NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555813 | 2lqr | 15512 | 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 1H GLY 1 -2.532 9.058 -6.618 2 H2 GLY 1 2H GLY 1 -2.470 9.809 -5.320 3 H3 GLY 1 3H GLY 1 -1.286 9.803 -6.242 4 HA2 GLY 1 1HA GLY 1 -1.733 7.961 -4.127 5 HA3 GLY 1 2HA GLY 1 -1.807 7.071 -5.665 6 H GLY 2 H GLY 2 0.040 6.218 -6.323 7 HA2 GLY 2 1HA GLY 2 2.313 6.008 -6.777 8 HA3 GLY 2 2HA GLY 2 2.556 7.672 -6.189 9 H SER 3 H SER 3 4.059 7.638 -4.658 10 HA SER 3 HA SER 3 3.701 5.901 -2.241 11 HB2 SER 3 1HB SER 3 5.723 4.866 -2.308 12 HB3 SER 3 2HB SER 3 4.845 4.495 -3.809 13 HG SER 3 HG SER 3 7.050 4.996 -4.171 14 H ASN 4 H ASN 4 5.693 6.327 -0.778 15 HA ASN 4 HA ASN 4 6.771 7.879 0.576 16 HB2 ASN 4 1HB ASN 4 8.156 8.190 -1.816 17 HB3 ASN 4 2HB ASN 4 7.011 9.547 -1.691 18 HD21 ASN 4 2HD2 ASN 4 9.083 10.726 -1.838 19 HD22 ASN 4 1HD2 ASN 4 9.913 11.082 -0.360 20 H ALA 5 H ALA 5 4.173 8.130 0.838 21 HA ALA 5 HA ALA 5 3.818 10.969 1.370 22 HB1 ALA 5 3HB ALA 5 2.056 9.635 -0.713 23 HB2 ALA 5 1HB ALA 5 1.794 11.247 -0.008 24 HB3 ALA 5 2HB ALA 5 3.231 10.939 -1.011 25 H THR 6 H THR 6 1.548 11.395 2.223 26 HA THR 6 HA THR 6 0.611 9.007 3.771 27 HB THR 6 HB THR 6 1.180 11.761 4.937 28 HG1 THR 6 HG1 THR 6 2.775 10.557 6.129 29 HG21 THR 6 1HG2 THR 6 0.579 10.693 7.081 30 HG22 THR 6 2HG2 THR 6 -0.785 10.646 5.937 31 HG23 THR 6 3HG2 THR 6 0.190 9.185 6.220 32 H ALA 7 H ALA 7 -1.473 8.731 3.845 33 HA ALA 7 HA ALA 7 -3.235 10.366 2.321 34 HB1 ALA 7 3HB ALA 7 -3.875 8.368 4.518 35 HB2 ALA 7 1HB ALA 7 -5.033 9.022 3.337 36 HB3 ALA 7 2HB ALA 7 -3.685 8.000 2.787 37 HA PRO 8 HA PRO 8 -4.311 13.665 4.974 38 HB2 PRO 8 1HB PRO 8 -6.976 14.033 4.234 39 HB3 PRO 8 2HB PRO 8 -5.638 14.546 3.197 40 HG2 PRO 8 1HG PRO 8 -7.293 12.006 3.060 41 HG3 PRO 8 2HG PRO 8 -6.783 13.073 1.745 42 HD2 PRO 8 1HD PRO 8 -5.444 10.758 2.232 43 HD3 PRO 8 2HD PRO 8 -4.561 12.202 1.722 44 H PHE 9 H PHE 9 -5.032 14.054 6.929 45 HA PHE 9 HA PHE 9 -7.139 12.391 8.135 46 HB2 PHE 9 1HB PHE 9 -5.236 10.869 8.384 47 HB3 PHE 9 2HB PHE 9 -4.251 12.176 9.079 48 HD1 PHE 9 HD1 PHE 9 -7.313 10.152 9.637 49 HD2 PHE 9 HD2 PHE 9 -4.249 12.586 11.349 50 HE1 PHE 9 HE1 PHE 9 -8.086 9.529 11.901 51 HE2 PHE 9 HE2 PHE 9 -5.016 11.964 13.615 52 HZ PHE 9 HZ PHE 9 -6.937 10.435 13.890 53 H PHE 10 H PHE 10 -8.308 13.616 9.361 54 HA PHE 10 HA PHE 10 -7.358 16.228 10.269 55 HB2 PHE 10 1HB PHE 10 -9.903 14.656 10.863 56 HB3 PHE 10 2HB PHE 10 -9.594 16.326 11.389 57 HD1 PHE 10 HD2 PHE 10 -9.193 