -16.064 -4.422 868 HB3 MET 115 2HB MET 115 0.494 -14.398 -3.914 869 HG2 MET 115 1HG MET 115 2.615 -14.231 -4.681 870 HG3 MET 115 2HG MET 115 2.959 -14.687 -3.014 871 HE1 MET 115 1HE MET 115 4.070 -15.900 -6.752 872 HE2 MET 115 2HE MET 115 3.003 -17.303 -6.714 873 HE3 MET 115 3HE MET 115 2.339 -15.683 -6.495 874 H LYS 116 H LYS 116 0.111 -18.196 -1.840 875 HA LYS 116 HA LYS 116 2.617 -18.985 -0.661 876 HB2 LYS 116 1HB LYS 116 0.516 -19.897 0.191 877 HB3 LYS 116 2HB LYS 116 0.167 -20.603 -1.381 878 HG2 LYS 116 1HG LYS 116 1.005 -22.436 -0.350 879 HG3 LYS 116 2HG LYS 116 2.516 -21.760 -0.964 880 HD2 LYS 116 1HD LYS 116 1.580 -20.853 1.705 881 HD3 LYS 116 2HD LYS 116 2.219 -22.493 1.574 882 HE2 LYS 116 1HE LYS 116 3.764 -20.283 0.325 883 HE3 LYS 116 2HE LYS 116 3.780 -20.412 2.083 884 HZ1 LYS 116 1HZ LYS 116 4.559 -22.546 0.169 885 HZ2 LYS 116 2HZ LYS 116 4.530 -22.712 1.852 886 HZ3 LYS 116 3HZ LYS 116 5.613 -21.633 1.128 887 H ARG 117 H ARG 117 4.191 -20.267 -1.526 888 HA ARG 117 HA ARG 117 3.825 -21.376 -4.198 889 HB2 ARG 117 1HB ARG 117 6.137 -20.383 -4.792 890 HB3 ARG 117 2HB ARG 117 4.724 -19.341 -4.892 891 HG2 ARG 117 1HG ARG 117 6.172 -17.962 -3.800 892 HG3 ARG 117 2HG ARG 117 5.391 -18.743 -2.423 893 HD2 ARG 117 1HD ARG 117 7.879 -19.896 -3.625 894 HD3 ARG 117 2HD ARG 117 7.974 -18.560 -2.478 895 HE ARG 117 HE ARG 117 6.351 -20.615 -1.429 896 HH11 ARG 117 2HH1 ARG 117 9.679 -19.866 -2.123 897 HH12 ARG 117 1HH1 ARG 117 10.306 -20.891 -0.875 898 HH21 ARG 117 2HH2 ARG 117 7.164 -21.968 0.218 899 HH22 ARG 117 1HH2 ARG 117 8.875 -22.087 0.455 900 H VAL 118 H VAL 118 5.940 -22.567 -4.850 901 HA VAL 118 HA VAL 118 7.411 -23.633 -2.579 902 HB VAL 118 HB VAL 118 5.438 -25.081 -2.670 903 HG11 VAL 118 1HG1 VAL 118 4.688 -24.950 -4.888 904 HG12 VAL 118 2HG1 VAL 118 6.260 -25.417 -5.539 905 HG13 VAL 118 3HG1 VAL 118 5.259 -26.608 -4.708 906 HG21 VAL 118 1HG2 VAL 118 7.069 -27.152 -3.610 907 HG22 VAL 118 2HG2 VAL 118 8.169 -25.941 -2.952 908 HG23 VAL 118 3HG2 VAL 118 6.885 -26.606 -1.943 909 H SER 119 H SER 119 9.412 -24.399 -3.113 910 HA SER 119 HA SER 119 10.387 -23.738 -5.738 911 HB2 SER 119 1HB SER 119 11.703 -23.331 -3.653 912 HB3 SER 119 2HB SER 119 11.862 -25.076 -3.458 913 HG SER 119 HG SER 119 13.317 -23.423 -4.976 914 H GLY 120 H GLY 120 10.086 -25.069 -7.398 915 HA2 GLY 120 1HA GLY 120 10.390 -26.989 -8.665 916 HA3 GLY 120 2HA GLY 120 10.980 -27.808 -7.226 917 HA PRO 121 HA PRO 121 6.358 -28.699 -8.287 918 HB2 PRO 121 1HB PRO 121 6.585 -30.733 -10.072 919 HB3 PRO 121 2HB PRO 121 6.451 -29.039 -10.558 920 HG2 PRO 121 1HG PRO 121 8.891 -30.758 -10.333 921 HG3 PRO 121 2HG PRO 121 8.449 -29.605 -11.605 922 HD2 PRO 121 1HD PRO 121 10.214 -29.002 -9.642 923 HD3 PRO 121 2HD PRO 121 9.148 -27.786 -10.374 924 H SER 122 H SER 122 9.179 -30.290 -7.318 925 HA SER 122 HA SER 122 8.675 -32.877 -6.835 926 HB2 SER 122 1HB SER 122 9.806 -30.861 -4.887 927 HB3 SER 122 2HB SER 122 9.855 -32.603 -4.617 928 HG SER 122 HG SER 122 11.653 -31.294 -5.837 929 H SER 123 H SER 123 7.551 -30.295 -4.647 930 HA SER 123 HA SER 123 5.835 -32.126 -3.226 931 HB2 SER 123 1HB SER 123 7.046 -30.125 -2.203 932 HB3 SER 123 2HB SER 123 5.830 -29.116 -2.987 933 HG SER 123 HG SER 123 5.320 -31.202 -1.128 934 H GLY 124 H GLY 124 4.393 -32.865 -4.814 935 HA2 GLY 124 1HA GLY 124 2.963 -31.600 -6.706 936 HA3 GLY 124 2HA GLY 124 2.241 -32.831 -5.681 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.665 -2.904 -21.532 2 HA2 GLY 1 1HA GLY 1 -8.044 -5.748 -21.511 3 HA3 GLY 1 2HA GLY 1 -8.354 -5.044 -23.091 4 H SER 2 H SER 2 -6.448 -4.317 -20.165 5 HA SER 2 HA SER 2 -4.440 -2.946 -21.702 6 HB2 SER 2 1HB SER 2 -5.176 -2.538 -19.227 7 HB3 SER 2 2HB SER 2 -4.032 -3.829 -18.862 8 HG SER 2 HG SER 2 -2.603 -2.416 -20.325 9 H SER 3 H SER 3 -2.890 -3.920 -22.807 10 HA SER 3 HA SER 3 -1.465 -6.173 -21.681 11 HB2 SER 3 1HB SER 3 -3.288 -6.421 -24.036 12 HB3 SER 3 2HB SER 3 -1.778 -7.332 -24.043 13 HG SER 3 HG SER 3 -3.363 -7.422 -21.744 14 H GLY 4 H GLY 4 0.596 -5.639 -21.922 15 HA2 GLY 4 1HA GLY 4 1.492 -4.611 -24.523 16 HA3 GLY 4 2HA GLY 4 1.885 -3.695 -23.076 17 H SER 5 H SER 5 4.036 -3.927 -22.898 18 HA SER 5 HA SER 5 5.474 -6.251 -23.598 19 HB2 SER 5 1HB SER 5 7.364 -5.176 -22.384 20 HB3 SER 5 2HB SER 5 6.572 -4.083 -23.520 21 HG SER 5 HG SER 5 5.726 -2.961 -21.883 22 H SER 6 H SER 6 5.818 -8.090 -22.540 23 HA SER 6 HA SER 6 4.546 -8.593 -20.039 24 HB2 SER 6 1HB SER 6 6.522 -10.290 -21.584 25 HB3 SER 6 2HB SER 6 5.529 -10.845 -20.236 26 HG SER 6 HG SER 6 3.814 -10.884 -21.494 27 H GLY 7 H GLY 7 5.531 -9.219 -18.059 28 HA2 GLY 7 1HA GLY 7 8.203 -9.306 -17.425 29 HA3 GLY 7 2HA GLY 7 7.785 -7.600 -17.363 30 H ASN 8 H ASN 8 8.695 -8.870 -15.114 31 HA ASN 8 HA ASN 8 6.464 -9.726 -13.496 32 HB2 ASN 8 1HB ASN 8 8.185 -9.791 -11.667 33 HB3 ASN 8 2HB ASN 8 8.578 -10.782 -13.070 34 HD21 ASN 8 1HD2 ASN 8 10.092 -9.902 -14.619 35 HD22 ASN 8 2HD2 ASN 8 11.333 -8.831 -14.075 36 H ASP 9 H ASP 9 8.408 -6.833 -13.915 37 HA ASP 9 HA ASP 9 7.912 -5.323 -11.733 38 HB2 ASP 9 1HB ASP 9 9.021 -4.705 -14.015 39 HB3 ASP 9 2HB ASP 9 7.423 -4.082 -14.420 40 H ASP 10 H ASP 10 5.682 -5.509 -14.510 41 HA ASP 10 HA ASP 10 3.616 -4.035 -13.270 42 HB2 ASP 10 1HB ASP 10 3.191 -6.099 -15.426 43 HB3 ASP 10 2HB ASP 10 2.268 -4.629 -15.127 44 H ILE 11 H ILE 11 3.995 -7.540 -13.783 45 HA ILE 11 HA ILE 11 1.755 -8.574 -12.717 46 HB ILE 11 HB ILE 11 4.579 -9.500 -12.203 47 HG12 ILE 11 1HG1 ILE 11 2.448 -10.530 -14.088 48 HG13 ILE 11 2HG1 ILE 11 3.773 -9.470 -14.558 49 HG21 ILE 11 1HG2 ILE 11 2.974 -11.712 -11.941 50 HG22 ILE 11 2HG2 ILE 11 3.717 -10.815 -10.617 51 HG23 ILE 11 3HG2 ILE 11 2.059 -10.460 -11.100 52 HD11 ILE 11 1HD1 ILE 11 5.161 -11.182 -14.770 53 HD12 ILE 11 2HD1 ILE 11 4.738 -11.812 -13.178 54 HD13 ILE 11 3HD1 ILE 11 3.760 -12.237 -14.582 55 H ILE 12 H ILE 12 4.403 -7.144 -10.876 56 HA ILE 12 HA ILE 12 3.554 -7.852 -8.304 57 HB ILE 12 HB ILE 12 5.123 -5.462 -9.263 58 HG12 ILE 12 1HG1 ILE 12 6.200 -7.704 -7.601 59 HG13 ILE 12 2HG1 ILE 12 5.936 -7.972 -9.320 60 HG21 ILE 12 1HG2 ILE 12 5.797 -5.274 -6.829 61 HG22 ILE 12 2HG2 ILE 12 4.166 -4.738 -7.232 62 HG23 ILE 12 3HG2 ILE 12 4.414 -6.307 -6.466 63 HD11 ILE 12 1HD1 ILE 12 7.616 -5.754 -8.178 64 HD12 ILE 12 2HD1 ILE 12 8.241 -7.295 -8.766 65 HD13 ILE 12 3HD1 ILE 12 7.439 -6.187 -9.879 66 H VAL 13 H VAL 13 3.119 -4.705 -9.937 67 HA VAL 13 HA VAL 13 1.470 -3.484 -8.119 68 HB VAL 13 HB VAL 13 1.320 -3.284 -11.130 69 HG11 VAL 13 1HG1 VAL 13 0.436 -0.925 -10.423 70 HG12 VAL 13 2HG1 VAL 13 -0.664 -2.303 -10.500 71 HG13 VAL 13 3HG1 VAL 13 -0.029 -1.766 -8.945 72 HG21 VAL 13 1HG2 VAL 13 3.124 -2.193 -9.089 73 HG22 VAL 13 2HG2 VAL 13 3.377 -2.430 -10.818 74 HG23 VAL 13 3HG2 VAL 13 2.508 -1.008 -10.241 75 H ASN 14 H ASN 14 0.475 -5.570 -10.824 76 HA ASN 14 HA ASN 14 -2.266 -5.422 -10.528 77 HB2 ASN 14 1HB ASN 14 -0.461 -7.642 -11.461 78 HB3 ASN 14 2HB ASN 14 -2.209 -7.849 -11.420 79 HD21 ASN 14 1HD2 ASN 14 -0.582 -7.936 -13.731 80 HD22 ASN 14 2HD2 ASN 14 -1.061 -6.635 -14.761 81 H TRP 15 H TRP 15 0.029 -7.509 -8.826 82 HA TRP 15 HA TRP 15 -1.883 -9.012 -7.398 83 HB2 TRP 15 1HB TRP 15 0.521 -9.638 -7.684 84 HB3 TRP 15 2HB TRP 15 0.945 -8.363 -6.544 85 HD1 TRP 15 HD TRP 15 -0.590 -11.852 -6.703 86 HE1 TRP 15 1HE TRP 15 -0.724 -12.808 -4.317 87 HE3 TRP 15 3HE TRP 15 0.723 -7.667 -4.076 88 HZ2 TRP 15 2HZ TRP 15 -0.327 -11.908 -1.672 89 HZ3 TRP 15 3HZ TRP 15 0.822 -7.799 -1.621 90 HH2 TRP 15 HH TRP 15 0.307 -9.876 -0.445 91 H VAL 16 H VAL 16 -0.140 -6.031 -6.623 92 HA VAL 16 HA VAL 16 -0.966 -5.736 -3.973 93 HB VAL 16 HB VAL 16 -0.366 -3.597 -6.020 94 HG11 VAL 16 1HG1 VAL 16 0.216 -2.424 -3.689 95 HG12 VAL 16 2HG1 VAL 16 -1.367 -2.293 -4.458 96 HG13 VAL 16 3HG1 VAL 16 -1.109 -3.460 -3.160 97 HG21 VAL 16 1HG2 VAL 16 1.286 -5.229 -4.158 98 HG22 VAL 16 2HG2 VAL 16 1.626 -4.710 -5.809 99 HG23 VAL 16 3HG2 VAL 16 1.768 -3.562 -4.477 100 H ASN 17 H ASN 17 -2.582 -4.922 -6.988 101 HA ASN 17 HA ASN 17 -4.725 -3.492 -5.728 102 HB2 ASN 17 1HB ASN 17 -4.163 -4.459 -8.511 103 HB3 ASN 17 2HB ASN 17 -5.782 -3.907 -8.089 104 HD21 ASN 17 1HD2 ASN 17 -2.426 -2.871 -7.556 105 HD22 ASN 17 2HD2 ASN 17 -2.699 -1.211 -7.952 106 H ARG 18 H ARG 18 -4.172 -6.784 -6.816 107 HA ARG 18 HA ARG 18 -6.868 -7.655 -6.535 108 HB2 ARG 18 1HB ARG 18 -5.291 -8.856 -7.957 109 HB3 ARG 18 2HB ARG 18 -4.286 -9.227 -6.563 110 HG2 ARG 18 1HG ARG 18 -6.151 -10.536 -5.611 111 HG3 ARG 18 2HG ARG 18 -7.077 -10.226 -7.081 112 HD2 ARG 18 1HD ARG 18 -4.348 -11.376 -7.347 113 HD3 ARG 18 2HD ARG 18 -5.642 -12.427 -6.775 114 HE ARG 18 HE ARG 18 -5.230 -11.550 -9.436 115 HH11 ARG 18 2HH1 ARG 18 -7.742 -12.230 -7.124 116 HH12 ARG 18 1HH1 ARG 18 -8.924 -12.626 -8.328 117 HH21 ARG 18 2HH2 ARG 18 -6.776 -12.069 -11.031 118 HH22 ARG 18 1HH2 ARG 18 -8.373 -12.535 -10.550 119 H THR 19 H THR 19 -4.008 -7.809 -4.450 120 HA THR 19 HA THR 19 -5.159 -9.315 -2.375 121 HB THR 19 HB THR 19 -2.995 -7.229 -2.067 122 HG1 THR 19 1HG THR 19 -2.011 -8.521 -3.451 123 HG21 THR 19 1HG2 THR 19 -4.252 -9.032 -0.246 124 HG22 THR 19 2HG2 THR 19 -2.937 -7.896 0.057 125 HG23 THR 19 3HG2 THR 19 -2.579 -9.536 -0.480 126 H LEU 20 H LEU 20 -5.068 -5.842 -2.993 127 HA LEU 20 HA LEU 20 -6.088 -4.967 -0.533 128 HB2 LEU 20 1HB LEU 20 -6.232 -3.803 -3.301 129 HB3 LEU 20 2HB LEU 20 -6.877 -2.973 -1.886 130 HG LEU 20 HG LEU 20 -4.012 -3.839 -1.947 131 HD11 LEU 20 1HD1 LEU 20 -3.312 -2.122 -3.248 132 HD12 LEU 20 2HD1 LEU 20 -4.672 -1.087 -2.812 133 HD13 LEU 20 3HD1 LEU 20 -4.888 -2.376 -3.997 134 HD21 LEU 20 1HD2 LEU 20 -3.740 -2.386 -0.210 135 HD22 LEU 20 2HD2 LEU 20 -5.428 -2.831 0.047 136 HD23 LEU 20 3HD2 LEU 20 -5.028 -1.313 -0.758 137 H SER 21 H SER 21 -7.752 -5.804 -3.557 138 HA SER 21 HA SER 21 -10.356 -5.218 -2.658 139 HB2 SER 21 1HB SER 21 -9.727 -5.512 -5.048 140 HB3 SER 21 2HB SER 21 -9.538 -7.241 -4.757 141 HG SER 21 HG SER 21 -11.948 -5.998 -4.050 142 H GLU 22 H GLU 22 -8.521 -8.256 -2.734 143 HA GLU 22 HA GLU 22 -10.294 -10.122 -1.968 144 HB2 GLU 22 1HB GLU 22 -7.473 -9.649 -1.072 145 HB3 GLU 22 2HB GLU 22 -8.393 -10.985 -0.394 146 HG2 GLU 22 1HG GLU 22 -8.859 -11.504 -2.933 147 HG3 GLU 22 2HG GLU 22 -7.368 -10.590 -3.151 148 H ALA 23 H ALA 23 -8.946 -7.631 0.135 149 HA ALA 23 HA ALA 23 -10.560 -8.584 2.377 150 HB1 ALA 23 1HB ALA 23 -8.337 -6.586 2.132 151 HB2 ALA 23 2HB ALA 23 -9.352 -6.663 3.572 152 HB3 ALA 23 3HB ALA 23 -8.399 -8.066 3.090 153 H GLY 24 H GLY 24 -10.183 -5.754 0.285 154 HA2 GLY 24 1HA GLY 24 -12.181 -4.569 -0.416 155 HA3 GLY 24 2HA GLY 24 -12.850 -4.866 1.181 156 H LYS 25 H LYS 25 -9.761 -3.525 0.014 157 HA LYS 25 HA LYS 25 -9.965 -1.406 2.001 158 HB2 LYS 25 1HB LYS 25 -7.741 -2.017 0.044 159 HB3 LYS 25 2HB LYS 25 -7.662 -0.870 1.375 160 HG2 LYS 25 1HG LYS 25 -8.247 -3.767 1.859 161 HG3 LYS 25 2HG LYS 25 -6.592 -3.175 1.687 162 HD2 LYS 25 1HD LYS 25 -6.693 -1.936 3.632 163 HD3 LYS 25 2HD LYS 25 -8.452 -1.804 3.580 164 HE2 LYS 25 1HE LYS 25 -7.174 -4.479 3.947 165 HE3 LYS 25 2HE LYS 25 -7.298 -3.377 5.317 166 HZ1 LYS 25 1HZ LYS 25 -9.184 -5.056 4.874 167 HZ2 LYS 25 2HZ LYS 25 -9.673 -3.964 3.678 168 HZ3 LYS 25 3HZ LYS 25 -9.587 -3.467 5.293 169 H SER 26 H SER 26 -9.725 0.827 1.462 170 HA SER 26 HA SER 26 -10.937 1.475 -1.125 171 HB2 SER 26 1HB SER 26 -10.624 3.157 1.373 172 HB3 SER 26 2HB SER 26 -11.443 3.670 -0.103 173 HG SER 26 HG SER 26 -12.248 1.841 1.844 174 H THR 27 H THR 27 -8.162 0.775 -0.994 175 HA THR 27 HA THR 27 -7.023 3.275 -2.024 176 HB THR 27 HB THR 27 -4.821 2.677 -1.003 177 HG1 THR 27 1HG THR 27 -6.420 0.635 0.089 178 HG21 THR 27 1HG2 THR 27 -5.441 3.385 1.313 179 HG22 THR 27 2HG2 THR 27 -7.136 3.207 0.859 180 HG23 THR 27 3HG2 THR 27 -6.126 4.400 0.044 181 H SER 28 H SER 28 -5.277 2.979 -3.528 182 HA SER 28 HA SER 28 -4.452 0.415 -4.420 183 HB2 SER 28 1HB SER 28 -5.543 0.590 -6.705 184 HB3 SER 28 2HB SER 28 -6.626 0.175 -5.376 185 HG SER 28 HG SER 28 -6.263 2.858 -6.154 186 H ILE 29 H ILE 29 -2.870 0.520 -6.061 187 HA ILE 29 HA ILE 29 -1.946 3.253 -6.669 188 HB ILE 29 HB ILE 29 0.359 2.192 -6.825 189 HG12 ILE 29 1HG1 ILE 29 -0.677 0.072 -4.989 190 HG13 ILE 29 2HG1 ILE 29 -0.833 -0.166 -6.726 191 HG21 ILE 29 1HG2 ILE 29 -1.117 3.169 -4.618 192 HG22 ILE 29 2HG2 ILE 29 -0.089 1.862 -4.035 193 HG23 ILE 29 3HG2 ILE 29 0.625 3.232 -4.885 194 HD11 ILE 29 1HD1 ILE 29 1.170 -1.175 -6.350 195 HD12 ILE 29 2HD1 ILE 29 1.718 0.465 -6.699 196 HD13 ILE 29 3HD1 ILE 29 1.598 -0.089 -5.029 197 H GLN 30 H GLN 30 -0.368 3.228 -8.597 198 HA GLN 30 HA GLN 30 -1.470 1.479 -10.697 199 HB2 GLN 30 1HB GLN 30 -0.700 4.390 -10.806 200 HB3 GLN 30 2HB GLN 30 -0.887 3.414 -12.256 201 HG2 GLN 30 1HG GLN 30 -3.098 3.505 -10.262 202 HG3 GLN 30 2HG GLN 30 -2.860 4.861 -11.363 203 HE21 GLN 30 1HE2 GLN 30 -5.064 4.144 -12.001 204 HE22 GLN 30 2HE2 GLN 30 -5.189 2.943 -13.236 205 H SER 31 H SER 31 1.355 2.948 -9.288 206 HA SER 31 HA SER 31 3.076 0.982 -10.425 207 HB2 SER 31 1HB SER 31 2.663 2.851 -12.246 208 HB3 SER 31 2HB SER 31 3.846 3.742 -11.289 209 HG SER 31 HG SER 31 5.110 2.640 -12.631 210 H PHE 32 H PHE 32 5.494 1.760 -10.008 211 HA PHE 32 HA PHE 32 5.593 2.357 -7.186 212 HB2 PHE 32 1HB PHE 32 7.967 1.987 -9.006 213 HB3 PHE 32 2HB PHE 32 7.868 1.697 -7.273 214 HD1 PHE 32 1HD PHE 32 5.915 -0.066 -6.657 215 HD2 PHE 32 2HD PHE 32 8.045 0.131 -10.337 216 HE1 PHE 32 1HE PHE 32 5.395 -2.433 -7.081 217 HE2 PHE 32 2HE PHE 32 7.527 -2.235 -10.767 218 HZ PHE 32 HZ PHE 32 6.200 -3.521 -9.139 219 H LYS 33 H LYS 33 5.376 4.252 -9.841 220 HA LYS 33 HA LYS 33 7.101 6.363 -8.733 221 HB2 LYS 33 1HB LYS 33 6.059 5.856 -11.511 222 HB3 LYS 33 2HB LYS 33 6.689 7.428 -11.037 223 HG2 LYS 33 1HG LYS 33 8.777 6.105 -10.287 224 HG3 LYS 33 2HG LYS 33 8.129 4.824 -11.314 225 HD2 LYS 33 1HD LYS 33 9.466 5.939 -12.812 226 HD3 LYS 33 2HD LYS 33 7.928 6.766 -13.069 227 HE2 LYS 33 1HE LYS 33 8.657 8.518 -11.478 228 HE3 LYS 33 2HE LYS 33 10.219 7.710 -11.348 229 HZ1 LYS 33 1HZ LYS 33 9.180 9.384 -13.459 230 HZ2 LYS 33 2HZ LYS 33 9.954 7.983 -14.004 231 HZ3 LYS 33 3HZ LYS 33 10.782 9.074 -13.012 232 H ASP 34 H ASP 34 3.882 5.384 -9.112 233 HA ASP 34 HA ASP 34 2.375 7.599 -9.538 234 HB2 ASP 34 1HB ASP 34 1.715 5.169 -8.794 235 HB3 ASP 34 2HB ASP 34 1.678 5.883 -7.184 236 H LYS 35 H LYS 35 1.206 9.008 -7.971 237 HA LYS 35 HA LYS 35 3.098 10.019 -5.960 238 HB2 LYS 35 1HB LYS 35 0.792 11.463 -7.279 239 HB3 LYS 35 2HB LYS 35 1.973 12.170 -6.184 240 HG2 LYS 35 1HG LYS 35 2.791 10.893 -8.770 241 HG3 LYS 35 2HG LYS 35 2.272 12.578 -8.682 242 HD2 LYS 35 1HD LYS 35 4.450 11.465 -6.931 243 HD3 LYS 35 2HD LYS 35 4.773 12.139 -8.530 244 HE2 LYS 35 1HE LYS 35 3.170 13.738 -6.593 245 HE3 LYS 35 2HE LYS 35 4.914 13.627 -6.359 246 HZ1 LYS 35 1HZ LYS 35 5.280 15.004 -8.048 247 HZ2 LYS 35 2HZ LYS 35 3.631 15.375 -8.003 248 HZ3 LYS 35 3HZ LYS 35 4.203 14.196 -9.073 249 H THR 36 H THR 36 1.086 7.822 -5.660 250 HA THR 36 HA THR 36 -0.526 9.010 -3.496 251 HB THR 36 HB THR 36 -2.209 8.129 -4.735 252 HG1 THR 36 1HG THR 36 -1.238 5.713 -3.570 253 HG21 THR 36 1HG2 THR 36 -0.105 6.325 -5.871 254 HG22 THR 36 2HG2 THR 36 -1.149 7.482 -6.696 255 HG23 THR 36 3HG2 THR 36 -1.813 5.957 -6.111 256 H ILE 37 H ILE 37 2.150 7.158 -4.082 257 HA ILE 37 HA ILE 37 1.796 5.250 -1.937 258 HB ILE 37 HB ILE 37 4.319 5.886 -3.466 259 HG12 ILE 37 1HG1 ILE 37 2.514 3.553 -4.033 260 HG13 ILE 37 2HG1 ILE 37 2.209 5.116 -4.783 261 HG21 ILE 37 1HG2 ILE 37 5.203 3.895 -2.627 262 HG22 ILE 37 2HG2 ILE 37 4.392 4.620 -1.239 263 HG23 ILE 37 3HG2 ILE 37 3.622 3.300 -2.119 264 HD11 ILE 37 1HD1 ILE 37 3.767 3.184 -5.841 265 HD12 ILE 37 2HD1 ILE 37 3.924 4.903 -6.206 266 HD13 ILE 37 3HD1 ILE 37 4.971 4.159 -4.999 267 H SER 38 H SER 38 3.311 8.354 -2.440 268 HA SER 38 HA SER 38 5.100 8.472 -0.339 269 HB2 SER 38 1HB SER 38 4.767 10.915 -0.383 270 HB3 SER 38 2HB SER 38 4.883 10.253 -2.013 271 HG SER 38 HG SER 38 2.849 10.747 -2.374 272 H SER 39 H SER 39 1.628 8.546 -0.275 273 HA SER 39 HA SER 39 1.438 9.528 2.424 274 HB2 SER 39 1HB SER 39 -0.936 9.183 2.200 275 HB3 SER 39 2HB SER 39 -0.345 9.864 0.684 276 HG SER 39 HG SER 39 -0.989 8.129 -0.295 277 H SER 40 H SER 40 1.871 6.475 0.903 278 HA SER 40 HA SER 40 2.130 4.364 1.709 279 HB2 SER 40 1HB SER 40 2.248 5.649 4.445 280 HB3 SER 40 2HB SER 40 2.899 4.078 3.978 281 HG SER 40 HG SER 40 4.532 5.035 2.954 282 H LEU 41 H LEU 41 -0.535 5.627 1.502 283 HA LEU 41 HA LEU 41 -2.104 4.502 3.646 284 HB2 LEU 41 1HB LEU 41 -2.860 5.820 1.046 285 HB3 LEU 41 2HB LEU 41 -4.032 5.242 2.229 286 HG LEU 41 HG LEU 41 -1.976 7.392 2.737 287 HD11 LEU 41 1HD1 LEU 41 -3.383 8.887 1.898 288 HD12 LEU 41 2HD1 LEU 41 -4.724 8.233 2.838 289 HD13 LEU 41 3HD1 LEU 41 -4.341 7.552 1.258 290 HD21 LEU 41 1HD2 LEU 41 -3.531 7.801 4.714 291 HD22 LEU 41 2HD2 LEU 41 -2.473 6.393 4.800 292 HD23 LEU 41 3HD2 LEU 41 -4.177 6.192 4.390 293 H ALA 42 H ALA 42 -1.335 3.709 0.303 294 HA ALA 42 HA ALA 42 -3.158 1.499 0.164 295 HB1 ALA 42 1HB ALA 42 -0.916 2.431 -1.609 296 HB2 ALA 42 2HB ALA 42 -1.849 0.971 -1.940 297 HB3 ALA 42 3HB ALA 42 -2.654 2.539 -1.891 298 H VAL 43 H VAL 43 0.185 1.952 1.065 299 HA VAL 43 HA VAL 43 1.048 -0.722 0.892 300 HB VAL 43 HB VAL 43 2.012 1.430 2.781 301 HG11 VAL 43 1HG1 VAL 43 3.902 0.146 3.200 302 HG12 VAL 43 2HG1 VAL 43 2.603 -1.048 3.211 303 HG13 VAL 43 3HG1 VAL 43 3.638 -0.882 1.792 304 HG21 VAL 43 1HG2 VAL 43 2.580 2.430 0.847 305 HG22 VAL 43 2HG2 VAL 43 3.887 1.247 0.834 306 HG23 VAL 43 3HG2 VAL 43 2.416 0.945 -0.090 307 H VAL 44 H VAL 44 -0.068 1.139 3.723 308 HA VAL 44 HA VAL 44 -0.002 -0.958 5.565 309 HB VAL 44 HB VAL 44 -1.901 1.392 5.549 310 HG11 VAL 44 1HG1 VAL 44 -2.583 0.807 7.603 311 HG12 VAL 44 2HG1 VAL 44 -1.981 -0.796 7.178 312 HG13 VAL 44 3HG1 VAL 44 -0.966 0.311 8.103 313 HG21 VAL 44 1HG2 VAL 44 0.368 2.178 5.392 314 HG22 VAL 44 2HG2 VAL 44 -0.213 2.444 7.036 315 HG23 VAL 44 3HG2 VAL 44 0.875 1.099 6.692 316 H ASP 45 H ASP 45 -2.727 0.246 3.616 317 HA ASP 45 HA ASP 45 -4.684 -1.503 4.515 318 HB2 ASP 45 1HB ASP 45 -4.257 -0.097 1.894 319 HB3 ASP 45 2HB ASP 45 -5.622 -1.188 2.114 320 H LEU 46 H LEU 46 -2.151 -1.994 2.132 321 HA LEU 46 HA LEU 46 -3.102 -4.418 1.055 322 HB2 LEU 46 1HB LEU 46 -1.411 -3.159 -0.087 323 HB3 LEU 46 2HB LEU 46 -0.316 -3.297 1.287 324 HG LEU 46 HG LEU 46 -0.321 -5.801 0.850 325 HD11 LEU 46 1HD1 LEU 46 -0.909 -5.470 -1.959 326 HD12 LEU 46 2HD1 LEU 46 -2.317 -5.121 -0.956 327 HD13 LEU 46 3HD1 LEU 46 -1.499 -6.677 -0.817 328 HD21 LEU 46 1HD2 LEU 46 1.430 -5.633 -0.747 329 HD22 LEU 46 2HD2 LEU 46 1.498 -4.176 0.244 330 HD23 LEU 46 3HD2 LEU 46 0.801 -4.110 -1.375 331 H ILE 47 H ILE 47 -0.668 -3.804 3.584 332 HA ILE 47 HA ILE 47 -0.017 -6.402 4.228 333 HB ILE 47 HB ILE 47 -0.267 -4.017 6.059 334 HG12 ILE 47 1HG1 ILE 47 2.305 -5.246 5.150 335 HG13 ILE 47 2HG1 ILE 47 1.418 -4.210 4.038 336 HG21 ILE 47 1HG2 ILE 47 0.187 -6.788 6.693 337 HG22 ILE 47 2HG2 ILE 47 1.589 -5.810 7.123 338 HG23 ILE 47 3HG2 ILE 47 0.000 -5.406 7.772 339 HD11 ILE 47 1HD1 ILE 47 2.861 -2.732 5.041 340 HD12 ILE 47 2HD1 ILE 47 1.409 -2.541 6.025 341 HD13 ILE 47 3HD1 ILE 47 2.750 -3.523 6.613 342 H ASP 48 H ASP 48 -2.694 -4.452 5.510 343 HA ASP 48 HA ASP 48 -3.708 -6.155 7.409 344 HB2 ASP 48 1HB ASP 48 -4.565 -3.865 6.871 345 HB3 ASP 48 2HB ASP 48 -5.389 -4.551 5.474 346 H ALA 49 H ALA 49 -4.369 -6.192 3.921 347 HA ALA 49 HA ALA 49 -6.244 -8.242 3.860 348 HB1 ALA 49 1HB ALA 49 -4.225 -8.073 1.680 349 HB2 ALA 49 2HB ALA 49 -5.977 -8.251 1.587 350 HB3 ALA 49 3HB ALA 49 -5.271 -6.684 1.979 351 H ILE 50 H ILE 50 -2.724 -8.523 3.335 352 HA ILE 50 HA ILE 50 -2.619 -11.302 3.162 353 HB ILE 50 HB ILE 50 -0.488 -9.467 4.265 354 HG12 ILE 50 1HG1 ILE 50 -0.517 -10.517 1.465 355 HG13 ILE 50 2HG1 ILE 50 -1.533 -9.136 1.863 356 HG21 ILE 50 1HG2 ILE 50 -0.604 -12.311 3.964 357 HG22 ILE 50 2HG2 ILE 50 0.627 -11.649 2.890 358 HG23 ILE 50 3HG2 ILE 50 0.692 -11.312 4.619 359 HD11 ILE 50 1HD1 ILE 50 1.453 -9.348 1.991 360 HD12 ILE 50 2HD1 ILE 50 0.465 -8.240 1.037 361 HD13 ILE 50 3HD1 ILE 50 0.560 -8.053 2.788 362 H GLN 51 H GLN 51 -1.720 -9.331 6.002 363 HA GLN 51 HA GLN 51 -2.636 -11.552 7.706 364 HB2 GLN 51 1HB GLN 51 -0.249 -11.585 7.799 365 HB3 GLN 51 2HB GLN 51 -0.170 -9.840 8.003 366 HG2 GLN 51 1HG GLN 51 -0.714 -9.930 10.216 367 HG3 GLN 51 2HG GLN 51 -1.629 -11.427 10.044 368 HE21 GLN 51 1HE2 GLN 51 0.675 -10.460 11.790 369 HE22 GLN 51 2HE2 GLN 51 1.826 -11.744 11.695 370 HA PRO 52 HA PRO 52 -4.992 -7.766 8.854 371 HB2 PRO 52 1HB PRO 52 -7.303 -9.101 9.356 372 HB3 PRO 52 2HB PRO 52 -6.837 -8.561 7.738 373 HG2 PRO 52 1HG PRO 52 -6.580 -11.274 8.977 374 HG3 PRO 52 2HG PRO 52 -7.112 -10.836 7.343 375 HD2 PRO 52 1HD PRO 52 -4.610 -11.727 7.871 376 HD3 PRO 52 2HD PRO 52 -4.955 -10.558 6.579 377 H GLY 53 H GLY 53 -6.278 -7.367 10.887 378 HA2 GLY 53 1HA GLY 53 -6.720 -7.744 13.156 379 HA3 GLY 53 2HA GLY 53 -5.751 -9.207 13.079 380 H CYS 54 H CYS 54 -3.576 -7.587 11.726 381 HA CYS 54 HA CYS 54 -2.341 -6.681 14.206 382 HB2 CYS 54 1HB CYS 54 -0.272 -6.935 13.147 383 HB3 CYS 54 2HB CYS 54 -1.237 -8.232 12.453 384 HG CYS 54 HG CYS 54 -0.843 -7.566 10.014 385 H ILE 55 H ILE 55 -3.416 -5.444 11.109 386 HA ILE 55 HA ILE 55 -2.227 -2.865 11.392 387 HB ILE 55 HB ILE 55 -4.491 -3.803 9.629 388 HG12 ILE 55 1HG1 ILE 55 -2.263 -4.831 9.213 389 HG13 ILE 55 2HG1 ILE 55 -2.828 -3.848 7.867 390 HG21 ILE 55 1HG2 ILE 55 -3.117 -1.154 9.866 391 HG22 ILE 55 2HG2 ILE 55 -3.804 -1.680 8.330 392 HG23 ILE 55 3HG2 ILE 55 -4.840 -1.510 9.747 393 HD11 ILE 55 1HD1 ILE 55 -0.699 -3.105 7.968 394 HD12 ILE 55 2HD1 ILE 55 -1.408 -2.002 9.149 395 HD13 ILE 55 3HD1 ILE 55 -0.544 -3.441 9.692 396 H ASN 56 H ASN 56 -2.922 -1.145 12.487 397 HA ASN 56 HA ASN 56 -5.681 -1.179 13.523 398 HB2 ASN 56 1HB ASN 56 -3.744 -1.480 15.195 399 HB3 ASN 56 2HB ASN 56 -3.395 0.221 14.896 400 HD21 ASN 56 1HD2 ASN 56 -3.932 -0.371 17.391 401 HD22 ASN 56 2HD2 ASN 56 -5.523 0.122 17.850 402 H TYR 57 H TYR 57 -6.450 0.023 11.748 403 HA TYR 57 HA TYR 57 -5.422 2.310 10.639 404 HB2 TYR 57 1HB TYR 57 -8.284 1.503 11.142 405 HB3 TYR 57 2HB TYR 57 -7.863 2.957 10.243 406 HD1 TYR 57 2HD TYR 57 -5.582 2.080 8.638 407 HD2 TYR 57 1HD TYR 57 -9.181 0.023 9.594 408 HE1 TYR 57 2HE TYR 57 -5.360 0.748 6.583 409 HE2 TYR 57 1HE TYR 57 -8.969 -1.316 7.542 410 HH TYR 57 HH TYR 57 -6.482 -0.640 5.157 411 H ASP 58 H ASP 58 -7.251 1.987 13.633 412 HA ASP 58 HA ASP 58 -7.964 4.485 14.315 413 HB2 ASP 58 1HB ASP 58 -6.565 2.441 16.041 414 HB3 ASP 58 2HB ASP 58 -7.270 3.920 16.688 415 H LEU 59 H LEU 59 -4.677 3.307 14.088 416 HA LEU 59 HA LEU 59 -3.604 5.821 15.106 417 HB2 LEU 59 1HB LEU 59 -2.120 3.403 14.094 418 HB3 LEU 59 2HB LEU 59 -1.447 4.757 14.998 419 HG LEU 59 HG LEU 59 -3.500 2.863 16.128 420 HD11 LEU 59 1HD1 LEU 59 -1.116 1.972 15.413 421 HD12 LEU 59 2HD1 LEU 59 -1.878 1.479 16.925 422 HD13 LEU 59 3HD1 LEU 59 -0.645 2.740 16.930 423 HD21 LEU 59 1HD2 LEU 59 -1.755 4.111 18.019 424 HD22 LEU 59 2HD2 LEU 59 -3.511 4.215 17.886 425 HD23 LEU 59 3HD2 LEU 59 -2.490 5.344 16.993 426 H VAL 60 H VAL 60 -3.730 3.932 12.124 427 HA VAL 60 HA VAL 60 -2.039 5.439 10.523 428 HB VAL 60 HB VAL 60 -4.594 4.046 9.709 429 HG11 VAL 60 1HG1 VAL 60 -2.254 4.705 7.940 430 HG12 VAL 60 2HG1 VAL 60 -3.857 4.133 7.471 431 HG13 VAL 60 3HG1 VAL 60 -3.651 5.768 8.101 432 HG21 VAL 60 1HG2 VAL 60 -1.972 3.092 10.492 433 HG22 VAL 60 2HG2 VAL 60 -3.467 2.194 10.234 434 HG23 VAL 60 3HG2 VAL 60 -2.411 2.559 8.869 435 H LYS 61 H LYS 61 -2.267 7.240 9.248 436 HA LYS 61 HA LYS 61 -4.559 8.957 9.890 437 HB2 LYS 61 1HB LYS 61 -1.717 9.458 9.158 438 HB3 LYS 61 2HB LYS 61 -2.908 10.651 8.656 439 HG2 LYS 61 1HG LYS 61 -2.822 9.710 11.491 440 HG3 LYS 61 2HG LYS 61 -1.692 10.939 10.917 441 HD2 LYS 61 1HD LYS 61 -3.709 12.209 10.067 442 HD3 LYS 61 2HD LYS 61 -4.700 11.065 10.975 443 HE2 LYS 61 1HE LYS 61 -3.474 11.699 13.028 444 HE3 LYS 61 2HE LYS 61 -2.585 12.902 12.095 445 HZ1 LYS 61 1HZ LYS 61 -5.502 12.851 12.632 446 HZ2 LYS 61 2HZ LYS 61 -4.768 13.915 11.541 447 HZ3 LYS 61 3HZ LYS 61 -4.377 13.988 13.185 448 H SER 62 H SER 62 -5.782 9.947 8.301 449 HA SER 62 HA SER 62 -5.292 9.075 5.533 450 HB2 SER 62 1HB SER 62 -7.721 8.778 5.229 451 HB3 SER 62 2HB SER 62 -7.092 7.702 6.476 452 HG SER 62 HG SER 62 -7.747 9.701 7.858 453 H GLY 63 H GLY 63 -5.660 10.569 3.951 454 HA2 GLY 63 1HA GLY 63 -6.762 12.564 3.139 455 HA3 GLY 63 2HA GLY 63 -6.767 13.171 4.788 456 H ASN 64 H ASN 64 -5.861 14.780 2.792 457 HA ASN 64 HA ASN 64 -3.359 14.853 1.881 458 HB2 ASN 64 1HB ASN 64 -4.932 16.751 1.725 459 HB3 ASN 64 2HB ASN 64 -4.614 17.142 3.412 460 HD21 ASN 64 1HD2 ASN 64 -3.658 17.583 0.211 461 HD22 ASN 64 2HD2 ASN 64 -2.193 18.451 0.506 462 H LEU 65 H LEU 65 -1.837 13.682 3.005 463 HA LEU 65 HA LEU 65 -1.240 14.296 5.765 464 HB2 LEU 65 1HB LEU 65 0.391 12.575 3.921 465 HB3 LEU 65 2HB LEU 65 0.310 12.516 5.681 466 HG LEU 65 HG LEU 65 -1.959 11.754 3.845 467 HD11 LEU 65 1HD1 LEU 65 -0.065 9.950 5.341 468 HD12 LEU 65 2HD1 LEU 65 0.005 10.267 3.608 469 HD13 LEU 65 3HD1 LEU 65 -1.402 9.460 4.301 470 HD21 LEU 65 1HD2 LEU 65 -2.452 12.546 6.206 471 HD22 LEU 65 2HD2 LEU 65 -1.600 11.104 6.759 472 HD23 LEU 65 3HD2 LEU 65 -3.052 10.946 5.768 473 H THR 66 H THR 66 0.135 15.797 6.434 474 HA THR 66 HA THR 66 1.653 17.346 4.553 475 HB THR 66 HB THR 66 0.574 18.353 6.558 476 HG1 THR 66 1HG THR 66 3.330 18.804 6.862 477 HG21 THR 66 1HG2 THR 66 2.835 17.402 8.248 478 HG22 THR 66 2HG2 THR 66 1.468 16.317 7.993 479 HG23 THR 66 3HG2 THR 66 1.211 17.905 8.715 480 H GLU 67 H GLU 67 3.995 17.916 5.166 481 HA GLU 67 HA GLU 67 5.743 15.998 4.564 482 HB2 GLU 67 1HB GLU 67 6.022 18.320 6.432 483 HB3 GLU 67 2HB GLU 67 7.369 17.209 6.229 484 HG2 GLU 67 1HG GLU 67 7.716 17.809 4.039 485 HG3 GLU 67 2HG GLU 67 6.062 18.376 3.820 486 H ASP 68 H ASP 68 4.800 16.694 7.928 487 HA ASP 68 HA ASP 68 6.236 14.531 9.050 488 HB2 ASP 68 1HB ASP 68 3.768 15.708 10.302 489 HB3 ASP 68 2HB ASP 68 5.217 15.091 11.091 490 H ASP 69 H ASP 69 2.701 14.911 8.725 491 HA ASP 69 HA ASP 69 1.812 12.471 9.425 492 HB2 ASP 69 1HB ASP 69 0.885 13.978 6.971 493 HB3 ASP 69 2HB ASP 69 -0.031 12.737 7.822 494 H LYS 70 H LYS 70 2.617 13.203 6.026 495 HA LYS 70 HA LYS 70 2.426 10.790 4.862 496 HB2 LYS 70 1HB LYS 70 4.503 12.932 4.520 497 HB3 LYS 70 2HB LYS 70 4.580 11.458 3.564 498 HG2 LYS 70 1HG LYS 70 2.391 11.902 2.638 499 HG3 LYS 70 2HG LYS 70 2.225 13.333 3.658 500 HD2 LYS 70 1HD LYS 70 4.114 14.376 2.531 501 HD3 LYS 70 2HD LYS 70 4.344 12.930 1.545 502 HE2 LYS 70 1HE LYS 70 1.943 13.292 0.763 503 HE3 LYS 70 2HE LYS 70 2.068 14.893 1.490 504 HZ1 LYS 70 1HZ LYS 70 3.135 15.608 -0.295 505 HZ2 LYS 70 2HZ LYS 70 2.934 14.097 -1.027 506 HZ3 LYS 70 3HZ LYS 70 4.327 14.419 -0.123 507 H HIS 71 H HIS 71 5.378 11.873 6.547 508 HA HIS 71 HA HIS 71 6.800 9.485 6.330 509 HB2 HIS 71 1HB HIS 71 6.922 11.847 8.142 510 HB3 HIS 71 2HB HIS 71 7.819 10.406 8.611 511 HD1 HIS 71 1HD HIS 71 9.725 9.627 6.949 512 HD2 HIS 71 2HD HIS 71 8.061 13.345 6.132 513 HE1 HIS 71 1HE HIS 71 11.322 10.744 5.360 514 HE2 HIS 71 2HE HIS 71 10.337 13.025 4.947 515 H ASN 72 H ASN 72 4.730 10.630 8.989 516 HA ASN 72 HA ASN 72 5.011 8.540 10.751 517 HB2 ASN 72 1HB ASN 72 2.620 10.255 10.098 518 HB3 ASN 72 2HB ASN 72 2.582 9.057 11.388 519 HD21 ASN 72 1HD2 ASN 72 2.429 12.029 11.380 520 HD22 ASN 72 2HD2 ASN 72 3.649 12.539 12.491 521 H ASN 73 H ASN 73 2.740 8.765 8.027 522 HA ASN 73 HA ASN 73 1.456 6.311 8.415 523 HB2 ASN 73 1HB ASN 73 1.973 7.825 5.846 524 HB3 ASN 73 2HB ASN 73 0.847 6.481 6.008 525 HD21 ASN 73 1HD2 ASN 73 -1.132 7.253 5.933 526 HD22 ASN 73 2HD2 ASN 73 -1.717 8.636 6.786 527 H ALA 74 H ALA 74 4.287 7.124 6.429 528 HA ALA 74 HA ALA 74 4.721 4.580 5.345 529 HB1 ALA 74 1HB ALA 74 7.174 5.451 5.249 530 HB2 ALA 74 2HB ALA 74 5.922 6.240 4.289 531 HB3 ALA 74 3HB ALA 74 6.459 6.965 5.804 532 H LYS 75 H LYS 75 6.421 6.108 8.089 533 HA LYS 75 HA LYS 75 8.014 4.092 8.934 534 HB2 LYS 75 1HB LYS 75 6.433 6.129 10.458 535 HB3 LYS 75 2HB LYS 75 7.361 4.919 11.335 536 HG2 LYS 75 1HG LYS 75 9.369 5.653 10.016 537 HG3 LYS 75 2HG LYS 75 8.390 6.996 9.422 538 HD2 LYS 75 1HD LYS 75 8.566 6.505 12.361 539 HD3 LYS 75 2HD LYS 75 9.915 7.288 11.535 540 HE2 LYS 75 1HE LYS 75 8.336 8.968 10.638 541 HE3 LYS 75 2HE LYS 75 7.043 8.211 11.567 542 HZ1 LYS 75 1HZ LYS 75 8.489 8.638 13.575 543 HZ2 LYS 75 2HZ LYS 75 7.788 10.000 12.857 544 HZ3 LYS 75 3HZ LYS 75 9.420 9.648 12.587 545 H TYR 76 H TYR 76 4.551 4.397 9.627 546 HA TYR 76 HA TYR 76 4.333 2.145 11.296 547 HB2 TYR 76 1HB TYR 76 2.633 4.041 10.869 548 HB3 TYR 76 2HB TYR 76 2.118 3.081 9.487 549 HD1 TYR 76 1HD TYR 76 2.885 2.512 13.108 550 HD2 TYR 76 2HD TYR 76 0.280 1.743 9.832 551 HE1 TYR 76 1HE TYR 76 1.435 1.179 14.581 552 HE2 TYR 76 2HE TYR 76 -1.178 0.410 11.297 553 HH TYR 76 HH TYR 76 -0.523 0.113 14.764 554 H ALA 77 H ALA 77 3.420 2.471 7.861 555 HA ALA 77 HA ALA 77 2.724 -0.090 7.270 556 HB1 ALA 77 1HB ALA 77 2.911 2.024 5.762 557 HB2 ALA 77 2HB ALA 77 4.491 1.357 5.346 558 HB3 ALA 77 3HB ALA 77 3.029 0.418 5.041 559 H VAL 78 H VAL 78 6.041 1.202 7.228 560 HA VAL 78 HA VAL 78 7.373 -1.099 6.427 561 HB VAL 78 HB VAL 78 8.379 0.975 8.381 562 HG11 VAL 78 1HG1 VAL 78 10.165 -0.349 8.514 563 HG12 VAL 78 2HG1 VAL 78 9.575 -1.396 7.221 564 HG13 VAL 78 3HG1 VAL 78 10.485 0.064 6.830 565 HG21 VAL 78 1HG2 VAL 78 7.481 1.600 5.974 566 HG22 VAL 78 2HG2 VAL 78 8.937 2.343 6.637 567 HG23 VAL 78 3HG2 VAL 78 9.071 1.010 5.490 568 H SER 79 H SER 79 7.169 0.068 9.794 569 HA SER 79 HA SER 79 8.189 -2.065 11.120 570 HB2 SER 79 1HB SER 79 7.191 0.130 12.053 571 HB3 SER 79 2HB SER 79 5.672 -0.762 12.139 572 HG SER 79 HG SER 79 7.255 -2.381 13.251 573 H MET 80 H MET 80 4.803 -1.731 10.085 574 HA MET 80 HA MET 80 3.901 -4.193 11.085 575 HB2 MET 80 1HB MET 80 2.896 -2.603 8.718 576 HB3 MET 80 2HB MET 80 2.030 -3.928 9.482 577 HG2 MET 80 1HG MET 80 2.689 -1.239 10.641 578 HG3 MET 80 2HG MET 80 1.100 -1.922 10.307 579 HE1 MET 80 1HE MET 80 1.102 -4.892 12.964 580 HE2 MET 80 2HE MET 80 0.144 -4.113 11.704 581 HE3 MET 80 3HE MET 80 1.659 -4.918 11.290 582 H ALA 81 H ALA 81 4.889 -3.323 7.770 583 HA ALA 81 HA ALA 81 4.612 -5.753 6.532 584 HB1 ALA 81 1HB ALA 81 6.115 -4.999 4.882 585 HB2 ALA 81 2HB ALA 81 5.342 -3.547 5.520 586 HB3 ALA 81 3HB ALA 81 6.978 -3.970 6.025 587 H ARG 82 H ARG 82 7.554 -4.585 8.179 588 HA ARG 82 HA ARG 82 8.923 -7.066 7.914 589 HB2 ARG 82 1HB ARG 82 10.636 -6.087 9.263 590 HB3 ARG 82 2HB ARG 82 10.019 -4.827 8.203 591 HG2 ARG 82 1HG ARG 82 8.910 -3.738 9.941 592 HG3 ARG 82 2HG ARG 82 8.982 -5.153 10.993 593 HD2 ARG 82 1HD ARG 82 11.487 -3.802 10.058 594 HD3 ARG 82 2HD ARG 82 10.585 -3.174 11.437 595 HE ARG 82 HE ARG 82 12.304 -5.414 11.435 596 HH11 ARG 82 2HH1 ARG 82 9.268 -4.310 12.730 597 HH12 ARG 82 1HH1 ARG 82 9.357 -5.310 14.142 598 HH21 ARG 82 2HH2 ARG 82 12.434 -6.735 13.290 599 HH22 ARG 82 1HH2 ARG 82 11.159 -6.688 14.460 600 H ARG 83 H ARG 83 6.669 -5.784 10.197 601 HA ARG 83 HA ARG 83 7.335 -7.512 12.369 602 HB2 ARG 83 1HB ARG 83 6.163 -5.423 12.776 603 HB3 ARG 83 2HB ARG 83 4.818 -5.950 11.772 604 HG2 ARG 83 1HG ARG 83 4.418 -7.800 13.382 605 HG3 ARG 83 2HG ARG 83 5.669 -7.107 14.416 606 HD2 ARG 83 1HD ARG 83 4.322 -4.951 14.331 607 HD3 ARG 83 2HD ARG 83 3.022 -5.917 13.634 608 HE ARG 83 HE ARG 83 3.663 -7.280 15.878 609 HH11 ARG 83 2HH1 ARG 83 2.880 -3.946 15.250 610 HH12 ARG 83 1HH1 ARG 83 2.172 -3.683 16.809 611 HH21 ARG 83 2HH2 ARG 83 2.733 -6.946 17.934 612 HH22 ARG 83 1HH2 ARG 83 2.090 -5.390 18.336 613 H ILE 84 H ILE 84 5.245 -7.732 9.580 614 HA ILE 84 HA ILE 84 3.910 -10.116 10.533 615 HB ILE 84 HB ILE 84 2.866 -10.152 8.278 616 HG12 ILE 84 1HG1 ILE 84 4.185 -7.487 7.802 617 HG13 ILE 84 2HG1 ILE 84 4.905 -8.986 7.225 618 HG21 ILE 84 1HG2 ILE 84 1.290 -8.730 8.992 619 HG22 ILE 84 2HG2 ILE 84 2.335 -8.517 10.395 620 HG23 ILE 84 3HG2 ILE 84 2.411 -7.370 9.058 621 HD11 ILE 84 1HD1 ILE 84 2.384 -7.646 6.364 622 HD12 ILE 84 2HD1 ILE 84 3.725 -8.250 5.391 623 HD13 ILE 84 3HD1 ILE 84 2.594 -9.381 6.133 624 H GLY 85 H GLY 85 6.938 -9.623 9.518 625 HA2 GLY 85 1HA GLY 85 8.499 -11.336 9.105 626 HA3 GLY 85 2HA GLY 85 7.185 -12.375 8.573 627 H ALA 86 H ALA 86 8.698 -9.291 7.611 628 HA ALA 86 HA ALA 86 8.697 -10.285 4.838 629 HB1 ALA 86 1HB ALA 86 6.951 -8.562 5.201 630 HB2 ALA 86 2HB ALA 86 8.218 -7.423 5.656 631 HB3 ALA 86 3HB ALA 86 8.172 -8.085 4.022 632 H ARG 87 H ARG 87 10.541 -10.002 3.685 633 HA ARG 87 HA ARG 87 12.833 -8.902 5.142 634 HB2 ARG 87 1HB ARG 87 12.723 -11.281 4.060 635 HB3 ARG 87 2HB ARG 87 13.059 -10.416 2.567 636 HG2 ARG 87 1HG ARG 87 15.116 -11.236 3.480 637 HG3 ARG 87 2HG ARG 87 15.091 -9.476 3.616 638 HD2 ARG 87 1HD ARG 87 14.684 -9.552 5.927 639 HD3 ARG 87 2HD ARG 87 14.208 -11.249 5.871 640 HE ARG 87 HE ARG 87 16.897 -10.192 5.991 641 HH11 ARG 87 2HH1 ARG 87 14.879 -12.941 5.286 642 HH12 ARG 87 1HH1 ARG 87 16.150 -14.096 5.513 643 HH21 ARG 87 2HH2 ARG 87 18.578 -11.704 6.293 644 HH22 ARG 87 1HH2 ARG 87 18.253 -13.392 6.087 645 H VAL 88 H VAL 88 11.410 -6.851 4.363 646 HA VAL 88 HA VAL 88 12.293 -5.978 1.717 647 HB VAL 88 HB VAL 88 10.842 -4.001 2.132 648 HG11 VAL 88 1HG1 VAL 88 9.578 -5.423 0.931 649 HG12 VAL 88 2HG1 VAL 88 9.925 -6.791 1.990 650 HG13 VAL 88 3HG1 VAL 88 8.691 -5.615 2.443 651 HG21 VAL 88 1HG2 VAL 88 10.861 -5.087 4.807 652 HG22 VAL 88 2HG2 VAL 88 10.327 -3.504 4.241 653 HG23 VAL 88 3HG2 VAL 88 9.213 -4.871 4.218 654 H TYR 89 H TYR 89 12.794 -5.322 5.115 655 HA TYR 89 HA TYR 89 14.028 -3.681 6.183 656 HB2 TYR 89 1HB TYR 89 16.436 -3.900 5.581 657 HB3 TYR 89 2HB TYR 89 15.633 -5.449 5.817 658 HD1 TYR 89 2HD TYR 89 14.841 -6.699 3.724 659 HD2 TYR 89 1HD TYR 89 17.590 -3.455 3.596 660 HE1 TYR 89 2HE TYR 89 15.597 -7.436 1.503 661 HE2 TYR 89 1HE TYR 89 18.354 -4.182 1.374 662 HH TYR 89 HH TYR 89 17.195 -5.608 -0.594 663 H ALA 90 H ALA 90 12.485 -2.559 4.047 664 HA ALA 90 HA ALA 90 14.246 -0.660 2.719 665 HB1 ALA 90 1HB ALA 90 11.324 -1.294 2.504 666 HB2 ALA 90 2HB ALA 90 12.000 0.168 1.783 667 HB3 ALA 90 3HB ALA 90 12.583 -1.417 1.274 668 H LEU 91 H LEU 91 14.325 1.514 3.121 669 HA LEU 91 HA LEU 91 13.622 2.378 5.746 670 HB2 LEU 91 1HB LEU 91 14.523 4.080 3.431 671 HB3 LEU 91 2HB LEU 91 14.623 4.472 5.147 672 HG LEU 91 HG LEU 91 16.127 2.160 3.951 673 HD11 LEU 91 1HD1 LEU 91 17.074 3.828 2.694 674 HD12 LEU 91 2HD1 LEU 91 18.070 3.904 4.147 675 HD13 LEU 91 3HD1 LEU 91 16.769 5.070 3.909 676 HD21 LEU 91 1HD2 LEU 91 15.883 3.414 6.568 677 HD22 LEU 91 2HD2 LEU 91 17.555 3.248 6.033 678 HD23 LEU 91 3HD2 LEU 91 16.513 1.828 6.125 679 HA PRO 92 HA PRO 92 9.621 4.072 5.108 680 HB2 PRO 92 1HB PRO 92 9.655 6.126 6.882 681 HB3 PRO 92 2HB PRO 92 9.552 4.432 7.376 682 HG2 PRO 92 1HG PRO 92 11.937 6.239 7.294 683 HG3 PRO 92 2HG PRO 92 11.454 5.080 8.546 684 HD2 PRO 92 1HD PRO 92 13.366 4.528 6.709 685 HD3 PRO 92 2HD PRO 92 12.298 3.279 7.382 686 H GLU 93 H GLU 93 12.454 6.005 4.634 687 HA GLU 93 HA GLU 93 11.139 8.348 3.675 688 HB2 GLU 93 1HB GLU 93 13.974 7.381 3.263 689 HB3 GLU 93 2HB GLU 93 13.384 8.982 2.840 690 HG2 GLU 93 1HG GLU 93 12.850 9.385 5.208 691 HG3 GLU 93 2HG GLU 93 13.521 7.804 5.606 692 H ASP 94 H ASP 94 12.642 5.542 2.118 693 HA ASP 94 HA ASP 94 12.510 6.272 -0.526 694 HB2 ASP 94 1HB ASP 94 11.934 3.547 0.656 695 HB3 ASP 94 2HB ASP 94 12.298 3.857 -1.040 696 H LEU 95 H LEU 95 9.906 5.145 1.551 697 HA LEU 95 HA LEU 95 7.979 4.869 -0.529 698 HB2 LEU 95 1HB LEU 95 7.615 5.232 2.441 699 HB3 LEU 95 2HB LEU 95 6.342 4.777 1.311 700 HG LEU 95 HG LEU 95 8.799 3.087 1.633 701 HD11 LEU 95 1HD1 LEU 95 7.360 3.654 3.806 702 HD12 LEU 95 2HD1 LEU 95 8.051 2.059 3.506 703 HD13 LEU 95 3HD1 LEU 95 6.355 2.369 3.136 704 HD21 LEU 95 1HD2 LEU 95 5.972 2.578 0.717 705 HD22 LEU 95 2HD2 LEU 95 7.189 1.321 0.942 706 HD23 LEU 95 3HD2 LEU 95 7.433 2.577 -0.272 707 H VAL 96 H VAL 96 8.724 7.419 1.817 708 HA VAL 96 HA VAL 96 6.637 9.165 1.273 709 HB VAL 96 HB VAL 96 9.474 9.683 2.133 710 HG11 VAL 96 1HG1 VAL 96 9.134 11.751 1.257 711 HG12 VAL 96 2HG1 VAL 96 7.376 11.617 1.335 712 HG13 VAL 96 3HG1 VAL 96 8.300 11.981 2.793 713 HG21 VAL 96 1HG2 VAL 96 6.812 9.479 3.478 714 HG22 VAL 96 2HG2 VAL 96 8.340 8.704 3.897 715 HG23 VAL 96 3HG2 VAL 96 8.107 10.423 4.215 716 H GLU 97 H GLU 97 9.894 9.167 -0.184 717 HA GLU 97 HA GLU 97 9.184 11.146 -2.127 718 HB2 GLU 97 1HB GLU 97 11.583 9.319 -1.925 719 HB3 GLU 97 2HB GLU 97 11.414 10.609 -3.108 720 HG2 GLU 97 1HG GLU 97 11.120 11.274 -0.226 721 HG3 GLU 97 2HG GLU 97 12.732 10.969 -0.870 722 H VAL 98 H VAL 98 8.530 7.884 -1.867 723 HA VAL 98 HA VAL 98 7.721 6.301 -3.288 724 HB VAL 98 HB VAL 98 7.199 8.558 -5.219 725 HG11 VAL 98 1HG1 VAL 98 6.256 6.960 -6.437 726 HG12 VAL 98 2HG1 VAL 98 6.598 5.759 -5.190 727 HG13 VAL 98 3HG1 VAL 98 5.100 6.688 -5.134 728 HG21 VAL 98 1HG2 VAL 98 6.366 8.586 -2.627 729 HG22 VAL 98 2HG2 VAL 98 5.519 9.364 -3.965 730 HG23 VAL 98 3HG2 VAL 98 5.025 7.760 -3.421 731 H LYS 99 H LYS 99 10.413 6.411 -3.350 732 HA LYS 99 HA LYS 99 11.482 6.761 -5.974 733 HB2 LYS 99 1HB LYS 99 12.668 5.182 -3.687 734 HB3 LYS 99 2HB LYS 99 13.526 5.842 -5.074 735 HG2 LYS 99 1HG LYS 99 13.161 8.082 -4.315 736 HG3 LYS 99 2HG LYS 99 12.104 7.519 -3.018 737 HD2 LYS 99 1HD LYS 99 14.152 6.162 -2.236 738 HD3 LYS 99 2HD LYS 99 15.079 7.235 -3.287 739 HE2 LYS 99 1HE LYS 99 14.278 9.169 -2.071 740 HE3 LYS 99 2HE LYS 99 13.242 8.148 -1.075 741 HZ1 LYS 99 1HZ LYS 99 15.035 8.377 0.287 742 HZ2 LYS 99 2HZ LYS 99 16.148 8.502 -0.981 743 HZ3 LYS 99 3HZ LYS 99 15.518 6.991 -0.555 744 HA PRO 100 HA PRO 100 10.009 2.889 -7.598 745 HB2 PRO 100 1HB PRO 100 11.256 3.095 -10.000 746 HB3 PRO 100 2HB PRO 100 9.788 3.994 -9.600 747 HG2 PRO 100 1HG PRO 100 12.638 4.908 -9.561 748 HG3 PRO 100 2HG PRO 100 11.200 5.754 -10.162 749 HD2 PRO 100 1HD PRO 100 12.299 6.285 -7.745 750 HD3 PRO 100 2HD PRO 100 10.556 6.420 -8.051 751 H LYS 101 H LYS 101 13.031 3.629 -6.499 752 HA LYS 101 HA LYS 101 14.413 1.327 -7.604 753 HB2 LYS 101 1HB LYS 101 15.288 3.342 -5.526 754 HB3 LYS 101 2HB LYS 101 16.314 2.101 -6.233 755 HG2 LYS 101 1HG LYS 101 14.938 4.127 -7.953 756 HG3 LYS 101 2HG LYS 101 16.466 4.492 -7.149 757 HD2 LYS 101 1HD LYS 101 17.352 2.354 -8.209 758 HD3 LYS 101 2HD LYS 101 15.897 2.374 -9.209 759 HE2 LYS 101 1HE LYS 101 16.504 4.601 -10.032 760 HE3 LYS 101 2HE LYS 101 17.959 4.571 -9.037 761 HZ1 LYS 101 1HZ LYS 101 18.043 3.880 -11.534 762 HZ2 LYS 101 2HZ LYS 101 17.508 2.388 -10.944 763 HZ3 LYS 101 3HZ LYS 101 18.963 3.045 -10.386 764 H MET 102 H MET 102 13.406 2.458 -4.379 765 HA MET 102 HA MET 102 13.840 -0.227 -3.313 766 HB2 MET 102 1HB MET 102 13.305 2.448 -2.039 767 HB3 MET 102 2HB MET 102 13.202 0.951 -1.120 768 HG2 MET 102 1HG MET 102 15.647 1.797 -2.648 769 HG3 MET 102 2HG MET 102 15.375 2.174 -0.949 770 HE1 MET 102 1HE MET 102 16.630 -0.368 0.955 771 HE2 MET 102 2HE MET 102 15.464 0.947 0.807 772 HE3 MET 102 3HE MET 102 14.907 -0.727 0.833 773 H VAL 103 H VAL 103 11.261 2.183 -3.655 774 HA VAL 103 HA VAL 103 9.175 0.957 -2.382 775 HB VAL 103 HB VAL 103 9.068 2.419 -5.024 776 HG11 VAL 103 1HG1 VAL 103 6.671 2.882 -3.895 777 HG12 VAL 103 2HG1 VAL 103 6.970 1.579 -5.046 778 HG13 VAL 103 3HG1 VAL 103 6.970 1.245 -3.314 779 HG21 VAL 103 1HG2 VAL 103 8.288 3.591 -2.393 780 HG22 VAL 103 2HG2 VAL 103 9.996 3.497 -2.824 781 HG23 VAL 103 3HG2 VAL 103 8.875 4.391 -3.852 782 H MET 104 H MET 104 10.737 -0.028 -5.318 783 HA MET 104 HA MET 104 8.662 -1.741 -6.263 784 HB2 MET 104 1HB MET 104 10.159 -1.111 -7.930 785 HB3 MET 104 2HB MET 104 11.565 -1.376 -6.909 786 HG2 MET 104 1HG MET 104 9.885 -3.714 -7.638 787 HG3 MET 104 2HG MET 104 10.948 -3.020 -8.861 788 HE1 MET 104 1HE MET 104 11.233 -6.177 -7.485 789 HE2 MET 104 2HE MET 104 12.022 -6.090 -5.911 790 HE3 MET 104 3HE MET 104 10.438 -5.350 -6.146 791 H THR 105 H THR 105 11.704 -2.326 -4.513 792 HA THR 105 HA THR 105 11.297 -5.123 -4.240 793 HB THR 105 HB THR 105 13.499 -3.785 -4.000 794 HG1 THR 105 1HG THR 105 12.905 -6.138 -3.399 795 HG21 THR 105 1HG2 THR 105 12.183 -2.647 -1.878 796 HG22 THR 105 2HG2 THR 105 13.930 -2.633 -2.122 797 HG23 THR 105 3HG2 THR 105 13.193 -3.860 -1.093 798 H VAL 106 H VAL 106 9.976 -2.424 -2.632 799 HA VAL 106 HA VAL 106 9.486 -3.659 -0.099 800 HB VAL 106 HB VAL 106 8.215 -1.241 -1.388 801 HG11 VAL 106 1HG1 VAL 106 6.642 -1.490 0.185 802 HG12 VAL 106 2HG1 VAL 106 7.588 -2.686 1.073 803 HG13 VAL 106 3HG1 VAL 106 7.888 -0.964 1.316 804 HG21 VAL 106 1HG2 VAL 106 9.910 -0.855 0.948 805 HG22 VAL 106 2HG2 VAL 106 10.772 -1.563 -0.419 806 HG23 VAL 106 3HG2 VAL 106 9.924 -0.029 -0.610 807 H PHE 107 H PHE 107 7.700 -3.324 -3.109 808 HA PHE 107 HA PHE 107 5.278 -4.444 -2.026 809 HB2 PHE 107 1HB PHE 107 6.182 -3.551 -4.738 810 HB3 PHE 107 2HB PHE 107 4.748 -4.562 -4.596 811 HD1 PHE 107 1HD PHE 107 3.191 -3.689 -2.505 812 HD2 PHE 107 2HD PHE 107 5.741 -1.322 -4.957 813 HE1 PHE 107 1HE PHE 107 1.839 -1.700 -1.985 814 HE2 PHE 107 2HE PHE 107 4.394 0.671 -4.441 815 HZ PHE 107 HZ PHE 107 2.440 0.484 -2.953 816 H ALA 108 H ALA 108 7.679 -5.537 -4.423 817 HA ALA 108 HA ALA 108 6.740 -8.039 -4.983 818 HB1 ALA 108 1HB ALA 108 8.680 -7.134 -6.093 819 HB2 ALA 108 2HB ALA 108 9.615 -7.215 -4.599 820 HB3 ALA 108 3HB ALA 108 9.086 -8.700 -5.390 821 H CYS 109 H CYS 109 9.239 -7.456 -2.499 822 HA CYS 109 HA CYS 109 9.461 -9.848 -1.323 823 HB2 CYS 109 1HB CYS 109 9.379 -7.100 -0.145 824 HB3 CYS 109 2HB CYS 109 9.477 -8.484 0.936 825 HG CYS 109 HG CYS 109 11.858 -7.035 -0.822 826 H LEU 110 H LEU 110 6.939 -7.519 -0.350 827 HA LEU 110 HA LEU 110 5.571 -8.985 1.490 828 HB2 LEU 110 1HB LEU 110 4.440 -7.212 -0.667 829 HB3 LEU 110 2HB LEU 110 3.515 -7.805 0.711 830 HG LEU 110 HG LEU 110 5.969 -6.072 0.959 831 HD11 LEU 110 1HD1 LEU 110 3.361 -4.903 1.581 832 HD12 LEU 110 2HD1 LEU 110 3.608 -5.251 -0.129 833 HD13 LEU 110 3HD1 LEU 110 4.745 -4.213 0.732 834 HD21 LEU 110 1HD2 LEU 110 5.757 -7.012 3.024 835 HD22 LEU 110 2HD2 LEU 110 4.024 -7.285 2.848 836 HD23 LEU 110 3HD2 LEU 110 4.631 -5.667 3.206 837 H MET 111 H MET 111 5.052 -9.105 -2.030 838 HA MET 111 HA MET 111 3.006 -10.932 -2.155 839 HB2 MET 111 1HB MET 111 3.996 -9.749 -4.101 840 HB3 MET 111 2HB MET 111 5.383 -10.827 -4.019 841 HG2 MET 111 1HG MET 111 3.711 -12.727 -4.293 842 HG3 MET 111 2HG MET 111 2.552 -11.480 -4.749 843 HE1 MET 111 1HE MET 111 4.373 -9.431 -6.853 844 HE2 MET 111 2HE MET 111 3.429 -10.280 -8.077 845 HE3 MET 111 3HE MET 111 2.721 -9.935 -6.498 846 H GLY 112 H GLY 112 6.479 -11.584 -1.847 847 HA2 GLY 112 1HA GLY 112 6.685 -14.255 -2.167 848 HA3 GLY 112 2HA GLY 112 7.519 -13.409 -0.872 849 H ARG 113 H ARG 113 5.984 -12.912 1.062 850 HA ARG 113 HA ARG 113 5.160 -15.418 2.103 851 HB2 ARG 113 1HB ARG 113 5.159 -12.599 3.060 852 HB3 ARG 113 2HB ARG 113 4.101 -13.737 3.884 853 HG2 ARG 113 1HG ARG 113 6.010 -13.880 5.148 854 HG3 ARG 113 2HG ARG 113 6.242 -15.212 4.014 855 HD2 ARG 113 1HD ARG 113 7.595 -13.695 2.591 856 HD3 ARG 113 2HD ARG 113 7.439 -12.451 3.831 857 HE ARG 113 HE ARG 113 9.065 -13.511 5.029 858 HH11 ARG 113 2HH1 ARG 113 7.757 -15.743 2.701 859 HH12 ARG 113 1HH1 ARG 113 8.915 -16.984 3.045 860 HH21 ARG 113 2HH2 ARG 113 10.596 -15.137 5.492 861 HH22 ARG 113 1HH2 ARG 113 10.529 -16.639 4.634 862 H GLY 114 H GLY 114 3.412 -12.621 0.830 863 HA2 GLY 114 1HA GLY 114 0.825 -13.178 1.525 864 HA3 GLY 114 2HA GLY 114 1.277 -12.476 -0.021 865 H MET 115 H MET 115 2.413 -14.391 -1.432 866 HA MET 115 HA MET 115 0.292 -16.010 -2.270 867 HB2 MET 115 1HB MET 115 3.234 -15.974 -2.823 868 HB3 MET 115 2HB MET 115 2.261 -17.314 -3.416 869 HG2 MET 115 1HG MET 115 1.456 -14.489 -3.967 870 HG3 MET 115 2HG MET 115 2.687 -15.285 -4.945 871 HE1 MET 115 1HE MET 115 -0.190 -15.571 -7.466 872 HE2 MET 115 2HE MET 115 0.433 -14.206 -6.539 873 HE3 MET 115 3HE MET 115 1.550 -15.363 -7.263 874 H LYS 116 H LYS 116 -0.611 -17.380 -0.828 875 HA LYS 116 HA LYS 116 1.043 -19.062 0.860 876 HB2 LYS 116 1HB LYS 116 -1.275 -17.927 1.402 877 HB3 LYS 116 2HB LYS 116 -1.923 -19.379 0.651 878 HG2 LYS 116 1HG LYS 116 0.123 -19.604 2.814 879 HG3 LYS 116 2HG LYS 116 -1.568 -19.300 3.216 880 HD2 LYS 116 1HD LYS 116 -2.253 -21.361 2.490 881 HD3 LYS 116 2HD LYS 116 -0.951 -21.495 1.305 882 HE2 LYS 116 1HE LYS 116 -0.496 -21.614 4.279 883 HE3 LYS 116 2HE LYS 116 -0.803 -23.044 3.295 884 HZ1 LYS 116 1HZ LYS 116 1.166 -21.843 1.926 885 HZ2 LYS 116 2HZ LYS 116 1.409 -23.061 3.073 886 HZ3 LYS 116 3HZ LYS 116 1.587 -21.437 3.513 887 H ARG 117 H ARG 117 2.077 -20.284 -0.814 888 HA ARG 117 HA ARG 117 1.006 -21.708 -2.858 889 HB2 ARG 117 1HB ARG 117 2.799 -23.377 -2.514 890 HB3 ARG 117 2HB ARG 117 3.386 -21.723 -2.400 891 HG2 ARG 117 1HG ARG 117 2.939 -22.110 0.171 892 HG3 ARG 117 2HG ARG 117 3.136 -23.800 -0.296 893 HD2 ARG 117 1HD ARG 117 5.265 -22.904 -1.521 894 HD3 ARG 117 2HD ARG 117 5.105 -21.558 -0.393 895 HE ARG 117 HE ARG 117 4.954 -23.973 1.032 896 HH11 ARG 117 2HH1 ARG 117 7.246 -22.043 -0.741 897 HH12 ARG 117 1HH1 ARG 117 8.614 -22.601 0.165 898 HH21 ARG 117 2HH2 ARG 117 6.747 -24.715 2.232 899 HH22 ARG 117 1HH2 ARG 117 8.328 -24.122 1.855 900 H VAL 118 H VAL 118 0.382 -23.964 -3.095 901 HA VAL 118 HA VAL 118 -1.144 -24.922 -0.763 902 HB VAL 118 HB VAL 118 -1.722 -25.346 -3.698 903 HG11 VAL 118 1HG1 VAL 118 -2.352 -27.298 -2.406 904 HG12 VAL 118 2HG1 VAL 118 -3.223 -26.283 -1.255 905 HG13 VAL 118 3HG1 VAL 118 -3.793 -26.421 -2.918 906 HG21 VAL 118 1HG2 VAL 118 -2.971 -23.511 -3.621 907 HG22 VAL 118 2HG2 VAL 118 -3.825 -24.101 -2.195 908 HG23 VAL 118 3HG2 VAL 118 -2.329 -23.186 -2.011 909 H SER 119 H SER 119 -0.005 -26.495 0.183 910 HA SER 119 HA SER 119 1.838 -28.172 -1.168 911 HB2 SER 119 1HB SER 119 0.537 -28.491 1.548 912 HB3 SER 119 2HB SER 119 1.906 -29.439 0.966 913 HG SER 119 HG SER 119 2.097 -26.651 0.891 914 H GLY 120 H GLY 120 1.711 -30.404 -1.617 915 HA2 GLY 120 1HA GLY 120 -0.334 -31.374 -3.055 916 HA3 GLY 120 2HA GLY 120 0.666 -32.429 -2.068 917 HA PRO 121 HA PRO 121 -3.881 -31.967 -0.528 918 HB2 PRO 121 1HB PRO 121 -5.145 -33.875 -1.988 919 HB3 PRO 121 2HB PRO 121 -5.060 -32.182 -2.488 920 HG2 PRO 121 1HG PRO 121 -3.401 -34.507 -3.384 921 HG3 PRO 121 2HG PRO 121 -4.114 -33.203 -4.351 922 HD2 PRO 121 1HD PRO 121 -1.505 -33.219 -3.624 923 HD3 PRO 121 2HD PRO 121 -2.434 -31.718 -3.817 924 H SER 122 H SER 122 -5.259 -33.966 0.261 925 HA SER 122 HA SER 122 -3.524 -35.521 1.901 926 HB2 SER 122 1HB SER 122 -6.512 -35.554 1.463 927 HB3 SER 122 2HB SER 122 -5.704 -36.654 2.580 928 HG SER 122 HG SER 122 -6.546 -34.350 3.212 929 H SER 123 H SER 123 -4.079 -37.983 2.104 930 HA SER 123 HA SER 123 -3.491 -39.138 -0.507 931 HB2 SER 123 1HB SER 123 -2.216 -39.615 1.720 932 HB3 SER 123 2HB SER 123 -3.560 -40.707 2.053 933 HG SER 123 HG SER 123 -1.477 -40.973 0.295 934 H GLY 124 H GLY 124 -4.920 -40.249 -1.674 935 HA2 GLY 124 1HA GLY 124 -7.501 -40.907 -0.413 936 HA3 GLY 124 2HA GLY 124 -7.257 -40.622 -2.129 Start of MODEL 13 1 H1 GLY 1 H GLY 1 14.811 3.925 -30.531 2 HA2 GLY 1 1HA GLY 1 13.027 1.860 -30.991 3 HA3 GLY 1 2HA GLY 1 14.013 1.344 -29.631 4 H SER 2 H SER 2 11.153 1.960 -29.733 5 HA SER 2 HA SER 2 11.009 4.345 -28.029 6 HB2 SER 2 1HB SER 2 8.528 4.132 -28.392 7 HB3 SER 2 2HB SER 2 9.455 4.420 -29.865 8 HG SER 2 HG SER 2 7.947 2.252 -29.135 9 H SER 3 H SER 3 10.061 0.935 -28.140 10 HA SER 3 HA SER 3 9.818 0.997 -25.205 11 HB2 SER 3 1HB SER 3 7.662 0.670 -26.703 12 HB3 SER 3 2HB SER 3 8.252 -0.989 -26.801 13 HG SER 3 HG SER 3 7.453 -1.265 -24.890 14 H GLY 4 H GLY 4 10.936 -0.510 -24.103 15 HA2 GLY 4 1HA GLY 4 11.576 -3.081 -24.833 16 HA3 GLY 4 2HA GLY 4 12.864 -2.092 -25.506 17 H SER 5 H SER 5 13.740 -3.861 -23.804 18 HA SER 5 HA SER 5 14.865 -4.216 -21.858 19 HB2 SER 5 1HB SER 5 14.940 -1.220 -22.100 20 HB3 SER 5 2HB SER 5 15.665 -2.028 -20.710 21 HG SER 5 HG SER 5 17.112 -1.656 -22.514 22 H SER 6 H SER 6 12.106 -4.420 -21.642 23 HA SER 6 HA SER 6 11.467 -3.147 -19.073 24 HB2 SER 6 1HB SER 6 9.714 -4.456 -21.160 25 HB3 SER 6 2HB SER 6 9.120 -3.937 -19.582 26 HG SER 6 HG SER 6 10.283 -1.846 -20.370 27 H GLY 7 H GLY 7 10.542 -4.406 -17.367 28 HA2 GLY 7 1HA GLY 7 11.092 -7.298 -17.556 29 HA3 GLY 7 2HA GLY 7 11.679 -6.361 -16.190 30 H ASN 8 H ASN 8 10.524 -7.525 -14.663 31 HA ASN 8 HA ASN 8 7.644 -7.747 -14.908 32 HB2 ASN 8 1HB ASN 8 9.249 -8.461 -12.463 33 HB3 ASN 8 2HB ASN 8 7.720 -9.144 -13.010 34 HD21 ASN 8 1HD2 ASN 8 10.188 -10.494 -12.314 35 HD22 ASN 8 2HD2 ASN 8 10.666 -11.388 -13.713 36 H ASP 9 H ASP 9 6.892 -5.636 -14.826 37 HA ASP 9 HA ASP 9 7.282 -4.255 -12.251 38 HB2 ASP 9 1HB ASP 9 6.502 -2.891 -14.823 39 HB3 ASP 9 2HB ASP 9 7.104 -2.157 -13.340 40 H ASP 10 H ASP 10 4.963 -4.502 -14.950 41 HA ASP 10 HA ASP 10 2.741 -3.552 -13.533 42 HB2 ASP 10 1HB ASP 10 2.468 -5.596 -15.714 43 HB3 ASP 10 2HB ASP 10 1.453 -4.198 -15.371 44 H ILE 11 H ILE 11 3.887 -6.865 -14.078 45 HA ILE 11 HA ILE 11 1.896 -8.376 -13.028 46 HB ILE 11 HB ILE 11 4.839 -8.751 -12.460 47 HG12 ILE 11 1HG1 ILE 11 3.171 -10.051 -14.614 48 HG13 ILE 11 2HG1 ILE 11 4.091 -8.575 -14.886 49 HG21 ILE 11 1HG2 ILE 11 2.830 -10.960 -12.570 50 HG22 ILE 11 2HG2 ILE 11 4.409 -10.920 -11.788 51 HG23 ILE 11 3HG2 ILE 11 3.053 -10.038 -11.084 52 HD11 ILE 11 1HD1 ILE 11 5.123 -10.836 -15.542 53 HD12 ILE 11 2HD1 ILE 11 6.124 -9.661 -14.688 54 HD13 ILE 11 3HD1 ILE 11 5.425 -11.024 -13.815 55 H ILE 12 H ILE 12 4.573 -7.074 -11.056 56 HA ILE 12 HA ILE 12 3.632 -7.811 -8.568 57 HB ILE 12 HB ILE 12 5.151 -5.294 -9.262 58 HG12 ILE 12 1HG1 ILE 12 6.210 -7.945 -8.269 59 HG13 ILE 12 2HG1 ILE 12 6.175 -7.488 -9.969 60 HG21 ILE 12 1HG2 ILE 12 5.170 -6.697 -6.611 61 HG22 ILE 12 2HG2 ILE 12 5.716 -5.068 -7.005 62 HG23 ILE 12 3HG2 ILE 12 3.992 -5.439 -6.985 63 HD11 ILE 12 1HD1 ILE 12 7.723 -5.735 -9.616 64 HD12 ILE 12 2HD1 ILE 12 7.589 -5.881 -7.863 65 HD13 ILE 12 3HD1 ILE 12 8.362 -7.160 -8.798 66 H VAL 13 H VAL 13 3.065 -4.727 -10.259 67 HA VAL 13 HA VAL 13 1.508 -3.448 -8.381 68 HB VAL 13 HB VAL 13 1.145 -3.374 -11.380 69 HG11 VAL 13 1HG1 VAL 13 -0.663 -2.432 -9.695 70 HG12 VAL 13 2HG1 VAL 13 0.469 -1.080 -9.614 71 HG13 VAL 13 3HG1 VAL 13 -0.225 -1.560 -11.163 72 HG21 VAL 13 1HG2 VAL 13 2.451 -1.087 -10.236 73 HG22 VAL 13 2HG2 VAL 13 3.313 -2.561 -9.795 74 HG23 VAL 13 3HG2 VAL 13 3.020 -2.185 -11.493 75 H ASN 14 H ASN 14 0.436 -5.699 -10.914 76 HA ASN 14 HA ASN 14 -2.293 -5.590 -10.506 77 HB2 ASN 14 1HB ASN 14 -0.419 -7.666 -11.527 78 HB3 ASN 14 2HB ASN 14 -2.059 -8.176 -11.138 79 HD21 ASN 14 1HD2 ASN 14 -0.277 -5.685 -12.910 80 HD22 ASN 14 2HD2 ASN 14 -1.411 -5.550 -14.206 81 H TRP 15 H TRP 15 0.087 -7.645 -8.856 82 HA TRP 15 HA TRP 15 -1.748 -9.017 -7.222 83 HB2 TRP 15 1HB TRP 15 0.622 -9.706 -7.638 84 HB3 TRP 15 2HB TRP 15 1.143 -8.393 -6.587 85 HD1 TRP 15 HD TRP 15 -0.445 -11.857 -6.490 86 HE1 TRP 15 1HE TRP 15 -0.448 -12.702 -4.059 87 HE3 TRP 15 3HE TRP 15 1.070 -7.577 -4.141 88 HZ2 TRP 15 2HZ TRP 15 0.117 -11.689 -1.486 89 HZ3 TRP 15 3HZ TRP 15 1.313 -7.598 -1.692 90 HH2 TRP 15 HH TRP 15 0.845 -9.612 -0.394 91 H VAL 16 H VAL 16 0.048 -6.011 -6.754 92 HA VAL 16 HA VAL 16 -0.471 -5.543 -4.073 93 HB VAL 16 HB VAL 16 -0.292 -3.530 -6.318 94 HG11 VAL 16 1HG1 VAL 16 -0.302 -3.186 -3.331 95 HG12 VAL 16 2HG1 VAL 16 0.386 -1.982 -4.423 96 HG13 VAL 16 3HG1 VAL 16 -1.326 -2.396 -4.530 97 HG21 VAL 16 1HG2 VAL 16 1.726 -4.763 -6.216 98 HG22 VAL 16 2HG2 VAL 16 2.035 -3.246 -5.370 99 HG23 VAL 16 3HG2 VAL 16 1.746 -4.724 -4.453 100 H ASN 17 H ASN 17 -2.533 -5.052 -6.876 101 HA ASN 17 HA ASN 17 -4.581 -3.694 -5.364 102 HB2 ASN 17 1HB ASN 17 -4.195 -4.514 -8.199 103 HB3 ASN 17 2HB ASN 17 -5.850 -4.293 -7.639 104 HD21 ASN 17 1HD2 ASN 17 -2.707 -2.661 -7.386 105 HD22 ASN 17 2HD2 ASN 17 -3.322 -1.070 -7.660 106 H ARG 18 H ARG 18 -4.150 -6.898 -6.823 107 HA ARG 18 HA ARG 18 -6.615 -8.015 -6.317 108 HB2 ARG 18 1HB ARG 18 -4.709 -9.090 -7.544 109 HB3 ARG 18 2HB ARG 18 -3.977 -9.449 -5.986 110 HG2 ARG 18 1HG ARG 18 -5.032 -11.424 -6.410 111 HG3 ARG 18 2HG ARG 18 -6.300 -10.580 -5.518 112 HD2 ARG 18 1HD ARG 18 -7.344 -9.910 -7.616 113 HD3 ARG 18 2HD ARG 18 -6.061 -10.711 -8.522 114 HE ARG 18 HE ARG 18 -7.027 -12.720 -7.037 115 HH11 ARG 18 2HH1 ARG 18 -8.606 -10.326 -9.011 116 HH12 ARG 18 1HH1 ARG 18 -9.938 -11.354 -9.421 117 HH21 ARG 18 2HH2 ARG 18 -8.776 -14.083 -7.570 118 HH22 ARG 18 1HH2 ARG 18 -10.035 -13.491 -8.601 119 H THR 19 H THR 19 -3.788 -8.032 -4.149 120 HA THR 19 HA THR 19 -4.954 -9.368 -2.005 121 HB THR 19 HB THR 19 -2.893 -7.164 -1.804 122 HG1 THR 19 1HG THR 19 -2.041 -8.659 -3.183 123 HG21 THR 19 1HG2 THR 19 -3.306 -7.580 0.390 124 HG22 THR 19 2HG2 THR 19 -2.230 -8.945 0.092 125 HG23 THR 19 3HG2 THR 19 -3.977 -9.179 0.071 126 H LEU 20 H LEU 20 -4.966 -5.924 -2.809 127 HA LEU 20 HA LEU 20 -6.175 -4.998 -0.447 128 HB2 LEU 20 1HB LEU 20 -6.202 -3.902 -3.251 129 HB3 LEU 20 2HB LEU 20 -6.861 -3.044 -1.861 130 HG LEU 20 HG LEU 20 -3.988 -3.918 -1.966 131 HD11 LEU 20 1HD1 LEU 20 -5.198 -2.044 -3.691 132 HD12 LEU 20 2HD1 LEU 20 -3.479 -2.363 -3.458 133 HD13 LEU 20 3HD1 LEU 20 -4.286 -1.131 -2.488 134 HD21 LEU 20 1HD2 LEU 20 -5.484 -2.953 0.082 135 HD22 LEU 20 2HD2 LEU 20 -4.820 -1.463 -0.588 136 HD23 LEU 20 3HD2 LEU 20 -3.738 -2.753 -0.062 137 H SER 21 H SER 21 -7.547 -6.128 -3.504 138 HA SER 21 HA SER 21 -10.247 -5.549 -2.799 139 HB2 SER 21 1HB SER 21 -9.417 -5.800 -5.150 140 HB3 SER 21 2HB SER 21 -9.256 -7.531 -4.859 141 HG SER 21 HG SER 21 -11.387 -6.295 -5.679 142 H GLU 22 H GLU 22 -8.210 -8.430 -2.633 143 HA GLU 22 HA GLU 22 -9.964 -10.418 -2.061 144 HB2 GLU 22 1HB GLU 22 -7.222 -9.801 -1.072 145 HB3 GLU 22 2HB GLU 22 -8.107 -11.099 -0.282 146 HG2 GLU 22 1HG GLU 22 -8.508 -11.905 -2.740 147 HG3 GLU 22 2HG GLU 22 -7.081 -10.924 -3.069 148 H ALA 23 H ALA 23 -8.854 -7.916 0.178 149 HA ALA 23 HA ALA 23 -10.577 -8.951 2.288 150 HB1 ALA 23 1HB ALA 23 -8.273 -7.149 2.149 151 HB2 ALA 23 2HB ALA 23 -9.526 -6.644 3.284 152 HB3 ALA 23 3HB ALA 23 -8.788 -8.239 3.436 153 H GLY 24 H GLY 24 -10.292 -6.143 0.165 154 HA2 GLY 24 1HA GLY 24 -12.354 -5.137 -0.649 155 HA3 GLY 24 2HA GLY 24 -13.039 -5.400 0.948 156 H LYS 25 H LYS 25 -10.035 -3.905 -0.261 157 HA LYS 25 HA LYS 25 -10.461 -1.687 1.595 158 HB2 LYS 25 1HB LYS 25 -8.061 -2.353 -0.120 159 HB3 LYS 25 2HB LYS 25 -8.138 -1.078 1.089 160 HG2 LYS 25 1HG LYS 25 -8.566 -3.976 1.754 161 HG3 LYS 25 2HG LYS 25 -6.978 -3.207 1.778 162 HD2 LYS 25 1HD LYS 25 -7.467 -1.943 3.621 163 HD3 LYS 25 2HD LYS 25 -9.193 -1.885 3.257 164 HE2 LYS 25 1HE LYS 25 -7.972 -4.506 3.967 165 HE3 LYS 25 2HE LYS 25 -8.252 -3.332 5.252 166 HZ1 LYS 25 1HZ LYS 25 -10.489 -3.703 3.468 167 HZ2 LYS 25 2HZ LYS 25 -10.451 -3.640 5.158 168 HZ3 LYS 25 3HZ LYS 25 -10.081 -5.083 4.357 169 H SER 26 H SER 26 -9.978 0.528 0.821 170 HA SER 26 HA SER 26 -11.056 0.912 -1.892 171 HB2 SER 26 1HB SER 26 -12.301 1.796 0.212 172 HB3 SER 26 2HB SER 26 -11.058 3.046 0.226 173 HG SER 26 HG SER 26 -12.958 3.624 -0.972 174 H THR 27 H THR 27 -8.274 0.419 -1.334 175 HA THR 27 HA THR 27 -7.157 2.954 -2.328 176 HB THR 27 HB THR 27 -5.027 2.385 -1.116 177 HG1 THR 27 1HG THR 27 -6.065 0.119 -0.698 178 HG21 THR 27 1HG2 THR 27 -5.641 3.625 0.698 179 HG22 THR 27 2HG2 THR 27 -7.101 2.679 0.988 180 HG23 THR 27 3HG2 THR 27 -7.072 3.885 -0.299 181 H SER 28 H SER 28 -5.248 2.727 -3.646 182 HA SER 28 HA SER 28 -4.237 0.220 -4.473 183 HB2 SER 28 1HB SER 28 -5.161 0.152 -6.759 184 HB3 SER 28 2HB SER 28 -6.431 -0.005 -5.546 185 HG SER 28 HG SER 28 -6.469 1.654 -7.478 186 H ILE 29 H ILE 29 -2.711 0.421 -6.281 187 HA ILE 29 HA ILE 29 -1.850 3.196 -6.751 188 HB ILE 29 HB ILE 29 0.528 2.277 -6.718 189 HG12 ILE 29 1HG1 ILE 29 -0.493 0.175 -4.858 190 HG13 ILE 29 2HG1 ILE 29 -0.544 -0.145 -6.589 191 HG21 ILE 29 1HG2 ILE 29 0.060 2.055 -3.973 192 HG22 ILE 29 2HG2 ILE 29 0.486 3.511 -4.872 193 HG23 ILE 29 3HG2 ILE 29 -1.208 3.118 -4.583 194 HD11 ILE 29 1HD1 ILE 29 1.477 -1.053 -5.887 195 HD12 ILE 29 2HD1 ILE 29 1.929 0.502 -6.586 196 HD13 ILE 29 3HD1 ILE 29 1.835 0.315 -4.835 197 H GLN 30 H GLN 30 -1.188 3.675 -8.786 198 HA GLN 30 HA GLN 30 -1.785 1.781 -10.858 199 HB2 GLN 30 1HB GLN 30 -0.936 4.646 -10.767 200 HB3 GLN 30 2HB GLN 30 -0.774 3.758 -12.277 201 HG2 GLN 30 1HG GLN 30 -3.157 3.238 -12.233 202 HG3 GLN 30 2HG GLN 30 -3.321 4.121 -10.715 203 HE21 GLN 30 1HE2 GLN 30 -1.987 4.621 -13.968 204 HE22 GLN 30 2HE2 GLN 30 -2.609 6.221 -14.162 205 H SER 31 H SER 31 1.131 3.232 -9.504 206 HA SER 31 HA SER 31 2.737 1.040 -10.393 207 HB2 SER 31 1HB SER 31 4.066 2.047 -12.023 208 HB3 SER 31 2HB SER 31 2.463 2.670 -12.415 209 HG SER 31 HG SER 31 3.704 4.449 -12.368 210 H PHE 32 H PHE 32 5.164 1.611 -9.959 211 HA PHE 32 HA PHE 32 5.318 2.406 -7.225 212 HB2 PHE 32 1HB PHE 32 7.698 2.052 -9.032 213 HB3 PHE 32 2HB PHE 32 7.575 1.737 -7.304 214 HD1 PHE 32 1HD PHE 32 6.084 -0.187 -6.554 215 HD2 PHE 32 2HD PHE 32 7.368 0.346 -10.577 216 HE1 PHE 32 1HE PHE 32 5.601 -2.554 -7.018 217 HE2 PHE 32 2HE PHE 32 6.886 -2.020 -11.048 218 HZ PHE 32 HZ PHE 32 6.000 -3.473 -9.268 219 H LYS 33 H LYS 33 5.025 4.230 -9.914 220 HA LYS 33 HA LYS 33 6.796 6.371 -8.957 221 HB2 LYS 33 1HB LYS 33 5.542 5.764 -11.615 222 HB3 LYS 33 2HB LYS 33 6.059 7.402 -11.238 223 HG2 LYS 33 1HG LYS 33 8.323 6.362 -10.666 224 HG3 LYS 33 2HG LYS 33 7.726 4.926 -11.502 225 HD2 LYS 33 1HD LYS 33 7.649 7.639 -12.786 226 HD3 LYS 33 2HD LYS 33 9.093 6.626 -12.855 227 HE2 LYS 33 1HE LYS 33 6.350 5.768 -13.769 228 HE3 LYS 33 2HE LYS 33 7.607 6.396 -14.834 229 HZ1 LYS 33 1HZ LYS 33 9.031 4.529 -13.944 230 HZ2 LYS 33 2HZ LYS 33 7.762 4.077 -14.967 231 HZ3 LYS 33 3HZ LYS 33 7.615 3.869 -13.294 232 H ASP 34 H ASP 34 3.468 5.498 -9.463 233 HA ASP 34 HA ASP 34 2.056 7.779 -9.567 234 HB2 ASP 34 1HB ASP 34 1.323 5.296 -9.062 235 HB3 ASP 34 2HB ASP 34 1.281 5.872 -7.398 236 H LYS 35 H LYS 35 1.234 9.330 -8.113 237 HA LYS 35 HA LYS 35 3.079 9.956 -5.943 238 HB2 LYS 35 1HB LYS 35 0.804 11.621 -7.032 239 HB3 LYS 35 2HB LYS 35 2.090 12.166 -5.964 240 HG2 LYS 35 1HG LYS 35 2.821 11.010 -8.605 241 HG3 LYS 35 2HG LYS 35 2.165 12.647 -8.539 242 HD2 LYS 35 1HD LYS 35 3.982 13.477 -7.425 243 HD3 LYS 35 2HD LYS 35 4.339 11.937 -6.639 244 HE2 LYS 35 1HE LYS 35 6.076 12.155 -8.160 245 HE3 LYS 35 2HE LYS 35 4.931 11.126 -9.019 246 HZ1 LYS 35 1HZ LYS 35 4.104 13.510 -9.816 247 HZ2 LYS 35 2HZ LYS 35 5.294 12.633 -10.638 248 HZ3 LYS 35 3HZ LYS 35 5.739 13.866 -9.569 249 H THR 36 H THR 36 1.016 7.815 -5.770 250 HA THR 36 HA THR 36 -0.689 8.885 -3.631 251 HB THR 36 HB THR 36 -1.979 6.785 -3.851 252 HG1 THR 36 1HG THR 36 0.053 5.762 -4.902 253 HG21 THR 36 1HG2 THR 36 -1.748 8.879 -5.822 254 HG22 THR 36 2HG2 THR 36 -3.191 8.057 -5.226 255 HG23 THR 36 3HG2 THR 36 -2.278 7.373 -6.570 256 H ILE 37 H ILE 37 1.905 6.669 -4.288 257 HA ILE 37 HA ILE 37 1.751 5.087 -1.965 258 HB ILE 37 HB ILE 37 4.250 5.838 -3.485 259 HG12 ILE 37 1HG1 ILE 37 2.673 3.322 -3.922 260 HG13 ILE 37 2HG1 ILE 37 2.216 4.803 -4.756 261 HG21 ILE 37 1HG2 ILE 37 4.119 3.172 -2.367 262 HG22 ILE 37 2HG2 ILE 37 5.360 4.411 -2.188 263 HG23 ILE 37 3HG2 ILE 37 3.953 4.413 -1.125 264 HD11 ILE 37 1HD1 ILE 37 4.949 4.599 -5.161 265 HD12 ILE 37 2HD1 ILE 37 4.346 2.949 -5.324 266 HD13 ILE 37 3HD1 ILE 37 3.673 4.237 -6.322 267 H SER 38 H SER 38 3.124 8.248 -2.582 268 HA SER 38 HA SER 38 4.834 8.602 -0.470 269 HB2 SER 38 1HB SER 38 4.283 11.001 -0.582 270 HB3 SER 38 2HB SER 38 4.457 10.308 -2.194 271 HG SER 38 HG SER 38 1.985 9.998 -1.790 272 H SER 39 H SER 39 1.316 8.672 -0.442 273 HA SER 39 HA SER 39 1.092 9.574 2.259 274 HB2 SER 39 1HB SER 39 -1.243 9.264 2.013 275 HB3 SER 39 2HB SER 39 -0.678 9.750 0.414 276 HG SER 39 HG SER 39 -1.087 7.800 -0.343 277 H SER 40 H SER 40 1.573 6.513 0.737 278 HA SER 40 HA SER 40 1.897 4.414 1.551 279 HB2 SER 40 1HB SER 40 2.065 5.710 4.279 280 HB3 SER 40 2HB SER 40 2.749 4.161 3.789 281 HG SER 40 HG SER 40 3.835 5.699 2.125 282 H LEU 41 H LEU 41 -0.798 5.637 1.424 283 HA LEU 41 HA LEU 41 -2.266 4.446 3.613 284 HB2 LEU 41 1HB LEU 41 -3.211 5.788 1.085 285 HB3 LEU 41 2HB LEU 41 -4.254 5.267 2.406 286 HG LEU 41 HG LEU 41 -2.096 7.358 2.665 287 HD11 LEU 41 1HD1 LEU 41 -3.510 8.925 1.960 288 HD12 LEU 41 2HD1 LEU 41 -4.842 8.257 2.902 289 HD13 LEU 41 3HD1 LEU 41 -4.486 7.612 1.300 290 HD21 LEU 41 1HD2 LEU 41 -4.395 6.731 4.506 291 HD22 LEU 41 2HD2 LEU 41 -3.038 7.820 4.799 292 HD23 LEU 41 3HD2 LEU 41 -2.770 6.078 4.717 293 H ALA 42 H ALA 42 -1.518 3.728 0.270 294 HA ALA 42 HA ALA 42 -3.373 1.524 0.110 295 HB1 ALA 42 1HB ALA 42 -2.813 2.849 -1.875 296 HB2 ALA 42 2HB ALA 42 -1.140 2.302 -1.762 297 HB3 ALA 42 3HB ALA 42 -2.425 1.142 -2.096 298 H VAL 43 H VAL 43 0.078 1.969 0.655 299 HA VAL 43 HA VAL 43 0.924 -0.680 0.413 300 HB VAL 43 HB VAL 43 1.985 1.477 2.243 301 HG11 VAL 43 1HG1 VAL 43 4.001 -0.348 1.473 302 HG12 VAL 43 2HG1 VAL 43 3.369 -0.038 3.091 303 HG13 VAL 43 3HG1 VAL 43 2.643 -1.292 2.084 304 HG21 VAL 43 1HG2 VAL 43 3.120 2.318 0.500 305 HG22 VAL 43 2HG2 VAL 43 3.497 0.722 -0.149 306 HG23 VAL 43 3HG2 VAL 43 1.932 1.463 -0.485 307 H VAL 44 H VAL 44 -0.205 1.081 3.290 308 HA VAL 44 HA VAL 44 0.079 -1.042 5.111 309 HB VAL 44 HB VAL 44 -1.862 1.272 5.200 310 HG11 VAL 44 1HG1 VAL 44 -2.388 -0.705 6.678 311 HG12 VAL 44 2HG1 VAL 44 -0.870 -0.375 7.515 312 HG13 VAL 44 3HG1 VAL 44 -2.155 0.833 7.509 313 HG21 VAL 44 1HG2 VAL 44 0.677 1.105 6.764 314 HG22 VAL 44 2HG2 VAL 44 0.717 1.639 5.084 315 HG23 VAL 44 3HG2 VAL 44 -0.244 2.525 6.268 316 H ASP 45 H ASP 45 -2.794 0.103 3.344 317 HA ASP 45 HA ASP 45 -4.673 -1.667 4.275 318 HB2 ASP 45 1HB ASP 45 -4.289 -0.374 1.592 319 HB3 ASP 45 2HB ASP 45 -5.623 -1.493 1.859 320 H LEU 46 H LEU 46 -2.005 -2.288 2.144 321 HA LEU 46 HA LEU 46 -2.947 -4.753 1.082 322 HB2 LEU 46 1HB LEU 46 -1.168 -3.372 0.055 323 HB3 LEU 46 2HB LEU 46 -0.107 -3.792 1.398 324 HG LEU 46 HG LEU 46 -0.644 -6.253 0.586 325 HD11 LEU 46 1HD1 LEU 46 -1.016 -6.478 -1.726 326 HD12 LEU 46 2HD1 LEU 46 -0.788 -4.753 -2.014 327 HD13 LEU 46 3HD1 LEU 46 -2.225 -5.323 -1.165 328 HD21 LEU 46 1HD2 LEU 46 1.438 -4.338 0.121 329 HD22 LEU 46 2HD2 LEU 46 1.280 -5.404 -1.275 330 HD23 LEU 46 3HD2 LEU 46 1.554 -6.085 0.330 331 H ILE 47 H ILE 47 -0.880 -3.895 3.824 332 HA ILE 47 HA ILE 47 -0.071 -6.443 4.587 333 HB ILE 47 HB ILE 47 -0.667 -4.064 6.348 334 HG12 ILE 47 1HG1 ILE 47 2.063 -5.008 5.543 335 HG13 ILE 47 2HG1 ILE 47 1.125 -4.010 4.437 336 HG21 ILE 47 1HG2 ILE 47 -0.528 -5.644 7.961 337 HG22 ILE 47 2HG2 ILE 47 0.359 -6.770 6.935 338 HG23 ILE 47 3HG2 ILE 47 1.202 -5.424 7.702 339 HD11 ILE 47 1HD1 ILE 47 2.158 -3.310 7.160 340 HD12 ILE 47 2HD1 ILE 47 2.487 -2.522 5.616 341 HD13 ILE 47 3HD1 ILE 47 0.896 -2.372 6.363 342 H ASP 48 H ASP 48 -2.723 -4.580 6.083 343 HA ASP 48 HA ASP 48 -3.814 -6.480 7.689 344 HB2 ASP 48 1HB ASP 48 -6.096 -5.349 6.888 345 HB3 ASP 48 2HB ASP 48 -4.941 -4.503 7.914 346 H ALA 49 H ALA 49 -4.657 -5.992 4.262 347 HA ALA 49 HA ALA 49 -6.550 -7.904 3.879 348 HB1 ALA 49 1HB ALA 49 -6.261 -7.055 1.844 349 HB2 ALA 49 2HB ALA 49 -4.606 -6.564 2.209 350 HB3 ALA 49 3HB ALA 49 -4.935 -8.200 1.640 351 H ILE 50 H ILE 50 -3.040 -8.437 3.929 352 HA ILE 50 HA ILE 50 -3.259 -11.254 3.479 353 HB ILE 50 HB ILE 50 -0.904 -9.734 4.600 354 HG12 ILE 50 1HG1 ILE 50 -1.124 -10.543 1.731 355 HG13 ILE 50 2HG1 ILE 50 -1.963 -9.090 2.265 356 HG21 ILE 50 1HG2 ILE 50 -1.382 -12.507 4.094 357 HG22 ILE 50 2HG2 ILE 50 -0.114 -11.922 3.019 358 HG23 ILE 50 3HG2 ILE 50 0.052 -11.729 4.764 359 HD11 ILE 50 1HD1 ILE 50 0.275 -8.350 3.216 360 HD12 ILE 50 2HD1 ILE 50 0.978 -9.653 2.257 361 HD13 ILE 50 3HD1 ILE 50 0.098 -8.349 1.461 362 H GLN 51 H GLN 51 -2.373 -9.302 6.328 363 HA GLN 51 HA GLN 51 -3.353 -11.499 8.020 364 HB2 GLN 51 1HB GLN 51 -1.020 -11.714 8.229 365 HB3 GLN 51 2HB GLN 51 -0.773 -9.973 8.249 366 HG2 GLN 51 1HG GLN 51 -1.304 -9.779 10.457 367 HG3 GLN 51 2HG GLN 51 -2.365 -11.186 10.440 368 HE21 GLN 51 1HE2 GLN 51 -0.812 -11.102 12.518 369 HE22 GLN 51 2HE2 GLN 51 0.532 -12.180 12.393 370 HA PRO 52 HA PRO 52 -5.544 -7.618 9.153 371 HB2 PRO 52 1HB PRO 52 -7.899 -8.857 9.686 372 HB3 PRO 52 2HB PRO 52 -7.424 -8.357 8.059 373 HG2 PRO 52 1HG PRO 52 -7.262 -11.061 9.333 374 HG3 PRO 52 2HG PRO 52 -7.787 -10.625 7.696 375 HD2 PRO 52 1HD PRO 52 -5.318 -11.603 8.221 376 HD3 PRO 52 2HD PRO 52 -5.627 -10.439 6.916 377 H GLY 53 H GLY 53 -6.670 -7.065 11.191 378 HA2 GLY 53 1HA GLY 53 -7.132 -7.380 13.471 379 HA3 GLY 53 2HA GLY 53 -6.289 -8.921 13.406 380 H CYS 54 H CYS 54 -3.986 -7.569 12.022 381 HA CYS 54 HA CYS 54 -2.658 -6.702 14.463 382 HB2 CYS 54 1HB CYS 54 -0.614 -7.097 13.350 383 HB3 CYS 54 2HB CYS 54 -1.678 -8.391 12.813 384 HG CYS 54 HG CYS 54 -2.193 -7.290 10.322 385 H ILE 55 H ILE 55 -3.684 -5.439 11.366 386 HA ILE 55 HA ILE 55 -2.267 -2.958 11.611 387 HB ILE 55 HB ILE 55 -4.558 -3.732 9.803 388 HG12 ILE 55 1HG1 ILE 55 -2.241 -4.890 9.637 389 HG13 ILE 55 2HG1 ILE 55 -2.974 -4.255 8.168 390 HG21 ILE 55 1HG2 ILE 55 -4.742 -1.554 9.383 391 HG22 ILE 55 2HG2 ILE 55 -3.296 -1.179 10.319 392 HG23 ILE 55 3HG2 ILE 55 -3.152 -1.654 8.627 393 HD11 ILE 55 1HD1 ILE 55 -1.404 -2.651 7.920 394 HD12 ILE 55 2HD1 ILE 55 -1.180 -2.443 9.657 395 HD13 ILE 55 3HD1 ILE 55 -0.440 -3.813 8.830 396 H ASN 56 H ASN 56 -2.926 -1.068 12.466 397 HA ASN 56 HA ASN 56 -5.682 -0.917 13.494 398 HB2 ASN 56 1HB ASN 56 -3.671 -1.227 15.170 399 HB3 ASN 56 2HB ASN 56 -3.450 0.499 14.896 400 HD21 ASN 56 1HD2 ASN 56 -3.931 0.031 17.356 401 HD22 ASN 56 2HD2 ASN 56 -5.572 0.320 17.813 402 H TYR 57 H TYR 57 -6.344 0.262 11.667 403 HA TYR 57 HA TYR 57 -5.117 2.455 10.527 404 HB2 TYR 57 1HB TYR 57 -8.052 1.831 10.871 405 HB3 TYR 57 2HB TYR 57 -7.463 3.173 9.895 406 HD1 TYR 57 2HD TYR 57 -5.278 2.185 8.386 407 HD2 TYR 57 1HD TYR 57 -8.816 0.119 9.534 408 HE1 TYR 57 2HE TYR 57 -5.014 0.675 6.462 409 HE2 TYR 57 1HE TYR 57 -8.561 -1.398 7.615 410 HH TYR 57 HH TYR 57 -6.285 -0.808 5.097 411 H ASP 58 H ASP 58 -7.198 2.314 13.374 412 HA ASP 58 HA ASP 58 -7.835 4.859 13.929 413 HB2 ASP 58 1HB ASP 58 -6.710 2.769 15.786 414 HB3 ASP 58 2HB ASP 58 -7.286 4.326 16.375 415 H LEU 59 H LEU 59 -4.596 3.492 14.190 416 HA LEU 59 HA LEU 59 -3.479 5.962 15.197 417 HB2 LEU 59 1HB LEU 59 -2.028 3.519 14.198 418 HB3 LEU 59 2HB LEU 59 -1.373 4.809 15.204 419 HG LEU 59 HG LEU 59 -3.555 2.931 16.098 420 HD11 LEU 59 1HD1 LEU 59 -0.851 2.677 17.228 421 HD12 LEU 59 2HD1 LEU 59 -1.038 2.120 15.565 422 HD13 LEU 59 3HD1 LEU 59 -2.046 1.438 16.841 423 HD21 LEU 59 1HD2 LEU 59 -2.923 5.340 17.118 424 HD22 LEU 59 2HD2 LEU 59 -1.781 4.323 17.998 425 HD23 LEU 59 3HD2 LEU 59 -3.511 3.991 18.089 426 H VAL 60 H VAL 60 -3.468 4.130 12.171 427 HA VAL 60 HA VAL 60 -1.659 5.708 10.739 428 HB VAL 60 HB VAL 60 -4.053 4.198 9.679 429 HG11 VAL 60 1HG1 VAL 60 -2.724 4.140 7.566 430 HG12 VAL 60 2HG1 VAL 60 -3.300 5.746 8.016 431 HG13 VAL 60 3HG1 VAL 60 -1.615 5.303 8.293 432 HG21 VAL 60 1HG2 VAL 60 -1.455 3.360 10.703 433 HG22 VAL 60 2HG2 VAL 60 -2.912 2.413 10.399 434 HG23 VAL 60 3HG2 VAL 60 -1.792 2.755 9.081 435 H LYS 61 H LYS 61 -1.932 7.416 9.290 436 HA LYS 61 HA LYS 61 -4.203 9.146 9.903 437 HB2 LYS 61 1HB LYS 61 -1.457 9.561 8.821 438 HB3 LYS 61 2HB LYS 61 -2.704 10.712 8.360 439 HG2 LYS 61 1HG LYS 61 -2.139 10.002 11.222 440 HG3 LYS 61 2HG LYS 61 -1.304 11.306 10.375 441 HD2 LYS 61 1HD LYS 61 -3.436 12.404 9.937 442 HD3 LYS 61 2HD LYS 61 -4.293 11.083 10.736 443 HE2 LYS 61 1HE LYS 61 -3.146 11.614 12.833 444 HE3 LYS 61 2HE LYS 61 -2.292 12.932 12.033 445 HZ1 LYS 61 1HZ LYS 61 -5.154 13.048 11.739 446 HZ2 LYS 61 2HZ LYS 61 -4.062 14.262 12.179 447 HZ3 LYS 61 3HZ LYS 61 -4.634 13.177 13.344 448 H SER 62 H SER 62 -4.815 10.602 7.904 449 HA SER 62 HA SER 62 -4.795 9.375 5.338 450 HB2 SER 62 1HB SER 62 -7.220 8.875 5.196 451 HB3 SER 62 2HB SER 62 -6.397 7.852 6.373 452 HG SER 62 HG SER 62 -8.509 9.218 6.835 453 H GLY 63 H GLY 63 -5.560 10.740 3.735 454 HA2 GLY 63 1HA GLY 63 -6.828 12.621 2.967 455 HA3 GLY 63 2HA GLY 63 -6.807 13.258 4.604 456 H ASN 64 H ASN 64 -5.702 15.094 4.648 457 HA ASN 64 HA ASN 64 -3.536 15.568 2.785 458 HB2 ASN 64 1HB ASN 64 -4.497 17.391 4.995 459 HB3 ASN 64 2HB ASN 64 -3.574 17.836 3.563 460 HD21 ASN 64 1HD2 ASN 64 -4.611 17.867 1.545 461 HD22 ASN 64 2HD2 ASN 64 -6.330 17.983 1.420 462 H LEU 65 H LEU 65 -1.889 14.191 3.433 463 HA LEU 65 HA LEU 65 -0.916 14.302 6.165 464 HB2 LEU 65 1HB LEU 65 0.197 12.828 3.783 465 HB3 LEU 65 2HB LEU 65 0.666 12.600 5.467 466 HG LEU 65 HG LEU 65 -2.079 12.003 4.370 467 HD11 LEU 65 1HD1 LEU 65 0.108 10.612 3.685 468 HD12 LEU 65 2HD1 LEU 65 -1.475 9.874 3.926 469 HD13 LEU 65 3HD1 LEU 65 -0.276 9.827 5.217 470 HD21 LEU 65 1HD2 LEU 65 -1.019 10.826 6.874 471 HD22 LEU 65 2HD2 LEU 65 -2.665 11.292 6.446 472 HD23 LEU 65 3HD2 LEU 65 -1.492 12.524 6.913 473 H THR 66 H THR 66 0.430 15.837 6.801 474 HA THR 66 HA THR 66 1.803 17.540 4.970 475 HB THR 66 HB THR 66 2.785 18.590 6.965 476 HG1 THR 66 1HG THR 66 2.992 17.400 8.692 477 HG21 THR 66 1HG2 THR 66 -0.034 18.274 6.442 478 HG22 THR 66 2HG2 THR 66 0.854 19.706 6.966 479 HG23 THR 66 3HG2 THR 66 0.254 18.554 8.159 480 H GLU 67 H GLU 67 4.230 18.027 5.501 481 HA GLU 67 HA GLU 67 5.809 16.047 4.482 482 HB2 GLU 67 1HB GLU 67 6.465 18.332 6.323 483 HB3 GLU 67 2HB GLU 67 7.717 17.240 5.750 484 HG2 GLU 67 1HG GLU 67 6.920 17.786 3.407 485 HG3 GLU 67 2HG GLU 67 5.990 19.091 4.142 486 H ASP 68 H ASP 68 4.955 16.574 7.856 487 HA ASP 68 HA ASP 68 6.702 14.531 8.855 488 HB2 ASP 68 1HB ASP 68 4.604 16.309 10.009 489 HB3 ASP 68 2HB ASP 68 5.041 14.856 10.905 490 H ASP 69 H ASP 69 3.172 14.788 8.458 491 HA ASP 69 HA ASP 69 2.384 12.325 9.349 492 HB2 ASP 69 1HB ASP 69 1.340 13.897 6.988 493 HB3 ASP 69 2HB ASP 69 0.525 12.486 7.658 494 H LYS 70 H LYS 70 2.998 13.019 5.902 495 HA LYS 70 HA LYS 70 2.854 10.617 4.756 496 HB2 LYS 70 1HB LYS 70 4.815 12.835 4.376 497 HB3 LYS 70 2HB LYS 70 5.079 11.330 3.506 498 HG2 LYS 70 1HG LYS 70 2.743 11.540 2.622 499 HG3 LYS 70 2HG LYS 70 2.696 13.155 3.333 500 HD2 LYS 70 1HD LYS 70 4.650 13.791 1.987 501 HD3 LYS 70 2HD LYS 70 4.667 12.181 1.264 502 HE2 LYS 70 1HE LYS 70 2.338 12.617 0.455 503 HE3 LYS 70 2HE LYS 70 2.515 14.278 1.021 504 HZ1 LYS 70 1HZ LYS 70 3.315 14.667 -1.008 505 HZ2 LYS 70 2HZ LYS 70 3.566 13.028 -1.343 506 HZ3 LYS 70 3HZ LYS 70 4.732 13.904 -0.484 507 H HIS 71 H HIS 71 5.734 11.708 6.542 508 HA HIS 71 HA HIS 71 7.206 9.334 6.268 509 HB2 HIS 71 1HB HIS 71 7.291 11.637 8.183 510 HB3 HIS 71 2HB HIS 71 8.288 10.217 8.487 511 HD1 HIS 71 1HD HIS 71 9.745 9.530 6.165 512 HD2 HIS 71 2HD HIS 71 8.613 13.486 6.738 513 HE1 HIS 71 1HE HIS 71 11.281 10.887 4.708 514 HE2 HIS 71 2HE HIS 71 10.634 13.282 5.137 515 H ASN 72 H ASN 72 5.105 10.447 8.914 516 HA ASN 72 HA ASN 72 5.409 8.317 10.648 517 HB2 ASN 72 1HB ASN 72 3.075 10.133 10.087 518 HB3 ASN 72 2HB ASN 72 2.977 8.871 11.312 519 HD21 ASN 72 1HD2 ASN 72 3.536 12.035 10.886 520 HD22 ASN 72 2HD2 ASN 72 4.547 12.357 12.249 521 H ASN 73 H ASN 73 3.000 8.673 8.050 522 HA ASN 73 HA ASN 73 1.663 6.274 8.372 523 HB2 ASN 73 1HB ASN 73 2.278 7.822 5.849 524 HB3 ASN 73 2HB ASN 73 1.168 6.455 5.906 525 HD21 ASN 73 1HD2 ASN 73 -0.854 7.079 5.936 526 HD22 ASN 73 2HD2 ASN 73 -1.487 8.464 6.752 527 H ALA 74 H ALA 74 4.426 6.914 6.210 528 HA ALA 74 HA ALA 74 4.775 4.338 5.241 529 HB1 ALA 74 1HB ALA 74 6.246 5.526 4.073 530 HB2 ALA 74 2HB ALA 74 6.308 6.787 5.305 531 HB3 ALA 74 3HB ALA 74 7.346 5.369 5.442 532 H LYS 75 H LYS 75 6.629 5.850 7.894 533 HA LYS 75 HA LYS 75 8.160 3.833 8.775 534 HB2 LYS 75 1HB LYS 75 6.564 5.847 10.326 535 HB3 LYS 75 2HB LYS 75 7.555 4.662 11.167 536 HG2 LYS 75 1HG LYS 75 9.452 5.495 9.630 537 HG3 LYS 75 2HG LYS 75 8.403 6.889 9.362 538 HD2 LYS 75 1HD LYS 75 8.958 5.982 12.153 539 HD3 LYS 75 2HD LYS 75 10.179 6.916 11.285 540 HE2 LYS 75 1HE LYS 75 8.477 8.660 10.856 541 HE3 LYS 75 2HE LYS 75 7.326 7.738 11.822 542 HZ1 LYS 75 1HZ LYS 75 9.899 8.408 13.040 543 HZ2 LYS 75 2HZ LYS 75 8.370 8.276 13.751 544 HZ3 LYS 75 3HZ LYS 75 8.771 9.656 12.858 545 H TYR 76 H TYR 76 4.833 4.278 9.993 546 HA TYR 76 HA TYR 76 4.586 1.992 11.479 547 HB2 TYR 76 1HB TYR 76 2.885 3.854 11.180 548 HB3 TYR 76 2HB TYR 76 2.368 3.030 9.714 549 HD1 TYR 76 1HD TYR 76 3.091 2.118 13.273 550 HD2 TYR 76 2HD TYR 76 0.493 1.716 9.927 551 HE1 TYR 76 1HE TYR 76 1.600 0.689 14.610 552 HE2 TYR 76 2HE TYR 76 -1.006 0.288 11.255 553 HH TYR 76 HH TYR 76 -1.372 0.123 14.073 554 H ALA 77 H ALA 77 3.825 2.326 8.016 555 HA ALA 77 HA ALA 77 3.052 -0.296 7.519 556 HB1 ALA 77 1HB ALA 77 2.683 0.651 5.548 557 HB2 ALA 77 2HB ALA 77 3.717 2.018 5.968 558 HB3 ALA 77 3HB ALA 77 4.416 0.580 5.225 559 H VAL 78 H VAL 78 6.286 1.146 7.491 560 HA VAL 78 HA VAL 78 7.699 -1.059 6.505 561 HB VAL 78 HB VAL 78 8.656 1.035 8.461 562 HG11 VAL 78 1HG1 VAL 78 10.900 0.469 7.607 563 HG12 VAL 78 2HG1 VAL 78 10.135 -0.881 8.447 564 HG13 VAL 78 3HG1 VAL 78 10.193 -0.856 6.684 565 HG21 VAL 78 1HG2 VAL 78 9.054 0.990 5.480 566 HG22 VAL 78 2HG2 VAL 78 7.708 1.829 6.250 567 HG23 VAL 78 3HG2 VAL 78 9.366 2.313 6.604 568 H SER 79 H SER 79 6.932 -0.127 9.844 569 HA SER 79 HA SER 79 8.301 -2.247 11.094 570 HB2 SER 79 1HB SER 79 6.049 -0.446 11.957 571 HB3 SER 79 2HB SER 79 6.627 -1.744 13.001 572 HG SER 79 HG SER 79 8.795 -0.613 12.322 573 H MET 80 H MET 80 4.876 -1.884 10.205 574 HA MET 80 HA MET 80 4.018 -4.384 11.142 575 HB2 MET 80 1HB MET 80 2.948 -2.592 8.962 576 HB3 MET 80 2HB MET 80 2.132 -4.062 9.480 577 HG2 MET 80 1HG MET 80 2.687 -1.609 11.126 578 HG3 MET 80 2HG MET 80 1.122 -2.200 10.573 579 HE1 MET 80 1HE MET 80 1.184 -5.399 11.268 580 HE2 MET 80 2HE MET 80 0.323 -5.167 12.789 581 HE3 MET 80 3HE MET 80 -0.081 -4.175 11.387 582 H ALA 81 H ALA 81 4.617 -3.433 7.752 583 HA ALA 81 HA ALA 81 4.357 -5.709 6.396 584 HB1 ALA 81 1HB ALA 81 6.112 -3.412 6.133 585 HB2 ALA 81 2HB ALA 81 6.804 -4.872 5.423 586 HB3 ALA 81 3HB ALA 81 5.219 -4.302 4.898 587 H ARG 82 H ARG 82 7.480 -4.920 7.942 588 HA ARG 82 HA ARG 82 8.608 -7.465 7.575 589 HB2 ARG 82 1HB ARG 82 10.295 -6.764 9.193 590 HB3 ARG 82 2HB ARG 82 9.940 -5.462 8.065 591 HG2 ARG 82 1HG ARG 82 8.542 -4.376 9.732 592 HG3 ARG 82 2HG ARG 82 8.847 -5.697 10.861 593 HD2 ARG 82 1HD ARG 82 11.140 -4.199 9.667 594 HD3 ARG 82 2HD ARG 82 10.240 -3.496 11.010 595 HE ARG 82 HE ARG 82 11.082 -6.197 11.492 596 HH11 ARG 82 2HH1 ARG 82 12.023 -2.848 11.627 597 HH12 ARG 82 1HH1 ARG 82 13.218 -3.098 12.856 598 HH21 ARG 82 2HH2 ARG 82 12.652 -6.539 13.110 599 HH22 ARG 82 1HH2 ARG 82 13.576 -5.199 13.699 600 H ARG 83 H ARG 83 6.784 -6.074 10.263 601 HA ARG 83 HA ARG 83 7.134 -7.996 12.198 602 HB2 ARG 83 1HB ARG 83 5.753 -5.810 12.245 603 HB3 ARG 83 2HB ARG 83 4.424 -6.809 11.671 604 HG2 ARG 83 1HG ARG 83 4.668 -8.245 13.647 605 HG3 ARG 83 2HG ARG 83 5.966 -7.199 14.227 606 HD2 ARG 83 1HD ARG 83 4.476 -5.356 14.471 607 HD3 ARG 83 2HD ARG 83 3.185 -6.213 13.628 608 HE ARG 83 HE ARG 83 3.800 -6.375 16.390 609 HH11 ARG 83 2HH1 ARG 83 2.725 -8.293 13.691 610 HH12 ARG 83 1HH1 ARG 83 1.858 -9.426 14.674 611 HH21 ARG 83 2HH2 ARG 83 2.662 -7.860 17.695 612 HH22 ARG 83 1HH2 ARG 83 1.823 -9.178 16.951 613 H ILE 84 H ILE 84 4.613 -7.967 9.679 614 HA ILE 84 HA ILE 84 3.549 -10.499 10.351 615 HB ILE 84 HB ILE 84 2.438 -10.423 8.158 616 HG12 ILE 84 1HG1 ILE 84 3.759 -7.767 7.665 617 HG13 ILE 84 2HG1 ILE 84 4.495 -9.260 7.092 618 HG21 ILE 84 1HG2 ILE 84 1.353 -9.282 9.948 619 HG22 ILE 84 2HG2 ILE 84 2.405 -7.879 9.768 620 HG23 ILE 84 3HG2 ILE 84 1.224 -8.262 8.515 621 HD11 ILE 84 1HD1 ILE 84 2.207 -9.701 5.998 622 HD12 ILE 84 2HD1 ILE 84 1.935 -7.976 6.250 623 HD13 ILE 84 3HD1 ILE 84 3.293 -8.520 5.265 624 H GLY 85 H GLY 85 6.462 -9.653 8.899 625 HA2 GLY 85 1HA GLY 85 8.109 -11.352 8.487 626 HA3 GLY 85 2HA GLY 85 6.815 -12.425 7.972 627 H ALA 86 H ALA 86 8.625 -9.523 7.082 628 HA ALA 86 HA ALA 86 8.129 -10.195 4.257 629 HB1 ALA 86 1HB ALA 86 7.729 -7.638 5.670 630 HB2 ALA 86 2HB ALA 86 8.507 -7.540 4.090 631 HB3 ALA 86 3HB ALA 86 6.918 -8.290 4.246 632 H ARG 87 H ARG 87 10.307 -8.863 6.667 633 HA ARG 87 HA ARG 87 12.567 -8.623 6.726 634 HB2 ARG 87 1HB ARG 87 12.225 -11.041 5.702 635 HB3 ARG 87 2HB ARG 87 12.907 -10.284 4.269 636 HG2 ARG 87 1HG ARG 87 14.769 -11.160 5.303 637 HG3 ARG 87 2HG ARG 87 14.775 -9.491 5.876 638 HD2 ARG 87 1HD ARG 87 15.079 -10.563 7.864 639 HD3 ARG 87 2HD ARG 87 13.317 -10.541 7.819 640 HE ARG 87 HE ARG 87 13.359 -12.815 7.721 641 HH11 ARG 87 2HH1 ARG 87 16.433 -11.608 6.623 642 HH12 ARG 87 1HH1 ARG 87 17.140 -13.181 6.458 643 HH21 ARG 87 2HH2 ARG 87 14.277 -14.892 7.508 644 HH22 ARG 87 1HH2 ARG 87 15.912 -15.049 6.961 645 H VAL 88 H VAL 88 11.382 -6.512 5.636 646 HA VAL 88 HA VAL 88 12.875 -5.891 3.178 647 HB VAL 88 HB VAL 88 11.298 -4.025 2.868 648 HG11 VAL 88 1HG1 VAL 88 10.139 -5.469 1.647 649 HG12 VAL 88 2HG1 VAL 88 10.747 -6.799 2.635 650 HG13 VAL 88 3HG1 VAL 88 9.250 -5.979 3.082 651 HG21 VAL 88 1HG2 VAL 88 10.357 -3.278 4.769 652 HG22 VAL 88 2HG2 VAL 88 9.139 -4.511 4.442 653 HG23 VAL 88 3HG2 VAL 88 10.460 -4.851 5.559 654 H TYR 89 H TYR 89 14.778 -5.006 3.706 655 HA TYR 89 HA TYR 89 15.049 -3.295 6.024 656 HB2 TYR 89 1HB TYR 89 17.460 -3.107 4.950 657 HB3 TYR 89 2HB TYR 89 16.962 -4.553 5.821 658 HD1 TYR 89 2HD TYR 89 16.275 -6.581 4.544 659 HD2 TYR 89 1HD TYR 89 17.957 -3.176 2.625 660 HE1 TYR 89 2HE TYR 89 16.764 -7.949 2.560 661 HE2 TYR 89 1HE TYR 89 18.450 -4.535 0.635 662 HH TYR 89 HH TYR 89 18.531 -6.618 -0.199 663 H ALA 90 H ALA 90 13.303 -2.344 3.951 664 HA ALA 90 HA ALA 90 14.695 -0.285 2.494 665 HB1 ALA 90 1HB ALA 90 12.873 -1.014 1.299 666 HB2 ALA 90 2HB ALA 90 11.855 -1.163 2.731 667 HB3 ALA 90 3HB ALA 90 12.215 0.430 2.067 668 H LEU 91 H LEU 91 14.199 2.001 2.700 669 HA LEU 91 HA LEU 91 14.082 2.792 5.496 670 HB2 LEU 91 1HB LEU 91 14.473 4.585 3.116 671 HB3 LEU 91 2HB LEU 91 14.905 4.901 4.795 672 HG LEU 91 HG LEU 91 16.232 2.842 3.034 673 HD11 LEU 91 1HD1 LEU 91 17.752 4.359 2.383 674 HD12 LEU 91 2HD1 LEU 91 17.732 5.200 3.932 675 HD13 LEU 91 3HD1 LEU 91 16.475 5.522 2.738 676 HD21 LEU 91 1HD2 LEU 91 17.653 3.813 5.376 677 HD22 LEU 91 2HD2 LEU 91 17.369 2.161 4.827 678 HD23 LEU 91 3HD2 LEU 91 16.145 2.996 5.785 679 HA PRO 92 HA PRO 92 9.887 4.117 5.418 680 HB2 PRO 92 1HB PRO 92 9.976 5.992 7.379 681 HB3 PRO 92 2HB PRO 92 10.042 4.256 7.706 682 HG2 PRO 92 1HG PRO 92 12.276 6.243 7.566 683 HG3 PRO 92 2HG PRO 92 12.012 4.938 8.736 684 HD2 PRO 92 1HD PRO 92 13.745 4.712 6.668 685 HD3 PRO 92 2HD PRO 92 12.845 3.325 7.315 686 H GLU 93 H GLU 93 12.489 6.108 4.545 687 HA GLU 93 HA GLU 93 10.837 8.437 3.973 688 HB2 GLU 93 1HB GLU 93 13.783 7.950 3.495 689 HB3 GLU 93 2HB GLU 93 12.949 9.475 3.234 690 HG2 GLU 93 1HG GLU 93 12.282 9.184 5.750 691 HG3 GLU 93 2HG GLU 93 13.698 8.134 5.780 692 H ASP 94 H ASP 94 12.592 5.894 2.278 693 HA ASP 94 HA ASP 94 12.485 6.769 -0.322 694 HB2 ASP 94 1HB ASP 94 12.048 3.954 0.698 695 HB3 ASP 94 2HB ASP 94 12.411 4.372 -0.975 696 H LEU 95 H LEU 95 9.933 5.113 1.501 697 HA LEU 95 HA LEU 95 8.074 4.896 -0.585 698 HB2 LEU 95 1HB LEU 95 7.636 5.171 2.384 699 HB3 LEU 95 2HB LEU 95 6.383 4.728 1.227 700 HG LEU 95 HG LEU 95 8.883 3.105 1.668 701 HD11 LEU 95 1HD1 LEU 95 7.221 3.424 3.660 702 HD12 LEU 95 2HD1 LEU 95 7.832 1.821 3.253 703 HD13 LEU 95 3HD1 LEU 95 6.217 2.307 2.736 704 HD21 LEU 95 1HD2 LEU 95 6.592 1.661 0.757 705 HD22 LEU 95 2HD2 LEU 95 8.157 1.876 -0.029 706 HD23 LEU 95 3HD2 LEU 95 6.865 3.047 -0.299 707 H VAL 96 H VAL 96 8.542 7.443 1.843 708 HA VAL 96 HA VAL 96 6.385 9.067 1.222 709 HB VAL 96 HB VAL 96 9.150 9.936 2.076 710 HG11 VAL 96 1HG1 VAL 96 8.421 12.022 1.859 711 HG12 VAL 96 2HG1 VAL 96 6.826 11.455 1.357 712 HG13 VAL 96 3HG1 VAL 96 7.186 11.679 3.070 713 HG21 VAL 96 1HG2 VAL 96 7.448 8.312 3.438 714 HG22 VAL 96 2HG2 VAL 96 8.633 9.379 4.191 715 HG23 VAL 96 3HG2 VAL 96 6.957 9.902 4.024 716 H GLU 97 H GLU 97 9.643 9.077 -0.198 717 HA GLU 97 HA GLU 97 8.946 11.134 -2.094 718 HB2 GLU 97 1HB GLU 97 11.400 9.377 -1.905 719 HB3 GLU 97 2HB GLU 97 11.217 10.747 -2.991 720 HG2 GLU 97 1HG GLU 97 11.020 12.248 -1.084 721 HG3 GLU 97 2HG GLU 97 11.172 10.880 0.016 722 H VAL 98 H VAL 98 7.924 8.119 -1.926 723 HA VAL 98 HA VAL 98 7.327 6.458 -3.388 724 HB VAL 98 HB VAL 98 6.894 8.805 -5.239 725 HG11 VAL 98 1HG1 VAL 98 6.590 6.101 -5.712 726 HG12 VAL 98 2HG1 VAL 98 4.961 6.637 -5.296 727 HG13 VAL 98 3HG1 VAL 98 5.834 7.410 -6.620 728 HG21 VAL 98 1HG2 VAL 98 5.860 8.568 -2.725 729 HG22 VAL 98 2HG2 VAL 98 5.102 9.451 -4.051 730 HG23 VAL 98 3HG2 VAL 98 4.615 7.792 -3.705 731 H LYS 99 H LYS 99 10.053 6.635 -3.341 732 HA LYS 99 HA LYS 99 11.214 6.969 -5.916 733 HB2 LYS 99 1HB LYS 99 12.290 5.391 -3.574 734 HB3 LYS 99 2HB LYS 99 13.214 6.002 -4.940 735 HG2 LYS 99 1HG LYS 99 12.600 8.311 -4.227 736 HG3 LYS 99 2HG LYS 99 11.876 7.610 -2.778 737 HD2 LYS 99 1HD LYS 99 14.120 6.533 -2.333 738 HD3 LYS 99 2HD LYS 99 14.767 7.550 -3.623 739 HE2 LYS 99 1HE LYS 99 14.204 9.541 -2.431 740 HE3 LYS 99 2HE LYS 99 13.290 8.630 -1.229 741 HZ1 LYS 99 1HZ LYS 99 15.198 8.806 -0.081 742 HZ2 LYS 99 2HZ LYS 99 16.153 9.044 -1.457 743 HZ3 LYS 99 3HZ LYS 99 15.680 7.481 -1.016 744 HA PRO 100 HA PRO 100 9.717 3.097 -7.563 745 HB2 PRO 100 1HB PRO 100 10.850 3.401 -10.011 746 HB3 PRO 100 2HB PRO 100 9.369 4.237 -9.527 747 HG2 PRO 100 1HG PRO 100 12.185 5.252 -9.588 748 HG3 PRO 100 2HG PRO 100 10.693 6.059 -10.107 749 HD2 PRO 100 1HD PRO 100 11.877 6.575 -7.727 750 HD3 PRO 100 2HD PRO 100 10.118 6.654 -7.956 751 H LYS 101 H LYS 101 12.760 3.926 -6.585 752 HA LYS 101 HA LYS 101 14.147 1.667 -7.783 753 HB2 LYS 101 1HB LYS 101 14.968 3.967 -6.043 754 HB3 LYS 101 2HB LYS 101 16.016 2.564 -6.198 755 HG2 LYS 101 1HG LYS 101 16.287 2.908 -8.523 756 HG3 LYS 101 2HG LYS 101 14.990 4.105 -8.565 757 HD2 LYS 101 1HD LYS 101 16.463 5.416 -6.893 758 HD3 LYS 101 2HD LYS 101 17.762 4.358 -7.450 759 HE2 LYS 101 1HE LYS 101 17.569 5.142 -9.674 760 HE3 LYS 101 2HE LYS 101 16.035 5.942 -9.336 761 HZ1 LYS 101 1HZ LYS 101 17.643 7.628 -9.382 762 HZ2 LYS 101 2HZ LYS 101 18.743 6.744 -8.451 763 HZ3 LYS 101 3HZ LYS 101 17.342 7.368 -7.738 764 H MET 102 H MET 102 12.929 2.706 -4.639 765 HA MET 102 HA MET 102 13.714 0.124 -3.487 766 HB2 MET 102 1HB MET 102 12.825 2.712 -2.212 767 HB3 MET 102 2HB MET 102 13.061 1.222 -1.309 768 HG2 MET 102 1HG MET 102 15.175 2.654 -2.903 769 HG3 MET 102 2HG MET 102 14.985 2.719 -1.152 770 HE1 MET 102 1HE MET 102 16.190 -0.638 0.123 771 HE2 MET 102 2HE MET 102 16.206 1.096 0.442 772 HE3 MET 102 3HE MET 102 14.676 0.266 0.159 773 H VAL 103 H VAL 103 10.906 2.313 -3.633 774 HA VAL 103 HA VAL 103 8.969 0.872 -2.416 775 HB VAL 103 HB VAL 103 8.657 2.312 -5.054 776 HG11 VAL 103 1HG1 VAL 103 6.822 0.663 -4.196 777 HG12 VAL 103 2HG1 VAL 103 6.458 1.967 -3.065 778 HG13 VAL 103 3HG1 VAL 103 6.369 2.255 -4.803 779 HG21 VAL 103 1HG2 VAL 103 7.977 3.398 -2.343 780 HG22 VAL 103 2HG2 VAL 103 9.606 3.543 -3.001 781 HG23 VAL 103 3HG2 VAL 103 8.243 4.269 -3.853 782 H MET 104 H MET 104 10.370 0.211 -5.570 783 HA MET 104 HA MET 104 8.551 -1.653 -6.539 784 HB2 MET 104 1HB MET 104 10.368 -0.771 -7.900 785 HB3 MET 104 2HB MET 104 11.553 -1.580 -6.884 786 HG2 MET 104 1HG MET 104 9.463 -3.242 -8.173 787 HG3 MET 104 2HG MET 104 10.748 -2.589 -9.186 788 HE1 MET 104 1HE MET 104 10.785 -6.010 -6.315 789 HE2 MET 104 2HE MET 104 9.468 -4.961 -6.840 790 HE3 MET 104 3HE MET 104 10.194 -6.101 -7.974 791 H THR 105 H THR 105 11.636 -2.422 -4.915 792 HA THR 105 HA THR 105 11.061 -5.144 -4.536 793 HB THR 105 HB THR 105 13.342 -4.389 -4.401 794 HG1 THR 105 1HG THR 105 13.908 -5.388 -2.394 795 HG21 THR 105 1HG2 THR 105 14.099 -3.055 -2.413 796 HG22 THR 105 2HG2 THR 105 12.400 -2.757 -2.045 797 HG23 THR 105 3HG2 THR 105 13.092 -2.166 -3.555 798 H VAL 106 H VAL 106 10.354 -2.310 -2.599 799 HA VAL 106 HA VAL 106 9.768 -3.418 -0.145 800 HB VAL 106 HB VAL 106 8.332 -1.168 -1.556 801 HG11 VAL 106 1HG1 VAL 106 7.564 -2.516 0.779 802 HG12 VAL 106 2HG1 VAL 106 8.287 -0.996 1.309 803 HG13 VAL 106 3HG1 VAL 106 6.942 -0.984 0.167 804 HG21 VAL 106 1HG2 VAL 106 10.843 -1.396 -0.032 805 HG22 VAL 106 2HG2 VAL 106 10.377 -0.249 -1.288 806 HG23 VAL 106 3HG2 VAL 106 9.824 -0.014 0.371 807 H PHE 107 H PHE 107 7.736 -3.274 -3.034 808 HA PHE 107 HA PHE 107 5.487 -4.506 -1.729 809 HB2 PHE 107 1HB PHE 107 6.104 -3.520 -4.467 810 HB3 PHE 107 2HB PHE 107 4.846 -4.743 -4.315 811 HD1 PHE 107 1HD PHE 107 2.985 -4.267 -2.586 812 HD2 PHE 107 2HD PHE 107 5.590 -1.290 -4.157 813 HE1 PHE 107 1HE PHE 107 1.366 -2.524 -1.958 814 HE2 PHE 107 2HE PHE 107 3.976 0.457 -3.531 815 HZ PHE 107 HZ PHE 107 1.861 -0.158 -2.429 816 H ALA 108 H ALA 108 7.664 -5.530 -4.363 817 HA ALA 108 HA ALA 108 6.850 -8.080 -4.787 818 HB1 ALA 108 1HB ALA 108 9.369 -6.654 -5.061 819 HB2 ALA 108 2HB ALA 108 9.588 -8.385 -4.797 820 HB3 ALA 108 3HB ALA 108 8.601 -7.816 -6.143 821 H CYS 109 H CYS 109 8.776 -6.934 -2.065 822 HA CYS 109 HA CYS 109 9.469 -9.416 -0.971 823 HB2 CYS 109 1HB CYS 109 9.186 -6.647 0.126 824 HB3 CYS 109 2HB CYS 109 9.414 -7.987 1.243 825 HG CYS 109 HG CYS 109 11.897 -6.858 0.930 826 H LEU 110 H LEU 110 6.654 -7.340 -0.365 827 HA LEU 110 HA LEU 110 5.465 -8.897 1.631 828 HB2 LEU 110 1HB LEU 110 4.120 -7.173 -0.445 829 HB3 LEU 110 2HB LEU 110 3.386 -7.745 1.052 830 HG LEU 110 HG LEU 110 5.851 -6.054 1.152 831 HD11 LEU 110 1HD1 LEU 110 3.095 -4.870 1.109 832 HD12 LEU 110 2HD1 LEU 110 4.073 -5.010 -0.352 833 HD13 LEU 110 3HD1 LEU 110 4.653 -4.050 1.009 834 HD21 LEU 110 1HD2 LEU 110 4.345 -5.283 3.200 835 HD22 LEU 110 2HD2 LEU 110 5.392 -6.701 3.282 836 HD23 LEU 110 3HD2 LEU 110 3.666 -6.895 2.972 837 H MET 111 H MET 111 5.028 -8.957 -1.893 838 HA MET 111 HA MET 111 3.013 -10.822 -2.104 839 HB2 MET 111 1HB MET 111 3.853 -9.662 -4.048 840 HB3 MET 111 2HB MET 111 5.428 -10.425 -3.876 841 HG2 MET 111 1HG MET 111 4.235 -12.634 -4.217 842 HG3 MET 111 2HG MET 111 2.837 -11.682 -4.712 843 HE1 MET 111 1HE MET 111 2.861 -9.948 -6.505 844 HE2 MET 111 2HE MET 111 4.455 -9.196 -6.440 845 HE3 MET 111 3HE MET 111 3.902 -9.963 -7.929 846 H GLY 112 H GLY 112 6.513 -11.436 -1.888 847 HA2 GLY 112 1HA GLY 112 6.724 -14.102 -2.196 848 HA3 GLY 112 2HA GLY 112 7.597 -13.249 -0.932 849 H ARG 113 H ARG 113 6.331 -12.882 1.120 850 HA ARG 113 HA ARG 113 5.484 -15.355 2.149 851 HB2 ARG 113 1HB ARG 113 6.377 -13.167 3.323 852 HB3 ARG 113 2HB ARG 113 4.663 -12.798 3.459 853 HG2 ARG 113 1HG ARG 113 5.808 -15.405 4.404 854 HG3 ARG 113 2HG ARG 113 5.765 -13.966 5.425 855 HD2 ARG 113 1HD ARG 113 3.305 -13.848 5.026 856 HD3 ARG 113 2HD ARG 113 3.418 -15.392 4.182 857 HE ARG 113 HE ARG 113 4.528 -15.970 6.552 858 HH11 ARG 113 2HH1 ARG 113 1.570 -14.340 5.708 859 HH12 ARG 113 1HH1 ARG 113 0.729 -14.851 7.134 860 HH21 ARG 113 2HH2 ARG 113 3.431 -16.649 8.433 861 HH22 ARG 113 1HH2 ARG 113 1.789 -16.163 8.684 862 H GLY 114 H GLY 114 3.642 -12.472 1.185 863 HA2 GLY 114 1HA GLY 114 1.111 -13.086 1.949 864 HA3 GLY 114 2HA GLY 114 1.472 -12.319 0.410 865 H MET 115 H MET 115 2.411 -14.073 -1.226 866 HA MET 115 HA MET 115 0.349 -15.615 -2.113 867 HB2 MET 115 1HB MET 115 3.315 -15.850 -2.450 868 HB3 MET 115 2HB MET 115 2.268 -17.092 -3.124 869 HG2 MET 115 1HG MET 115 1.070 -15.369 -4.397 870 HG3 MET 115 2HG MET 115 2.165 -14.150 -3.748 871 HE1 MET 115 1HE MET 115 1.530 -14.198 -6.388 872 HE2 MET 115 2HE MET 115 3.078 -14.014 -7.215 873 HE3 MET 115 3HE MET 115 2.106 -15.464 -7.473 874 H LYS 116 H LYS 116 -0.776 -16.883 -0.730 875 HA LYS 116 HA LYS 116 0.535 -18.657 1.122 876 HB2 LYS 116 1HB LYS 116 -1.650 -17.525 1.589 877 HB3 LYS 116 2HB LYS 116 -2.390 -18.548 0.365 878 HG2 LYS 116 1HG LYS 116 -2.888 -19.619 2.363 879 HG3 LYS 116 2HG LYS 116 -1.498 -20.514 1.745 880 HD2 LYS 116 1HD LYS 116 -0.031 -19.121 3.192 881 HD3 LYS 116 2HD LYS 116 -1.479 -18.379 3.877 882 HE2 LYS 116 1HE LYS 116 -2.236 -20.589 4.632 883 HE3 LYS 116 2HE LYS 116 -0.771 -21.311 3.968 884 HZ1 LYS 116 1HZ LYS 116 0.399 -19.602 5.493 885 HZ2 LYS 116 2HZ LYS 116 -0.223 -21.023 6.167 886 HZ3 LYS 116 3HZ LYS 116 -1.077 -19.570 6.320 887 H ARG 117 H ARG 117 1.111 -20.704 0.784 888 HA ARG 117 HA ARG 117 -0.285 -22.531 -0.841 889 HB2 ARG 117 1HB ARG 117 0.904 -20.945 -2.526 890 HB3 ARG 117 2HB ARG 117 2.360 -21.816 -2.063 891 HG2 ARG 117 1HG ARG 117 1.528 -22.837 -4.028 892 HG3 ARG 117 2HG ARG 117 1.181 -23.935 -2.691 893 HD2 ARG 117 1HD ARG 117 -0.730 -23.762 -4.192 894 HD3 ARG 117 2HD ARG 117 -1.116 -23.101 -2.603 895 HE ARG 117 HE ARG 117 -1.419 -21.052 -3.572 896 HH11 ARG 117 2HH1 ARG 117 0.322 -23.106 -5.779 897 HH12 ARG 117 1HH1 ARG 117 0.239 -21.983 -7.096 898 HH21 ARG 117 2HH2 ARG 117 -1.536 -19.565 -5.298 899 HH22 ARG 117 1HH2 ARG 117 -0.818 -19.969 -6.821 900 H VAL 118 H VAL 118 0.025 -24.310 0.313 901 HA VAL 118 HA VAL 118 1.002 -25.711 1.876 902 HB VAL 118 HB VAL 118 3.290 -25.826 -0.059 903 HG11 VAL 118 1HG1 VAL 118 2.696 -27.314 2.118 904 HG12 VAL 118 2HG1 VAL 118 1.889 -28.246 0.855 905 HG13 VAL 118 3HG1 VAL 118 3.616 -27.908 0.736 906 HG21 VAL 118 1HG2 VAL 118 0.572 -27.028 -0.564 907 HG22 VAL 118 2HG2 VAL 118 1.176 -25.571 -1.354 908 HG23 VAL 118 3HG2 VAL 118 1.989 -27.115 -1.611 909 H SER 119 H SER 119 1.497 -23.190 2.768 910 HA SER 119 HA SER 119 4.283 -23.376 3.710 911 HB2 SER 119 1HB SER 119 2.711 -20.931 2.898 912 HB3 SER 119 2HB SER 119 4.145 -20.828 3.919 913 HG SER 119 HG SER 119 4.231 -20.745 1.411 914 H GLY 120 H GLY 120 3.727 -24.441 5.607 915 HA2 GLY 120 1HA GLY 120 2.935 -22.781 7.774 916 HA3 GLY 120 2HA GLY 120 1.628 -23.866 7.324 917 HA PRO 121 HA PRO 121 3.395 -26.868 10.001 918 HB2 PRO 121 1HB PRO 121 2.247 -29.101 8.967 919 HB3 PRO 121 2HB PRO 121 1.352 -27.918 9.929 920 HG2 PRO 121 1HG PRO 121 1.474 -28.237 6.955 921 HG3 PRO 121 2HG PRO 121 0.070 -27.915 7.989 922 HD2 PRO 121 1HD PRO 121 1.320 -25.968 6.583 923 HD3 PRO 121 2HD PRO 121 0.548 -25.666 8.152 924 H SER 122 H SER 122 4.830 -28.694 10.029 925 HA SER 122 HA SER 122 6.821 -28.584 8.004 926 HB2 SER 122 1HB SER 122 7.038 -29.193 10.534 927 HB3 SER 122 2HB SER 122 6.647 -30.826 9.996 928 HG SER 122 HG SER 122 8.520 -30.959 8.971 929 H SER 123 H SER 123 5.818 -29.148 6.058 930 HA SER 123 HA SER 123 4.608 -31.776 5.801 931 HB2 SER 123 1HB SER 123 4.934 -29.422 3.958 932 HB3 SER 123 2HB SER 123 4.444 -30.996 3.331 933 HG SER 123 HG SER 123 2.673 -30.933 4.770 934 H GLY 124 H GLY 124 5.565 -33.540 4.977 935 HA2 GLY 124 1HA GLY 124 8.073 -33.239 3.486 936 HA3 GLY 124 2HA GLY 124 8.085 -34.224 4.941 Start of MODEL 14 1 H1 GLY 1 H GLY 1 22.991 -21.575 -7.975 2 HA2 GLY 1 1HA GLY 1 22.039 -19.249 -8.269 3 HA3 GLY 1 2HA GLY 1 21.237 -20.481 -9.233 4 H SER 2 H SER 2 20.224 -17.936 -8.134 5 HA SER 2 HA SER 2 17.819 -19.035 -6.895 6 HB2 SER 2 1HB SER 2 19.456 -18.192 -5.108 7 HB3 SER 2 2HB SER 2 19.111 -16.575 -5.723 8 HG SER 2 HG SER 2 17.655 -16.903 -4.121 9 H SER 3 H SER 3 16.028 -17.441 -6.859 10 HA SER 3 HA SER 3 15.619 -16.305 -9.371 11 HB2 SER 3 1HB SER 3 13.878 -16.957 -7.605 12 HB3 SER 3 2HB SER 3 14.186 -15.378 -6.884 13 HG SER 3 HG SER 3 12.468 -15.783 -8.685 14 H GLY 4 H GLY 4 16.933 -14.764 -10.152 15 HA2 GLY 4 1HA GLY 4 17.896 -12.623 -8.444 16 HA3 GLY 4 2HA GLY 4 18.318 -12.886 -10.130 17 H SER 5 H SER 5 16.634 -12.360 -11.744 18 HA SER 5 HA SER 5 14.507 -10.590 -10.937 19 HB2 SER 5 1HB SER 5 15.328 -8.642 -12.209 20 HB3 SER 5 2HB SER 5 16.410 -9.046 -10.877 21 HG SER 5 HG SER 5 17.412 -8.617 -12.989 22 H SER 6 H SER 6 12.913 -10.478 -12.442 23 HA SER 6 HA SER 6 13.463 -11.664 -15.082 24 HB2 SER 6 1HB SER 6 11.194 -12.217 -13.182 25 HB3 SER 6 2HB SER 6 11.024 -12.505 -14.914 26 HG SER 6 HG SER 6 13.181 -13.683 -14.497 27 H GLY 7 H GLY 7 11.137 -9.696 -13.235 28 HA2 GLY 7 1HA GLY 7 10.971 -7.370 -14.305 29 HA3 GLY 7 2HA GLY 7 10.480 -8.273 -15.730 30 H ASN 8 H ASN 8 9.644 -8.000 -12.275 31 HA ASN 8 HA ASN 8 6.848 -8.538 -12.963 32 HB2 ASN 8 1HB ASN 8 7.917 -8.240 -10.166 33 HB3 ASN 8 2HB ASN 8 6.495 -9.124 -10.712 34 HD21 ASN 8 1HD2 ASN 8 8.287 -10.313 -9.054 35 HD22 ASN 8 2HD2 ASN 8 9.151 -11.546 -9.901 36 H ASP 9 H ASP 9 8.422 -5.951 -13.323 37 HA ASP 9 HA ASP 9 7.779 -3.936 -11.624 38 HB2 ASP 9 1HB ASP 9 7.411 -2.554 -13.823 39 HB3 ASP 9 2HB ASP 9 8.997 -3.229 -13.461 40 H ASP 10 H ASP 10 5.659 -5.098 -14.244 41 HA ASP 10 HA ASP 10 3.445 -3.520 -13.286 42 HB2 ASP 10 1HB ASP 10 2.207 -4.899 -15.091 43 HB3 ASP 10 2HB ASP 10 3.439 -3.754 -15.614 44 H ILE 11 H ILE 11 3.971 -7.025 -13.709 45 HA ILE 11 HA ILE 11 1.776 -8.108 -12.616 46 HB ILE 11 HB ILE 11 4.622 -8.936 -12.054 47 HG12 ILE 11 1HG1 ILE 11 2.610 -10.185 -13.925 48 HG13 ILE 11 2HG1 ILE 11 3.717 -8.915 -14.436 49 HG21 ILE 11 1HG2 ILE 11 3.548 -10.052 -10.360 50 HG22 ILE 11 2HG2 ILE 11 2.029 -10.160 -11.248 51 HG23 ILE 11 3HG2 ILE 11 3.377 -11.212 -11.677 52 HD11 ILE 11 1HD1 ILE 11 5.565 -10.462 -13.560 53 HD12 ILE 11 2HD1 ILE 11 4.328 -11.718 -13.603 54 HD13 ILE 11 3HD1 ILE 11 4.775 -10.870 -15.083 55 H ILE 12 H ILE 12 4.521 -6.914 -10.687 56 HA ILE 12 HA ILE 12 3.611 -7.488 -8.156 57 HB ILE 12 HB ILE 12 5.216 -5.147 -9.156 58 HG12 ILE 12 1HG1 ILE 12 5.964 -7.567 -7.500 59 HG13 ILE 12 2HG1 ILE 12 6.226 -7.411 -9.234 60 HG21 ILE 12 1HG2 ILE 12 4.098 -5.642 -6.461 61 HG22 ILE 12 2HG2 ILE 12 5.775 -5.108 -6.548 62 HG23 ILE 12 3HG2 ILE 12 4.499 -4.123 -7.263 63 HD11 ILE 12 1HD1 ILE 12 7.589 -5.329 -8.641 64 HD12 ILE 12 2HD1 ILE 12 7.571 -5.957 -6.993 65 HD13 ILE 12 3HD1 ILE 12 8.287 -6.910 -8.293 66 H VAL 13 H VAL 13 2.850 -4.649 -10.143 67 HA VAL 13 HA VAL 13 1.288 -3.299 -8.232 68 HB VAL 13 HB VAL 13 1.140 -3.196 -11.247 69 HG11 VAL 13 1HG1 VAL 13 -0.170 -1.250 -11.079 70 HG12 VAL 13 2HG1 VAL 13 -0.910 -2.401 -9.963 71 HG13 VAL 13 3HG1 VAL 13 0.117 -1.107 -9.345 72 HG21 VAL 13 1HG2 VAL 13 3.037 -2.050 -11.125 73 HG22 VAL 13 2HG2 VAL 13 2.229 -0.846 -10.121 74 HG23 VAL 13 3HG2 VAL 13 3.052 -2.213 -9.369 75 H ASN 14 H ASN 14 0.293 -5.378 -10.952 76 HA ASN 14 HA ASN 14 -2.439 -5.326 -10.557 77 HB2 ASN 14 1HB ASN 14 -0.627 -7.497 -11.603 78 HB3 ASN 14 2HB ASN 14 -2.379 -7.678 -11.573 79 HD21 ASN 14 1HD2 ASN 14 0.308 -6.278 -13.148 80 HD22 ASN 14 2HD2 ASN 14 -0.559 -5.477 -14.409 81 H TRP 15 H TRP 15 -0.010 -7.340 -8.973 82 HA TRP 15 HA TRP 15 -1.838 -8.967 -7.545 83 HB2 TRP 15 1HB TRP 15 0.593 -9.486 -7.967 84 HB3 TRP 15 2HB TRP 15 0.995 -8.294 -6.734 85 HD1 TRP 15 HD TRP 15 -0.412 -11.812 -7.154 86 HE1 TRP 15 1HE TRP 15 -0.483 -12.959 -4.851 87 HE3 TRP 15 3HE TRP 15 0.768 -7.801 -4.213 88 HZ2 TRP 15 2HZ TRP 15 -0.091 -12.256 -2.146 89 HZ3 TRP 15 3HZ TRP 15 0.899 -8.122 -1.777 90 HH2 TRP 15 HH TRP 15 0.478 -10.304 -0.767 91 H VAL 16 H VAL 16 -0.103 -5.991 -6.720 92 HA VAL 16 HA VAL 16 -0.838 -5.808 -4.035 93 HB VAL 16 HB VAL 16 -0.373 -3.561 -6.002 94 HG11 VAL 16 1HG1 VAL 16 0.168 -2.239 -3.961 95 HG12 VAL 16 2HG1 VAL 16 -1.532 -2.697 -4.088 96 HG13 VAL 16 3HG1 VAL 16 -0.463 -3.569 -2.989 97 HG21 VAL 16 1HG2 VAL 16 1.386 -5.488 -4.868 98 HG22 VAL 16 2HG2 VAL 16 1.771 -4.133 -5.928 99 HG23 VAL 16 3HG2 VAL 16 1.767 -3.910 -4.179 100 H ASN 17 H ASN 17 -2.561 -4.855 -6.955 101 HA ASN 17 HA ASN 17 -4.659 -3.474 -5.615 102 HB2 ASN 17 1HB ASN 17 -4.151 -4.429 -8.389 103 HB3 ASN 17 2HB ASN 17 -5.819 -4.083 -7.943 104 HD21 ASN 17 1HD2 ASN 17 -2.597 -2.641 -7.556 105 HD22 ASN 17 2HD2 ASN 17 -3.091 -1.027 -7.925 106 H ARG 18 H ARG 18 -4.449 -6.709 -7.087 107 HA ARG 18 HA ARG 18 -7.019 -7.580 -6.470 108 HB2 ARG 18 1HB ARG 18 -5.621 -8.831 -7.986 109 HB3 ARG 18 2HB ARG 18 -4.446 -9.141 -6.715 110 HG2 ARG 18 1HG ARG 18 -5.790 -10.708 -5.672 111 HG3 ARG 18 2HG ARG 18 -7.263 -10.090 -6.422 112 HD2 ARG 18 1HD ARG 18 -6.812 -12.113 -7.528 113 HD3 ARG 18 2HD ARG 18 -6.272 -10.851 -8.635 114 HE ARG 18 HE ARG 18 -4.075 -11.572 -7.110 115 HH11 ARG 18 2HH1 ARG 18 -6.235 -13.075 -9.389 116 HH12 ARG 18 1HH1 ARG 18 -5.050 -14.196 -9.971 117 HH21 ARG 18 2HH2 ARG 18 -2.506 -13.043 -7.868 118 HH22 ARG 18 1HH2 ARG 18 -2.929 -14.178 -9.105 119 H THR 19 H THR 19 -4.014 -8.038 -4.615 120 HA THR 19 HA THR 19 -5.072 -9.445 -2.469 121 HB THR 19 HB THR 19 -2.835 -7.416 -2.327 122 HG1 THR 19 1HG THR 19 -1.948 -8.794 -3.681 123 HG21 THR 19 1HG2 THR 19 -2.129 -9.334 -0.604 124 HG22 THR 19 2HG2 THR 19 -3.881 -9.489 -0.482 125 HG23 THR 19 3HG2 THR 19 -3.106 -7.945 -0.129 126 H LEU 20 H LEU 20 -5.020 -5.982 -3.091 127 HA LEU 20 HA LEU 20 -5.896 -5.162 -0.527 128 HB2 LEU 20 1HB LEU 20 -5.916 -3.886 -3.239 129 HB3 LEU 20 2HB LEU 20 -6.658 -3.091 -1.852 130 HG LEU 20 HG LEU 20 -3.788 -3.970 -1.793 131 HD11 LEU 20 1HD1 LEU 20 -4.299 -2.489 -3.791 132 HD12 LEU 20 2HD1 LEU 20 -3.064 -1.915 -2.672 133 HD13 LEU 20 3HD1 LEU 20 -4.686 -1.226 -2.623 134 HD21 LEU 20 1HD2 LEU 20 -5.470 -1.990 -0.278 135 HD22 LEU 20 2HD2 LEU 20 -3.708 -1.995 -0.211 136 HD23 LEU 20 3HD2 LEU 20 -4.616 -3.403 0.343 137 H SER 21 H SER 21 -7.623 -5.811 -3.558 138 HA SER 21 HA SER 21 -10.191 -5.138 -2.590 139 HB2 SER 21 1HB SER 21 -9.446 -5.420 -5.026 140 HB3 SER 21 2HB SER 21 -9.658 -7.152 -4.772 141 HG SER 21 HG SER 21 -11.751 -6.901 -4.821 142 H GLU 22 H GLU 22 -8.366 -8.153 -2.657 143 HA GLU 22 HA GLU 22 -10.222 -10.042 -2.062 144 HB2 GLU 22 1HB GLU 22 -7.394 -9.653 -1.198 145 HB3 GLU 22 2HB GLU 22 -8.326 -10.931 -0.431 146 HG2 GLU 22 1HG GLU 22 -8.895 -11.620 -2.868 147 HG3 GLU 22 2HG GLU 22 -7.475 -10.659 -3.277 148 H ALA 23 H ALA 23 -8.673 -7.876 0.294 149 HA ALA 23 HA ALA 23 -10.376 -8.830 2.431 150 HB1 ALA 23 1HB ALA 23 -8.062 -8.254 2.916 151 HB2 ALA 23 2HB ALA 23 -8.352 -6.594 2.391 152 HB3 ALA 23 3HB ALA 23 -9.166 -7.221 3.825 153 H GLY 24 H GLY 24 -10.058 -5.942 0.419 154 HA2 GLY 24 1HA GLY 24 -12.160 -4.830 -0.196 155 HA3 GLY 24 2HA GLY 24 -12.669 -5.046 1.472 156 H LYS 25 H LYS 25 -9.684 -3.801 -0.023 157 HA LYS 25 HA LYS 25 -9.782 -1.530 1.814 158 HB2 LYS 25 1HB LYS 25 -7.574 -2.285 -0.104 159 HB3 LYS 25 2HB LYS 25 -7.475 -1.151 1.236 160 HG2 LYS 25 1HG LYS 25 -8.123 -4.045 1.673 161 HG3 LYS 25 2HG LYS 25 -6.459 -3.467 1.557 162 HD2 LYS 25 1HD LYS 25 -6.587 -2.292 3.528 163 HD3 LYS 25 2HD LYS 25 -8.335 -2.080 3.412 164 HE2 LYS 25 1HE LYS 25 -7.182 -4.813 3.786 165 HE3 LYS 25 2HE LYS 25 -7.332 -3.727 5.167 166 HZ1 LYS 25 1HZ LYS 25 -9.756 -3.572 3.930 167 HZ2 LYS 25 2HZ LYS 25 -9.406 -4.472 5.318 168 HZ3 LYS 25 3HZ LYS 25 -9.356 -5.211 3.797 169 H SER 26 H SER 26 -9.817 0.599 1.151 170 HA SER 26 HA SER 26 -10.894 1.038 -1.518 171 HB2 SER 26 1HB SER 26 -11.946 2.039 0.545 172 HB3 SER 26 2HB SER 26 -10.523 3.070 0.691 173 HG SER 26 HG SER 26 -11.291 4.292 -0.830 174 H THR 27 H THR 27 -7.894 0.839 -0.298 175 HA THR 27 HA THR 27 -6.780 3.145 -1.700 176 HB THR 27 HB THR 27 -4.573 2.032 -0.805 177 HG1 THR 27 1HG THR 27 -6.021 0.171 -0.068 178 HG21 THR 27 1HG2 THR 27 -5.021 3.142 1.448 179 HG22 THR 27 2HG2 THR 27 -6.630 3.505 0.823 180 HG23 THR 27 3HG2 THR 27 -5.202 4.151 0.013 181 H SER 28 H SER 28 -5.159 2.935 -3.310 