18.080 9.616 58 HD2 PHE 10 HD1 PHE 10 -10.795 14.208 8.782 59 HE1 PHE 10 HE2 PHE 10 -10.124 18.926 7.487 60 HE2 PHE 10 HE1 PHE 10 -11.725 15.050 6.652 61 HZ PHE 10 HZ PHE 10 -11.389 17.409 6.004 62 H GLU 11 H GLU 11 -5.556 15.830 11.519 63 HA GLU 11 HA GLU 11 -5.690 14.222 13.935 64 HB2 GLU 11 1HB GLU 11 -3.606 15.231 14.505 65 HB3 GLU 11 2HB GLU 11 -3.595 14.783 12.782 66 HG2 GLU 11 1HG GLU 11 -4.004 17.225 12.192 67 HG3 GLU 11 2HG GLU 11 -4.040 17.499 13.949 68 H MET 12 H MET 12 -6.835 17.363 13.098 69 HA MET 12 HA MET 12 -8.021 17.414 15.833 70 HB2 MET 12 1HB MET 12 -6.142 19.004 15.784 71 HB3 MET 12 2HB MET 12 -6.895 19.818 14.391 72 HG2 MET 12 1HG MET 12 -8.849 20.374 15.785 73 HG3 MET 12 2HG MET 12 -8.072 19.583 17.178 74 HE1 MET 12 3HE MET 12 -8.415 22.753 15.022 75 HE2 MET 12 1HE MET 12 -6.881 23.619 15.275 76 HE3 MET 12 2HE MET 12 -6.906 22.113 14.325 77 H LYS 13 H LYS 13 -10.048 16.940 15.427 78 HA LYS 13 HA LYS 13 -11.261 17.836 12.874 79 HB2 LYS 13 1HB LYS 13 -12.200 16.004 15.084 80 HB3 LYS 13 2HB LYS 13 -13.161 16.421 13.645 81 HG2 LYS 13 1HG LYS 13 -11.453 15.403 12.200 82 HG3 LYS 13 2HG LYS 13 -10.476 14.999 13.632 83 HD2 LYS 13 1HD LYS 13 -12.292 13.570 14.474 84 HD3 LYS 13 2HD LYS 13 -13.278 13.980 13.051 85 HE2 LYS 13 1HE LYS 13 -11.576 12.981 11.584 86 HE3 LYS 13 2HE LYS 13 -10.593 12.567 13.007 87 HZ1 LYS 13 3HZ LYS 13 -13.298 11.538 12.432 88 HZ2 LYS 13 1HZ LYS 13 -11.892 10.695 12.247 89 HZ3 LYS 13 2HZ LYS 13 -12.387 11.153 13.753 90 H LEU 14 H LEU 14 -13.419 18.710 12.805 91 HA LEU 14 HA LEU 14 -13.820 20.830 14.789 92 HB2 LEU 14 1HB LEU 14 -15.382 19.797 12.515 93 HB3 LEU 14 2HB LEU 14 -15.906 21.277 13.351 94 HG LEU 14 HG LEU 14 -13.327 20.894 11.781 95 HD11 LEU 14 1HD1 LEU 14 -14.327 22.603 10.240 96 HD12 LEU 14 2HD1 LEU 14 -15.352 21.152 10.349 97 HD13 LEU 14 3HD1 LEU 14 -15.796 22.626 11.243 98 HD21 LEU 14 3HD2 LEU 14 -12.977 22.340 13.695 99 HD22 LEU 14 1HD2 LEU 14 -12.944 23.299 12.197 100 HD23 LEU 14 2HD2 LEU 14 -14.385 23.330 13.242 101 H LYS 15 H LYS 15 -15.984 21.196 15.747 102 HA LYS 15 HA LYS 15 -17.288 18.632 16.568 103 HB2 LYS 15 1HB LYS 15 -17.387 19.366 18.850 104 HB3 LYS 15 2HB LYS 15 -15.696 19.266 18.305 105 HG2 LYS 15 1HG LYS 15 -15.670 21.724 17.999 106 HG3 LYS 15 2HG LYS 15 -17.341 21.802 18.607 107 HD2 LYS 15 1HD LYS 15 -16.583 20.802 20.747 108 HD3 LYS 15 2HD LYS 15 -14.912 20.806 20.135 109 HE2 LYS 15 1HE LYS 15 -14.993 23.248 19.910 110 HE3 LYS 15 2HE LYS 15 -16.669 23.252 20.504 111 HZ1 LYS 15 