182 HA SER 28 HA SER 28 -4.475 0.391 -4.422 183 HB2 SER 28 1HB SER 28 -6.679 1.996 -5.625 184 HB3 SER 28 2HB SER 28 -5.535 1.226 -6.724 185 HG SER 28 HG SER 28 -7.073 -0.055 -4.711 186 H ILE 29 H ILE 29 -3.165 0.649 -6.443 187 HA ILE 29 HA ILE 29 -1.969 3.313 -6.707 188 HB ILE 29 HB ILE 29 0.301 2.272 -6.788 189 HG12 ILE 29 1HG1 ILE 29 -0.857 -0.085 -5.338 190 HG13 ILE 29 2HG1 ILE 29 -0.799 -0.080 -7.097 191 HG21 ILE 29 1HG2 ILE 29 -0.205 1.580 -4.099 192 HG22 ILE 29 2HG2 ILE 29 0.416 3.102 -4.735 193 HG23 ILE 29 3HG2 ILE 29 -1.321 2.879 -4.522 194 HD11 ILE 29 1HD1 ILE 29 1.684 0.447 -6.828 195 HD12 ILE 29 2HD1 ILE 29 1.469 -0.045 -5.147 196 HD13 ILE 29 3HD1 ILE 29 1.139 -1.187 -6.449 197 H GLN 30 H GLN 30 -0.325 3.271 -8.594 198 HA GLN 30 HA GLN 30 -1.438 1.632 -10.775 199 HB2 GLN 30 1HB GLN 30 -0.694 4.540 -10.708 200 HB3 GLN 30 2HB GLN 30 -0.677 3.650 -12.225 201 HG2 GLN 30 1HG GLN 30 -3.103 3.558 -10.496 202 HG3 GLN 30 2HG GLN 30 -2.792 4.977 -11.496 203 HE21 GLN 30 1HE2 GLN 30 -2.005 4.228 -13.808 204 HE22 GLN 30 2HE2 GLN 30 -3.059 3.089 -14.568 205 H SER 31 H SER 31 1.419 3.343 -9.573 206 HA SER 31 HA SER 31 3.132 1.249 -10.572 207 HB2 SER 31 1HB SER 31 2.705 3.046 -12.447 208 HB3 SER 31 2HB SER 31 3.865 3.995 -11.518 209 HG SER 31 HG SER 31 5.426 2.613 -12.014 210 H PHE 32 H PHE 32 5.543 2.004 -10.173 211 HA PHE 32 HA PHE 32 5.667 2.676 -7.376 212 HB2 PHE 32 1HB PHE 32 8.008 2.277 -9.239 213 HB3 PHE 32 2HB PHE 32 7.971 2.073 -7.490 214 HD1 PHE 32 1HD PHE 32 5.832 0.384 -6.867 215 HD2 PHE 32 2HD PHE 32 8.301 0.293 -10.333 216 HE1 PHE 32 1HE PHE 32 5.333 -2.008 -7.156 217 HE2 PHE 32 2HE PHE 32 7.806 -2.098 -10.628 218 HZ PHE 32 HZ PHE 32 6.319 -3.252 -9.039 219 H LYS 33 H LYS 33 5.098 4.625 -9.776 220 HA LYS 33 HA LYS 33 6.969 6.722 -8.886 221 HB2 LYS 33 1HB LYS 33 5.693 6.186 -11.551 222 HB3 LYS 33 2HB LYS 33 6.230 7.807 -11.131 223 HG2 LYS 33 1HG LYS 33 8.466 6.557 -10.539 224 HG3 LYS 33 2HG LYS 33 7.824 5.355 -11.661 225 HD2 LYS 33 1HD LYS 33 8.999 6.698 -13.106 226 HD3 LYS 33 2HD LYS 33 7.409 7.462 -13.176 227 HE2 LYS 33 1HE LYS 33 8.193 9.026 -11.375 228 HE3 LYS 33 2HE LYS 33 9.807 8.346 -11.580 229 HZ1 LYS 33 1HZ LYS 33 8.221 9.739 -13.670 230 HZ2 LYS 33 2HZ LYS 33 9.745 9.043 -13.907 231 HZ3 LYS 33 3HZ LYS 33 9.571 10.361 -12.861 232 H ASP 34 H ASP 34 3.673 5.771 -9.235 233 HA ASP 34 HA ASP 34 2.233 8.076 -9.315 234 HB2 ASP 34 1HB ASP 34 1.451 5.623 -8.994 235 HB3 ASP 34 2HB ASP 34 1.541 5.983 -7.272 236 H LYS 35 H LYS 35 1.402 9.550 -7.787 237 HA LYS 35 HA LYS 35 3.256 10.105 -5.608 238 HB2 LYS 35 1HB LYS 35 0.933 11.763 -6.604 239 HB3 LYS 35 2HB LYS 35 2.197 12.288 -5.499 240 HG2 LYS 35 1HG LYS 35 2.833 11.347 -8.273 241 HG3 LYS 35 2HG LYS 35 2.359 13.014 -7.941 242 HD2 LYS 35 1HD LYS 35 4.585 11.676 -6.432 243 HD3 LYS 35 2HD LYS 35 4.864 12.467 -7.985 244 HE2 LYS 35 1HE LYS 35 3.419 13.942 -5.831 245 HE3 LYS 35 2HE LYS 35 5.172 13.780 -5.737 246 HZ1 LYS 35 1HZ LYS 35 5.392 15.386 -7.223 247 HZ2 LYS 35 2HZ LYS 35 3.715 15.607 -7.237 248 HZ3 LYS 35 3HZ LYS 35 4.439 14.552 -8.344 249 H THR 36 H THR 36 1.219 7.919 -5.527 250 HA THR 36 HA THR 36 -0.459 8.844 -3.301 251 HB THR 36 HB THR 36 -1.775 6.812 -3.624 252 HG1 THR 36 1HG THR 36 0.213 6.251 -5.575 253 HG21 THR 36 1HG2 THR 36 -2.816 8.312 -4.957 254 HG22 THR 36 2HG2 THR 36 -2.190 7.295 -6.255 255 HG23 THR 36 3HG2 THR 36 -1.327 8.760 -5.789 256 H ILE 37 H ILE 37 1.994 6.486 -4.182 257 HA ILE 37 HA ILE 37 1.947 4.855 -1.934 258 HB ILE 37 HB ILE 37 4.409 5.709 -3.460 259 HG12 ILE 37 1HG1 ILE 37 2.902 3.176 -3.986 260 HG13 ILE 37 2HG1 ILE 37 2.325 4.680 -4.696 261 HG21 ILE 37 1HG2 ILE 37 3.957 3.107 -2.029 262 HG22 ILE 37 2HG2 ILE 37 5.471 3.786 -2.625 263 HG23 ILE 37 3HG2 ILE 37 4.669 4.509 -1.231 264 HD11 ILE 37 1HD1 ILE 37 3.933 3.149 -6.028 265 HD12 ILE 37 2HD1 ILE 37 4.170 4.897 -6.053 266 HD13 ILE 37 3HD1 ILE 37 5.180 3.884 -5.021 267 H SER 38 H SER 38 3.194 8.082 -2.342 268 HA SER 38 HA SER 38 4.945 8.261 -0.191 269 HB2 SER 38 1HB SER 38 4.642 10.647 -0.306 270 HB3 SER 38 2HB SER 38 4.563 10.016 -1.951 271 HG SER 38 HG SER 38 2.875 11.470 -1.604 272 H SER 39 H SER 39 1.440 8.405 -0.277 273 HA SER 39 HA SER 39 1.112 9.293 2.412 274 HB2 SER 39 1HB SER 39 -1.223 8.876 2.097 275 HB3 SER 39 2HB SER 39 -0.608 9.489 0.562 276 HG SER 39 HG SER 39 -0.944 7.598 -0.344 277 H SER 40 H SER 40 1.976 6.321 1.033 278 HA SER 40 HA SER 40 2.222 4.206 1.841 279 HB2 SER 40 1HB SER 40 2.196 5.465 4.586 280 HB3 SER 40 2HB SER 40 3.036 4.002 4.072 281 HG SER 40 HG SER 40 4.097 5.622 2.530 282 H LEU 41 H LEU 41 -0.486 5.234 1.499 283 HA LEU 41 HA LEU 41 -2.014 4.021 3.654 284 HB2 LEU 41 1HB LEU 41 -2.952 5.311 1.096 285 HB3 LEU 41 2HB LEU 41 -3.972 4.830 2.450 286 HG LEU 41 HG LEU 41 -1.805 6.904 2.705 287 HD11 LEU 41 1HD1 LEU 41 -3.046 8.201 1.378 288 HD12 LEU 41 2HD1 LEU 41 -4.181 8.266 2.726 289 HD13 LEU 41 3HD1 LEU 41 -4.421 7.097 1.427 290 HD21 LEU 41 1HD2 LEU 41 -3.415 5.565 4.562 291 HD22 LEU 41 2HD2 LEU 41 -4.110 7.178 4.403 292 HD23 LEU 41 3HD2 LEU 41 -2.411 6.989 4.840 293 H ALA 42 H ALA 42 -1.148 3.402 0.311 294 HA ALA 42 HA ALA 42 -2.919 1.164 0.009 295 HB1 ALA 42 1HB ALA 42 -1.372 0.762 -2.037 296 HB2 ALA 42 2HB ALA 42 -2.441 2.166 -2.018 297 HB3 ALA 42 3HB ALA 42 -0.729 2.356 -1.638 298 H VAL 43 H VAL 43 0.416 1.639 0.971 299 HA VAL 43 HA VAL 43 1.264 -1.049 0.760 300 HB VAL 43 HB VAL 43 2.289 1.146 2.566 301 HG11 VAL 43 1HG1 VAL 43 4.294 -0.175 2.811 302 HG12 VAL 43 2HG1 VAL 43 2.902 -1.127 3.328 303 HG13 VAL 43 3HG1 VAL 43 3.640 -1.426 1.754 304 HG21 VAL 43 1HG2 VAL 43 2.812 2.006 0.538 305 HG22 VAL 43 2HG2 VAL 43 4.161 0.875 0.663 306 HG23 VAL 43 3HG2 VAL 43 2.729 0.440 -0.270 307 H VAL 44 H VAL 44 0.094 0.843 3.539 308 HA VAL 44 HA VAL 44 0.243 -1.217 5.437 309 HB VAL 44 HB VAL 44 -1.663 1.127 5.376 310 HG11 VAL 44 1HG1 VAL 44 -2.238 0.695 7.548 311 HG12 VAL 44 2HG1 VAL 44 -2.010 -0.953 6.960 312 HG13 VAL 44 3HG1 VAL 44 -0.736 -0.164 7.891 313 HG21 VAL 44 1HG2 VAL 44 0.945 1.429 5.319 314 HG22 VAL 44 2HG2 VAL 44 -0.054 2.423 6.379 315 HG23 VAL 44 3HG2 VAL 44 0.813 1.034 7.033 316 H ASP 45 H ASP 45 -2.544 -0.067 3.539 317 HA ASP 45 HA ASP 45 -4.463 -1.819 4.467 318 HB2 ASP 45 1HB ASP 45 -4.051 -0.467 1.821 319 HB3 ASP 45 2HB ASP 45 -5.383 -1.600 2.033 320 H LEU 46 H LEU 46 -1.972 -2.352 2.036 321 HA LEU 46 HA LEU 46 -2.872 -4.796 1.022 322 HB2 LEU 46 1HB LEU 46 -1.042 -3.395 0.082 323 HB3 LEU 46 2HB LEU 46 -0.006 -3.942 1.399 324 HG LEU 46 HG LEU 46 -0.278 -6.273 0.551 325 HD11 LEU 46 1HD1 LEU 46 -2.303 -6.180 -0.658 326 HD12 LEU 46 2HD1 LEU 46 -1.033 -6.436 -1.854 327 HD13 LEU 46 3HD1 LEU 46 -1.739 -4.834 -1.648 328 HD21 LEU 46 1HD2 LEU 46 1.735 -5.627 -0.194 329 HD22 LEU 46 2HD2 LEU 46 1.136 -4.068 -0.761 330 HD23 LEU 46 3HD2 LEU 46 0.940 -5.507 -1.763 331 H ILE 47 H ILE 47 -0.389 -4.245 3.526 332 HA ILE 47 HA ILE 47 0.183 -6.790 4.273 333 HB ILE 47 HB ILE 47 -0.243 -4.455 6.140 334 HG12 ILE 47 1HG1 ILE 47 2.421 -5.469 5.228 335 HG13 ILE 47 2HG1 ILE 47 1.485 -4.435 4.154 336 HG21 ILE 47 1HG2 ILE 47 0.700 -7.221 6.585 337 HG22 ILE 47 2HG2 ILE 47 1.609 -5.935 7.376 338 HG23 ILE 47 3HG2 ILE 47 -0.118 -6.109 7.682 339 HD11 ILE 47 1HD1 ILE 47 2.777 -3.799 6.752 340 HD12 ILE 47 2HD1 ILE 47 2.766 -2.892 5.239 341 HD13 ILE 47 3HD1 ILE 47 1.336 -2.904 6.271 342 H ASP 48 H ASP 48 -2.585 -4.882 5.424 343 HA ASP 48 HA ASP 48 -3.685 -6.573 7.265 344 HB2 ASP 48 1HB ASP 48 -4.630 -4.377 6.745 345 HB3 ASP 48 2HB ASP 48 -5.171 -4.966 5.175 346 H ALA 49 H ALA 49 -4.548 -6.584 3.801 347 HA ALA 49 HA ALA 49 -6.211 -8.707 3.651 348 HB1 ALA 49 1HB ALA 49 -4.096 -7.723 1.792 349 HB2 ALA 49 2HB ALA 49 -4.967 -9.208 1.405 350 HB3 ALA 49 3HB ALA 49 -5.851 -7.697 1.618 351 H ILE 50 H ILE 50 -2.661 -8.996 3.420 352 HA ILE 50 HA ILE 50 -2.585 -11.799 3.385 353 HB ILE 50 HB ILE 50 -0.456 -9.945 4.457 354 HG12 ILE 50 1HG1 ILE 50 -0.455 -11.056 1.679 355 HG13 ILE 50 2HG1 ILE 50 -1.443 -9.643 2.030 356 HG21 ILE 50 1HG2 ILE 50 0.980 -11.688 4.481 357 HG22 ILE 50 2HG2 ILE 50 -0.502 -12.621 4.680 358 HG23 ILE 50 3HG2 ILE 50 0.233 -12.463 3.085 359 HD11 ILE 50 1HD1 ILE 50 1.298 -9.744 1.430 360 HD12 ILE 50 2HD1 ILE 50 0.328 -8.336 1.865 361 HD13 ILE 50 3HD1 ILE 50 1.163 -9.254 3.118 362 H GLN 51 H GLN 51 -2.076 -9.545 6.098 363 HA GLN 51 HA GLN 51 -2.928 -11.685 7.921 364 HB2 GLN 51 1HB GLN 51 -0.540 -11.641 8.124 365 HB3 GLN 51 2HB GLN 51 -0.526 -9.886 8.234 366 HG2 GLN 51 1HG GLN 51 -1.164 -9.873 10.417 367 HG3 GLN 51 2HG GLN 51 -2.058 -11.386 10.280 368 HE21 GLN 51 1HE2 GLN 51 -0.613 -11.215 12.441 369 HE22 GLN 51 2HE2 GLN 51 0.843 -12.139 12.340 370 HA PRO 52 HA PRO 52 -5.402 -7.862 8.643 371 HB2 PRO 52 1HB PRO 52 -7.731 -9.193 9.067 372 HB3 PRO 52 2HB PRO 52 -7.158 -8.748 7.455 373 HG2 PRO 52 1HG PRO 52 -6.965 -11.376 8.876 374 HG3 PRO 52 2HG PRO 52 -7.385 -11.047 7.185 375 HD2 PRO 52 1HD PRO 52 -4.918 -11.871 7.939 376 HD3 PRO 52 2HD PRO 52 -5.183 -10.789 6.556 377 H GLY 53 H GLY 53 -6.687 -7.259 10.563 378 HA2 GLY 53 1HA GLY 53 -7.296 -7.463 12.818 379 HA3 GLY 53 2HA GLY 53 -6.423 -8.987 12.892 380 H CYS 54 H CYS 54 -4.136 -7.417 11.512 381 HA CYS 54 HA CYS 54 -2.947 -6.523 14.028 382 HB2 CYS 54 1HB CYS 54 -0.855 -6.919 13.079 383 HB3 CYS 54 2HB CYS 54 -1.849 -8.177 12.355 384 HG CYS 54 HG CYS 54 -1.885 -7.236 9.870 385 H ILE 55 H ILE 55 -3.531 -5.383 10.726 386 HA ILE 55 HA ILE 55 -2.350 -2.842 11.039 387 HB ILE 55 HB ILE 55 -4.561 -3.693 9.165 388 HG12 ILE 55 1HG1 ILE 55 -2.404 -4.950 8.979 389 HG13 ILE 55 2HG1 ILE 55 -2.822 -4.038 7.532 390 HG21 ILE 55 1HG2 ILE 55 -2.724 -1.320 8.910 391 HG22 ILE 55 2HG2 ILE 55 -4.092 -1.740 7.880 392 HG23 ILE 55 3HG2 ILE 55 -4.367 -1.228 9.544 393 HD11 ILE 55 1HD1 ILE 55 -1.139 -2.600 9.452 394 HD12 ILE 55 2HD1 ILE 55 -0.396 -4.017 8.710 395 HD13 ILE 55 3HD1 ILE 55 -1.024 -2.718 7.696 396 H ASN 56 H ASN 56 -2.957 -1.330 12.431 397 HA ASN 56 HA ASN 56 -5.815 -1.065 13.079 398 HB2 ASN 56 1HB ASN 56 -3.998 -1.534 14.892 399 HB3 ASN 56 2HB ASN 56 -3.621 0.177 14.709 400 HD21 ASN 56 1HD2 ASN 56 -4.472 -0.805 17.103 401 HD22 ASN 56 2HD2 ASN 56 -6.060 -0.219 17.447 402 H TYR 57 H TYR 57 -6.639 0.392 11.691 403 HA TYR 57 HA TYR 57 -5.235 2.573 10.593 404 HB2 TYR 57 1HB TYR 57 -8.212 2.127 10.887 405 HB3 TYR 57 2HB TYR 57 -7.481 3.383 9.895 406 HD1 TYR 57 2HD TYR 57 -5.290 2.009 8.570 407 HD2 TYR 57 1HD TYR 57 -9.214 0.616 9.445 408 HE1 TYR 57 2HE TYR 57 -5.147 0.439 6.682 409 HE2 TYR 57 1HE TYR 57 -9.081 -0.959 7.560 410 HH TYR 57 HH TYR 57 -6.153 -1.630 5.929 411 H ASP 58 H ASP 58 -7.329 2.272 13.413 412 HA ASP 58 HA ASP 58 -7.932 4.768 14.162 413 HB2 ASP 58 1HB ASP 58 -8.107 2.545 15.493 414 HB3 ASP 58 2HB ASP 58 -6.556 3.019 16.182 415 H LEU 59 H LEU 59 -4.699 3.420 14.109 416 HA LEU 59 HA LEU 59 -3.578 5.861 15.255 417 HB2 LEU 59 1HB LEU 59 -2.062 3.443 14.312 418 HB3 LEU 59 2HB LEU 59 -1.525 4.695 15.430 419 HG LEU 59 HG LEU 59 -3.761 2.781 16.067 420 HD11 LEU 59 1HD1 LEU 59 -1.517 1.678 15.576 421 HD12 LEU 59 2HD1 LEU 59 -2.253 1.347 17.144 422 HD13 LEU 59 3HD1 LEU 59 -0.927 2.503 17.020 423 HD21 LEU 59 1HD2 LEU 59 -3.785 3.697 18.134 424 HD22 LEU 59 2HD2 LEU 59 -3.157 5.100 17.269 425 HD23 LEU 59 3HD2 LEU 59 -2.052 4.027 18.130 426 H VAL 60 H VAL 60 -3.601 4.011 12.252 427 HA VAL 60 HA VAL 60 -1.706 5.530 10.840 428 HB VAL 60 HB VAL 60 -4.084 4.012 9.758 429 HG11 VAL 60 1HG1 VAL 60 -2.983 4.023 7.635 430 HG12 VAL 60 2HG1 VAL 60 -3.094 5.692 8.198 431 HG13 VAL 60 3HG1 VAL 60 -1.565 4.820 8.316 432 HG21 VAL 60 1HG2 VAL 60 -1.824 3.068 11.091 433 HG22 VAL 60 2HG2 VAL 60 -2.958 2.126 10.122 434 HG23 VAL 60 3HG2 VAL 60 -1.501 2.785 9.380 435 H LYS 61 H LYS 61 -1.872 7.293 9.501 436 HA LYS 61 HA LYS 61 -4.173 9.013 9.972 437 HB2 LYS 61 1HB LYS 61 -1.394 9.413 8.950 438 HB3 LYS 61 2HB LYS 61 -2.629 10.586 8.511 439 HG2 LYS 61 1HG LYS 61 -2.096 9.798 11.359 440 HG3 LYS 61 2HG LYS 61 -1.234 11.110 10.553 441 HD2 LYS 61 1HD LYS 61 -3.509 12.086 10.009 442 HD3 LYS 61 2HD LYS 61 -4.182 10.899 11.129 443 HE2 LYS 61 1HE LYS 61 -3.878 12.937 12.330 444 HE3 LYS 61 2HE LYS 61 -2.644 11.805 12.881 445 HZ1 LYS 61 1HZ LYS 61 -1.438 13.715 12.561 446 HZ2 LYS 61 2HZ LYS 61 -2.342 14.212 11.221 447 HZ3 LYS 61 3HZ LYS 61 -1.223 12.953 11.065 448 H SER 62 H SER 62 -4.913 10.367 8.054 449 HA SER 62 HA SER 62 -4.723 9.212 5.443 450 HB2 SER 62 1HB SER 62 -7.103 8.591 5.221 451 HB3 SER 62 2HB SER 62 -6.286 7.610 6.438 452 HG SER 62 HG SER 62 -8.374 9.336 6.713 453 H GLY 63 H GLY 63 -5.970 10.416 3.839 454 HA2 GLY 63 1HA GLY 63 -7.243 12.287 3.151 455 HA3 GLY 63 2HA GLY 63 -7.083 12.960 4.766 456 H ASN 64 H ASN 64 -5.931 14.760 4.776 457 HA ASN 64 HA ASN 64 -3.956 15.229 2.686 458 HB2 ASN 64 1HB ASN 64 -4.666 17.179 4.864 459 HB3 ASN 64 2HB ASN 64 -4.079 17.510 3.237 460 HD21 ASN 64 1HD2 ASN 64 -6.434 18.515 4.648 461 HD22 ASN 64 2HD2 ASN 64 -7.788 18.113 3.653 462 H LEU 65 H LEU 65 -2.219 13.948 3.262 463 HA LEU 65 HA LEU 65 -1.057 14.262 5.918 464 HB2 LEU 65 1HB LEU 65 -0.019 12.564 3.664 465 HB3 LEU 65 2HB LEU 65 0.341 12.421 5.384 466 HG LEU 65 HG LEU 65 -2.424 11.956 4.303 467 HD11 LEU 65 1HD1 LEU 65 -0.522 9.717 4.834 468 HD12 LEU 65 2HD1 LEU 65 -0.536 10.507 3.257 469 HD13 LEU 65 3HD1 LEU 65 -1.998 9.733 3.869 470 HD21 LEU 65 1HD2 LEU 65 -2.940 11.282 6.381 471 HD22 LEU 65 2HD2 LEU 65 -1.520 12.217 6.850 472 HD23 LEU 65 3HD2 LEU 65 -1.390 10.474 6.614 473 H THR 66 H THR 66 0.301 15.882 6.255 474 HA THR 66 HA THR 66 1.637 17.221 4.085 475 HB THR 66 HB THR 66 0.758 18.442 6.074 476 HG1 THR 66 1HG THR 66 3.562 18.805 5.942 477 HG21 THR 66 1HG2 THR 66 1.799 16.543 7.607 478 HG22 THR 66 2HG2 THR 66 1.589 18.194 8.191 479 HG23 THR 66 3HG2 THR 66 3.169 17.652 7.626 480 H GLU 67 H GLU 67 4.020 17.762 4.337 481 HA GLU 67 HA GLU 67 5.661 15.722 3.833 482 HB2 GLU 67 1HB GLU 67 7.486 17.093 4.288 483 HB3 GLU 67 2HB GLU 67 6.186 18.249 4.032 484 HG2 GLU 67 1HG GLU 67 5.884 18.287 6.531 485 HG3 GLU 67 2HG GLU 67 7.386 17.371 6.641 486 H ASP 68 H ASP 68 4.810 16.795 7.096 487 HA ASP 68 HA ASP 68 6.458 14.883 8.423 488 HB2 ASP 68 1HB ASP 68 4.055 16.382 9.489 489 HB3 ASP 68 2HB ASP 68 5.286 15.568 10.451 490 H ASP 69 H ASP 69 2.900 15.118 8.259 491 HA ASP 69 HA ASP 69 2.164 12.752 9.337 492 HB2 ASP 69 1HB ASP 69 0.952 13.820 6.781 493 HB3 ASP 69 2HB ASP 69 0.161 12.815 7.992 494 H LYS 70 H LYS 70 2.588 13.085 5.809 495 HA LYS 70 HA LYS 70 2.415 10.566 4.944 496 HB2 LYS 70 1HB LYS 70 4.528 12.589 4.206 497 HB3 LYS 70 2HB LYS 70 4.309 11.078 3.333 498 HG2 LYS 70 1HG LYS 70 1.919 11.786 2.949 499 HG3 LYS 70 2HG LYS 70 2.384 13.372 3.570 500 HD2 LYS 70 1HD LYS 70 4.220 13.360 1.818 501 HD3 LYS 70 2HD LYS 70 3.407 11.960 1.116 502 HE2 LYS 70 1HE LYS 70 2.408 13.613 -0.094 503 HE3 LYS 70 2HE LYS 70 1.305 13.560 1.279 504 HZ1 LYS 70 1HZ LYS 70 2.683 15.369 2.278 505 HZ2 LYS 70 2HZ LYS 70 1.832 15.816 0.886 506 HZ3 LYS 70 3HZ LYS 70 3.492 15.502 0.798 507 H HIS 71 H HIS 71 5.458 11.883 6.260 508 HA HIS 71 HA HIS 71 6.984 9.585 6.173 509 HB2 HIS 71 1HB HIS 71 7.001 12.030 7.875 510 HB3 HIS 71 2HB HIS 71 7.992 10.669 8.392 511 HD1 HIS 71 1HD HIS 71 9.482 9.700 6.153 512 HD2 HIS 71 2HD HIS 71 8.438 13.716 6.349 513 HE1 HIS 71 1HE HIS 71 11.087 10.888 4.624 514 HE2 HIS 71 2HE HIS 71 10.491 13.326 4.825 515 H ASN 72 H ASN 72 4.760 10.654 8.718 516 HA ASN 72 HA ASN 72 5.271 8.635 10.575 517 HB2 ASN 72 1HB ASN 72 2.704 10.134 10.015 518 HB3 ASN 72 2HB ASN 72 2.981 9.132 11.436 519 HD21 ASN 72 1HD2 ASN 72 3.968 12.031 9.745 520 HD22 ASN 72 2HD2 ASN 72 4.670 12.819 11.113 521 H ASN 73 H ASN 73 2.743 8.774 8.067 522 HA ASN 73 HA ASN 73 1.565 6.315 8.510 523 HB2 ASN 73 1HB ASN 73 1.993 7.797 5.910 524 HB3 ASN 73 2HB ASN 73 0.948 6.389 6.074 525 HD21 ASN 73 1HD2 ASN 73 -1.100 6.897 6.231 526 HD22 ASN 73 2HD2 ASN 73 -1.753 8.299 7.000 527 H ALA 74 H ALA 74 4.188 7.035 6.203 528 HA ALA 74 HA ALA 74 4.656 4.487 5.261 529 HB1 ALA 74 1HB ALA 74 7.185 5.707 5.538 530 HB2 ALA 74 2HB ALA 74 6.158 5.639 4.105 531 HB3 ALA 74 3HB ALA 74 6.019 6.993 5.226 532 H LYS 75 H LYS 75 6.240 6.053 8.045 533 HA LYS 75 HA LYS 75 7.935 4.094 8.873 534 HB2 LYS 75 1HB LYS 75 6.284 6.090 10.365 535 HB3 LYS 75 2HB LYS 75 7.181 4.883 11.277 536 HG2 LYS 75 1HG LYS 75 9.224 5.635 9.968 537 HG3 LYS 75 2HG LYS 75 8.249 7.014 9.454 538 HD2 LYS 75 1HD LYS 75 8.649 6.272 12.345 539 HD3 LYS 75 2HD LYS 75 9.714 7.384 11.482 540 HE2 LYS 75 1HE LYS 75 8.246 8.887 12.366 541 HE3 LYS 75 2HE LYS 75 7.409 8.526 10.858 542 HZ1 LYS 75 1HZ LYS 75 5.741 8.291 12.391 543 HZ2 LYS 75 2HZ LYS 75 6.757 7.670 13.592 544 HZ3 LYS 75 3HZ LYS 75 6.291 6.694 12.291 545 H TYR 76 H TYR 76 4.513 4.351 9.840 546 HA TYR 76 HA TYR 76 4.322 2.096 11.408 547 HB2 TYR 76 1HB TYR 76 2.539 3.858 10.936 548 HB3 TYR 76 2HB TYR 76 2.150 2.933 9.490 549 HD1 TYR 76 1HD TYR 76 2.694 2.302 13.140 550 HD2 TYR 76 2HD TYR 76 0.396 1.453 9.661 551 HE1 TYR 76 1HE TYR 76 1.225 0.849 14.473 552 HE2 TYR 76 2HE TYR 76 -1.081 -0.002 10.985 553 HH TYR 76 HH TYR 76 -1.747 -0.170 13.477 554 H ALA 77 H ALA 77 3.707 2.304 7.904 555 HA ALA 77 HA ALA 77 3.121 -0.349 7.407 556 HB1 ALA 77 1HB ALA 77 4.635 0.533 5.209 557 HB2 ALA 77 2HB ALA 77 2.880 0.538 5.388 558 HB3 ALA 77 3HB ALA 77 3.818 1.955 5.858 559 H VAL 78 H VAL 78 6.291 1.218 7.601 560 HA VAL 78 HA VAL 78 7.858 -0.955 6.786 561 HB VAL 78 HB VAL 78 8.597 1.203 8.768 562 HG11 VAL 78 1HG1 VAL 78 10.096 -0.989 7.489 563 HG12 VAL 78 2HG1 VAL 78 10.886 0.589 7.492 564 HG13 VAL 78 3HG1 VAL 78 10.386 -0.152 9.013 565 HG21 VAL 78 1HG2 VAL 78 7.741 1.879 6.442 566 HG22 VAL 78 2HG2 VAL 78 9.282 2.544 6.984 567 HG23 VAL 78 3HG2 VAL 78 9.254 1.200 5.842 568 H SER 79 H SER 79 6.675 -0.023 9.989 569 HA SER 79 HA SER 79 8.060 -2.030 11.425 570 HB2 SER 79 1HB SER 79 7.222 -0.132 12.630 571 HB3 SER 79 2HB SER 79 5.575 -0.436 12.078 572 HG SER 79 HG SER 79 6.641 -1.289 14.283 573 H MET 80 H MET 80 4.864 -1.901 9.932 574 HA MET 80 HA MET 80 3.977 -4.407 10.944 575 HB2 MET 80 1HB MET 80 3.038 -2.859 8.522 576 HB3 MET 80 2HB MET 80 2.189 -4.210 9.261 577 HG2 MET 80 1HG MET 80 2.660 -1.472 10.394 578 HG3 MET 80 2HG MET 80 1.125 -2.253 10.018 579 HE1 MET 80 1HE MET 80 0.487 -4.522 11.050 580 HE2 MET 80 2HE MET 80 1.985 -5.338 11.496 581 HE3 MET 80 3HE MET 80 0.789 -4.952 12.734 582 H ALA 81 H ALA 81 4.950 -3.456 7.642 583 HA ALA 81 HA ALA 81 4.930 -5.779 6.309 584 HB1 ALA 81 1HB ALA 81 6.113 -3.358 5.877 585 HB2 ALA 81 2HB ALA 81 7.504 -4.441 5.939 586 HB3 ALA 81 3HB ALA 81 6.203 -4.741 4.787 587 H ARG 82 H ARG 82 7.635 -4.788 8.408 588 HA ARG 82 HA ARG 82 8.992 -7.287 8.145 589 HB2 ARG 82 1HB ARG 82 10.508 -6.432 9.834 590 HB3 ARG 82 2HB ARG 82 10.162 -5.172 8.657 591 HG2 ARG 82 1HG ARG 82 8.401 -4.345 10.296 592 HG3 ARG 82 2HG ARG 82 9.162 -5.418 11.473 593 HD2 ARG 82 1HD ARG 82 10.862 -3.523 9.922 594 HD3 ARG 82 2HD ARG 82 9.896 -2.906 11.262 595 HE ARG 82 HE ARG 82 11.277 -4.009 12.739 596 HH11 ARG 82 2HH1 ARG 82 11.961 -5.031 9.483 597 HH12 ARG 82 1HH1 ARG 82 13.412 -5.874 9.913 598 HH21 ARG 82 2HH2 ARG 82 13.185 -5.116 13.319 599 HH22 ARG 82 1HH2 ARG 82 14.107 -5.922 12.096 600 H ARG 83 H ARG 83 6.664 -5.948 10.386 601 HA ARG 83 HA ARG 83 6.978 -7.787 12.488 602 HB2 ARG 83 1HB ARG 83 5.702 -5.684 12.683 603 HB3 ARG 83 2HB ARG 83 4.471 -6.340 11.612 604 HG2 ARG 83 1HG ARG 83 3.745 -7.890 13.204 605 HG3 ARG 83 2HG ARG 83 5.207 -7.707 14.175 606 HD2 ARG 83 1HD ARG 83 4.384 -5.213 14.339 607 HD3 ARG 83 2HD ARG 83 2.819 -5.938 13.974 608 HE ARG 83 HE ARG 83 2.784 -6.851 16.077 609 HH11 ARG 83 2HH1 ARG 83 5.997 -5.718 15.363 610 HH12 ARG 83 1HH1 ARG 83 6.581 -5.957 16.977 611 HH21 ARG 83 2HH2 ARG 83 3.541 -7.170 18.205 612 HH22 ARG 83 1HH2 ARG 83 5.183 -6.784 18.592 613 H ILE 84 H ILE 84 5.253 -7.969 9.451 614 HA ILE 84 HA ILE 84 3.909 -10.433 10.175 615 HB ILE 84 HB ILE 84 3.095 -10.397 7.818 616 HG12 ILE 84 1HG1 ILE 84 4.455 -7.699 7.694 617 HG13 ILE 84 2HG1 ILE 84 5.076 -9.152 6.917 618 HG21 ILE 84 1HG2 ILE 84 2.606 -8.289 9.824 619 HG22 ILE 84 2HG2 ILE 84 1.961 -7.996 8.210 620 HG23 ILE 84 3HG2 ILE 84 1.492 -9.446 9.097 621 HD11 ILE 84 1HD1 ILE 84 3.374 -7.296 5.806 622 HD12 ILE 84 2HD1 ILE 84 3.708 -8.914 5.188 623 HD13 ILE 84 3HD1 ILE 84 2.310 -8.638 6.228 624 H GLY 85 H GLY 85 6.989 -9.876 9.616 625 HA2 GLY 85 1HA GLY 85 8.566 -11.628 9.313 626 HA3 GLY 85 2HA GLY 85 7.379 -12.491 8.346 627 H ALA 86 H ALA 86 6.722 -10.088 6.772 628 HA ALA 86 HA ALA 86 8.238 -10.463 4.538 629 HB1 ALA 86 1HB ALA 86 7.480 -7.654 4.972 630 HB2 ALA 86 2HB ALA 86 7.080 -8.750 3.649 631 HB3 ALA 86 3HB ALA 86 6.178 -8.829 5.163 632 H ARG 87 H ARG 87 10.422 -10.636 4.725 633 HA ARG 87 HA ARG 87 12.036 -8.860 6.243 634 HB2 ARG 87 1HB ARG 87 12.700 -11.178 5.670 635 HB3 ARG 87 2HB ARG 87 12.852 -10.697 3.985 636 HG2 ARG 87 1HG ARG 87 15.033 -10.646 4.769 637 HG3 ARG 87 2HG ARG 87 14.531 -8.956 4.844 638 HD2 ARG 87 1HD ARG 87 13.920 -9.369 7.256 639 HD3 ARG 87 2HD ARG 87 14.727 -10.929 7.109 640 HE ARG 87 HE ARG 87 15.974 -8.326 7.259 641 HH11 ARG 87 2HH1 ARG 87 16.343 -11.682 6.408 642 HH12 ARG 87 1HH1 ARG 87 18.070 -11.663 6.549 643 HH21 ARG 87 2HH2 ARG 87 18.247 -8.288 7.448 644 HH22 ARG 87 1HH2 ARG 87 19.152 -9.732 7.142 645 H VAL 88 H VAL 88 11.948 -6.746 5.715 646 HA VAL 88 HA VAL 88 12.977 -5.988 3.089 647 HB VAL 88 HB VAL 88 10.572 -5.867 2.780 648 HG11 VAL 88 1HG1 VAL 88 9.085 -4.922 4.223 649 HG12 VAL 88 2HG1 VAL 88 10.321 -5.409 5.383 650 HG13 VAL 88 3HG1 VAL 88 10.246 -3.738 4.822 651 HG21 VAL 88 1HG2 VAL 88 12.341 -3.589 2.636 652 HG22 VAL 88 2HG2 VAL 88 11.116 -4.134 1.491 653 HG23 VAL 88 3HG2 VAL 88 10.663 -3.084 2.833 654 H TYR 89 H TYR 89 14.558 -4.561 3.338 655 HA TYR 89 HA TYR 89 14.628 -2.962 5.808 656 HB2 TYR 89 1HB TYR 89 17.121 -2.749 5.169 657 HB3 TYR 89 2HB TYR 89 16.559 -4.287 5.814 658 HD1 TYR 89 1HD TYR 89 17.709 -2.527 2.805 659 HD2 TYR 89 2HD TYR 89 16.477 -6.262 4.427 660 HE1 TYR 89 1HE TYR 89 18.588 -3.674 0.814 661 HE2 TYR 89 2HE TYR 89 17.354 -7.420 2.442 662 HH TYR 89 HH TYR 89 17.826 -6.318 -0.271 663 H ALA 90 H ALA 90 13.011 -1.982 3.858 664 HA ALA 90 HA ALA 90 14.536 0.000 2.349 665 HB1 ALA 90 1HB ALA 90 12.759 -1.247 1.199 666 HB2 ALA 90 2HB ALA 90 11.575 -0.571 2.319 667 HB3 ALA 90 3HB ALA 90 12.449 0.489 1.213 668 H LEU 91 H LEU 91 15.119 1.705 3.552 669 HA LEU 91 HA LEU 91 14.212 2.697 5.863 670 HB2 LEU 91 1HB LEU 91 14.781 4.543 3.560 671 HB3 LEU 91 2HB LEU 91 15.054 4.836 5.276 672 HG LEU 91 HG LEU 91 16.593 2.929 3.515 673 HD11 LEU 91 1HD1 LEU 91 18.470 4.479 4.051 674 HD12 LEU 91 2HD1 LEU 91 17.291 5.579 4.765 675 HD13 LEU 91 3HD1 LEU 91 17.206 5.189 3.047 676 HD21 LEU 91 1HD2 LEU 91 16.403 3.238 6.439 677 HD22 LEU 91 2HD2 LEU 91 18.036 3.137 5.780 678 HD23 LEU 91 3HD2 LEU 91 16.878 1.843 5.470 679 HA PRO 92 HA PRO 92 10.056 4.072 5.509 680 HB2 PRO 92 1HB PRO 92 10.043 6.107 7.305 681 HB3 PRO 92 2HB PRO 92 10.107 4.406 7.781 682 HG2 PRO 92 1HG PRO 92 12.331 6.399 7.570 683 HG3 PRO 92 2HG PRO 92 12.024 5.195 8.835 684 HD2 PRO 92 1HD PRO 92 13.850 4.814 6.871 685 HD3 PRO 92 2HD PRO 92 12.932 3.477 7.594 686 H GLU 93 H GLU 93 12.687 6.055 4.644 687 HA GLU 93 HA GLU 93 11.143 8.365 3.884 688 HB2 GLU 93 1HB GLU 93 14.008 7.561 3.378 689 HB3 GLU 93 2HB GLU 93 13.310 9.060 2.781 690 HG2 GLU 93 1HG GLU 93 12.682 9.476 5.251 691 HG3 GLU 93 2HG GLU 93 13.891 8.239 5.593 692 H ASP 94 H ASP 94 12.618 5.604 2.245 693 HA ASP 94 HA ASP 94 12.293 6.304 -0.393 694 HB2 ASP 94 1HB ASP 94 12.634 4.086 -0.900 695 HB3 ASP 94 2HB ASP 94 13.196 4.105 0.769 696 H LEU 95 H LEU 95 9.883 4.868 1.776 697 HA LEU 95 HA LEU 95 7.825 4.529 -0.077 698 HB2 LEU 95 1HB LEU 95 7.658 5.182 2.861 699 HB3 LEU 95 2HB LEU 95 6.309 4.622 1.875 700 HG LEU 95 HG LEU 95 8.816 3.037 2.433 701 HD11 LEU 95 1HD1 LEU 95 6.110 2.399 3.525 702 HD12 LEU 95 2HD1 LEU 95 7.154 3.549 4.359 703 HD13 LEU 95 3HD1 LEU 95 7.700 1.893 4.097 704 HD21 LEU 95 1HD2 LEU 95 6.517 2.681 0.650 705 HD22 LEU 95 2HD2 LEU 95 6.875 1.287 1.670 706 HD23 LEU 95 3HD2 LEU 95 8.119 1.943 0.604 707 H VAL 96 H VAL 96 8.666 7.331 1.921 708 HA VAL 96 HA VAL 96 6.467 8.934 1.140 709 HB VAL 96 HB VAL 96 9.179 9.831 2.127 710 HG11 VAL 96 1HG1 VAL 96 8.307 11.932 2.481 711 HG12 VAL 96 2HG1 VAL 96 7.493 11.472 0.985 712 HG13 VAL 96 3HG1 VAL 96 6.643 11.352 2.526 713 HG21 VAL 96 1HG2 VAL 96 8.596 8.844 4.038 714 HG22 VAL 96 2HG2 VAL 96 7.336 10.068 4.184 715 HG23 VAL 96 3HG2 VAL 96 6.967 8.507 3.452 716 H GLU 97 H GLU 97 9.812 8.719 -0.030 717 HA GLU 97 HA GLU 97 9.427 10.728 -2.040 718 HB2 GLU 97 1HB GLU 97 11.634 8.746 -1.504 719 HB3 GLU 97 2HB GLU 97 11.668 9.852 -2.870 720 HG2 GLU 97 1HG GLU 97 11.246 11.648 -0.996 721 HG3 GLU 97 2HG GLU 97 11.960 10.408 0.032 722 H VAL 98 H VAL 98 8.324 7.637 -1.789 723 HA VAL 98 HA VAL 98 7.616 6.026 -3.250 724 HB VAL 98 HB VAL 98 7.193 8.328 -5.151 725 HG11 VAL 98 1HG1 VAL 98 6.315 6.703 -6.397 726 HG12 VAL 98 2HG1 VAL 98 6.403 5.540 -5.072 727 HG13 VAL 98 3HG1 VAL 98 5.015 6.621 -5.208 728 HG21 VAL 98 1HG2 VAL 98 4.927 7.640 -3.472 729 HG22 VAL 98 2HG2 VAL 98 6.292 8.252 -2.539 730 HG23 VAL 98 3HG2 VAL 98 5.615 9.220 -3.848 731 H LYS 99 H LYS 99 10.342 6.142 -3.275 732 HA LYS 99 HA LYS 99 11.613 6.581 -5.707 733 HB2 LYS 99 1HB LYS 99 12.464 4.246 -4.065 734 HB3 LYS 99 2HB LYS 99 13.436 5.516 -4.797 735 HG2 LYS 99 1HG LYS 99 12.212 7.020 -3.022 736 HG3 LYS 99 2HG LYS 99 12.011 5.477 -2.189 737 HD2 LYS 99 1HD LYS 99 14.031 6.064 -1.328 738 HD3 LYS 99 2HD LYS 99 14.598 5.274 -2.801 739 HE2 LYS 99 1HE LYS 99 14.256 7.728 -3.771 740 HE3 LYS 99 2HE LYS 99 14.533 8.153 -2.082 741 HZ1 LYS 99 1HZ LYS 99 16.359 6.879 -3.999 742 HZ2 LYS 99 2HZ LYS 99 16.546 6.558 -2.349 743 HZ3 LYS 99 3HZ LYS 99 16.652 8.147 -2.918 744 HA PRO 100 HA PRO 100 9.593 3.431 -8.152 745 HB2 PRO 100 1HB PRO 100 10.872 4.045 -10.466 746 HB3 PRO 100 2HB PRO 100 9.519 4.992 -9.836 747 HG2 PRO 100 1HG PRO 100 12.457 5.529 -9.646 748 HG3 PRO 100 2HG PRO 100 11.135 6.656 -10.001 749 HD2 PRO 100 1HD PRO 100 12.273 6.473 -7.551 750 HD3 PRO 100 2HD PRO 100 10.561 6.880 -7.780 751 H LYS 101 H LYS 101 12.683 3.542 -6.988 752 HA LYS 101 HA LYS 101 13.526 1.146 -8.478 753 HB2 LYS 101 1HB LYS 101 15.047 3.340 -7.115 754 HB3 LYS 101 2HB LYS 101 15.791 1.759 -7.315 755 HG2 LYS 101 1HG LYS 101 15.799 1.920 -9.637 756 HG3 LYS 101 2HG LYS 101 14.589 3.205 -9.645 757 HD2 LYS 101 1HD LYS 101 16.664 4.235 -10.145 758 HD3 LYS 101 2HD LYS 101 16.295 4.650 -8.470 759 HE2 LYS 101 1HE LYS 101 17.775 2.840 -7.715 760 HE3 LYS 101 2HE LYS 101 18.158 2.463 -9.394 761 HZ1 LYS 101 1HZ LYS 101 18.628 5.167 -9.085 762 HZ2 LYS 101 2HZ LYS 101 19.783 3.943 -9.251 763 HZ3 LYS 101 3HZ LYS 101 19.291 4.437 -7.710 764 H MET 102 H MET 102 13.020 2.500 -5.275 765 HA MET 102 HA MET 102 13.757 -0.029 -4.016 766 HB2 MET 102 1HB MET 102 13.130 2.717 -2.964 767 HB3 MET 102 2HB MET 102 13.178 1.323 -1.894 768 HG2 MET 102 1HG MET 102 15.474 1.998 -3.694 769 HG3 MET 102 2HG MET 102 15.282 2.751 -2.113 770 HE1 MET 102 1HE MET 102 16.132 1.786 0.012 771 HE2 MET 102 2HE MET 102 14.588 0.935 0.037 772 HE3 MET 102 3HE MET 102 16.079 0.068 0.408 773 H VAL 103 H VAL 103 10.967 2.163 -4.238 774 HA VAL 103 HA VAL 103 9.124 0.844 -2.708 775 HB VAL 103 HB VAL 103 8.667 2.213 -5.361 776 HG11 VAL 103 1HG1 VAL 103 6.818 0.846 -3.528 777 HG12 VAL 103 2HG1 VAL 103 6.323 2.463 -4.033 778 HG13 VAL 103 3HG1 VAL 103 6.650 1.221 -5.243 779 HG21 VAL 103 1HG2 VAL 103 9.486 3.251 -2.938 780 HG22 VAL 103 2HG2 VAL 103 8.741 4.153 -4.258 781 HG23 VAL 103 3HG2 VAL 103 7.745 3.534 -2.942 782 H MET 104 H MET 104 10.375 -0.092 -5.826 783 HA MET 104 HA MET 104 8.400 -1.952 -6.559 784 HB2 MET 104 1HB MET 104 10.047 -1.170 -8.158 785 HB3 MET 104 2HB MET 104 11.351 -1.876 -7.211 786 HG2 MET 104 1HG MET 104 10.021 -4.094 -7.599 787 HG3 MET 104 2HG MET 104 9.341 -3.201 -8.958 788 HE1 MET 104 1HE MET 104 12.812 -4.276 -7.282 789 HE2 MET 104 2HE MET 104 11.846 -5.607 -7.920 790 HE3 MET 104 3HE MET 104 13.382 -5.187 -8.681 791 H THR 105 H THR 105 11.418 -2.343 -4.732 792 HA THR 105 HA THR 105 11.030 -5.151 -4.318 793 HB THR 105 HB THR 105 13.282 -4.109 -4.330 794 HG1 THR 105 1HG THR 105 14.031 -5.348 -2.569 795 HG21 THR 105 1HG2 THR 105 13.653 -3.198 -1.762 796 HG22 THR 105 2HG2 THR 105 12.078 -2.529 -2.189 797 HG23 THR 105 3HG2 THR 105 13.485 -2.185 -3.195 798 H VAL 106 H VAL 106 9.813 -2.333 -2.850 799 HA VAL 106 HA VAL 106 9.432 -3.407 -0.217 800 HB VAL 106 HB VAL 106 8.276 -0.984 -1.592 801 HG11 VAL 106 1HG1 VAL 106 7.677 -2.187 1.065 802 HG12 VAL 106 2HG1 VAL 106 7.733 -0.429 0.922 803 HG13 VAL 106 3HG1 VAL 106 6.607 -1.360 -0.067 804 HG21 VAL 106 1HG2 VAL 106 9.733 0.234 -0.023 805 HG22 VAL 106 2HG2 VAL 106 10.354 -1.306 0.572 806 HG23 VAL 106 3HG2 VAL 106 10.645 -0.825 -1.100 807 H PHE 107 H PHE 107 7.641 -3.377 -3.198 808 HA PHE 107 HA PHE 107 5.196 -4.292 -1.919 809 HB2 PHE 107 1HB PHE 107 5.959 -3.486 -4.699 810 HB3 PHE 107 2HB PHE 107 4.521 -4.471 -4.454 811 HD1 PHE 107 1HD PHE 107 2.921 -3.571 -2.536 812 HD2 PHE 107 2HD PHE 107 5.711 -1.209 -4.716 813 HE1 PHE 107 1HE PHE 107 1.628 -1.549 -1.994 814 HE2 PHE 107 2HE PHE 107 4.424 0.817 -4.176 815 HZ PHE 107 HZ PHE 107 2.380 0.649 -2.813 816 H ALA 108 H ALA 108 7.648 -5.519 -4.164 817 HA ALA 108 HA ALA 108 6.557 -8.023 -4.681 818 HB1 ALA 108 1HB ALA 108 9.489 -7.920 -4.375 819 HB2 ALA 108 2HB ALA 108 8.505 -8.476 -5.729 820 HB3 ALA 108 3HB ALA 108 8.781 -6.751 -5.490 821 H CYS 109 H CYS 109 8.897 -7.120 -2.148 822 HA CYS 109 HA CYS 109 9.254 -9.558 -0.939 823 HB2 CYS 109 1HB CYS 109 9.309 -6.744 0.037 824 HB3 CYS 109 2HB CYS 109 9.327 -8.026 1.242 825 HG CYS 109 HG CYS 109 11.644 -7.500 -1.218 826 H LEU 110 H LEU 110 6.655 -7.218 -0.328 827 HA LEU 110 HA LEU 110 5.378 -8.624 1.731 828 HB2 LEU 110 1HB LEU 110 4.248 -6.738 -0.329 829 HB3 LEU 110 2HB LEU 110 3.368 -7.307 1.088 830 HG LEU 110 HG LEU 110 5.961 -5.819 1.354 831 HD11 LEU 110 1HD1 LEU 110 4.649 -4.327 0.066 832 HD12 LEU 110 2HD1 LEU 110 4.519 -3.794 1.741 833 HD13 LEU 110 3HD1 LEU 110 3.196 -4.690 0.997 834 HD21 LEU 110 1HD2 LEU 110 3.816 -6.785 3.123 835 HD22 LEU 110 2HD2 LEU 110 4.404 -5.156 3.458 836 HD23 LEU 110 3HD2 LEU 110 5.528 -6.516 3.451 837 H MET 111 H MET 111 5.118 -8.870 -1.769 838 HA MET 111 HA MET 111 2.827 -10.427 -1.980 839 HB2 MET 111 1HB MET 111 4.150 -9.404 -3.866 840 HB3 MET 111 2HB MET 111 5.293 -10.729 -3.697 841 HG2 MET 111 1HG MET 111 3.192 -12.227 -3.990 842 HG3 MET 111 2HG MET 111 2.479 -10.771 -4.681 843 HE1 MET 111 1HE MET 111 3.741 -10.430 -8.051 844 HE2 MET 111 2HE MET 111 2.807 -9.828 -6.681 845 HE3 MET 111 3HE MET 111 4.516 -9.416 -6.833 846 H GLY 112 H GLY 112 6.190 -11.641 -2.020 847 HA2 GLY 112 1HA GLY 112 5.907 -14.293 -2.006 848 HA3 GLY 112 2HA GLY 112 7.052 -13.508 -0.927 849 H ARG 113 H ARG 113 5.447 -12.330 0.928 850 HA ARG 113 HA ARG 113 4.818 -14.463 2.638 851 HB2 ARG 113 1HB ARG 113 4.229 -11.518 2.703 852 HB3 ARG 113 2HB ARG 113 3.582 -12.590 3.938 853 HG2 ARG 113 1HG ARG 113 6.506 -12.584 3.312 854 HG3 ARG 113 2HG ARG 113 5.805 -11.362 4.375 855 HD2 ARG 113 1HD ARG 113 5.000 -13.051 5.879 856 HD3 ARG 113 2HD ARG 113 5.486 -14.332 4.770 857 HE ARG 113 HE ARG 113 7.702 -12.719 5.515 858 HH11 ARG 113 2HH1 ARG 113 5.613 -15.259 6.655 859 HH12 ARG 113 1HH1 ARG 113 6.794 -15.925 7.733 860 HH21 ARG 113 2HH2 ARG 113 9.266 -13.586 6.930 861 HH22 ARG 113 1HH2 ARG 113 8.872 -14.972 7.890 862 H GLY 114 H GLY 114 2.763 -12.402 0.620 863 HA2 GLY 114 1HA GLY 114 0.412 -13.966 1.412 864 HA3 GLY 114 2HA GLY 114 0.391 -12.451 0.523 865 H MET 115 H MET 115 2.745 -14.532 -0.675 866 HA MET 115 HA MET 115 1.433 -14.831 -3.165 867 HB2 MET 115 1HB MET 115 3.991 -14.879 -2.503 868 HB3 MET 115 2HB MET 115 3.706 -16.611 -2.399 869 HG2 MET 115 1HG MET 115 2.934 -15.045 -4.831 870 HG3 MET 115 2HG MET 115 4.573 -15.650 -4.603 871 HE1 MET 115 1HE MET 115 2.251 -15.869 -6.621 872 HE2 MET 115 2HE MET 115 2.662 -17.427 -7.339 873 HE3 MET 115 3HE MET 115 1.152 -17.237 -6.446 874 H LYS 116 H LYS 116 -0.253 -16.115 -3.502 875 HA LYS 116 HA LYS 116 -0.890 -18.339 -1.846 876 HB2 LYS 116 1HB LYS 116 -2.404 -16.789 -3.359 877 HB3 LYS 116 2HB LYS 116 -2.081 -18.025 -4.568 878 HG2 LYS 116 1HG LYS 116 -2.842 -19.673 -2.715 879 HG3 LYS 116 2HG LYS 116 -3.582 -18.241 -1.997 880 HD2 LYS 116 1HD LYS 116 -5.260 -19.223 -3.333 881 HD3 LYS 116 2HD LYS 116 -4.664 -17.844 -4.259 882 HE2 LYS 116 1HE LYS 116 -3.383 -20.490 -4.698 883 HE3 LYS 116 2HE LYS 116 -4.998 -20.233 -5.355 884 HZ1 LYS 116 1HZ LYS 116 -2.539 -19.346 -6.375 885 HZ2 LYS 116 2HZ LYS 116 -3.462 -17.988 -5.971 886 HZ3 LYS 116 3HZ LYS 116 -4.084 -19.147 -7.035 887 H ARG 117 H ARG 117 -0.225 -20.378 -1.976 888 HA ARG 117 HA ARG 117 1.363 -21.187 -4.295 889 HB2 ARG 117 1HB ARG 117 2.017 -21.446 -1.756 890 HB3 ARG 117 2HB ARG 117 1.027 -22.896 -1.865 891 HG2 ARG 117 1HG ARG 117 3.364 -22.288 -3.662 892 HG3 ARG 117 2HG ARG 117 3.438 -23.306 -2.222 893 HD2 ARG 117 1HD ARG 117 3.099 -24.914 -3.804 894 HD3 ARG 117 2HD ARG 117 1.423 -24.526 -3.420 895 HE ARG 117 HE ARG 117 1.178 -23.800 -5.562 896 HH11 ARG 117 2HH1 ARG 117 4.558 -23.672 -4.739 897 HH12 ARG 117 1HH1 ARG 117 5.060 -23.186 -6.324 898 HH21 ARG 117 2HH2 ARG 117 1.826 -23.160 -7.654 899 HH22 ARG 117 1HH2 ARG 117 3.505 -22.894 -7.981 900 H VAL 118 H VAL 118 0.107 -21.960 -5.885 901 HA VAL 118 HA VAL 118 -2.247 -23.548 -5.299 902 HB VAL 118 HB VAL 118 -2.348 -21.934 -7.129 903 HG11 VAL 118 1HG1 VAL 118 -1.074 -22.282 -9.188 904 HG12 VAL 118 2HG1 VAL 118 -0.006 -22.001 -7.811 905 HG13 VAL 118 3HG1 VAL 118 -0.228 -23.635 -8.438 906 HG21 VAL 118 1HG2 VAL 118 -3.710 -24.000 -7.204 907 HG22 VAL 118 2HG2 VAL 118 -3.337 -23.361 -8.804 908 HG23 VAL 118 3HG2 VAL 118 -2.456 -24.757 -8.186 909 H SER 119 H SER 119 -2.337 -25.698 -5.269 910 HA SER 119 HA SER 119 -0.831 -27.412 -6.917 911 HB2 SER 119 1HB SER 119 0.951 -26.581 -5.284 912 HB3 SER 119 2HB SER 119 0.094 -27.496 -4.044 913 HG SER 119 HG SER 119 0.775 -28.775 -6.442 914 H GLY 120 H GLY 120 -1.827 -29.340 -7.014 915 HA2 GLY 120 1HA GLY 120 -3.920 -29.860 -5.015 916 HA3 GLY 120 2HA GLY 120 -3.884 -30.508 -6.648 917 HA PRO 121 HA PRO 121 -2.328 -34.266 -4.993 918 HB2 PRO 121 1HB PRO 121 -1.153 -35.284 -7.218 919 HB3 PRO 121 2HB PRO 121 -2.906 -35.221 -7.002 920 HG2 PRO 121 1HG PRO 121 -1.120 -33.376 -8.541 921 HG3 PRO 121 2HG PRO 121 -2.701 -34.040 -8.994 922 HD2 PRO 121 1HD PRO 121 -2.396 -31.524 -8.039 923 HD3 PRO 121 2HD PRO 121 -3.853 -32.492 -7.732 924 H SER 122 H SER 122 -0.311 -35.495 -4.699 925 HA SER 122 HA SER 122 1.962 -33.668 -4.448 926 HB2 SER 122 1HB SER 122 1.478 -34.714 -2.380 927 HB3 SER 122 2HB SER 122 1.270 -36.294 -3.135 928 HG SER 122 HG SER 122 3.278 -36.219 -2.142 929 H SER 123 H SER 123 3.724 -33.837 -5.673 930 HA SER 123 HA SER 123 3.879 -36.058 -7.572 931 HB2 SER 123 1HB SER 123 5.360 -33.418 -7.494 932 HB3 SER 123 2HB SER 123 5.532 -34.638 -8.756 933 HG SER 123 HG SER 123 3.069 -34.343 -8.817 934 H GLY 124 H GLY 124 5.153 -37.722 -7.127 935 HA2 GLY 124 1HA GLY 124 6.716 -38.207 -5.003 936 HA3 GLY 124 2HA GLY 124 7.118 -38.840 -6.592 Start of MODEL 15 1 H1 GLY 1 H GLY 1 6.513 -21.312 -21.758 2 HA2 GLY 1 1HA GLY 1 5.350 -18.735 -22.042 3 HA3 GLY 1 2HA GLY 1 4.552 -19.626 -20.754 4 H SER 2 H SER 2 7.939 -19.297 -21.821 5 HA SER 2 HA SER 2 8.719 -18.953 -19.024 6 HB2 SER 2 1HB SER 2 10.934 -19.518 -19.693 7 HB3 SER 2 2HB SER 2 9.870 -20.622 -20.564 8 HG SER 2 HG SER 2 11.237 -19.853 -22.083 9 H SER 3 H SER 3 9.126 -17.014 -18.214 10 HA SER 3 HA SER 3 9.743 -14.815 -20.077 11 HB2 SER 3 1HB SER 3 8.066 -14.918 -17.594 12 HB3 SER 3 2HB SER 3 8.842 -13.403 -18.056 13 HG SER 3 HG SER 3 7.780 -13.568 -20.075 14 H GLY 4 H GLY 4 11.207 -13.175 -19.342 15 HA2 GLY 4 1HA GLY 4 13.484 -14.241 -18.011 16 HA3 GLY 4 2HA GLY 4 13.270 -12.573 -18.522 17 H SER 5 H SER 5 14.551 -13.261 -16.146 18 HA SER 5 HA SER 5 12.648 -12.893 -13.985 19 HB2 SER 5 1HB SER 5 14.545 -13.177 -12.503 20 HB3 SER 5 2HB SER 5 14.609 -14.421 -13.751 21 HG SER 5 HG SER 5 16.280 -12.239 -13.317 22 H SER 6 H SER 6 15.346 -11.122 -15.458 23 HA SER 6 HA SER 6 15.228 -8.874 -13.767 24 HB2 SER 6 1HB SER 6 17.137 -9.452 -15.288 25 HB3 SER 6 2HB SER 6 16.149 -8.923 -16.650 26 HG SER 6 HG SER 6 16.317 -7.120 -14.574 27 H GLY 7 H GLY 7 13.198 -8.047 -13.482 28 HA2 GLY 7 1HA GLY 7 12.179 -6.026 -14.883 29 HA3 GLY 7 2HA GLY 7 11.566 -7.391 -15.804 30 H ASN 8 H ASN 8 9.641 -8.149 -15.238 31 HA ASN 8 HA ASN 8 7.639 -8.248 -14.130 32 HB2 ASN 8 1HB ASN 8 9.531 -8.942 -11.871 33 HB3 ASN 8 2HB ASN 8 7.806 -9.296 -11.901 34 HD21 ASN 8 1HD2 ASN 8 8.461 -11.504 -11.599 35 HD22 ASN 8 2HD2 ASN 8 8.949 -12.447 -12.961 36 H ASP 9 H ASP 9 8.263 -5.651 -14.378 37 HA ASP 9 HA ASP 9 8.226 -4.324 -11.810 38 HB2 ASP 9 1HB ASP 9 7.687 -2.926 -14.407 39 HB3 ASP 9 2HB ASP 9 8.525 -2.331 -12.976 40 H ASP 10 H ASP 10 5.989 -4.787 -14.524 41 HA ASP 10 HA ASP 10 3.846 -3.381 -13.243 42 HB2 ASP 10 1HB ASP 10 3.550 -5.332 -15.521 43 HB3 ASP 10 2HB ASP 10 2.541 -3.940 -15.140 44 H ILE 11 H ILE 11 4.740 -6.770 -13.667 45 HA ILE 11 HA ILE 11 2.527 -8.112 -12.840 46 HB ILE 11 HB ILE 11 5.343 -8.715 -11.928 47 HG12 ILE 11 1HG1 ILE 11 5.102 -8.492 -14.386 48 HG13 ILE 11 2HG1 ILE 11 5.493 -10.136 -13.894 49 HG21 ILE 11 1HG2 ILE 11 4.419 -10.377 -10.778 50 HG22 ILE 11 2HG2 ILE 11 2.822 -10.010 -11.426 51 HG23 ILE 11 3HG2 ILE 11 3.908 -11.079 -12.313 52 HD11 ILE 11 1HD1 ILE 11 3.180 -10.793 -14.182 53 HD12 ILE 11 2HD1 ILE 11 2.748 -9.138 -14.613 54 HD13 ILE 11 3HD1 ILE 11 3.813 -10.074 -15.662 55 H ILE 12 H ILE 12 5.002 -6.749 -10.669 56 HA ILE 12 HA ILE 12 3.882 -7.465 -8.243 57 HB ILE 12 HB ILE 12 5.357 -4.902 -8.858 58 HG12 ILE 12 1HG1 ILE 12 6.531 -7.419 -7.696 59 HG13 ILE 12 2HG1 ILE 12 6.444 -7.169 -9.436 60 HG21 ILE 12 1HG2 ILE 12 4.068 -5.048 -6.677 61 HG22 ILE 12 2HG2 ILE 12 5.198 -6.320 -6.214 62 HG23 ILE 12 3HG2 ILE 12 5.791 -4.694 -6.552 63 HD11 ILE 12 1HD1 ILE 12 7.783 -5.247 -7.556 64 HD12 ILE 12 2HD1 ILE 12 8.622 -6.567 -8.372 65 HD13 ILE 12 3HD1 ILE 12 7.871 -5.281 -9.317 66 H VAL 13 H VAL 13 3.384 -4.427 -10.040 67 HA VAL 13 HA VAL 13 1.601 -3.198 -8.322 68 HB VAL 13 HB VAL 13 1.556 -3.085 -11.341 69 HG11 VAL 13 1HG1 VAL 13 0.242 -1.189 -11.211 70 HG12 VAL 13 2HG1 VAL 13 -0.436 -2.192 -9.928 71 HG13 VAL 13 3HG1 VAL 13 0.672 -0.878 -9.530 72 HG21 VAL 13 1HG2 VAL 13 2.879 -0.964 -10.924 73 HG22 VAL 13 2HG2 VAL 13 3.125 -1.554 -9.280 74 HG23 VAL 13 3HG2 VAL 13 3.734 -2.482 -10.650 75 H ASN 14 H ASN 14 0.944 -5.547 -10.889 76 HA ASN 14 HA ASN 14 -1.846 -5.473 -10.805 77 HB2 ASN 14 1HB ASN 14 0.117 -7.623 -11.572 78 HB3 ASN 14 2HB ASN 14 -1.620 -7.908 -11.633 79 HD21 ASN 14 1HD2 ASN 14 0.101 -8.004 -13.849 80 HD22 ASN 14 2HD2 ASN 14 -0.349 -6.738 -14.935 81 H TRP 15 H TRP 15 0.470 -7.293 -8.865 82 HA TRP 15 HA TRP 15 -1.464 -8.875 -7.509 83 HB2 TRP 15 1HB TRP 15 0.991 -9.402 -7.700 84 HB3 TRP 15 2HB TRP 15 1.294 -8.128 -6.523 85 HD1 TRP 15 HD TRP 15 -0.187 -11.646 -6.811 86 HE1 TRP 15 1HE TRP 15 -0.387 -12.649 -4.449 87 HE3 TRP 15 3HE TRP 15 1.037 -7.510 -4.068 88 HZ2 TRP 15 2HZ TRP 15 -0.069 -11.798 -1.776 89 HZ3 TRP 15 3HZ TRP 15 1.065 -7.688 -1.614 90 HH2 TRP 15 HH TRP 15 0.523 -9.788 -0.494 91 H VAL 16 H VAL 16 0.228 -5.866 -6.690 92 HA VAL 16 HA VAL 16 -0.634 -5.479 -4.107 93 HB VAL 16 HB VAL 16 -0.317 -3.376 -6.252 94 HG11 VAL 16 1HG1 VAL 16 -1.620 -2.548 -4.355 95 HG12 VAL 16 2HG1 VAL 16 -0.348 -3.074 -3.250 96 HG13 VAL 16 3HG1 VAL 16 -0.028 -1.793 -4.420 97 HG21 VAL 16 1HG2 VAL 16 1.879 -3.105 -4.813 98 HG22 VAL 16 2HG2 VAL 16 1.573 -4.804 -4.453 99 HG23 VAL 16 3HG2 VAL 16 1.780 -4.280 -6.124 100 H ASN 17 H ASN 17 -2.376 -4.846 -7.111 101 HA ASN 17 HA ASN 17 -4.618 -3.615 -5.831 102 HB2 ASN 17 1HB ASN 17 -4.033 -4.597 -8.603 103 HB3 ASN 17 2HB ASN 17 -5.685 -4.183 -8.155 104 HD21 ASN 17 1HD2 ASN 17 -2.439 -2.822 -7.673 105 HD22 ASN 17 2HD2 ASN 17 -2.867 -1.209 -8.121 106 H ARG 18 H ARG 18 -3.948 -6.844 -7.131 107 HA ARG 18 HA ARG 18 -6.457 -7.985 -6.768 108 HB2 ARG 18 1HB ARG 18 -4.305 -8.938 -7.872 109 HB3 ARG 18 2HB ARG 18 -3.941 -9.541 -6.261 110 HG2 ARG 18 1HG ARG 18 -5.011 -11.346 -7.161 111 HG3 ARG 18 2HG ARG 18 -6.370 -10.508 -6.407 112 HD2 ARG 18 1HD ARG 18 -6.782 -9.397 -8.620 113 HD3 ARG 18 2HD ARG 18 -5.570 -10.475 -9.311 114 HE ARG 18 HE ARG 18 -7.073 -12.214 -9.181 115 HH11 ARG 18 2HH1 ARG 18 -8.289 -9.463 -7.429 116 HH12 ARG 18 1HH1 ARG 18 -9.875 -10.131 -7.222 117 HH21 ARG 18 2HH2 ARG 18 -9.157 -13.105 -8.915 118 HH22 ARG 18 1HH2 ARG 18 -10.366 -12.203 -8.066 119 H THR 19 H THR 19 -3.661 -8.252 -4.564 120 HA THR 19 HA THR 19 -4.859 -9.554 -2.470 121 HB THR 19 HB THR 19 -2.830 -7.324 -2.220 122 HG1 THR 19 1HG THR 19 -2.075 -8.968 -3.583 123 HG21 THR 19 1HG2 THR 19 -3.977 -9.275 -0.311 124 HG22 THR 19 2HG2 THR 19 -3.320 -7.663 -0.028 125 HG23 THR 19 3HG2 THR 19 -2.232 -9.034 -0.240 126 H LEU 20 H LEU 20 -4.908 -6.082 -3.159 127 HA LEU 20 HA LEU 20 -6.166 -5.210 -0.826 128 HB2 LEU 20 1HB LEU 20 -6.139 -4.162 -3.637 129 HB3 LEU 20 2HB LEU 20 -7.040 -3.348 -2.359 130 HG LEU 20 HG LEU 20 -4.085 -3.887 -2.173 131 HD11 LEU 20 1HD1 LEU 20 -4.408 -1.190 -2.658 132 HD12 LEU 20 2HD1 LEU 20 -5.496 -1.956 -3.815 133 HD13 LEU 20 3HD1 LEU 20 -3.787 -2.389 -3.792 134 HD21 LEU 20 1HD2 LEU 20 -5.204 -3.434 -0.068 135 HD22 LEU 20 2HD2 LEU 20 -5.934 -1.978 -0.746 136 HD23 LEU 20 3HD2 LEU 20 -4.186 -2.068 -0.525 137 H SER 21 H SER 21 -7.582 -6.241 -3.917 138 HA SER 21 HA SER 21 -10.270 -5.819 -3.184 139 HB2 SER 21 1HB SER 21 -9.583 -6.085 -5.522 140 HB3 SER 21 2HB SER 21 -9.113 -7.755 -5.207 141 HG SER 21 HG SER 21 -11.164 -7.761 -6.080 142 H GLU 22 H GLU 22 -8.248 -8.742 -3.115 143 HA GLU 22 HA GLU 22 -9.886 -10.722 -2.413 144 HB2 GLU 22 1HB GLU 22 -7.200 -9.966 -1.352 145 HB3 GLU 22 2HB GLU 22 -8.054 -11.302 -0.594 146 HG2 GLU 22 1HG GLU 22 -8.294 -12.277 -2.922 147 HG3 GLU 22 2HG GLU 22 -7.120 -11.066 -3.434 148 H ALA 23 H ALA 23 -8.861 -8.161 -0.186 149 HA ALA 23 HA ALA 23 -10.663 -9.171 1.873 150 HB1 ALA 23 1HB ALA 23 -9.683 -7.100 3.107 151 HB2 ALA 23 2HB ALA 23 -8.681 -8.532 2.866 152 HB3 ALA 23 3HB ALA 23 -8.484 -7.129 1.815 153 H GLY 24 H GLY 24 -10.152 -6.201 -0.021 154 HA2 GLY 24 1HA GLY 24 -12.185 -5.191 -0.990 155 HA3 GLY 24 2HA GLY 24 -12.962 -5.490 0.558 156 H LYS 25 H LYS 25 -9.757 -4.144 -0.161 157 HA LYS 25 HA LYS 25 -10.188 -2.002 1.709 158 HB2 LYS 25 1HB LYS 25 -7.900 -2.586 -0.178 159 HB3 LYS 25 2HB LYS 25 -7.901 -1.288 1.008 160 HG2 LYS 25 1HG LYS 25 -8.239 -4.189 1.725 161 HG3 LYS 25 2HG LYS 25 -6.681 -3.361 1.691 162 HD2 LYS 25 1HD LYS 25 -7.249 -1.967 3.476 163 HD3 LYS 25 2HD LYS 25 -8.977 -2.273 3.285 164 HE2 LYS 25 1HE LYS 25 -7.120 -4.513 3.981 165 HE3 LYS 25 2HE LYS 25 -7.667 -3.398 5.233 166 HZ1 LYS 25 1HZ LYS 25 -9.553 -4.521 5.355 167 HZ2 LYS 25 2HZ LYS 25 -9.032 -5.585 4.148 168 HZ3 LYS 25 3HZ LYS 25 -9.890 -4.188 3.730 169 H SER 26 H SER 26 -9.777 0.281 1.115 170 HA SER 26 HA SER 26 -11.041 0.897 -1.471 171 HB2 SER 26 1HB SER 26 -12.168 1.592 0.731 172 HB3 SER 26 2HB SER 26 -10.877 2.784 0.875 173 HG SER 26 HG SER 26 -12.801 2.555 -1.194 174 H THR 27 H THR 27 -8.193 0.383 -1.053 175 HA THR 27 HA THR 27 -7.175 2.947 -2.065 176 HB THR 27 HB THR 27 -4.999 2.464 -0.885 177 HG1 THR 27 1HG THR 27 -6.594 0.392 0.118 178 HG21 THR 27 1HG2 THR 27 -6.266 4.205 0.043 179 HG22 THR 27 2HG2 THR 27 -5.939 3.138 1.409 180 HG23 THR 27 3HG2 THR 27 -7.517 3.105 0.622 181 H SER 28 H SER 28 -5.233 2.748 -3.372 182 HA SER 28 HA SER 28 -4.169 0.266 -4.183 183 HB2 SER 28 1HB SER 28 -6.516 0.178 -5.190 184 HB3 SER 28 2HB SER 28 -5.991 1.474 -6.265 185 HG SER 28 HG SER 28 -5.320 -0.150 -7.434 186 H ILE 29 H ILE 29 -2.720 0.488 -6.081 187 HA ILE 29 HA ILE 29 -1.923 3.281 -6.556 188 HB ILE 29 HB ILE 29 0.451 2.548 -6.537 189 HG12 ILE 29 1HG1 ILE 29 -0.398 0.083 -5.058 190 HG13 ILE 29 2HG1 ILE 29 -0.333 0.060 -6.817 191 HG21 ILE 29 1HG2 ILE 29 0.411 3.412 -4.495 192 HG22 ILE 29 2HG2 ILE 29 -1.289 2.977 -4.324 193 HG23 ILE 29 3HG2 ILE 29 -0.034 1.834 -3.846 194 HD11 ILE 29 1HD1 ILE 29 2.034 0.775 -6.682 195 HD12 ILE 29 2HD1 ILE 29 1.936 0.621 -4.928 196 HD13 ILE 29 3HD1 ILE 29 1.719 -0.799 -5.951 197 H GLN 30 H GLN 30 -0.848 3.685 -8.545 198 HA GLN 30 HA GLN 30 -1.716 1.909 -10.665 199 HB2 GLN 30 1HB GLN 30 -0.287 4.569 -10.820 200 HB3 GLN 30 2HB GLN 30 -0.998 3.701 -12.175 201 HG2 GLN 30 1HG GLN 30 -2.533 4.751 -9.809 202 HG3 GLN 30 2HG GLN 30 -2.391 5.564 -11.367 203 HE21 GLN 30 1HE2 GLN 30 -3.958 5.209 -12.758 204 HE22 GLN 30 2HE2 GLN 30 -5.032 3.856 -12.761 205 H SER 31 H SER 31 1.318 3.174 -9.358 206 HA SER 31 HA SER 31 2.777 0.859 -10.079 207 HB2 SER 31 1HB SER 31 4.084 1.576 -11.891 208 HB3 SER 31 2HB SER 31 2.466 2.138 -12.312 209 HG SER 31 HG SER 31 4.526 3.613 -12.299 210 H PHE 32 H PHE 32 5.282 1.454 -9.954 211 HA PHE 32 HA PHE 32 5.708 2.413 -7.336 212 HB2 PHE 32 1HB PHE 32 7.758 2.046 -9.530 213 HB3 PHE 32 2HB PHE 32 8.079 2.121 -7.800 214 HD1 PHE 32 1HD PHE 32 5.864 0.406 -6.799 215 HD2 PHE 32 2HD PHE 32 8.510 -0.085 -10.096 216 HE1 PHE 32 1HE PHE 32 5.599 -2.036 -6.644 217 HE2 PHE 32 2HE PHE 32 8.249 -2.527 -9.947 218 HZ PHE 32 HZ PHE 32 6.791 -3.505 -8.220 219 H LYS 33 H LYS 33 5.080 4.103 -10.115 220 HA LYS 33 HA LYS 33 6.539 6.478 -9.159 221 HB2 LYS 33 1HB LYS 33 5.757 5.591 -11.922 222 HB3 LYS 33 2HB LYS 33 6.071 7.287 -11.578 223 HG2 LYS 33 1HG LYS 33 8.320 6.636 -10.738 224 HG3 LYS 33 2HG LYS 33 7.990 4.988 -11.279 225 HD2 LYS 33 1HD LYS 33 7.683 7.264 -13.192 226 HD3 LYS 33 2HD LYS 33 9.294 6.642 -12.825 227 HE2 LYS 33 1HE LYS 33 8.089 4.326 -13.297 228 HE3 LYS 33 2HE LYS 33 7.032 5.356 -14.260 229 HZ1 LYS 33 1HZ LYS 33 9.971 5.063 -14.548 230 HZ2 LYS 33 2HZ LYS 33 9.044 6.198 -15.392 231 HZ3 LYS 33 3HZ LYS 33 8.786 4.545 -15.639 232 H ASP 34 H ASP 34 4.007 5.582 -8.123 233 HA ASP 34 HA ASP 34 2.134 7.570 -9.196 234 HB2 ASP 34 1HB ASP 34 1.500 5.095 -8.846 235 HB3 ASP 34 2HB ASP 34 1.463 5.487 -7.129 236 H LYS 35 H LYS 35 1.069 9.039 -7.819 237 HA LYS 35 HA LYS 35 2.697 9.892 -5.572 238 HB2 LYS 35 1HB LYS 35 0.214 11.167 -6.735 239 HB3 LYS 35 2HB LYS 35 1.328 11.906 -5.593 240 HG2 LYS 35 1HG LYS 35 2.246 10.969 -8.287 241 HG3 LYS 35 2HG LYS 35 1.518 12.560 -8.054 242 HD2 LYS 35 1HD LYS 35 3.247 13.247 -6.600 243 HD3 LYS 35 2HD LYS 35 3.846 11.598 -6.411 244 HE2 LYS 35 1HE LYS 35 5.262 12.990 -7.890 245 HE3 LYS 35 2HE LYS 35 4.612 11.562 -8.693 246 HZ1 LYS 35 1HZ LYS 35 4.472 13.582 -10.059 247 HZ2 LYS 35 2HZ LYS 35 3.456 14.289 -8.907 248 HZ3 LYS 35 3HZ LYS 35 2.950 12.912 -9.749 249 H THR 36 H THR 36 1.019 7.444 -5.432 250 HA THR 36 HA THR 36 -0.848 8.219 -3.296 251 HB THR 36 HB THR 36 -1.800 5.923 -3.581 252 HG1 THR 36 1HG THR 36 -0.497 5.746 -6.063 253 HG21 THR 36 1HG2 THR 36 -2.953 6.411 -5.702 254 HG22 THR 36 2HG2 THR 36 -1.768 7.670 -6.045 255 HG23 THR 36 3HG2 THR 36 -2.853 7.833 -4.665 256 H ILE 37 H ILE 37 1.985 6.325 -4.026 257 HA ILE 37 HA ILE 37 2.030 4.725 -1.702 258 HB ILE 37 HB ILE 37 4.386 5.690 -3.326 259 HG12 ILE 37 1HG1 ILE 37 3.048 3.016 -3.614 260 HG13 ILE 37 2HG1 ILE 37 2.438 4.417 -4.489 261 HG21 ILE 37 1HG2 ILE 37 4.125 3.271 -1.546 262 HG22 ILE 37 2HG2 ILE 37 5.561 3.780 -2.433 263 HG23 ILE 37 3HG2 ILE 37 4.950 4.766 -1.105 264 HD11 ILE 37 1HD1 ILE 37 5.288 4.174 -4.801 265 HD12 ILE 37 2HD1 ILE 37 4.461 2.690 -5.279 266 HD13 ILE 37 3HD1 ILE 37 4.018 4.226 -6.024 267 H SER 38 H SER 38 3.129 7.986 -2.372 268 HA SER 38 HA SER 38 4.797 8.417 -0.192 269 HB2 SER 38 1HB SER 38 4.368 10.788 -0.509 270 HB3 SER 38 2HB SER 38 4.481 10.004 -2.084 271 HG SER 38 HG SER 38 2.672 11.492 -1.789 272 H SER 39 H SER 39 1.303 8.370 -0.392 273 HA SER 39 HA SER 39 0.871 9.490 2.209 274 HB2 SER 39 1HB SER 39 -1.416 9.188 1.804 275 HB3 SER 39 2HB SER 39 -0.756 9.417 0.185 276 HG SER 39 HG SER 39 -0.823 7.190 -0.117 277 H SER 40 H SER 40 1.567 6.355 0.968 278 HA SER 40 HA SER 40 1.849 4.321 1.947 279 HB2 SER 40 1HB SER 40 1.852 5.841 4.563 280 HB3 SER 40 2HB SER 40 2.560 4.256 4.255 281 HG SER 40 HG SER 40 3.516 6.778 3.643 282 H LEU 41 H LEU 41 -0.853 5.466 1.575 283 HA LEU 41 HA LEU 41 -2.406 4.364 3.766 284 HB2 LEU 41 1HB LEU 41 -3.258 5.627 1.164 285 HB3 LEU 41 2HB LEU 41 -4.349 5.136 2.457 286 HG LEU 41 HG LEU 41 -2.215 7.246 2.747 287 HD11 LEU 41 1HD1 LEU 41 -3.622 8.816 2.006 288 HD12 LEU 41 2HD1 LEU 41 -5.014 8.077 2.797 289 HD13 LEU 41 3HD1 LEU 41 -4.474 7.482 1.227 290 HD21 LEU 41 1HD2 LEU 41 -4.373 6.170 4.523 291 HD22 LEU 41 2HD2 LEU 41 -3.783 7.821 4.716 292 HD23 LEU 41 3HD2 LEU 41 -2.672 6.461 4.885 293 H ALA 42 H ALA 42 -1.579 3.587 0.444 294 HA ALA 42 HA ALA 42 -3.400 1.375 0.257 295 HB1 ALA 42 1HB ALA 42 -2.816 2.501 -1.765 296 HB2 ALA 42 2HB ALA 42 -1.095 2.242 -1.477 297 HB3 ALA 42 3HB ALA 42 -2.143 0.872 -1.842 298 H VAL 43 H VAL 43 0.057 1.773 0.888 299 HA VAL 43 HA VAL 43 0.798 -0.923 0.856 300 HB VAL 43 HB VAL 43 1.963 1.267 2.582 301 HG11 VAL 43 1HG1 VAL 43 3.881 -0.632 1.692 302 HG12 VAL 43 2HG1 VAL 43 3.382 -0.261 3.343 303 HG13 VAL 43 3HG1 VAL 43 2.536 -1.506 2.423 304 HG21 VAL 43 1HG2 VAL 43 3.162 2.028 0.816 305 HG22 VAL 43 2HG2 VAL 43 3.258 0.440 0.054 306 HG23 VAL 43 3HG2 VAL 43 1.783 1.398 -0.086 307 H VAL 44 H VAL 44 -0.195 1.120 3.599 308 HA VAL 44 HA VAL 44 -0.001 -0.811 5.601 309 HB VAL 44 HB VAL 44 -1.881 1.542 