3HZ LYS 15 -14.310 22.360 22.034 112 HZ2 LYS 15 1HZ LYS 15 -15.107 23.789 22.247 113 HZ3 LYS 15 2HZ LYS 15 -15.865 22.363 22.586 114 H HIS 16 H HIS 16 -19.272 19.252 18.019 115 HA HIS 16 HA HIS 16 -21.042 20.795 16.298 116 HB2 HIS 16 1HB HIS 16 -21.804 18.794 17.618 117 HB3 HIS 16 2HB HIS 16 -21.558 19.733 19.110 118 HD1 HIS 16 HD1 HIS 16 -24.221 18.964 19.187 119 HD2 HIS 16 HD2 HIS 16 -23.203 22.173 16.652 120 HE1 HIS 16 HE1 HIS 16 -26.315 20.119 18.688 121 H TYR 17 H TYR 17 -20.903 22.891 16.136 122 HA TYR 17 HA TYR 17 -20.236 24.487 18.570 123 HB2 TYR 17 1HB TYR 17 -20.400 25.282 15.656 124 HB3 TYR 17 2HB TYR 17 -19.876 26.315 17.009 125 HD1 TYR 17 HD2 TYR 17 -17.831 25.443 18.380 126 HD2 TYR 17 HD1 TYR 17 -18.790 24.085 14.454 127 HE1 TYR 17 HE2 TYR 17 -15.505 24.657 18.095 128 HE2 TYR 17 HE1 TYR 17 -16.463 23.291 14.151 129 HH TYR 17 HH TYR 17 -14.003 23.651 16.709 130 H LYS 18 H LYS 18 -21.458 26.146 19.325 131 HA LYS 18 HA LYS 18 -24.142 26.537 18.064 132 HB2 LYS 18 1HB LYS 18 -23.546 26.088 20.993 133 HB3 LYS 18 2HB LYS 18 -25.091 26.698 20.353 134 HG2 LYS 18 1HG LYS 18 -25.353 24.587 19.067 135 HG3 LYS 18 2HG LYS 18 -23.854 23.978 19.808 136 HD2 LYS 18 1HD LYS 18 -24.883 24.216 22.046 137 HD3 LYS 18 2HD LYS 18 -26.389 24.775 21.280 138 HE2 LYS 18 1HE LYS 18 -26.582 22.633 20.091 139 HE3 LYS 18 2HE LYS 18 -25.076 22.073 20.852 140 HZ1 LYS 18 3HZ LYS 18 -27.560 22.777 22.280 141 HZ2 LYS 18 1HZ LYS 18 -27.015 21.245 22.002 142 HZ3 LYS 18 2HZ LYS 18 -26.163 22.258 22.987 143 H ILE 19 H ILE 19 -24.943 28.539 18.060 144 HA ILE 19 HA ILE 19 -23.593 30.693 19.579 145 HB ILE 19 HB ILE 19 -22.281 30.348 17.381 146 HG12 ILE 19 1HG1 ILE 19 -22.325 32.783 16.846 147 HG13 ILE 19 2HG1 ILE 19 -23.645 32.944 18.029 148 HG21 ILE 19 1HG2 ILE 19 -23.355 31.271 15.355 149 HG22 ILE 19 2HG2 ILE 19 -24.232 29.843 15.951 150 HG23 ILE 19 3HG2 ILE 19 -24.878 31.473 16.254 151 HD11 ILE 19 3HD1 ILE 19 -20.842 31.929 18.618 152 HD12 ILE 19 1HD1 ILE 19 -21.474 33.539 19.031 153 HD13 ILE 19 2HD1 ILE 19 -22.161 32.088 19.801 154 H PHE 20 H PHE 20 -24.691 32.576 19.759 155 HA PHE 20 HA PHE 20 -27.572 32.425 19.209 156 HB2 PHE 20 1HB PHE 20 -25.762 34.521 20.456 157 HB3 PHE 20 2HB PHE 20 -27.488 34.810 20.143 158 HD1 PHE 20 HD2 PHE 20 -29.187 33.386 21.263 159 HD2 PHE 20 HD1 PHE 20 -25.045 33.296 22.306 160 HE1 PHE 20 HE2 PHE 20 -29.758 32.340 23.429 161 HE2 PHE 20 HE1 PHE 20 -25.612 32.248 24.472 162 HZ PHE 20 HZ PHE 20 -27.969 31.770 25.033 163 H GLU 21 H GLU 21 -28.784 