5.391 310 HG11 VAL 44 1HG1 VAL 44 -2.353 1.311 7.708 311 HG12 VAL 44 2HG1 VAL 44 -2.636 -0.267 6.970 312 HG13 VAL 44 3HG1 VAL 44 -1.160 0.026 7.890 313 HG21 VAL 44 1HG2 VAL 44 -0.297 2.756 6.636 314 HG22 VAL 44 2HG2 VAL 44 0.606 1.302 7.063 315 HG23 VAL 44 3HG2 VAL 44 0.639 1.906 5.406 316 H ASP 45 H ASP 45 -2.734 0.028 3.504 317 HA ASP 45 HA ASP 45 -4.594 -1.741 4.672 318 HB2 ASP 45 1HB ASP 45 -4.406 -0.324 2.039 319 HB3 ASP 45 2HB ASP 45 -5.647 -1.551 2.277 320 H LEU 46 H LEU 46 -2.136 -2.162 2.214 321 HA LEU 46 HA LEU 46 -2.986 -4.603 1.138 322 HB2 LEU 46 1HB LEU 46 -1.260 -3.273 0.094 323 HB3 LEU 46 2HB LEU 46 -0.205 -3.497 1.488 324 HG LEU 46 HG LEU 46 -0.353 -6.013 0.894 325 HD11 LEU 46 1HD1 LEU 46 -1.848 -6.355 -0.760 326 HD12 LEU 46 2HD1 LEU 46 -0.471 -5.962 -1.788 327 HD13 LEU 46 3HD1 LEU 46 -1.670 -4.725 -1.410 328 HD21 LEU 46 1HD2 LEU 46 1.196 -3.902 -0.560 329 HD22 LEU 46 2HD2 LEU 46 1.428 -5.612 -0.928 330 HD23 LEU 46 3HD2 LEU 46 1.734 -5.011 0.702 331 H ILE 47 H ILE 47 -0.792 -3.924 3.848 332 HA ILE 47 HA ILE 47 -0.067 -6.527 4.479 333 HB ILE 47 HB ILE 47 -0.494 -4.195 6.348 334 HG12 ILE 47 1HG1 ILE 47 2.157 -5.250 5.421 335 HG13 ILE 47 2HG1 ILE 47 1.239 -4.160 4.388 336 HG21 ILE 47 1HG2 ILE 47 0.401 -6.969 6.815 337 HG22 ILE 47 2HG2 ILE 47 1.346 -5.699 7.591 338 HG23 ILE 47 3HG2 ILE 47 -0.384 -5.828 7.907 339 HD11 ILE 47 1HD1 ILE 47 2.366 -3.623 7.114 340 HD12 ILE 47 2HD1 ILE 47 2.741 -2.816 5.591 341 HD13 ILE 47 3HD1 ILE 47 1.169 -2.575 6.352 342 H ASP 48 H ASP 48 -2.845 -4.648 5.649 343 HA ASP 48 HA ASP 48 -3.928 -6.355 7.484 344 HB2 ASP 48 1HB ASP 48 -4.841 -4.117 6.839 345 HB3 ASP 48 2HB ASP 48 -5.538 -4.863 5.404 346 H ALA 49 H ALA 49 -4.611 -6.414 3.985 347 HA ALA 49 HA ALA 49 -6.319 -8.536 3.830 348 HB1 ALA 49 1HB ALA 49 -5.167 -9.015 1.586 349 HB2 ALA 49 2HB ALA 49 -5.883 -7.421 1.829 350 HB3 ALA 49 3HB ALA 49 -4.139 -7.636 1.978 351 H ILE 50 H ILE 50 -2.762 -8.742 3.782 352 HA ILE 50 HA ILE 50 -2.652 -11.562 3.704 353 HB ILE 50 HB ILE 50 -0.580 -9.626 4.745 354 HG12 ILE 50 1HG1 ILE 50 -0.503 -10.944 2.055 355 HG13 ILE 50 2HG1 ILE 50 -1.489 -9.504 2.286 356 HG21 ILE 50 1HG2 ILE 50 0.064 -12.310 3.622 357 HG22 ILE 50 2HG2 ILE 50 0.960 -11.328 4.780 358 HG23 ILE 50 3HG2 ILE 50 -0.493 -12.188 5.291 359 HD11 ILE 50 1HD1 ILE 50 1.398 -9.549 3.068 360 HD12 ILE 50 2HD1 ILE 50 0.892 -9.216 1.411 361 HD13 ILE 50 3HD1 ILE 50 0.360 -8.165 2.723 362 H GLN 51 H GLN 51 -2.094 -9.315 6.419 363 HA GLN 51 HA GLN 51 -3.011 -11.434 8.240 364 HB2 GLN 51 1HB GLN 51 -0.618 -11.417 8.443 365 HB3 GLN 51 2HB GLN 51 -0.588 -9.664 8.570 366 HG2 GLN 51 1HG GLN 51 -0.321 -10.258 10.756 367 HG3 GLN 51 2HG GLN 51 -2.074 -10.084 10.675 368 HE21 GLN 51 1HE2 GLN 51 0.205 -11.910 11.978 369 HE22 GLN 51 2HE2 GLN 51 -0.581 -13.448 12.012 370 HA PRO 52 HA PRO 52 -5.450 -7.596 8.958 371 HB2 PRO 52 1HB PRO 52 -7.776 -8.911 9.437 372 HB3 PRO 52 2HB PRO 52 -7.225 -8.495 7.810 373 HG2 PRO 52 1HG PRO 52 -7.019 -11.100 9.271 374 HG3 PRO 52 2HG PRO 52 -7.463 -10.797 7.581 375 HD2 PRO 52 1HD PRO 52 -4.988 -11.617 8.313 376 HD3 PRO 52 2HD PRO 52 -5.269 -10.557 6.916 377 H GLY 53 H GLY 53 -6.743 -6.980 10.885 378 HA2 GLY 53 1HA GLY 53 -7.314 -7.152 13.150 379 HA3 GLY 53 2HA GLY 53 -6.422 -8.663 13.238 380 H CYS 54 H CYS 54 -4.056 -7.401 11.944 381 HA CYS 54 HA CYS 54 -2.896 -6.345 14.382 382 HB2 CYS 54 1HB CYS 54 -0.776 -6.619 13.316 383 HB3 CYS 54 2HB CYS 54 -1.738 -8.036 12.912 384 HG CYS 54 HG CYS 54 -0.727 -7.750 10.517 385 H ILE 55 H ILE 55 -3.773 -5.228 11.175 386 HA ILE 55 HA ILE 55 -2.471 -2.703 11.356 387 HB ILE 55 HB ILE 55 -4.788 -3.548 9.612 388 HG12 ILE 55 1HG1 ILE 55 -2.656 -4.846 9.346 389 HG13 ILE 55 2HG1 ILE 55 -3.153 -3.970 7.902 390 HG21 ILE 55 1HG2 ILE 55 -4.935 -1.418 9.006 391 HG22 ILE 55 2HG2 ILE 55 -3.576 -0.988 10.043 392 HG23 ILE 55 3HG2 ILE 55 -3.287 -1.519 8.387 393 HD11 ILE 55 1HD1 ILE 55 -0.688 -3.919 8.555 394 HD12 ILE 55 2HD1 ILE 55 -1.461 -2.388 8.141 395 HD13 ILE 55 3HD1 ILE 55 -1.183 -2.807 9.832 396 H ASN 56 H ASN 56 -3.024 -1.030 12.572 397 HA ASN 56 HA ASN 56 -5.837 -0.768 13.411 398 HB2 ASN 56 1HB ASN 56 -3.892 -1.222 15.136 399 HB3 ASN 56 2HB ASN 56 -3.616 0.508 14.956 400 HD21 ASN 56 1HD2 ASN 56 -4.288 1.196 16.906 401 HD22 ASN 56 2HD2 ASN 56 -5.900 1.018 17.501 402 H TYR 57 H TYR 57 -6.650 0.658 11.967 403 HA TYR 57 HA TYR 57 -5.260 2.802 10.807 404 HB2 TYR 57 1HB TYR 57 -8.218 2.334 11.201 405 HB3 TYR 57 2HB TYR 57 -7.565 3.671 10.260 406 HD1 TYR 57 2HD TYR 57 -5.467 2.574 8.680 407 HD2 TYR 57 1HD TYR 57 -9.145 0.754 9.803 408 HE1 TYR 57 2HE TYR 57 -5.348 1.124 6.697 409 HE2 TYR 57 1HE TYR 57 -9.036 -0.702 7.823 410 HH TYR 57 HH TYR 57 -7.296 -1.598 6.291 411 H ASP 58 H ASP 58 -7.186 2.570 13.740 412 HA ASP 58 HA ASP 58 -7.754 5.074 14.482 413 HB2 ASP 58 1HB ASP 58 -7.971 3.014 15.909 414 HB3 ASP 58 2HB ASP 58 -6.271 3.200 16.332 415 H LEU 59 H LEU 59 -4.513 3.733 14.297 416 HA LEU 59 HA LEU 59 -3.340 6.208 15.296 417 HB2 LEU 59 1HB LEU 59 -1.926 3.740 14.309 418 HB3 LEU 59 2HB LEU 59 -1.245 5.051 15.271 419 HG LEU 59 HG LEU 59 -3.378 3.160 16.255 420 HD11 LEU 59 1HD1 LEU 59 -0.695 2.976 17.402 421 HD12 LEU 59 2HD1 LEU 59 -0.799 2.458 15.719 422 HD13 LEU 59 3HD1 LEU 59 -1.825 1.703 16.939 423 HD21 LEU 59 1HD2 LEU 59 -2.978 5.556 17.229 424 HD22 LEU 59 2HD2 LEU 59 -1.573 4.795 17.977 425 HD23 LEU 59 3HD2 LEU 59 -3.192 4.176 18.307 426 H VAL 60 H VAL 60 -3.547 4.312 12.328 427 HA VAL 60 HA VAL 60 -1.764 5.792 10.757 428 HB VAL 60 HB VAL 60 -4.265 4.351 9.860 429 HG11 VAL 60 1HG1 VAL 60 -1.835 4.811 8.175 430 HG12 VAL 60 2HG1 VAL 60 -3.490 4.448 7.679 431 HG13 VAL 60 3HG1 VAL 60 -3.085 6.049 8.299 432 HG21 VAL 60 1HG2 VAL 60 -1.775 3.392 10.915 433 HG22 VAL 60 2HG2 VAL 60 -3.201 2.481 10.421 434 HG23 VAL 60 3HG2 VAL 60 -1.956 2.880 9.238 435 H LYS 61 H LYS 61 -1.962 7.590 9.497 436 HA LYS 61 HA LYS 61 -4.255 9.306 10.064 437 HB2 LYS 61 1HB LYS 61 -1.475 9.760 9.056 438 HB3 LYS 61 2HB LYS 61 -2.718 10.953 8.700 439 HG2 LYS 61 1HG LYS 61 -2.355 10.026 11.508 440 HG3 LYS 61 2HG LYS 61 -1.214 11.184 10.820 441 HD2 LYS 61 1HD LYS 61 -4.136 11.686 10.509 442 HD3 LYS 61 2HD LYS 61 -3.382 11.994 12.075 443 HE2 LYS 61 1HE LYS 61 -2.105 13.066 9.601 444 HE3 LYS 61 2HE LYS 61 -3.525 13.879 10.256 445 HZ1 LYS 61 1HZ LYS 61 -2.330 14.753 11.895 446 HZ2 LYS 61 2HZ LYS 61 -0.948 14.262 11.053 447 HZ3 LYS 61 3HZ LYS 61 -1.588 13.279 12.272 448 H SER 62 H SER 62 -4.674 10.873 8.050 449 HA SER 62 HA SER 62 -4.578 9.710 5.464 450 HB2 SER 62 1HB SER 62 -7.017 9.295 5.194 451 HB3 SER 62 2HB SER 62 -6.262 8.195 6.348 452 HG SER 62 HG SER 62 -7.132 9.386 8.022 453 H GLY 63 H GLY 63 -5.952 10.963 3.888 454 HA2 GLY 63 1HA GLY 63 -6.921 12.938 3.131 455 HA3 GLY 63 2HA GLY 63 -6.911 13.543 4.781 456 H ASN 64 H ASN 64 -5.616 15.209 5.127 457 HA ASN 64 HA ASN 64 -3.533 15.822 3.188 458 HB2 ASN 64 1HB ASN 64 -3.364 17.964 4.556 459 HB3 ASN 64 2HB ASN 64 -4.890 17.694 3.721 460 HD21 ASN 64 1HD2 ASN 64 -3.586 18.705 6.523 461 HD22 ASN 64 2HD2 ASN 64 -4.890 18.366 7.605 462 H LEU 65 H LEU 65 -1.811 14.507 3.595 463 HA LEU 65 HA LEU 65 -0.747 14.403 6.322 464 HB2 LEU 65 1HB LEU 65 0.194 12.851 3.923 465 HB3 LEU 65 2HB LEU 65 0.556 12.535 5.619 466 HG LEU 65 HG LEU 65 -2.217 12.313 4.467 467 HD11 LEU 65 1HD1 LEU 65 -1.402 9.756 4.887 468 HD12 LEU 65 2HD1 LEU 65 0.070 10.493 4.256 469 HD13 LEU 65 3HD1 LEU 65 -1.422 10.561 3.318 470 HD21 LEU 65 1HD2 LEU 65 -0.960 11.211 6.978 471 HD22 LEU 65 2HD2 LEU 65 -2.630 10.978 6.461 472 HD23 LEU 65 3HD2 LEU 65 -2.057 12.589 6.895 473 H THR 66 H THR 66 0.565 16.055 6.764 474 HA THR 66 HA THR 66 2.075 17.446 4.788 475 HB THR 66 HB THR 66 3.081 18.664 6.675 476 HG1 THR 66 1HG THR 66 1.787 16.629 8.165 477 HG21 THR 66 1HG2 THR 66 0.240 18.425 6.153 478 HG22 THR 66 2HG2 THR 66 1.213 19.867 6.444 479 HG23 THR 66 3HG2 THR 66 0.556 18.957 7.804 480 H GLU 67 H GLU 67 4.468 17.774 5.006 481 HA GLU 67 HA GLU 67 5.964 15.667 4.346 482 HB2 GLU 67 1HB GLU 67 6.644 18.135 5.877 483 HB3 GLU 67 2HB GLU 67 7.871 16.885 5.733 484 HG2 GLU 67 1HG GLU 67 7.276 17.003 3.194 485 HG3 GLU 67 2HG GLU 67 6.651 18.594 3.623 486 H ASP 68 H ASP 68 5.200 16.574 7.676 487 HA ASP 68 HA ASP 68 6.760 14.503 8.865 488 HB2 ASP 68 1HB ASP 68 6.012 16.656 9.983 489 HB3 ASP 68 2HB ASP 68 4.416 15.926 10.127 490 H ASP 69 H ASP 69 3.225 14.931 8.621 491 HA ASP 69 HA ASP 69 2.400 12.507 9.589 492 HB2 ASP 69 1HB ASP 69 1.207 14.037 7.267 493 HB3 ASP 69 2HB ASP 69 0.387 12.766 8.171 494 H LYS 70 H LYS 70 2.830 13.194 6.112 495 HA LYS 70 HA LYS 70 2.454 10.784 4.993 496 HB2 LYS 70 1HB LYS 70 4.405 12.958 4.417 497 HB3 LYS 70 2HB LYS 70 4.611 11.434 3.565 498 HG2 LYS 70 1HG LYS 70 2.284 11.604 2.764 499 HG3 LYS 70 2HG LYS 70 2.157 13.179 3.552 500 HD2 LYS 70 1HD LYS 70 4.236 13.800 2.163 501 HD3 LYS 70 2HD LYS 70 3.838 12.375 1.199 502 HE2 LYS 70 1HE LYS 70 1.587 13.303 0.812 503 HE3 LYS 70 2HE LYS 70 2.042 14.743 1.721 504 HZ1 LYS 70 1HZ LYS 70 2.686 14.000 -0.987 505 HZ2 LYS 70 2HZ LYS 70 4.016 14.556 -0.103 506 HZ3 LYS 70 3HZ LYS 70 2.643 15.530 -0.266 507 H HIS 71 H HIS 71 5.537 11.784 6.469 508 HA HIS 71 HA HIS 71 6.894 9.364 6.083 509 HB2 HIS 71 1HB HIS 71 7.236 11.720 7.873 510 HB3 HIS 71 2HB HIS 71 8.127 10.255 8.275 511 HD1 HIS 71 1HD HIS 71 10.284 9.929 7.088 512 HD2 HIS 71 2HD HIS 71 7.828 12.656 5.143 513 HE1 HIS 71 1HE HIS 71 11.671 10.860 5.208 514 HE2 HIS 71 2HE HIS 71 10.192 12.571 4.098 515 H ASN 72 H ASN 72 4.958 10.516 8.824 516 HA ASN 72 HA ASN 72 5.387 8.405 10.576 517 HB2 ASN 72 1HB ASN 72 3.131 10.334 10.172 518 HB3 ASN 72 2HB ASN 72 2.937 9.007 11.314 519 HD21 ASN 72 1HD2 ASN 72 3.484 12.101 11.301 520 HD22 ASN 72 2HD2 ASN 72 4.619 12.269 12.593 521 H ASN 73 H ASN 73 2.971 8.736 8.003 522 HA ASN 73 HA ASN 73 1.567 6.365 8.485 523 HB2 ASN 73 1HB ASN 73 2.048 7.766 5.846 524 HB3 ASN 73 2HB ASN 73 0.806 6.554 6.146 525 HD21 ASN 73 1HD2 ASN 73 -1.038 7.639 5.996 526 HD22 ASN 73 2HD2 ASN 73 -1.435 9.064 6.888 527 H ALA 74 H ALA 74 4.338 6.991 6.352 528 HA ALA 74 HA ALA 74 4.566 4.394 5.310 529 HB1 ALA 74 1HB ALA 74 5.949 5.606 4.052 530 HB2 ALA 74 2HB ALA 74 6.145 6.831 5.306 531 HB3 ALA 74 3HB ALA 74 7.144 5.377 5.329 532 H LYS 75 H LYS 75 6.454 5.935 7.918 533 HA LYS 75 HA LYS 75 8.034 3.869 8.710 534 HB2 LYS 75 1HB LYS 75 6.700 6.081 10.204 535 HB3 LYS 75 2HB LYS 75 7.513 4.825 11.129 536 HG2 LYS 75 1HG LYS 75 9.588 5.279 9.911 537 HG3 LYS 75 2HG LYS 75 8.768 6.551 9.003 538 HD2 LYS 75 1HD LYS 75 8.839 6.575 12.003 539 HD3 LYS 75 2HD LYS 75 10.176 7.224 11.050 540 HE2 LYS 75 1HE LYS 75 8.306 8.544 9.818 541 HE3 LYS 75 2HE LYS 75 7.350 8.184 11.255 542 HZ1 LYS 75 1HZ LYS 75 9.109 9.215 12.597 543 HZ2 LYS 75 2HZ LYS 75 8.422 10.304 11.501 544 HZ3 LYS 75 3HZ LYS 75 9.942 9.631 11.184 545 H TYR 76 H TYR 76 4.640 4.363 9.593 546 HA TYR 76 HA TYR 76 4.395 2.238 11.397 547 HB2 TYR 76 1HB TYR 76 2.734 4.135 10.875 548 HB3 TYR 76 2HB TYR 76 2.170 3.106 9.564 549 HD1 TYR 76 1HD TYR 76 2.798 3.024 13.242 550 HD2 TYR 76 2HD TYR 76 0.487 1.565 9.981 551 HE1 TYR 76 1HE TYR 76 1.337 1.828 14.819 552 HE2 TYR 76 2HE TYR 76 -0.981 0.367 11.548 553 HH TYR 76 HH TYR 76 -0.207 0.022 14.891 554 H ALA 77 H ALA 77 3.387 2.319 7.974 555 HA ALA 77 HA ALA 77 2.690 -0.326 7.670 556 HB1 ALA 77 1HB ALA 77 2.213 0.540 5.681 557 HB2 ALA 77 2HB ALA 77 3.341 1.874 5.924 558 HB3 ALA 77 3HB ALA 77 3.914 0.345 5.259 559 H VAL 78 H VAL 78 5.901 1.110 7.097 560 HA VAL 78 HA VAL 78 7.280 -1.143 6.313 561 HB VAL 78 HB VAL 78 8.318 1.089 8.065 562 HG11 VAL 78 1HG1 VAL 78 9.980 -0.571 6.209 563 HG12 VAL 78 2HG1 VAL 78 10.486 0.413 7.583 564 HG13 VAL 78 3HG1 VAL 78 9.651 -1.117 7.853 565 HG21 VAL 78 1HG2 VAL 78 7.261 1.388 5.611 566 HG22 VAL 78 2HG2 VAL 78 8.589 2.374 6.223 567 HG23 VAL 78 3HG2 VAL 78 8.924 0.993 5.178 568 H SER 79 H SER 79 6.729 0.018 9.626 569 HA SER 79 HA SER 79 8.183 -1.955 10.965 570 HB2 SER 79 1HB SER 79 5.880 -0.193 11.741 571 HB3 SER 79 2HB SER 79 6.450 -1.438 12.853 572 HG SER 79 HG SER 79 8.623 -0.338 12.193 573 H MET 80 H MET 80 4.705 -1.850 10.207 574 HA MET 80 HA MET 80 4.005 -4.312 11.303 575 HB2 MET 80 1HB MET 80 2.835 -2.861 8.924 576 HB3 MET 80 2HB MET 80 2.085 -4.248 9.703 577 HG2 MET 80 1HG MET 80 2.559 -1.517 10.856 578 HG3 MET 80 2HG MET 80 1.019 -2.310 10.535 579 HE1 MET 80 1HE MET 80 0.093 -4.387 11.975 580 HE2 MET 80 2HE MET 80 1.573 -5.241 11.541 581 HE3 MET 80 3HE MET 80 1.052 -5.179 13.225 582 H ALA 81 H ALA 81 4.724 -3.591 7.881 583 HA ALA 81 HA ALA 81 4.557 -6.009 6.717 584 HB1 ALA 81 1HB ALA 81 6.845 -5.216 5.553 585 HB2 ALA 81 2HB ALA 81 5.269 -4.518 5.180 586 HB3 ALA 81 3HB ALA 81 6.349 -3.703 6.311 587 H ARG 82 H ARG 82 7.690 -4.906 8.022 588 HA ARG 82 HA ARG 82 8.961 -7.373 7.940 589 HB2 ARG 82 1HB ARG 82 10.530 -6.427 9.606 590 HB3 ARG 82 2HB ARG 82 10.204 -5.325 8.275 591 HG2 ARG 82 1HG ARG 82 8.565 -4.149 9.721 592 HG3 ARG 82 2HG ARG 82 9.059 -5.193 11.055 593 HD2 ARG 82 1HD ARG 82 10.934 -3.414 9.504 594 HD3 ARG 82 2HD ARG 82 10.173 -2.963 11.029 595 HE ARG 82 HE ARG 82 11.570 -5.436 11.235 596 HH11 ARG 82 2HH1 ARG 82 11.998 -1.982 11.182 597 HH12 ARG 82 1HH1 ARG 82 13.465 -2.018 12.103 598 HH21 ARG 82 2HH2 ARG 82 13.501 -5.497 12.448 599 HH22 ARG 82 1HH2 ARG 82 14.320 -4.018 12.822 600 H ARG 83 H ARG 83 6.929 -5.961 10.447 601 HA ARG 83 HA ARG 83 7.415 -7.704 12.540 602 HB2 ARG 83 1HB ARG 83 5.890 -5.616 12.421 603 HB3 ARG 83 2HB ARG 83 4.639 -6.742 11.909 604 HG2 ARG 83 1HG ARG 83 5.239 -8.058 14.030 605 HG3 ARG 83 2HG ARG 83 6.061 -6.581 14.538 606 HD2 ARG 83 1HD ARG 83 4.087 -5.365 14.636 607 HD3 ARG 83 2HD ARG 83 3.235 -6.476 13.564 608 HE ARG 83 HE ARG 83 3.490 -6.678 16.412 609 HH11 ARG 83 2HH1 ARG 83 3.034 -8.474 13.465 610 HH12 ARG 83 1HH1 ARG 83 2.241 -9.803 14.244 611 HH21 ARG 83 2HH2 ARG 83 2.448 -8.421 17.449 612 HH22 ARG 83 1HH2 ARG 83 1.907 -9.771 16.511 613 H ILE 84 H ILE 84 4.548 -7.964 10.438 614 HA ILE 84 HA ILE 84 3.724 -10.470 11.128 615 HB ILE 84 HB ILE 84 2.788 -10.689 8.825 616 HG12 ILE 84 1HG1 ILE 84 3.993 -7.970 8.316 617 HG13 ILE 84 2HG1 ILE 84 4.761 -9.458 7.773 618 HG21 ILE 84 1HG2 ILE 84 1.639 -9.462 10.644 619 HG22 ILE 84 2HG2 ILE 84 2.373 -7.970 10.058 620 HG23 ILE 84 3HG2 ILE 84 1.241 -8.855 9.037 621 HD11 ILE 84 1HD1 ILE 84 2.548 -9.958 6.605 622 HD12 ILE 84 2HD1 ILE 84 2.166 -8.259 6.889 623 HD13 ILE 84 3HD1 ILE 84 3.575 -8.697 5.923 624 H GLY 85 H GLY 85 6.392 -9.613 9.020 625 HA2 GLY 85 1HA GLY 85 8.181 -11.423 9.178 626 HA3 GLY 85 2HA GLY 85 6.917 -12.481 8.568 627 H ALA 86 H ALA 86 8.269 -9.289 7.720 628 HA ALA 86 HA ALA 86 8.393 -10.215 4.924 629 HB1 ALA 86 1HB ALA 86 6.683 -8.485 5.266 630 HB2 ALA 86 2HB ALA 86 7.925 -7.395 5.884 631 HB3 ALA 86 3HB ALA 86 7.982 -7.935 4.206 632 H ARG 87 H ARG 87 10.376 -10.365 4.124 633 HA ARG 87 HA ARG 87 12.621 -9.258 5.572 634 HB2 ARG 87 1HB ARG 87 12.461 -11.570 4.390 635 HB3 ARG 87 2HB ARG 87 12.831 -10.664 2.929 636 HG2 ARG 87 1HG ARG 87 14.913 -11.367 3.607 637 HG3 ARG 87 2HG ARG 87 14.828 -9.748 4.304 638 HD2 ARG 87 1HD ARG 87 15.592 -10.965 6.099 639 HD3 ARG 87 2HD ARG 87 13.850 -11.010 6.373 640 HE ARG 87 HE ARG 87 13.921 -13.270 6.084 641 HH11 ARG 87 2HH1 ARG 87 16.768 -11.876 4.644 642 HH12 ARG 87 1HH1 ARG 87 17.489 -13.407 4.273 643 HH21 ARG 87 2HH2 ARG 87 14.861 -15.292 5.601 644 HH22 ARG 87 1HH2 ARG 87 16.403 -15.349 4.817 645 H VAL 88 H VAL 88 11.231 -7.134 4.796 646 HA VAL 88 HA VAL 88 12.557 -6.125 2.367 647 HB VAL 88 HB VAL 88 10.247 -5.895 2.035 648 HG11 VAL 88 1HG1 VAL 88 10.077 -4.886 4.870 649 HG12 VAL 88 2HG1 VAL 88 8.734 -4.881 3.726 650 HG13 VAL 88 3HG1 VAL 88 9.449 -6.409 4.242 651 HG21 VAL 88 1HG2 VAL 88 11.853 -3.655 2.235 652 HG22 VAL 88 2HG2 VAL 88 10.291 -3.750 1.421 653 HG23 VAL 88 3HG2 VAL 88 10.382 -3.194 3.092 654 H TYR 89 H TYR 89 14.498 -5.475 3.279 655 HA TYR 89 HA TYR 89 14.551 -3.776 5.606 656 HB2 TYR 89 1HB TYR 89 17.045 -3.587 4.848 657 HB3 TYR 89 2HB TYR 89 16.449 -5.106 5.508 658 HD1 TYR 89 1HD TYR 89 16.637 -3.420 2.170 659 HD2 TYR 89 2HD TYR 89 17.107 -7.012 4.402 660 HE1 TYR 89 1HE TYR 89 17.366 -4.585 0.130 661 HE2 TYR 89 2HE TYR 89 17.838 -8.187 2.369 662 HH TYR 89 HH TYR 89 19.008 -7.045 -0.096 663 H ALA 90 H ALA 90 12.938 -2.616 3.713 664 HA ALA 90 HA ALA 90 14.497 -0.567 2.348 665 HB1 ALA 90 1HB ALA 90 12.718 -1.513 1.064 666 HB2 ALA 90 2HB ALA 90 11.550 -1.194 2.347 667 HB3 ALA 90 3HB ALA 90 12.275 0.148 1.462 668 H LEU 91 H LEU 91 14.322 1.639 2.753 669 HA LEU 91 HA LEU 91 13.743 2.320 5.494 670 HB2 LEU 91 1HB LEU 91 14.626 4.066 3.201 671 HB3 LEU 91 2HB LEU 91 14.592 4.531 4.900 672 HG LEU 91 HG LEU 91 16.336 2.349 3.761 673 HD11 LEU 91 1HD1 LEU 91 17.443 4.920 4.739 674 HD12 LEU 91 2HD1 LEU 91 16.695 4.902 3.143 675 HD13 LEU 91 3HD1 LEU 91 18.045 3.823 3.495 676 HD21 LEU 91 1HD2 LEU 91 17.244 3.483 6.215 677 HD22 LEU 91 2HD2 LEU 91 16.783 1.817 5.867 678 HD23 LEU 91 3HD2 LEU 91 15.565 2.975 6.404 679 HA PRO 92 HA PRO 92 9.662 3.865 4.969 680 HB2 PRO 92 1HB PRO 92 9.608 5.738 6.933 681 HB3 PRO 92 2HB PRO 92 9.567 4.002 7.261 682 HG2 PRO 92 1HG PRO 92 11.881 5.898 7.373 683 HG3 PRO 92 2HG PRO 92 11.437 4.606 8.504 684 HD2 PRO 92 1HD PRO 92 13.378 4.306 6.640 685 HD3 PRO 92 2HD PRO 92 12.356 2.958 7.180 686 H GLU 93 H GLU 93 12.427 5.777 4.444 687 HA GLU 93 HA GLU 93 11.030 8.213 3.786 688 HB2 GLU 93 1HB GLU 93 13.896 7.373 3.319 689 HB3 GLU 93 2HB GLU 93 13.259 8.979 2.997 690 HG2 GLU 93 1HG GLU 93 12.598 9.040 5.449 691 HG3 GLU 93 2HG GLU 93 13.618 7.616 5.643 692 H ASP 94 H ASP 94 12.403 5.472 2.065 693 HA ASP 94 HA ASP 94 12.349 6.424 -0.537 694 HB2 ASP 94 1HB ASP 94 11.548 3.606 0.159 695 HB3 ASP 94 2HB ASP 94 12.440 4.175 -1.248 696 H LEU 95 H LEU 95 9.746 4.879 1.315 697 HA LEU 95 HA LEU 95 7.819 4.797 -0.700 698 HB2 LEU 95 1HB LEU 95 7.353 5.243 2.245 699 HB3 LEU 95 2HB LEU 95 6.178 4.638 1.079 700 HG LEU 95 HG LEU 95 8.718 3.134 1.594 701 HD11 LEU 95 1HD1 LEU 95 8.094 2.398 3.600 702 HD12 LEU 95 2HD1 LEU 95 6.424 2.164 3.083 703 HD13 LEU 95 3HD1 LEU 95 6.962 3.751 3.632 704 HD21 LEU 95 1HD2 LEU 95 7.605 1.336 0.658 705 HD22 LEU 95 2HD2 LEU 95 6.998 2.690 -0.295 706 HD23 LEU 95 3HD2 LEU 95 6.011 2.009 0.999 707 H VAL 96 H VAL 96 8.480 7.331 1.702 708 HA VAL 96 HA VAL 96 6.436 9.091 1.057 709 HB VAL 96 HB VAL 96 9.243 9.796 1.924 710 HG11 VAL 96 1HG1 VAL 96 7.515 11.564 0.950 711 HG12 VAL 96 2HG1 VAL 96 6.900 11.481 2.602 712 HG13 VAL 96 3HG1 VAL 96 8.578 11.937 2.306 713 HG21 VAL 96 1HG2 VAL 96 7.796 8.187 3.338 714 HG22 VAL 96 2HG2 VAL 96 8.564 9.560 4.134 715 HG23 VAL 96 3HG2 VAL 96 6.852 9.627 3.719 716 H GLU 97 H GLU 97 9.743 8.991 -0.265 717 HA GLU 97 HA GLU 97 9.146 11.022 -2.218 718 HB2 GLU 97 1HB GLU 97 11.560 9.212 -2.104 719 HB3 GLU 97 2HB GLU 97 11.421 10.744 -2.954 720 HG2 GLU 97 1HG GLU 97 10.901 11.641 -0.529 721 HG3 GLU 97 2HG GLU 97 11.808 10.203 -0.063 722 H VAL 98 H VAL 98 8.147 7.968 -2.026 723 HA VAL 98 HA VAL 98 7.589 6.295 -3.491 724 HB VAL 98 HB VAL 98 7.135 8.554 -5.435 725 HG11 VAL 98 1HG1 VAL 98 5.367 6.177 -5.028 726 HG12 VAL 98 2HG1 VAL 98 5.581 7.183 -6.462 727 HG13 VAL 98 3HG1 VAL 98 6.835 6.034 -5.995 728 HG21 VAL 98 1HG2 VAL 98 5.680 9.489 -4.044 729 HG22 VAL 98 2HG2 VAL 98 4.777 7.976 -3.971 730 HG23 VAL 98 3HG2 VAL 98 6.067 8.289 -2.811 731 H LYS 99 H LYS 99 10.239 6.315 -3.434 732 HA LYS 99 HA LYS 99 11.490 6.788 -5.950 733 HB2 LYS 99 1HB LYS 99 12.481 4.951 -3.771 734 HB3 LYS 99 2HB LYS 99 13.436 5.778 -4.995 735 HG2 LYS 99 1HG LYS 99 12.622 7.944 -3.930 736 HG3 LYS 99 2HG LYS 99 12.082 6.938 -2.583 737 HD2 LYS 99 1HD LYS 99 14.361 6.100 -2.294 738 HD3 LYS 99 2HD LYS 99 14.902 7.090 -3.651 739 HE2 LYS 99 1HE LYS 99 13.812 9.021 -2.219 740 HE3 LYS 99 2HE LYS 99 14.114 7.896 -0.896 741 HZ1 LYS 99 1HZ LYS 99 16.098 9.089 -2.745 742 HZ2 LYS 99 2HZ LYS 99 16.461 7.787 -1.730 743 HZ3 LYS 99 3HZ LYS 99 16.003 9.274 -1.066 744 HA PRO 100 HA PRO 100 9.843 3.093 -7.863 745 HB2 PRO 100 1HB PRO 100 10.945 3.563 -10.299 746 HB3 PRO 100 2HB PRO 100 9.489 4.387 -9.728 747 HG2 PRO 100 1HG PRO 100 12.323 5.351 -9.757 748 HG3 PRO 100 2HG PRO 100 10.840 6.223 -10.188 749 HD2 PRO 100 1HD PRO 100 12.070 6.533 -7.795 750 HD3 PRO 100 2HD PRO 100 10.310 6.662 -7.988 751 H LYS 101 H LYS 101 12.955 3.835 -6.951 752 HA LYS 101 HA LYS 101 14.220 1.576 -8.287 753 HB2 LYS 101 1HB LYS 101 16.276 2.359 -7.155 754 HB3 LYS 101 2HB LYS 101 15.517 3.617 -8.121 755 HG2 LYS 101 1HG LYS 101 14.618 4.663 -6.156 756 HG3 LYS 101 2HG LYS 101 15.189 3.336 -5.142 757 HD2 LYS 101 1HD LYS 101 16.881 4.827 -4.791 758 HD3 LYS 101 2HD LYS 101 17.517 4.005 -6.218 759 HE2 LYS 101 1HE LYS 101 17.118 5.789 -7.590 760 HE3 LYS 101 2HE LYS 101 15.749 6.356 -6.636 761 HZ1 LYS 101 1HZ LYS 101 18.528 7.053 -6.440 762 HZ2 LYS 101 2HZ LYS 101 17.843 6.653 -4.947 763 HZ3 LYS 101 3HZ LYS 101 17.164 7.885 -5.885 764 H MET 102 H MET 102 13.123 2.556 -5.095 765 HA MET 102 HA MET 102 13.925 -0.068 -4.036 766 HB2 MET 102 1HB MET 102 13.524 2.616 -2.787 767 HB3 MET 102 2HB MET 102 13.261 1.181 -1.806 768 HG2 MET 102 1HG MET 102 15.563 0.431 -2.477 769 HG3 MET 102 2HG MET 102 15.790 2.029 -3.184 770 HE1 MET 102 1HE MET 102 15.073 -0.113 -0.311 771 HE2 MET 102 2HE MET 102 16.684 0.234 0.317 772 HE3 MET 102 3HE MET 102 15.259 0.854 1.153 773 H VAL 103 H VAL 103 11.233 2.262 -3.963 774 HA VAL 103 HA VAL 103 9.322 0.879 -2.614 775 HB VAL 103 HB VAL 103 8.880 2.437 -5.165 776 HG11 VAL 103 1HG1 VAL 103 6.607 2.603 -4.604 777 HG12 VAL 103 2HG1 VAL 103 7.009 0.903 -4.352 778 HG13 VAL 103 3HG1 VAL 103 6.877 1.993 -2.972 779 HG21 VAL 103 1HG2 VAL 103 8.602 3.399 -2.326 780 HG22 VAL 103 2HG2 VAL 103 10.075 3.605 -3.274 781 HG23 VAL 103 3HG2 VAL 103 8.572 4.357 -3.806 782 H MET 104 H MET 104 10.501 0.225 -5.845 783 HA MET 104 HA MET 104 8.498 -1.467 -6.779 784 HB2 MET 104 1HB MET 104 10.145 -2.352 -8.310 785 HB3 MET 104 2HB MET 104 10.392 -0.619 -8.139 786 HG2 MET 104 1HG MET 104 12.219 -1.066 -6.549 787 HG3 MET 104 2HG MET 104 11.996 -2.793 -6.816 788 HE1 MET 104 1HE MET 104 12.498 -4.047 -8.471 789 HE2 MET 104 2HE MET 104 12.627 -3.563 -10.162 790 HE3 MET 104 3HE MET 104 14.086 -3.797 -9.197 791 H THR 105 H THR 105 11.443 -2.287 -4.957 792 HA THR 105 HA THR 105 10.712 -5.055 -4.727 793 HB THR 105 HB THR 105 13.076 -4.371 -4.766 794 HG1 THR 105 1HG THR 105 12.071 -6.216 -3.367 795 HG21 THR 105 1HG2 THR 105 12.190 -2.682 -2.546 796 HG22 THR 105 2HG2 THR 105 13.573 -2.500 -3.626 797 HG23 THR 105 3HG2 THR 105 13.684 -3.560 -2.220 798 H VAL 106 H VAL 106 9.997 -2.192 -2.999 799 HA VAL 106 HA VAL 106 9.638 -3.206 -0.400 800 HB VAL 106 HB VAL 106 8.270 -0.906 -1.798 801 HG11 VAL 106 1HG1 VAL 106 8.263 -0.570 1.010 802 HG12 VAL 106 2HG1 VAL 106 6.881 -0.737 -0.075 803 HG13 VAL 106 3HG1 VAL 106 7.598 -2.167 0.667 804 HG21 VAL 106 1HG2 VAL 106 9.823 0.477 -0.531 805 HG22 VAL 106 2HG2 VAL 106 10.530 -0.963 0.202 806 HG23 VAL 106 3HG2 VAL 106 10.699 -0.683 -1.531 807 H PHE 107 H PHE 107 7.472 -3.041 -3.185 808 HA PHE 107 HA PHE 107 5.248 -4.146 -1.715 809 HB2 PHE 107 1HB PHE 107 5.700 -3.329 -4.568 810 HB3 PHE 107 2HB PHE 107 4.287 -4.286 -4.132 811 HD1 PHE 107 1HD PHE 107 2.678 -3.367 -2.436 812 HD2 PHE 107 2HD PHE 107 5.765 -1.018 -4.188 813 HE1 PHE 107 1HE PHE 107 1.495 -1.317 -1.763 814 HE2 PHE 107 2HE PHE 107 4.588 1.035 -3.517 815 HZ PHE 107 HZ PHE 107 2.451 0.888 -2.303 816 H ALA 108 H ALA 108 7.392 -5.253 -4.326 817 HA ALA 108 HA ALA 108 6.375 -7.767 -4.771 818 HB1 ALA 108 1HB ALA 108 9.336 -7.433 -4.659 819 HB2 ALA 108 2HB ALA 108 8.339 -8.260 -5.856 820 HB3 ALA 108 3HB ALA 108 8.405 -6.498 -5.828 821 H CYS 109 H CYS 109 8.897 -6.904 -2.402 822 HA CYS 109 HA CYS 109 9.427 -9.331 -1.289 823 HB2 CYS 109 1HB CYS 109 9.312 -6.568 -0.161 824 HB3 CYS 109 2HB CYS 109 9.532 -7.915 0.950 825 HG CYS 109 HG CYS 109 11.912 -6.392 -0.155 826 H LEU 110 H LEU 110 6.726 -7.192 -0.425 827 HA LEU 110 HA LEU 110 5.637 -8.746 1.619 828 HB2 LEU 110 1HB LEU 110 4.310 -6.889 -0.345 829 HB3 LEU 110 2HB LEU 110 3.489 -7.591 1.046 830 HG LEU 110 HG LEU 110 5.979 -6.005 1.482 831 HD11 LEU 110 1HD1 LEU 110 3.894 -4.932 0.027 832 HD12 LEU 110 2HD1 LEU 110 5.109 -4.032 0.934 833 HD13 LEU 110 3HD1 LEU 110 3.558 -4.418 1.680 834 HD21 LEU 110 1HD2 LEU 110 5.375 -6.561 3.556 835 HD22 LEU 110 2HD2 LEU 110 3.775 -7.091 3.037 836 HD23 LEU 110 3HD2 LEU 110 4.073 -5.385 3.375 837 H MET 111 H MET 111 5.025 -8.813 -1.872 838 HA MET 111 HA MET 111 2.944 -10.633 -1.951 839 HB2 MET 111 1HB MET 111 3.861 -9.375 -3.900 840 HB3 MET 111 2HB MET 111 5.230 -10.479 -3.922 841 HG2 MET 111 1HG MET 111 3.412 -12.319 -4.107 842 HG3 MET 111 2HG MET 111 2.377 -10.990 -4.626 843 HE1 MET 111 1HE MET 111 3.151 -9.924 -7.787 844 HE2 MET 111 2HE MET 111 3.115 -9.288 -6.142 845 HE3 MET 111 3HE MET 111 4.627 -9.301 -7.051 846 H GLY 112 H GLY 112 6.424 -11.236 -1.734 847 HA2 GLY 112 1HA GLY 112 6.714 -13.871 -2.176 848 HA3 GLY 112 2HA GLY 112 7.496 -13.077 -0.817 849 H ARG 113 H ARG 113 6.002 -12.792 1.144 850 HA ARG 113 HA ARG 113 5.157 -15.378 1.956 851 HB2 ARG 113 1HB ARG 113 6.099 -13.766 3.539 852 HB3 ARG 113 2HB ARG 113 4.734 -12.690 3.272 853 HG2 ARG 113 1HG ARG 113 4.083 -13.691 5.210 854 HG3 ARG 113 2HG ARG 113 3.351 -14.790 4.040 855 HD2 ARG 113 1HD ARG 113 6.133 -15.327 4.953 856 HD3 ARG 113 2HD ARG 113 4.803 -15.683 6.055 857 HE ARG 113 HE ARG 113 3.987 -16.904 3.825 858 HH11 ARG 113 2HH1 ARG 113 7.064 -16.913 5.452 859 HH12 ARG 113 1HH1 ARG 113 7.478 -18.515 4.938 860 HH21 ARG 113 2HH2 ARG 113 4.521 -19.014 3.142 861 HH22 ARG 113 1HH2 ARG 113 6.031 -19.709 3.623 862 H GLY 114 H GLY 114 3.389 -12.375 1.235 863 HA2 GLY 114 1HA GLY 114 0.837 -12.907 1.833 864 HA3 GLY 114 2HA GLY 114 1.270 -12.171 0.297 865 H MET 115 H MET 115 2.225 -14.014 -1.265 866 HA MET 115 HA MET 115 0.191 -15.420 -2.321 867 HB2 MET 115 1HB MET 115 3.096 -16.221 -2.165 868 HB3 MET 115 2HB MET 115 1.922 -17.076 -3.157 869 HG2 MET 115 1HG MET 115 1.499 -15.067 -4.440 870 HG3 MET 115 2HG MET 115 2.602 -14.156 -3.412 871 HE1 MET 115 1HE MET 115 2.010 -16.702 -6.058 872 HE2 MET 115 2HE MET 115 2.609 -15.319 -6.973 873 HE3 MET 115 3HE MET 115 3.536 -16.819 -6.935 874 H LYS 116 H LYS 116 -1.202 -16.826 -1.504 875 HA LYS 116 HA LYS 116 -0.898 -18.165 0.933 876 HB2 LYS 116 1HB LYS 116 -2.725 -18.796 -1.393 877 HB3 LYS 116 2HB LYS 116 -2.877 -19.492 0.215 878 HG2 LYS 116 1HG LYS 116 -2.918 -16.527 -0.194 879 HG3 LYS 116 2HG LYS 116 -4.372 -17.505 -0.407 880 HD2 LYS 116 1HD LYS 116 -4.502 -18.041 1.823 881 HD3 LYS 116 2HD LYS 116 -2.766 -17.848 2.080 882 HE2 LYS 116 1HE LYS 116 -3.958 -16.062 3.189 883 HE3 LYS 116 2HE LYS 116 -3.031 -15.408 1.839 884 HZ1 LYS 116 1HZ LYS 116 -5.269 -15.769 0.580 885 HZ2 LYS 116 2HZ LYS 116 -5.036 -14.390 1.531 886 HZ3 LYS 116 3HZ LYS 116 -5.936 -15.690 2.133 887 H ARG 117 H ARG 117 -0.063 -20.087 1.509 888 HA ARG 117 HA ARG 117 0.813 -21.916 -0.624 889 HB2 ARG 117 1HB ARG 117 2.865 -22.376 0.642 890 HB3 ARG 117 2HB ARG 117 2.761 -20.683 0.178 891 HG2 ARG 117 1HG ARG 117 3.422 -20.434 2.333 892 HG3 ARG 117 2HG ARG 117 1.675 -20.470 2.581 893 HD2 ARG 117 1HD ARG 117 2.134 -23.077 2.736 894 HD3 ARG 117 2HD ARG 117 3.735 -22.514 3.215 895 HE ARG 117 HE ARG 117 1.760 -21.136 4.680 896 HH11 ARG 117 2HH1 ARG 117 3.242 -24.274 4.410 897 HH12 ARG 117 1HH1 ARG 117 2.963 -24.693 6.068 898 HH21 ARG 117 2HH2 ARG 117 1.386 -21.676 6.864 899 HH22 ARG 117 1HH2 ARG 117 1.906 -23.215 7.463 900 H VAL 118 H VAL 118 0.537 -24.069 -0.241 901 HA VAL 118 HA VAL 118 -0.871 -24.768 2.246 902 HB VAL 118 HB VAL 118 -0.919 -26.100 -0.463 903 HG11 VAL 118 1HG1 VAL 118 -2.838 -27.393 0.815 904 HG12 VAL 118 2HG1 VAL 118 -1.163 -27.946 0.859 905 HG13 VAL 118 3HG1 VAL 118 -1.825 -27.027 2.211 906 HG21 VAL 118 1HG2 VAL 118 -2.263 -23.925 0.166 907 HG22 VAL 118 2HG2 VAL 118 -3.013 -25.219 -0.768 908 HG23 VAL 118 3HG2 VAL 118 -3.328 -25.084 0.962 909 H SER 119 H SER 119 -0.098 -26.312 3.576 910 HA SER 119 HA SER 119 2.590 -27.271 3.100 911 HB2 SER 119 1HB SER 119 1.997 -26.446 5.326 912 HB3 SER 119 2HB SER 119 0.733 -27.669 5.460 913 HG SER 119 HG SER 119 3.286 -27.896 6.103 914 H GLY 120 H GLY 120 2.446 -28.795 1.472 915 HA2 GLY 120 1HA GLY 120 0.555 -30.974 1.647 916 HA3 GLY 120 2HA GLY 120 1.792 -30.758 0.417 917 HA PRO 121 HA PRO 121 3.151 -34.325 2.968 918 HB2 PRO 121 1HB PRO 121 4.196 -35.696 0.871 919 HB3 PRO 121 2HB PRO 121 2.485 -35.769 1.309 920 HG2 PRO 121 1HG PRO 121 3.828 -34.149 -0.820 921 HG3 PRO 121 2HG PRO 121 2.308 -35.060 -0.898 922 HD2 PRO 121 1HD PRO 121 2.382 -32.375 -0.554 923 HD3 PRO 121 2HD PRO 121 1.110 -33.394 0.150 924 H SER 122 H SER 122 4.958 -33.914 4.067 925 HA SER 122 HA SER 122 7.173 -32.512 2.874 926 HB2 SER 122 1HB SER 122 6.503 -33.500 5.618 927 HB3 SER 122 2HB SER 122 8.178 -33.096 5.242 928 HG SER 122 HG SER 122 5.982 -31.352 4.811 929 H SER 123 H SER 123 9.313 -33.287 2.693 930 HA SER 123 HA SER 123 9.525 -36.224 2.554 931 HB2 SER 123 1HB SER 123 10.833 -34.174 0.749 932 HB3 SER 123 2HB SER 123 11.096 -35.916 0.669 933 HG SER 123 HG SER 123 9.069 -34.436 -0.347 934 H GLY 124 H GLY 124 11.569 -37.151 3.044 935 HA2 GLY 124 1HA GLY 124 13.028 -35.618 5.045 936 HA3 GLY 124 2HA GLY 124 13.182 -37.341 4.735 Start of MODEL 16 1 H1 GLY 1 H GLY 1 5.970 2.609 -29.084 2 HA2 GLY 1 1HA GLY 1 5.896 1.834 -31.502 3 HA3 GLY 1 2HA GLY 1 7.359 2.699 -31.054 4 H SER 2 H SER 2 9.275 1.513 -30.631 5 HA SER 2 HA SER 2 9.231 -1.224 -31.724 6 HB2 SER 2 1HB SER 2 11.110 1.058 -32.203 7 HB3 SER 2 2HB SER 2 11.724 -0.593 -32.293 8 HG SER 2 HG SER 2 9.940 0.742 -33.959 9 H SER 3 H SER 3 11.167 0.961 -29.679 10 HA SER 3 HA SER 3 12.394 -1.254 -28.301 11 HB2 SER 3 1HB SER 3 13.441 0.552 -26.911 12 HB3 SER 3 2HB SER 3 13.727 0.729 -28.643 13 HG SER 3 HG SER 3 12.067 2.229 -26.946 14 H GLY 4 H GLY 4 11.960 -2.008 -26.275 15 HA2 GLY 4 1HA GLY 4 10.653 -0.904 -24.178 16 HA3 GLY 4 2HA GLY 4 9.335 -1.418 -25.220 17 H SER 5 H SER 5 11.787 -2.406 -23.013 18 HA SER 5 HA SER 5 10.840 -5.189 -23.238 19 HB2 SER 5 1HB SER 5 13.157 -5.070 -23.953 20 HB3 SER 5 2HB SER 5 13.599 -4.191 -22.489 21 HG SER 5 HG SER 5 14.074 -6.449 -22.379 22 H SER 6 H SER 6 9.292 -5.139 -21.663 23 HA SER 6 HA SER 6 9.656 -3.888 -19.133 24 HB2 SER 6 1HB SER 6 7.444 -4.466 -20.324 25 HB3 SER 6 2HB SER 6 7.672 -6.090 -19.676 26 HG SER 6 HG SER 6 7.637 -5.230 -17.601 27 H GLY 7 H GLY 7 9.792 -4.925 -17.064 28 HA2 GLY 7 1HA GLY 7 11.139 -7.555 -17.183 29 HA3 GLY 7 2HA GLY 7 11.663 -6.266 -16.109 30 H ASN 8 H ASN 8 8.441 -7.579 -16.862 31 HA ASN 8 HA ASN 8 6.768 -8.340 -15.522 32 HB2 ASN 8 1HB ASN 8 9.180 -9.313 -13.992 33 HB3 ASN 8 2HB ASN 8 7.533 -9.696 -13.502 34 HD21 ASN 8 1HD2 ASN 8 9.223 -11.714 -14.065 35 HD22 ASN 8 2HD2 ASN 8 8.785 -12.475 -15.553 36 H ASP 9 H ASP 9 7.397 -5.640 -15.227 37 HA ASP 9 HA ASP 9 7.545 -4.978 -12.428 38 HB2 ASP 9 1HB ASP 9 6.714 -3.080 -14.611 39 HB3 ASP 9 2HB ASP 9 7.553 -2.723 -13.103 40 H ASP 10 H ASP 10 5.040 -5.004 -14.928 41 HA ASP 10 HA ASP 10 2.974 -3.900 -13.371 42 HB2 ASP 10 1HB ASP 10 2.571 -5.922 -15.573 43 HB3 ASP 10 2HB ASP 10 1.485 -4.627 -15.077 44 H ILE 11 H ILE 11 4.074 -7.221 -13.817 45 HA ILE 11 HA ILE 11 2.091 -8.715 -12.730 46 HB ILE 11 HB ILE 11 5.038 -9.011 -12.138 47 HG12 ILE 11 1HG1 ILE 11 4.314 -9.013 -14.558 48 HG13 ILE 11 2HG1 ILE 11 5.120 -10.482 -14.020 49 HG21 ILE 11 1HG2 ILE 11 4.616 -11.238 -11.463 50 HG22 ILE 11 2HG2 ILE 11 3.459 -10.232 -10.593 51 HG23 ILE 11 3HG2 ILE 11 2.938 -11.159 -12.000 52 HD11 ILE 11 1HD1 ILE 11 2.136 -10.265 -14.043 53 HD12 ILE 11 2HD1 ILE 11 3.046 -10.713 -15.486 54 HD13 ILE 11 3HD1 ILE 11 3.145 -11.711 -14.036 55 H ILE 12 H ILE 12 4.561 -6.947 -10.883 56 HA ILE 12 HA ILE 12 3.678 -7.698 -8.327 57 HB ILE 12 HB ILE 12 5.068 -5.140 -9.133 58 HG12 ILE 12 1HG1 ILE 12 6.312 -7.650 -8.011 59 HG13 ILE 12 2HG1 ILE 12 6.182 -7.350 -9.741 60 HG21 ILE 12 1HG2 ILE 12 3.891 -5.622 -6.751 61 HG22 ILE 12 2HG2 ILE 12 5.495 -6.293 -6.462 62 HG23 ILE 12 3HG2 ILE 12 5.321 -4.611 -6.959 63 HD11 ILE 12 1HD1 ILE 12 7.456 -5.226 -9.362 64 HD12 ILE 12 2HD1 ILE 12 7.744 -5.782 -7.713 65 HD13 ILE 12 3HD1 ILE 12 8.358 -6.714 -9.077 66 H VAL 13 H VAL 13 3.090 -4.648 -10.087 67 HA VAL 13 HA VAL 13 1.375 -3.437 -8.307 68 HB VAL 13 HB VAL 13 1.144 -3.342 -11.319 69 HG11 VAL 13 1HG1 VAL 13 -0.244 -1.966 -9.149 70 HG12 VAL 13 2HG1 VAL 13 0.460 -0.875 -10.345 71 HG13 VAL 13 3HG1 VAL 13 -0.676 -2.126 -10.851 72 HG21 VAL 13 1HG2 VAL 13 2.446 -1.082 -10.110 73 HG22 VAL 13 2HG2 VAL 13 3.286 -2.574 -9.687 74 HG23 VAL 13 3HG2 VAL 13 3.026 -2.158 -11.381 75 H ASN 14 H ASN 14 0.491 -5.615 -10.983 76 HA ASN 14 HA ASN 14 -2.243 -5.613 -10.720 77 HB2 ASN 14 1HB ASN 14 -0.275 -7.686 -11.604 78 HB3 ASN 14 2HB ASN 14 -1.969 -8.139 -11.428 79 HD21 ASN 14 1HD2 ASN 14 0.118 -5.701 -12.916 80 HD22 ASN 14 2HD2 ASN 14 -0.850 -5.484 -14.331 81 H TRP 15 H TRP 15 0.104 -7.566 -8.920 82 HA TRP 15 HA TRP 15 -1.773 -9.062 -7.446 83 HB2 TRP 15 1HB TRP 15 0.648 -9.629 -7.686 84 HB3 TRP 15 2HB TRP 15 1.028 -8.295 -6.601 85 HD1 TRP 15 HD TRP 15 -0.529 -11.796 -6.609 86 HE1 TRP 15 1HE TRP 15 -0.602 -12.666 -4.188 87 HE3 TRP 15 3HE TRP 15 0.944 -7.548 -4.176 88 HZ2 TRP 15 2HZ TRP 15 -0.102 -11.681 -1.590 89 HZ3 TRP 15 3HZ TRP 15 1.121 -7.595 -1.723 90 HH2 TRP 15 HH TRP 15 0.608 -9.620 -0.458 91 H VAL 16 H VAL 16 0.041 -6.118 -6.602 92 HA VAL 16 HA VAL 16 -0.828 -5.703 -4.036 93 HB VAL 16 HB VAL 16 -0.459 -3.578 -6.152 94 HG11 VAL 16 1HG1 VAL 16 -0.866 -2.033 -4.605 95 HG12 VAL 16 2HG1 VAL 16 -1.458 -3.324 -3.558 96 HG13 VAL 16 3HG1 VAL 16 0.227 -2.810 -3.460 97 HG21 VAL 16 1HG2 VAL 16 1.572 -4.698 -6.081 98 HG22 VAL 16 2HG2 VAL 16 1.803 -3.404 -4.905 99 HG23 VAL 16 3HG2 VAL 16 1.439 -5.039 -4.356 100 H ASN 17 H ASN 17 -2.466 -4.679 -7.023 101 HA ASN 17 HA ASN 17 -4.681 -3.487 -5.729 102 HB2 ASN 17 1HB ASN 17 -4.152 -4.444 -8.526 103 HB3 ASN 17 2HB ASN 17 -5.765 -3.911 -8.062 104 HD21 ASN 17 1HD2 ASN 17 -2.381 -2.874 -7.849 105 HD22 ASN 17 2HD2 ASN 17 -2.696 -1.203 -8.152 106 H ARG 18 H ARG 18 -4.241 -6.683 -7.224 107 HA ARG 18 HA ARG 18 -6.785 -7.702 -6.851 108 HB2 ARG 18 1HB ARG 18 -5.148 -8.904 -8.150 109 HB3 ARG 18 2HB ARG 18 -4.115 -9.109 -6.742 110 HG2 ARG 18 1HG ARG 18 -5.532 -10.696 -5.785 111 HG3 ARG 18 2HG ARG 18 -6.889 -10.237 -6.815 112 HD2 ARG 18 1HD ARG 18 -4.343 -11.469 -7.850 113 HD3 ARG 18 2HD ARG 18 -5.774 -12.404 -7.417 114 HE ARG 18 HE ARG 18 -6.396 -10.326 -9.260 115 HH11 ARG 18 2HH1 ARG 18 -5.005 -13.508 -9.012 116 HH12 ARG 18 1HH1 ARG 18 -5.392 -13.946 -10.643 117 HH21 ARG 18 2HH2 ARG 18 -6.911 -10.891 -11.409 118 HH22 ARG 18 1HH2 ARG 18 -6.475 -12.457 -12.006 119 H THR 19 H THR 19 -3.994 -8.107 -4.666 120 HA THR 19 HA THR 19 -5.268 -9.453 -2.616 121 HB THR 19 HB THR 19 -3.061 -7.402 -2.338 122 HG1 THR 19 1HG THR 19 -2.665 -9.243 -3.763 123 HG21 THR 19 1HG2 THR 19 -3.030 -7.836 -0.152 124 HG22 THR 19 2HG2 THR 19 -2.967 -9.572 -0.457 125 HG23 THR 19 3HG2 THR 19 -4.524 -8.751 -0.351 126 H LEU 20 H LEU 20 -5.053 -5.963 -3.175 127 HA LEU 20 HA LEU 20 -6.219 -5.083 -0.800 128 HB2 LEU 20 1HB LEU 20 -6.213 -3.925 -3.574 129 HB3 LEU 20 2HB LEU 20 -6.928 -3.087 -2.198 130 HG LEU 20 HG LEU 20 -4.063 -3.965 -2.129 131 HD11 LEU 20 1HD1 LEU 20 -4.454 -1.187 -2.865 132 HD12 LEU 20 2HD1 LEU 20 -5.029 -2.299 -4.106 133 HD13 LEU 20 3HD1 LEU 20 -3.361 -2.394 -3.540 134 HD21 LEU 20 1HD2 LEU 20 -5.870 -2.412 -0.481 135 HD22 LEU 20 2HD2 LEU 20 -4.408 -1.513 -0.886 136 HD23 LEU 20 3HD2 LEU 20 -4.286 -3.086 -0.096 137 H SER 21 H SER 21 -7.699 -6.137 -3.826 138 HA SER 21 HA SER 21 -10.358 -5.446 -3.119 139 HB2 SER 21 1HB SER 21 -9.443 -5.933 -5.458 140 HB3 SER 21 2HB SER 21 -9.590 -7.641 -5.043 141 HG SER 21 HG SER 21 -11.662 -5.707 -5.148 142 H GLU 22 H GLU 22 -8.542 -8.496 -2.982 143 HA GLU 22 HA GLU 22 -10.405 -10.292 -2.207 144 HB2 GLU 22 1HB GLU 22 -7.558 -9.895 -1.419 145 HB3 GLU 22 2HB GLU 22 -8.498 -11.094 -0.541 146 HG2 GLU 22 1HG GLU 22 -9.128 -11.885 -2.970 147 HG3 GLU 22 2HG GLU 22 -7.615 -11.076 -3.375 148 H ALA 23 H ALA 23 -9.004 -7.768 -0.187 149 HA ALA 23 HA ALA 23 -10.575 -8.622 2.114 150 HB1 ALA 23 1HB ALA 23 -9.418 -6.721 3.257 151 HB2 ALA 23 2HB ALA 23 -8.340 -7.962 2.616 152 HB3 ALA 23 3HB ALA 23 -8.536 -6.434 1.757 153 H GLY 24 H GLY 24 -10.379 -5.937 -0.176 154 HA2 GLY 24 1HA GLY 24 -12.405 -4.845 -0.897 155 HA3 GLY 24 2HA GLY 24 -13.067 -5.114 0.709 156 H LYS 25 H LYS 25 -9.916 -3.791 -0.242 157 HA LYS 25 HA LYS 25 -10.325 -1.550 1.549 158 HB2 LYS 25 1HB LYS 25 -7.964 -2.195 -0.227 159 HB3 LYS 25 2HB LYS 25 -8.000 -0.991 1.055 160 HG2 LYS 25 1HG LYS 25 -8.479 -3.913 1.559 161 HG3 LYS 25 2HG LYS 25 -6.875 -3.179 1.603 162 HD2 LYS 25 1HD LYS 25 -7.314 -2.005 3.519 163 HD3 LYS 25 2HD LYS 25 -9.045 -1.905 3.189 164 HE2 LYS 25 1HE LYS 25 -8.989 -4.480 3.557 165 HE3 LYS 25 2HE LYS 25 -7.465 -4.150 4.379 166 HZ1 LYS 25 1HZ LYS 25 -9.035 -2.324 5.503 167 HZ2 LYS 25 2HZ LYS 25 -8.821 -3.878 6.135 168 HZ3 LYS 25 3HZ LYS 25 -10.182 -3.530 5.193 169 H SER 26 H SER 26 -10.105 0.657 0.912 170 HA SER 26 HA SER 26 -11.169 1.142 -1.772 171 HB2 SER 26 1HB SER 26 -12.464 2.102 0.047 172 HB3 SER 26 2HB SER 26 -11.035 2.927 0.670 173 HG SER 26 HG SER 26 -11.774 3.404 -1.980 174 H THR 27 H THR 27 -8.247 0.734 -0.763 175 HA THR 27 HA THR 27 -7.126 3.136 -2.052 176 HB THR 27 HB THR 27 -5.012 2.618 -0.868 177 HG1 THR 27 1HG THR 27 -6.493 0.396 -0.117 178 HG21 THR 27 1HG2 THR 27 -6.207 4.244 0.265 179 HG22 THR 27 2HG2 THR 27 -6.013 3.012 1.513 180 HG23 THR 27 3HG2 THR 27 -7.539 3.151 0.640 181 H SER 28 H SER 28 -5.259 2.842 -3.414 182 HA SER 28 HA SER 28 -4.303 0.319 -4.226 183 HB2 SER 28 1HB SER 28 -5.311 0.390 -6.571 184 HB3 SER 28 2HB SER 28 -6.395 -0.103 -5.270 185 HG SER 28 HG SER 28 -7.563 1.616 -5.603 186 H ILE 29 H ILE 29 -2.567 0.488 -5.623 187 HA ILE 29 HA ILE 29 -1.787 3.244 -6.310 188 HB ILE 29 HB ILE 29 0.549 2.393 -6.327 189 HG12 ILE 29 1HG1 ILE 29 -0.340 -0.028 -4.825 190 HG13 ILE 29 2HG1 ILE 29 -0.428 -0.061 -6.582 191 HG21 ILE 29 1HG2 ILE 29 0.335 1.775 -3.685 192 HG22 ILE 29 2HG2 ILE 29 0.339 3.412 -4.341 193 HG23 ILE 29 3HG2 ILE 29 -1.190 2.611 -3.981 194 HD11 ILE 29 1HD1 ILE 29 2.039 0.478 -4.947 195 HD12 ILE 29 2HD1 ILE 29 1.650 -1.023 -5.788 196 HD13 ILE 29 3HD1 ILE 29 1.954 0.451 -6.708 197 H GLN 30 H GLN 30 -1.053 3.728 -8.347 198 HA GLN 30 HA GLN 30 -1.876 1.940 -10.449 199 HB2 GLN 30 1HB GLN 30 -0.564 4.661 -10.534 200 HB3 GLN 30 2HB GLN 30 -1.126 3.784 -11.950 201 HG2 GLN 30 1HG GLN 30 -3.400 3.893 -11.180 202 HG3 GLN 30 2HG GLN 30 -2.887 4.627 -9.662 203 HE21 GLN 30 1HE2 GLN 30 -4.768 5.904 -11.050 204 HE22 GLN 30 2HE2 GLN 30 -4.135 7.324 -11.804 205 H SER 31 H SER 31 1.173 3.182 -9.175 206 HA SER 31 HA SER 31 2.643 0.920 -9.991 207 HB2 SER 31 1HB SER 31 2.212 2.341 -12.178 208 HB3 SER 31 2HB SER 31 3.548 3.306 -11.550 209 HG SER 31 HG SER 31 3.869 1.263 -12.979 210 H PHE 32 H PHE 32 5.075 1.341 -9.757 211 HA PHE 32 HA PHE 32 5.574 2.386 -7.215 212 HB2 PHE 32 1HB PHE 32 7.742 2.170 -9.281 213 HB3 PHE 32 2HB PHE 32 7.817 1.819 -7.558 214 HD1 PHE 32 1HD PHE 32 6.045 -0.103 -6.852 215 HD2 PHE 32 2HD PHE 32 7.853 0.366 -10.677 216 HE1 PHE 32 1HE PHE 32 5.665 -2.488 -7.321 217 HE2 PHE 32 2HE PHE 32 7.475 -2.018 -11.152 218 HZ PHE 32 HZ PHE 32 6.379 -3.449 -9.473 219 H LYS 33 H LYS 33 5.081 4.014 -10.109 220 HA LYS 33 HA LYS 33 6.573 6.378 -9.196 221 HB2 LYS 33 1HB LYS 33 5.560 5.551 -11.911 222 HB3 LYS 33 2HB LYS 33 6.085 7.195 -11.571 223 HG2 LYS 33 1HG LYS 33 8.292 6.270 -10.875 224 HG3 LYS 33 2HG LYS 33 7.743 4.688 -11.431 225 HD2 LYS 33 1HD LYS 33 8.971 5.580 -13.228 226 HD3 LYS 33 2HD LYS 33 7.277 5.813 -13.668 227 HE2 LYS 33 1HE LYS 33 8.144 7.880 -14.167 228 HE3 LYS 33 2HE LYS 33 7.611 8.135 -12.506 229 HZ1 LYS 33 1HZ LYS 33 9.678 8.779 -12.085 230 HZ2 LYS 33 2HZ LYS 33 10.240 8.254 -13.591 231 HZ3 LYS 33 3HZ LYS 33 10.170 7.173 -12.292 232 H ASP 34 H ASP 34 3.907 5.380 -8.252 233 HA ASP 34 HA ASP 34 2.102 7.476 -9.174 234 HB2 ASP 34 1HB ASP 34 1.365 5.071 -8.829 235 HB3 ASP 34 2HB ASP 34 1.533 5.359 -7.099 236 H LYS 35 H LYS 35 1.226 9.060 -7.846 237 HA LYS 35 HA LYS 35 2.913 9.829 -5.615 238 HB2 LYS 35 1HB LYS 35 0.529 11.257 -6.805 239 HB3 LYS 35 2HB LYS 35 1.685 11.935 -5.667 240 HG2 LYS 35 1HG LYS 35 2.672 10.860 -8.263 241 HG3 LYS 35 2HG LYS 35 1.872 12.433 -8.224 242 HD2 LYS 35 1HD LYS 35 4.242 11.644 -6.529 243 HD3 LYS 35 2HD LYS 35 4.324 12.607 -8.006 244 HE2 LYS 35 1HE LYS 35 2.594 14.122 -6.780 245 HE3 LYS 35 2HE LYS 35 3.200 13.324 -5.330 246 HZ1 LYS 35 1HZ LYS 35 5.355 14.142 -5.713 247 HZ2 LYS 35 2HZ LYS 35 4.327 15.461 -5.972 248 HZ3 LYS 35 3HZ LYS 35 4.991 14.635 -7.290 249 H THR 36 H THR 36 1.030 7.518 -5.451 250 HA THR 36 HA THR 36 -0.749 8.465 -3.310 251 HB THR 36 HB THR 36 -2.015 6.417 -3.591 252 HG1 THR 36 1HG THR 36 0.206 5.701 -5.119 253 HG21 THR 36 1HG2 THR 36 -3.045 7.747 -5.087 254 HG22 THR 36 2HG2 THR 36 -2.264 6.724 -6.294 255 HG23 THR 36 3HG2 THR 36 -1.525 8.255 -5.823 256 H ILE 37 H ILE 37 1.952 6.399 -4.016 257 HA ILE 37 HA ILE 37 1.882 4.775 -1.711 258 HB ILE 37 HB ILE 37 4.306 5.641 -3.292 259 HG12 ILE 37 1HG1 ILE 37 2.858 3.029 -3.615 260 HG13 ILE 37 2HG1 ILE 37 2.310 4.460 -4.481 261 HG21 ILE 37 1HG2 ILE 37 5.520 4.410 -1.902 262 HG22 ILE 37 2HG2 ILE 37 4.087 4.159 -0.906 263 HG23 ILE 37 3HG2 ILE 37 4.482 3.013 -2.187 264 HD11 ILE 37 1HD1 ILE 37 3.818 4.077 -6.044 265 HD12 ILE 37 2HD1 ILE 37 5.106 4.245 -4.850 266 HD13 ILE 37 3HD1 ILE 37 4.389 2.663 -5.157 267 H SER 38 H SER 38 3.115 7.996 -2.310 268 HA SER 38 HA SER 38 4.802 8.341 -0.140 269 HB2 SER 38 1HB SER 38 4.274 10.757 -0.326 270 HB3 SER 38 2HB SER 38 4.586 10.020 -1.897 271 HG SER 38 HG SER 38 2.672 10.636 -2.465 272 H SER 39 H SER 39 1.302 8.367 -0.281 273 HA SER 39 HA SER 39 0.943 9.394 2.371 274 HB2 SER 39 1HB SER 39 -1.403 8.954 2.038 275 HB3 SER 39 2HB SER 39 -0.755 9.603 0.532 276 HG SER 39 HG SER 39 -1.097 7.745 -0.427 277 H SER 40 H SER 40 1.603 6.315 1.014 278 HA SER 40 HA SER 40 1.851 4.236 1.904 279 HB2 SER 40 1HB SER 40 1.862 5.652 4.578 280 HB3 SER 40 2HB SER 40 2.543 4.066 4.215 281 HG SER 40 HG SER 40 3.435 6.252 2.724 282 H LEU 41 H LEU 41 -0.837 5.418 1.564 283 HA LEU 41 HA LEU 41 -2.426 4.291 3.705 284 HB2 LEU 41 1HB LEU 41 -3.245 5.529 1.082 285 HB3 LEU 41 2HB LEU 41 -4.343 5.070 2.381 286 HG LEU 41 HG LEU 41 -2.215 7.202 2.570 287 HD11 LEU 41 1HD1 LEU 41 -3.660 8.562 1.588 288 HD12 LEU 41 2HD1 LEU 41 -4.811 8.247 2.887 289 HD13 LEU 41 3HD1 LEU 41 -4.833 7.254 1.429 290 HD21 LEU 41 1HD2 LEU 41 -3.861 7.704 4.602 291 HD22 LEU 41 2HD2 LEU 41 -2.465 6.638 4.756 292 HD23 LEU 41 3HD2 LEU 41 -4.074 5.956 4.513 293 H ALA 42 H ALA 42 -1.546 3.512 0.396 294 HA ALA 42 HA ALA 42 -3.362 1.306 0.168 295 HB1 ALA 42 1HB ALA 42 -2.684 2.440 -1.832 296 HB2 ALA 42 2HB ALA 42 -0.983 2.118 -1.493 297 HB3 ALA 42 3HB ALA 42 -2.069 0.788 -1.892 298 H VAL 43 H VAL 43 0.129 1.628 0.743 299 HA VAL 43 HA VAL 43 0.818 -1.057 0.802 300 HB VAL 43 HB VAL 43 1.967 1.143 2.525 301 HG11 VAL 43 1HG1 VAL 43 3.907 -0.214 2.768 302 HG12 VAL 43 2HG1 VAL 43 2.517 -1.215 3.192 303 HG13 VAL 43 3HG1 VAL 43 3.294 -1.404 1.620 304 HG21 VAL 43 1HG2 VAL 43 2.001 0.768 -0.295 305 HG22 VAL 43 2HG2 VAL 43 2.805 2.013 0.662 306 HG23 VAL 43 3HG2 VAL 43 3.628 0.490 0.326 307 H VAL 44 H VAL 44 -0.258 1.006 3.493 308 HA VAL 44 HA VAL 44 -0.125 -0.943 5.503 309 HB VAL 44 HB VAL 44 -2.006 1.415 5.327 310 HG11 VAL 44 1HG1 VAL 44 -2.626 1.063 7.476 311 HG12 VAL 44 2HG1 VAL 44 -2.248 -0.611 7.066 312 HG13 VAL 44 3HG1 VAL 44 -1.067 0.375 7.929 313 HG21 VAL 44 1HG2 VAL 44 0.535 1.792 5.165 314 HG22 VAL 44 2HG2 VAL 44 -0.374 2.726 6.353 315 HG23 VAL 44 3HG2 VAL 44 0.566 1.325 6.865 316 H ASP 45 H ASP 45 -2.801 0.016 3.383 317 HA ASP 45 HA ASP 45 -4.755 -1.665 4.497 318 HB2 ASP 45 1HB ASP 45 -4.420 -0.346 1.823 319 HB3 ASP 45 2HB ASP 45 -5.742 -1.481 2.087 320 H LEU 46 H LEU 46 -2.202 -2.260 2.191 321 HA LEU 46 HA LEU 46 -3.141 -4.698 1.141 322 HB2 LEU 46 1HB LEU 46 -1.335 -3.392 0.129 323 HB3 LEU 46 2HB LEU 46 -0.304 -3.746 1.514 324 HG LEU 46 HG LEU 46 -0.748 -6.239 0.791 325 HD11 LEU 46 1HD1 LEU 46 -0.642 -6.086 -1.845 326 HD12 LEU 46 2HD1 LEU 46 -1.585 -4.624 -1.556 327 HD13 LEU 46 3HD1 LEU 46 -2.177 -6.183 -0.981 328 HD21 LEU 46 1HD2 LEU 46 1.140 -5.313 -1.118 329 HD22 LEU 46 2HD2 LEU 46 1.436 -6.073 0.446 330 HD23 LEU 46 3HD2 LEU 46 1.288 -4.319 0.331 331 H ILE 47 H ILE 47 -0.501 -4.250 3.501 332 HA ILE 47 HA ILE 47 0.014 -6.730 4.326 333 HB ILE 47 HB ILE 47 -0.463 -4.390 6.172 334 HG12 ILE 47 1HG1 ILE 47 2.221 -5.430 5.354 335 HG13 ILE 47 2HG1 ILE 47 1.323 -4.408 4.236 336 HG21 ILE 47 1HG2 ILE 47 0.620 -7.128 6.662 337 HG22 ILE 47 2HG2 ILE 47 1.248 -5.761 7.581 338 HG23 ILE 47 3HG2 ILE 47 -0.469 -6.156 7.653 339 HD11 ILE 47 1HD1 ILE 47 1.380 -2.580 5.697 340 HD12 ILE 47 2HD1 ILE 47 1.861 -3.583 7.066 341 HD13 ILE 47 3HD1 ILE 47 3.000 -3.274 5.756 342 H ASP 48 H ASP 48 -2.750 -4.855 5.562 343 HA ASP 48 HA ASP 48 -3.857 -6.580 7.340 344 HB2 ASP 48 1HB ASP 48 -4.878 -4.441 6.921 345 HB3 ASP 48 2HB ASP 48 -5.273 -4.898 5.266 346 H ALA 49 H ALA 49 -4.829 -6.550 3.905 347 HA ALA 49 HA ALA 49 -6.415 -8.706 3.732 348 HB1 ALA 49 1HB ALA 49 -5.574 -7.237 1.847 349 HB2 ALA 49 2HB ALA 49 -4.194 -8.331 1.741 350 HB3 ALA 49 3HB ALA 49 -5.826 -8.939 1.462 351 H ILE 50 H ILE 50 -2.859 -8.912 3.568 352 HA ILE 50 HA ILE 50 -2.772 -11.739 3.508 353 HB ILE 50 HB ILE 50 -0.624 -9.825 4.431 354 HG12 ILE 50 1HG1 ILE 50 -0.669 -11.093 1.726 355 HG13 ILE 50 2HG1 ILE 50 -1.705 -9.700 2.017 356 HG21 ILE 50 1HG2 ILE 50 -0.716 -12.601 4.593 357 HG22 ILE 50 2HG2 ILE 50 0.268 -12.264 3.170 358 HG23 ILE 50 3HG2 ILE 50 0.713 -11.577 4.732 359 HD11 ILE 50 1HD1 ILE 50 0.102 -8.563 1.334 360 HD12 ILE 50 2HD1 ILE 50 0.622 -8.781 3.005 361 HD13 ILE 50 3HD1 ILE 50 1.213 -9.868 1.748 362 H GLN 51 H GLN 51 -1.744 -9.571 6.152 363 HA GLN 51 HA GLN 51 -2.644 -11.635 8.053 364 HB2 GLN 51 1HB GLN 51 -0.243 -11.555 8.099 365 HB3 GLN 51 2HB GLN 51 -0.252 -9.800 8.213 366 HG2 GLN 51 1HG GLN 51 -1.070 -9.854 10.430 367 HG3 GLN 51 2HG GLN 51 -1.439 -11.575 10.324 368 HE21 GLN 51 1HE2 GLN 51 0.181 -10.234 12.284 369 HE22 GLN 51 2HE2 GLN 51 1.764 -10.916 12.178 370 HA PRO 52 HA PRO 52 -5.111 -7.828 8.872 371 HB2 PRO 52 1HB PRO 52 -7.396 -9.175 9.451 372 HB3 PRO 52 2HB PRO 52 -6.925 -8.747 7.802 373 HG2 PRO 52 1HG PRO 52 -6.619 -11.353 9.243 374 HG3 PRO 52 2HG PRO 52 -7.143 -11.051 7.576 375 HD2 PRO 52 1HD PRO 52 -4.627 -11.840 8.192 376 HD3 PRO 52 2HD PRO 52 -4.985 -10.780 6.813 377 H GLY 53 H GLY 53 -6.318 -7.232 10.858 378 HA2 GLY 53 1HA GLY 53 -6.802 -7.450 13.147 379 HA3 GLY 53 2HA GLY 53 -5.837 -8.918 13.189 380 H CYS 54 H CYS 54 -3.636 -7.445 11.741 381 HA CYS 54 HA CYS 54 -2.418 -6.340 14.145 382 HB2 CYS 54 1HB CYS 54 -0.328 -6.601 13.057 383 HB3 CYS 54 2HB CYS 54 -1.263 -8.030 12.635 384 HG CYS 54 HG CYS 54 -1.915 -7.125 10.071 385 H ILE 55 H ILE 55 -3.454 -5.350 10.945 386 HA ILE 55 HA ILE 55 -2.261 -2.754 11.057 387 HB ILE 55 HB ILE 55 -4.512 -3.754 9.309 388 HG12 ILE 55 1HG1 ILE 55 -2.319 -4.977 9.122 389 HG13 ILE 55 2HG1 ILE 55 -2.849 -4.191 7.639 390 HG21 ILE 55 1HG2 ILE 55 -3.641 -1.846 7.828 391 HG22 ILE 55 2HG2 ILE 55 -4.644 -1.429 9.216 392 HG23 ILE 55 3HG2 ILE 55 -2.894 -1.231 9.303 393 HD11 ILE 55 1HD1 ILE 55 -0.956 -2.826 9.506 394 HD12 ILE 55 2HD1 ILE 55 -0.387 -4.003 8.322 395 HD13 ILE 55 3HD1 ILE 55 -1.223 -2.546 7.786 396 H ASN 56 H ASN 56 -2.907 -1.150 12.319 397 HA ASN 56 HA ASN 56 -5.754 -0.997 13.060 398 HB2 ASN 56 1HB ASN 56 -3.913 -1.388 14.863 399 HB3 ASN 56 2HB ASN 56 -3.573 0.326 14.643 400 HD21 ASN 56 1HD2 ASN 56 -4.214 0.806 16.739 401 HD22 ASN 56 2HD2 ASN 56 -5.875 0.811 17.214 402 H TYR 57 H TYR 57 -6.566 0.372 11.552 403 HA TYR 57 HA TYR 57 -5.258 2.567 10.419 404 HB2 TYR 57 1HB TYR 57 -8.207 2.022 10.790 405 HB3 TYR 57 2HB TYR 57 -7.571 3.344 9.818 406 HD1 TYR 57 2HD TYR 57 -5.430 2.245 8.296 407 HD2 TYR 57 1HD TYR 57 -9.086 0.385 9.426 408 HE1 TYR 57 2HE TYR 57 -5.257 0.742 6.357 409 HE2 TYR 57 1HE TYR 57 -8.923 -1.125 7.491 410 HH TYR 57 HH TYR 57 -6.415 -1.866 5.944 411 H ASP 58 H ASP 58 -7.232 2.296 13.320 412 HA ASP 58 HA ASP 58 -7.872 4.800 14.024 413 HB2 ASP 58 1HB ASP 58 -6.423 2.956 15.931 414 HB3 ASP 58 2HB ASP 58 -7.597 4.203 16.342 415 H LEU 59 H LEU 59 -4.625 3.556 13.776 416 HA LEU 59 HA LEU 59 -3.514 6.043 14.849 417 HB2 LEU 59 1HB LEU 59 -1.976 3.633 13.920 418 HB3 LEU 59 2HB LEU 59 -1.429 4.931 14.980 419 HG LEU 59 HG LEU 59 -3.600 3.003 15.768 420 HD11 LEU 59 1HD1 LEU 59 -0.696 2.611 15.639 421 HD12 LEU 59 2HD1 LEU 59 -2.002 1.430 15.730 422 HD13 LEU 59 3HD1 LEU 59 -1.431 2.226 17.196 423 HD21 LEU 59 1HD2 LEU 59 -1.763 4.409 17.641 424 HD22 LEU 59 2HD2 LEU 59 -3.435 3.896 17.869 425 HD23 LEU 59 3HD2 LEU 59 -3.075 5.322 16.895 426 H VAL 60 H VAL 60 -3.705 4.142 11.898 427 HA VAL 60 HA VAL 60 -1.859 5.560 10.341 428 HB VAL 60 HB VAL 60 -4.380 4.142 9.469 429 HG11 VAL 60 1HG1 VAL 60 -2.347 4.161 7.475 430 HG12 VAL 60 2HG1 VAL 60 -3.980 4.823 7.395 431 HG13 VAL 60 3HG1 VAL 60 -2.651 5.821 7.987 432 HG21 VAL 60 1HG2 VAL 60 -3.155 2.204 9.290 433 HG22 VAL 60 2HG2 VAL 60 -1.620 3.058 9.139 434 HG23 VAL 60 3HG2 VAL 60 -2.410 2.937 10.711 435 H LYS 61 H LYS 61 -1.892 7.507 9.419 436 HA LYS 61 HA LYS 61 -4.219 9.200 