33.662 17.858 164 HA GLU 21 HA GLU 21 -27.745 34.080 15.257 165 HB2 GLU 21 1HB GLU 21 -30.130 33.818 15.847 166 HB3 GLU 21 2HB GLU 21 -30.105 35.450 16.557 167 HG2 GLU 21 1HG GLU 21 -29.545 36.379 14.240 168 HG3 GLU 21 2HG GLU 21 -29.612 34.682 13.710 169 H GLY 22 H GLY 22 -26.423 35.481 14.429 170 HA2 GLY 22 1HA GLY 22 -26.095 37.769 13.733 171 HA3 GLY 22 2HA GLY 22 -26.676 38.314 15.322 172 H MET 23 H MET 23 -24.927 35.915 16.355 173 HA MET 23 HA MET 23 -22.633 37.680 16.949 174 HB2 MET 23 1HB MET 23 -23.363 34.918 17.917 175 HB3 MET 23 2HB MET 23 -22.006 35.904 18.511 176 HG2 MET 23 1HG MET 23 -24.941 36.643 18.715 177 HG3 MET 23 2HG MET 23 -23.967 35.943 20.029 178 HE1 MET 23 3HE MET 23 -21.229 37.306 19.988 179 HE2 MET 23 1HE MET 23 -21.501 38.765 20.970 180 HE3 MET 23 2HE MET 23 -22.243 37.218 21.449 181 HA PRO 24 HA PRO 24 -19.827 35.734 14.203 182 HB2 PRO 24 1HB PRO 24 -17.446 36.355 15.413 183 HB3 PRO 24 2HB PRO 24 -18.432 37.637 14.697 184 HG2 PRO 24 1HG PRO 24 -18.223 36.791 17.607 185 HG3 PRO 24 2HG PRO 24 -18.211 38.420 16.921 186 HD2 PRO 24 1HD PRO 24 -20.490 37.316 18.003 187 HD3 PRO 24 2HD PRO 24 -20.564 38.474 16.669 188 H VAL 25 H VAL 25 -18.528 33.989 13.894 189 HA VAL 25 HA VAL 25 -18.111 32.176 16.252 190 HB VAL 25 HB VAL 25 -19.260 31.297 13.569 191 HG11 VAL 25 1HG1 VAL 25 -19.513 29.120 14.714 192 HG12 VAL 25 2HG1 VAL 25 -17.809 29.631 14.681 193 HG13 VAL 25 3HG1 VAL 25 -18.762 29.801 16.175 194 HG21 VAL 25 3HG2 VAL 25 -20.935 32.535 14.806 195 HG22 VAL 25 1HG2 VAL 25 -21.319 30.798 14.785 196 HG23 VAL 25 2HG2 VAL 25 -20.632 31.540 16.250 197 H THR 26 H THR 26 -16.199 31.419 16.426 198 HA THR 26 HA THR 26 -14.500 31.314 13.951 199 HB THR 26 HB THR 26 -13.599 31.912 16.800 200 HG1 THR 26 HG1 THR 26 -13.861 33.561 14.480 201 HG21 THR 26 1HG2 THR 26 -11.405 32.329 15.744 202 HG22 THR 26 2HG2 THR 26 -11.937 30.652 15.474 203 HG23 THR 26 3HG2 THR 26 -12.072 31.850 14.166 204 H PHE 27 H PHE 27 -13.861 29.414 13.361 205 HA PHE 27 HA PHE 27 -13.022 27.452 15.411 206 HB2 PHE 27 1HB PHE 27 -14.378 25.632 14.349 207 HB3 PHE 27 2HB PHE 27 -15.390 26.866 15.135 208 HD1 PHE 27 HD2 PHE 27 -16.618 28.503 13.778 209 HD2 PHE 27 HD1 PHE 27 -14.495 25.231 12.035 210 HE1 PHE 27 HE2 PHE 27 -17.899 28.791 11.683 211 HE2 PHE 27 HE1 PHE 27 -15.772 25.517 9.938 212 HZ PHE 27 HZ PHE 27 -17.474 27.298 9.762 213 H THR 28 H THR 28 -11.912 25.598 14.495 214 HA THR 28 HA THR 28 -10.740 26.010 11.819 215 HB THR 28 HB THR 28 -9.457 27.611 13.263 216 HG1 