9.799 437 HB2 LYS 61 1HB LYS 61 -1.374 9.661 8.975 438 HB3 LYS 61 2HB LYS 61 -2.586 10.894 8.653 439 HG2 LYS 61 1HG LYS 61 -2.272 9.749 11.398 440 HG3 LYS 61 2HG LYS 61 -1.201 11.028 10.822 441 HD2 LYS 61 1HD LYS 61 -3.008 12.531 10.523 442 HD3 LYS 61 2HD LYS 61 -4.202 11.246 10.717 443 HE2 LYS 61 1HE LYS 61 -3.506 10.973 13.056 444 HE3 LYS 61 2HE LYS 61 -2.338 12.277 12.854 445 HZ1 LYS 61 1HZ LYS 61 -4.179 13.288 13.818 446 HZ2 LYS 61 2HZ LYS 61 -5.287 12.437 12.865 447 HZ3 LYS 61 3HZ LYS 61 -4.347 13.665 12.177 448 H SER 62 H SER 62 -4.823 10.698 7.959 449 HA SER 62 HA SER 62 -4.430 9.734 5.281 450 HB2 SER 62 1HB SER 62 -7.212 9.540 6.458 451 HB3 SER 62 2HB SER 62 -6.738 9.145 4.806 452 HG SER 62 HG SER 62 -6.744 7.227 5.841 453 H GLY 63 H GLY 63 -5.646 11.057 3.683 454 HA2 GLY 63 1HA GLY 63 -6.725 13.033 3.019 455 HA3 GLY 63 2HA GLY 63 -6.697 13.583 4.688 456 H ASN 64 H ASN 64 -5.462 15.300 4.992 457 HA ASN 64 HA ASN 64 -3.336 15.902 3.096 458 HB2 ASN 64 1HB ASN 64 -4.341 17.563 5.417 459 HB3 ASN 64 2HB ASN 64 -3.298 18.108 4.107 460 HD21 ASN 64 1HD2 ASN 64 -4.304 19.262 2.646 461 HD22 ASN 64 2HD2 ASN 64 -5.955 19.094 2.165 462 H LEU 65 H LEU 65 -1.690 14.489 3.627 463 HA LEU 65 HA LEU 65 -0.692 14.453 6.366 464 HB2 LEU 65 1HB LEU 65 0.462 12.979 4.017 465 HB3 LEU 65 2HB LEU 65 0.640 12.611 5.731 466 HG LEU 65 HG LEU 65 -1.948 12.360 4.203 467 HD11 LEU 65 1HD1 LEU 65 -1.443 10.255 3.619 468 HD12 LEU 65 2HD1 LEU 65 -0.573 9.937 5.119 469 HD13 LEU 65 3HD1 LEU 65 0.228 10.790 3.799 470 HD21 LEU 65 1HD2 LEU 65 -1.219 12.211 7.000 471 HD22 LEU 65 2HD2 LEU 65 -1.949 10.709 6.433 472 HD23 LEU 65 3HD2 LEU 65 -2.815 12.235 6.249 473 H THR 66 H THR 66 0.682 15.984 6.960 474 HA THR 66 HA THR 66 2.158 17.559 5.089 475 HB THR 66 HB THR 66 3.175 18.611 7.087 476 HG1 THR 66 1HG THR 66 1.971 16.400 8.315 477 HG21 THR 66 1HG2 THR 66 0.738 19.031 8.195 478 HG22 THR 66 2HG2 THR 66 0.276 18.373 6.625 479 HG23 THR 66 3HG2 THR 66 1.297 19.808 6.714 480 H GLU 67 H GLU 67 4.551 17.903 5.352 481 HA GLU 67 HA GLU 67 6.054 15.829 4.545 482 HB2 GLU 67 1HB GLU 67 8.039 16.972 5.488 483 HB3 GLU 67 2HB GLU 67 6.956 18.070 4.645 484 HG2 GLU 67 1HG GLU 67 6.088 18.900 6.720 485 HG3 GLU 67 2HG GLU 67 7.004 17.700 7.629 486 H ASP 68 H ASP 68 5.183 16.525 7.878 487 HA ASP 68 HA ASP 68 6.834 14.430 8.961 488 HB2 ASP 68 1HB ASP 68 6.425 16.337 10.361 489 HB3 ASP 68 2HB ASP 68 4.681 16.167 10.175 490 H ASP 69 H ASP 69 3.321 14.930 8.636 491 HA ASP 69 HA ASP 69 2.406 12.544 9.636 492 HB2 ASP 69 1HB ASP 69 1.339 14.091 7.265 493 HB3 ASP 69 2HB ASP 69 0.460 12.817 8.106 494 H LYS 70 H LYS 70 3.172 13.187 6.212 495 HA LYS 70 HA LYS 70 2.720 10.741 5.109 496 HB2 LYS 70 1HB LYS 70 4.746 12.863 4.561 497 HB3 LYS 70 2HB LYS 70 4.899 11.327 3.719 498 HG2 LYS 70 1HG LYS 70 2.623 11.584 2.850 499 HG3 LYS 70 2HG LYS 70 2.493 13.139 3.676 500 HD2 LYS 70 1HD LYS 70 4.690 13.676 2.347 501 HD3 LYS 70 2HD LYS 70 4.122 12.380 1.292 502 HE2 LYS 70 1HE LYS 70 2.123 13.539 0.790 503 HE3 LYS 70 2HE LYS 70 2.378 14.695 2.096 504 HZ1 LYS 70 1HZ LYS 70 3.866 14.488 -0.457 505 HZ2 LYS 70 2HZ LYS 70 4.415 15.415 0.847 506 HZ3 LYS 70 3HZ LYS 70 2.942 15.789 0.104 507 H HIS 71 H HIS 71 5.628 11.733 6.878 508 HA HIS 71 HA HIS 71 7.084 9.355 6.517 509 HB2 HIS 71 1HB HIS 71 7.199 11.629 8.449 510 HB3 HIS 71 2HB HIS 71 8.124 10.175 8.809 511 HD1 HIS 71 1HD HIS 71 9.469 9.397 6.348 512 HD2 HIS 71 2HD HIS 71 8.823 13.403 7.243 513 HE1 HIS 71 1HE HIS 71 11.159 10.671 4.989 514 HE2 HIS 71 2HE HIS 71 10.805 13.086 5.612 515 H ASN 72 H ASN 72 4.953 10.397 9.164 516 HA ASN 72 HA ASN 72 5.241 8.217 10.846 517 HB2 ASN 72 1HB ASN 72 2.921 10.060 10.317 518 HB3 ASN 72 2HB ASN 72 2.805 8.763 11.502 519 HD21 ASN 72 1HD2 ASN 72 3.931 11.899 10.845 520 HD22 ASN 72 2HD2 ASN 72 4.718 12.189 12.356 521 H ASN 73 H ASN 73 2.753 8.671 8.331 522 HA ASN 73 HA ASN 73 1.490 6.221 8.561 523 HB2 ASN 73 1HB ASN 73 1.964 7.840 6.048 524 HB3 ASN 73 2HB ASN 73 0.779 6.547 6.212 525 HD21 ASN 73 1HD2 ASN 73 -1.142 7.471 6.190 526 HD22 ASN 73 2HD2 ASN 73 -1.624 8.824 7.151 527 H ALA 74 H ALA 74 4.284 7.081 6.545 528 HA ALA 74 HA ALA 74 4.615 4.597 5.295 529 HB1 ALA 74 1HB ALA 74 6.126 5.810 4.219 530 HB2 ALA 74 2HB ALA 74 6.041 7.067 5.454 531 HB3 ALA 74 3HB ALA 74 7.172 5.726 5.637 532 H LYS 75 H LYS 75 6.413 5.915 8.083 533 HA LYS 75 HA LYS 75 7.978 3.801 8.748 534 HB2 LYS 75 1HB LYS 75 6.574 5.863 10.382 535 HB3 LYS 75 2HB LYS 75 7.359 4.534 11.224 536 HG2 LYS 75 1HG LYS 75 9.459 5.106 9.991 537 HG3 LYS 75 2HG LYS 75 8.635 6.547 9.391 538 HD2 LYS 75 1HD LYS 75 8.814 5.931 12.326 539 HD3 LYS 75 2HD LYS 75 10.097 6.797 11.478 540 HE2 LYS 75 1HE LYS 75 8.247 8.365 10.666 541 HE3 LYS 75 2HE LYS 75 7.240 7.622 11.907 542 HZ1 LYS 75 1HZ LYS 75 8.653 9.758 12.397 543 HZ2 LYS 75 2HZ LYS 75 9.875 8.627 12.690 544 HZ3 LYS 75 3HZ LYS 75 8.437 8.566 13.578 545 H TYR 76 H TYR 76 4.693 4.280 10.061 546 HA TYR 76 HA TYR 76 4.384 1.986 11.490 547 HB2 TYR 76 1HB TYR 76 2.700 3.852 11.178 548 HB3 TYR 76 2HB TYR 76 2.217 3.059 9.682 549 HD1 TYR 76 1HD TYR 76 2.846 2.056 13.235 550 HD2 TYR 76 2HD TYR 76 0.316 1.776 9.826 551 HE1 TYR 76 1HE TYR 76 1.308 0.615 14.503 552 HE2 TYR 76 2HE TYR 76 -1.231 0.336 11.084 553 HH TYR 76 HH TYR 76 -0.517 -0.657 14.415 554 H ALA 77 H ALA 77 3.669 2.336 8.018 555 HA ALA 77 HA ALA 77 2.902 -0.279 7.495 556 HB1 ALA 77 1HB ALA 77 4.216 0.487 5.195 557 HB2 ALA 77 2HB ALA 77 2.525 0.806 5.584 558 HB3 ALA 77 3HB ALA 77 3.755 2.020 5.936 559 H VAL 78 H VAL 78 6.143 1.145 7.536 560 HA VAL 78 HA VAL 78 7.557 -1.074 6.571 561 HB VAL 78 HB VAL 78 8.465 1.074 8.491 562 HG11 VAL 78 1HG1 VAL 78 10.261 -0.218 8.786 563 HG12 VAL 78 2HG1 VAL 78 9.801 -1.305 7.474 564 HG13 VAL 78 3HG1 VAL 78 10.679 0.184 7.121 565 HG21 VAL 78 1HG2 VAL 78 7.677 1.844 6.263 566 HG22 VAL 78 2HG2 VAL 78 9.385 2.170 6.558 567 HG23 VAL 78 3HG2 VAL 78 8.911 0.827 5.519 568 H SER 79 H SER 79 6.867 -0.080 9.918 569 HA SER 79 HA SER 79 8.139 -2.305 11.120 570 HB2 SER 79 1HB SER 79 7.686 -0.223 12.349 571 HB3 SER 79 2HB SER 79 5.953 -0.521 12.222 572 HG SER 79 HG SER 79 6.588 -1.279 14.198 573 H MET 80 H MET 80 4.862 -1.711 10.001 574 HA MET 80 HA MET 80 3.648 -3.963 11.191 575 HB2 MET 80 1HB MET 80 2.909 -2.392 8.719 576 HB3 MET 80 2HB MET 80 1.889 -3.632 9.435 577 HG2 MET 80 1HG MET 80 2.817 -1.463 11.216 578 HG3 MET 80 2HG MET 80 1.629 -1.044 9.984 579 HE1 MET 80 1HE MET 80 2.301 -3.967 12.669 580 HE2 MET 80 2HE MET 80 0.698 -4.697 12.592 581 HE3 MET 80 3HE MET 80 1.713 -4.645 11.150 582 H ALA 81 H ALA 81 4.666 -3.468 7.805 583 HA ALA 81 HA ALA 81 4.266 -6.110 6.973 584 HB1 ALA 81 1HB ALA 81 4.542 -4.868 5.122 585 HB2 ALA 81 2HB ALA 81 5.637 -3.737 5.918 586 HB3 ALA 81 3HB ALA 81 6.245 -5.280 5.321 587 H ARG 82 H ARG 82 7.109 -4.519 8.346 588 HA ARG 82 HA ARG 82 8.870 -6.718 8.001 589 HB2 ARG 82 1HB ARG 82 9.858 -4.582 8.302 590 HB3 ARG 82 2HB ARG 82 8.940 -4.282 9.772 591 HG2 ARG 82 1HG ARG 82 10.295 -5.635 11.055 592 HG3 ARG 82 2HG ARG 82 10.862 -6.562 9.664 593 HD2 ARG 82 1HD ARG 82 11.980 -4.412 8.889 594 HD3 ARG 82 2HD ARG 82 11.648 -3.785 10.503 595 HE ARG 82 HE ARG 82 12.912 -6.103 11.025 596 HH11 ARG 82 2HH1 ARG 82 13.668 -3.424 8.934 597 HH12 ARG 82 1HH1 ARG 82 15.383 -3.627 9.078 598 HH21 ARG 82 2HH2 ARG 82 15.167 -6.380 11.223 599 HH22 ARG 82 1HH2 ARG 82 16.234 -5.309 10.380 600 H ARG 83 H ARG 83 6.804 -5.644 10.660 601 HA ARG 83 HA ARG 83 7.689 -7.459 12.603 602 HB2 ARG 83 1HB ARG 83 6.295 -5.550 13.172 603 HB3 ARG 83 2HB ARG 83 4.965 -6.205 12.227 604 HG2 ARG 83 1HG ARG 83 6.067 -7.875 14.418 605 HG3 ARG 83 2HG ARG 83 5.082 -6.474 14.848 606 HD2 ARG 83 1HD ARG 83 3.271 -7.304 13.442 607 HD3 ARG 83 2HD ARG 83 4.259 -8.686 12.969 608 HE ARG 83 HE ARG 83 2.862 -8.314 15.473 609 HH11 ARG 83 2HH1 ARG 83 5.342 -10.052 13.755 610 HH12 ARG 83 1HH1 ARG 83 5.318 -11.409 14.831 611 HH21 ARG 83 2HH2 ARG 83 2.822 -10.096 16.897 612 HH22 ARG 83 1HH2 ARG 83 3.884 -11.433 16.617 613 H ILE 84 H ILE 84 5.019 -7.707 10.269 614 HA ILE 84 HA ILE 84 4.144 -10.263 11.063 615 HB ILE 84 HB ILE 84 3.037 -10.377 8.856 616 HG12 ILE 84 1HG1 ILE 84 4.224 -7.661 8.302 617 HG13 ILE 84 2HG1 ILE 84 4.950 -9.144 7.693 618 HG21 ILE 84 1HG2 ILE 84 2.510 -8.671 10.954 619 HG22 ILE 84 2HG2 ILE 84 2.397 -7.625 9.539 620 HG23 ILE 84 3HG2 ILE 84 1.403 -9.078 9.643 621 HD11 ILE 84 1HD1 ILE 84 3.290 -7.759 6.230 622 HD12 ILE 84 2HD1 ILE 84 3.253 -9.523 6.209 623 HD13 ILE 84 3HD1 ILE 84 2.070 -8.627 7.162 624 H GLY 85 H GLY 85 6.749 -9.209 9.011 625 HA2 GLY 85 1HA GLY 85 8.557 -10.965 8.912 626 HA3 GLY 85 2HA GLY 85 7.294 -12.025 8.302 627 H ALA 86 H ALA 86 8.943 -8.957 7.605 628 HA ALA 86 HA ALA 86 8.787 -9.638 4.748 629 HB1 ALA 86 1HB ALA 86 8.295 -6.914 5.945 630 HB2 ALA 86 2HB ALA 86 8.426 -7.260 4.220 631 HB3 ALA 86 3HB ALA 86 7.102 -7.950 5.160 632 H ARG 87 H ARG 87 10.916 -10.332 4.692 633 HA ARG 87 HA ARG 87 13.165 -9.409 5.826 634 HB2 ARG 87 1HB ARG 87 13.175 -11.250 4.234 635 HB3 ARG 87 2HB ARG 87 12.851 -10.139 2.910 636 HG2 ARG 87 1HG ARG 87 14.993 -9.368 2.846 637 HG3 ARG 87 2HG ARG 87 15.267 -9.662 4.565 638 HD2 ARG 87 1HD ARG 87 15.105 -12.154 3.945 639 HD3 ARG 87 2HD ARG 87 15.333 -11.609 2.284 640 HE ARG 87 HE ARG 87 17.337 -10.468 3.863 641 HH11 ARG 87 2HH1 ARG 87 16.327 -13.598 2.723 642 HH12 ARG 87 1HH1 ARG 87 17.927 -14.263 2.732 643 HH21 ARG 87 2HH2 ARG 87 19.449 -11.331 3.879 644 HH22 ARG 87 1HH2 ARG 87 19.702 -12.972 3.390 645 H VAL 88 H VAL 88 11.544 -7.900 3.066 646 HA VAL 88 HA VAL 88 13.232 -6.017 2.184 647 HB VAL 88 HB VAL 88 10.858 -6.198 1.489 648 HG11 VAL 88 1HG1 VAL 88 9.928 -4.285 3.512 649 HG12 VAL 88 2HG1 VAL 88 9.111 -5.680 2.805 650 HG13 VAL 88 3HG1 VAL 88 10.263 -5.905 4.122 651 HG21 VAL 88 1HG2 VAL 88 12.264 -3.655 1.999 652 HG22 VAL 88 2HG2 VAL 88 11.670 -4.341 0.487 653 HG23 VAL 88 3HG2 VAL 88 10.555 -3.526 1.584 654 H TYR 89 H TYR 89 14.579 -4.651 3.133 655 HA TYR 89 HA TYR 89 13.823 -3.500 5.736 656 HB2 TYR 89 1HB TYR 89 16.379 -3.078 5.867 657 HB3 TYR 89 2HB TYR 89 15.778 -4.711 6.132 658 HD1 TYR 89 1HD TYR 89 17.013 -2.535 3.355 659 HD2 TYR 89 2HD TYR 89 16.797 -6.451 5.005 660 HE1 TYR 89 1HE TYR 89 18.489 -3.362 1.570 661 HE2 TYR 89 2HE TYR 89 18.274 -7.288 3.225 662 HH TYR 89 HH TYR 89 20.210 -5.663 1.524 663 H ALA 90 H ALA 90 12.848 -2.359 3.372 664 HA ALA 90 HA ALA 90 14.473 -0.203 2.473 665 HB1 ALA 90 1HB ALA 90 11.674 0.329 2.125 666 HB2 ALA 90 2HB ALA 90 12.900 -0.049 0.915 667 HB3 ALA 90 3HB ALA 90 12.030 -1.352 1.725 668 H LEU 91 H LEU 91 14.517 1.923 3.079 669 HA LEU 91 HA LEU 91 13.776 2.530 5.766 670 HB2 LEU 91 1HB LEU 91 14.625 4.524 3.687 671 HB3 LEU 91 2HB LEU 91 14.830 4.616 5.435 672 HG LEU 91 HG LEU 91 16.278 2.684 3.625 673 HD11 LEU 91 1HD1 LEU 91 17.997 4.550 4.898 674 HD12 LEU 91 2HD1 LEU 91 16.723 5.447 4.072 675 HD13 LEU 91 3HD1 LEU 91 17.719 4.303 3.173 676 HD21 LEU 91 1HD2 LEU 91 15.781 2.397 6.274 677 HD22 LEU 91 2HD2 LEU 91 17.295 3.303 6.311 678 HD23 LEU 91 3HD2 LEU 91 17.207 1.764 5.452 679 HA PRO 92 HA PRO 92 9.764 4.236 5.234 680 HB2 PRO 92 1HB PRO 92 9.755 6.123 7.185 681 HB3 PRO 92 2HB PRO 92 9.666 4.391 7.524 682 HG2 PRO 92 1HG PRO 92 12.031 6.222 7.633 683 HG3 PRO 92 2HG PRO 92 11.547 4.951 8.771 684 HD2 PRO 92 1HD PRO 92 13.486 4.585 6.916 685 HD3 PRO 92 2HD PRO 92 12.425 3.270 7.460 686 H GLU 93 H GLU 93 12.579 6.040 4.662 687 HA GLU 93 HA GLU 93 11.247 8.516 3.989 688 HB2 GLU 93 1HB GLU 93 14.099 7.624 3.529 689 HB3 GLU 93 2HB GLU 93 13.487 9.248 3.252 690 HG2 GLU 93 1HG GLU 93 13.064 9.561 5.582 691 HG3 GLU 93 2HG GLU 93 13.437 7.873 5.925 692 H ASP 94 H ASP 94 12.505 5.695 2.331 693 HA ASP 94 HA ASP 94 12.515 6.642 -0.292 694 HB2 ASP 94 1HB ASP 94 11.736 3.838 0.513 695 HB3 ASP 94 2HB ASP 94 12.506 4.355 -0.985 696 H LEU 95 H LEU 95 9.896 5.093 1.543 697 HA LEU 95 HA LEU 95 7.982 5.028 -0.482 698 HB2 LEU 95 1HB LEU 95 7.543 5.431 2.474 699 HB3 LEU 95 2HB LEU 95 6.323 4.914 1.312 700 HG LEU 95 HG LEU 95 8.812 3.306 1.809 701 HD11 LEU 95 1HD1 LEU 95 7.129 3.867 3.836 702 HD12 LEU 95 2HD1 LEU 95 7.989 2.337 3.666 703 HD13 LEU 95 3HD1 LEU 95 6.315 2.472 3.127 704 HD21 LEU 95 1HD2 LEU 95 7.295 1.477 1.043 705 HD22 LEU 95 2HD2 LEU 95 7.634 2.703 -0.179 706 HD23 LEU 95 3HD2 LEU 95 6.087 2.708 0.671 707 H VAL 96 H VAL 96 8.779 7.588 1.826 708 HA VAL 96 HA VAL 96 6.695 9.352 1.226 709 HB VAL 96 HB VAL 96 9.512 9.942 2.139 710 HG11 VAL 96 1HG1 VAL 96 7.563 11.741 1.151 711 HG12 VAL 96 2HG1 VAL 96 7.660 11.966 2.899 712 HG13 VAL 96 3HG1 VAL 96 9.112 12.112 1.907 713 HG21 VAL 96 1HG2 VAL 96 7.127 10.215 3.884 714 HG22 VAL 96 2HG2 VAL 96 7.684 8.585 3.507 715 HG23 VAL 96 3HG2 VAL 96 8.775 9.731 4.285 716 H GLU 97 H GLU 97 9.870 8.938 -0.277 717 HA GLU 97 HA GLU 97 9.348 11.071 -2.178 718 HB2 GLU 97 1HB GLU 97 11.691 9.166 -2.072 719 HB3 GLU 97 2HB GLU 97 11.591 10.663 -2.988 720 HG2 GLU 97 1HG GLU 97 11.207 11.744 -0.652 721 HG3 GLU 97 2HG GLU 97 11.943 10.257 -0.057 722 H VAL 98 H VAL 98 8.345 7.981 -1.920 723 HA VAL 98 HA VAL 98 7.675 6.335 -3.361 724 HB VAL 98 HB VAL 98 7.171 8.615 -5.268 725 HG11 VAL 98 1HG1 VAL 98 5.580 7.267 -6.268 726 HG12 VAL 98 2HG1 VAL 98 6.849 6.108 -5.869 727 HG13 VAL 98 3HG1 VAL 98 5.414 6.233 -4.850 728 HG21 VAL 98 1HG2 VAL 98 5.464 9.398 -4.027 729 HG22 VAL 98 2HG2 VAL 98 5.004 7.792 -3.459 730 HG23 VAL 98 3HG2 VAL 98 6.338 8.651 -2.689 731 H LYS 99 H LYS 99 10.336 6.342 -3.413 732 HA LYS 99 HA LYS 99 11.522 6.812 -5.942 733 HB2 LYS 99 1HB LYS 99 12.402 4.963 -3.716 734 HB3 LYS 99 2HB LYS 99 13.397 5.463 -5.077 735 HG2 LYS 99 1HG LYS 99 13.216 7.798 -4.321 736 HG3 LYS 99 2HG LYS 99 12.285 7.251 -2.925 737 HD2 LYS 99 1HD LYS 99 14.114 6.208 -1.954 738 HD3 LYS 99 2HD LYS 99 14.978 6.073 -3.488 739 HE2 LYS 99 1HE LYS 99 14.375 8.757 -2.304 740 HE3 LYS 99 2HE LYS 99 15.757 7.820 -1.739 741 HZ1 LYS 99 1HZ LYS 99 15.671 7.897 -4.576 742 HZ2 LYS 99 2HZ LYS 99 16.906 8.389 -3.531 743 HZ3 LYS 99 3HZ LYS 99 15.668 9.465 -3.942 744 HA PRO 100 HA PRO 100 9.694 3.293 -7.999 745 HB2 PRO 100 1HB PRO 100 10.856 3.769 -10.406 746 HB3 PRO 100 2HB PRO 100 9.452 4.671 -9.821 747 HG2 PRO 100 1HG PRO 100 12.345 5.440 -9.789 748 HG3 PRO 100 2HG PRO 100 10.931 6.425 -10.204 749 HD2 PRO 100 1HD PRO 100 12.149 6.568 -7.790 750 HD3 PRO 100 2HD PRO 100 10.404 6.824 -7.995 751 H LYS 101 H LYS 101 12.780 3.724 -6.932 752 HA LYS 101 HA LYS 101 13.814 1.322 -8.275 753 HB2 LYS 101 1HB LYS 101 16.017 2.089 -7.227 754 HB3 LYS 101 2HB LYS 101 15.372 3.066 -8.540 755 HG2 LYS 101 1HG LYS 101 14.647 3.818 -5.762 756 HG3 LYS 101 2HG LYS 101 16.291 4.145 -6.316 757 HD2 LYS 101 1HD LYS 101 13.886 4.968 -7.918 758 HD3 LYS 101 2HD LYS 101 14.541 5.987 -6.634 759 HE2 LYS 101 1HE LYS 101 16.803 5.552 -7.917 760 HE3 LYS 101 2HE LYS 101 15.715 5.250 -9.270 761 HZ1 LYS 101 1HZ LYS 101 14.696 7.457 -8.766 762 HZ2 LYS 101 2HZ LYS 101 16.291 7.529 -9.323 763 HZ3 LYS 101 3HZ LYS 101 15.960 7.738 -7.677 764 H MET 102 H MET 102 12.613 2.506 -5.304 765 HA MET 102 HA MET 102 13.589 0.095 -3.919 766 HB2 MET 102 1HB MET 102 13.135 2.893 -2.961 767 HB3 MET 102 2HB MET 102 12.957 1.558 -1.830 768 HG2 MET 102 1HG MET 102 15.295 0.848 -2.683 769 HG3 MET 102 2HG MET 102 15.398 2.511 -3.258 770 HE1 MET 102 1HE MET 102 16.228 0.263 -0.210 771 HE2 MET 102 2HE MET 102 15.308 1.045 1.075 772 HE3 MET 102 3HE MET 102 14.466 0.297 -0.282 773 H VAL 103 H VAL 103 10.847 2.298 -4.322 774 HA VAL 103 HA VAL 103 8.981 1.005 -2.722 775 HB VAL 103 HB VAL 103 8.524 2.482 -5.318 776 HG11 VAL 103 1HG1 VAL 103 6.667 1.206 -3.402 777 HG12 VAL 103 2HG1 VAL 103 6.228 2.813 -3.984 778 HG13 VAL 103 3HG1 VAL 103 6.490 1.499 -5.131 779 HG21 VAL 103 1HG2 VAL 103 9.637 3.735 -3.462 780 HG22 VAL 103 2HG2 VAL 103 8.085 4.404 -3.965 781 HG23 VAL 103 3HG2 VAL 103 8.197 3.454 -2.484 782 H MET 104 H MET 104 10.475 -0.111 -5.551 783 HA MET 104 HA MET 104 8.345 -1.795 -6.480 784 HB2 MET 104 1HB MET 104 10.040 -1.006 -8.037 785 HB3 MET 104 2HB MET 104 11.303 -1.797 -7.103 786 HG2 MET 104 1HG MET 104 9.983 -3.960 -7.575 787 HG3 MET 104 2HG MET 104 9.202 -3.017 -8.842 788 HE1 MET 104 1HE MET 104 12.705 -3.955 -7.355 789 HE2 MET 104 2HE MET 104 12.008 -5.396 -8.096 790 HE3 MET 104 3HE MET 104 13.456 -4.661 -8.786 791 H THR 105 H THR 105 11.489 -2.474 -4.934 792 HA THR 105 HA THR 105 11.054 -5.209 -4.526 793 HB THR 105 HB THR 105 13.282 -4.439 -4.313 794 HG1 THR 105 1HG THR 105 12.371 -4.995 -1.668 795 HG21 THR 105 1HG2 THR 105 12.142 -2.493 -2.332 796 HG22 THR 105 2HG2 THR 105 13.125 -2.172 -3.761 797 HG23 THR 105 3HG2 THR 105 13.859 -2.896 -2.330 798 H VAL 106 H VAL 106 10.121 -2.408 -2.640 799 HA VAL 106 HA VAL 106 9.539 -3.511 -0.187 800 HB VAL 106 HB VAL 106 8.014 -1.388 -1.697 801 HG11 VAL 106 1HG1 VAL 106 7.624 -0.969 1.013 802 HG12 VAL 106 2HG1 VAL 106 6.434 -1.585 -0.137 803 HG13 VAL 106 3HG1 VAL 106 7.410 -2.707 0.813 804 HG21 VAL 106 1HG2 VAL 106 10.418 -1.431 0.018 805 HG22 VAL 106 2HG2 VAL 106 9.991 -0.353 -1.311 806 HG23 VAL 106 3HG2 VAL 106 9.289 -0.103 0.287 807 H PHE 107 H PHE 107 7.447 -3.411 -3.059 808 HA PHE 107 HA PHE 107 5.352 -4.900 -1.780 809 HB2 PHE 107 1HB PHE 107 5.833 -3.870 -4.554 810 HB3 PHE 107 2HB PHE 107 4.555 -5.046 -4.268 811 HD1 PHE 107 1HD PHE 107 3.064 -4.411 -2.108 812 HD2 PHE 107 2HD PHE 107 5.202 -1.674 -4.569 813 HE1 PHE 107 1HE PHE 107 1.554 -2.601 -1.401 814 HE2 PHE 107 2HE PHE 107 3.696 0.140 -3.866 815 HZ PHE 107 HZ PHE 107 1.870 -0.322 -2.279 816 H ALA 108 H ALA 108 7.653 -5.609 -4.405 817 HA ALA 108 HA ALA 108 7.063 -8.144 -5.083 818 HB1 ALA 108 1HB ALA 108 8.902 -7.377 -6.200 819 HB2 ALA 108 2HB ALA 108 9.665 -6.747 -4.740 820 HB3 ALA 108 3HB ALA 108 9.679 -8.480 -5.063 821 H CYS 109 H CYS 109 8.663 -7.162 -2.094 822 HA CYS 109 HA CYS 109 9.226 -9.784 -1.172 823 HB2 CYS 109 1HB CYS 109 10.417 -7.853 -0.283 824 HB3 CYS 109 2HB CYS 109 8.917 -7.190 0.353 825 HG CYS 109 HG CYS 109 9.063 -8.335 2.641 826 H LEU 110 H LEU 110 6.818 -7.454 0.059 827 HA LEU 110 HA LEU 110 5.396 -8.969 1.764 828 HB2 LEU 110 1HB LEU 110 4.225 -7.137 -0.324 829 HB3 LEU 110 2HB LEU 110 3.377 -7.708 1.111 830 HG LEU 110 HG LEU 110 5.928 -6.163 1.382 831 HD11 LEU 110 1HD1 LEU 110 3.353 -5.170 0.390 832 HD12 LEU 110 2HD1 LEU 110 4.965 -4.464 0.280 833 HD13 LEU 110 3HD1 LEU 110 4.018 -4.274 1.756 834 HD21 LEU 110 1HD2 LEU 110 3.713 -5.721 3.227 835 HD22 LEU 110 2HD2 LEU 110 5.404 -6.106 3.553 836 HD23 LEU 110 3HD2 LEU 110 4.261 -7.397 3.178 837 H MET 111 H MET 111 5.086 -9.071 -1.763 838 HA MET 111 HA MET 111 2.936 -10.841 -1.936 839 HB2 MET 111 1HB MET 111 3.742 -9.630 -3.875 840 HB3 MET 111 2HB MET 111 5.285 -10.470 -3.800 841 HG2 MET 111 1HG MET 111 3.871 -12.609 -4.089 842 HG3 MET 111 2HG MET 111 2.614 -11.506 -4.643 843 HE1 MET 111 1HE MET 111 2.556 -10.169 -6.416 844 HE2 MET 111 2HE MET 111 4.044 -9.404 -6.971 845 HE3 MET 111 3HE MET 111 3.244 -10.611 -7.978 846 H GLY 112 H GLY 112 6.421 -11.596 -2.163 847 HA2 GLY 112 1HA GLY 112 6.492 -14.254 -2.432 848 HA3 GLY 112 2HA GLY 112 7.542 -13.436 -1.285 849 H ARG 113 H ARG 113 5.836 -12.679 0.693 850 HA ARG 113 HA ARG 113 5.370 -15.174 2.022 851 HB2 ARG 113 1HB ARG 113 5.145 -12.287 2.763 852 HB3 ARG 113 2HB ARG 113 4.348 -13.487 3.771 853 HG2 ARG 113 1HG ARG 113 6.377 -13.288 4.816 854 HG3 ARG 113 2HG ARG 113 6.679 -14.652 3.738 855 HD2 ARG 113 1HD ARG 113 7.468 -12.812 2.076 856 HD3 ARG 113 2HD ARG 113 7.618 -11.822 3.527 857 HE ARG 113 HE ARG 113 9.492 -13.000 4.080 858 HH11 ARG 113 2HH1 ARG 113 7.668 -14.827 1.744 859 HH12 ARG 113 1HH1 ARG 113 8.883 -16.047 1.555 860 HH21 ARG 113 2HH2 ARG 113 11.100 -14.601 3.840 861 HH22 ARG 113 1HH2 ARG 113 10.834 -15.918 2.748 862 H GLY 114 H GLY 114 3.377 -12.711 0.503 863 HA2 GLY 114 1HA GLY 114 0.874 -13.514 1.493 864 HA3 GLY 114 2HA GLY 114 1.143 -12.661 -0.020 865 H MET 115 H MET 115 1.671 -13.947 -1.921 866 HA MET 115 HA MET 115 -0.062 -16.162 -2.198 867 HB2 MET 115 1HB MET 115 1.357 -16.418 -4.406 868 HB3 MET 115 2HB MET 115 0.228 -15.085 -4.206 869 HG2 MET 115 1HG MET 115 1.913 -13.535 -3.874 870 HG3 MET 115 2HG MET 115 3.091 -14.764 -3.421 871 HE1 MET 115 1HE MET 115 2.013 -12.728 -7.015 872 HE2 MET 115 2HE MET 115 1.201 -14.235 -7.438 873 HE3 MET 115 3HE MET 115 0.805 -13.414 -5.928 874 H LYS 116 H LYS 116 0.289 -18.056 -1.241 875 HA LYS 116 HA LYS 116 2.981 -19.019 -0.767 876 HB2 LYS 116 1HB LYS 116 0.814 -19.231 0.743 877 HB3 LYS 116 2HB LYS 116 0.566 -20.685 -0.215 878 HG2 LYS 116 1HG LYS 116 3.131 -20.119 1.242 879 HG3 LYS 116 2HG LYS 116 1.776 -20.978 1.977 880 HD2 LYS 116 1HD LYS 116 2.955 -22.759 1.170 881 HD3 LYS 116 2HD LYS 116 1.954 -22.412 -0.242 882 HE2 LYS 116 1HE LYS 116 4.034 -22.573 -1.205 883 HE3 LYS 116 2HE LYS 116 3.942 -20.841 -0.892 884 HZ1 LYS 116 1HZ LYS 116 5.946 -22.480 -0.095 885 HZ2 LYS 116 2HZ LYS 116 5.016 -22.336 1.311 886 HZ3 LYS 116 3HZ LYS 116 5.618 -20.950 0.550 887 H ARG 117 H ARG 117 3.712 -19.386 -2.896 888 HA ARG 117 HA ARG 117 2.757 -21.914 -4.017 889 HB2 ARG 117 1HB ARG 117 2.791 -19.268 -5.391 890 HB3 ARG 117 2HB ARG 117 3.225 -20.692 -6.327 891 HG2 ARG 117 1HG ARG 117 1.081 -21.722 -5.743 892 HG3 ARG 117 2HG ARG 117 0.647 -20.276 -4.828 893 HD2 ARG 117 1HD ARG 117 0.323 -19.015 -6.709 894 HD3 ARG 117 2HD ARG 117 1.479 -19.946 -7.662 895 HE ARG 117 HE ARG 117 -1.314 -20.366 -7.522 896 HH11 ARG 117 2HH1 ARG 117 1.707 -22.088 -7.689 897 HH12 ARG 117 1HH1 ARG 117 1.024 -23.474 -8.472 898 HH21 ARG 117 2HH2 ARG 117 -2.225 -22.186 -8.553 899 HH22 ARG 117 1HH2 ARG 117 -1.213 -23.528 -8.964 900 H VAL 118 H VAL 118 4.370 -23.235 -4.598 901 HA VAL 118 HA VAL 118 7.064 -22.543 -4.044 902 HB VAL 118 HB VAL 118 7.624 -24.759 -4.998 903 HG11 VAL 118 1HG1 VAL 118 5.277 -25.403 -3.348 904 HG12 VAL 118 2HG1 VAL 118 6.980 -25.798 -3.108 905 HG13 VAL 118 3HG1 VAL 118 6.372 -24.202 -2.663 906 HG21 VAL 118 1HG2 VAL 118 4.738 -24.670 -5.807 907 HG22 VAL 118 2HG2 VAL 118 6.151 -25.080 -6.779 908 HG23 VAL 118 3HG2 VAL 118 5.568 -26.205 -5.553 909 H SER 119 H SER 119 8.688 -21.885 -5.336 910 HA SER 119 HA SER 119 8.345 -21.939 -8.235 911 HB2 SER 119 1HB SER 119 7.478 -19.734 -7.382 912 HB3 SER 119 2HB SER 119 9.104 -19.392 -6.792 913 HG SER 119 HG SER 119 9.751 -19.820 -9.062 914 H GLY 120 H GLY 120 10.159 -22.572 -9.204 915 HA2 GLY 120 1HA GLY 120 12.396 -22.936 -9.612 916 HA3 GLY 120 2HA GLY 120 12.754 -21.719 -8.396 917 HA PRO 121 HA PRO 121 12.377 -26.064 -6.232 918 HB2 PRO 121 1HB PRO 121 12.826 -28.170 -7.885 919 HB3 PRO 121 2HB PRO 121 11.210 -27.529 -7.563 920 HG2 PRO 121 1HG PRO 121 13.010 -27.040 -9.905 921 HG3 PRO 121 2HG PRO 121 11.264 -27.347 -9.881 922 HD2 PRO 121 1HD PRO 121 12.302 -24.861 -10.149 923 HD3 PRO 121 2HD PRO 121 10.761 -25.168 -9.324 924 H SER 122 H SER 122 14.280 -25.670 -5.217 925 HA SER 122 HA SER 122 16.789 -26.044 -6.669 926 HB2 SER 122 1HB SER 122 17.861 -24.908 -4.865 927 HB3 SER 122 2HB SER 122 16.369 -24.025 -5.186 928 HG SER 122 HG SER 122 15.480 -25.469 -3.456 929 H SER 123 H SER 123 18.030 -27.791 -6.449 930 HA SER 123 HA SER 123 18.146 -29.350 -4.064 931 HB2 SER 123 1HB SER 123 15.957 -30.054 -5.262 932 HB3 SER 123 2HB SER 123 17.024 -30.852 -6.418 933 HG SER 123 HG SER 123 17.451 -31.306 -3.694 934 H GLY 124 H GLY 124 19.802 -30.925 -4.115 935 HA2 GLY 124 1HA GLY 124 21.223 -31.639 -6.456 936 HA3 GLY 124 2HA GLY 124 22.030 -30.293 -5.665 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -3.354 -11.808 -21.390 2 HA2 GLY 1 1HA GLY 1 -4.986 -9.628 -20.374 3 HA3 GLY 1 2HA GLY 1 -3.373 -10.067 -19.831 4 H SER 2 H SER 2 -4.247 -7.421 -20.328 5 HA SER 2 HA SER 2 -2.956 -6.684 -22.848 6 HB2 SER 2 1HB SER 2 -3.886 -4.447 -22.448 7 HB3 SER 2 2HB SER 2 -5.148 -5.675 -22.350 8 HG SER 2 HG SER 2 -4.725 -3.895 -20.583 9 H SER 3 H SER 3 -1.102 -7.669 -21.207 10 HA SER 3 HA SER 3 0.707 -5.517 -20.878 11 HB2 SER 3 1HB SER 3 0.933 -5.389 -18.517 12 HB3 SER 3 2HB SER 3 -0.799 -5.280 -18.830 13 HG SER 3 HG SER 3 -0.265 -6.756 -17.134 14 H GLY 4 H GLY 4 2.722 -6.344 -19.567 15 HA2 GLY 4 1HA GLY 4 3.855 -8.449 -18.888 16 HA3 GLY 4 2HA GLY 4 3.139 -9.173 -20.320 17 H SER 5 H SER 5 5.895 -7.815 -19.069 18 HA SER 5 HA SER 5 7.077 -7.627 -21.731 19 HB2 SER 5 1HB SER 5 7.127 -5.409 -19.682 20 HB3 SER 5 2HB SER 5 8.287 -5.511 -21.006 21 HG SER 5 HG SER 5 6.110 -5.763 -22.251 22 H SER 6 H SER 6 9.558 -7.175 -21.422 23 HA SER 6 HA SER 6 10.735 -9.364 -20.286 24 HB2 SER 6 1HB SER 6 11.911 -6.603 -20.675 25 HB3 SER 6 2HB SER 6 12.864 -8.035 -20.286 26 HG SER 6 HG SER 6 11.597 -8.877 -22.269 27 H GLY 7 H GLY 7 10.205 -6.203 -18.768 28 HA2 GLY 7 1HA GLY 7 11.423 -7.020 -16.286 29 HA3 GLY 7 2HA GLY 7 10.582 -5.507 -16.589 30 H ASN 8 H ASN 8 10.359 -7.174 -14.257 31 HA ASN 8 HA ASN 8 7.578 -8.110 -14.496 32 HB2 ASN 8 1HB ASN 8 7.976 -9.593 -12.670 33 HB3 ASN 8 2HB ASN 8 9.343 -9.770 -13.767 34 HD21 ASN 8 1HD2 ASN 8 9.669 -10.646 -11.278 35 HD22 ASN 8 2HD2 ASN 8 10.693 -9.590 -10.371 36 H ASP 9 H ASP 9 8.197 -5.354 -14.224 37 HA ASP 9 HA ASP 9 7.850 -4.598 -11.467 38 HB2 ASP 9 1HB ASP 9 7.918 -3.070 -14.061 39 HB3 ASP 9 2HB ASP 9 7.503 -2.286 -12.539 40 H ASP 10 H ASP 10 5.859 -4.114 -14.390 41 HA ASP 10 HA ASP 10 3.569 -3.185 -13.156 42 HB2 ASP 10 1HB ASP 10 2.393 -4.336 -15.179 43 HB3 ASP 10 2HB ASP 10 3.530 -3.024 -15.475 44 H ILE 11 H ILE 11 4.789 -6.440 -13.378 45 HA ILE 11 HA ILE 11 2.501 -7.919 -12.841 46 HB ILE 11 HB ILE 11 5.347 -8.426 -11.974 47 HG12 ILE 11 1HG1 ILE 11 4.720 -8.319 -14.454 48 HG13 ILE 11 2HG1 ILE 11 5.539 -9.777 -13.903 49 HG21 ILE 11 1HG2 ILE 11 4.345 -9.873 -10.550 50 HG22 ILE 11 2HG2 ILE 11 2.857 -9.944 -11.494 51 HG23 ILE 11 3HG2 ILE 11 4.268 -10.874 -12.000 52 HD11 ILE 11 1HD1 ILE 11 3.641 -10.171 -15.459 53 HD12 ILE 11 2HD1 ILE 11 3.500 -11.007 -13.912 54 HD13 ILE 11 3HD1 ILE 11 2.559 -9.546 -14.214 55 H ILE 12 H ILE 12 4.873 -6.652 -10.497 56 HA ILE 12 HA ILE 12 3.683 -7.485 -8.159 57 HB ILE 12 HB ILE 12 5.191 -4.933 -8.715 58 HG12 ILE 12 1HG1 ILE 12 6.135 -7.342 -7.178 59 HG13 ILE 12 2HG1 ILE 12 6.261 -7.273 -8.933 60 HG21 ILE 12 1HG2 ILE 12 4.370 -4.220 -6.755 61 HG22 ILE 12 2HG2 ILE 12 3.797 -5.824 -6.302 62 HG23 ILE 12 3HG2 ILE 12 5.485 -5.385 -6.042 63 HD11 ILE 12 1HD1 ILE 12 7.581 -5.477 -6.921 64 HD12 ILE 12 2HD1 ILE 12 8.345 -6.595 -8.052 65 HD13 ILE 12 3HD1 ILE 12 7.548 -5.141 -8.652 66 H VAL 13 H VAL 13 3.047 -4.485 -9.957 67 HA VAL 13 HA VAL 13 1.198 -3.339 -8.227 68 HB VAL 13 HB VAL 13 1.180 -3.189 -11.244 69 HG11 VAL 13 1HG1 VAL 13 0.198 -1.066 -9.375 70 HG12 VAL 13 2HG1 VAL 13 -0.173 -1.307 -11.083 71 HG13 VAL 13 3HG1 VAL 13 -0.856 -2.390 -9.869 72 HG21 VAL 13 1HG2 VAL 13 2.339 -1.017 -9.616 73 HG22 VAL 13 2HG2 VAL 13 3.269 -2.513 -9.696 74 HG23 VAL 13 3HG2 VAL 13 2.844 -1.658 -11.179 75 H ASN 14 H ASN 14 0.532 -5.374 -11.081 76 HA ASN 14 HA ASN 14 -2.189 -5.522 -10.971 77 HB2 ASN 14 1HB ASN 14 -0.073 -7.439 -11.830 78 HB3 ASN 14 2HB ASN 14 -1.724 -8.040 -11.706 79 HD21 ASN 14 1HD2 ASN 14 0.206 -5.436 -13.111 80 HD22 ASN 14 2HD2 ASN 14 -0.759 -5.250 -14.533 81 H TRP 15 H TRP 15 0.094 -7.540 -9.144 82 HA TRP 15 HA TRP 15 -1.826 -9.111 -7.828 83 HB2 TRP 15 1HB TRP 15 0.591 -9.657 -7.938 84 HB3 TRP 15 2HB TRP 15 0.922 -8.323 -6.836 85 HD1 TRP 15 HD TRP 15 -0.769 -11.783 -6.896 86 HE1 TRP 15 1HE TRP 15 -0.859 -12.679 -4.485 87 HE3 TRP 15 3HE TRP 15 0.971 -7.656 -4.431 88 HZ2 TRP 15 2HZ TRP 15 -0.271 -11.758 -1.882 89 HZ3 TRP 15 3HZ TRP 15 1.177 -7.746 -1.980 90 HH2 TRP 15 HH TRP 15 0.568 -9.755 -0.734 91 H VAL 16 H VAL 16 -0.179 -6.128 -6.817 92 HA VAL 16 HA VAL 16 -1.087 -5.804 -4.273 93 HB VAL 16 HB VAL 16 -0.875 -3.674 -6.403 94 HG11 VAL 16 1HG1 VAL 16 -0.421 -2.525 -3.908 95 HG12 VAL 16 2HG1 VAL 16 -1.828 -2.287 -4.946 96 HG13 VAL 16 3HG1 VAL 16 -1.856 -3.527 -3.691 97 HG21 VAL 16 1HG2 VAL 16 1.225 -3.287 -4.775 98 HG22 VAL 16 2HG2 VAL 16 1.039 -5.033 -4.611 99 HG23 VAL 16 3HG2 VAL 16 1.285 -4.318 -6.204 100 H ASN 17 H ASN 17 -2.827 -4.708 -7.188 101 HA ASN 17 HA ASN 17 -5.123 -3.790 -5.899 102 HB2 ASN 17 1HB ASN 17 -4.536 -4.745 -8.676 103 HB3 ASN 17 2HB ASN 17 -6.203 -4.423 -8.210 104 HD21 ASN 17 1HD2 ASN 17 -2.989 -2.998 -8.387 105 HD22 ASN 17 2HD2 ASN 17 -3.525 -1.367 -8.586 106 H ARG 18 H ARG 18 -4.418 -6.989 -7.272 107 HA ARG 18 HA ARG 18 -6.864 -8.211 -6.838 108 HB2 ARG 18 1HB ARG 18 -5.006 -9.236 -8.092 109 HB3 ARG 18 2HB ARG 18 -4.124 -9.464 -6.587 110 HG2 ARG 18 1HG ARG 18 -5.860 -10.973 -5.785 111 HG3 ARG 18 2HG ARG 18 -6.768 -10.729 -7.278 112 HD2 ARG 18 1HD ARG 18 -5.015 -11.740 -8.573 113 HD3 ARG 18 2HD ARG 18 -3.967 -11.833 -7.159 114 HE ARG 18 HE ARG 18 -6.411 -13.238 -6.756 115 HH11 ARG 18 2HH1 ARG 18 -3.288 -13.448 -8.279 116 HH12 ARG 18 1HH1 ARG 18 -3.240 -15.179 -8.240 117 HH21 ARG 18 2HH2 ARG 18 -6.360 -15.517 -6.698 118 HH22 ARG 18 1HH2 ARG 18 -4.988 -16.355 -7.340 119 H THR 19 H THR 19 -4.039 -8.226 -4.661 120 HA THR 19 HA THR 19 -5.174 -9.613 -2.547 121 HB THR 19 HB THR 19 -3.136 -7.382 -2.411 122 HG1 THR 19 1HG THR 19 -2.343 -9.067 -3.639 123 HG21 THR 19 1HG2 THR 19 -4.360 -9.078 -0.353 124 HG22 THR 19 2HG2 THR 19 -3.482 -7.557 -0.194 125 HG23 THR 19 3HG2 THR 19 -2.597 -9.075 -0.338 126 H LEU 20 H LEU 20 -4.792 -6.065 -2.692 127 HA LEU 20 HA LEU 20 -6.133 -5.226 -0.541 128 HB2 LEU 20 1HB LEU 20 -6.403 -4.156 -3.342 129 HB3 LEU 20 2HB LEU 20 -7.011 -3.317 -1.917 130 HG LEU 20 HG LEU 20 -4.116 -4.064 -2.138 131 HD11 LEU 20 1HD1 LEU 20 -3.798 -2.664 -3.825 132 HD12 LEU 20 2HD1 LEU 20 -4.418 -1.354 -2.820 133 HD13 LEU 20 3HD1 LEU 20 -5.514 -2.260 -3.862 134 HD21 LEU 20 1HD2 LEU 20 -5.448 -3.134 -0.049 135 HD22 LEU 20 2HD2 LEU 20 -5.165 -1.594 -0.862 136 HD23 LEU 20 3HD2 LEU 20 -3.800 -2.615 -0.406 137 H SER 21 H SER 21 -7.657 -6.495 -3.460 138 HA SER 21 HA SER 21 -10.329 -5.982 -2.648 139 HB2 SER 21 1HB SER 21 -9.364 -6.551 -5.012 140 HB3 SER 21 2HB SER 21 -9.614 -8.223 -4.512 141 HG SER 21 HG SER 21 -11.679 -6.329 -4.246 142 H GLU 22 H GLU 22 -8.320 -8.918 -2.585 143 HA GLU 22 HA GLU 22 -10.026 -10.788 -1.633 144 HB2 GLU 22 1HB GLU 22 -7.145 -10.245 -1.074 145 HB3 GLU 22 2HB GLU 22 -7.958 -11.493 -0.139 146 HG2 GLU 22 1HG GLU 22 -8.705 -12.407 -2.430 147 HG3 GLU 22 2HG GLU 22 -7.417 -11.393 -3.077 148 H ALA 23 H ALA 23 -8.978 -7.952 0.028 149 HA ALA 23 HA ALA 23 -10.203 -8.901 2.529 150 HB1 ALA 23 1HB ALA 23 -8.224 -6.697 1.995 151 HB2 ALA 23 2HB ALA 23 -9.038 -6.914 3.545 152 HB3 ALA 23 3HB ALA 23 -7.979 -8.178 2.921 153 H GLY 24 H GLY 24 -10.195 -6.236 0.202 154 HA2 GLY 24 1HA GLY 24 -12.277 -5.202 -0.432 155 HA3 GLY 24 2HA GLY 24 -12.864 -5.487 1.200 156 H LYS 25 H LYS 25 -9.858 -4.018 -0.012 157 HA LYS 25 HA LYS 25 -10.232 -1.802 1.836 158 HB2 LYS 25 1HB LYS 25 -7.939 -2.416 -0.039 159 HB3 LYS 25 2HB LYS 25 -7.951 -1.159 1.192 160 HG2 LYS 25 1HG LYS 25 -8.272 -4.086 1.804 161 HG3 LYS 25 2HG LYS 25 -6.720 -3.245 1.808 162 HD2 LYS 25 1HD LYS 25 -7.356 -1.868 3.613 163 HD3 LYS 25 2HD LYS 25 -9.059 -2.301 3.446 164 HE2 LYS 25 1HE LYS 25 -7.013 -4.398 4.062 165 HE3 LYS 25 2HE LYS 25 -7.643 -3.366 5.346 166 HZ1 LYS 25 1HZ LYS 25 -8.821 -5.553 4.950 167 HZ2 LYS 25 2HZ LYS 25 -9.429 -4.869 3.528 168 HZ3 LYS 25 3HZ LYS 25 -9.800 -4.175 5.025 169 H SER 26 H SER 26 -9.714 0.431 1.028 170 HA SER 26 HA SER 26 -11.040 0.857 -1.567 171 HB2 SER 26 1HB SER 26 -12.249 1.765 0.400 172 HB3 SER 26 2HB SER 26 -10.847 2.768 0.775 173 HG SER 26 HG SER 26 -11.135 3.783 -1.257 174 H THR 27 H THR 27 -8.179 0.340 -1.104 175 HA THR 27 HA THR 27 -7.122 2.835 -2.259 176 HB THR 27 HB THR 27 -4.902 2.196 -1.217 177 HG1 THR 27 1HG THR 27 -6.615 0.309 -0.009 178 HG21 THR 27 1HG2 THR 27 -5.359 3.326 0.806 179 HG22 THR 27 2HG2 THR 27 -7.025 2.749 0.843 180 HG23 THR 27 3HG2 THR 27 -6.534 3.949 -0.352 181 H SER 28 H SER 28 -5.367 2.581 -3.751 182 HA SER 28 HA SER 28 -4.467 0.036 -4.629 183 HB2 SER 28 1HB SER 28 -5.538 0.126 -6.902 184 HB3 SER 28 2HB SER 28 -6.663 -0.210 -5.587 185 HG SER 28 HG SER 28 -6.231 2.304 -6.835 186 H ILE 29 H ILE 29 -2.831 0.180 -6.188 187 HA ILE 29 HA ILE 29 -2.029 2.926 -6.899 188 HB ILE 29 HB ILE 29 0.328 2.174 -6.754 189 HG12 ILE 29 1HG1 ILE 29 -0.559 -0.200 -5.164 190 HG13 ILE 29 2HG1 ILE 29 -0.504 -0.325 -6.919 191 HG21 ILE 29 1HG2 ILE 29 -0.218 1.603 -4.051 192 HG22 ILE 29 2HG2 ILE 29 0.210 3.156 -4.769 193 HG23 ILE 29 3HG2 ILE 29 -1.485 2.696 -4.608 194 HD11 ILE 29 1HD1 ILE 29 1.883 0.439 -6.788 195 HD12 ILE 29 2HD1 ILE 29 1.765 0.245 -5.039 196 HD13 ILE 29 3HD1 ILE 29 1.549 -1.148 -6.098 197 H GLN 30 H GLN 30 -0.350 2.893 -8.726 198 HA GLN 30 HA GLN 30 -1.186 0.918 -10.747 199 HB2 GLN 30 1HB GLN 30 -0.685 3.870 -10.965 200 HB3 GLN 30 2HB GLN 30 -0.521 2.831 -12.375 201 HG2 GLN 30 1HG GLN 30 -3.013 2.696 -10.750 202 HG3 GLN 30 2HG GLN 30 -2.773 4.043 -11.862 203 HE21 GLN 30 1HE2 GLN 30 -1.972 3.290 -14.090 204 HE22 GLN 30 2HE2 GLN 30 -2.825 1.953 -14.774 205 H SER 31 H SER 31 1.459 2.862 -9.474 206 HA SER 31 HA SER 31 3.370 0.871 -10.292 207 HB2 SER 31 1HB SER 31 4.638 2.119 -11.815 208 HB3 SER 31 2HB SER 31 2.980 2.484 -12.290 209 HG SER 31 HG SER 31 4.025 4.419 -12.159 210 H PHE 32 H PHE 32 5.704 1.882 -9.815 211 HA PHE 32 HA PHE 32 5.583 2.676 -7.035 212 HB2 PHE 32 1HB PHE 32 8.079 2.283 -8.681 213 HB3 PHE 32 2HB PHE 32 7.900 2.156 -6.935 214 HD1 PHE 32 1HD PHE 32 5.581 0.451 -6.618 215 HD2 PHE 32 2HD PHE 32 8.755 0.218 -9.444 216 HE1 PHE 32 1HE PHE 32 5.208 -1.972 -6.832 217 HE2 PHE 32 2HE PHE 32 8.386 -2.205 -9.664 218 HZ PHE 32 HZ PHE 32 6.610 -3.303 -8.358 219 H LYS 33 H LYS 33 5.138 4.433 -9.616 220 HA LYS 33 HA LYS 33 6.859 6.661 -8.748 221 HB2 LYS 33 1HB LYS 33 5.674 5.989 -11.435 222 HB3 LYS 33 2HB LYS 33 6.285 7.596 -11.064 223 HG2 LYS 33 1HG LYS 33 8.487 6.597 -10.550 224 HG3 LYS 33 2HG LYS 33 7.854 5.026 -11.049 225 HD2 LYS 33 1HD LYS 33 8.914 5.776 -12.970 226 HD3 LYS 33 2HD LYS 33 7.237 6.251 -13.249 227 HE2 LYS 33 1HE LYS 33 8.269 8.212 -13.780 228 HE3 LYS 33 2HE LYS 33 8.053 8.466 -12.049 229 HZ1 LYS 33 1HZ LYS 33 10.519 7.584 -13.440 230 HZ2 LYS 33 2HZ LYS 33 10.338 7.561 -11.758 231 HZ3 LYS 33 3HZ LYS 33 10.277 9.030 -12.595 232 H ASP 34 H ASP 34 3.661 5.521 -8.967 233 HA ASP 34 HA ASP 34 2.113 7.762 -9.334 234 HB2 ASP 34 1HB ASP 34 1.399 5.325 -8.890 235 HB3 ASP 34 2HB ASP 34 1.469 5.757 -7.184 236 H LYS 35 H LYS 35 1.234 9.348 -7.987 237 HA LYS 35 HA LYS 35 2.982 10.151 -5.816 238 HB2 LYS 35 1HB LYS 35 0.570 11.531 -7.007 239 HB3 LYS 35 2HB LYS 35 1.671 12.236 -5.831 240 HG2 LYS 35 1HG LYS 35 2.651 11.236 -8.480 241 HG3 LYS 35 2HG LYS 35 1.972 12.855 -8.293 242 HD2 LYS 35 1HD LYS 35 3.688 13.543 -6.875 243 HD3 LYS 35 2HD LYS 35 4.152 11.886 -6.477 244 HE2 LYS 35 1HE LYS 35 5.803 12.892 -7.941 245 HE3 LYS 35 2HE LYS 35 4.968 11.581 -8.774 246 HZ1 LYS 35 1HZ LYS 35 5.286 14.144 -9.680 247 HZ2 LYS 35 2HZ LYS 35 3.672 14.089 -9.176 248 HZ3 LYS 35 3HZ LYS 35 4.239 12.978 -10.319 249 H THR 36 H THR 36 0.828 7.911 -5.777 250 HA THR 36 HA THR 36 -0.801 8.838 -3.535 251 HB THR 36 HB THR 36 -1.845 6.523 -3.748 252 HG1 THR 36 1HG THR 36 -0.480 5.335 -4.944 253 HG21 THR 36 1HG2 THR 36 -2.026 8.776 -5.650 254 HG22 THR 36 2HG2 THR 36 -3.276 8.027 -4.657 255 HG23 THR 36 3HG2 THR 36 -2.775 7.266 -6.167 256 H ILE 37 H ILE 37 1.938 6.837 -4.229 257 HA ILE 37 HA ILE 37 1.898 5.228 -1.903 258 HB ILE 37 HB ILE 37 4.320 6.088 -3.487 259 HG12 ILE 37 1HG1 ILE 37 2.765 3.536 -3.866 260 HG13 ILE 37 2HG1 ILE 37 2.370 4.996 -4.766 261 HG21 ILE 37 1HG2 ILE 37 4.610 5.010 -1.198 262 HG22 ILE 37 2HG2 ILE 37 3.956 3.546 -1.931 263 HG23 ILE 37 3HG2 ILE 37 5.447 4.252 -2.552 264 HD11 ILE 37 1HD1 ILE 37 5.148 3.889 -4.766 265 HD12 ILE 37 2HD1 ILE 37 3.907 3.266 -5.855 266 HD13 ILE 37 3HD1 ILE 37 4.377 4.964 -5.932 267 H SER 38 H SER 38 3.111 8.444 -2.576 268 HA SER 38 HA SER 38 4.834 8.867 -0.470 269 HB2 SER 38 1HB SER 38 4.372 11.226 -0.706 270 HB3 SER 38 2HB SER 38 4.325 10.493 -2.309 271 HG SER 38 HG SER 38 2.072 10.510 -2.203 272 H SER 39 H SER 39 1.352 8.659 -0.443 273 HA SER 39 HA SER 39 1.075 9.697 2.230 274 HB2 SER 39 1HB SER 39 -1.257 9.291 1.983 275 HB3 SER 39 2HB SER 39 -0.693 9.828 0.401 276 HG SER 39 HG SER 39 -1.161 7.937 -0.401 277 H SER 40 H SER 40 1.614 6.616 0.758 278 HA SER 40 HA SER 40 1.990 4.542 1.613 279 HB2 SER 40 1HB SER 40 2.065 5.780 4.362 280 HB3 SER 40 2HB SER 40 2.919 4.350 3.784 281 HG SER 40 HG SER 40 3.845 6.068 2.226 282 H LEU 41 H LEU 41 -0.732 5.715 1.453 283 HA LEU 41 HA LEU 41 -2.184 4.496 3.642 284 HB2 LEU 41 1HB LEU 41 -3.163 5.827 1.120 285 HB3 LEU 41 2HB LEU 41 -4.183 5.302 2.458 286 HG LEU 41 HG LEU 41 -2.030 7.395 2.721 287 HD11 LEU 41 1HD1 LEU 41 -4.167 8.882 2.878 288 HD12 LEU 41 2HD1 LEU 41 -4.893 7.601 1.908 289 HD13 LEU 41 3HD1 LEU 41 -3.484 8.474 1.304 290 HD21 LEU 41 1HD2 LEU 41 -4.374 6.715 4.492 291 HD22 LEU 41 2HD2 LEU 41 -3.129 7.925 4.803 292 HD23 LEU 41 3HD2 LEU 41 -2.709 6.211 4.782 293 H ALA 42 H ALA 42 -1.498 3.852 0.257 294 HA ALA 42 HA ALA 42 -3.297 1.619 0.081 295 HB1 ALA 42 1HB ALA 42 -1.149 2.684 -1.731 296 HB2 ALA 42 2HB ALA 42 -2.050 1.211 -2.091 297 HB3 ALA 42 3HB ALA 42 -2.899 2.750 -1.946 298 H VAL 43 H VAL 43 0.011 2.112 1.002 299 HA VAL 43 HA VAL 43 0.896 -0.573 0.662 300 HB VAL 43 HB VAL 43 1.993 1.609 2.441 301 HG11 VAL 43 1HG1 VAL 43 3.339 -0.925 1.512 302 HG12 VAL 43 2HG1 VAL 43 4.009 0.305 2.586 303 HG13 VAL 43 3HG1 VAL 43 2.652 -0.688 3.119 304 HG21 VAL 43 1HG2 VAL 43 3.634 1.935 0.660 305 HG22 VAL 43 2HG2 VAL 43 2.834 0.700 -0.312 306 HG23 VAL 43 3HG2 VAL 43 1.994 2.202 0.070 307 H VAL 44 H VAL 44 -0.259 1.281 3.463 308 HA VAL 44 HA VAL 44 0.024 -0.799 5.350 309 HB VAL 44 HB VAL 44 -1.892 1.537 5.412 310 HG11 VAL 44 1HG1 VAL 44 -2.463 0.985 7.517 311 HG12 VAL 44 2HG1 VAL 44 -1.955 -0.634 7.033 312 HG13 VAL 44 3HG1 VAL 44 -0.844 0.413 7.916 313 HG21 VAL 44 1HG2 VAL 44 0.535 2.108 5.144 314 HG22 VAL 44 2HG2 VAL 44 -0.217 2.739 6.609 315 HG23 VAL 44 3HG2 VAL 44 0.825 1.319 6.695 316 H ASP 45 H ASP 45 -2.701 0.240 3.342 317 HA ASP 45 HA ASP 45 -4.652 -1.457 4.408 318 HB2 ASP 45 1HB ASP 45 -4.287 -0.076 1.779 319 HB3 ASP 45 2HB ASP 45 -5.571 -1.271 1.944 320 H LEU 46 H LEU 46 -1.951 -2.125 2.382 321 HA LEU 46 HA LEU 46 -2.976 -4.612 1.347 322 HB2 LEU 46 1HB LEU 46 -1.304 -3.143 0.181 323 HB3 LEU 46 2HB LEU 46 -0.121 -3.654 1.384 324 HG LEU 46 HG LEU 46 -0.500 -6.015 0.601 325 HD11 LEU 46 1HD1 LEU 46 -1.733 -4.775 -1.835 326 HD12 LEU 46 2HD1 LEU 46 -2.719 -5.371 -0.500 327 HD13 LEU 46 3HD1 LEU 46 -1.656 -6.475 -1.373 328 HD21 LEU 46 1HD2 LEU 46 0.553 -5.230 -1.805 329 HD22 LEU 46 2HD2 LEU 46 1.459 -5.437 -0.306 330 HD23 LEU 46 3HD2 LEU 46 0.876 -3.838 -0.771 331 H ILE 47 H ILE 47 -0.456 -3.695 3.691 332 HA ILE 47 HA ILE 47 0.405 -6.174 4.486 333 HB ILE 47 HB ILE 47 -0.004 -3.695 6.154 334 HG12 ILE 47 1HG1 ILE 47 2.640 -4.833 5.339 335 HG13 ILE 47 2HG1 ILE 47 1.693 -3.946 4.150 336 HG21 ILE 47 1HG2 ILE 47 1.449 -6.235 6.886 337 HG22 ILE 47 2HG2 ILE 47 1.494 -4.732 7.807 338 HG23 ILE 47 3HG2 ILE 47 -0.023 -5.615 7.635 339 HD11 ILE 47 1HD1 ILE 47 3.483 -2.805 5.780 340 HD12 ILE 47 2HD1 ILE 47 2.074 -1.962 5.136 341 HD13 ILE 47 3HD1 ILE 47 2.030 -2.637 6.764 342 H ASP 48 H ASP 48 -2.613 -4.596 5.243 343 HA ASP 48 HA ASP 48 -3.372 -6.273 7.403 344 HB2 ASP 48 1HB ASP 48 -4.520 -4.216 7.240 345 HB3 ASP 48 2HB ASP 48 -4.907 -4.471 5.541 346 H ALA 49 H ALA 49 -4.343 -6.256 3.973 347 HA ALA 49 HA ALA 49 -6.040 -8.357 3.842 348 HB1 ALA 49 1HB ALA 49 -4.920 -6.875 1.973 349 HB2 ALA 49 2HB ALA 49 -3.896 -8.298 1.782 350 HB3 ALA 49 3HB ALA 49 -5.644 -8.438 1.592 351 H ILE 50 H ILE 50 -2.496 -8.599 3.887 352 HA ILE 50 HA ILE 50 -2.426 -11.432 3.729 353 HB ILE 50 HB ILE 50 -0.310 -9.599 4.860 354 HG12 ILE 50 1HG1 ILE 50 -0.231 -10.663 2.071 355 HG13 ILE 50 2HG1 ILE 50 -1.267 -9.280 2.409 356 HG21 ILE 50 1HG2 ILE 50 -0.306 -12.452 3.937 357 HG22 ILE 50 2HG2 ILE 50 1.171 -11.491 3.974 358 HG23 ILE 50 3HG2 ILE 50 0.270 -11.781 5.463 359 HD11 ILE 50 1HD1 ILE 50 1.654 -9.464 2.259 360 HD12 ILE 50 2HD1 ILE 50 0.576 -8.108 1.926 361 HD13 ILE 50 3HD1 ILE 50 1.029 -8.488 3.588 362 H GLN 51 H GLN 51 -1.827 -9.229 6.472 363 HA GLN 51 HA GLN 51 -2.712 -11.388 8.267 364 HB2 GLN 51 1HB GLN 51 -0.298 -11.152 8.455 365 HB3 GLN 51 2HB GLN 51 -0.462 -9.422 8.722 366 HG2 GLN 51 1HG GLN 51 -0.159 -10.178 10.858 367 HG3 GLN 51 2HG GLN 51 -1.918 -10.155 10.751 368 HE21 GLN 51 1HE2 GLN 51 0.663 -11.933 11.715 369 HE22 GLN 51 2HE2 GLN 51 -0.045 -13.509 11.699 370 HA PRO 52 HA PRO 52 -5.425 -7.732 8.942 371 HB2 PRO 52 1HB PRO 52 -7.658 -9.209 9.392 372 HB3 PRO 52 2HB PRO 52 -7.114 -8.760 7.772 373 HG2 PRO 52 1HG PRO 52 -6.745 -11.339 9.246 374 HG3 PRO 52 2HG PRO 52 -7.184 -11.073 7.548 375 HD2 PRO 52 1HD PRO 52 -4.669 -11.712 8.319 376 HD3 PRO 52 2HD PRO 52 -5.004 -10.679 6.915 377 H GLY 53 H GLY 53 -6.711 -7.152 10.852 378 HA2 GLY 53 1HA GLY 53 -7.260 -7.251 13.111 379 HA3 GLY 53 2HA GLY 53 -6.473 -8.819 13.207 380 H CYS 54 H CYS 54 -4.148 -7.266 11.769 381 HA CYS 54 HA CYS 54 -2.888 -6.466 14.289 382 HB2 CYS 54 1HB CYS 54 -0.824 -6.956 13.328 383 HB3 CYS 54 2HB CYS 54 -1.877 -8.164 12.600 384 HG CYS 54 HG CYS 54 -1.002 -7.627 10.251 385 H ILE 55 H ILE 55 -3.624 -5.276 11.056 386 HA ILE 55 HA ILE 55 -2.294 -2.772 11.386 387 HB ILE 55 HB ILE 55 -4.422 -3.617 9.417 388 HG12 ILE 55 1HG1 ILE 55 -2.192 -4.796 9.342 389 HG13 ILE 55 2HG1 ILE 55 -2.631 -3.946 7.865 390 HG21 ILE 55 1HG2 ILE 55 -2.627 -1.212 9.210 391 HG22 ILE 55 2HG2 ILE 55 -4.003 -1.635 8.193 392 HG23 ILE 55 3HG2 ILE 55 -4.263 -1.137 9.865 393 HD11 ILE 55 1HD1 ILE 55 -0.977 -2.520 9.876 394 HD12 ILE 55 2HD1 ILE 55 -0.222 -3.770 8.886 395 HD13 ILE 55 3HD1 ILE 55 -0.994 -2.382 8.118 396 H ASN 56 H ASN 56 -2.950 -1.071 12.511 397 HA ASN 56 HA ASN 56 -5.808 -0.858 13.194 398 HB2 ASN 56 1HB ASN 56 -4.124 -1.223 15.076 399 HB3 ASN 56 2HB ASN 56 -3.541 0.403 14.735 400 HD21 ASN 56 1HD2 ASN 56 -4.411 -0.012 17.189 401 HD22 ASN 56 2HD2 ASN 56 -5.960 0.707 17.451 402 H TYR 57 H TYR 57 -6.609 0.471 11.653 403 HA TYR 57 HA TYR 57 -5.257 2.617 10.456 404 HB2 TYR 57 1HB TYR 57 -8.184 1.957 10.733 405 HB3 TYR 57 2HB TYR 57 -7.632 3.389 9.873 406 HD1 TYR 57 2HD TYR 57 -5.432 2.623 8.286 407 HD2 TYR 57 1HD TYR 57 -8.859 0.305 9.280 408 HE1 TYR 57 2HE TYR 57 -5.107 1.280 6.252 409 HE2 TYR 57 1HE TYR 57 -8.542 -1.045 7.249 410 HH TYR 57 HH TYR 57 -6.579 -1.646 5.726 411 H ASP 58 H ASP 58 -7.290 2.439 13.321 412 HA ASP 58 HA ASP 58 -7.968 4.954 13.928 413 HB2 ASP 58 1HB ASP 58 -8.031 2.820 15.401 414 HB3 ASP 58 2HB ASP 58 -6.478 3.383 16.013 415 H LEU 59 H LEU 59 -4.681 3.694 14.017 416 HA LEU 59 HA LEU 59 -3.608 6.206 14.988 417 HB2 LEU 59 1HB LEU 59 -2.104 3.803 13.975 418 HB3 LEU 59 2HB LEU 59 -1.475 5.119 14.964 419 HG LEU 59 HG LEU 59 -3.587 3.197 15.921 420 HD11 LEU 59 1HD1 LEU 59 -1.100 2.391 15.285 421 HD12 LEU 59 2HD1 LEU 59 -2.038 1.718 16.618 422 HD13 LEU 59 3HD1 LEU 59 -0.830 2.963 16.931 423 HD21 LEU 59 1HD2 LEU 59 -2.558 5.624 16.934 424 HD22 LEU 59 2HD2 LEU 59 -1.927 4.326 17.947 425 HD23 LEU 59 3HD2 LEU 59 -3.668 4.498 17.715 426 H VAL 60 H VAL 60 -3.686 4.350 11.985 427 HA VAL 60 HA VAL 60 -1.948 5.938 10.470 428 HB VAL 60 HB VAL 60 -4.369 4.449 9.447 429 HG11 VAL 60 1HG1 VAL 60 -3.288 6.053 7.878 430 HG12 VAL 60 2HG1 VAL 60 -1.793 5.129 8.037 431 HG13 VAL 60 3HG1 VAL 60 -3.227 4.375 7.341 432 HG21 VAL 60 1HG2 VAL 60 -2.487 2.709 8.957 433 HG22 VAL 60 2HG2 VAL 60 -1.652 3.527 10.277 434 HG23 VAL 60 3HG2 VAL 60 -3.225 2.782 10.557 435 H LYS 61 H LYS 61 -2.143 7.854 9.483 436 HA LYS 61 HA LYS 61 -4.484 9.454 10.003 437 HB2 LYS 61 1HB LYS 61 -1.811 9.968 8.735 438 HB3 LYS 61 2HB LYS 61 -3.106 11.150 8.593 439 HG2 LYS 61 1HG LYS 61 -2.460 10.126 11.301 440 HG3 LYS 61 2HG LYS 61 -1.324 11.243 10.541 441 HD2 LYS 61 1HD LYS 61 -2.711 12.722 11.616 442 HD3 LYS 61 2HD LYS 61 -3.509 12.618 10.045 443 HE2 LYS 61 1HE LYS 61 -4.314 10.675 12.141 444 HE3 LYS 61 2HE LYS 61 -4.834 12.349 12.332 445 HZ1 LYS 61 1HZ LYS 61 -5.276 11.527 9.675 446 HZ2 LYS 61 2HZ LYS 61 -6.408 12.020 10.831 447 HZ3 LYS 61 3HZ LYS 61 -5.968 10.391 10.720 448 H SER 62 H SER 62 -5.011 11.003 7.975 449 HA SER 62 HA SER 62 -5.074 9.800 5.413 450 HB2 SER 62 1HB SER 62 -7.522 9.353 5.301 451 HB3 SER 62 2HB SER 62 -6.679 8.274 6.412 452 HG SER 62 HG SER 62 -7.451 9.476 8.130 453 H GLY 63 H GLY 63 -5.604 11.276 3.877 454 HA2 GLY 63 1HA GLY 63 -7.041 13.163 3.216 455 HA3 GLY 63 2HA GLY 63 -6.780 13.815 4.827 456 H ASN 64 H ASN 64 -5.164 15.222 5.120 457 HA ASN 64 HA ASN 64 -3.288 15.603 2.884 458 HB2 ASN 64 1HB ASN 64 -4.447 17.521 4.897 459 HB3 ASN 64 2HB ASN 64 -3.003 17.919 3.972 460 HD21 ASN 64 1HD2 ASN 64 -3.162 18.174 1.728 461 HD22 ASN 64 2HD2 ASN 64 -4.679 18.478 0.959 462 H LEU 65 H LEU 65 -1.823 14.014 3.649 463 HA LEU 65 HA LEU 65 -0.659 14.256 6.271 464 HB2 LEU 65 1HB LEU 65 0.413 12.636 3.978 465 HB3 LEU 65 2HB LEU 65 0.654 12.372 5.704 466 HG LEU 65 HG LEU 65 -2.010 12.069 4.326 467 HD11 LEU 65 1HD1 LEU 65 -0.043 9.908 5.063 468 HD12 LEU 65 2HD1 LEU 65 -0.341 10.486 3.424 469 HD13 LEU 65 3HD1 LEU 65 -1.630 9.690 4.326 470 HD21 LEU 65 1HD2 LEU 65 -2.780 11.147 6.314 471 HD22 LEU 65 2HD2 LEU 65 -1.781 12.493 6.860 472 HD23 LEU 65 3HD2 LEU 65 -1.153 10.846 6.922 473 H THR 66 H THR 66 0.616 15.946 6.674 474 HA THR 66 HA THR 66 2.132 17.296 4.676 475 HB THR 66 HB THR 66 3.111 18.567 6.563 476 HG1 THR 66 1HG THR 66 1.907 16.492 8.003 477 HG21 THR 66 1HG2 THR 66 0.128 18.242 6.878 478 HG22 THR 66 2HG2 THR 66 0.888 19.145 5.568 479 HG23 THR 66 3HG2 THR 66 1.093 19.673 7.237 480 H GLU 67 H GLU 67 4.526 17.701 4.985 481 HA GLU 67 HA GLU 67 6.086 15.629 4.374 482 HB2 GLU 67 1HB GLU 67 6.899 17.851 6.257 483 HB3 GLU 67 2HB GLU 67 8.012 16.808 5.383 484 HG2 GLU 67 1HG GLU 67 6.113 18.835 4.240 485 HG3 GLU 67 2HG GLU 67 7.876 18.865 4.211 486 H ASP 68 H ASP 68 5.022 16.411 7.630 487 HA ASP 68 HA ASP 68 6.626 14.373 8.874 488 HB2 ASP 68 1HB ASP 68 4.450 16.214 9.838 489 HB3 ASP 68 2HB ASP 68 5.066 14.919 10.861 490 H ASP 69 H ASP 69 3.094 14.804 8.582 491 HA ASP 69 HA ASP 69 2.188 12.426 9.495 492 HB2 ASP 69 1HB ASP 69 1.241 14.031 7.125 493 HB3 ASP 69 2HB ASP 69 0.376 12.608 7.700 494 H LYS 70 H LYS 70 3.033 12.974 6.071 495 HA LYS 70 HA LYS 70 2.704 10.493 5.034 496 HB2 LYS 70 1HB LYS 70 4.750 12.614 4.515 497 HB3 LYS 70 2HB LYS 70 4.898 11.065 3.695 498 HG2 LYS 70 1HG LYS 70 2.679 11.342 2.737 499 HG3 LYS 70 2HG LYS 70 2.495 12.878 3.587 500 HD2 LYS 70 1HD LYS 70 4.751 13.445 2.343 501 HD3 LYS 70 2HD LYS 70 4.190 12.192 1.233 502 HE2 LYS 70 1HE LYS 70 2.044 13.420 1.018 503 HE3 LYS 70 2HE LYS 70 2.716 14.703 2.024 504 HZ1 LYS 70 1HZ LYS 70 4.197 15.327 0.387 505 HZ2 LYS 70 2HZ LYS 70 2.828 14.925 -0.522 506 HZ3 LYS 70 3HZ LYS 70 4.123 13.840 -0.418 507 H HIS 71 H HIS 71 5.657 11.606 6.688 508 HA HIS 71 HA HIS 71 7.127 9.261 6.522 509 HB2 HIS 71 1HB HIS 71 7.096 11.566 8.419 510 HB3 HIS 71 2HB HIS 71 8.044 10.145 8.845 511 HD1 HIS 71 1HD HIS 71 9.554 9.364 6.507 512 HD2 HIS 71 2HD HIS 71 8.683 13.366 7.204 513 HE1 HIS 71 1HE HIS 71 11.257 10.662 5.188 514 HE2 HIS 71 2HE HIS 71 10.762 13.079 5.692 515 H ASN 72 H ASN 72 4.996 10.306 9.182 516 HA ASN 72 HA ASN 72 5.241 8.138 10.852 517 HB2 ASN 72 1HB ASN 72 2.855 9.883 10.247 518 HB3 ASN 72 2HB ASN 72 2.821 8.646 11.501 519 HD21 ASN 72 1HD2 ASN 72 3.956 11.757 10.583 520 HD22 ASN 72 2HD2 ASN 72 4.673 12.183 12.096 521 H ASN 73 H ASN 73 2.756 8.525 8.319 522 HA ASN 73 HA ASN 73 1.537 6.067 8.528 523 HB2 ASN 73 1HB ASN 73 2.081 7.654 6.009 524 HB3 ASN 73 2HB ASN 73 0.917 6.338 6.139 525 HD21 ASN 73 1HD2 ASN 73 -1.006 7.259 5.984 526 HD22 ASN 73 2HD2 ASN 73 -1.560 8.598 6.926 527 H ALA 74 H ALA 74 4.382 6.910 6.575 528 HA ALA 74 HA ALA 74 4.777 4.406 5.390 529 HB1 ALA 74 1HB ALA 74 6.253 5.689 4.336 530 HB2 ALA 74 2HB ALA 74 6.240 6.882 5.635 531 HB3 ALA 74 3HB ALA 74 7.317 5.490 5.728 532 H LYS 75 H LYS 75 6.492 5.787 8.202 533 HA LYS 75 HA LYS 75 8.041 3.701 8.963 534 HB2 LYS 75 1HB LYS 75 6.568 5.784 10.502 535 HB3 LYS 75 2HB LYS 75 7.308 4.468 11.405 536 HG2 LYS 75 1HG LYS 75 9.468 5.008 10.295 537 HG3 LYS 75 2HG LYS 75 8.688 6.418 9.574 538 HD2 LYS 75 1HD LYS 75 8.729 5.928 12.543 539 HD3 LYS 75 2HD LYS 75 10.007 6.815 11.709 540 HE2 LYS 75 1HE LYS 75 8.493 8.505 11.012 541 HE3 LYS 75 2HE LYS 75 7.095 7.550 11.503 542 HZ1 LYS 75 1HZ LYS 75 9.015 8.143 13.597 543 HZ2 LYS 75 2HZ LYS 75 7.325 8.154 13.642 544 HZ3 LYS 75 3HZ LYS 75 8.162 9.474 12.996 545 H TYR 76 H TYR 76 4.695 4.161 10.119 546 HA TYR 76 HA TYR 76 4.418 1.814 11.538 547 HB2 TYR 76 1HB TYR 76 2.769 3.744 11.343 548 HB3 TYR 76 2HB TYR 76 2.204 2.989 9.857 549 HD1 TYR 76 1HD TYR 76 3.098 1.679 13.247 550 HD2 TYR 76 2HD TYR 76 0.168 1.963 10.176 551 HE1 TYR 76 1HE TYR 76 1.594 0.240 14.557 552 HE2 TYR 76 2HE TYR 76 -1.345 0.526 11.478 553 HH TYR 76 HH TYR 76 -0.292 -1.129 14.344 554 H ALA 77 H ALA 77 3.865 2.358 8.078 555 HA ALA 77 HA ALA 77 2.933 -0.217 7.454 556 HB1 ALA 77 1HB ALA 77 4.530 1.343 5.476 557 HB2 ALA 77 2HB ALA 77 3.046 0.417 5.248 558 HB3 ALA 77 3HB ALA 77 2.991 1.988 6.048 559 H VAL 78 H VAL 78 6.183 1.111 7.696 560 HA VAL 78 HA VAL 78 7.541 -1.093 6.544 561 HB VAL 78 HB VAL 78 8.494 1.034 8.463 562 HG11 VAL 78 1HG1 VAL 78 10.026 -1.144 7.058 563 HG12 VAL 78 2HG1 VAL 78 10.785 0.306 7.719 564 HG13 VAL 78 3HG1 VAL 78 9.945 -0.818 8.789 565 HG21 VAL 78 1HG2 VAL 78 7.751 1.440 5.962 566 