THR 28 HG1 THR 28 -7.544 26.938 12.416 217 HG21 THR 28 1HG2 THR 28 -7.962 26.690 15.000 218 HG22 THR 28 2HG2 THR 28 -9.670 26.391 15.401 219 HG23 THR 28 3HG2 THR 28 -8.666 25.075 14.750 220 H CYS 29 H CYS 29 -9.233 24.370 11.204 221 HA CYS 29 HA CYS 29 -9.469 21.801 12.784 222 HB2 CYS 29 1HB CYS 29 -11.384 22.236 11.157 223 HB3 CYS 29 2HB CYS 29 -10.175 22.204 9.851 224 HG CYS 29 HG CYS 29 -11.097 19.891 11.953 225 H ARG 30 H ARG 30 -7.769 20.429 12.485 226 HA ARG 30 HA ARG 30 -5.561 21.419 10.709 227 HB2 ARG 30 1HB ARG 30 -5.128 21.983 13.007 228 HB3 ARG 30 2HB ARG 30 -5.270 20.265 13.449 229 HG2 ARG 30 1HG ARG 30 -3.348 19.739 12.003 230 HG3 ARG 30 2HG ARG 30 -3.201 21.462 11.579 231 HD2 ARG 30 1HD ARG 30 -2.606 22.022 13.797 232 HD3 ARG 30 2HD ARG 30 -2.951 20.370 14.361 233 HE ARG 30 HE ARG 30 -0.740 19.712 13.437 234 HH11 ARG 30 1HH1 ARG 30 -1.508 22.999 12.565 235 HH12 ARG 30 2HH1 ARG 30 0.158 23.271 12.096 236 HH21 ARG 30 1HH2 ARG 30 1.170 20.004 12.896 237 HH22 ARG 30 2HH2 ARG 30 1.687 21.563 12.283 238 H VAL 31 H VAL 31 -4.529 20.027 9.469 239 HA VAL 31 HA VAL 31 -5.239 17.108 9.760 240 HB VAL 31 HB VAL 31 -4.972 16.947 7.306 241 HG11 VAL 31 1HG1 VAL 31 -7.060 18.101 6.661 242 HG12 VAL 31 2HG1 VAL 31 -7.230 17.309 8.245 243 HG13 VAL 31 3HG1 VAL 31 -6.986 19.070 8.152 244 HG21 VAL 31 3HG2 VAL 31 -3.437 18.790 6.966 245 HG22 VAL 31 1HG2 VAL 31 -4.868 18.957 5.922 246 HG23 VAL 31 2HG2 VAL 31 -4.715 19.956 7.387 247 H ALA 32 H ALA 32 -3.727 15.590 9.006 248 HA ALA 32 HA ALA 32 -0.924 16.632 9.128 249 HB1 ALA 32 3HB ALA 32 -1.997 13.984 10.162 250 HB2 ALA 32 1HB ALA 32 -0.291 14.492 10.170 251 HB3 ALA 32 2HB ALA 32 -1.481 15.369 11.156 252 H GLY 33 H GLY 33 -2.525 16.368 6.761 253 HA2 GLY 33 1HA GLY 33 -1.843 13.856 5.458 254 HA3 GLY 33 2HA GLY 33 -2.592 15.282 4.702 255 H ASN 34 H ASN 34 -0.608 13.726 3.443 256 HA ASN 34 HA ASN 34 1.388 15.847 2.965 257 HB2 ASN 34 3HB ASN 34 2.319 14.332 4.861 258 HB3 ASN 34 2HB ASN 34 2.272 12.973 3.763 259 HD21 ASN 34 2HD2 ASN 34 4.567 13.821 5.076 260 HD22 ASN 34 1HD2 ASN 34 5.710 14.359 3.734 261 HA PRO 35 HA PRO 35 2.203 16.734 1.641 262 HB2 PRO 35 1HB PRO 35 0.772 17.774 -0.797 263 HB3 PRO 35 2HB PRO 35 2.485 17.926 -0.379 264 HG2 PRO 35 1HG PRO 35 1.712 16.280 -2.360 265 HG3 PRO 35 2HG PRO 35 3.034 15.818 -1.279 266 HD2 PRO 35 1HD PRO 35 0.112 14.927 -1.188 267 HD3 PRO 35 2HD PRO 35 1.571 13.937 -1.040 268 H LYS 36 H LYS 36 1.299 18.788 2.202 269 HA LYS 36 HA LYS 36 -1.036 18.524 3.767 270 HB2 LYS 36 