HG22 VAL 78 2HG2 VAL 78 9.165 2.245 6.642 567 HG23 VAL 78 3HG2 VAL 78 9.367 0.817 5.627 568 H SER 79 H SER 79 7.221 -0.120 9.964 569 HA SER 79 HA SER 79 8.430 -2.262 11.167 570 HB2 SER 79 1HB SER 79 6.796 -1.855 13.082 571 HB3 SER 79 2HB SER 79 7.724 -0.455 12.543 572 HG SER 79 HG SER 79 5.926 0.270 11.422 573 H MET 80 H MET 80 4.948 -2.013 10.433 574 HA MET 80 HA MET 80 4.218 -4.571 11.241 575 HB2 MET 80 1HB MET 80 3.050 -2.859 9.041 576 HB3 MET 80 2HB MET 80 2.280 -4.298 9.698 577 HG2 MET 80 1HG MET 80 2.855 -1.715 11.122 578 HG3 MET 80 2HG MET 80 1.282 -2.396 10.712 579 HE1 MET 80 1HE MET 80 0.163 -4.538 12.158 580 HE2 MET 80 2HE MET 80 1.488 -5.293 11.271 581 HE3 MET 80 3HE MET 80 1.282 -5.615 12.993 582 H ALA 81 H ALA 81 5.150 -3.450 7.993 583 HA ALA 81 HA ALA 81 4.854 -5.689 6.495 584 HB1 ALA 81 1HB ALA 81 6.471 -4.858 5.019 585 HB2 ALA 81 2HB ALA 81 5.833 -3.427 5.828 586 HB3 ALA 81 3HB ALA 81 7.390 -4.094 6.316 587 H ARG 82 H ARG 82 7.841 -4.944 8.305 588 HA ARG 82 HA ARG 82 8.888 -7.582 7.910 589 HB2 ARG 82 1HB ARG 82 10.703 -6.837 9.411 590 HB3 ARG 82 2HB ARG 82 10.405 -5.699 8.104 591 HG2 ARG 82 1HG ARG 82 9.381 -4.150 9.535 592 HG3 ARG 82 2HG ARG 82 9.188 -5.344 10.821 593 HD2 ARG 82 1HD ARG 82 11.894 -4.515 9.817 594 HD3 ARG 82 2HD ARG 82 11.052 -3.609 11.074 595 HE ARG 82 HE ARG 82 11.140 -6.354 11.738 596 HH11 ARG 82 2HH1 ARG 82 13.154 -3.521 11.552 597 HH12 ARG 82 1HH1 ARG 82 14.245 -4.056 12.787 598 HH21 ARG 82 2HH2 ARG 82 12.569 -7.069 13.366 599 HH22 ARG 82 1HH2 ARG 82 13.912 -6.075 13.818 600 H ARG 83 H ARG 83 6.683 -6.218 10.081 601 HA ARG 83 HA ARG 83 7.264 -7.829 12.368 602 HB2 ARG 83 1HB ARG 83 6.011 -5.652 12.418 603 HB3 ARG 83 2HB ARG 83 4.653 -6.480 11.670 604 HG2 ARG 83 1HG ARG 83 4.639 -8.043 13.623 605 HG3 ARG 83 2HG ARG 83 5.841 -6.997 14.382 606 HD2 ARG 83 1HD ARG 83 4.108 -5.115 13.862 607 HD3 ARG 83 2HD ARG 83 2.968 -6.457 13.766 608 HE ARG 83 HE ARG 83 3.077 -6.667 16.042 609 HH11 ARG 83 2HH1 ARG 83 5.739 -4.709 14.947 610 HH12 ARG 83 1HH1 ARG 83 6.239 -4.264 16.545 611 HH21 ARG 83 2HH2 ARG 83 3.726 -6.088 18.151 612 HH22 ARG 83 1HH2 ARG 83 5.094 -5.050 18.367 613 H ILE 84 H ILE 84 5.179 -8.142 9.559 614 HA ILE 84 HA ILE 84 3.901 -10.534 10.563 615 HB ILE 84 HB ILE 84 2.890 -10.636 8.268 616 HG12 ILE 84 1HG1 ILE 84 4.033 -7.879 7.869 617 HG13 ILE 84 2HG1 ILE 84 4.871 -9.310 7.278 618 HG21 ILE 84 1HG2 ILE 84 2.570 -8.393 10.181 619 HG22 ILE 84 2HG2 ILE 84 1.722 -8.282 8.640 620 HG23 ILE 84 3HG2 ILE 84 1.430 -9.653 9.710 621 HD11 ILE 84 1HD1 ILE 84 3.561 -8.309 5.518 622 HD12 ILE 84 2HD1 ILE 84 2.898 -9.887 5.942 623 HD13 ILE 84 3HD1 ILE 84 2.104 -8.417 6.506 624 H GLY 85 H GLY 85 6.690 -9.727 8.710 625 HA2 GLY 85 1HA GLY 85 8.247 -11.760 8.728 626 HA3 GLY 85 2HA GLY 85 6.957 -12.521 7.809 627 H ALA 86 H ALA 86 8.984 -9.591 7.755 628 HA ALA 86 HA ALA 86 9.467 -10.066 4.907 629 HB1 ALA 86 1HB ALA 86 8.669 -8.077 4.160 630 HB2 ALA 86 2HB ALA 86 7.585 -8.290 5.535 631 HB3 ALA 86 3HB ALA 86 8.998 -7.246 5.680 632 H ARG 87 H ARG 87 11.498 -9.567 4.243 633 HA ARG 87 HA ARG 87 13.319 -8.501 6.291 634 HB2 ARG 87 1HB ARG 87 15.084 -9.727 5.254 635 HB3 ARG 87 2HB ARG 87 13.720 -10.825 5.416 636 HG2 ARG 87 1HG ARG 87 13.970 -9.335 2.869 637 HG3 ARG 87 2HG ARG 87 15.133 -10.624 3.182 638 HD2 ARG 87 1HD ARG 87 13.548 -12.263 3.101 639 HD3 ARG 87 2HD ARG 87 12.266 -11.201 3.682 640 HE ARG 87 HE ARG 87 12.921 -10.260 1.186 641 HH11 ARG 87 2HH1 ARG 87 11.799 -13.274 2.519 642 HH12 ARG 87 1HH1 ARG 87 10.947 -13.741 1.085 643 HH21 ARG 87 2HH2 ARG 87 11.802 -10.863 -0.708 644 HH22 ARG 87 1HH2 ARG 87 10.950 -12.370 -0.751 645 H VAL 88 H VAL 88 11.598 -7.114 4.154 646 HA VAL 88 HA VAL 88 13.369 -5.954 2.271 647 HB VAL 88 HB VAL 88 10.971 -5.951 1.879 648 HG11 VAL 88 1HG1 VAL 88 9.401 -5.101 3.273 649 HG12 VAL 88 2HG1 VAL 88 10.648 -5.410 4.482 650 HG13 VAL 88 3HG1 VAL 88 10.441 -3.787 3.822 651 HG21 VAL 88 1HG2 VAL 88 10.993 -3.141 1.930 652 HG22 VAL 88 2HG2 VAL 88 12.665 -3.647 1.687 653 HG23 VAL 88 3HG2 VAL 88 11.407 -4.200 0.582 654 H TYR 89 H TYR 89 15.144 -4.948 3.039 655 HA TYR 89 HA TYR 89 15.052 -3.266 5.376 656 HB2 TYR 89 1HB TYR 89 17.479 -2.747 4.483 657 HB3 TYR 89 2HB TYR 89 17.111 -4.294 5.239 658 HD1 TYR 89 2HD TYR 89 16.800 -6.313 3.829 659 HD2 TYR 89 1HD TYR 89 18.088 -2.608 2.180 660 HE1 TYR 89 2HE TYR 89 17.580 -7.487 1.814 661 HE2 TYR 89 1HE TYR 89 18.870 -3.772 0.160 662 HH TYR 89 HH TYR 89 18.611 -7.302 -0.142 663 H ALA 90 H ALA 90 13.247 -2.319 3.528 664 HA ALA 90 HA ALA 90 14.449 -0.124 2.066 665 HB1 ALA 90 1HB ALA 90 11.554 -0.888 2.430 666 HB2 ALA 90 2HB ALA 90 12.158 0.364 1.344 667 HB3 ALA 90 3HB ALA 90 12.586 -1.324 1.067 668 H LEU 91 H LEU 91 14.648 1.907 2.764 669 HA LEU 91 HA LEU 91 14.089 2.589 5.456 670 HB2 LEU 91 1HB LEU 91 14.637 4.556 3.254 671 HB3 LEU 91 2HB LEU 91 15.013 4.704 4.970 672 HG LEU 91 HG LEU 91 16.402 2.994 2.916 673 HD11 LEU 91 1HD1 LEU 91 16.863 5.534 3.346 674 HD12 LEU 91 2HD1 LEU 91 18.199 4.399 3.152 675 HD13 LEU 91 3HD1 LEU 91 17.718 4.925 4.764 676 HD21 LEU 91 1HD2 LEU 91 16.108 2.568 5.762 677 HD22 LEU 91 2HD2 LEU 91 17.796 2.811 5.312 678 HD23 LEU 91 3HD2 LEU 91 16.850 1.538 4.538 679 HA PRO 92 HA PRO 92 9.944 4.037 5.239 680 HB2 PRO 92 1HB PRO 92 9.978 5.853 7.257 681 HB3 PRO 92 2HB PRO 92 9.997 4.108 7.535 682 HG2 PRO 92 1HG PRO 92 12.271 6.054 7.554 683 HG3 PRO 92 2HG PRO 92 11.930 4.721 8.672 684 HD2 PRO 92 1HD PRO 92 13.751 4.520 6.678 685 HD3 PRO 92 2HD PRO 92 12.797 3.134 7.243 686 H GLU 93 H GLU 93 12.625 6.023 4.581 687 HA GLU 93 HA GLU 93 11.071 8.410 4.027 688 HB2 GLU 93 1HB GLU 93 13.996 7.802 3.559 689 HB3 GLU 93 2HB GLU 93 13.237 9.369 3.317 690 HG2 GLU 93 1HG GLU 93 12.583 9.279 5.758 691 HG3 GLU 93 2HG GLU 93 13.672 7.899 5.897 692 H ASP 94 H ASP 94 12.293 5.649 2.349 693 HA ASP 94 HA ASP 94 12.355 6.681 -0.272 694 HB2 ASP 94 1HB ASP 94 11.640 3.829 0.364 695 HB3 ASP 94 2HB ASP 94 12.560 4.455 -1.002 696 H LEU 95 H LEU 95 9.782 5.179 1.627 697 HA LEU 95 HA LEU 95 7.867 4.973 -0.413 698 HB2 LEU 95 1HB LEU 95 7.395 5.446 2.526 699 HB3 LEU 95 2HB LEU 95 6.224 4.815 1.370 700 HG LEU 95 HG LEU 95 8.786 3.397 2.083 701 HD11 LEU 95 1HD1 LEU 95 6.931 3.825 3.923 702 HD12 LEU 95 2HD1 LEU 95 7.767 2.279 3.782 703 HD13 LEU 95 3HD1 LEU 95 6.154 2.474 3.097 704 HD21 LEU 95 1HD2 LEU 95 6.606 2.941 0.205 705 HD22 LEU 95 2HD2 LEU 95 6.902 1.567 1.270 706 HD23 LEU 95 3HD2 LEU 95 8.210 2.213 0.279 707 H VAL 96 H VAL 96 8.665 7.613 1.789 708 HA VAL 96 HA VAL 96 6.516 9.309 1.188 709 HB VAL 96 HB VAL 96 9.330 9.982 2.051 710 HG11 VAL 96 1HG1 VAL 96 6.914 11.783 2.095 711 HG12 VAL 96 2HG1 VAL 96 8.559 12.190 2.587 712 HG13 VAL 96 3HG1 VAL 96 8.198 11.870 0.890 713 HG21 VAL 96 1HG2 VAL 96 8.364 10.223 4.257 714 HG22 VAL 96 2HG2 VAL 96 6.757 9.867 3.623 715 HG23 VAL 96 3HG2 VAL 96 8.001 8.618 3.621 716 H GLU 97 H GLU 97 9.817 9.283 -0.162 717 HA GLU 97 HA GLU 97 9.185 11.242 -2.151 718 HB2 GLU 97 1HB GLU 97 11.555 9.373 -1.972 719 HB3 GLU 97 2HB GLU 97 11.430 10.778 -3.021 720 HG2 GLU 97 1HG GLU 97 11.188 12.181 -0.964 721 HG3 GLU 97 2HG GLU 97 11.566 10.742 -0.019 722 H VAL 98 H VAL 98 8.420 8.026 -1.866 723 HA VAL 98 HA VAL 98 7.588 6.454 -3.287 724 HB VAL 98 HB VAL 98 7.346 8.693 -5.297 725 HG11 VAL 98 1HG1 VAL 98 5.176 6.901 -5.393 726 HG12 VAL 98 2HG1 VAL 98 6.450 7.129 -6.593 727 HG13 VAL 98 3HG1 VAL 98 6.640 5.921 -5.322 728 HG21 VAL 98 1HG2 VAL 98 4.969 8.015 -3.745 729 HG22 VAL 98 2HG2 VAL 98 6.263 8.721 -2.777 730 HG23 VAL 98 3HG2 VAL 98 5.631 9.593 -4.173 731 H LYS 99 H LYS 99 10.344 6.568 -3.166 732 HA LYS 99 HA LYS 99 11.644 6.734 -5.655 733 HB2 LYS 99 1HB LYS 99 12.424 5.005 -3.302 734 HB3 LYS 99 2HB LYS 99 13.481 5.565 -4.592 735 HG2 LYS 99 1HG LYS 99 12.917 7.921 -3.819 736 HG3 LYS 99 2HG LYS 99 12.234 7.161 -2.379 737 HD2 LYS 99 1HD LYS 99 14.340 6.219 -1.782 738 HD3 LYS 99 2HD LYS 99 15.049 6.671 -3.334 739 HE2 LYS 99 1HE LYS 99 14.672 9.061 -2.723 740 HE3 LYS 99 2HE LYS 99 14.158 8.520 -1.126 741 HZ1 LYS 99 1HZ LYS 99 16.309 7.637 -0.702 742 HZ2 LYS 99 2HZ LYS 99 16.523 9.216 -1.268 743 HZ3 LYS 99 3HZ LYS 99 16.814 7.903 -2.295 744 HA PRO 100 HA PRO 100 9.784 3.043 -7.403 745 HB2 PRO 100 1HB PRO 100 10.839 3.399 -9.879 746 HB3 PRO 100 2HB PRO 100 9.421 4.284 -9.302 747 HG2 PRO 100 1HG PRO 100 12.280 5.162 -9.431 748 HG3 PRO 100 2HG PRO 100 10.813 6.063 -9.856 749 HD2 PRO 100 1HD PRO 100 12.109 6.416 -7.505 750 HD3 PRO 100 2HD PRO 100 10.349 6.590 -7.660 751 H LYS 101 H LYS 101 12.882 3.659 -6.480 752 HA LYS 101 HA LYS 101 14.017 1.275 -7.756 753 HB2 LYS 101 1HB LYS 101 15.285 3.540 -6.213 754 HB3 LYS 101 2HB LYS 101 16.169 2.111 -6.731 755 HG2 LYS 101 1HG LYS 101 16.657 3.552 -8.433 756 HG3 LYS 101 2HG LYS 101 15.224 2.755 -9.087 757 HD2 LYS 101 1HD LYS 101 14.789 5.006 -9.467 758 HD3 LYS 101 2HD LYS 101 13.924 4.687 -7.962 759 HE2 LYS 101 1HE LYS 101 15.060 6.715 -7.609 760 HE3 LYS 101 2HE LYS 101 16.014 5.495 -6.767 761 HZ1 LYS 101 1HZ LYS 101 17.739 5.761 -8.159 762 HZ2 LYS 101 2HZ LYS 101 17.044 7.273 -8.462 763 HZ3 LYS 101 3HZ LYS 101 16.765 5.987 -9.525 764 H MET 102 H MET 102 12.431 2.152 -4.964 765 HA MET 102 HA MET 102 13.517 -0.185 -3.550 766 HB2 MET 102 1HB MET 102 12.829 2.491 -2.325 767 HB3 MET 102 2HB MET 102 13.212 1.041 -1.406 768 HG2 MET 102 1HG MET 102 15.091 2.292 -3.390 769 HG3 MET 102 2HG MET 102 15.084 2.678 -1.671 770 HE1 MET 102 1HE MET 102 15.474 1.006 0.198 771 HE2 MET 102 2HE MET 102 14.485 -0.335 -0.381 772 HE3 MET 102 3HE MET 102 16.183 -0.599 0.019 773 H VAL 103 H VAL 103 10.813 2.030 -4.019 774 HA VAL 103 HA VAL 103 8.930 0.665 -2.430 775 HB VAL 103 HB VAL 103 8.498 2.423 -4.848 776 HG11 VAL 103 1HG1 VAL 103 6.206 2.683 -3.573 777 HG12 VAL 103 2HG1 VAL 103 6.465 1.379 -4.734 778 HG13 VAL 103 3HG1 VAL 103 6.601 1.062 -3.004 779 HG21 VAL 103 1HG2 VAL 103 9.444 3.821 -3.285 780 HG22 VAL 103 2HG2 VAL 103 7.734 3.973 -2.882 781 HG23 VAL 103 3HG2 VAL 103 8.775 2.925 -1.920 782 H MET 104 H MET 104 10.381 -0.194 -5.365 783 HA MET 104 HA MET 104 8.212 -1.689 -6.483 784 HB2 MET 104 1HB MET 104 9.858 -2.540 -8.055 785 HB3 MET 104 2HB MET 104 10.050 -0.802 -7.866 786 HG2 MET 104 1HG MET 104 11.941 -1.153 -6.383 787 HG3 MET 104 2HG MET 104 11.735 -2.898 -6.516 788 HE1 MET 104 1HE MET 104 12.438 -3.986 -9.732 789 HE2 MET 104 2HE MET 104 13.902 -3.995 -8.749 790 HE3 MET 104 3HE MET 104 12.331 -4.269 -7.994 791 H THR 105 H THR 105 11.129 -2.522 -4.639 792 HA THR 105 HA THR 105 10.489 -5.320 -4.560 793 HB THR 105 HB THR 105 12.831 -4.429 -4.449 794 HG1 THR 105 1HG THR 105 12.075 -6.032 -2.215 795 HG21 THR 105 1HG2 THR 105 11.731 -3.066 -2.158 796 HG22 THR 105 2HG2 THR 105 13.285 -2.833 -2.959 797 HG23 THR 105 3HG2 THR 105 13.119 -4.047 -1.691 798 H VAL 106 H VAL 106 9.669 -2.554 -2.693 799 HA VAL 106 HA VAL 106 9.212 -3.716 -0.181 800 HB VAL 106 HB VAL 106 7.931 -1.347 -1.533 801 HG11 VAL 106 1HG1 VAL 106 6.940 -0.748 0.593 802 HG12 VAL 106 2HG1 VAL 106 6.362 -2.337 0.091 803 HG13 VAL 106 3HG1 VAL 106 7.599 -2.202 1.340 804 HG21 VAL 106 1HG2 VAL 106 9.657 -0.178 -0.750 805 HG22 VAL 106 2HG2 VAL 106 9.471 -0.861 0.865 806 HG23 VAL 106 3HG2 VAL 106 10.422 -1.716 -0.350 807 H PHE 107 H PHE 107 7.236 -3.570 -3.083 808 HA PHE 107 HA PHE 107 4.934 -4.724 -1.764 809 HB2 PHE 107 1HB PHE 107 5.541 -3.826 -4.562 810 HB3 PHE 107 2HB PHE 107 4.133 -4.835 -4.245 811 HD1 PHE 107 1HD PHE 107 2.623 -3.988 -2.245 812 HD2 PHE 107 2HD PHE 107 5.275 -1.550 -4.511 813 HE1 PHE 107 1HE PHE 107 1.336 -1.993 -1.599 814 HE2 PHE 107 2HE PHE 107 3.993 0.449 -3.868 815 HZ PHE 107 HZ PHE 107 2.021 0.229 -2.409 816 H ALA 108 H ALA 108 7.439 -5.745 -4.034 817 HA ALA 108 HA ALA 108 6.425 -8.300 -4.607 818 HB1 ALA 108 1HB ALA 108 9.267 -7.296 -4.598 819 HB2 ALA 108 2HB ALA 108 8.752 -8.844 -5.270 820 HB3 ALA 108 3HB ALA 108 8.157 -7.338 -5.969 821 H CYS 109 H CYS 109 8.529 -7.137 -2.020 822 HA CYS 109 HA CYS 109 9.248 -9.626 -0.948 823 HB2 CYS 109 1HB CYS 109 10.056 -8.447 0.913 824 HB3 CYS 109 2HB CYS 109 10.178 -7.286 -0.403 825 HG CYS 109 HG CYS 109 8.680 -6.943 2.457 826 H LEU 110 H LEU 110 6.377 -7.666 -0.560 827 HA LEU 110 HA LEU 110 5.346 -9.239 1.627 828 HB2 LEU 110 1HB LEU 110 3.944 -7.210 -0.106 829 HB3 LEU 110 2HB LEU 110 3.359 -7.860 1.424 830 HG LEU 110 HG LEU 110 5.941 -6.343 1.297 831 HD11 LEU 110 1HD1 LEU 110 4.232 -4.460 2.151 832 HD12 LEU 110 2HD1 LEU 110 3.203 -5.289 0.983 833 HD13 LEU 110 3HD1 LEU 110 4.750 -4.613 0.472 834 HD21 LEU 110 1HD2 LEU 110 3.933 -6.368 3.515 835 HD22 LEU 110 2HD2 LEU 110 5.673 -6.091 3.584 836 HD23 LEU 110 3HD2 LEU 110 5.050 -7.717 3.304 837 H MET 111 H MET 111 5.033 -9.142 -1.850 838 HA MET 111 HA MET 111 2.706 -10.728 -2.080 839 HB2 MET 111 1HB MET 111 3.416 -9.441 -3.968 840 HB3 MET 111 2HB MET 111 4.995 -10.214 -3.979 841 HG2 MET 111 1HG MET 111 3.530 -12.384 -4.326 842 HG3 MET 111 2HG MET 111 2.383 -11.209 -4.966 843 HE1 MET 111 1HE MET 111 3.762 -9.212 -7.125 844 HE2 MET 111 2HE MET 111 3.381 -10.457 -8.315 845 HE3 MET 111 3HE MET 111 2.330 -10.221 -6.918 846 H GLY 112 H GLY 112 6.164 -11.550 -2.153 847 HA2 GLY 112 1HA GLY 112 6.135 -14.196 -2.771 848 HA3 GLY 112 2HA GLY 112 7.211 -13.519 -1.556 849 H ARG 113 H ARG 113 4.733 -12.760 0.038 850 HA ARG 113 HA ARG 113 4.350 -15.416 1.244 851 HB2 ARG 113 1HB ARG 113 5.362 -13.317 2.493 852 HB3 ARG 113 2HB ARG 113 3.667 -12.893 2.688 853 HG2 ARG 113 1HG ARG 113 3.223 -14.903 3.890 854 HG3 ARG 113 2HG ARG 113 4.828 -15.538 3.522 855 HD2 ARG 113 1HD ARG 113 5.172 -14.766 5.650 856 HD3 ARG 113 2HD ARG 113 5.616 -13.335 4.720 857 HE ARG 113 HE ARG 113 3.800 -12.247 5.593 858 HH11 ARG 113 2HH1 ARG 113 3.464 -15.666 6.153 859 HH12 ARG 113 1HH1 ARG 113 2.080 -15.493 7.182 860 HH21 ARG 113 2HH2 ARG 113 1.979 -12.006 6.945 861 HH22 ARG 113 1HH2 ARG 113 1.236 -13.411 7.631 862 H GLY 114 H GLY 114 2.521 -12.348 1.136 863 HA2 GLY 114 1HA GLY 114 0.008 -13.310 1.618 864 HA3 GLY 114 2HA GLY 114 0.327 -11.936 0.569 865 H MET 115 H MET 115 1.656 -13.232 -1.521 866 HA MET 115 HA MET 115 -0.439 -14.040 -3.143 867 HB2 MET 115 1HB MET 115 1.632 -13.319 -4.118 868 HB3 MET 115 2HB MET 115 2.515 -14.628 -3.343 869 HG2 MET 115 1HG MET 115 2.318 -15.421 -5.478 870 HG3 MET 115 2HG MET 115 0.910 -16.152 -4.710 871 HE1 MET 115 1HE MET 115 -0.472 -15.704 -8.117 872 HE2 MET 115 2HE MET 115 1.193 -15.163 -8.328 873 HE3 MET 115 3HE MET 115 0.836 -16.525 -7.265 874 H LYS 116 H LYS 116 -1.646 -15.808 -3.181 875 HA LYS 116 HA LYS 116 -2.415 -17.912 -2.770 876 HB2 LYS 116 1HB LYS 116 -0.307 -18.206 -4.346 877 HB3 LYS 116 2HB LYS 116 0.359 -19.004 -2.927 878 HG2 LYS 116 1HG LYS 116 -0.592 -20.687 -4.288 879 HG3 LYS 116 2HG LYS 116 -1.677 -20.468 -2.912 880 HD2 LYS 116 1HD LYS 116 -3.127 -19.051 -4.294 881 HD3 LYS 116 2HD LYS 116 -2.045 -19.292 -5.669 882 HE2 LYS 116 1HE LYS 116 -3.128 -21.693 -4.287 883 HE3 LYS 116 2HE LYS 116 -4.214 -20.768 -5.322 884 HZ1 LYS 116 1HZ LYS 116 -3.258 -22.394 -6.688 885 HZ2 LYS 116 2HZ LYS 116 -1.702 -22.137 -6.077 886 HZ3 LYS 116 3HZ LYS 116 -2.423 -20.972 -7.069 887 H ARG 117 H ARG 117 -2.110 -16.535 -0.470 888 HA ARG 117 HA ARG 117 -0.548 -18.060 1.426 889 HB2 ARG 117 1HB ARG 117 -0.898 -15.559 1.552 890 HB3 ARG 117 2HB ARG 117 -2.561 -15.891 2.017 891 HG2 ARG 117 1HG ARG 117 -1.556 -15.596 4.058 892 HG3 ARG 117 2HG ARG 117 -1.465 -17.348 3.873 893 HD2 ARG 117 1HD ARG 117 0.842 -16.905 2.826 894 HD3 ARG 117 2HD ARG 117 0.705 -15.303 3.548 895 HE ARG 117 HE ARG 117 1.258 -16.247 5.540 896 HH11 ARG 117 2HH1 ARG 117 -0.132 -18.712 3.513 897 HH12 ARG 117 1HH1 ARG 117 0.120 -19.983 4.662 898 HH21 ARG 117 2HH2 ARG 117 1.596 -17.913 7.062 899 HH22 ARG 117 1HH2 ARG 117 1.103 -19.528 6.681 900 H VAL 118 H VAL 118 -2.453 -19.635 0.107 901 HA VAL 118 HA VAL 118 -3.862 -20.711 2.375 902 HB VAL 118 HB VAL 118 -5.477 -19.025 1.645 903 HG11 VAL 118 1HG1 VAL 118 -4.632 -19.149 -0.784 904 HG12 VAL 118 2HG1 VAL 118 -5.781 -20.478 -0.959 905 HG13 VAL 118 3HG1 VAL 118 -6.352 -18.871 -0.508 906 HG21 VAL 118 1HG2 VAL 118 -6.051 -21.926 1.416 907 HG22 VAL 118 2HG2 VAL 118 -6.673 -20.735 2.558 908 HG23 VAL 118 3HG2 VAL 118 -7.315 -20.801 0.917 909 H SER 119 H SER 119 -3.283 -22.772 2.205 910 HA SER 119 HA SER 119 -2.816 -23.998 -0.370 911 HB2 SER 119 1HB SER 119 -2.410 -24.808 2.482 912 HB3 SER 119 2HB SER 119 -2.452 -26.059 1.239 913 HG SER 119 HG SER 119 -0.482 -25.522 0.796 914 H GLY 120 H GLY 120 -3.702 -26.293 -0.685 915 HA2 GLY 120 1HA GLY 120 -6.609 -26.153 -0.279 916 HA3 GLY 120 2HA GLY 120 -5.793 -27.088 -1.523 917 HA PRO 121 HA PRO 121 -7.060 -30.046 1.779 918 HB2 PRO 121 1HB PRO 121 -7.841 -31.985 0.046 919 HB3 PRO 121 2HB PRO 121 -8.905 -30.669 0.559 920 HG2 PRO 121 1HG PRO 121 -7.309 -30.944 -1.959 921 HG3 PRO 121 2HG PRO 121 -8.974 -30.372 -1.747 922 HD2 PRO 121 1HD PRO 121 -6.885 -28.682 -2.082 923 HD3 PRO 121 2HD PRO 121 -8.301 -28.266 -1.096 924 H SER 122 H SER 122 -6.414 -32.448 1.913 925 HA SER 122 HA SER 122 -3.599 -32.630 1.133 926 HB2 SER 122 1HB SER 122 -3.416 -34.359 2.846 927 HB3 SER 122 2HB SER 122 -4.181 -32.922 3.524 928 HG SER 122 HG SER 122 -6.053 -33.960 3.667 929 H SER 123 H SER 123 -6.611 -34.491 1.005 930 HA SER 123 HA SER 123 -5.673 -36.800 -0.209 931 HB2 SER 123 1HB SER 123 -7.991 -37.065 -1.085 932 HB3 SER 123 2HB SER 123 -7.947 -36.646 0.627 933 HG SER 123 HG SER 123 -9.232 -35.088 0.052 934 H GLY 124 H GLY 124 -4.756 -37.193 -2.109 935 HA2 GLY 124 1HA GLY 124 -4.739 -37.097 -4.496 936 HA3 GLY 124 2HA GLY 124 -5.446 -35.491 -4.403 Start of MODEL 18 1 H1 GLY 1 H GLY 1 4.278 6.436 -28.765 2 HA2 GLY 1 1HA GLY 1 3.577 7.369 -26.085 3 HA3 GLY 1 2HA GLY 1 2.933 5.811 -26.581 4 H SER 2 H SER 2 4.308 5.478 -24.476 5 HA SER 2 HA SER 2 7.132 5.074 -25.097 6 HB2 SER 2 1HB SER 2 5.516 5.109 -22.573 7 HB3 SER 2 2HB SER 2 7.082 4.298 -22.590 8 HG SER 2 HG SER 2 6.580 7.004 -23.291 9 H SER 3 H SER 3 8.164 3.022 -24.488 10 HA SER 3 HA SER 3 6.685 0.806 -25.575 11 HB2 SER 3 1HB SER 3 9.088 1.155 -26.077 12 HB3 SER 3 2HB SER 3 9.468 0.857 -24.381 13 HG SER 3 HG SER 3 8.728 -1.242 -24.612 14 H GLY 4 H GLY 4 8.473 1.231 -22.509 15 HA2 GLY 4 1HA GLY 4 6.911 0.761 -20.519 16 HA3 GLY 4 2HA GLY 4 6.703 -0.795 -21.309 17 H SER 5 H SER 5 7.507 -1.768 -19.366 18 HA SER 5 HA SER 5 10.428 -1.519 -19.063 19 HB2 SER 5 1HB SER 5 8.323 -2.239 -17.014 20 HB3 SER 5 2HB SER 5 10.057 -2.394 -16.733 21 HG SER 5 HG SER 5 9.681 -0.407 -16.014 22 H SER 6 H SER 6 11.609 -3.243 -19.556 23 HA SER 6 HA SER 6 10.361 -5.656 -20.454 24 HB2 SER 6 1HB SER 6 12.551 -4.547 -21.304 25 HB3 SER 6 2HB SER 6 13.314 -5.380 -19.950 26 HG SER 6 HG SER 6 12.807 -7.310 -20.837 27 H GLY 7 H GLY 7 9.501 -7.009 -19.007 28 HA2 GLY 7 1HA GLY 7 10.574 -8.835 -17.498 29 HA3 GLY 7 2HA GLY 7 10.902 -7.453 -16.464 30 H ASN 8 H ASN 8 9.616 -8.750 -14.921 31 HA ASN 8 HA ASN 8 6.733 -8.687 -15.422 32 HB2 ASN 8 1HB ASN 8 8.402 -10.039 -13.297 33 HB3 ASN 8 2HB ASN 8 6.641 -10.013 -13.264 34 HD21 ASN 8 1HD2 ASN 8 6.048 -12.020 -13.713 35 HD22 ASN 8 2HD2 ASN 8 6.566 -12.937 -15.082 36 H ASP 9 H ASP 9 7.026 -6.248 -15.268 37 HA ASP 9 HA ASP 9 7.351 -5.187 -12.598 38 HB2 ASP 9 1HB ASP 9 8.136 -3.990 -14.663 39 HB3 ASP 9 2HB ASP 9 6.447 -3.734 -15.089 40 H ASP 10 H ASP 10 4.730 -4.996 -15.013 41 HA ASP 10 HA ASP 10 2.759 -3.991 -13.352 42 HB2 ASP 10 1HB ASP 10 1.150 -4.806 -14.968 43 HB3 ASP 10 2HB ASP 10 2.573 -4.216 -15.822 44 H ILE 11 H ILE 11 3.686 -7.358 -13.915 45 HA ILE 11 HA ILE 11 1.761 -8.817 -12.745 46 HB ILE 11 HB ILE 11 4.691 -9.167 -12.099 47 HG12 ILE 11 1HG1 ILE 11 4.390 -9.041 -14.499 48 HG13 ILE 11 2HG1 ILE 11 4.677 -10.718 -14.048 49 HG21 ILE 11 1HG2 ILE 11 4.128 -11.018 -11.011 50 HG22 ILE 11 2HG2 ILE 11 2.435 -10.559 -11.184 51 HG23 ILE 11 3HG2 ILE 11 3.195 -11.596 -12.392 52 HD11 ILE 11 1HD1 ILE 11 2.933 -10.516 -15.734 53 HD12 ILE 11 2HD1 ILE 11 2.299 -11.183 -14.229 54 HD13 ILE 11 3HD1 ILE 11 1.992 -9.497 -14.644 55 H ILE 12 H ILE 12 4.292 -7.092 -10.934 56 HA ILE 12 HA ILE 12 3.391 -7.815 -8.368 57 HB ILE 12 HB ILE 12 4.924 -5.350 -9.204 58 HG12 ILE 12 1HG1 ILE 12 6.057 -7.838 -7.946 59 HG13 ILE 12 2HG1 ILE 12 5.863 -7.709 -9.691 60 HG21 ILE 12 1HG2 ILE 12 5.425 -4.941 -6.977 61 HG22 ILE 12 2HG2 ILE 12 3.726 -5.406 -6.916 62 HG23 ILE 12 3HG2 ILE 12 4.975 -6.569 -6.472 63 HD11 ILE 12 1HD1 ILE 12 7.814 -6.444 -7.905 64 HD12 ILE 12 2HD1 ILE 12 7.951 -6.908 -9.602 65 HD13 ILE 12 3HD1 ILE 12 7.151 -5.399 -9.162 66 H VAL 13 H VAL 13 2.963 -4.731 -10.115 67 HA VAL 13 HA VAL 13 1.330 -3.419 -8.346 68 HB VAL 13 HB VAL 13 1.108 -3.376 -11.359 69 HG11 VAL 13 1HG1 VAL 13 0.009 -1.555 -9.233 70 HG12 VAL 13 2HG1 VAL 13 0.212 -1.048 -10.911 71 HG13 VAL 13 3HG1 VAL 13 -0.864 -2.389 -10.518 72 HG21 VAL 13 1HG2 VAL 13 2.373 -1.074 -10.539 73 HG22 VAL 13 2HG2 VAL 13 3.059 -2.305 -9.479 74 HG23 VAL 13 3HG2 VAL 13 3.158 -2.494 -11.230 75 H ASN 14 H ASN 14 0.274 -5.574 -10.979 76 HA ASN 14 HA ASN 14 -2.454 -5.434 -10.607 77 HB2 ASN 14 1HB ASN 14 -0.605 -7.504 -11.683 78 HB3 ASN 14 2HB ASN 14 -2.261 -7.996 -11.342 79 HD21 ASN 14 1HD2 ASN 14 -1.243 -8.044 -13.889 80 HD22 ASN 14 2HD2 ASN 14 -2.025 -6.836 -14.845 81 H TRP 15 H TRP 15 -0.151 -7.620 -9.015 82 HA TRP 15 HA TRP 15 -2.021 -9.035 -7.477 83 HB2 TRP 15 1HB TRP 15 0.359 -9.705 -7.845 84 HB3 TRP 15 2HB TRP 15 0.847 -8.428 -6.734 85 HD1 TRP 15 HD TRP 15 -0.849 -11.860 -6.792 86 HE1 TRP 15 1HE TRP 15 -0.873 -12.804 -4.397 87 HE3 TRP 15 3HE TRP 15 0.863 -7.749 -4.281 88 HZ2 TRP 15 2HZ TRP 15 -0.250 -11.923 -1.789 89 HZ3 TRP 15 3HZ TRP 15 1.120 -7.882 -1.837 90 HH2 TRP 15 HH TRP 15 0.574 -9.926 -0.619 91 H VAL 16 H VAL 16 -0.137 -6.120 -6.739 92 HA VAL 16 HA VAL 16 -0.727 -5.720 -4.103 93 HB VAL 16 HB VAL 16 -0.635 -3.629 -6.281 94 HG11 VAL 16 1HG1 VAL 16 -1.343 -3.385 -3.518 95 HG12 VAL 16 2HG1 VAL 16 0.185 -2.552 -3.815 96 HG13 VAL 16 3HG1 VAL 16 -1.246 -2.134 -4.757 97 HG21 VAL 16 1HG2 VAL 16 1.412 -4.995 -4.602 98 HG22 VAL 16 2HG2 VAL 16 1.468 -4.548 -6.307 99 HG23 VAL 16 3HG2 VAL 16 1.674 -3.314 -5.064 100 H ASN 17 H ASN 17 -2.755 -4.801 -6.873 101 HA ASN 17 HA ASN 17 -4.850 -3.719 -5.280 102 HB2 ASN 17 1HB ASN 17 -4.500 -4.419 -8.160 103 HB3 ASN 17 2HB ASN 17 -6.137 -4.182 -7.556 104 HD21 ASN 17 1HD2 ASN 17 -3.008 -2.681 -8.002 105 HD22 ASN 17 2HD2 ASN 17 -3.568 -1.048 -7.930 106 H ARG 18 H ARG 18 -4.236 -6.873 -6.728 107 HA ARG 18 HA ARG 18 -6.721 -8.059 -6.332 108 HB2 ARG 18 1HB ARG 18 -4.682 -8.985 -7.565 109 HB3 ARG 18 2HB ARG 18 -4.108 -9.519 -5.991 110 HG2 ARG 18 1HG ARG 18 -5.784 -11.092 -5.764 111 HG3 ARG 18 2HG ARG 18 -6.840 -10.281 -6.922 112 HD2 ARG 18 1HD ARG 18 -4.227 -11.333 -7.879 113 HD3 ARG 18 2HD ARG 18 -5.523 -12.482 -7.552 114 HE ARG 18 HE ARG 18 -5.312 -10.799 -9.803 115 HH11 ARG 18 2HH1 ARG 18 -7.658 -12.000 -7.528 116 HH12 ARG 18 1HH1 ARG 18 -8.984 -11.887 -8.636 117 HH21 ARG 18 2HH2 ARG 18 -7.050 -10.645 -11.272 118 HH22 ARG 18 1HH2 ARG 18 -8.637 -11.117 -10.766 119 H THR 19 H THR 19 -3.876 -8.170 -4.186 120 HA THR 19 HA THR 19 -5.082 -9.567 -2.089 121 HB THR 19 HB THR 19 -2.895 -7.494 -1.836 122 HG1 THR 19 1HG THR 19 -2.034 -8.938 -3.201 123 HG21 THR 19 1HG2 THR 19 -4.021 -9.573 -0.029 124 HG22 THR 19 2HG2 THR 19 -3.392 -7.968 0.348 125 HG23 THR 19 3HG2 THR 19 -2.280 -9.294 0.010 126 H LEU 20 H LEU 20 -5.197 -6.188 -2.954 127 HA LEU 20 HA LEU 20 -6.179 -5.207 -0.481 128 HB2 LEU 20 1HB LEU 20 -6.320 -4.140 -3.290 129 HB3 LEU 20 2HB LEU 20 -6.957 -3.267 -1.899 130 HG LEU 20 HG LEU 20 -4.092 -4.130 -1.941 131 HD11 LEU 20 1HD1 LEU 20 -3.584 -2.814 -3.648 132 HD12 LEU 20 2HD1 LEU 20 -4.257 -1.439 -2.774 133 HD13 LEU 20 3HD1 LEU 20 -5.282 -2.384 -3.854 134 HD21 LEU 20 1HD2 LEU 20 -5.737 -2.035 -0.567 135 HD22 LEU 20 2HD2 LEU 20 -3.983 -1.891 -0.678 136 HD23 LEU 20 3HD2 LEU 20 -4.705 -3.279 0.138 137 H SER 21 H SER 21 -7.817 -6.023 -3.537 138 HA SER 21 HA SER 21 -10.428 -5.501 -2.648 139 HB2 SER 21 1HB SER 21 -9.217 -7.019 -4.906 140 HB3 SER 21 2HB SER 21 -10.909 -7.342 -4.528 141 HG SER 21 HG SER 21 -10.188 -5.482 -6.035 142 H GLU 22 H GLU 22 -8.539 -8.504 -2.689 143 HA GLU 22 HA GLU 22 -10.276 -10.415 -1.968 144 HB2 GLU 22 1HB GLU 22 -7.483 -9.853 -1.101 145 HB3 GLU 22 2HB GLU 22 -8.363 -11.115 -0.251 146 HG2 GLU 22 1HG GLU 22 -8.888 -11.991 -2.639 147 HG3 GLU 22 2HG GLU 22 -7.504 -11.003 -3.104 148 H ALA 23 H ALA 23 -8.875 -8.076 0.316 149 HA ALA 23 HA ALA 23 -10.599 -9.007 2.451 150 HB1 ALA 23 1HB ALA 23 -8.491 -8.423 3.239 151 HB2 ALA 23 2HB ALA 23 -8.425 -6.955 2.262 152 HB3 ALA 23 3HB ALA 23 -9.486 -7.031 3.669 153 H GLY 24 H GLY 24 -10.284 -6.174 0.359 154 HA2 GLY 24 1HA GLY 24 -12.378 -5.121 -0.360 155 HA3 GLY 24 2HA GLY 24 -12.956 -5.321 1.287 156 H LYS 25 H LYS 25 -9.914 -4.045 -0.053 157 HA LYS 25 HA LYS 25 -10.105 -1.773 1.755 158 HB2 LYS 25 1HB LYS 25 -7.913 -2.516 -0.193 159 HB3 LYS 25 2HB LYS 25 -7.820 -1.271 1.047 160 HG2 LYS 25 1HG LYS 25 -8.251 -4.190 1.633 161 HG3 LYS 25 2HG LYS 25 -6.671 -3.404 1.621 162 HD2 LYS 25 1HD LYS 25 -7.087 -2.234 3.543 163 HD3 LYS 25 2HD LYS 25 -8.829 -2.185 3.265 164 HE2 LYS 25 1HE LYS 25 -8.621 -4.784 3.622 165 HE3 LYS 25 2HE LYS 25 -7.152 -4.328 4.482 166 HZ1 LYS 25 1HZ LYS 25 -9.402 -4.480 5.737 167 HZ2 LYS 25 2HZ LYS 25 -9.666 -2.938 5.097 168 HZ3 LYS 25 3HZ LYS 25 -8.327 -3.223 6.091 169 H SER 26 H SER 26 -9.883 0.413 1.032 170 HA SER 26 HA SER 26 -11.107 0.835 -1.603 171 HB2 SER 26 1HB SER 26 -12.280 1.750 0.402 172 HB3 SER 26 2HB SER 26 -10.883 2.782 0.705 173 HG SER 26 HG SER 26 -12.198 2.814 -1.788 174 H THR 27 H THR 27 -8.132 0.580 -0.563 175 HA THR 27 HA THR 27 -7.107 2.994 -1.895 176 HB THR 27 HB THR 27 -4.882 2.214 -0.869 177 HG1 THR 27 1HG THR 27 -6.114 0.115 -0.259 178 HG21 THR 27 1HG2 THR 27 -5.982 4.158 -0.010 179 HG22 THR 27 2HG2 THR 27 -5.501 3.170 1.369 180 HG23 THR 27 3HG2 THR 27 -7.181 3.176 0.831 181 H SER 28 H SER 28 -5.338 2.788 -3.379 182 HA SER 28 HA SER 28 -4.403 0.298 -4.338 183 HB2 SER 28 1HB SER 28 -5.506 0.436 -6.612 184 HB3 SER 28 2HB SER 28 -6.574 -0.030 -5.289 185 HG SER 28 HG SER 28 -6.788 2.050 -6.951 186 H ILE 29 H ILE 29 -2.783 0.524 -5.898 187 HA ILE 29 HA ILE 29 -1.987 3.311 -6.422 188 HB ILE 29 HB ILE 29 0.331 2.396 -6.671 189 HG12 ILE 29 1HG1 ILE 29 -0.674 -0.056 -5.249 190 HG13 ILE 29 2HG1 ILE 29 -0.611 0.005 -7.007 191 HG21 ILE 29 1HG2 ILE 29 -0.170 1.602 -3.949 192 HG22 ILE 29 2HG2 ILE 29 0.637 3.042 -4.568 193 HG23 ILE 29 3HG2 ILE 29 -1.115 3.030 -4.371 194 HD11 ILE 29 1HD1 ILE 29 1.358 -1.043 -5.797 195 HD12 ILE 29 2HD1 ILE 29 1.721 0.171 -7.024 196 HD13 ILE 29 3HD1 ILE 29 1.789 0.598 -5.315 197 H GLN 30 H GLN 30 -0.218 3.178 -8.352 198 HA GLN 30 HA GLN 30 -1.485 1.693 -10.555 199 HB2 GLN 30 1HB GLN 30 -0.459 4.535 -10.621 200 HB3 GLN 30 2HB GLN 30 -1.005 3.633 -12.028 201 HG2 GLN 30 1HG GLN 30 -2.749 4.188 -9.645 202 HG3 GLN 30 2HG GLN 30 -2.660 5.243 -11.054 203 HE21 GLN 30 1HE2 GLN 30 -3.880 2.310 -9.755 204 HE22 GLN 30 2HE2 GLN 30 -4.822 1.836 -11.123 205 H SER 31 H SER 31 1.421 2.988 -9.122 206 HA SER 31 HA SER 31 3.061 0.995 -10.279 207 HB2 SER 31 1HB SER 31 2.617 2.788 -12.166 208 HB3 SER 31 2HB SER 31 3.852 3.697 -11.296 209 HG SER 31 HG SER 31 5.324 2.163 -11.749 210 H PHE 32 H PHE 32 5.483 1.615 -9.922 211 HA PHE 32 HA PHE 32 5.734 2.303 -7.160 212 HB2 PHE 32 1HB PHE 32 8.038 2.030 -9.079 213 HB3 PHE 32 2HB PHE 32 7.998 1.671 -7.356 214 HD1 PHE 32 1HD PHE 32 6.385 -0.242 -6.636 215 HD2 PHE 32 2HD PHE 32 7.836 0.311 -10.599 216 HE1 PHE 32 1HE PHE 32 5.906 -2.602 -7.137 217 HE2 PHE 32 2HE PHE 32 7.359 -2.048 -11.107 218 HZ PHE 32 HZ PHE 32 6.392 -3.509 -9.375 219 H LYS 33 H LYS 33 5.701 4.101 -10.023 220 HA LYS 33 HA LYS 33 7.334 6.268 -8.946 221 HB2 LYS 33 1HB LYS 33 6.102 5.693 -11.620 222 HB3 LYS 33 2HB LYS 33 6.617 7.326 -11.220 223 HG2 LYS 33 1HG LYS 33 8.854 6.108 -10.568 224 HG3 LYS 33 2HG LYS 33 8.242 4.879 -11.677 225 HD2 LYS 33 1HD LYS 33 8.263 7.752 -12.505 226 HD3 LYS 33 2HD LYS 33 9.753 6.808 -12.571 227 HE2 LYS 33 1HE LYS 33 8.939 6.427 -14.675 228 HE3 LYS 33 2HE LYS 33 8.207 5.076 -13.810 229 HZ1 LYS 33 1HZ LYS 33 6.954 7.300 -15.101 230 HZ2 LYS 33 2HZ LYS 33 6.413 7.103 -13.511 231 HZ3 LYS 33 3HZ LYS 33 6.288 5.824 -14.611 232 H ASP 34 H ASP 34 4.056 5.316 -9.197 233 HA ASP 34 HA ASP 34 2.619 7.634 -9.377 234 HB2 ASP 34 1HB ASP 34 1.790 5.227 -9.021 235 HB3 ASP 34 2HB ASP 34 1.954 5.558 -7.299 236 H LYS 35 H LYS 35 1.747 9.114 -7.850 237 HA LYS 35 HA LYS 35 3.601 9.680 -5.655 238 HB2 LYS 35 1HB LYS 35 1.409 11.481 -6.677 239 HB3 LYS 35 2HB LYS 35 2.813 11.926 -5.716 240 HG2 LYS 35 1HG LYS 35 3.249 10.724 -8.401 241 HG3 LYS 35 2HG LYS 35 2.718 12.404 -8.292 242 HD2 LYS 35 1HD LYS 35 4.980 12.716 -8.235 243 HD3 LYS 35 2HD LYS 35 4.669 12.526 -6.508 244 HE2 LYS 35 1HE LYS 35 5.093 10.015 -6.949 245 HE3 LYS 35 2HE LYS 35 5.844 10.565 -8.446 246 HZ1 LYS 35 1HZ LYS 35 6.867 10.627 -5.791 247 HZ2 LYS 35 2HZ LYS 35 6.900 12.167 -6.488 248 HZ3 LYS 35 3HZ LYS 35 7.675 10.875 -7.257 249 H THR 36 H THR 36 1.504 7.602 -5.535 250 HA THR 36 HA THR 36 -0.282 8.714 -3.487 251 HB THR 36 HB THR 36 -1.517 6.546 -3.713 252 HG1 THR 36 1HG THR 36 -0.832 5.055 -5.095 253 HG21 THR 36 1HG2 THR 36 -1.628 7.383 -6.470 254 HG22 THR 36 2HG2 THR 36 -1.515 8.781 -5.400 255 HG23 THR 36 3HG2 THR 36 -2.814 7.608 -5.185 256 H ILE 37 H ILE 37 2.191 6.283 -4.031 257 HA ILE 37 HA ILE 37 1.982 4.794 -1.703 258 HB ILE 37 HB ILE 37 4.551 5.589 -3.079 259 HG12 ILE 37 1HG1 ILE 37 3.143 2.995 -3.555 260 HG13 ILE 37 2HG1 ILE 37 2.564 4.435 -4.384 261 HG21 ILE 37 1HG2 ILE 37 5.637 3.981 -1.894 262 HG22 ILE 37 2HG2 ILE 37 4.405 4.403 -0.706 263 HG23 ILE 37 3HG2 ILE 37 4.196 2.978 -1.722 264 HD11 ILE 37 1HD1 ILE 37 4.940 2.820 -4.863 265 HD12 ILE 37 2HD1 ILE 37 4.052 3.892 -5.947 266 HD13 ILE 37 3HD1 ILE 37 5.251 4.555 -4.837 267 H SER 38 H SER 38 3.395 7.962 -2.219 268 HA SER 38 HA SER 38 4.916 8.298 0.047 269 HB2 SER 38 1HB SER 38 4.454 10.705 -0.153 270 HB3 SER 38 2HB SER 38 4.748 9.985 -1.736 271 HG SER 38 HG SER 38 2.888 10.791 -2.257 272 H SER 39 H SER 39 1.422 8.393 -0.276 273 HA SER 39 HA SER 39 0.924 9.382 2.357 274 HB2 SER 39 1HB SER 39 -1.391 8.959 1.903 275 HB3 SER 39 2HB SER 39 -0.671 9.542 0.402 276 HG SER 39 HG SER 39 -1.105 7.695 -0.498 277 H SER 40 H SER 40 1.616 6.286 1.018 278 HA SER 40 HA SER 40 1.854 4.217 1.931 279 HB2 SER 40 1HB SER 40 1.730 5.624 4.607 280 HB3 SER 40 2HB SER 40 2.454 4.053 4.263 281 HG SER 40 HG SER 40 3.539 6.506 4.047 282 H LEU 41 H LEU 41 -0.816 5.367 1.451 283 HA LEU 41 HA LEU 41 -2.497 4.237 3.525 284 HB2 LEU 41 1HB LEU 41 -3.221 5.467 0.869 285 HB3 LEU 41 2HB LEU 41 -4.357 5.027 2.142 286 HG LEU 41 HG LEU 41 -2.203 7.115 2.448 287 HD11 LEU 41 1HD1 LEU 41 -4.861 7.235 1.225 288 HD12 LEU 41 2HD1 LEU 41 -3.491 8.336 1.082 289 HD13 LEU 41 3HD1 LEU 41 -4.572 8.451 2.470 290 HD21 LEU 41 1HD2 LEU 41 -4.396 6.062 4.174 291 HD22 LEU 41 2HD2 LEU 41 -3.932 7.759 4.306 292 HD23 LEU 41 3HD2 LEU 41 -2.738 6.492 4.594 293 H ALA 42 H ALA 42 -1.464 3.475 0.256 294 HA ALA 42 HA ALA 42 -3.259 1.255 -0.048 295 HB1 ALA 42 1HB ALA 42 -1.858 0.759 -2.062 296 HB2 ALA 42 2HB ALA 42 -2.559 2.378 -2.031 297 HB3 ALA 42 3HB ALA 42 -0.857 2.146 -1.631 298 H VAL 43 H VAL 43 0.191 1.633 0.689 299 HA VAL 43 HA VAL 43 0.931 -1.044 0.729 300 HB VAL 43 HB VAL 43 1.974 1.111 2.571 301 HG11 VAL 43 1HG1 VAL 43 3.754 -0.994 1.546 302 HG12 VAL 43 2HG1 VAL 43 3.653 -0.272 3.153 303 HG13 VAL 43 3HG1 VAL 43 2.518 -1.537 2.680 304 HG21 VAL 43 1HG2 VAL 43 3.375 0.388 0.061 305 HG22 VAL 43 2HG2 VAL 43 1.922 1.378 -0.079 306 HG23 VAL 43 3HG2 VAL 43 3.279 1.936 0.900 307 H VAL 44 H VAL 44 -0.148 0.964 3.471 308 HA VAL 44 HA VAL 44 -0.103 -1.002 5.435 309 HB VAL 44 HB VAL 44 -2.033 1.312 5.205 310 HG11 VAL 44 1HG1 VAL 44 -1.162 0.115 7.793 311 HG12 VAL 44 2HG1 VAL 44 -2.639 0.997 7.400 312 HG13 VAL 44 3HG1 VAL 44 -2.439 -0.673 6.868 313 HG21 VAL 44 1HG2 VAL 44 0.434 1.289 6.895 314 HG22 VAL 44 2HG2 VAL 44 0.538 1.697 5.182 315 HG23 VAL 44 3HG2 VAL 44 -0.474 2.660 6.258 316 H ASP 45 H ASP 45 -2.812 -0.015 3.347 317 HA ASP 45 HA ASP 45 -4.727 -1.778 4.336 318 HB2 ASP 45 1HB ASP 45 -4.336 -0.488 1.647 319 HB3 ASP 45 2HB ASP 45 -5.677 -1.594 1.935 320 H LEU 46 H LEU 46 -2.250 -2.257 1.868 321 HA LEU 46 HA LEU 46 -3.076 -4.746 0.910 322 HB2 LEU 46 1HB LEU 46 -1.333 -3.343 -0.122 323 HB3 LEU 46 2HB LEU 46 -0.255 -3.728 1.219 324 HG LEU 46 HG LEU 46 -0.567 -6.179 0.478 325 HD11 LEU 46 1HD1 LEU 46 -1.330 -4.798 -2.089 326 HD12 LEU 46 2HD1 LEU 46 -2.453 -5.680 -1.054 327 HD13 LEU 46 3HD1 LEU 46 -1.117 -6.530 -1.831 328 HD21 LEU 46 1HD2 LEU 46 1.292 -4.209 -0.121 329 HD22 LEU 46 2HD2 LEU 46 0.938 -4.963 -1.676 330 HD23 LEU 46 3HD2 LEU 46 1.497 -5.949 -0.325 331 H ILE 47 H ILE 47 -0.646 -4.039 3.423 332 HA ILE 47 HA ILE 47 0.021 -6.587 4.175 333 HB ILE 47 HB ILE 47 -0.369 -4.218 6.008 334 HG12 ILE 47 1HG1 ILE 47 2.283 -5.184 5.019 335 HG13 ILE 47 2HG1 ILE 47 1.280 -4.217 3.943 336 HG21 ILE 47 1HG2 ILE 47 1.591 -5.678 7.149 337 HG22 ILE 47 2HG2 ILE 47 -0.110 -5.798 7.593 338 HG23 ILE 47 3HG2 ILE 47 0.592 -6.962 6.470 339 HD11 ILE 47 1HD1 ILE 47 3.028 -3.025 5.376 340 HD12 ILE 47 2HD1 ILE 47 1.400 -2.349 5.321 341 HD13 ILE 47 3HD1 ILE 47 1.916 -3.295 6.717 342 H ASP 48 H ASP 48 -2.583 -4.635 5.637 343 HA ASP 48 HA ASP 48 -3.635 -6.317 7.457 344 HB2 ASP 48 1HB ASP 48 -4.559 -4.081 6.856 345 HB3 ASP 48 2HB ASP 48 -5.320 -4.812 5.446 346 H ALA 49 H ALA 49 -4.590 -6.381 4.020 347 HA ALA 49 HA ALA 49 -6.296 -8.502 3.997 348 HB1 ALA 49 1HB ALA 49 -6.212 -8.046 1.830 349 HB2 ALA 49 2HB ALA 49 -4.732 -7.115 2.065 350 HB3 ALA 49 3HB ALA 49 -4.643 -8.844 1.728 351 H ILE 50 H ILE 50 -2.779 -8.794 3.450 352 HA ILE 50 HA ILE 50 -2.653 -11.570 3.413 353 HB ILE 50 HB ILE 50 -0.532 -9.679 4.439 354 HG12 ILE 50 1HG1 ILE 50 -0.532 -10.834 1.684 355 HG13 ILE 50 2HG1 ILE 50 -1.593 -9.470 2.019 356 HG21 ILE 50 1HG2 ILE 50 0.284 -12.136 3.081 357 HG22 ILE 50 2HG2 ILE 50 0.894 -11.400 4.563 358 HG23 ILE 50 3HG2 ILE 50 -0.555 -12.405 4.609 359 HD11 ILE 50 1HD1 ILE 50 0.564 -8.785 1.084 360 HD12 ILE 50 2HD1 ILE 50 0.297 -8.130 2.700 361 HD13 ILE 50 3HD1 ILE 50 1.381 -9.503 2.473 362 H GLN 51 H GLN 51 -1.930 -9.420 6.170 363 HA GLN 51 HA GLN 51 -2.794 -11.583 7.965 364 HB2 GLN 51 1HB GLN 51 -0.402 -11.633 8.057 365 HB3 GLN 51 2HB GLN 51 -0.312 -9.883 8.207 366 HG2 GLN 51 1HG GLN 51 -0.858 -9.899 10.418 367 HG3 GLN 51 2HG GLN 51 -1.793 -11.388 10.291 368 HE21 GLN 51 1HE2 GLN 51 1.314 -9.995 10.816 369 HE22 GLN 51 2HE2 GLN 51 2.138 -11.456 11.229 370 HA PRO 52 HA PRO 52 -5.114 -7.732 8.945 371 HB2 PRO 52 1HB PRO 52 -7.431 -9.025 9.521 372 HB3 PRO 52 2HB PRO 52 -6.969 -8.568 7.877 373 HG2 PRO 52 1HG PRO 52 -6.724 -11.219 9.246 374 HG3 PRO 52 2HG PRO 52 -7.260 -10.858 7.595 375 HD2 PRO 52 1HD PRO 52 -4.762 -11.738 8.155 376 HD3 PRO 52 2HD PRO 52 -5.105 -10.632 6.810 377 H GLY 53 H GLY 53 -6.286 -7.158 10.962 378 HA2 GLY 53 1HA GLY 53 -6.744 -7.421 13.250 379 HA3 GLY 53 2HA GLY 53 -5.820 -8.916 13.241 380 H CYS 54 H CYS 54 -3.602 -7.457 11.797 381 HA CYS 54 HA CYS 54 -2.309 -6.472 14.212 382 HB2 CYS 54 1HB CYS 54 -0.247 -6.688 13.030 383 HB3 CYS 54 2HB CYS 54 -1.203 -8.115 12.647 384 HG CYS 54 HG CYS 54 -0.797 -7.871 10.132 385 H ILE 55 H ILE 55 -3.371 -5.324 11.071 386 HA ILE 55 HA ILE 55 -2.138 -2.751 11.302 387 HB ILE 55 HB ILE 55 -4.404 -3.616 9.501 388 HG12 ILE 55 1HG1 ILE 55 -2.279 -4.929 9.262 389 HG13 ILE 55 2HG1 ILE 55 -2.739 -4.035 7.817 390 HG21 ILE 55 1HG2 ILE 55 -3.752 -1.083 10.015 391 HG22 ILE 55 2HG2 ILE 55 -2.549 -1.427 8.772 392 HG23 ILE 55 3HG2 ILE 55 -4.265 -1.627 8.417 393 HD11 ILE 55 1HD1 ILE 55 -0.894 -2.781 7.868 394 HD12 ILE 55 2HD1 ILE 55 -0.962 -2.572 9.619 395 HD13 ILE 55 3HD1 ILE 55 -0.267 -4.040 8.931 396 H ASN 56 H ASN 56 -2.857 -0.989 12.311 397 HA ASN 56 HA ASN 56 -5.664 -0.945 13.207 398 HB2 ASN 56 1HB ASN 56 -3.762 -1.262 14.966 399 HB3 ASN 56 2HB ASN 56 -3.484 0.459 14.718 400 HD21 ASN 56 1HD2 ASN 56 -4.122 -0.223 17.170 401 HD22 ASN 56 2HD2 ASN 56 -5.756 0.186 17.554 402 H TYR 57 H TYR 57 -6.558 0.389 11.720 403 HA TYR 57 HA TYR 57 -5.314 2.611 10.539 404 HB2 TYR 57 1HB TYR 57 -8.239 1.950 10.910 405 HB3 TYR 57 2HB TYR 57 -7.658 3.295 9.934 406 HD1 TYR 57 2HD TYR 57 -5.363 2.137 8.544 407 HD2 TYR 57 1HD TYR 57 -9.154 0.418 9.424 408 HE1 TYR 57 2HE TYR 57 -5.124 0.636 6.611 409 HE2 TYR 57 1HE TYR 57 -8.925 -1.089 7.494 410 HH TYR 57 HH TYR 57 -6.425 -1.961 6.127 411 H ASP 58 H ASP 58 -7.344 2.312 13.409 412 HA ASP 58 HA ASP 58 -8.045 4.802 14.085 413 HB2 ASP 58 1HB ASP 58 -6.558 3.188 16.138 414 HB3 ASP 58 2HB ASP 58 -7.996 4.184 16.344 415 H LEU 59 H LEU 59 -4.758 3.606 13.997 416 HA LEU 59 HA LEU 59 -3.733 6.141 15.033 417 HB2 LEU 59 1HB LEU 59 -2.136 3.734 14.198 418 HB3 LEU 59 2HB LEU 59 -1.621 5.073 15.221 419 HG LEU 59 HG LEU 59 -3.770 3.127 16.032 420 HD11 LEU 59 1HD1 LEU 59 -2.187 1.582 16.246 421 HD12 LEU 59 2HD1 LEU 59 -1.502 2.583 17.525 422 HD13 LEU 59 3HD1 LEU 59 -0.906 2.736 15.873 423 HD21 LEU 59 1HD2 LEU 59 -3.758 4.154 18.054 424 HD22 LEU 59 2HD2 LEU 59 -3.257 5.530 17.072 425 HD23 LEU 59 3HD2 LEU 59 -2.052 4.587 17.950 426 H VAL 60 H VAL 60 -3.705 4.148 12.123 427 HA VAL 60 HA VAL 60 -1.875 5.594 10.597 428 HB VAL 60 HB VAL 60 -4.346 4.158 9.613 429 HG11 VAL 60 1HG1 VAL 60 -3.313 4.067 7.478 430 HG12 VAL 60 2HG1 VAL 60 -3.226 5.747 8.010 431 HG13 VAL 60 3HG1 VAL 60 -1.799 4.714 8.108 432 HG21 VAL 60 1HG2 VAL 60 -1.679 2.908 9.429 433 HG22 VAL 60 2HG2 VAL 60 -2.371 3.026 11.046 434 HG23 VAL 60 3HG2 VAL 60 -3.251 2.186 9.770 435 H LYS 61 H LYS 61 -1.935 7.481 9.539 436 HA LYS 61 HA LYS 61 -4.240 9.194 9.900 437 HB2 LYS 61 1HB LYS 61 -1.418 9.560 9.013 438 HB3 LYS 61 2HB LYS 61 -2.604 10.748 8.487 439 HG2 LYS 61 1HG LYS 61 -2.342 9.990 11.373 440 HG3 LYS 61 2HG LYS 61 -1.294 11.205 10.638 441 HD2 LYS 61 1HD LYS 61 -3.002 12.703 10.354 442 HD3 LYS 61 2HD LYS 61 -4.230 11.442 10.219 443 HE2 LYS 61 1HE LYS 61 -2.827 11.767 12.820 444 HE3 LYS 61 2HE LYS 61 -4.027 12.977 12.368 445 HZ1 LYS 61 1HZ LYS 61 -4.404 10.096 12.863 446 HZ2 LYS 61 2HZ LYS 61 -5.504 10.946 11.900 447 HZ3 LYS 61 3HZ LYS 61 -5.256 11.407 13.508 448 H SER 62 H SER 62 -4.707 10.688 7.902 449 HA SER 62 HA SER 62 -4.510 9.574 5.306 450 HB2 SER 62 1HB SER 62 -6.955 9.058 5.013 451 HB3 SER 62 2HB SER 62 -6.097 7.930 6.063 452 HG SER 62 HG SER 62 -7.223 8.606 7.728 453 H GLY 63 H GLY 63 -5.678 10.837 3.694 454 HA2 GLY 63 1HA GLY 63 -6.815 12.741 2.943 455 HA3 GLY 63 2HA GLY 63 -6.936 13.298 4.606 456 H ASN 64 H ASN 64 -6.014 15.240 4.693 457 HA ASN 64 HA ASN 64 -3.856 16.018 2.996 458 HB2 ASN 64 1HB ASN 64 -5.465 17.673 3.744 459 HB3 ASN 64 2HB ASN 64 -5.058 17.356 5.428 460 HD21 ASN 64 1HD2 ASN 64 -4.884 19.843 4.940 461 HD22 ASN 64 2HD2 ASN 64 -3.272 20.392 4.648 462 H LEU 65 H LEU 65 -2.174 14.558 3.397 463 HA LEU 65 HA LEU 65 -1.037 14.482 6.085 464 HB2 LEU 65 1HB LEU 65 -0.134 13.022 3.609 465 HB3 LEU 65 2HB LEU 65 0.369 12.706 5.269 466 HG LEU 65 HG LEU 65 -2.416 12.282 4.188 467 HD11 LEU 65 1HD1 LEU 65 -0.099 10.422 4.607 468 HD12 LEU 65 2HD1 LEU 65 -1.097 10.639 3.169 469 HD13 LEU 65 3HD1 LEU 65 -1.767 9.849 4.596 470 HD21 LEU 65 1HD2 LEU 65 -3.073 12.035 6.291 471 HD22 LEU 65 2HD2 LEU 65 -1.483 12.582 6.825 472 HD23 LEU 65 3HD2 LEU 65 -1.791 10.861 6.591 473 H THR 66 H THR 66 0.254 16.130 6.576 474 HA THR 66 HA THR 66 1.659 17.672 4.640 475 HB THR 66 HB THR 66 2.753 18.744 6.610 476 HG1 THR 66 1HG THR 66 1.047 17.249 8.281 477 HG21 THR 66 1HG2 THR 66 0.804 19.842 6.003 478 HG22 THR 66 2HG2 THR 66 0.486 19.444 7.692 479 HG23 THR 66 3HG2 THR 66 -0.220 18.465 6.406 480 H GLU 67 H GLU 67 4.094 18.112 5.035 481 HA GLU 67 HA GLU 67 5.605 16.038 4.135 482 HB2 GLU 67 1HB GLU 67 6.461 18.311 5.930 483 HB3 GLU 67 2HB GLU 67 7.587 17.233 5.117 484 HG2 GLU 67 1HG GLU 67 7.553 18.931 3.618 485 HG3 GLU 67 2HG GLU 67 6.212 17.974 2.990 486 H ASP 68 H ASP 68 4.926 16.837 7.508 487 HA ASP 68 HA ASP 68 6.601 14.773 8.570 488 HB2 ASP 68 1HB ASP 68 4.635 16.720 9.683 489 HB3 ASP 68 2HB ASP 68 5.045 15.310 10.656 490 H ASP 69 H ASP 69 3.076 15.171 8.264 491 HA ASP 69 HA ASP 69 2.207 12.817 9.359 492 HB2 ASP 69 1HB ASP 69 1.131 14.185 6.883 493 HB3 ASP 69 2HB ASP 69 0.270 12.965 7.817 494 H LYS 70 H LYS 70 2.710 13.236 5.851 495 HA LYS 70 HA LYS 70 2.422 10.762 4.897 496 HB2 LYS 70 1HB LYS 70 4.537 12.799 4.274 497 HB3 LYS 70 2HB LYS 70 4.518 11.254 3.433 498 HG2 LYS 70 1HG LYS 70 2.317 11.694 2.570 499 HG3 LYS 70 2HG LYS 70 2.205 13.179 3.517 500 HD2 LYS 70 1HD LYS 70 4.107 14.103 2.261 501 HD3 LYS 70 2HD LYS 70 4.175 12.626 1.297 502 HE2 LYS 70 1HE LYS 70 1.860 13.064 0.542 503 HE3 LYS 70 2HE LYS 70 1.883 14.583 1.437 504 HZ1 LYS 70 1HZ LYS 70 4.132 14.685 -0.094 505 HZ2 LYS 70 2HZ LYS 70 2.672 15.472 -0.426 506 HZ3 LYS 70 3HZ LYS 70 2.999 13.966 -1.125 507 H HIS 71 H HIS 71 5.481 11.865 6.359 508 HA HIS 71 HA HIS 71 6.872 9.470 6.221 509 HB2 HIS 71 1HB HIS 71 7.025 11.874 7.979 510 HB3 HIS 71 2HB HIS 71 7.934 10.443 8.457 511 HD1 HIS 71 1HD HIS 71 10.132 10.075 7.326 512 HD2 HIS 71 2HD HIS 71 7.794 12.891 5.361 513 HE1 HIS 71 1HE HIS 71 11.612 11.051 5.543 514 HE2 HIS 71 2HE HIS 71 10.203 12.813 4.423 515 H ASN 72 H ASN 72 4.767 10.668 8.820 516 HA ASN 72 HA ASN 72 5.097 8.596 10.633 517 HB2 ASN 72 1HB ASN 72 2.631 10.247 10.048 518 HB3 ASN 72 2HB ASN 72 2.820 9.211 11.460 519 HD21 ASN 72 1HD2 ASN 72 2.338 11.983 11.534 520 HD22 ASN 72 2HD2 ASN 72 3.707 12.743 12.265 521 H ASN 73 H ASN 73 2.638 8.893 8.072 522 HA ASN 73 HA ASN 73 1.322 6.489 8.486 523 HB2 ASN 73 1HB ASN 73 1.845 7.925 5.874 524 HB3 ASN 73 2HB ASN 73 0.660 6.641 6.095 525 HD21 ASN 73 1HD2 ASN 73 -1.317 7.373 6.269 526 HD22 ASN 73 2HD2 ASN 73 -1.800 8.853 7.019 527 H ALA 74 H ALA 74 4.063 7.135 6.306 528 HA ALA 74 HA ALA 74 4.377 4.526 5.350 529 HB1 ALA 74 1HB ALA 74 6.933 5.741 5.501 530 HB2 ALA 74 2HB ALA 74 5.876 5.575 4.098 531 HB3 ALA 74 3HB ALA 74 5.755 7.000 5.130 532 H LYS 75 H LYS 75 6.227 6.166 7.926 533 HA LYS 75 HA LYS 75 7.884 4.226 8.784 534 HB2 LYS 75 1HB LYS 75 6.325 6.304 10.247 535 HB3 LYS 75 2HB LYS 75 7.181 5.095 11.196 536 HG2 LYS 75 1HG LYS 75 9.266 5.707 10.008 537 HG3 LYS 75 2HG LYS 75 8.378 6.996 9.191 538 HD2 LYS 75 1HD LYS 75 8.527 6.755 12.189 539 HD3 LYS 75 2HD LYS 75 9.697 7.676 11.241 540 HE2 LYS 75 1HE LYS 75 7.550 8.791 10.242 541 HE3 LYS 75 2HE LYS 75 6.799 8.206 11.726 542 HZ1 LYS 75 1HZ LYS 75 7.574 10.417 12.084 543 HZ2 LYS 75 2HZ LYS 75 9.119 10.043 11.506 544 HZ3 LYS 75 3HZ LYS 75 8.578 9.376 12.963 545 H TYR 76 H TYR 76 4.515 4.534 9.912 546 HA TYR 76 HA TYR 76 4.391 2.313 11.536 547 HB2 TYR 76 1HB TYR 76 2.600 4.081 11.135 548 HB3 TYR 76 2HB TYR 76 2.126 3.142 9.724 549 HD1 TYR 76 1HD TYR 76 2.850 2.561 13.350 550 HD2 TYR 76 2HD TYR 76 0.376 1.674 10.004 551 HE1 TYR 76 1HE TYR 76 1.439 1.140 14.778 552 HE2 TYR 76 2HE TYR 76 -1.043 0.252 11.423 553 HH TYR 76 HH TYR 76 -1.298 -0.672 13.433 554 H ALA 77 H ALA 77 3.476 2.440 8.091 555 HA ALA 77 HA ALA 77 2.908 -0.237 7.711 556 HB1 ALA 77 1HB ALA 77 2.341 1.123 5.928 557 HB2 ALA 77 2HB ALA 77 3.924 1.900 5.884 558 HB3 ALA 77 3HB ALA 77 3.738 0.246 5.302 559 H VAL 78 H VAL 78 6.043 1.402 7.327 560 HA VAL 78 HA VAL 78 7.578 -0.719 6.460 561 HB VAL 78 HB VAL 78 8.441 1.437 8.393 562 HG11 VAL 78 1HG1 VAL 78 10.087 -0.250 6.511 563 HG12 VAL 78 2HG1 VAL 78 10.689 1.015 7.584 564 HG13 VAL 78 3HG1 VAL 78 10.000 -0.462 8.259 565 HG21 VAL 78 1HG2 VAL 78 8.741 1.428 5.399 566 HG22 VAL 78 2HG2 VAL 78 7.381 2.189 6.224 567 HG23 VAL 78 3HG2 VAL 78 9.023 2.762 6.518 568 H SER 79 H SER 79 6.661 0.128 9.770 569 HA SER 79 HA SER 79 8.215 -1.926 10.993 570 HB2 SER 79 1HB SER 79 5.826 -0.429 12.099 571 HB3 SER 79 2HB SER 79 6.996 -1.359 13.036 572 HG SER 79 HG SER 79 8.363 0.243 12.916 573 H MET 80 H MET 80 5.190 -1.860 9.395 574 HA MET 80 HA MET 80 4.187 -4.260 10.681 575 HB2 MET 80 1HB MET 80 3.119 -2.599 8.395 576 HB3 MET 80 2HB MET 80 2.309 -4.017 9.045 577 HG2 MET 80 1HG MET 80 2.844 -1.407 10.430 578 HG3 MET 80 2HG MET 80 1.286 -2.105 9.997 579 HE1 MET 80 1HE MET 80 0.643 -4.438 10.710 580 HE2 MET 80 2HE MET 80 0.807 -5.008 12.370 581 HE3 MET 80 3HE MET 80 -0.138 -3.559 12.025 582 H ALA 81 H ALA 81 4.830 -3.361 7.285 583 HA ALA 81 HA ALA 81 4.665 -5.688 5.988 584 HB1 ALA 81 1HB ALA 81 6.993 -4.849 4.897 585 HB2 ALA 81 2HB ALA 81 5.415 -4.155 4.523 586 HB3 ALA 81 3HB ALA 81 6.461 -3.377 5.710 587 H ARG 82 H ARG 82 7.273 -4.827 8.197 588 HA ARG 82 HA ARG 82 8.700 -7.296 7.701 589 HB2 ARG 82 1HB ARG 82 10.255 -6.479 9.427 590 HB3 ARG 82 2HB ARG 82 9.974 -5.277 8.174 591 HG2 ARG 82 1HG ARG 82 8.273 -4.238 9.718 592 HG3 ARG 82 2HG ARG 82 8.885 -5.317 10.973 593 HD2 ARG 82 1HD ARG 82 11.193 -4.368 10.395 594 HD3 ARG 82 2HD ARG 82 10.316 -3.102 9.537 595 HE ARG 82 HE ARG 82 9.282 -3.330 12.137 596 HH11 ARG 82 2HH1 ARG 82 12.160 -2.289 10.478 597 HH12 ARG 82 1HH1 ARG 82 12.595 -1.128 11.689 598 HH21 ARG 82 2HH2 ARG 82 9.843 -1.805 13.737 599 HH22 ARG 82 1HH2 ARG 82 11.277 -0.854 13.542 600 H ARG 83 H ARG 83 6.954 -5.824 10.431 601 HA ARG 83 HA ARG 83 7.215 -7.772 12.330 602 HB2 ARG 83 1HB ARG 83 6.051 -5.716 12.810 603 HB3 ARG 83 2HB ARG 83 4.777 -6.118 11.666 604 HG2 ARG 83 1HG ARG 83 4.402 -8.183 13.176 605 HG3 ARG 83 2HG ARG 83 5.311 -7.259 14.373 606 HD2 ARG 83 1HD ARG 83 3.683 -5.654 14.571 607 HD3 ARG 83 2HD ARG 83 3.070 -5.924 12.939 608 HE ARG 83 HE ARG 83 1.626 -7.479 13.785 609 HH11 ARG 83 2HH1 ARG 83 4.147 -6.896 16.115 610 HH12 ARG 83 1HH1 ARG 83 3.402 -7.851 17.354 611 HH21 ARG 83 2HH2 ARG 83 0.636 -8.738 15.408 612 HH22 ARG 83 1HH2 ARG 83 1.405 -8.899 16.951 613 H ILE 84 H ILE 84 5.344 -7.892 9.402 614 HA ILE 84 HA ILE 84 3.886 -10.265 10.193 615 HB ILE 84 HB ILE 84 3.042 -10.231 7.845 616 HG12 ILE 84 1HG1 ILE 84 4.606 -7.647 7.665 617 HG13 ILE 84 2HG1 ILE 84 5.038 -9.145 6.847 618 HG21 ILE 84 1HG2 ILE 84 2.534 -8.393 9.961 619 HG22 ILE 84 2HG2 ILE 84 2.318 -7.561 8.422 620 HG23 ILE 84 3HG2 ILE 84 1.413 -9.036 8.761 621 HD11 ILE 84 1HD1 ILE 84 3.014 -9.052 5.538 622 HD12 ILE 84 2HD1 ILE 84 2.488 -7.611 6.409 623 HD13 ILE 84 3HD1 ILE 84 3.913 -7.544 5.372 624 H GLY 85 H GLY 85 6.738 -9.438 8.353 625 HA2 GLY 85 1HA GLY 85 8.279 -11.528 8.485 626 HA3 GLY 85 2HA GLY 85 7.026 -12.225 7.469 627 H ALA 86 H ALA 86 6.431 -10.169 5.767 628 HA ALA 86 HA ALA 86 8.079 -10.387 3.669 629 HB1 ALA 86 1HB ALA 86 5.918 -8.905 4.092 630 HB2 ALA 86 2HB ALA 86 7.125 -7.620 4.147 631 HB3 ALA 86 3HB ALA 86 6.986 -8.636 2.713 632 H ARG 87 H ARG 87 10.259 -10.511 4.042 633 HA ARG 87 HA ARG 87 11.718 -8.621 5.576 634 HB2 ARG 87 1HB ARG 87 13.717 -9.694 4.574 635 HB3 ARG 87 2HB ARG 87 12.585 -10.855 5.255 636 HG2 ARG 87 1HG ARG 87 11.676 -10.951 2.803 637 HG3 ARG 87 2HG ARG 87 13.279 -10.326 2.410 638 HD2 ARG 87 1HD ARG 87 13.561 -12.629 2.283 639 HD3 ARG 87 2HD ARG 87 14.148 -12.241 3.900 640 HE ARG 87 HE ARG 87 11.591 -12.846 4.387 641 HH11 ARG 87 2HH1 ARG 87 14.020 -14.471 2.496 642 HH12 ARG 87 1HH1 ARG 87 13.369 -16.052 2.778 643 HH21 ARG 87 2HH2 ARG 87 10.724 -14.921 4.766 644 HH22 ARG 87 1HH2 ARG 87 11.493 -16.306 4.069 645 H VAL 88 H VAL 88 10.809 -6.660 4.592 646 HA VAL 88 HA VAL 88 11.738 -5.998 1.917 647 HB VAL 88 HB VAL 88 10.538 -3.872 2.241 648 HG11 VAL 88 1HG1 VAL 88 9.356 -6.515 2.301 649 HG12 VAL 88 2HG1 VAL 88 8.280 -5.297 2.989 650 HG13 VAL 88 3HG1 VAL 88 8.905 -5.099 1.352 651 HG21 VAL 88 1HG2 VAL 88 10.484 -3.187 4.389 652 HG22 VAL 88 2HG2 VAL 88 8.978 -4.102 4.433 653 HG23 VAL 88 3HG2 VAL 88 10.470 -4.831 5.026 654 H TYR 89 H TYR 89 12.405 -5.156 5.263 655 HA TYR 89 HA TYR 89 13.943 -3.750 6.217 656 HB2 TYR 89 1HB TYR 89 16.270 -4.119 5.284 657 HB3 TYR 89 2HB TYR 89 15.400 -5.574 5.758 658 HD1 TYR 89 2HD TYR 89 14.417 -7.046 4.004 659 HD2 TYR 89 1HD TYR 89 16.942 -3.763 3.029 660 HE1 TYR 89 2HE TYR 89 14.779 -7.997 1.765 661 HE2 TYR 89 1HE TYR 89 17.310 -4.704 0.787 662 HH TYR 89 HH TYR 89 15.680 -6.511 -0.740 663 H ALA 90 H ALA 90 12.329 -2.567 4.060 664 HA ALA 90 HA ALA 90 14.113 -0.754 2.676 665 HB1 ALA 90 1HB ALA 90 11.926 -1.744 1.762 666 HB2 ALA 90 2HB ALA 90 11.126 -0.509 2.735 667 HB3 ALA 90 3HB ALA 90 12.255 -0.037 1.465 668 H LEU 91 H LEU 91 14.158 1.500 2.942 669 HA LEU 91 HA LEU 91 13.779 2.364 5.668 670 HB2 LEU 91 1HB LEU 91 14.821 3.777 3.220 671 HB3 LEU 91 2HB LEU 91 14.747 4.507 4.823 672 HG LEU 91 HG LEU 91 16.369 2.062 4.117 673 HD11 LEU 91 1HD1 LEU 91 17.015 4.358 3.106 674 HD12 LEU 91 2HD1 LEU 91 18.249 3.391 3.913 675 HD13 LEU 91 3HD1 LEU 91 17.506 4.752 4.754 676 HD21 LEU 91 1HD2 LEU 91 16.008 3.678 6.618 677 HD22 LEU 91 2HD2 LEU 91 17.474 2.740 6.331 678 HD23 LEU 91 3HD2 LEU 91 15.908 1.931 6.401 679 HA PRO 92 HA PRO 92 9.876 4.334 5.234 680 HB2 PRO 92 1HB PRO 92 10.133 6.331 7.055 681 HB3 PRO 92 2HB PRO 92 9.926 4.636 7.511 682 HG2 PRO 92 1HG PRO 92 12.432 6.267 7.372 683 HG3 PRO 92 2HG PRO 92 11.916 5.112 8.615 684 HD2 PRO 92 1HD PRO 92 13.706 4.474 6.686 685 HD3 PRO 92 2HD PRO 92 12.578 3.287 7.373 686 H GLU 93 H GLU 93 12.817 5.991 4.580 687 HA GLU 93 HA GLU 93 11.651 8.481 3.774 688 HB2 GLU 93 1HB GLU 93 14.374 7.289 3.226 689 HB3 GLU 93 2HB GLU 93 13.903 8.930 2.809 690 HG2 GLU 93 1HG GLU 93 13.330 9.118 5.339 691 HG3 GLU 93 2HG GLU 93 14.402 7.728 5.490 692 H ASP 94 H ASP 94 12.751 5.560 2.116 693 HA ASP 94 HA ASP 94 12.540 6.398 -0.518 694 HB2 ASP 94 1HB ASP 94 12.020 3.690 0.717 695 HB3 ASP 94 2HB ASP 94 12.064 3.966 -1.022 696 H LEU 95 H LEU 95 10.028 5.082 1.609 697 HA LEU 95 HA LEU 95 7.965 5.026 -0.305 698 HB2 LEU 95 1HB LEU 95 7.770 5.370 2.683 699 HB3 LEU 95 2HB LEU 95 6.445 4.920 1.612 700 HG LEU 95 HG LEU 95 8.918 3.233 1.909 701 HD11 LEU 95 1HD1 LEU 95 8.252 2.981 4.050 702 HD12 LEU 95 2HD1 LEU 95 7.080 1.882 3.322 703 HD13 LEU 95 3HD1 LEU 95 6.610 3.535 3.721 704 HD21 LEU 95 1HD2 LEU 95 7.925 2.233 0.172 705 HD22 LEU 95 2HD2 LEU 95 6.400 3.078 0.436 706 HD23 LEU 95 3HD2 LEU 95 6.774 1.623 1.361 707 H VAL 96 H VAL 96 8.932 7.499 2.045 708 HA VAL 96 HA VAL 96 6.878 9.325 1.633 709 HB VAL 96 HB VAL 96 9.773 9.795 2.339 710 HG11 VAL 96 1HG1 VAL 96 7.643 11.703 1.712 711 HG12 VAL 96 2HG1 VAL 96 8.430 11.981 3.267 712 HG13 VAL 96 3HG1 VAL 96 9.390 11.934 1.787 713 HG21 VAL 96 1HG2 VAL 96 9.143 9.687 4.538 714 HG22 VAL 96 2HG2 VAL 96 7.484 10.186 4.204 715 HG23 VAL 96 3HG2 VAL 96 8.002 8.541 3.835 716 H GLU 97 H GLU 97 10.073 9.239 0.048 717 HA GLU 97 HA GLU 97 9.298 11.267 -1.846 718 HB2 GLU 97 1HB GLU 97 11.759 9.516 -1.706 719 HB3 GLU 97 2HB GLU 97 11.535 10.845 -2.835 720 HG2 GLU 97 1HG GLU 97 11.237 11.405 0.064 721 HG3 GLU 97 2HG GLU 97 12.858 11.143 -0.578 722 H VAL 98 H VAL 98 8.528 8.099 -1.589 723 HA VAL 98 HA VAL 98 7.796 6.474 -3.012 724 HB VAL 98 HB VAL 98 7.294 8.770 -4.908 725 HG11 VAL 98 1HG1 VAL 98 6.257 7.302 -6.217 726 HG12 VAL 98 2HG1 VAL 98 6.919 6.018 -5.204 727 HG13 VAL 98 3HG1 VAL 98 5.318 6.674 -4.862 728 HG21 VAL 98 1HG2 VAL 98 6.390 8.772 -2.397 729 HG22 VAL 98 2HG2 VAL 98 5.439 9.383 -3.749 730 HG23 VAL 98 3HG2 VAL 98 5.151 7.756 -3.133 731 H LYS 99 H LYS 99 10.495 6.594 -3.043 732 HA LYS 99 HA LYS 99 11.583 6.911 -5.665 733 HB2 LYS 99 1HB LYS 99 12.707 5.479 -3.250 734 HB3 LYS 99 2HB LYS 99 13.609 5.880 -4.705 735 HG2 LYS 99 1HG LYS 99 13.320 8.244 -4.270 736 HG3 LYS 99 2HG LYS 99 12.331 7.883 -2.853 737 HD2 LYS 99 1HD LYS 99 14.421 6.522 -2.089 738 HD3 LYS 99 2HD LYS 99 15.274 7.538 -3.253 739 HE2 LYS 99 1HE LYS 99 14.020 9.478 -2.030 740 HE3 LYS 99 2HE LYS 99 13.878 8.301 -0.725 741 HZ1 LYS 99 1HZ LYS 99 16.524 8.538 -1.869 742 HZ2 LYS 99 2HZ LYS 99 16.048 8.447 -0.248 743 HZ3 LYS 99 3HZ LYS 99 15.977 9.925 -1.068 744 HA PRO 100 HA PRO 100 10.114 2.993 -7.201 745 HB2 PRO 100 1HB PRO 100 11.284 3.201 -9.642 746 HB3 PRO 100 2HB PRO 100 9.808 4.070 -9.207 747 HG2 PRO 100 1HG PRO 100 12.636 5.050 -9.263 748 HG3 PRO 100 2HG PRO 100 11.161 5.856 -9.830 749 HD2 PRO 100 1HD PRO 100 12.318 6.440 -7.452 750 HD3 PRO 100 2HD PRO 100 10.564 6.531 -7.708 751 H LYS 101 H LYS 101 13.230 3.893 -6.365 752 HA LYS 101 HA LYS 101 14.654 1.659 -7.464 753 HB2 LYS 101 1HB LYS 101 15.472 3.468 -5.185 754 HB3 LYS 101 2HB LYS 101 16.528 2.438 -6.142 755 HG2 LYS 101 1HG LYS 101 14.939 4.712 -7.302 756 HG3 LYS 101 2HG LYS 101 16.595 4.874 -6.714 757 HD2 LYS 101 1HD LYS 101 17.022 4.451 -8.915 758 HD3 LYS 101 2HD LYS 101 16.972 2.793 -8.311 759 HE2 LYS 101 1HE LYS 101 14.396 3.064 -8.864 760 HE3 LYS 101 2HE LYS 101 15.014 4.273 -9.990 761 HZ1 LYS 101 1HZ LYS 101 15.145 2.454 -11.306 762 HZ2 LYS 101 2HZ LYS 101 15.331 1.373 -10.018 763 HZ3 LYS 101 3HZ LYS 101 16.649 2.290 -10.549 764 H MET 102 H MET 102 13.498 2.527 -4.211 765 HA MET 102 HA MET 102 14.061 -0.193 -3.298 766 HB2 MET 102 1HB MET 102 14.839 1.452 -1.775 767 HB3 MET 102 2HB MET 102 13.332 2.353 -1.861 768 HG2 MET 102 1HG MET 102 13.146 1.319 0.176 769 HG3 MET 102 2HG MET 102 12.284 0.198 -0.875 770 HE1 MET 102 1HE MET 102 16.324 0.585 0.188 771 HE2 MET 102 2HE MET 102 15.065 1.024 1.343 772 HE3 MET 102 3HE MET 102 16.000 -0.454 1.576 773 H VAL 103 H VAL 103 11.363 2.119 -3.439 774 HA VAL 103 HA VAL 103 9.336 0.638 -2.349 775 HB VAL 103 HB VAL 103 9.184 2.440 -4.768 776 HG11 VAL 103 1HG1 VAL 103 6.741 2.633 -3.777 777 HG12 VAL 103 2HG1 VAL 103 7.167 1.382 -4.946 778 HG13 VAL 103 3HG1 VAL 103 7.093 0.996 -3.227 779 HG21 VAL 103 1HG2 VAL 103 8.347 4.086 -3.104 780 HG22 VAL 103 2HG2 VAL 103 8.742 2.936 -1.827 781 HG23 VAL 103 3HG2 VAL 103 10.022 3.603 -2.839 782 H MET 104 H MET 104 11.070 -0.021 -5.231 783 HA MET 104 HA MET 104 9.101 -1.560 -6.583 784 HB2 MET 104 1HB MET 104 11.027 -0.647 -7.765 785 HB3 MET 104 2HB MET 104 12.117 -1.616 -6.782 786 HG2 MET 104 1HG MET 104 10.011 -3.012 -8.342 787 HG3 MET 104 2HG MET 104 11.401 -2.355 -9.203 788 HE1 MET 104 1HE MET 104 10.899 -6.245 -7.974 789 HE2 MET 104 2HE MET 104 10.716 -5.560 -6.359 790 HE3 MET 104 3HE MET 104 9.766 -4.921 -7.702 791 H THR 105 H THR 105 11.709 -2.366 -4.332 792 HA THR 105 HA THR 105 11.081 -5.189 -4.417 793 HB THR 105 HB THR 105 13.418 -4.382 -4.114 794 HG1 THR 105 1HG THR 105 12.125 -6.144 -2.363 795 HG21 THR 105 1HG2 THR 105 12.213 -3.251 -1.628 796 HG22 THR 105 2HG2 THR 105 13.401 -2.545 -2.724 797 HG23 THR 105 3HG2 THR 105 13.885 -3.809 -1.594 798 H VAL 106 H VAL 106 10.197 -2.431 -2.548 799 HA VAL 106 HA VAL 106 9.523 -3.591 -0.103 800 HB VAL 106 HB VAL 106 8.323 -1.243 -1.562 801 HG11 VAL 106 1HG1 VAL 106 6.549 -1.547 -0.205 802 HG12 VAL 106 2HG1 VAL 106 7.443 -2.589 0.905 803 HG13 VAL 106 3HG1 VAL 106 7.609 -0.835 1.011 804 HG21 VAL 106 1HG2 VAL 106 9.555 0.055 0.116 805 HG22 VAL 106 2HG2 VAL 106 10.183 -1.442 0.807 806 HG23 VAL 106 3HG2 VAL 106 10.631 -0.972 -0.833 807 H PHE 107 H PHE 107 7.681 -3.348 -3.108 808 HA PHE 107 HA PHE 107 5.334 -4.567 -1.969 809 HB2 PHE 107 1HB PHE 107 6.130 -3.619 -4.696 810 HB3 PHE 107 2HB PHE 107 4.743 -4.690 -4.526 811 HD1 PHE 107 1HD PHE 107 2.976 -3.962 -2.746 812 HD2 PHE 107 2HD PHE 107 5.822 -1.345 -4.526 813 HE1 PHE 107 1HE PHE 107 1.556 -2.035 -2.175 814 HE2 PHE 107 2HE PHE 107 4.408 0.586 -3.958 815 HZ PHE 107 HZ PHE 107 2.272 0.243 -2.780 816 H ALA 108 H ALA 108 7.928 -5.562 -4.168 817 HA ALA 108 HA ALA 108 7.014 -8.099 -4.827 818 HB1 ALA 108 1HB ALA 108 8.840 -7.703 -6.073 819 HB2 ALA 108 2HB ALA 108 9.611 -6.730 -4.820 820 HB3 ALA 108 3HB ALA 108 9.694 -8.490 -4.746 821 H CYS 109 H CYS 109 8.833 -7.026 -1.993 822 HA CYS 109 HA CYS 109 9.338 -9.572 -0.906 823 HB2 CYS 109 1HB CYS 109 9.174 -6.818 0.299 824 HB3 CYS 109 2HB CYS 109 9.494 -8.235 1.290 825 HG CYS 109 HG CYS 109 11.718 -8.858 -0.622 826 H LEU 110 H LEU 110 6.673 -7.289 -0.420 827 HA LEU 110 HA LEU 110 5.329 -8.710 1.589 828 HB2 LEU 110 1HB LEU 110 4.325 -6.812 -0.519 829 HB3 LEU 110 2HB LEU 110 3.307 -7.455 0.769 830 HG LEU 110 HG LEU 110 5.815 -5.908 1.355 831 HD11 LEU 110 1HD1 LEU 110 4.520 -4.435 -0.009 832 HD12 LEU 110 2HD1 LEU 110 4.319 -3.941 1.671 833 HD13 LEU 110 3HD1 LEU 110 3.041 -4.846 0.860 834 HD21 LEU 110 1HD2 LEU 110 5.197 -6.803 3.346 835 HD22 LEU 110 2HD2 LEU 110 3.505 -6.966 2.876 836 HD23 LEU 110 3HD2 LEU 110 4.138 -5.393 3.362 837 H MET 111 H MET 111 5.044 -8.838 -1.941 838 HA MET 111 HA MET 111 2.879 -10.601 -2.095 839 HB2 MET 111 1HB MET 111 3.737 -9.349 -4.023 840 HB3 MET 111 2HB MET 111 5.210 -10.308 -3.998 841 HG2 MET 111 1HG MET 111 3.548 -12.313 -4.235 842 HG3 MET 111 2HG MET 111 2.465 -11.068 -4.855 843 HE1 MET 111 1HE MET 111 3.555 -10.328 -8.280 844 HE2 MET 111 2HE MET 111 2.377 -10.216 -6.973 845 HE3 MET 111 3HE MET 111 3.822 -9.204 -6.947 846 H GLY 112 H GLY 112 6.357 -11.227 -1.854 847 HA2 GLY 112 1HA GLY 112 6.629 -13.858 -2.333 848 HA3 GLY 112 2HA GLY 112 7.412 -13.089 -0.961 849 H ARG 113 H ARG 113 6.018 -12.886 1.032 850 HA ARG 113 HA ARG 113 5.165 -15.437 1.836 851 HB2 ARG 113 1HB ARG 113 5.054 -12.699 3.011 852 HB3 ARG 113 2HB ARG 113 4.053 -13.950 3.737 853 HG2 ARG 113 1HG ARG 113 6.308 -15.307 3.695 854 HG3 ARG 113 2HG ARG 113 7.010 -13.689 3.660 855 HD2 ARG 113 1HD ARG 113 5.940 -13.096 5.703 856 HD3 ARG 113 2HD ARG 113 4.955 -14.558 5.680 857 HE ARG 113 HE ARG 113 7.728 -15.179 5.714 858 HH11 ARG 113 2HH1 ARG 113 5.095 -14.119 7.730 859 HH12 ARG 113 1HH1 ARG 113 5.778 -14.763 9.186 860 HH21 ARG 113 2HH2 ARG 113 8.638 -16.032 7.624 861 HH22 ARG 113 1HH2 ARG 113 7.794 -15.850 9.125 862 H GLY 114 H GLY 114 3.354 -12.579 0.795 863 HA2 GLY 114 1HA GLY 114 0.781 -13.187 1.392 864 HA3 GLY 114 2HA GLY 114 1.243 -12.460 -0.140 865 H MET 115 H MET 115 2.392 -14.336 -1.579 866 HA MET 115 HA MET 115 0.310 -15.938 -2.493 867 HB2 MET 115 1HB MET 115 3.282 -16.366 -2.848 868 HB3 MET 115 2HB MET 115 2.022 -17.117 -3.818 869 HG2 MET 115 1HG MET 115 1.296 -14.815 -4.486 870 HG3 MET 115 2HG MET 115 2.741 -14.203 -3.685 871 HE1 MET 115 1HE MET 115 1.825 -15.984 -7.478 872 HE2 MET 115 2HE MET 115 2.695 -17.376 -6.832 873 HE3 MET 115 3HE MET 115 1.321 -16.707 -5.950 874 H LYS 116 H LYS 116 3.097 -16.833 -0.473 875 HA LYS 116 HA LYS 116 2.145 -19.523 -0.107 876 HB2 LYS 116 1HB LYS 116 4.600 -18.532 -0.026 877 HB3 LYS 116 2HB LYS 116 4.214 -18.315 1.676 878 HG2 LYS 116 1HG LYS 116 3.999 -20.937 0.213 879 HG3 LYS 116 2HG LYS 116 5.399 -20.432 1.164 880 HD2 LYS 116 1HD LYS 116 2.616 -20.552 2.305 881 HD3 LYS 116 2HD LYS 116 3.717 -21.932 2.332 882 HE2 LYS 116 1HE LYS 116 5.346 -20.618 3.583 883 HE3 LYS 116 2HE LYS 116 4.275 -19.218 3.528 884 HZ1 LYS 116 1HZ LYS 116 2.686 -21.117 4.581 885 HZ2 LYS 116 2HZ LYS 116 3.556 -19.982 5.484 886 HZ3 LYS 116 3HZ LYS 116 4.186 -21.534 5.243 887 H ARG 117 H ARG 117 0.119 -19.376 0.843 888 HA ARG 117 HA ARG 117 0.155 -18.597 3.674 889 HB2 ARG 117 1HB ARG 117 -2.042 -17.581 3.487 890 HB3 ARG 117 2HB ARG 117 -0.925 -16.793 2.382 891 HG2 ARG 117 1HG ARG 117 -2.933 -17.052 1.193 892 HG3 ARG 117 2HG ARG 117 -1.850 -18.303 0.578 893 HD2 ARG 117 1HD ARG 117 -3.040 -20.002 1.544 894 HD3 ARG 117 2HD ARG 117 -3.636 -18.984 2.854 895 HE ARG 117 HE ARG 117 -4.978 -19.547 0.452 896 HH11 ARG 117 2HH1 ARG 117 -4.276 -16.877 2.573 897 HH12 ARG 117 1HH1 ARG 117 -5.713 -16.001 2.159 898 HH21 ARG 117 2HH2 ARG 117 -6.873 -18.404 -0.101 899 HH22 ARG 117 1HH2 ARG 117 -7.189 -16.872 0.639 900 H VAL 118 H VAL 118 -1.709 -19.537 4.889 901 HA VAL 118 HA VAL 118 -2.284 -22.239 3.870 902 HB VAL 118 HB VAL 118 -2.237 -21.243 6.723 903 HG11 VAL 118 1HG1 VAL 118 -2.195 -24.018 6.715 904 HG12 VAL 118 2HG1 VAL 118 -3.554 -22.985 7.161 905 HG13 VAL 118 3HG1 VAL 118 -3.412 -23.594 5.511 906 HG21 VAL 118 1HG2 VAL 118 -0.118 -21.928 5.082 907 HG22 VAL 118 2HG2 VAL 118 -0.099 -21.869 6.845 908 HG23 VAL 118 3HG2 VAL 118 -0.420 -23.393 6.017 909 H SER 119 H SER 119 -4.276 -22.525 3.141 910 HA SER 119 HA SER 119 -6.458 -20.944 4.332 911 HB2 SER 119 1HB SER 119 -7.669 -21.391 2.180 912 HB3 SER 119 2HB SER 119 -6.206 -20.425 1.990 913 HG SER 119 HG SER 119 -5.259 -22.029 0.954 914 H GLY 120 H GLY 120 -5.742 -24.129 2.905 915 HA2 GLY 120 1HA GLY 120 -6.329 -26.207 3.822 916 HA3 GLY 120 2HA GLY 120 -7.395 -25.383 4.950 917 HA PRO 121 HA PRO 121 -9.816 -25.662 0.767 918 HB2 PRO 121 1HB PRO 121 -8.710 -27.211 -1.168 919 HB3 PRO 121 2HB PRO 121 -8.387 -25.480 -1.023 920 HG2 PRO 121 1HG PRO 121 -6.732 -27.799 -0.105 921 HG3 PRO 121 2HG PRO 121 -6.216 -26.307 -0.914 922 HD2 PRO 121 1HD PRO 121 -5.970 -26.675 1.757 923 HD3 PRO 121 2HD PRO 121 -6.272 -25.081 1.037 924 H SER 122 H SER 122 -8.302 -28.135 2.505 925 HA SER 122 HA SER 122 -10.202 -30.176 1.599 926 HB2 SER 122 1HB SER 122 -7.769 -30.751 1.754 927 HB3 SER 122 2HB SER 122 -7.867 -30.498 3.497 928 HG SER 122 HG SER 122 -8.589 -32.652 2.042 929 H SER 123 H SER 123 -11.347 -31.455 3.198 930 HA SER 123 HA SER 123 -11.882 -29.974 5.688 931 HB2 SER 123 1HB SER 123 -14.230 -30.451 5.495 932 HB3 SER 123 2HB SER 123 -13.706 -29.747 3.965 933 HG SER 123 HG SER 123 -13.418 -32.423 3.913 934 H GLY 124 H GLY 124 -13.064 -31.402 7.321 935 HA2 GLY 124 1HA GLY 124 -13.277 -33.391 8.497 936 HA3 GLY 124 2HA GLY 124 -12.575 -34.240 7.128 Start of MODEL 19 1 H1 GLY 1 H GLY 1 4.452 -25.118 -18.318 2 HA2 GLY 1 1HA GLY 1 3.894 -27.152 -17.194 3 HA3 GLY 1 2HA GLY 1 5.636 -27.213 -17.419 4 H SER 2 H SER 2 7.005 -26.892 -15.662 5 HA SER 2 HA SER 2 5.728 -27.348 -13.077 6 HB2 SER 2 1HB SER 2 7.481 -28.901 -13.585 7 HB3 SER 2 2HB SER 2 8.591 -27.600 -14.014 8 HG SER 2 HG SER 2 9.187 -27.773 -12.004 9 H SER 3 H SER 3 8.169 -25.203 -14.521 10 HA SER 3 HA SER 3 8.432 -23.561 -12.217 11 HB2 SER 3 1HB SER 3 10.131 -23.785 -14.072 12 HB3 SER 3 2HB SER 3 9.072 -22.787 -15.069 13 HG SER 3 HG SER 3 10.777 -22.058 -13.073 14 H GLY 4 H GLY 4 7.558 -21.558 -11.751 15 HA2 GLY 4 1HA GLY 4 5.762 -20.221 -13.544 16 HA3 GLY 4 2HA GLY 4 4.912 -21.071 -12.262 17 H SER 5 H SER 5 7.932 -19.182 -12.326 18 HA SER 5 HA SER 5 6.748 -17.404 -10.300 19 HB2 SER 5 1HB SER 5 9.594 -18.439 -10.330 20 HB3 SER 5 2HB SER 5 8.923 -17.301 -9.162 21 HG SER 5 HG SER 5 8.284 -20.031 -9.527 22 H SER 6 H SER 6 6.363 -15.658 -11.568 23 HA SER 6 HA SER 6 8.691 -14.481 -12.941 24 HB2 SER 6 1HB SER 6 5.829 -14.704 -13.818 25 HB3 SER 6 2HB SER 6 6.828 -13.372 -14.400 26 HG SER 6 HG SER 6 8.359 -15.318 -14.818 27 H GLY 7 H GLY 7 9.171 -12.400 -12.493 28 HA2 GLY 7 1HA GLY 7 7.192 -10.774 -11.056 29 HA3 GLY 7 2HA GLY 7 8.765 -11.035 -10.316 30 H ASN 8 H ASN 8 7.419 -8.563 -11.271 31 HA ASN 8 HA ASN 8 9.687 -7.293 -12.377 32 HB2 ASN 8 1HB ASN 8 8.508 -8.622 -14.344 33 HB3 ASN 8 2HB ASN 8 7.440 -7.221 -14.343 34 HD21 ASN 8 1HD2 ASN 8 10.929 -7.824 -14.050 35 HD22 ASN 8 2HD2 ASN 8 11.402 -6.629 -15.204 36 H ASP 9 H ASP 9 8.797 -5.044 -13.435 37 HA ASP 9 HA ASP 9 7.757 -3.593 -11.287 38 HB2 ASP 9 1HB ASP 9 7.248 -1.880 -13.235 39 HB3 ASP 9 2HB ASP 9 8.904 -2.239 -12.752 40 H ASP 10 H ASP 10 6.158 -4.721 -14.253 41 HA ASP 10 HA ASP 10 3.608 -3.669 -13.570 42 HB2 ASP 10 1HB ASP 10 4.017 -6.010 -15.413 43 HB3 ASP 10 2HB ASP 10 2.805 -4.736 -15.503 44 H ILE 11 H ILE 11 4.643 -7.078 -13.788 45 HA ILE 11 HA ILE 11 2.595 -8.421 -12.746 46 HB ILE 11 HB ILE 11 5.510 -8.759 -12.095 47 HG12 ILE 11 1HG1 ILE 11 4.913 -10.935 -13.447 48 HG13 ILE 11 2HG1 ILE 11 3.532 -9.983 -13.982 49 HG21 ILE 11 1HG2 ILE 11 3.169 -10.303 -11.051 50 HG22 ILE 11 2HG2 ILE 11 4.725 -11.092 -11.305 51 HG23 ILE 11 3HG2 ILE 11 4.599 -9.727 -10.195 52 HD11 ILE 11 1HD1 ILE 11 4.838 -8.506 -15.156 53 HD12 ILE 11 2HD1 ILE 11 6.274 -8.839 -14.187 54 HD13 ILE 11 3HD1 ILE 11 5.720 -10.017 -15.376 55 H ILE 12 H ILE 12 5.108 -7.107 -10.576 56 HA ILE 12 HA ILE 12 3.961 -7.582 -8.156 57 HB ILE 12 HB ILE 12 5.533 -5.174 -9.051 58 HG12 ILE 12 1HG1 ILE 12 6.293 -7.518 -7.296 59 HG13 ILE 12 2HG1 ILE 12 6.634 -7.419 -9.020 60 HG21 ILE 12 1HG2 ILE 12 5.901 -4.913 -6.508 61 HG22 ILE 12 2HG2 ILE 12 4.415 -4.288 -7.220 62 HG23 ILE 12 3HG2 ILE 12 4.400 -5.826 -6.358 63 HD11 ILE 12 1HD1 ILE 12 7.725 -5.664 -6.839 64 HD12 ILE 12 2HD1 ILE 12 8.605 -6.818 -7.842 65 HD13 ILE 12 3HD1 ILE 12 7.945 -5.350 -8.561 66 H VAL 13 H VAL 13 3.442 -4.629 -10.089 67 HA VAL 13 HA VAL 13 1.624 -3.349 -8.459 68 HB VAL 13 HB VAL 13 1.680 -3.404 -11.479 69 HG11 VAL 13 1HG1 VAL 13 -0.492 -2.645 -10.524 70 HG12 VAL 13 2HG1 VAL 13 0.380 -1.359 -9.687 71 HG13 VAL 13 3HG1 VAL 13 0.357 -1.408 -11.450 72 HG21 VAL 13 1HG2 VAL 13 3.411 -2.247 -9.525 73 HG22 VAL 13 2HG2 VAL 13 3.521 -2.177 -11.284 74 HG23 VAL 13 3HG2 VAL 13 2.595 -0.957 -10.409 75 H ASN 14 H ASN 14 0.837 -5.518 -11.182 76 HA ASN 14 HA ASN 14 -1.892 -5.570 -10.971 77 HB2 ASN 14 1HB ASN 14 0.139 -7.552 -11.878 78 HB3 ASN 14 2HB ASN 14 -1.514 -8.120 -11.659 79 HD21 ASN 14 1HD2 ASN 14 0.164 -7.734 -14.073 80 HD22 ASN 14 2HD2 ASN 14 -0.778 -6.734 -15.120 81 H TRP 15 H TRP 15 0.452 -7.375 -9.050 82 HA TRP 15 HA TRP 15 -1.433 -8.973 -7.666 83 HB2 TRP 15 1HB TRP 15 1.036 -9.425 -7.837 84 HB3 TRP 15 2HB TRP 15 1.294 -8.123 -6.679 85 HD1 TRP 15 HD TRP 15 0.163 -11.737 -6.912 86 HE1 TRP 15 1HE TRP 15 -0.106 -12.690 -4.536 87 HE3 TRP 15 3HE TRP 15 0.680 -7.410 -4.240 88 HZ2 TRP 15 2HZ TRP 15 -0.100 -11.733 -1.881 89 HZ3 TRP 15 3HZ TRP 15 0.536 -7.515 -1.786 90 HH2 TRP 15 HH TRP 15 0.153 -9.633 -0.633 91 H VAL 16 H VAL 16 0.264 -5.978 -6.757 92 HA VAL 16 HA VAL 16 -0.634 -5.556 -4.230 93 HB VAL 16 HB VAL 16 -0.389 -3.506 -6.432 94 HG11 VAL 16 1HG1 VAL 16 -0.080 -1.937 -4.423 95 HG12 VAL 16 2HG1 VAL 16 -1.721 -2.424 -4.850 96 HG13 VAL 16 3HG1 VAL 16 -0.896 -3.193 -3.493 97 HG21 VAL 16 1HG2 VAL 16 1.749 -4.256 -6.165 98 HG22 VAL 16 2HG2 VAL 16 1.711 -3.045 -4.882 99 HG23 VAL 16 3HG2 VAL 16 1.486 -4.750 -4.493 100 H ASN 17 H ASN 17 -2.426 -4.869 -7.213 101 HA ASN 17 HA ASN 17 -4.701 -3.772 -5.925 102 HB2 ASN 17 1HB ASN 17 -4.081 -4.763 -8.674 103 HB3 ASN 17 2HB ASN 17 -5.768 -4.522 -8.231 104 HD21 ASN 17 1HD2 ASN 17 -2.634 -2.933 -8.414 105 HD22 ASN 17 2HD2 ASN 17 -3.253 -1.336 -8.640 106 H ARG 18 H ARG 18 -4.192 -6.957 -7.451 107 HA ARG 18 HA ARG 18 -6.573 -8.165 -6.877 108 HB2 ARG 18 1HB ARG 18 -4.355 -9.053 -8.008 109 HB3 ARG 18 2HB ARG 18 -4.080 -9.744 -6.414 110 HG2 ARG 18 1HG ARG 18 -5.167 -11.479 -7.391 111 HG3 ARG 18 2HG ARG 18 -6.557 -10.600 -6.751 112 HD2 ARG 18 1HD ARG 18 -5.542 -10.000 -9.498 113 HD3 ARG 18 2HD ARG 18 -6.558 -11.415 -9.225 114 HE ARG 18 HE ARG 18 -7.408 -8.708 -9.328 115 HH11 ARG 18 2HH1 ARG 18 -8.021 -11.744 -7.740 116 HH12 ARG 18 1HH1 ARG 18 -9.684 -11.385 -7.410 117 HH21 ARG 18 2HH2 ARG 18 -9.595 -8.223 -8.900 118 HH22 ARG 18 1HH2 ARG 18 -10.578 -9.382 -8.071 119 H THR 19 H THR 19 -3.702 -8.214 -4.761 120 HA THR 19 HA THR 19 -4.774 -9.585 -2.619 121 HB THR 19 HB THR 19 -2.817 -7.284 -2.458 122 HG1 THR 19 1HG THR 19 -2.238 -9.082 -3.878 123 HG21 THR 19 1HG2 THR 19 -2.160 -9.125 -0.522 124 HG22 THR 19 2HG2 THR 19 -3.923 -9.123 -0.477 125 HG23 THR 19 3HG2 THR 19 -3.033 -7.618 -0.250 126 H LEU 20 H LEU 20 -4.416 -6.034 -2.693 127 HA LEU 20 HA LEU 20 -5.777 -5.242 -0.545 128 HB2 LEU 20 1HB LEU 20 -6.054 -4.127 -3.328 129 HB3 LEU 20 2HB LEU 20 -6.671 -3.318 -1.889 130 HG LEU 20 HG LEU 20 -3.769 -4.037 -2.119 131 HD11 LEU 20 1HD1 LEU 20 -5.244 -1.991 -3.627 132 HD12 LEU 20 2HD1 LEU 20 -3.680 -2.737 -3.949 133 HD13 LEU 20 3HD1 LEU 20 -3.804 -1.418 -2.785 134 HD21 LEU 20 1HD2 LEU 20 -5.385 -2.838 -0.160 135 HD22 LEU 20 2HD2 LEU 20 -4.406 -1.545 -0.853 136 HD23 LEU 20 3HD2 LEU 20 -3.627 -2.975 -0.175 137 H SER 21 H SER 21 -7.305 -6.417 -3.510 138 HA SER 21 HA SER 21 -9.974 -5.968 -2.656 139 HB2 SER 21 1HB SER 21 -9.237 -6.288 -5.043 140 HB3 SER 21 2HB SER 21 -9.035 -8.003 -4.688 141 HG SER 21 HG SER 21 -11.331 -7.833 -3.947 142 H GLU 22 H GLU 22 -8.024 -8.947 -2.854 143 HA GLU 22 HA GLU 22 -9.641 -10.870 -1.969 144 HB2 GLU 22 1HB GLU 22 -6.800 -10.260 -1.307 145 HB3 GLU 22 2HB GLU 22 -7.594 -11.553 -0.418 146 HG2 GLU 22 1HG GLU 22 -8.271 -12.395 -2.783 147 HG3 GLU 22 2HG GLU 22 -6.934 -11.380 -3.320 148 H ALA 23 H ALA 23 -8.407 -8.252 0.026 149 HA ALA 23 HA ALA 23 -9.824 -9.296 2.363 150 HB1 ALA 23 1HB ALA 23 -8.616 -7.693 3.658 151 HB2 ALA 23 2HB ALA 23 -7.473 -8.481 2.568 152 HB3 ALA 23 3HB ALA 23 -8.062 -6.859 2.206 153 H GLY 24 H GLY 24 -9.743 -6.468 0.233 154 HA2 GLY 24 1HA GLY 24 -11.846 -5.436 -0.394 155 HA3 GLY 24 2HA GLY 24 -12.433 -5.775 1.227 156 H LYS 25 H LYS 25 -9.483 -4.223 -0.033 157 HA LYS 25 HA LYS 25 -9.816 -2.093 1.930 158 HB2 LYS 25 1HB LYS 25 -7.550 -2.677 0.015 159 HB3 LYS 25 2HB LYS 25 -7.545 -1.408 1.234 160 HG2 LYS 25 1HG LYS 25 -7.852 -4.329 1.880 161 HG3 LYS 25 2HG LYS 25 -6.301 -3.487 1.851 162 HD2 LYS 25 1HD LYS 25 -6.763 -2.288 3.743 163 HD3 LYS 25 2HD LYS 25 -8.504 -2.300 3.457 164 HE2 LYS 25 1HE LYS 25 -7.035 -4.823 4.132 165 HE3 LYS 25 2HE LYS 25 -7.545 -3.708 5.399 166 HZ1 LYS 25 1HZ LYS 25 -9.759 -4.090 4.966 167 HZ2 LYS 25 2HZ LYS 25 -9.100 -5.624 4.699 168 HZ3 LYS 25 3HZ LYS 25 -9.485 -4.630 3.386 169 H SER 26 H SER 26 -9.580 0.156 1.304 170 HA SER 26 HA SER 26 -10.845 0.669 -1.297 171 HB2 SER 26 1HB SER 26 -10.694 2.405 1.179 172 HB3 SER 26 2HB SER 26 -11.502 2.851 -0.323 173 HG SER 26 HG SER 26 -13.162 1.782 0.360 174 H THR 27 H THR 27 -7.979 0.186 -0.924 175 HA THR 27 HA THR 27 -6.989 2.743 -1.996 176 HB THR 27 HB THR 27 -4.745 2.134 -0.977 177 HG1 THR 27 1HG THR 27 -6.280 0.048 -0.085 178 HG21 THR 27 1HG2 THR 27 -5.292 3.087 1.192 179 HG22 THR 27 2HG2 THR 27 -6.998 2.706 0.953 180 HG23 THR 27 3HG2 THR 27 -6.209 3.903 -0.074 181 H SER 28 H SER 28 -5.166 2.551 -3.450 182 HA SER 28 HA SER 28 -4.242 0.046 -4.401 183 HB2 SER 28 1HB SER 28 -6.560 1.312 -5.796 184 HB3 SER 28 2HB SER 28 -5.316 0.536 -6.776 185 HG SER 28 HG SER 28 -6.608 -1.119 -6.336 186 H ILE 29 H ILE 29 -2.857 0.284 -6.339 187 HA ILE 29 HA ILE 29 -1.988 3.047 -6.819 188 HB ILE 29 HB ILE 29 0.379 2.330 -6.720 189 HG12 ILE 29 1HG1 ILE 29 -0.422 -0.107 -5.190 190 HG13 ILE 29 2HG1 ILE 29 -0.439 -0.181 -6.948 191 HG21 ILE 29 1HG2 ILE 29 0.029 1.713 -4.054 192 HG22 ILE 29 2HG2 ILE 29 0.139 3.331 -4.744 193 HG23 ILE 29 3HG2 ILE 29 -1.440 2.593 -4.473 194 HD11 ILE 29 1HD1 ILE 29 1.658 -1.002 -6.029 195 HD12 ILE 29 2HD1 ILE 29 1.909 0.445 -7.005 196 HD13 ILE 29 3HD1 ILE 29 1.930 0.554 -5.245 197 H GLN 30 H GLN 30 -1.261 3.472 -8.863 198 HA GLN 30 HA GLN 30 -1.831 1.447 -10.861 199 HB2 GLN 30 1HB GLN 30 -1.286 4.393 -10.930 200 HB3 GLN 30 2HB GLN 30 -1.158 3.445 -12.405 201 HG2 GLN 30 1HG GLN 30 -3.327 4.300 -12.425 202 HG3 GLN 30 2HG GLN 30 -3.507 2.626 -11.903 203 HE21 GLN 30 1HE2 GLN 30 -3.399 5.957 -10.798 204 HE22 GLN 30 2HE2 GLN 30 -4.314 5.705 -9.355 205 H SER 31 H SER 31 0.921 3.085 -9.471 206 HA SER 31 HA SER 31 2.726 1.144 -10.541 207 HB2 SER 31 1HB SER 31 2.288 2.977 -12.385 208 HB3 SER 31 2HB SER 31 3.408 3.927 -11.409 209 HG SER 31 HG SER 31 3.949 1.321 -12.394 210 H PHE 32 H PHE 32 5.123 2.162 -10.153 211 HA PHE 32 HA PHE 32 5.137 2.756 -7.309 212 HB2 PHE 32 1HB PHE 32 7.586 2.411 -9.022 213 HB3 PHE 32 2HB PHE 32 7.392 2.086 -7.303 214 HD1 PHE 32 1HD PHE 32 6.088 0.101 -6.568 215 HD2 PHE 32 2HD PHE 32 7.115 0.765 -10.645 216 HE1 PHE 32 1HE PHE 32 5.632 -2.266 -7.065 217 HE2 PHE 32 2HE PHE 32 6.660 -1.599 -11.149 218 HZ PHE 32 HZ PHE 32 5.916 -3.118 -9.358 219 H LYS 33 H LYS 33 4.613 4.678 -9.726 220 HA LYS 33 HA LYS 33 6.493 6.778 -8.870 221 HB2 LYS 33 1HB LYS 33 5.011 6.402 -11.473 222 HB3 LYS 33 2HB LYS 33 5.859 7.884 -11.053 223 HG2 LYS 33 1HG LYS 33 7.863 6.219 -10.655 224 HG3 LYS 33 2HG LYS 33 6.941 5.215 -11.776 225 HD2 LYS 33 1HD LYS 33 7.414 8.078 -12.461 226 HD3 LYS 33 2HD LYS 33 8.738 6.926 -12.651 227 HE2 LYS 33 1HE LYS 33 7.006 5.499 -13.927 228 HE3 LYS 33 2HE LYS 33 6.077 6.993 -14.030 229 HZ1 LYS 33 1HZ LYS 33 8.365 6.187 -15.522 230 HZ2 LYS 33 2HZ LYS 33 8.619 7.687 -14.784 231 HZ3 LYS 33 3HZ LYS 33 7.293 7.463 -15.810 232 H ASP 34 H ASP 34 3.139 5.931 -9.351 233 HA ASP 34 HA ASP 34 1.726 8.201 -9.301 234 HB2 ASP 34 1HB ASP 34 0.874 5.815 -8.994 235 HB3 ASP 34 2HB ASP 34 1.140 6.051 -7.268 236 H LYS 35 H LYS 35 0.896 9.653 -7.725 237 HA LYS 35 HA LYS 35 2.831 10.240 -5.621 238 HB2 LYS 35 1HB LYS 35 0.481 11.878 -6.588 239 HB3 LYS 35 2HB LYS 35 1.736 12.417 -5.481 240 HG2 LYS 35 1HG LYS 35 2.466 11.451 -8.211 241 HG3 LYS 35 2HG LYS 35 1.846 13.088 -7.981 242 HD2 LYS 35 1HD LYS 35 3.664 13.726 -6.677 243 HD3 LYS 35 2HD LYS 35 4.093 12.059 -6.288 244 HE2 LYS 35 1HE LYS 35 5.709 12.505 -7.831 245 HE3 LYS 35 2HE LYS 35 4.440 11.925 -8.909 246 HZ1 LYS 35 1HZ LYS 35 5.166 13.884 -9.888 247 HZ2 LYS 35 2HZ LYS 35 5.310 14.702 -8.415 248 HZ3 LYS 35 3HZ LYS 35 3.779 14.374 -9.054 249 H THR 36 H THR 36 0.897 8.024 -5.400 250 HA THR 36 HA THR 36 -0.744 8.966 -3.148 251 HB THR 36 HB THR 36 -1.925 6.746 -3.409 252 HG1 THR 36 1HG THR 36 -0.398 5.616 -4.620 253 HG21 THR 36 1HG2 THR 36 -1.999 9.033 -5.263 254 HG22 THR 36 2HG2 THR 36 -3.290 8.307 -4.306 255 HG23 THR 36 3HG2 THR 36 -2.805 7.574 -5.835 256 H ILE 37 H ILE 37 1.796 6.762 -4.072 257 HA ILE 37 HA ILE 37 1.801 5.106 -1.801 258 HB ILE 37 HB ILE 37 4.164 5.912 -3.502 259 HG12 ILE 37 1HG1 ILE 37 2.569 3.378 -3.782 260 HG13 ILE 37 2HG1 ILE 37 2.075 4.849 -4.612 261 HG21 ILE 37 1HG2 ILE 37 4.305 3.256 -2.465 262 HG22 ILE 37 2HG2 ILE 37 5.407 4.608 -2.209 263 HG23 ILE 37 3HG2 ILE 37 4.025 4.382 -1.137 264 HD11 ILE 37 1HD1 ILE 37 4.741 4.655 -5.235 265 HD12 ILE 37 2HD1 ILE 37 4.198 2.976 -5.240 266 HD13 ILE 37 3HD1 ILE 37 3.393 4.167 -6.262 267 H SER 38 H SER 38 3.056 8.311 -2.360 268 HA SER 38 HA SER 38 4.912 8.537 -0.311 269 HB2 SER 38 1HB SER 38 4.416 10.972 -0.368 270 HB3 SER 38 2HB SER 38 4.624 10.287 -1.980 271 HG SER 38 HG SER 38 2.141 10.032 -1.678 272 H SER 39 H SER 39 1.417 8.609 -0.198 273 HA SER 39 HA SER 39 1.307 9.511 2.537 274 HB2 SER 39 1HB SER 39 -1.127 9.054 2.329 275 HB3 SER 39 2HB SER 39 -0.518 10.084 1.033 276 HG SER 39 HG SER 39 -0.482 7.353 0.551 277 H SER 40 H SER 40 1.949 6.583 1.027 278 HA SER 40 HA SER 40 2.038 4.410 1.709 279 HB2 SER 40 1HB SER 40 2.225 5.614 4.479 280 HB3 SER 40 2HB SER 40 2.826 4.038 3.964 281 HG SER 40 HG SER 40 4.469 4.975 2.938 282 H LEU 41 H LEU 41 -0.598 5.632 1.502 283 HA LEU 41 HA LEU 41 -2.165 4.507 3.660 284 HB2 LEU 41 1HB LEU 41 -2.935 5.890 1.098 285 HB3 LEU 41 2HB LEU 41 -4.096 5.311 2.291 286 HG LEU 41 HG LEU 41 -1.968 7.333 2.953 287 HD11 LEU 41 1HD1 LEU 41 -4.188 7.697 1.230 288 HD12 LEU 41 2HD1 LEU 41 -3.063 8.906 1.846 289 HD13 LEU 41 3HD1 LEU 41 -4.532 8.529 2.746 290 HD21 LEU 41 1HD2 LEU 41 -4.576 7.251 4.321 291 HD22 LEU 41 2HD2 LEU 41 -2.957 7.503 4.973 292 HD23 LEU 41 3HD2 LEU 41 -3.516 5.871 4.604 293 H ALA 42 H ALA 42 -1.263 3.698 0.386 294 HA ALA 42 HA ALA 42 -3.165 1.526 0.192 295 HB1 ALA 42 1HB ALA 42 -0.999 2.563 -1.607 296 HB2 ALA 42 2HB ALA 42 -1.842 1.051 -1.944 297 HB3 ALA 42 3HB ALA 42 -2.744 2.564 -1.862 298 H VAL 43 H VAL 43 0.170 1.984 1.085 299 HA VAL 43 HA VAL 43 1.052 -0.685 0.814 300 HB VAL 43 HB VAL 43 2.058 1.382 2.773 301 HG11 VAL 43 1HG1 VAL 43 3.938 0.093 3.067 302 HG12 VAL 43 2HG1 VAL 43 2.705 -1.156 2.887 303 HG13 VAL 43 3HG1 VAL 43 3.743 -0.737 1.524 304 HG21 VAL 43 1HG2 VAL 43 3.410 0.880 0.179 305 HG22 VAL 43 2HG2 VAL 43 1.936 1.848 0.162 306 HG23 VAL 43 3HG2 VAL 43 3.313 2.357 1.139 307 H VAL 44 H VAL 44 0.014 1.114 3.716 308 HA VAL 44 HA VAL 44 0.137 -0.978 5.534 309 HB VAL 44 HB VAL 44 -1.876 1.275 5.534 310 HG11 VAL 44 1HG1 VAL 44 -2.243 -0.702 7.089 311 HG12 VAL 44 2HG1 VAL 44 -0.770 -0.188 7.915 312 HG13 VAL 44 3HG1 VAL 44 -2.162 0.892 7.838 313 HG21 VAL 44 1HG2 VAL 44 0.912 1.136 6.676 314 HG22 VAL 44 2HG2 VAL 44 0.373 2.152 5.339 315 HG23 VAL 44 3HG2 VAL 44 -0.239 2.440 6.968 316 H ASP 45 H ASP 45 -2.607 0.065 3.530 317 HA ASP 45 HA ASP 45 -4.492 -1.767 4.460 318 HB2 ASP 45 1HB ASP 45 -4.143 -0.291 1.873 319 HB3 ASP 45 2HB ASP 45 -5.421 -1.493 2.031 320 H LEU 46 H LEU 46 -1.760 -2.215 2.397 321 HA LEU 46 HA LEU 46 -2.650 -4.662 1.202 322 HB2 LEU 46 1HB LEU 46 -0.886 -3.017 0.332 323 HB3 LEU 46 2HB LEU 46 0.211 -3.796 1.471 324 HG LEU 46 HG LEU 46 -0.280 -5.967 0.297 325 HD11 LEU 46 1HD1 LEU 46 -1.562 -4.112 -1.703 326 HD12 LEU 46 2HD1 LEU 46 -2.371 -5.366 -0.763 327 HD13 LEU 46 3HD1 LEU 46 -1.180 -5.811 -1.985 328 HD21 LEU 46 1HD2 LEU 46 1.555 -4.019 -0.238 329 HD22 LEU 46 2HD2 LEU 46 0.839 -4.295 -1.826 330 HD23 LEU 46 3HD2 LEU 46 1.559 -5.638 -0.937 331 H ILE 47 H ILE 47 -0.279 -3.873 3.740 332 HA ILE 47 HA ILE 47 0.476 -6.460 4.405 333 HB ILE 47 HB ILE 47 0.249 -4.033 6.185 334 HG12 ILE 47 1HG1 ILE 47 2.819 -5.202 5.210 335 HG13 ILE 47 2HG1 ILE 47 1.854 -4.249 4.089 336 HG21 ILE 47 1HG2 ILE 47 0.408 -5.591 7.820 337 HG22 ILE 47 2HG2 ILE 47 1.102 -6.805 6.746 338 HG23 ILE 47 3HG2 ILE 47 2.118 -5.518 7.394 339 HD11 ILE 47 1HD1 ILE 47 2.033 -2.320 5.433 340 HD12 ILE 47 2HD1 ILE 47 2.686 -3.240 6.790 341 HD13 ILE 47 3HD1 ILE 47 3.651 -3.013 5.332 342 H ASP 48 H ASP 48 -2.441 -4.731 5.145 343 HA ASP 48 HA ASP 48 -3.323 -6.250 7.347 344 HB2 ASP 48 1HB ASP 48 -4.251 -4.028 6.398 345 HB3 ASP 48 2HB ASP 48 -5.195 -5.053 5.320 346 H ALA 49 H ALA 49 -4.061 -6.550 3.877 347 HA ALA 49 HA ALA 49 -5.789 -8.668 3.894 348 HB1 ALA 49 1HB ALA 49 -3.580 -8.569 1.873 349 HB2 ALA 49 2HB ALA 49 -5.273 -9.010 1.653 350 HB3 ALA 49 3HB ALA 49 -4.828 -7.324 1.916 351 H ILE 50 H ILE 50 -2.241 -8.960 3.619 352 HA ILE 50 HA ILE 50 -2.083 -11.727 3.737 353 HB ILE 50 HB ILE 50 -0.078 -9.779 4.879 354 HG12 ILE 50 1HG1 ILE 50 0.115 -10.996 2.150 355 HG13 ILE 50 2HG1 ILE 50 -0.909 -9.585 2.392 356 HG21 ILE 50 1HG2 ILE 50 -0.133 -12.657 4.659 357 HG22 ILE 50 2HG2 ILE 50 1.229 -11.971 3.775 358 HG23 ILE 50 3HG2 ILE 50 1.021 -11.614 5.489 359 HD11 ILE 50 1HD1 ILE 50 1.252 -8.889 1.622 360 HD12 ILE 50 2HD1 ILE 50 1.043 -8.378 3.298 361 HD13 ILE 50 3HD1 ILE 50 2.044 -9.780 2.922 362 H GLN 51 H GLN 51 -1.719 -9.423 6.436 363 HA GLN 51 HA GLN 51 -2.649 -11.543 8.249 364 HB2 GLN 51 1HB GLN 51 -0.273 -11.430 8.573 365 HB3 GLN 51 2HB GLN 51 -0.315 -9.674 8.665 366 HG2 GLN 51 1HG GLN 51 -0.171 -10.158 10.873 367 HG3 GLN 51 2HG GLN 51 -1.924 -10.170 10.695 368 HE21 GLN 51 1HE2 GLN 51 0.482 -11.730 12.136 369 HE22 GLN 51 2HE2 GLN 51 -0.151 -13.336 12.182 370 HA PRO 52 HA PRO 52 -5.252 -7.774 8.760 371 HB2 PRO 52 1HB PRO 52 -7.564 -9.157 9.095 372 HB3 PRO 52 2HB PRO 52 -6.921 -8.733 7.504 373 HG2 PRO 52 1HG PRO 52 -6.734 -11.323 8.994 374 HG3 PRO 52 2HG PRO 52 -7.075 -11.042 7.276 375 HD2 PRO 52 1HD PRO 52 -4.630 -11.783 8.174 376 HD3 PRO 52 2HD PRO 52 -4.850 -10.739 6.755 377 H GLY 53 H GLY 53 -6.660 -7.171 10.597 378 HA2 GLY 53 1HA GLY 53 -7.381 -7.351 12.821 379 HA3 GLY 53 2HA GLY 53 -6.457 -8.838 12.977 380 H CYS 54 H CYS 54 -4.048 -7.512 11.825 381 HA CYS 54 HA CYS 54 -3.056 -6.446 14.324 382 HB2 CYS 54 1HB CYS 54 -0.875 -6.588 13.336 383 HB3 CYS 54 2HB CYS 54 -1.750 -8.053 12.906 384 HG CYS 54 HG CYS 54 -1.281 -7.852 10.400 385 H ILE 55 H ILE 55 -3.460 -5.312 10.987 386 HA ILE 55 HA ILE 55 -2.391 -2.747 11.337 387 HB ILE 55 HB ILE 55 -4.585 -3.583 9.437 388 HG12 ILE 55 1HG1 ILE 55 -2.448 -4.908 9.309 389 HG13 ILE 55 2HG1 ILE 55 -2.860 -4.038 7.836 390 HG21 ILE 55 1HG2 ILE 55 -3.689 -1.672 8.076 391 HG22 ILE 55 2HG2 ILE 55 -4.535 -1.211 9.552 392 HG23 ILE 55 3HG2 ILE 55 -2.772 -1.182 9.500 393 HD11 ILE 55 1HD1 ILE 55 -0.994 -2.833 7.909 394 HD12 ILE 55 2HD1 ILE 55 -1.169 -2.500 9.632 395 HD13 ILE 55 3HD1 ILE 55 -0.433 -4.010 9.096 396 H ASN 56 H ASN 56 -3.219 -0.828 12.010 397 HA ASN 56 HA ASN 56 -6.030 -0.772 12.870 398 HB2 ASN 56 1HB ASN 56 -4.169 -1.082 14.719 399 HB3 ASN 56 2HB ASN 56 -3.971 0.655 14.503 400 HD21 ASN 56 1HD2 ASN 56 -4.643 0.430 16.841 401 HD22 ASN 56 2HD2 ASN 56 -6.335 0.545 17.170 402 H TYR 57 H TYR 57 -6.895 0.628 11.462 403 HA TYR 57 HA TYR 57 -5.519 2.777 10.259 404 HB2 TYR 57 1HB TYR 57 -8.470 2.200 10.546 405 HB3 TYR 57 2HB TYR 57 -7.832 3.538 9.596 406 HD1 TYR 57 2HD TYR 57 -5.641 2.503 8.118 407 HD2 TYR 57 1HD TYR 57 -9.263 0.533 9.169 408 HE1 TYR 57 2HE TYR 57 -5.384 1.009 6.182 409 HE2 TYR 57 1HE TYR 57 -9.015 -0.967 7.236 410 HH TYR 57 HH TYR 57 -7.846 -1.419 5.394 411 H ASP 58 H ASP 58 -7.632 2.571 13.076 412 HA ASP 58 HA ASP 58 -8.271 5.089 13.710 413 HB2 ASP 58 1HB ASP 58 -6.928 3.270 15.716 414 HB3 ASP 58 2HB ASP 58 -8.114 4.530 16.047 415 H LEU 59 H LEU 59 -5.021 3.731 13.980 416 HA LEU 59 HA LEU 59 -3.942 6.240 14.961 417 HB2 LEU 59 1HB LEU 59 -2.429 3.777 14.123 418 HB3 LEU 59 2HB LEU 59 -1.856 5.095 15.143 419 HG LEU 59 HG LEU 59 -4.079 3.225 15.942 420 HD11 LEU 59 1HD1 LEU 59 -2.587 1.653 16.392 421 HD12 LEU 59 2HD1 LEU 59 -1.710 2.775 17.431 422 HD13 LEU 59 3HD1 LEU 59 -1.307 2.661 15.718 423 HD21 LEU 59 1HD2 LEU 59 -3.851 4.138 18.094 424 HD22 LEU 59 2HD2 LEU 59 -3.830 5.525 17.005 425 HD23 LEU 59 3HD2 LEU 59 -2.322 4.921 17.693 426 H VAL 60 H VAL 60 -3.854 4.283 12.021 427 HA VAL 60 HA VAL 60 -1.964 5.730 10.574 428 HB VAL 60 HB VAL 60 -4.409 4.294 9.533 429 HG11 VAL 60 1HG1 VAL 60 -2.343 4.213 7.646 430 HG12 VAL 60 2HG1 VAL 60 -3.865 5.100 7.534 431 HG13 VAL 60 3HG1 VAL 60 -2.430 5.889 8.189 432 HG21 VAL 60 1HG2 VAL 60 -1.755 3.084 9.233 433 HG22 VAL 60 2HG2 VAL 60 -2.316 3.217 10.899 434 HG23 VAL 60 3HG2 VAL 60 -3.288 2.354 9.708 435 H LYS 61 H LYS 61 -1.975 7.615 9.499 436 HA LYS 61 HA LYS 61 -4.310 9.325 9.781 437 HB2 LYS 61 1HB LYS 61 -1.424 9.739 9.170 438 HB3 LYS 61 2HB LYS 61 -2.565 10.934 8.566 439 HG2 LYS 61 1HG LYS 61 -2.458 10.088 11.447 440 HG3 LYS 61 2HG LYS 61 -1.517 11.432 10.797 441 HD2 LYS 61 1HD LYS 61 -3.449 12.670 10.277 442 HD3 LYS 61 2HD LYS 61 -4.497 11.261 10.448 443 HE2 LYS 61 1HE LYS 61 -3.980 11.212 12.862 444 HE3 LYS 61 2HE LYS 61 -3.011 12.672 12.662 445 HZ1 LYS 61 1HZ LYS 61 -5.406 13.315 11.540 446 HZ2 LYS 61 2HZ LYS 61 -4.885 13.766 13.084 447 HZ3 LYS 61 3HZ LYS 61 -5.851 12.391 12.885 448 H SER 62 H SER 62 -4.723 10.839 7.839 449 HA SER 62 HA SER 62 -4.285 9.747 5.225 450 HB2 SER 62 1HB SER 62 -7.129 9.722 6.257 451 HB3 SER 62 2HB SER 62 -6.568 9.189 4.673 452 HG SER 62 HG SER 62 -6.629 7.333 5.745 453 H GLY 63 H GLY 63 -5.339 11.061 3.528 454 HA2 GLY 63 1HA GLY 63 -6.351 13.047 2.761 455 HA3 GLY 63 2HA GLY 63 -6.330 13.666 4.406 456 H ASN 64 H ASN 64 -5.315 15.583 4.109 457 HA ASN 64 HA ASN 64 -2.994 15.850 2.447 458 HB2 ASN 64 1HB ASN 64 -4.561 17.667 4.234 459 HB3 ASN 64 2HB ASN 64 -2.942 18.152 3.738 460 HD21 ASN 64 1HD2 ASN 64 -2.514 18.129 1.397 461 HD22 ASN 64 2HD2 ASN 64 -3.793 18.589 0.331 462 H LEU 65 H LEU 65 -1.587 14.278 3.377 463 HA LEU 65 HA LEU 65 -0.678 14.629 6.097 464 HB2 LEU 65 1HB LEU 65 0.494 12.865 3.958 465 HB3 LEU 65 2HB LEU 65 0.725 12.731 5.700 466 HG LEU 65 HG LEU 65 -1.937 12.327 4.348 467 HD11 LEU 65 1HD1 LEU 65 0.047 10.726 3.744 468 HD12 LEU 65 2HD1 LEU 65 -1.548 10.079 4.125 469 HD13 LEU 65 3HD1 LEU 65 -0.276 10.064 5.346 470 HD21 LEU 65 1HD2 LEU 65 -0.933 11.491 7.066 471 HD22 LEU 65 2HD2 LEU 65 -2.565 11.286 6.428 472 HD23 LEU 65 3HD2 LEU 65 -1.942 12.904 6.755 473 H THR 66 H THR 66 0.775 16.095 6.656 474 HA THR 66 HA THR 66 2.334 17.523 4.742 475 HB THR 66 HB THR 66 3.285 18.715 6.629 476 HG1 THR 66 1HG THR 66 2.604 18.014 8.785 477 HG21 THR 66 1HG2 THR 66 0.394 18.287 6.360 478 HG22 THR 66 2HG2 THR 66 1.319 19.788 6.402 479 HG23 THR 66 3HG2 THR 66 0.888 18.975 7.906 480 H GLU 67 H GLU 67 4.768 17.853 5.249 481 HA GLU 67 HA GLU 67 6.238 15.737 4.447 482 HB2 GLU 67 1HB GLU 67 6.993 17.991 6.293 483 HB3 GLU 67 2HB GLU 67 8.173 16.797 5.769 484 HG2 GLU 67 1HG GLU 67 7.839 17.408 3.466 485 HG3 GLU 67 2HG GLU 67 6.541 18.514 3.913 486 H ASP 68 H ASP 68 5.299 16.442 7.772 487 HA ASP 68 HA ASP 68 6.788 14.262 8.889 488 HB2 ASP 68 1HB ASP 68 4.769 16.213 9.938 489 HB3 ASP 68 2HB ASP 68 5.183 14.792 10.892 490 H ASP 69 H ASP 69 3.279 14.863 8.632 491 HA ASP 69 HA ASP 69 2.275 12.485 9.452 492 HB2 ASP 69 1HB ASP 69 1.375 14.213 7.146 493 HB3 ASP 69 2HB ASP 69 0.445 12.831 7.719 494 H LYS 70 H LYS 70 3.282 13.171 6.103 495 HA LYS 70 HA LYS 70 2.792 10.718 4.962 496 HB2 LYS 70 1HB LYS 70 4.902 12.791 4.449 497 HB3 LYS 70 2HB LYS 70 4.882 11.295 3.525 498 HG2 LYS 70 1HG LYS 70 2.690 11.780 2.678 499 HG3 LYS 70 2HG LYS 70 2.557 13.198 3.723 500 HD2 LYS 70 1HD LYS 70 4.205 14.370 2.507 501 HD3 LYS 70 2HD LYS 70 4.739 12.910 1.672 502 HE2 LYS 70 1HE LYS 70 2.700 12.812 0.415 503 HE3 LYS 70 2HE LYS 70 1.999 14.126 1.358 504 HZ1 LYS 70 1HZ LYS 70 3.628 15.632 0.448 505 HZ2 LYS 70 2HZ LYS 70 2.807 14.863 -0.815 506 HZ3 LYS 70 3HZ LYS 70 4.375 14.377 -0.407 507 H HIS 71 H HIS 71 5.796 11.754 6.570 508 HA HIS 71 HA HIS 71 7.154 9.308 6.294 509 HB2 HIS 71 1HB HIS 71 7.475 11.740 7.976 510 HB3 HIS 71 2HB HIS 71 8.326 10.286 8.489 511 HD1 HIS 71 1HD HIS 71 9.879 9.192 6.497 512 HD2 HIS 71 2HD HIS 71 8.821 13.193 6.131 513 HE1 HIS 71 1HE HIS 71 11.509 10.172 4.850 514 HE2 HIS 71 2HE HIS 71 10.903 12.612 4.710 515 H ASN 72 H ASN 72 4.968 10.523 8.773 516 HA ASN 72 HA ASN 72 5.381 8.532 10.701 517 HB2 ASN 72 1HB ASN 72 3.196 10.466 10.089 518 HB3 ASN 72 2HB ASN 72 2.833 9.141 11.191 519 HD21 ASN 72 1HD2 ASN 72 3.150 12.101 11.538 520 HD22 ASN 72 2HD2 ASN 72 4.272 12.266 12.842 521 H ASN 73 H ASN 73 2.884 8.748 8.166 522 HA ASN 73 HA ASN 73 1.624 6.320 8.663 523 HB2 ASN 73 1HB ASN 73 1.994 7.824 6.066 524 HB3 ASN 73 2HB ASN 73 0.925 6.436 6.248 525 HD21 ASN 73 1HD2 ASN 73 -0.983 7.440 5.913 526 HD22 ASN 73 2HD2 ASN 73 -1.625 8.669 6.943 527 H ALA 74 H ALA 74 4.255 7.017 6.365 528 HA ALA 74 HA ALA 74 4.611 4.492 5.310 529 HB1 ALA 74 1HB ALA 74 5.992 6.931 5.250 530 HB2 ALA 74 2HB ALA 74 7.173 5.711 5.728 531 HB3 ALA 74 3HB ALA 74 6.258 5.516 4.233 532 H LYS 75 H LYS 75 6.384 5.875 8.082 533 HA LYS 75 HA LYS 75 7.911 3.745 8.821 534 HB2 LYS 75 1HB LYS 75 6.551 5.895 10.386 535 HB3 LYS 75 2HB LYS 75 7.344 4.591 11.260 536 HG2 LYS 75 1HG LYS 75 9.443 5.102 10.101 537 HG3 LYS 75 2HG LYS 75 8.641 6.430 9.258 538 HD2 LYS 75 1HD LYS 75 8.765 6.234 12.260 539 HD3 LYS 75 2HD LYS 75 9.996 7.061 11.302 540 HE2 LYS 75 1HE LYS 75 7.890 8.268 10.273 541 HE3 LYS 75 2HE LYS 75 7.154 7.799 11.804 542 HZ1 LYS 75 1HZ LYS 75 8.892 9.939 11.290 543 HZ2 LYS 75 2HZ LYS 75 9.665 8.880 12.359 544 HZ3 LYS 75 3HZ LYS 75 8.148 9.518 12.750 545 H TYR 76 H TYR 76 4.526 4.301 9.745 546 HA TYR 76 HA TYR 76 4.188 2.071 11.380 547 HB2 TYR 76 1HB TYR 76 2.586 4.033 10.969 548 HB3 TYR 76 2HB TYR 76 2.024 3.127 9.569 549 HD1 TYR 76 1HD TYR 76 2.616 2.656 13.229 550 HD2 TYR 76 2HD TYR 76 0.232 1.692 9.840 551 HE1 TYR 76 1HE TYR 76 1.085 1.386 14.675 552 HE2 TYR 76 2HE TYR 76 -1.306 0.421 11.276 553 HH TYR 76 HH TYR 76 -0.986 0.429 14.773 554 H ALA 77 H ALA 77 3.564 2.407 7.893 555 HA ALA 77 HA ALA 77 2.630 -0.146 7.368 556 HB1 ALA 77 1HB ALA 77 4.150 0.507 5.137 557 HB2 ALA 77 2HB ALA 77 2.447 0.883 5.404 558 HB3 ALA 77 3HB ALA 77 3.688 2.062 5.830 559 H VAL 78 H VAL 78 5.999 0.994 7.053 560 HA VAL 78 HA VAL 78 7.208 -1.383 6.375 561 HB VAL 78 HB VAL 78 8.328 0.769 8.176 562 HG11 VAL 78 1HG1 VAL 78 10.515 -0.070 7.575 563 HG12 VAL 78 2HG1 VAL 78 9.566 -1.364 8.308 564 HG13 VAL 78 3HG1 VAL 78 9.791 -1.315 6.559 565 HG21 VAL 78 1HG2 VAL 78 7.494 1.402 5.852 566 HG22 VAL 78 2HG2 VAL 78 9.160 1.823 6.246 567 HG23 VAL 78 3HG2 VAL 78 8.821 0.420 5.232 568 H SER 79 H SER 79 6.545 -0.150 9.641 569 HA SER 79 HA SER 79 7.726 -2.226 11.084 570 HB2 SER 79 1HB SER 79 6.648 -1.360 12.968 571 HB3 SER 79 2HB SER 79 6.720 0.037 11.893 572 HG SER 79 HG SER 79 4.644 0.069 12.309 573 H MET 80 H MET 80 4.336 -1.846 10.062 574 HA MET 80 HA MET 80 3.394 -4.268 11.106 575 HB2 MET 80 1HB MET 80 2.413 -2.719 8.702 576 HB3 MET 80 2HB MET 80 1.523 -4.004 9.507 577 HG2 MET 80 1HG MET 80 2.314 -1.354 10.691 578 HG3 MET 80 2HG MET 80 0.696 -1.855 10.208 579 HE1 MET 80 1HE MET 80 0.178 -4.875 12.766 580 HE2 MET 80 2HE MET 80 -0.536 -4.026 11.395 581 HE3 MET 80 3HE MET 80 0.947 -4.957 11.180 582 H ALA 81 H ALA 81 5.296 -3.586 8.313 583 HA ALA 81 HA ALA 81 4.695 -6.049 6.944 584 HB1 ALA 81 1HB ALA 81 7.011 -5.146 5.815 585 HB2 ALA 81 2HB ALA 81 5.385 -4.682 5.311 586 HB3 ALA 81 3HB ALA 81 6.291 -3.655 6.423 587 H ARG 82 H ARG 82 7.605 -4.749 8.553 588 HA ARG 82 HA ARG 82 9.115 -7.103 8.413 589 HB2 ARG 82 1HB ARG 82 10.500 -6.104 10.187 590 HB3 ARG 82 2HB ARG 82 10.127 -4.947 8.916 591 HG2 ARG 82 1HG ARG 82 8.412 -3.937 10.308 592 HG3 ARG 82 2HG ARG 82 8.726 -5.124 11.575 593 HD2 ARG 82 1HD ARG 82 9.864 -3.111 12.165 594 HD3 ARG 82 2HD ARG 82 11.078 -4.289 11.666 595 HE ARG 82 HE ARG 82 10.510 -2.872 9.398 596 HH11 ARG 82 2HH1 ARG 82 11.595 -2.074 12.608 597 HH12 ARG 82 1HH1 ARG 82 12.495 -0.684 12.099 598 HH21 ARG 82 2HH2 ARG 82 11.691 -1.044 8.716 599 HH22 ARG 82 1HH2 ARG 82 12.548 -0.098 9.885 600 H ARG 83 H ARG 83 6.889 -5.916 10.890 601 HA ARG 83 HA ARG 83 7.375 -7.827 12.860 602 HB2 ARG 83 1HB ARG 83 5.508 -7.011 13.918 603 HB3 ARG 83 2HB ARG 83 5.828 -5.689 12.804 604 HG2 ARG 83 1HG ARG 83 4.159 -6.595 11.258 605 HG3 ARG 83 2HG ARG 83 3.828 -7.903 12.395 606 HD2 ARG 83 1HD ARG 83 3.619 -5.043 13.256 607 HD3 ARG 83 2HD ARG 83 2.295 -5.814 12.382 608 HE ARG 83 HE ARG 83 1.849 -7.117 14.238 609 HH11 ARG 83 2HH1 ARG 83 4.798 -5.322 14.692 610 HH12 ARG 83 1HH1 ARG 83 4.902 -5.670 16.386 611 HH21 ARG 83 2HH2 ARG 83 1.976 -7.582 16.468 612 HH22 ARG 83 1HH2 ARG 83 3.297 -6.956 17.395 613 H ILE 84 H ILE 84 5.041 -7.889 10.181 614 HA ILE 84 HA ILE 84 4.039 -10.479 10.820 615 HB ILE 84 HB ILE 84 2.896 -10.400 8.685 616 HG12 ILE 84 1HG1 ILE 84 4.288 -7.799 8.075 617 HG13 ILE 84 2HG1 ILE 84 4.929 -9.340 7.517 618 HG21 ILE 84 1HG2 ILE 84 1.481 -9.154 9.872 619 HG22 ILE 84 2HG2 ILE 84 2.792 -8.256 10.635 620 HG23 ILE 84 3HG2 ILE 84 2.184 -7.757 9.057 621 HD11 ILE 84 1HD1 ILE 84 3.461 -9.452 5.855 622 HD12 ILE 84 2HD1 ILE 84 2.112 -9.014 6.903 623 HD13 ILE 84 3HD1 ILE 84 3.123 -7.755 6.193 624 H GLY 85 H GLY 85 7.013 -9.623 9.800 625 HA2 GLY 85 1HA GLY 85 8.738 -11.095 9.219 626 HA3 GLY 85 2HA GLY 85 7.534 -12.290 8.762 627 H ALA 86 H ALA 86 8.763 -9.107 7.743 628 HA ALA 86 HA ALA 86 8.581 -10.050 4.959 629 HB1 ALA 86 1HB ALA 86 6.790 -8.538 5.133 630 HB2 ALA 86 2HB ALA 86 7.740 -7.393 6.080 631 HB3 ALA 86 3HB ALA 86 8.092 -7.626 4.368 632 H ARG 87 H ARG 87 10.692 -10.447 4.551 633 HA ARG 87 HA ARG 87 12.838 -8.892 5.560 634 HB2 ARG 87 1HB ARG 87 13.337 -11.129 4.983 635 HB3 ARG 87 2HB ARG 87 12.627 -10.959 3.383 636 HG2 ARG 87 1HG ARG 87 14.467 -9.909 2.523 637 HG3 ARG 87 2HG ARG 87 14.964 -9.262 4.088 638 HD2 ARG 87 1HD ARG 87 15.056 -12.194 3.413 639 HD3 ARG 87 2HD ARG 87 16.411 -11.101 3.135 640 HE ARG 87 HE ARG 87 15.513 -12.149 5.661 641 HH11 ARG 87 2HH1 ARG 87 17.274 -9.604 4.067 642 HH12 ARG 87 1HH1 ARG 87 18.226 -9.212 5.460 643 HH21 ARG 87 2HH2 ARG 87 16.760 -11.642 7.503 644 HH22 ARG 87 1HH2 ARG 87 17.934 -10.372 7.414 645 H VAL 88 H VAL 88 12.170 -6.738 5.005 646 HA VAL 88 HA VAL 88 12.791 -6.052 2.206 647 HB VAL 88 HB VAL 88 11.205 -4.203 2.317 648 HG11 VAL 88 1HG1 VAL 88 10.393 -7.011 2.622 649 HG12 VAL 88 2HG1 VAL 88 9.110 -5.826 2.879 650 HG13 VAL 88 3HG1 VAL 88 10.003 -5.845 1.358 651 HG21 VAL 88 1HG2 VAL 88 11.188 -4.897 5.139 652 HG22 VAL 88 2HG2 VAL 88 10.721 -3.395 4.342 653 HG23 VAL 88 3HG2 VAL 88 9.564 -4.719 4.475 654 H TYR 89 H TYR 89 14.729 -5.117 2.227 655 HA TYR 89 HA TYR 89 15.643 -3.598 4.514 656 HB2 TYR 89 1HB TYR 89 17.674 -3.268 2.903 657 HB3 TYR 89 2HB TYR 89 17.386 -4.846 3.627 658 HD1 TYR 89 2HD TYR 89 16.582 -6.708 2.277 659 HD2 TYR 89 1HD TYR 89 17.326 -2.900 0.531 660 HE1 TYR 89 2HE TYR 89 16.519 -7.728 0.040 661 HE2 TYR 89 1HE TYR 89 17.264 -3.909 -1.711 662 HH TYR 89 HH TYR 89 17.741 -6.490 -2.581 663 H ALA 90 H ALA 90 13.377 -2.541 3.067 664 HA ALA 90 HA ALA 90 14.462 -0.185 1.713 665 HB1 ALA 90 1HB ALA 90 12.740 -0.964 0.414 666 HB2 ALA 90 2HB ALA 90 11.787 -1.496 1.800 667 HB3 ALA 90 3HB ALA 90 11.890 0.220 1.407 668 H LEU 91 H LEU 91 14.621 1.727 2.687 669 HA LEU 91 HA LEU 91 13.933 2.045 5.429 670 HB2 LEU 91 1HB LEU 91 14.649 4.245 3.509 671 HB3 LEU 91 2HB LEU 91 14.865 4.221 5.257 672 HG LEU 91 HG LEU 91 16.391 2.533 3.275 673 HD11 LEU 91 1HD1 LEU 91 17.806 4.222 3.060 674 HD12 LEU 91 2HD1 LEU 91 17.997 4.323 4.810 675 HD13 LEU 91 3HD1 LEU 91 16.718 5.235 4.009 676 HD21 LEU 91 1HD2 LEU 91 17.409 1.483 5.000 677 HD22 LEU 91 2HD2 LEU 91 15.887 1.844 5.815 678 HD23 LEU 91 3HD2 LEU 91 17.292 2.882 6.068 679 HA PRO 92 HA PRO 92 9.841 3.624 5.202 680 HB2 PRO 92 1HB PRO 92 9.831 5.305 7.334 681 HB3 PRO 92 2HB PRO 92 9.821 3.545 7.499 682 HG2 PRO 92 1HG PRO 92 12.116 5.455 7.715 683 HG3 PRO 92 2HG PRO 92 11.724 4.057 8.733 684 HD2 PRO 92 1HD PRO 92 13.606 3.960 6.789 685 HD3 PRO 92 2HD PRO 92 12.617 2.554 7.232 686 H GLU 93 H GLU 93 12.553 5.563 4.665 687 HA GLU 93 HA GLU 93 11.061 8.026 4.260 688 HB2 GLU 93 1HB GLU 93 13.974 7.442 3.704 689 HB3 GLU 93 2HB GLU 93 13.214 9.027 3.736 690 HG2 GLU 93 1HG GLU 93 12.928 8.967 6.060 691 HG3 GLU 93 2HG GLU 93 13.224 7.231 6.136 692 H ASP 94 H ASP 94 12.474 5.428 2.401 693 HA ASP 94 HA ASP 94 12.498 6.615 -0.132 694 HB2 ASP 94 1HB ASP 94 11.905 3.708 0.443 695 HB3 ASP 94 2HB ASP 94 12.606 4.385 -1.024 696 H LEU 95 H LEU 95 9.889 5.331 1.774 697 HA LEU 95 HA LEU 95 8.004 5.060 -0.340 698 HB2 LEU 95 1HB LEU 95 7.693 5.324 2.641 699 HB3 LEU 95 2HB LEU 95 6.332 5.085 1.547 700 HG LEU 95 HG LEU 95 8.621 3.143 1.666 701 HD11 LEU 95 1HD1 LEU 95 6.534 3.616 3.653 702 HD12 LEU 95 2HD1 LEU 95 8.030 2.691 3.773 703 HD13 LEU 95 3HD1 LEU 95 6.594 1.956 3.062 704 HD21 LEU 95 1HD2 LEU 95 5.906 2.217 1.132 705 HD22 LEU 95 2HD2 LEU 95 7.405 1.904 0.257 706 HD23 LEU 95 3HD2 LEU 95 6.497 3.385 -0.049 707 H VAL 96 H VAL 96 8.732 7.625 1.987 708 HA VAL 96 HA VAL 96 6.630 9.357 1.400 709 HB VAL 96 HB VAL 96 9.455 10.019 2.240 710 HG11 VAL 96 1HG1 VAL 96 8.818 12.093 1.585 711 HG12 VAL 96 2HG1 VAL 96 7.097 11.723 1.704 712 HG13 VAL 96 3HG1 VAL 96 8.026 12.083 3.160 713 HG21 VAL 96 1HG2 VAL 96 8.796 9.084 4.156 714 HG22 VAL 96 2HG2 VAL 96 7.731 10.477 4.351 715 HG23 VAL 96 3HG2 VAL 96 7.116 8.992 3.625 716 H GLU 97 H GLU 97 9.871 9.176 -0.054 717 HA GLU 97 HA GLU 97 9.317 11.258 -1.948 718 HB2 GLU 97 1HB GLU 97 11.562 9.233 -1.908 719 HB3 GLU 97 2HB GLU 97 11.498 10.680 -2.905 720 HG2 GLU 97 1HG GLU 97 11.296 11.941 -0.666 721 HG3 GLU 97 2HG GLU 97 11.892 10.444 0.048 722 H VAL 98 H VAL 98 8.324 8.107 -1.736 723 HA VAL 98 HA VAL 98 7.320 6.656 -3.174 724 HB VAL 98 HB VAL 98 7.265 8.987 -5.095 725 HG11 VAL 98 1HG1 VAL 98 5.006 7.267 -5.283 726 HG12 VAL 98 2HG1 VAL 98 6.234 7.615 -6.502 727 HG13 VAL 98 3HG1 VAL 98 6.467 6.283 -5.369 728 HG21 VAL 98 1HG2 VAL 98 5.399 9.812 -4.075 729 HG22 VAL 98 2HG2 VAL 98 4.913 8.240 -3.440 730 HG23 VAL 98 3HG2 VAL 98 6.217 9.140 -2.665 731 H LYS 99 H LYS 99 10.202 6.838 -3.137 732 HA LYS 99 HA LYS 99 11.488 6.856 -5.561 733 HB2 LYS 99 1HB LYS 99 11.986 4.920 -3.291 734 HB3 LYS 99 2HB LYS 99 13.125 5.319 -4.571 735 HG2 LYS 99 1HG LYS 99 12.921 7.732 -3.749 736 HG3 LYS 99 2HG LYS 99 12.171 7.038 -2.310 737 HD2 LYS 99 1HD LYS 99 14.112 6.005 -1.632 738 HD3 LYS 99 2HD LYS 99 14.766 5.923 -3.269 739 HE2 LYS 99 1HE LYS 99 14.356 8.569 -1.935 740 HE3 LYS 99 2HE LYS 99 15.780 7.599 -1.561 741 HZ1 LYS 99 1HZ LYS 99 15.052 8.200 -4.357 742 HZ2 LYS 99 2HZ LYS 99 16.558 7.765 -3.723 743 HZ3 LYS 99 3HZ LYS 99 15.936 9.311 -3.436 744 HA PRO 100 HA PRO 100 9.175 3.542 -7.557 745 HB2 PRO 100 1HB PRO 100 10.113 4.089 -10.046 746 HB3 PRO 100 2HB PRO 100 8.800 5.001 -9.292 747 HG2 PRO 100 1HG PRO 100 11.705 5.693 -9.511 748 HG3 PRO 100 2HG PRO 100 10.287 6.731 -9.746 749 HD2 PRO 100 1HD PRO 100 11.736 6.741 -7.459 750 HD3 PRO 100 2HD PRO 100 9.988 7.050 -7.483 751 H LYS 101 H LYS 101 12.352 3.837 -6.765 752 HA LYS 101 HA LYS 101 13.133 1.409 -8.238 753 HB2 LYS 101 1HB LYS 101 14.870 3.551 -6.998 754 HB3 LYS 101 2HB LYS 101 15.473 2.093 -7.775 755 HG2 LYS 101 1HG LYS 101 15.671 3.562 -9.498 756 HG3 LYS 101 2HG LYS 101 14.030 2.982 -9.793 757 HD2 LYS 101 1HD LYS 101 13.883 5.319 -9.967 758 HD3 LYS 101 2HD LYS 101 13.259 4.947 -8.358 759 HE2 LYS 101 1HE LYS 101 15.179 5.736 -7.300 760 HE3 LYS 101 2HE LYS 101 16.151 5.618 -8.766 761 HZ1 LYS 101 1HZ LYS 101 15.717 7.894 -8.418 762 HZ2 LYS 101 2HZ LYS 101 14.071 7.630 -8.131 763 HZ3 LYS 101 3HZ LYS 101 14.701 7.425 -9.687 764 H MET 102 H MET 102 12.327 2.644 -5.194 765 HA MET 102 HA MET 102 13.446 0.248 -3.895 766 HB2 MET 102 1HB MET 102 13.379 3.094 -2.968 767 HB3 MET 102 2HB MET 102 13.317 1.799 -1.780 768 HG2 MET 102 1HG MET 102 15.482 2.217 -3.828 769 HG3 MET 102 2HG MET 102 15.586 2.597 -2.110 770 HE1 MET 102 1HE MET 102 16.722 -0.084 -0.375 771 HE2 MET 102 2HE MET 102 15.587 1.265 -0.355 772 HE3 MET 102 3HE MET 102 14.986 -0.394 -0.335 773 H VAL 103 H VAL 103 10.697 2.035 -4.684 774 HA VAL 103 HA VAL 103 9.068 1.148 -2.464 775 HB VAL 103 HB VAL 103 8.350 2.576 -5.025 776 HG11 VAL 103 1HG1 VAL 103 6.374 1.478 -4.513 777 HG12 VAL 103 2HG1 VAL 103 6.652 1.574 -2.773 778 HG13 VAL 103 3HG1 VAL 103 6.186 3.017 -3.673 779 HG21 VAL 103 1HG2 VAL 103 8.739 4.488 -3.944 780 HG22 VAL 103 2HG2 VAL 103 7.875 3.942 -2.507 781 HG23 VAL 103 3HG2 VAL 103 9.572 3.517 -2.730 782 H MET 104 H MET 104 9.705 0.201 -5.776 783 HA MET 104 HA MET 104 7.517 -1.573 -6.071 784 HB2 MET 104 1HB MET 104 8.479 -2.207 -8.090 785 HB3 MET 104 2HB MET 104 9.102 -0.578 -7.868 786 HG2 MET 104 1HG MET 104 10.998 -1.685 -8.490 787 HG3 MET 104 2HG MET 104 11.103 -1.809 -6.735 788 HE1 MET 104 1HE MET 104 12.861 -4.230 -8.445 789 HE2 MET 104 2HE MET 104 12.775 -3.410 -6.886 790 HE3 MET 104 3HE MET 104 12.497 -5.149 -6.984 791 H THR 105 H THR 105 10.711 -1.893 -4.691 792 HA THR 105 HA THR 105 10.675 -4.752 -4.547 793 HB THR 105 HB THR 105 12.778 -3.404 -4.559 794 HG1 THR 105 1HG THR 105 13.686 -4.668 -2.696 795 HG21 THR 105 1HG2 THR 105 13.234 -2.807 -1.925 796 HG22 THR 105 2HG2 THR 105 11.549 -2.327 -2.130 797 HG23 THR 105 3HG2 THR 105 12.795 -1.638 -3.170 798 H VAL 106 H VAL 106 9.282 -2.239 -2.702 799 HA VAL 106 HA VAL 106 9.188 -3.595 -0.186 800 HB VAL 106 HB VAL 106 7.662 -1.230 -1.266 801 HG11 VAL 106 1HG1 VAL 106 6.960 -0.898 1.131 802 HG12 VAL 106 2HG1 VAL 106 6.176 -2.236 0.287 803 HG13 VAL 106 3HG1 VAL 106 7.481 -2.556 1.430 804 HG21 VAL 106 1HG2 VAL 106 9.211 -0.643 1.029 805 HG22 VAL 106 2HG2 VAL 106 10.228 -1.570 -0.075 806 HG23 VAL 106 3HG2 VAL 106 9.454 -0.084 -0.626 807 H PHE 107 H PHE 107 6.992 -3.251 -2.928 808 HA PHE 107 HA PHE 107 4.849 -4.672 -1.652 809 HB2 PHE 107 1HB PHE 107 5.321 -3.754 -4.486 810 HB3 PHE 107 2HB PHE 107 3.896 -4.675 -4.017 811 HD1 PHE 107 1HD PHE 107 3.026 -3.590 -1.549 812 HD2 PHE 107 2HD PHE 107 4.768 -1.564 -4.863 813 HE1 PHE 107 1HE PHE 107 1.908 -1.509 -0.861 814 HE2 PHE 107 2HE PHE 107 3.653 0.520 -4.179 815 HZ PHE 107 HZ PHE 107 2.222 0.550 -2.176 816 H ALA 108 H ALA 108 7.743 -5.614 -3.034 817 HA ALA 108 HA ALA 108 6.914 -8.041 -4.295 818 HB1 ALA 108 1HB ALA 108 9.536 -8.454 -3.731 819 HB2 ALA 108 2HB ALA 108 8.941 -7.580 -5.143 820 HB3 ALA 108 3HB ALA 108 9.453 -6.692 -3.708 821 H CYS 109 H CYS 109 8.894 -7.563 -1.362 822 HA CYS 109 HA CYS 109 8.928 -10.067 -0.351 823 HB2 CYS 109 1HB CYS 109 9.913 -7.941 0.658 824 HB3 CYS 109 2HB CYS 109 8.347 -7.699 1.424 825 HG CYS 109 HG CYS 109 9.765 -10.712 1.921 826 H LEU 110 H LEU 110 6.246 -7.778 -0.076 827 HA LEU 110 HA LEU 110 4.616 -9.306 1.620 828 HB2 LEU 110 1HB LEU 110 3.914 -7.271 -0.486 829 HB3 LEU 110 2HB LEU 110 2.747 -7.958 0.642 830 HG LEU 110 HG LEU 110 5.172 -6.366 1.468 831 HD11 LEU 110 1HD1 LEU 110 3.757 -4.881 0.268 832 HD12 LEU 110 2HD1 LEU 110 3.476 -4.595 1.985 833 HD13 LEU 110 3HD1 LEU 110 2.312 -5.528 1.045 834 HD21 LEU 110 1HD2 LEU 110 3.521 -8.087 2.913 835 HD22 LEU 110 2HD2 LEU 110 2.956 -6.464 3.309 836 HD23 LEU 110 3HD2 LEU 110 4.648 -6.895 3.561 837 H MET 111 H MET 111 4.420 -8.949 -1.927 838 HA MET 111 HA MET 111 2.430 -10.658 -2.558 839 HB2 MET 111 1HB MET 111 3.554 -9.528 -4.319 840 HB3 MET 111 2HB MET 111 5.091 -10.283 -3.921 841 HG2 MET 111 1HG MET 111 3.924 -12.491 -4.510 842 HG3 MET 111 2HG MET 111 2.709 -11.474 -5.281 843 HE1 MET 111 1HE MET 111 3.119 -9.755 -6.841 844 HE2 MET 111 2HE MET 111 4.746 -9.087 -6.961 845 HE3 MET 111 3HE MET 111 4.092 -10.058 -8.280 846 H GLY 112 H GLY 112 5.791 -11.638 -1.911 847 HA2 GLY 112 1HA GLY 112 5.677 -14.326 -2.379 848 HA3 GLY 112 2HA GLY 112 6.611 -13.620 -1.069 849 H ARG 113 H ARG 113 5.820 -13.681 1.027 850 HA ARG 113 HA ARG 113 4.428 -15.868 1.869 851 HB2 ARG 113 1HB ARG 113 4.789 -13.155 3.102 852 HB3 ARG 113 2HB ARG 113 3.836 -14.386 3.920 853 HG2 ARG 113 1HG ARG 113 5.836 -15.899 3.744 854 HG3 ARG 113 2HG ARG 113 6.750 -14.492 3.198 855 HD2 ARG 113 1HD ARG 113 7.171 -14.504 5.473 856 HD3 ARG 113 2HD ARG 113 5.826 -13.370 5.343 857 HE ARG 113 HE ARG 113 4.627 -15.773 5.788 858 HH11 ARG 113 2HH1 ARG 113 7.089 -13.932 7.422 859 HH12 ARG 113 1HH1 ARG 113 6.682 -14.537 8.994 860 HH21 ARG 113 2HH2 ARG 113 4.082 -16.577 7.852 861 HH22 ARG 113 1HH2 ARG 113 4.972 -16.042 9.237 862 H GLY 114 H GLY 114 3.113 -12.771 0.843 863 HA2 GLY 114 1HA GLY 114 0.483 -13.050 1.728 864 HA3 GLY 114 2HA GLY 114 0.974 -12.131 0.313 865 H MET 115 H MET 115 2.008 -14.268 -1.223 866 HA MET 115 HA MET 115 -0.260 -15.132 -2.571 867 HB2 MET 115 1HB MET 115 2.578 -16.115 -2.523 868 HB3 MET 115 2HB MET 115 1.361 -16.932 -3.495 869 HG2 MET 115 1HG MET 115 1.775 -13.983 -3.742 870 HG3 MET 115 2HG MET 115 2.835 -15.116 -4.576 871 HE1 MET 115 1HE MET 115 2.244 -16.812 -5.994 872 HE2 MET 115 2HE MET 115 0.721 -17.091 -6.837 873 HE3 MET 115 3HE MET 115 1.831 -15.846 -7.411 874 H LYS 116 H LYS 116 -1.804 -16.479 -1.952 875 HA LYS 116 HA LYS 116 -1.330 -18.389 0.178 876 HB2 LYS 116 1HB LYS 116 -3.753 -17.380 -1.267 877 HB3 LYS 116 2HB LYS 116 -3.851 -18.871 -0.340 878 HG2 LYS 116 1HG LYS 116 -2.907 -17.530 1.607 879 HG3 LYS 116 2HG LYS 116 -3.267 -16.098 0.641 880 HD2 LYS 116 1HD LYS 116 -5.215 -16.275 1.828 881 HD3 LYS 116 2HD LYS 116 -5.626 -17.263 0.425 882 HE2 LYS 116 1HE LYS 116 -4.721 -19.232 1.801 883 HE3 LYS 116 2HE LYS 116 -4.838 -18.145 3.184 884 HZ1 LYS 116 1HZ LYS 116 -7.231 -18.102 1.660 885 HZ2 LYS 116 2HZ LYS 116 -7.012 -18.484 3.293 886 HZ3 LYS 116 3HZ LYS 116 -6.853 -19.687 2.114 887 H ARG 117 H ARG 117 -2.359 -18.454 -3.222 888 HA ARG 117 HA ARG 117 -2.444 -21.309 -3.347 889 HB2 ARG 117 1HB ARG 117 -2.676 -20.949 -5.794 890 HB3 ARG 117 2HB ARG 117 -3.830 -20.021 -4.846 891 HG2 ARG 117 1HG ARG 117 -1.940 -18.173 -5.052 892 HG3 ARG 117 2HG ARG 117 -1.556 -19.101 -6.503 893 HD2 ARG 117 1HD ARG 117 -4.399 -18.394 -6.004 894 HD3 ARG 117 2HD ARG 117 -3.308 -17.113 -6.528 895 HE ARG 117 HE ARG 117 -2.806 -19.051 -8.316 896 HH11 ARG 117 2HH1 ARG 117 -5.777 -17.658 -7.152 897 HH12 ARG 117 1HH1 ARG 117 -6.633 -17.920 -8.635 898 HH21 ARG 117 2HH2 ARG 117 -3.923 -19.401 -10.274 899 HH22 ARG 117 1HH2 ARG 117 -5.578 -18.912 -10.410 900 H VAL 118 H VAL 118 -0.692 -22.541 -3.249 901 HA VAL 118 HA VAL 118 1.943 -21.661 -3.591 902 HB VAL 118 HB VAL 118 0.859 -24.474 -3.798 903 HG11 VAL 118 1HG1 VAL 118 3.382 -24.765 -2.905 904 HG12 VAL 118 2HG1 VAL 118 2.931 -24.862 -4.608 905 HG13 VAL 118 3HG1 VAL 118 3.585 -23.361 -3.951 906 HG21 VAL 118 1HG2 VAL 118 1.221 -22.674 -1.581 907 HG22 VAL 118 2HG2 VAL 118 0.496 -24.281 -1.611 908 HG23 VAL 118 3HG2 VAL 118 2.237 -24.103 -1.393 909 H SER 119 H SER 119 3.451 -21.976 -5.245 910 HA SER 119 HA SER 119 2.373 -21.768 -7.895 911 HB2 SER 119 1HB SER 119 4.398 -20.513 -7.057 912 HB3 SER 119 2HB SER 119 5.283 -22.037 -7.118 913 HG SER 119 HG SER 119 4.223 -21.920 -9.435 914 H GLY 120 H GLY 120 1.386 -23.746 -8.339 915 HA2 GLY 120 1HA GLY 120 1.997 -25.627 -9.836 916 HA3 GLY 120 2HA GLY 120 3.264 -26.005 -8.678 917 HA PRO 121 HA PRO 121 -1.024 -27.966 -7.664 918 HB2 PRO 121 1HB PRO 121 -0.929 -30.258 -9.115 919 HB3 PRO 121 2HB PRO 121 -1.666 -28.769 -9.719 920 HG2 PRO 121 1HG PRO 121 1.051 -29.898 -10.272 921 HG3 PRO 121 2HG PRO 121 -0.102 -29.158 -11.396 922 HD2 PRO 121 1HD PRO 121 2.026 -27.814 -10.398 923 HD3 PRO 121 2HD PRO 121 0.490 -27.014 -10.790 924 H SER 122 H SER 122 2.255 -29.020 -7.985 925 HA SER 122 HA SER 122 2.043 -30.486 -5.485 926 HB2 SER 122 1HB SER 122 2.597 -31.764 -8.119 927 HB3 SER 122 2HB SER 122 3.535 -32.317 -6.731 928 HG SER 122 HG SER 122 0.712 -32.116 -6.681 929 H SER 123 H SER 123 3.980 -30.637 -4.358 930 HA SER 123 HA SER 123 5.875 -28.609 -4.858 931 HB2 SER 123 1HB SER 123 5.375 -29.471 -2.597 932 HB3 SER 123 2HB SER 123 6.122 -31.009 -3.027 933 HG SER 123 HG SER 123 7.640 -28.712 -3.425 934 H GLY 124 H GLY 124 8.065 -28.739 -5.452 935 HA2 GLY 124 1HA GLY 124 8.620 -30.546 -7.568 936 HA3 GLY 124 2HA GLY 124 9.759 -29.416 -6.851 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -4.825 -21.256 -14.417 2 HA2 GLY 1 1HA GLY 1 -6.498 -19.696 -15.559 3 HA3 GLY 1 2HA GLY 1 -6.040 -18.572 -14.288 4 H SER 2 H SER 2 -4.553 -17.131 -14.827 5 HA SER 2 HA SER 2 -2.756 -17.759 -17.073 6 HB2 SER 2 1HB SER 2 -2.590 -15.325 -17.424 7 HB3 SER 2 2HB SER 2 -4.264 -15.874 -17.512 8 HG SER 2 HG SER 2 -3.298 -13.991 -15.972 9 H SER 3 H SER 3 -0.786 -18.297 -16.423 10 HA SER 3 HA SER 3 0.626 -16.590 -14.549 11 HB2 SER 3 1HB SER 3 0.202 -19.539 -14.019 12 HB3 SER 3 2HB SER 3 1.371 -18.532 -13.164 13 HG SER 3 HG SER 3 -1.352 -18.700 -12.873 14 H GLY 4 H GLY 4 2.948 -17.066 -14.473 15 HA2 GLY 4 1HA GLY 4 4.301 -18.932 -15.991 16 HA3 GLY 4 2HA GLY 4 3.958 -17.602 -17.087 17 H SER 5 H SER 5 5.138 -15.748 -16.963 18 HA SER 5 HA SER 5 7.477 -15.851 -15.216 19 HB2 SER 5 1HB SER 5 7.938 -15.493 -17.571 20 HB3 SER 5 2HB SER 5 6.842 -14.112 -17.611 21 HG SER 5 HG SER 5 9.424 -14.309 -16.618 22 H SER 6 H SER 6 6.375 -15.263 -13.277 23 HA SER 6 HA SER 6 5.294 -12.545 -13.170 24 HB2 SER 6 1HB SER 6 5.105 -14.942 -11.374 25 HB3 SER 6 2HB SER 6 4.784 -13.333 -10.728 26 HG SER 6 HG SER 6 3.537 -14.051 -13.119 27 H GLY 7 H GLY 7 6.249 -10.905 -12.081 28 HA2 GLY 7 1HA GLY 7 7.829 -10.668 -9.996 29 HA3 GLY 7 2HA GLY 7 8.971 -11.396 -11.117 30 H ASN 8 H ASN 8 7.157 -9.737 -13.150 31 HA ASN 8 HA ASN 8 9.045 -7.587 -13.361 32 HB2 ASN 8 1HB ASN 8 7.683 -8.887 -15.226 33 HB3 ASN 8 2HB ASN 8 6.507 -7.609 -14.935 34 HD21 ASN 8 1HD2 ASN 8 10.046 -7.799 -15.172 35 HD22 ASN 8 2HD2 ASN 8 10.207 -6.508 -16.308 36 H ASP 9 H ASP 9 7.958 -5.335 -13.951 37 HA ASP 9 HA ASP 9 7.038 -4.233 -11.555 38 HB2 ASP 9 1HB ASP 9 6.281 -2.317 -13.202 39 HB3 ASP 9 2HB ASP 9 7.990 -2.646 -12.929 40 H ASP 10 H ASP 10 5.172 -4.518 -14.585 41 HA ASP 10 HA ASP 10 2.696 -3.838 -13.686 42 HB2 ASP 10 1HB ASP 10 3.026 -6.207 -15.512 43 HB3 ASP 10 2HB ASP 10 1.785 -4.956 -15.544 44 H ILE 11 H ILE 11 3.728 -7.247 -13.925 45 HA ILE 11 HA ILE 11 1.743 -8.552 -12.699 46 HB ILE 11 HB ILE 11 4.702 -8.949 -12.359 47 HG12 ILE 11 1HG1 ILE 11 3.958 -11.109 -13.625 48 HG13 ILE 11 2HG1 ILE 11 2.498 -10.190 -13.976 49 HG21 ILE 11 1HG2 ILE 11 3.859 -9.818 -10.330 50 HG22 ILE 11 2HG2 ILE 11 2.471 -10.548 -11.134 51 HG23 ILE 11 3HG2 ILE 11 4.087 -11.203 -11.396 52 HD11 ILE 11 1HD1 ILE 11 4.365 -10.162 -15.704 53 HD12 ILE 11 2HD1 ILE 11 3.661 -8.613 -15.241 54 HD13 ILE 11 3HD1 ILE 11 5.222 -9.104 -14.583 55 H ILE 12 H ILE 12 4.493 -7.305 -10.792 56 HA ILE 12 HA ILE 12 3.531 -7.748 -8.271 57 HB ILE 12 HB ILE 12 5.206 -5.475 -9.312 58 HG12 ILE 12 1HG1 ILE 12 5.936 -7.790 -7.513 59 HG13 ILE 12 2HG1 ILE 12 6.080 -7.846 -9.266 60 HG21 ILE 12 1HG2 ILE 12 4.175 -5.957 -6.550 61 HG22 ILE 12 2HG2 ILE 12 5.767 -5.236 -6.783 62 HG23 ILE 12 3HG2 ILE 12 4.336 -4.443 -7.440 63 HD11 ILE 12 1HD1 ILE 12 8.213 -7.351 -8.253 64 HD12 ILE 12 2HD1 ILE 12 7.644 -5.961 -9.178 65 HD13 ILE 12 3HD1 ILE 12 7.522 -5.959 -7.419 66 H VAL 13 H VAL 13 2.955 -4.855 -10.260 67 HA VAL 13 HA VAL 13 1.406 -3.420 -8.448 68 HB VAL 13 HB VAL 13 1.177 -3.473 -11.460 69 HG11 VAL 13 1HG1 VAL 13 -0.777 -2.510 -10.112 70 HG12 VAL 13 2HG1 VAL 13 0.338 -1.216 -9.669 71 HG13 VAL 13 3HG1 VAL 13 -0.064 -1.494 -11.364 72 HG21 VAL 13 1HG2 VAL 13 3.036 -2.194 -9.565 73 HG22 VAL 13 2HG2 VAL 13 3.275 -2.664 -11.248 74 HG23 VAL 13 3HG2 VAL 13 2.431 -1.164 -10.862 75 H ASN 14 H ASN 14 0.319 -5.642 -11.014 76 HA ASN 14 HA ASN 14 -2.412 -5.481 -10.547 77 HB2 ASN 14 1HB ASN 14 -0.608 -7.512 -11.766 78 HB3 ASN 14 2HB ASN 14 -2.249 -8.016 -11.374 79 HD21 ASN 14 1HD2 ASN 14 -0.306 -5.799 -13.248 80 HD22 ASN 14 2HD2 ASN 14 -1.526 -5.406 -14.407 81 H TRP 15 H TRP 15 0.056 -7.319 -8.874 82 HA TRP 15 HA TRP 15 -1.719 -8.978 -7.397 83 HB2 TRP 15 1HB TRP 15 0.715 -9.453 -7.790 84 HB3 TRP 15 2HB TRP 15 1.096 -8.170 -6.644 85 HD1 TRP 15 HD TRP 15 -0.573 -11.646 -6.758 86 HE1 TRP 15 1HE TRP 15 -0.442 -12.677 -4.403 87 HE3 TRP 15 3HE TRP 15 1.385 -7.656 -4.232 88 HZ2 TRP 15 2HZ TRP 15 0.381 -11.901 -1.817 89 HZ3 TRP 15 3HZ TRP 15 1.814 -7.882 -1.819 90 HH2 TRP 15 HH TRP 15 1.321 -9.962 -0.639 91 H VAL 16 H VAL 16 0.182 -6.112 -6.446 92 HA VAL 16 HA VAL 16 -0.672 -5.796 -3.865 93 HB VAL 16 HB VAL 16 -0.225 -3.576 -5.866 94 HG11 VAL 16 1HG1 VAL 16 -0.238 -2.059 -4.176 95 HG12 VAL 16 2HG1 VAL 16 -1.369 -3.223 -3.484 96 HG13 VAL 16 3HG1 VAL 16 0.320 -3.224 -2.976 97 HG21 VAL 16 1HG2 VAL 16 1.657 -5.172 -5.640 98 HG22 VAL 16 2HG2 VAL 16 2.056 -3.546 -5.087 99 HG23 VAL 16 3HG2 VAL 16 1.711 -4.816 -3.913 100 H ASN 17 H ASN 17 -2.356 -4.843 -6.819 101 HA ASN 17 HA ASN 17 -4.499 -3.525 -5.464 102 HB2 ASN 17 1HB ASN 17 -3.974 -4.384 -8.285 103 HB3 ASN 17 2HB ASN 17 -5.604 -3.907 -7.819 104 HD21 ASN 17 1HD2 ASN 17 -2.291 -2.756 -7.255 105 HD22 ASN 17 2HD2 ASN 17 -2.628 -1.099 -7.608 106 H ARG 18 H ARG 18 -4.021 -6.744 -6.843 107 HA ARG 18 HA ARG 18 -6.647 -7.686 -6.514 108 HB2 ARG 18 1HB ARG 18 -4.707 -8.737 -7.827 109 HB3 ARG 18 2HB ARG 18 -4.198 -9.421 -6.289 110 HG2 ARG 18 1HG ARG 18 -5.445 -11.136 -7.148 111 HG3 ARG 18 2HG ARG 18 -6.659 -10.286 -6.190 112 HD2 ARG 18 1HD ARG 18 -7.560 -9.231 -8.123 113 HD3 ARG 18 2HD ARG 18 -6.211 -9.771 -9.122 114 HE ARG 18 HE ARG 18 -7.680 -11.937 -7.958 115 HH11 ARG 18 2HH1 ARG 18 -7.575 -9.675 -10.601 116 HH12 ARG 18 1HH1 ARG 18 -8.495 -10.681 -11.671 117 HH21 ARG 18 2HH2 ARG 18 -8.892 -13.271 -9.356 118 HH22 ARG 18 1HH2 ARG 18 -9.244 -12.726 -10.961 119 H THR 19 H THR 19 -3.815 -7.883 -4.383 120 HA THR 19 HA THR 19 -4.997 -9.401 -2.345 121 HB THR 19 HB THR 19 -2.840 -7.306 -2.023 122 HG1 THR 19 1HG THR 19 -1.821 -8.662 -3.312 123 HG21 THR 19 1HG2 THR 19 -2.142 -8.756 -0.122 124 HG22 THR 19 2HG2 THR 19 -3.617 -9.696 -0.350 125 HG23 THR 19 3HG2 THR 19 -3.716 -7.997 0.113 126 H LEU 20 H LEU 20 -5.017 -5.945 -2.985 127 HA LEU 20 HA LEU 20 -6.098 -5.127 -0.505 128 HB2 LEU 20 1HB LEU 20 -6.002 -3.899 -3.237 129 HB3 LEU 20 2HB LEU 20 -6.870 -3.116 -1.918 130 HG LEU 20 HG LEU 20 -3.962 -3.846 -1.700 131 HD11 LEU 20 1HD1 LEU 20 -3.293 -2.056 -2.860 132 HD12 LEU 20 2HD1 LEU 20 -4.598 -1.045 -2.242 133 HD13 LEU 20 3HD1 LEU 20 -4.891 -2.126 -3.603 134 HD21 LEU 20 1HD2 LEU 20 -5.136 -1.507 -0.345 135 HD22 LEU 20 2HD2 LEU 20 -3.981 -2.703 0.244 136 HD23 LEU 20 3HD2 LEU 20 -5.704 -3.082 0.208 137 H SER 21 H SER 21 -7.636 -5.729 -3.659 138 HA SER 21 HA SER 21 -10.266 -5.197 -2.885 139 HB2 SER 21 1HB SER 21 -9.232 -5.676 -5.243 140 HB3 SER 21 2HB SER 21 -9.657 -7.349 -4.886 141 HG SER 21 HG SER 21 -11.653 -6.877 -5.302 142 H GLU 22 H GLU 22 -8.428 -8.227 -2.819 143 HA GLU 22 HA GLU 22 -10.279 -10.088 -2.186 144 HB2 GLU 22 1HB GLU 22 -7.498 -9.656 -1.159 145 HB3 GLU 22 2HB GLU 22 -8.466 -10.974 -0.515 146 HG2 GLU 22 1HG GLU 22 -8.832 -11.552 -3.033 147 HG3 GLU 22 2HG GLU 22 -7.370 -10.593 -3.257 148 H ALA 23 H ALA 23 -8.779 -7.883 0.172 149 HA ALA 23 HA ALA 23 -10.514 -8.764 2.293 150 HB1 ALA 23 1HB ALA 23 -8.493 -8.116 3.158 151 HB2 ALA 23 2HB ALA 23 -8.320 -6.767 2.035 152 HB3 ALA 23 3HB ALA 23 -9.432 -6.642 3.398 153 H GLY 24 H GLY 24 -10.340 -6.025 0.085 154 HA2 GLY 24 1HA GLY 24 -12.403 -4.972 -0.616 155 HA3 GLY 24 2HA GLY 24 -13.027 -5.232 1.006 156 H LYS 25 H LYS 25 -9.922 -3.880 -0.060 157 HA LYS 25 HA LYS 25 -10.362 -1.594 1.690 158 HB2 LYS 25 1HB LYS 25 -7.922 -2.272 0.040 159 HB3 LYS 25 2HB LYS 25 -8.020 -1.092 1.340 160 HG2 LYS 25 1HG LYS 25 -8.560 -4.009 1.790 161 HG3 LYS 25 2HG LYS 25 -6.936 -3.322 1.876 162 HD2 LYS 25 1HD LYS 25 -7.403 -2.113 3.776 163 HD3 LYS 25 2HD LYS 25 -9.132 -2.032 3.428 164 HE2 LYS 25 1HE LYS 25 -7.825 -4.653 4.052 165 HE3 LYS 25 2HE LYS 25 -8.286 -3.554 5.351 166 HZ1 LYS 25 1HZ LYS 25 -10.088 -4.726 3.303 167 HZ2 LYS 25 2HZ LYS 25 -10.561 -3.571 4.445 168 HZ3 LYS 25 3HZ LYS 25 -10.053 -5.102 4.952 169 H SER 26 H SER 26 -10.396 0.538 1.017 170 HA SER 26 HA SER 26 -11.225 0.931 -1.743 171 HB2 SER 26 1HB SER 26 -11.469 2.472 0.794 172 HB3 SER 26 2HB SER 26 -11.471 3.385 -0.715 173 HG SER 26 HG SER 26 -13.560 2.504 0.195 174 H THR 27 H THR 27 -8.344 0.594 -0.578 175 HA THR 27 HA THR 27 -7.173 2.979 -1.845 176 HB THR 27 HB THR 27 -5.035 2.140 -0.678 177 HG1 THR 27 1HG THR 27 -6.411 0.106 -0.100 178 HG21 THR 27 1HG2 THR 27 -7.415 3.386 0.630 179 HG22 THR 27 2HG2 THR 27 -5.861 4.104 0.208 180 HG23 THR 27 3HG2 THR 27 -5.987 3.027 1.599 181 H SER 28 H SER 28 -5.381 2.726 -3.263 182 HA SER 28 HA SER 28 -4.408 0.213 -4.118 183 HB2 SER 28 1HB SER 28 -5.460 -0.011 -6.269 184 HB3 SER 28 2HB SER 28 -6.740 0.134 -5.065 185 HG SER 28 HG SER 28 -6.134 1.763 -7.158 186 H ILE 29 H ILE 29 -2.987 0.406 -6.028 187 HA ILE 29 HA ILE 29 -2.107 3.178 -6.493 188 HB ILE 29 HB ILE 29 0.238 2.327 -6.579 189 HG12 ILE 29 1HG1 ILE 29 -0.633 -0.068 -5.018 190 HG13 ILE 29 2HG1 ILE 29 -0.732 -0.127 -6.774 191 HG21 ILE 29 1HG2 ILE 29 0.087 3.380 -4.606 192 HG22 ILE 29 2HG2 ILE 29 -1.439 2.599 -4.196 193 HG23 ILE 29 3HG2 ILE 29 0.085 1.756 -3.919 194 HD11 ILE 29 1HD1 ILE 29 1.649 0.375 -6.924 195 HD12 ILE 29 2HD1 ILE 29 1.747 0.434 -5.164 196 HD13 ILE 29 3HD1 ILE 29 1.349 -1.081 -5.974 197 H GLN 30 H GLN 30 -0.904 3.499 -8.483 198 HA GLN 30 HA GLN 30 -1.909 1.757 -10.605 199 HB2 GLN 30 1HB GLN 30 -0.680 4.516 -10.693 200 HB3 GLN 30 2HB GLN 30 -1.191 3.616 -12.114 201 HG2 GLN 30 1HG GLN 30 -3.459 3.732 -11.500 202 HG3 GLN 30 2HG GLN 30 -3.068 4.269 -9.867 203 HE21 GLN 30 1HE2 GLN 30 -4.533 5.347 -12.402 204 HE22 GLN 30 2HE2 GLN 30 -4.015 6.994 -12.458 205 H SER 31 H SER 31 1.107 3.100 -9.351 206 HA SER 31 HA SER 31 2.618 0.860 -10.233 207 HB2 SER 31 1HB SER 31 4.153 2.285 -11.731 208 HB3 SER 31 2HB SER 31 2.609 1.768 -12.410 209 HG SER 31 HG SER 31 2.029 3.779 -12.551 210 H PHE 32 H PHE 32 5.089 1.444 -10.024 211 HA PHE 32 HA PHE 32 5.452 2.355 -7.353 212 HB2 PHE 32 1HB PHE 32 7.601 1.872 -9.423 213 HB3 PHE 32 2HB PHE 32 7.783 1.846 -7.672 214 HD1 PHE 32 1HD PHE 32 5.925 0.161 -6.555 215 HD2 PHE 32 2HD PHE 32 7.692 -0.182 -10.412 216 HE1 PHE 32 1HE PHE 32 5.475 -2.258 -6.543 217 HE2 PHE 32 2HE PHE 32 7.244 -2.601 -10.406 218 HZ PHE 32 HZ PHE 32 6.133 -3.642 -8.471 219 H LYS 33 H LYS 33 5.019 4.042 -10.160 220 HA LYS 33 HA LYS 33 6.644 6.315 -9.225 221 HB2 LYS 33 1HB LYS 33 5.738 5.488 -11.971 222 HB3 LYS 33 2HB LYS 33 6.219 7.146 -11.636 223 HG2 LYS 33 1HG LYS 33 8.394 6.176 -10.754 224 HG3 LYS 33 2HG LYS 33 7.891 4.658 -11.502 225 HD2 LYS 33 1HD LYS 33 9.222 5.681 -13.130 226 HD3 LYS 33 2HD LYS 33 7.571 6.044 -13.638 227 HE2 LYS 33 1HE LYS 33 7.715 8.265 -12.840 228 HE3 LYS 33 2HE LYS 33 9.195 7.926 -11.945 229 HZ1 LYS 33 1HZ LYS 33 10.378 8.482 -13.714 230 HZ2 LYS 33 2HZ LYS 33 8.960 8.894 -14.539 231 HZ3 LYS 33 3HZ LYS 33 9.589 7.329 -14.669 232 H ASP 34 H ASP 34 3.882 5.413 -8.419 233 HA ASP 34 HA ASP 34 2.236 7.626 -9.372 234 HB2 ASP 34 1HB ASP 34 1.454 5.163 -9.056 235 HB3 ASP 34 2HB ASP 34 1.345 5.591 -7.351 236 H LYS 35 H LYS 35 1.408 9.231 -8.057 237 HA LYS 35 HA LYS 35 3.002 9.861 -5.733 238 HB2 LYS 35 1HB LYS 35 0.640 11.391 -6.827 239 HB3 LYS 35 2HB LYS 35 1.904 11.998 -5.765 240 HG2 LYS 35 1HG LYS 35 2.348 11.060 -8.591 241 HG3 LYS 35 2HG LYS 35 2.139 12.744 -8.105 242 HD2 LYS 35 1HD LYS 35 4.254 11.024 -6.856 243 HD3 LYS 35 2HD LYS 35 4.534 11.834 -8.399 244 HE2 LYS 35 1HE LYS 35 5.366 13.343 -6.835 245 HE3 LYS 35 2HE LYS 35 3.752 13.961 -7.182 246 HZ1 LYS 35 1HZ LYS 35 4.775 13.365 -4.711 247 HZ2 LYS 35 2HZ LYS 35 3.718 12.086 -5.038 248 HZ3 LYS 35 3HZ LYS 35 3.154 13.681 -5.077 249 H THR 36 H THR 36 0.866 7.645 -5.867 250 HA THR 36 HA THR 36 -0.837 8.518 -3.643 251 HB THR 36 HB THR 36 -2.192 6.537 -4.084 252 HG1 THR 36 1HG THR 36 -0.140 5.982 -5.967 253 HG21 THR 36 1HG2 THR 36 -3.073 7.155 -6.255 254 HG22 THR 36 2HG2 THR 36 -1.575 7.995 -6.656 255 HG23 THR 36 3HG2 THR 36 -2.615 8.610 -5.371 256 H ILE 37 H ILE 37 2.069 7.045 -4.084 257 HA ILE 37 HA ILE 37 1.776 5.031 -2.006 258 HB ILE 37 HB ILE 37 4.284 5.869 -3.463 259 HG12 ILE 37 1HG1 ILE 37 2.525 3.486 -4.058 260 HG13 ILE 37 2HG1 ILE 37 2.410 5.009 -4.934 261 HG21 ILE 37 1HG2 ILE 37 4.487 3.217 -2.712 262 HG22 ILE 37 2HG2 ILE 37 5.264 4.590 -1.925 263 HG23 ILE 37 3HG2 ILE 37 3.717 3.991 -1.327 264 HD11 ILE 37 1HD1 ILE 37 5.126 4.234 -4.933 265 HD12 ILE 37 2HD1 ILE 37 4.161 2.827 -5.381 266 HD13 ILE 37 3HD1 ILE 37 4.007 4.328 -6.293 267 H SER 38 H SER 38 3.028 8.255 -2.427 268 HA SER 38 HA SER 38 4.727 8.447 -0.228 269 HB2 SER 38 1HB SER 38 4.317 10.875 -0.337 270 HB3 SER 38 2HB SER 38 4.568 10.194 -1.944 271 HG SER 38 HG SER 38 2.148 11.016 -0.737 272 H SER 39 H SER 39 1.262 8.384 -0.403 273 HA SER 39 HA SER 39 0.840 9.414 2.249 274 HB2 SER 39 1HB SER 39 -1.489 8.978 1.871 275 HB3 SER 39 2HB SER 39 -0.825 9.602 0.361 276 HG SER 39 HG SER 39 -0.502 7.131 0.031 277 H SER 40 H SER 40 1.849 6.465 1.000 278 HA SER 40 HA SER 40 2.020 4.344 1.822 279 HB2 SER 40 1HB SER 40 1.954 5.696 4.526 280 HB3 SER 40 2HB SER 40 2.746 4.178 4.104 281 HG SER 40 HG SER 40 3.460 6.549 2.775 282 H LEU 41 H LEU 41 -0.679 5.375 1.408 283 HA LEU 41 HA LEU 41 -2.243 4.167 3.546 284 HB2 LEU 41 1HB LEU 41 -3.140 5.508 0.999 285 HB3 LEU 41 2HB LEU 41 -4.182 5.008 2.329 286 HG LEU 41 HG LEU 41 -2.050 7.136 2.504 287 HD11 LEU 41 1HD1 LEU 41 -4.604 8.211 2.917 288 HD12 LEU 41 2HD1 LEU 41 -4.721 7.218 1.464 289 HD13 LEU 41 3HD1 LEU 41 -3.516 8.502 1.559 290 HD21 LEU 41 1HD2 LEU 41 -3.348 7.663 4.627 291 HD22 LEU 41 2HD2 LEU 41 -2.327 6.225 4.653 292 HD23 LEU 41 3HD2 LEU 41 -4.072 6.065 4.451 293 H ALA 42 H ALA 42 -1.372 3.599 0.192 294 HA ALA 42 HA ALA 42 -3.149 1.368 -0.140 295 HB1 ALA 42 1HB ALA 42 -2.558 2.632 -2.084 296 HB2 ALA 42 2HB ALA 42 -0.838 2.363 -1.799 297 HB3 ALA 42 3HB ALA 42 -1.878 1.013 -2.254 298 H VAL 43 H VAL 43 0.093 1.840 1.004 299 HA VAL 43 HA VAL 43 0.945 -0.875 0.693 300 HB VAL 43 HB VAL 43 2.075 1.266 2.501 301 HG11 VAL 43 1HG1 VAL 43 2.636 -1.243 2.850 302 HG12 VAL 43 2HG1 VAL 43 3.604 -1.050 1.387 303 HG13 VAL 43 3HG1 VAL 43 3.945 -0.063 2.808 304 HG21 VAL 43 1HG2 VAL 43 1.989 1.199 -0.291 305 HG22 VAL 43 2HG2 VAL 43 2.994 2.234 0.722 306 HG23 VAL 43 3HG2 VAL 43 3.622 0.692 0.142 307 H VAL 44 H VAL 44 0.007 1.080 3.524 308 HA VAL 44 HA VAL 44 0.143 -0.940 5.435 309 HB VAL 44 HB VAL 44 -1.754 1.411 5.382 310 HG11 VAL 44 1HG1 VAL 44 -1.120 -0.650 7.418 311 HG12 VAL 44 2HG1 VAL 44 -1.328 1.012 7.975 312 HG13 VAL 44 3HG1 VAL 44 -2.630 0.204 7.100 313 HG21 VAL 44 1HG2 VAL 44 0.738 1.871 5.178 314 HG22 VAL 44 2HG2 VAL 44 -0.106 2.662 6.510 315 HG23 VAL 44 3HG2 VAL 44 0.882 1.233 6.816 316 H ASP 45 H ASP 45 -2.545 0.035 3.348 317 HA ASP 45 HA ASP 45 -4.486 -1.678 4.455 318 HB2 ASP 45 1HB ASP 45 -4.184 -0.201 1.879 319 HB3 ASP 45 2HB ASP 45 -5.420 -1.452 1.981 320 H LEU 46 H LEU 46 -1.990 -2.180 2.049 321 HA LEU 46 HA LEU 46 -2.903 -4.589 0.950 322 HB2 LEU 46 1HB LEU 46 -1.079 -3.241 0.009 323 HB3 LEU 46 2HB LEU 46 -0.060 -3.677 1.380 324 HG LEU 46 HG LEU 46 -0.403 -6.105 0.589 325 HD11 LEU 46 1HD1 LEU 46 -2.234 -5.510 -0.994 326 HD12 LEU 46 2HD1 LEU 46 -0.916 -6.427 -1.722 327 HD13 LEU 46 3HD1 LEU 46 -1.035 -4.688 -1.993 328 HD21 LEU 46 1HD2 LEU 46 1.637 -5.984 -0.370 329 HD22 LEU 46 2HD2 LEU 46 1.581 -4.329 0.237 330 HD23 LEU 46 3HD2 LEU 46 1.175 -4.666 -1.447 331 H ILE 47 H ILE 47 -0.664 -4.018 3.658 332 HA ILE 47 HA ILE 47 -0.122 -6.668 4.298 333 HB ILE 47 HB ILE 47 -0.330 -4.298 6.159 334 HG12 ILE 47 1HG1 ILE 47 2.238 -5.508 5.224 335 HG13 ILE 47 2HG1 ILE 47 1.356 -4.451 4.127 336 HG21 ILE 47 1HG2 ILE 47 -0.110 -5.772 7.811 337 HG22 ILE 47 2HG2 ILE 47 0.146 -7.101 6.682 338 HG23 ILE 47 3HG2 ILE 47 1.508 -6.104 7.192 339 HD11 ILE 47 1HD1 ILE 47 1.567 -2.612 5.574 340 HD12 ILE 47 2HD1 ILE 47 2.088 -3.630 6.917 341 HD13 ILE 47 3HD1 ILE 47 3.153 -3.381 5.534 342 H ASP 48 H ASP 48 -2.741 -4.570 5.456 343 HA ASP 48 HA ASP 48 -3.914 -6.132 7.360 344 HB2 ASP 48 1HB ASP 48 -4.725 -3.895 6.734 345 HB3 ASP 48 2HB ASP 48 -5.364 -4.548 5.228 346 H ALA 49 H ALA 49 -4.687 -6.263 3.880 347 HA ALA 49 HA ALA 49 -6.499 -8.315 3.865 348 HB1 ALA 49 1HB ALA 49 -4.668 -7.141 1.932 349 HB2 ALA 49 2HB ALA 49 -5.019 -8.839 1.606 350 HB3 ALA 49 3HB ALA 49 -6.338 -7.674 1.734 351 H ILE 50 H ILE 50 -2.962 -8.665 3.576 352 HA ILE 50 HA ILE 50 -2.917 -11.467 3.521 353 HB ILE 50 HB ILE 50 -0.768 -9.655 4.624 354 HG12 ILE 50 1HG1 ILE 50 -0.984 -10.692 1.800 355 HG13 ILE 50 2HG1 ILE 50 -1.640 -9.130 2.279 356 HG21 ILE 50 1HG2 ILE 50 -0.489 -12.042 5.143 357 HG22 ILE 50 2HG2 ILE 50 -0.583 -12.414 3.422 358 HG23 ILE 50 3HG2 ILE 50 0.756 -11.450 4.044 359 HD11 ILE 50 1HD1 ILE 50 0.490 -8.743 1.329 360 HD12 ILE 50 2HD1 ILE 50 0.659 -8.525 3.071 361 HD13 ILE 50 3HD1 ILE 50 1.231 -10.008 2.308 362 H GLN 51 H GLN 51 -2.285 -9.272 6.263 363 HA GLN 51 HA GLN 51 -3.215 -11.403 8.062 364 HB2 GLN 51 1HB GLN 51 -0.780 -11.354 8.169 365 HB3 GLN 51 2HB GLN 51 -0.808 -9.623 8.482 366 HG2 GLN 51 1HG GLN 51 -0.511 -10.436 10.593 367 HG3 GLN 51 2HG GLN 51 -2.269 -10.317 10.533 368 HE21 GLN 51 1HE2 GLN 51 0.035 -12.172 11.688 369 HE22 GLN 51 2HE2 GLN 51 -0.678 -13.739 11.538 370 HA PRO 52 HA PRO 52 -5.624 -7.574 8.872 371 HB2 PRO 52 1HB PRO 52 -7.928 -8.895 9.437 372 HB3 PRO 52 2HB PRO 52 -7.434 -8.486 7.789 373 HG2 PRO 52 1HG PRO 52 -7.170 -11.082 9.257 374 HG3 PRO 52 2HG PRO 52 -7.671 -10.790 7.581 375 HD2 PRO 52 1HD PRO 52 -5.171 -11.597 8.234 376 HD3 PRO 52 2HD PRO 52 -5.502 -10.546 6.842 377 H GLY 53 H GLY 53 -6.779 -6.908 10.838 378 HA2 GLY 53 1HA GLY 53 -7.248 -6.999 13.122 379 HA3 GLY 53 2HA GLY 53 -6.496 -8.586 13.188 380 H CYS 54 H CYS 54 -4.107 -7.405 11.738 381 HA CYS 54 HA CYS 54 -2.729 -6.559 14.147 382 HB2 CYS 54 1HB CYS 54 -0.721 -7.009 13.008 383 HB3 CYS 54 2HB CYS 54 -1.833 -8.243 12.430 384 HG CYS 54 HG CYS 54 -1.242 -7.786 9.980 385 H ILE 55 H ILE 55 -3.588 -5.259 10.983 386 HA ILE 55 HA ILE 55 -2.163 -2.821 11.253 387 HB ILE 55 HB ILE 55 -4.568 -3.442 9.534 388 HG12 ILE 55 1HG1 ILE 55 -2.516 -4.863 9.179 389 HG13 ILE 55 2HG1 ILE 55 -3.019 -3.930 7.774 390 HG21 ILE 55 1HG2 ILE 55 -4.499 -1.364 8.736 391 HG22 ILE 55 2HG2 ILE 55 -3.463 -0.971 10.107 392 HG23 ILE 55 3HG2 ILE 55 -2.745 -1.413 8.559 393 HD11 ILE 55 1HD1 ILE 55 -1.122 -2.480 9.403 394 HD12 ILE 55 2HD1 ILE 55 -0.489 -4.036 8.865 395 HD13 ILE 55 3HD1 ILE 55 -1.078 -2.867 7.684 396 H ASN 56 H ASN 56 -2.558 -1.341 12.753 397 HA ASN 56 HA ASN 56 -5.307 -0.968 13.710 398 HB2 ASN 56 1HB ASN 56 -3.281 -1.396 15.274 399 HB3 ASN 56 2HB ASN 56 -2.878 0.289 14.958 400 HD21 ASN 56 1HD2 ASN 56 -3.405 -0.540 17.492 401 HD22 ASN 56 2HD2 ASN 56 -4.912 0.116 18.027 402 H TYR 57 H TYR 57 -6.179 0.335 12.126 403 HA TYR 57 HA TYR 57 -4.953 2.522 10.904 404 HB2 TYR 57 1HB TYR 57 -7.862 1.917 11.437 405 HB3 TYR 57 2HB TYR 57 -7.333 3.298 10.483 406 HD1 TYR 57 2HD TYR 57 -5.218 2.298 8.824 407 HD2 TYR 57 1HD TYR 57 -8.798 0.342 10.032 408 HE1 TYR 57 2HE TYR 57 -5.112 0.878 6.819 409 HE2 TYR 57 1HE TYR 57 -8.701 -1.085 8.031 410 HH TYR 57 HH TYR 57 -6.489 -1.847 6.422 411 H ASP 58 H ASP 58 -6.753 2.288 13.920 412 HA ASP 58 HA ASP 58 -7.344 4.812 14.616 413 HB2 ASP 58 1HB ASP 58 -5.992 2.715 16.316 414 HB3 ASP 58 2HB ASP 58 -6.630 4.219 16.974 415 H LEU 59 H LEU 59 -4.108 3.488 14.363 416 HA LEU 59 HA LEU 59 -2.919 5.967 15.333 417 HB2 LEU 59 1HB LEU 59 -1.490 3.532 14.297 418 HB3 LEU 59 2HB LEU 59 -0.834 4.825 15.300 419 HG LEU 59 HG LEU 59 -2.990 2.966 16.273 420 HD11 LEU 59 1HD1 LEU 59 -0.672 1.948 15.503 421 HD12 LEU 59 2HD1 LEU 59 -1.481 1.413 16.976 422 HD13 LEU 59 3HD1 LEU 59 -0.158 2.574 17.070 423 HD21 LEU 59 1HD2 LEU 59 -0.966 4.286 18.000 424 HD22 LEU 59 2HD2 LEU 59 -2.651 3.883 18.333 425 HD23 LEU 59 3HD2 LEU 59 -2.259 5.280 17.328 426 H VAL 60 H VAL 60 -3.316 4.128 12.368 427 HA VAL 60 HA VAL 60 -1.537 5.574 10.742 428 HB VAL 60 HB VAL 60 -4.084 4.158 9.944 429 HG11 VAL 60 1HG1 VAL 60 -1.747 4.624 8.139 430 HG12 VAL 60 2HG1 VAL 60 -3.430 4.288 7.728 431 HG13 VAL 60 3HG1 VAL 60 -2.972 5.876 8.346 432 HG21 VAL 60 1HG2 VAL 60 -1.662 2.792 9.252 433 HG22 VAL 60 2HG2 VAL 60 -1.681 3.134 10.981 434 HG23 VAL 60 3HG2 VAL 60 -3.009 2.237 10.246 435 H LYS 61 H LYS 61 -1.770 7.366 9.467 436 HA LYS 61 HA LYS 61 -4.035 9.100 10.119 437 HB2 LYS 61 1HB LYS 61 -1.252 9.549 9.135 438 HB3 LYS 61 2HB LYS 61 -2.480 10.745 8.742 439 HG2 LYS 61 1HG LYS 61 -2.067 9.825 11.561 440 HG3 LYS 61 2HG LYS 61 -1.064 11.091 10.849 441 HD2 LYS 61 1HD LYS 61 -2.975 12.474 10.448 442 HD3 LYS 61 2HD LYS 61 -4.077 11.172 10.901 443 HE2 LYS 61 1HE LYS 61 -3.351 11.270 13.182 444 HE3 LYS 61 2HE LYS 61 -2.062 12.401 12.775 445 HZ1 LYS 61 1HZ LYS 61 -4.746 13.242 12.061 446 HZ2 LYS 61 2HZ LYS 61 -3.476 14.131 12.735 447 HZ3 LYS 61 3HZ LYS 61 -4.434 13.146 13.721 448 H SER 62 H SER 62 -4.479 10.697 8.144 449 HA SER 62 HA SER 62 -4.387 9.624 5.529 450 HB2 SER 62 1HB SER 62 -6.855 9.187 5.290 451 HB3 SER 62 2HB SER 62 -6.002 8.012 6.290 452 HG SER 62 HG SER 62 -8.094 9.019 7.066 453 H GLY 63 H GLY 63 -5.833 10.879 4.011 454 HA2 GLY 63 1HA GLY 63 -6.920 12.841 3.366 455 HA3 GLY 63 2HA GLY 63 -6.821 13.412 5.025 456 H ASN 64 H ASN 64 -5.880 15.358 4.861 457 HA ASN 64 HA ASN 64 -3.780 15.898 2.984 458 HB2 ASN 64 1HB ASN 64 -5.197 17.459 5.109 459 HB3 ASN 64 2HB ASN 64 -3.674 18.072 4.471 460 HD21 ASN 64 1HD2 ASN 64 -6.999 17.836 4.011 461 HD22 ASN 64 2HD2 ASN 64 -7.078 18.491 2.414 462 H LEU 65 H LEU 65 -2.221 14.309 3.605 463 HA LEU 65 HA LEU 65 -1.017 14.461 6.225 464 HB2 LEU 65 1HB LEU 65 0.042 12.974 3.838 465 HB3 LEU 65 2HB LEU 65 0.352 12.653 5.543 466 HG LEU 65 HG LEU 65 -2.337 12.293 4.228 467 HD11 LEU 65 1HD1 LEU 65 -0.015 10.723 3.908 468 HD12 LEU 65 2HD1 LEU 65 -1.661 10.358 3.391 469 HD13 LEU 65 3HD1 LEU 65 -1.100 9.838 4.980 470 HD21 LEU 65 1HD2 LEU 65 -2.829 12.419 6.451 471 HD22 LEU 65 2HD2 LEU 65 -1.230 11.869 6.953 472 HD23 LEU 65 3HD2 LEU 65 -2.412 10.709 6.345 473 H THR 66 H THR 66 0.247 16.138 6.685 474 HA THR 66 HA THR 66 1.556 17.759 4.796 475 HB THR 66 HB THR 66 2.762 18.738 6.704 476 HG1 THR 66 1HG THR 66 2.965 17.668 8.526 477 HG21 THR 66 1HG2 THR 66 -0.173 18.303 6.742 478 HG22 THR 66 2HG2 THR 66 0.748 19.801 6.607 479 HG23 THR 66 3HG2 THR 66 0.553 19.024 8.177 480 H GLU 67 H GLU 67 4.076 18.189 5.296 481 HA GLU 67 HA GLU 67 5.471 16.125 4.048 482 HB2 GLU 67 1HB GLU 67 7.521 17.351 4.737 483 HB3 GLU 67 2HB GLU 67 6.309 18.383 3.991 484 HG2 GLU 67 1HG GLU 67 5.645 19.244 6.131 485 HG3 GLU 67 2HG GLU 67 6.709 18.109 6.960 486 H ASP 68 H ASP 68 4.565 16.499 7.324 487 HA ASP 68 HA ASP 68 6.551 14.553 8.243 488 HB2 ASP 68 1HB ASP 68 5.971 16.731 9.505 489 HB3 ASP 68 2HB ASP 68 4.497 15.895 9.985 490 H ASP 69 H ASP 69 3.030 15.080 8.448 491 HA ASP 69 HA ASP 69 2.194 12.755 9.570 492 HB2 ASP 69 1HB ASP 69 0.910 14.107 7.186 493 HB3 ASP 69 2HB ASP 69 0.112 12.977 8.276 494 H LYS 70 H LYS 70 2.872 13.215 6.108 495 HA LYS 70 HA LYS 70 2.256 10.695 5.177 496 HB2 LYS 70 1HB LYS 70 4.346 12.683 4.324 497 HB3 LYS 70 2HB LYS 70 4.142 11.153 3.480 498 HG2 LYS 70 1HG LYS 70 1.805 11.736 3.013 499 HG3 LYS 70 2HG LYS 70 2.043 13.286 3.825 500 HD2 LYS 70 1HD LYS 70 3.600 14.004 2.181 501 HD3 LYS 70 2HD LYS 70 3.707 12.388 1.481 502 HE2 LYS 70 1HE LYS 70 1.288 12.576 0.882 503 HE3 LYS 70 2HE LYS 70 1.340 14.254 1.421 504 HZ1 LYS 70 1HZ LYS 70 2.806 14.826 -0.292 505 HZ2 LYS 70 2HZ LYS 70 1.657 13.833 -1.037 506 HZ3 LYS 70 3HZ LYS 70 3.183 13.216 -0.647 507 H HIS 71 H HIS 71 5.370 11.819 6.478 508 HA HIS 71 HA HIS 71 6.845 9.502 6.160 509 HB2 HIS 71 1HB HIS 71 6.954 11.804 8.043 510 HB3 HIS 71 2HB HIS 71 7.911 10.381 8.446 511 HD1 HIS 71 1HD HIS 71 10.168 10.305 7.433 512 HD2 HIS 71 2HD HIS 71 7.599 12.787 5.311 513 HE1 HIS 71 1HE HIS 71 11.581 11.362 5.641 514 HE2 HIS 71 2HE HIS 71 10.025 12.924 4.424 515 H ASN 72 H ASN 72 4.767 10.431 8.887 516 HA ASN 72 HA ASN 72 5.246 8.215 10.513 517 HB2 ASN 72 1HB ASN 72 2.942 10.118 10.235 518 HB3 ASN 72 2HB ASN 72 2.817 8.737 11.320 519 HD21 ASN 72 1HD2 ASN 72 4.022 11.875 10.878 520 HD22 ASN 72 2HD2 ASN 72 4.886 12.011 12.368 521 H ASN 73 H ASN 73 2.875 8.688 7.928 522 HA ASN 73 HA ASN 73 1.490 6.266 8.261 523 HB2 ASN 73 1HB ASN 73 1.906 7.978 5.802 524 HB3 ASN 73 2HB ASN 73 0.792 6.616 5.874 525 HD21 ASN 73 1HD2 ASN 73 -1.204 7.312 6.025 526 HD22 ASN 73 2HD2 ASN 73 -1.757 8.625 7.002 527 H ALA 74 H ALA 74 4.520 7.029 6.736 528 HA ALA 74 HA ALA 74 4.726 4.603 5.227 529 HB1 ALA 74 1HB ALA 74 6.153 7.029 5.403 530 HB2 ALA 74 2HB ALA 74 7.292 5.731 5.765 531 HB3 ALA 74 3HB ALA 74 6.382 5.710 4.254 532 H LYS 75 H LYS 75 6.479 5.787 8.104 533 HA LYS 75 HA LYS 75 7.974 3.640 8.770 534 HB2 LYS 75 1HB LYS 75 6.320 5.243 10.729 535 HB3 LYS 75 2HB LYS 75 7.741 4.285 11.125 536 HG2 LYS 75 1HG LYS 75 9.170 5.751 9.923 537 HG3 LYS 75 2HG LYS 75 7.798 6.602 9.209 538 HD2 LYS 75 1HD LYS 75 7.201 6.999 11.764 539 HD3 LYS 75 2HD LYS 75 8.944 6.789 11.945 540 HE2 LYS 75 1HE LYS 75 7.932 8.612 9.819 541 HE3 LYS 75 2HE LYS 75 7.886 9.161 11.493 542 HZ1 LYS 75 1HZ LYS 75 10.087 9.424 11.540 543 HZ2 LYS 75 2HZ LYS 75 10.015 9.369 9.851 544 HZ3 LYS 75 3HZ LYS 75 10.393 7.972 10.728 545 H TYR 76 H TYR 76 4.705 4.075 10.136 546 HA TYR 76 HA TYR 76 4.332 1.689 11.350 547 HB2 TYR 76 1HB TYR 76 2.690 3.658 11.056 548 HB3 TYR 76 2HB TYR 76 2.147 2.812 9.612 549 HD1 TYR 76 1HD TYR 76 3.055 1.675 13.058 550 HD2 TYR 76 2HD TYR 76 0.108 1.808 9.992 551 HE1 TYR 76 1HE TYR 76 1.565 0.288 14.439 552 HE2 TYR 76 2HE TYR 76 -1.390 0.422 11.364 553 HH TYR 76 HH TYR 76 -0.901 -0.131 14.636 554 H ALA 77 H ALA 77 3.784 2.308 7.893 555 HA ALA 77 HA ALA 77 2.915 -0.231 7.157 556 HB1 ALA 77 1HB ALA 77 2.689 0.906 5.264 557 HB2 ALA 77 2HB ALA 77 3.806 2.153 5.820 558 HB3 ALA 77 3HB ALA 77 4.424 0.718 5.002 559 H VAL 78 H VAL 78 6.209 1.060 7.371 560 HA VAL 78 HA VAL 78 7.560 -1.161 6.326 561 HB VAL 78 HB VAL 78 8.542 0.783 8.421 562 HG11 VAL 78 1HG1 VAL 78 9.918 -1.271 6.728 563 HG12 VAL 78 2HG1 VAL 78 10.780 0.153 7.313 564 HG13 VAL 78 3HG1 VAL 78 10.064 -0.979 8.461 565 HG21 VAL 78 1HG2 VAL 78 9.294 2.172 6.699 566 HG22 VAL 78 2HG2 VAL 78 9.103 0.916 5.476 567 HG23 VAL 78 3HG2 VAL 78 7.681 1.687 6.178 568 H SER 79 H SER 79 7.050 -0.273 9.745 569 HA SER 79 HA SER 79 8.141 -2.588 10.858 570 HB2 SER 79 1HB SER 79 6.863 -1.996 12.891 571 HB3 SER 79 2HB SER 79 7.670 -0.592 12.191 572 HG SER 79 HG SER 79 5.654 -0.052 11.211 573 H MET 80 H MET 80 4.832 -1.876 9.831 574 HA MET 80 HA MET 80 3.626 -4.220 10.795 575 HB2 MET 80 1HB MET 80 2.921 -2.386 8.508 576 HB3 MET 80 2HB MET 80 1.914 -3.751 8.973 577 HG2 MET 80 1HG MET 80 2.684 -1.849 11.103 578 HG3 MET 80 2HG MET 80 1.527 -1.293 9.896 579 HE1 MET 80 1HE MET 80 2.203 -4.570 12.154 580 HE2 MET 80 2HE MET 80 0.642 -5.335 11.859 581 HE3 MET 80 3HE MET 80 1.734 -5.011 10.512 582 H ALA 81 H ALA 81 4.922 -3.467 7.565 583 HA ALA 81 HA ALA 81 4.372 -5.809 6.249 584 HB1 ALA 81 1HB ALA 81 6.733 -5.307 5.151 585 HB2 ALA 81 2HB ALA 81 5.324 -4.290 4.846 586 HB3 ALA 81 3HB ALA 81 6.534 -3.789 6.028 587 H ARG 82 H ARG 82 7.334 -5.121 8.116 588 HA ARG 82 HA ARG 82 8.402 -7.723 7.867 589 HB2 ARG 82 1HB ARG 82 9.891 -7.041 9.745 590 HB3 ARG 82 2HB ARG 82 9.851 -5.884 8.421 591 HG2 ARG 82 1HG ARG 82 8.235 -4.527 9.717 592 HG3 ARG 82 2HG ARG 82 8.426 -5.654 11.062 593 HD2 ARG 82 1HD ARG 82 10.654 -4.062 9.799 594 HD3 ARG 82 2HD ARG 82 9.824 -3.631 11.293 595 HE ARG 82 HE ARG 82 10.784 -6.221 11.598 596 HH11 ARG 82 2HH1 ARG 82 12.052 -3.012 11.136 597 HH12 ARG 82 1HH1 ARG 82 13.526 -3.330 11.989 598 HH21 ARG 82 2HH2 ARG 82 12.721 -6.653 12.724 599 HH22 ARG 82 1HH2 ARG 82 13.906 -5.402 12.891 600 H ARG 83 H ARG 83 6.617 -6.147 10.509 601 HA ARG 83 HA ARG 83 6.624 -8.011 12.458 602 HB2 ARG 83 1HB ARG 83 4.520 -6.153 11.467 603 HB3 ARG 83 2HB ARG 83 4.040 -7.375 12.637 604 HG2 ARG 83 1HG ARG 83 6.170 -6.470 13.915 605 HG3 ARG 83 2HG ARG 83 5.816 -5.026 12.965 606 HD2 ARG 83 1HD ARG 83 4.555 -4.618 14.835 607 HD3 ARG 83 2HD ARG 83 3.373 -5.445 13.821 608 HE ARG 83 HE ARG 83 4.497 -7.461 15.234 609 HH11 ARG 83 2HH1 ARG 83 3.056 -4.421 16.129 610 HH12 ARG 83 1HH1 ARG 83 2.488 -4.993 17.663 611 HH21 ARG 83 2HH2 ARG 83 3.754 -8.226 17.250 612 HH22 ARG 83 1HH2 ARG 83 2.886 -7.157 18.300 613 H ILE 84 H ILE 84 4.313 -8.041 9.742 614 HA ILE 84 HA ILE 84 3.148 -10.520 10.396 615 HB ILE 84 HB ILE 84 2.339 -10.536 8.038 616 HG12 ILE 84 1HG1 ILE 84 3.757 -7.878 7.805 617 HG13 ILE 84 2HG1 ILE 84 4.397 -9.376 7.137 618 HG21 ILE 84 1HG2 ILE 84 1.114 -8.286 8.263 619 HG22 ILE 84 2HG2 ILE 84 0.897 -9.488 9.534 620 HG23 ILE 84 3HG2 ILE 84 1.990 -8.127 9.785 621 HD11 ILE 84 1HD1 ILE 84 2.277 -7.630 6.152 622 HD12 ILE 84 2HD1 ILE 84 3.321 -8.758 5.286 623 HD13 ILE 84 3HD1 ILE 84 1.879 -9.347 6.112 624 H GLY 85 H GLY 85 6.040 -9.670 8.651 625 HA2 GLY 85 1HA GLY 85 7.645 -11.666 8.793 626 HA3 GLY 85 2HA GLY 85 6.402 -12.485 7.858 627 H ALA 86 H ALA 86 8.678 -9.783 7.813 628 HA ALA 86 HA ALA 86 9.184 -10.260 5.003 629 HB1 ALA 86 1HB ALA 86 7.225 -8.479 5.498 630 HB2 ALA 86 2HB ALA 86 8.632 -7.415 5.532 631 HB3 ALA 86 3HB ALA 86 8.300 -8.393 4.103 632 H ARG 87 H ARG 87 11.219 -9.669 4.397 633 HA ARG 87 HA ARG 87 12.885 -8.429 6.483 634 HB2 ARG 87 1HB ARG 87 14.780 -9.611 5.494 635 HB3 ARG 87 2HB ARG 87 13.506 -10.738 5.939 636 HG2 ARG 87 1HG ARG 87 13.535 -9.703 3.158 637 HG3 ARG 87 2HG ARG 87 14.759 -10.886 3.622 638 HD2 ARG 87 1HD ARG 87 11.932 -11.429 4.363 639 HD3 ARG 87 2HD ARG 87 12.395 -11.611 2.671 640 HE ARG 87 HE ARG 87 14.265 -12.959 4.265 641 HH11 ARG 87 2HH1 ARG 87 10.925 -13.178 3.307 642 HH12 ARG 87 1HH1 ARG 87 10.859 -14.903 3.460 643 HH21 ARG 87 2HH2 ARG 87 14.190 -15.230 4.470 644 HH22 ARG 87 1HH2 ARG 87 12.716 -16.068 4.122 645 H VAL 88 H VAL 88 11.343 -6.864 4.678 646 HA VAL 88 HA VAL 88 13.041 -5.937 2.552 647 HB VAL 88 HB VAL 88 10.609 -5.815 2.327 648 HG11 VAL 88 1HG1 VAL 88 9.226 -4.897 3.832 649 HG12 VAL 88 2HG1 VAL 88 10.602 -4.996 4.933 650 HG13 VAL 88 3HG1 VAL 88 10.266 -3.493 4.072 651 HG21 VAL 88 1HG2 VAL 88 11.565 -4.290 0.901 652 HG22 VAL 88 2HG2 VAL 88 10.532 -3.232 1.863 653 HG23 VAL 88 3HG2 VAL 88 12.258 -3.334 2.212 654 H TYR 89 H TYR 89 14.928 -5.079 3.271 655 HA TYR 89 HA TYR 89 15.050 -3.328 5.544 656 HB2 TYR 89 1HB TYR 89 17.456 -2.985 4.584 657 HB3 TYR 89 2HB TYR 89 17.017 -4.532 5.298 658 HD1 TYR 89 2HD TYR 89 16.695 -6.504 3.897 659 HD2 TYR 89 1HD TYR 89 17.835 -2.772 2.201 660 HE1 TYR 89 2HE TYR 89 17.332 -7.651 1.817 661 HE2 TYR 89 1HE TYR 89 18.474 -3.908 0.116 662 HH TYR 89 HH TYR 89 17.516 -6.637 -0.860 663 H ALA 90 H ALA 90 13.211 -2.233 3.906 664 HA ALA 90 HA ALA 90 14.532 -0.102 2.396 665 HB1 ALA 90 1HB ALA 90 12.474 0.300 1.332 666 HB2 ALA 90 2HB ALA 90 12.602 -1.455 1.449 667 HB3 ALA 90 3HB ALA 90 11.570 -0.570 2.572 668 H LEU 91 H LEU 91 14.689 1.920 3.133 669 HA LEU 91 HA LEU 91 13.987 2.570 5.793 670 HB2 LEU 91 1HB LEU 91 14.655 4.511 3.592 671 HB3 LEU 91 2HB LEU 91 14.841 4.752 5.328 672 HG LEU 91 HG LEU 91 16.457 2.887 3.592 673 HD11 LEU 91 1HD1 LEU 91 17.966 4.512 3.400 674 HD12 LEU 91 2HD1 LEU 91 17.855 4.925 5.110 675 HD13 LEU 91 3HD1 LEU 91 16.708 5.613 3.961 676 HD21 LEU 91 1HD2 LEU 91 15.961 2.106 5.956 677 HD22 LEU 91 2HD2 LEU 91 16.901 3.495 6.503 678 HD23 LEU 91 3HD2 LEU 91 17.662 2.249 5.512 679 HA PRO 92 HA PRO 92 9.859 4.028 5.447 680 HB2 PRO 92 1HB PRO 92 9.839 5.939 7.375 681 HB3 PRO 92 2HB PRO 92 9.867 4.209 7.737 682 HG2 PRO 92 1HG PRO 92 12.125 6.175 7.705 683 HG3 PRO 92 2HG PRO 92 11.774 4.894 8.879 684 HD2 PRO 92 1HD PRO 92 13.634 4.615 6.931 685 HD3 PRO 92 2HD PRO 92 12.681 3.248 7.545 686 H GLU 93 H GLU 93 12.543 6.118 4.920 687 HA GLU 93 HA GLU 93 10.985 8.425 4.177 688 HB2 GLU 93 1HB GLU 93 13.914 7.813 3.747 689 HB3 GLU 93 2HB GLU 93 13.148 9.370 3.463 690 HG2 GLU 93 1HG GLU 93 12.564 9.492 5.849 691 HG3 GLU 93 2HG GLU 93 13.405 7.965 6.112 692 H ASP 94 H ASP 94 12.596 5.765 2.538 693 HA ASP 94 HA ASP 94 12.542 6.668 -0.081 694 HB2 ASP 94 1HB ASP 94 12.049 3.837 0.867 695 HB3 ASP 94 2HB ASP 94 12.573 4.314 -0.746 696 H LEU 95 H LEU 95 9.967 5.249 1.853 697 HA LEU 95 HA LEU 95 8.105 4.928 -0.257 698 HB2 LEU 95 1HB LEU 95 7.724 5.221 2.716 699 HB3 LEU 95 2HB LEU 95 6.422 4.841 1.591 700 HG LEU 95 HG LEU 95 8.844 3.087 1.751 701 HD11 LEU 95 1HD1 LEU 95 8.228 2.071 3.660 702 HD12 LEU 95 2HD1 LEU 95 6.507 2.298 3.352 703 HD13 LEU 95 3HD1 LEU 95 7.466 3.623 4.010 704 HD21 LEU 95 1HD2 LEU 95 7.654 1.691 0.469 705 HD22 LEU 95 2HD2 LEU 95 6.641 3.095 0.130 706 HD23 LEU 95 3HD2 LEU 95 6.174 1.954 1.392 707 H VAL 96 H VAL 96 8.681 7.525 2.081 708 HA VAL 96 HA VAL 96 6.505 9.152 1.380 709 HB VAL 96 HB VAL 96 9.207 9.956 2.465 710 HG11 VAL 96 1HG1 VAL 96 8.577 12.081 2.352 711 HG12 VAL 96 2HG1 VAL 96 7.147 11.582 1.446 712 HG13 VAL 96 3HG1 VAL 96 7.077 11.716 3.204 713 HG21 VAL 96 1HG2 VAL 96 8.018 10.028 4.628 714 HG22 VAL 96 2HG2 VAL 96 6.583 9.376 3.837 715 HG23 VAL 96 3HG2 VAL 96 8.055 8.410 3.927 716 H GLU 97 H GLU 97 9.779 8.934 0.075 717 HA GLU 97 HA GLU 97 9.357 11.128 -1.755 718 HB2 GLU 97 1HB GLU 97 11.613 9.156 -1.398 719 HB3 GLU 97 2HB GLU 97 11.607 10.385 -2.655 720 HG2 GLU 97 1HG GLU 97 11.162 11.984 -0.609 721 HG3 GLU 97 2HG GLU 97 11.932 10.672 0.281 722 H VAL 98 H VAL 98 8.592 7.849 -1.700 723 HA VAL 98 HA VAL 98 7.743 6.405 -3.241 724 HB VAL 98 HB VAL 98 7.471 8.742 -5.122 725 HG11 VAL 98 1HG1 VAL 98 5.449 7.488 -5.834 726 HG12 VAL 98 2HG1 VAL 98 6.955 6.611 -6.109 727 HG13 VAL 98 3HG1 VAL 98 5.921 6.183 -4.746 728 HG21 VAL 98 1HG2 VAL 98 6.531 8.792 -2.558 729 HG22 VAL 98 2HG2 VAL 98 5.831 9.678 -3.912 730 HG23 VAL 98 3HG2 VAL 98 5.160 8.117 -3.440 731 H LYS 99 H LYS 99 10.448 6.395 -3.136 732 HA LYS 99 HA LYS 99 11.762 6.842 -5.596 733 HB2 LYS 99 1HB LYS 99 12.718 4.691 -3.770 734 HB3 LYS 99 2HB LYS 99 13.629 5.949 -4.595 735 HG2 LYS 99 1HG LYS 99 12.268 7.504 -2.937 736 HG3 LYS 99 2HG LYS 99 12.227 6.018 -1.985 737 HD2 LYS 99 1HD LYS 99 14.189 6.891 -1.216 738 HD3 LYS 99 2HD LYS 99 14.806 5.994 -2.606 739 HE2 LYS 99 1HE LYS 99 13.915 8.804 -3.013 740 HE3 LYS 99 2HE LYS 99 15.447 8.524 -2.188 741 HZ1 LYS 99 1HZ LYS 99 15.462 6.863 -4.388 742 HZ2 LYS 99 2HZ LYS 99 16.353 8.286 -4.182 743 HZ3 LYS 99 3HZ LYS 99 14.847 8.335 -4.953 744 HA PRO 100 HA PRO 100 9.877 3.393 -7.749 745 HB2 PRO 100 1HB PRO 100 11.009 3.960 -10.150 746 HB3 PRO 100 2HB PRO 100 9.603 4.828 -9.523 747 HG2 PRO 100 1HG PRO 100 12.488 5.625 -9.493 748 HG3 PRO 100 2HG PRO 100 11.060 6.609 -9.861 749 HD2 PRO 100 1HD PRO 100 12.301 6.685 -7.456 750 HD3 PRO 100 2HD PRO 100 10.551 6.929 -7.636 751 H LYS 101 H LYS 101 12.989 3.846 -6.732 752 HA LYS 101 HA LYS 101 13.999 1.459 -8.123 753 HB2 LYS 101 1HB LYS 101 16.240 2.209 -7.387 754 HB3 LYS 101 2HB LYS 101 15.427 3.396 -8.399 755 HG2 LYS 101 1HG LYS 101 14.756 4.604 -6.329 756 HG3 LYS 101 2HG LYS 101 15.752 3.475 -5.409 757 HD2 LYS 101 1HD LYS 101 16.858 5.081 -7.696 758 HD3 LYS 101 2HD LYS 101 16.803 5.712 -6.049 759 HE2 LYS 101 1HE LYS 101 18.127 3.122 -6.842 760 HE3 LYS 101 2HE LYS 101 18.974 4.658 -6.663 761 HZ1 LYS 101 1HZ LYS 101 17.651 4.458 -4.330 762 HZ2 LYS 101 2HZ LYS 101 19.259 3.990 -4.565 763 HZ3 LYS 101 3HZ LYS 101 18.023 2.837 -4.640 764 H MET 102 H MET 102 12.740 2.520 -5.188 765 HA MET 102 HA MET 102 13.913 0.210 -3.782 766 HB2 MET 102 1HB MET 102 13.311 2.983 -2.861 767 HB3 MET 102 2HB MET 102 13.133 1.667 -1.709 768 HG2 MET 102 1HG MET 102 15.637 2.237 -3.276 769 HG3 MET 102 2HG MET 102 15.336 2.780 -1.626 770 HE1 MET 102 1HE MET 102 14.450 0.607 0.264 771 HE2 MET 102 2HE MET 102 16.026 -0.123 0.573 772 HE3 MET 102 3HE MET 102 15.892 1.620 0.337 773 H VAL 103 H VAL 103 11.019 2.184 -4.250 774 HA VAL 103 HA VAL 103 9.264 0.721 -2.630 775 HB VAL 103 HB VAL 103 8.682 2.292 -5.144 776 HG11 VAL 103 1HG1 VAL 103 6.397 2.361 -3.667 777 HG12 VAL 103 2HG1 VAL 103 6.683 1.276 -5.029 778 HG13 VAL 103 3HG1 VAL 103 6.953 0.713 -3.380 779 HG21 VAL 103 1HG2 VAL 103 8.272 3.102 -2.273 780 HG22 VAL 103 2HG2 VAL 103 9.726 3.494 -3.192 781 HG23 VAL 103 3HG2 VAL 103 8.160 4.115 -3.713 782 H MET 104 H MET 104 10.693 -0.053 -5.648 783 HA MET 104 HA MET 104 8.715 -1.824 -6.644 784 HB2 MET 104 1HB MET 104 10.788 -0.757 -7.823 785 HB3 MET 104 2HB MET 104 11.635 -2.176 -7.222 786 HG2 MET 104 1HG MET 104 9.580 -3.418 -8.328 787 HG3 MET 104 2HG MET 104 9.541 -1.952 -9.305 788 HE1 MET 104 1HE MET 104 13.251 -4.135 -8.375 789 HE2 MET 104 2HE MET 104 11.662 -4.464 -7.685 790 HE3 MET 104 3HE MET 104 12.237 -5.403 -9.064 791 H THR 105 H THR 105 11.437 -2.202 -4.458 792 HA THR 105 HA THR 105 11.141 -5.082 -4.340 793 HB THR 105 HB THR 105 13.385 -4.215 -4.150 794 HG1 THR 105 1HG THR 105 13.827 -5.056 -1.911 795 HG21 THR 105 1HG2 THR 105 13.283 -2.067 -3.306 796 HG22 THR 105 2HG2 THR 105 13.882 -2.957 -1.907 797 HG23 THR 105 3HG2 THR 105 12.178 -2.517 -2.008 798 H VAL 106 H VAL 106 10.199 -2.273 -2.489 799 HA VAL 106 HA VAL 106 9.616 -3.382 -0.023 800 HB VAL 106 HB VAL 106 8.089 -1.231 -1.496 801 HG11 VAL 106 1HG1 VAL 106 7.332 -2.578 0.818 802 HG12 VAL 106 2HG1 VAL 106 8.042 -1.066 1.388 803 HG13 VAL 106 3HG1 VAL 106 6.706 -1.035 0.236 804 HG21 VAL 106 1HG2 VAL 106 9.436 0.213 0.145 805 HG22 VAL 106 2HG2 VAL 106 10.466 -1.206 0.336 806 HG23 VAL 106 3HG2 VAL 106 10.280 -0.458 -1.250 807 H PHE 107 H PHE 107 7.682 -3.390 -2.980 808 HA PHE 107 HA PHE 107 5.462 -4.727 -1.719 809 HB2 PHE 107 1HB PHE 107 6.095 -3.873 -4.528 810 HB3 PHE 107 2HB PHE 107 4.743 -4.954 -4.209 811 HD1 PHE 107 1HD PHE 107 3.095 -4.141 -2.333 812 HD2 PHE 107 2HD PHE 107 5.729 -1.605 -4.512 813 HE1 PHE 107 1HE PHE 107 1.674 -2.207 -1.792 814 HE2 PHE 107 2HE PHE 107 4.313 0.334 -3.974 815 HZ PHE 107 HZ PHE 107 2.283 0.035 -2.612 816 H ALA 108 H ALA 108 7.822 -5.619 -4.237 817 HA ALA 108 HA ALA 108 7.128 -8.222 -4.687 818 HB1 ALA 108 1HB ALA 108 9.071 -8.374 -5.803 819 HB2 ALA 108 2HB ALA 108 9.207 -6.652 -5.443 820 HB3 ALA 108 3HB ALA 108 10.026 -7.834 -4.422 821 H CYS 109 H CYS 109 8.959 -6.938 -1.960 822 HA CYS 109 HA CYS 109 9.794 -9.369 -0.846 823 HB2 CYS 109 1HB CYS 109 10.374 -6.879 -0.233 824 HB3 CYS 109 2HB CYS 109 9.043 -7.057 0.903 825 HG CYS 109 HG CYS 109 10.716 -9.684 1.466 826 H LEU 110 H LEU 110 6.842 -7.477 -0.331 827 HA LEU 110 HA LEU 110 5.749 -9.126 1.680 828 HB2 LEU 110 1HB LEU 110 4.342 -7.358 -0.314 829 HB3 LEU 110 2HB LEU 110 3.620 -8.032 1.145 830 HG LEU 110 HG LEU 110 5.962 -6.138 1.186 831 HD11 LEU 110 1HD1 LEU 110 3.010 -5.578 1.256 832 HD12 LEU 110 2HD1 LEU 110 4.231 -4.886 0.189 833 HD13 LEU 110 3HD1 LEU 110 4.212 -4.459 1.899 834 HD21 LEU 110 1HD2 LEU 110 4.092 -7.256 3.253 835 HD22 LEU 110 2HD2 LEU 110 5.022 -5.783 3.530 836 HD23 LEU 110 3HD2 LEU 110 5.855 -7.307 3.217 837 H MET 111 H MET 111 5.216 -9.033 -1.835 838 HA MET 111 HA MET 111 3.288 -10.968 -2.101 839 HB2 MET 111 1HB MET 111 4.301 -9.575 -3.935 840 HB3 MET 111 2HB MET 111 5.663 -10.687 -3.945 841 HG2 MET 111 1HG MET 111 4.067 -12.530 -4.443 842 HG3 MET 111 2HG MET 111 2.798 -11.317 -4.600 843 HE1 MET 111 1HE MET 111 2.699 -9.539 -6.059 844 HE2 MET 111 2HE MET 111 4.216 -8.872 -6.663 845 HE3 MET 111 3HE MET 111 3.111 -9.693 -7.767 846 H GLY 112 H GLY 112 6.801 -11.447 -1.864 847 HA2 GLY 112 1HA GLY 112 7.185 -14.057 -2.330 848 HA3 GLY 112 2HA GLY 112 7.925 -13.263 -0.948 849 H ARG 113 H ARG 113 6.037 -12.903 0.846 850 HA ARG 113 HA ARG 113 5.327 -15.612 1.598 851 HB2 ARG 113 1HB ARG 113 5.419 -12.971 2.999 852 HB3 ARG 113 2HB ARG 113 4.449 -14.268 3.682 853 HG2 ARG 113 1HG ARG 113 7.254 -14.873 2.923 854 HG3 ARG 113 2HG ARG 113 6.965 -13.905 4.370 855 HD2 ARG 113 1HD ARG 113 6.946 -16.018 5.261 856 HD3 ARG 113 2HD ARG 113 5.232 -15.796 4.910 857 HE ARG 113 HE ARG 113 6.366 -16.953 2.663 858 HH11 ARG 113 2HH1 ARG 113 5.887 -17.760 6.015 859 HH12 ARG 113 1HH1 ARG 113 5.800 -19.466 5.727 860 HH21 ARG 113 2HH2 ARG 113 6.253 -19.197 2.271 861 HH22 ARG 113 1HH2 ARG 113 6.009 -20.282 3.597 862 H GLY 114 H GLY 114 3.643 -12.502 1.166 863 HA2 GLY 114 1HA GLY 114 1.084 -13.035 1.753 864 HA3 GLY 114 2HA GLY 114 1.516 -12.141 0.303 865 H MET 115 H MET 115 2.740 -14.263 -1.120 866 HA MET 115 HA MET 115 0.586 -15.345 -2.479 867 HB2 MET 115 1HB MET 115 3.490 -15.983 -2.327 868 HB3 MET 115 2HB MET 115 2.436 -17.160 -3.098 869 HG2 MET 115 1HG MET 115 2.259 -14.301 -3.908 870 HG3 MET 115 2HG MET 115 3.599 -15.286 -4.491 871 HE1 MET 115 1HE MET 115 1.477 -14.928 -7.534 872 HE2 MET 115 2HE MET 115 2.894 -14.459 -6.594 873 HE3 MET 115 3HE MET 115 2.842 -16.035 -7.384 874 H LYS 116 H LYS 116 -0.888 -16.777 -1.881 875 HA LYS 116 HA LYS 116 -0.450 -18.481 0.414 876 HB2 LYS 116 1HB LYS 116 -2.630 -17.225 -0.274 877 HB3 LYS 116 2HB LYS 116 -2.883 -18.602 -1.339 878 HG2 LYS 116 1HG LYS 116 -2.315 -19.026 1.564 879 HG3 LYS 116 2HG LYS 116 -3.940 -18.607 1.017 880 HD2 LYS 116 1HD LYS 116 -4.202 -20.586 -0.144 881 HD3 LYS 116 2HD LYS 116 -2.463 -20.832 -0.321 882 HE2 LYS 116 1HE LYS 116 -2.294 -21.333 2.068 883 HE3 LYS 116 2HE LYS 116 -4.029 -21.081 2.246 884 HZ1 LYS 116 1HZ LYS 116 -2.596 -23.302 0.976 885 HZ2 LYS 116 2HZ LYS 116 -4.128 -22.891 0.390 886 HZ3 LYS 116 3HZ LYS 116 -3.935 -23.337 2.011 887 H ARG 117 H ARG 117 0.162 -20.544 0.365 888 HA ARG 117 HA ARG 117 0.928 -22.530 -0.454 889 HB2 ARG 117 1HB ARG 117 -1.646 -22.648 -0.654 890 HB3 ARG 117 2HB ARG 117 -1.379 -22.446 -2.380 891 HG2 ARG 117 1HG ARG 117 -0.341 -24.502 -2.594 892 HG3 ARG 117 2HG ARG 117 0.057 -24.591 -0.877 893 HD2 ARG 117 1HD ARG 117 -1.686 -26.097 -1.049 894 HD3 ARG 117 2HD ARG 117 -2.517 -24.625 -0.547 895 HE ARG 117 HE ARG 117 -3.597 -24.591 -2.564 896 HH11 ARG 117 2HH1 ARG 117 -0.879 -26.757 -2.764 897 HH12 ARG 117 1HH1 ARG 117 -1.311 -27.364 -4.328 898 HH21 ARG 117 2HH2 ARG 117 -4.176 -25.382 -4.624 899 HH22 ARG 117 1HH2 ARG 117 -3.186 -26.580 -5.385 900 H VAL 118 H VAL 118 2.209 -20.358 -1.603 901 HA VAL 118 HA VAL 118 2.324 -20.034 -4.295 902 HB VAL 118 HB VAL 118 3.821 -18.957 -2.555 903 HG11 VAL 118 1HG1 VAL 118 5.743 -19.974 -1.796 904 HG12 VAL 118 2HG1 VAL 118 4.625 -21.339 -1.840 905 HG13 VAL 118 3HG1 VAL 118 5.798 -21.115 -3.139 906 HG21 VAL 118 1HG2 VAL 118 5.397 -18.312 -4.153 907 HG22 VAL 118 2HG2 VAL 118 5.390 -19.892 -4.936 908 HG23 VAL 118 3HG2 VAL 118 4.006 -18.814 -5.115 909 H SER 119 H SER 119 3.980 -20.882 -5.863 910 HA SER 119 HA SER 119 4.122 -23.817 -5.641 911 HB2 SER 119 1HB SER 119 4.080 -23.866 -8.105 912 HB3 SER 119 2HB SER 119 2.655 -23.056 -7.455 913 HG SER 119 HG SER 119 4.906 -21.521 -8.104 914 H GLY 120 H GLY 120 6.092 -24.605 -5.343 915 HA2 GLY 120 1HA GLY 120 8.304 -24.695 -6.631 916 HA3 GLY 120 2HA GLY 120 8.397 -22.990 -6.217 917 HA PRO 121 HA PRO 121 10.574 -24.124 -2.576 918 HB2 PRO 121 1HB PRO 121 10.111 -21.910 -1.074 919 HB3 PRO 121 2HB PRO 121 11.219 -21.922 -2.452 920 HG2 PRO 121 1HG PRO 121 8.387 -20.964 -2.308 921 HG3 PRO 121 2HG PRO 121 9.783 -20.213 -3.102 922 HD2 PRO 121 1HD PRO 121 7.923 -21.633 -4.464 923 HD3 PRO 121 2HD PRO 121 9.630 -21.584 -4.948 924 H SER 122 H SER 122 7.204 -23.200 -2.436 925 HA SER 122 HA SER 122 6.390 -23.439 0.091 926 HB2 SER 122 1HB SER 122 5.044 -23.494 -2.192 927 HB3 SER 122 2HB SER 122 4.953 -25.218 -1.834 928 HG SER 122 HG SER 122 3.961 -24.721 0.123 929 H SER 123 H SER 123 6.639 -24.794 1.733 930 HA SER 123 HA SER 123 7.112 -27.641 1.174 931 HB2 SER 123 1HB SER 123 9.258 -26.405 1.694 932 HB3 SER 123 2HB SER 123 8.605 -26.100 3.304 933 HG SER 123 HG SER 123 9.730 -27.948 3.528 934 H GLY 124 H GLY 124 5.818 -28.948 2.292 935 HA2 GLY 124 1HA GLY 124 5.025 -28.403 4.992 936 HA3 GLY 124 2HA GLY 124 3.713 -28.142 3.853
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