1HB LYS 36 0.073 21.039 2.520 271 HB3 LYS 36 2HB LYS 36 -1.050 20.945 3.898 272 HG2 LYS 36 1HG LYS 36 1.723 19.725 3.941 273 HG3 LYS 36 2HG LYS 36 1.396 21.395 4.460 274 HD2 LYS 36 1HD LYS 36 -0.058 20.658 6.213 275 HD3 LYS 36 2HD LYS 36 -0.055 18.989 5.595 276 HE2 LYS 36 1HE LYS 36 2.201 18.644 6.235 277 HE3 LYS 36 2HE LYS 36 2.467 20.381 6.510 278 HZ1 LYS 36 3HZ LYS 36 0.710 18.641 8.118 279 HZ2 LYS 36 1HZ LYS 36 2.199 19.185 8.575 280 HZ3 LYS 36 2HZ LYS 36 0.956 20.252 8.373 281 HA PRO 37 HA PRO 37 -4.143 18.304 0.623 282 HB2 PRO 37 1HB PRO 37 -5.882 18.765 3.076 283 HB3 PRO 37 2HB PRO 37 -6.020 17.500 1.848 284 HG2 PRO 37 1HG PRO 37 -5.044 16.894 4.257 285 HG3 PRO 37 2HG PRO 37 -4.308 16.183 2.814 286 HD2 PRO 37 1HD PRO 37 -3.278 18.446 4.557 287 HD3 PRO 37 2HD PRO 37 -2.367 17.188 3.715 288 H LYS 38 H LYS 38 -5.380 19.662 -0.489 289 HA LYS 38 HA LYS 38 -5.093 22.518 0.143 290 HB2 LYS 38 1HB LYS 38 -6.547 21.047 -2.057 291 HB3 LYS 38 2HB LYS 38 -6.412 22.817 -1.927 292 HG2 LYS 38 1HG LYS 38 -3.941 22.609 -2.088 293 HG3 LYS 38 2HG LYS 38 -4.126 20.853 -2.308 294 HD2 LYS 38 1HD LYS 38 -5.455 21.247 -4.344 295 HD3 LYS 38 2HD LYS 38 -5.267 23.003 -4.125 296 HE2 LYS 38 1HE LYS 38 -2.837 22.782 -4.346 297 HE3 LYS 38 2HE LYS 38 -3.006 21.022 -4.533 298 HZ1 LYS 38 3HZ LYS 38 -4.099 23.054 -6.371 299 HZ2 LYS 38 1HZ LYS 38 -2.767 22.123 -6.654 300 HZ3 LYS 38 2HZ LYS 38 -4.257 21.421 -6.545 301 H ILE 39 H ILE 39 -6.199 22.303 2.242 302 HA ILE 39 HA ILE 39 -8.760 21.282 2.668 303 HB ILE 39 HB ILE 39 -7.539 23.815 3.862 304 HG12 ILE 39 1HG1 ILE 39 -6.162 21.917 4.235 305 HG13 ILE 39 2HG1 ILE 39 -6.972 22.401 5.743 306 HG21 ILE 39 1HG2 ILE 39 -9.156 23.479 5.701 307 HG22 ILE 39 2HG2 ILE 39 -9.992 23.753 4.155 308 HG23 ILE 39 3HG2 ILE 39 -9.871 22.108 4.822 309 HD11 ILE 39 3HD1 ILE 39 -7.780 20.079 3.957 310 HD12 ILE 39 1HD1 ILE 39 -6.921 19.949 5.509 311 HD13 ILE 39 2HD1 ILE 39 -8.591 20.564 5.465 312 H TYR 40 H TYR 40 -10.613 21.510 1.803 313 HA TYR 40 HA TYR 40 -11.366 24.222 0.762 314 HB2 TYR 40 1HB TYR 40 -12.429 21.464 0.102 315 HB3 TYR 40 2HB TYR 40 -13.104 22.996 -0.505 316 HD1 TYR 40 HD2 TYR 40 -11.456 24.534 -1.813 317 HD2 TYR 40 HD1 TYR 40 -10.763 20.381 -1.136 318 HE1 TYR 40 HE2 TYR 40 -9.860 24.504 -3.700 319 HE2 TYR 40 HE1 TYR 40 -9.161 20.333 -3.025 320 HH TYR 40 HH TYR 40 -8.430 23.246 -4.949 321 H TRP 41 H TRP 41 -13.127 25.252 1.439 322 HA TRP 41 HA TRP 41 -14.741 23.898 3.580 323 HB2 TRP 41 1HB TRP 41 -14.156 26.860 3.149 324 HB3 TRP 41 2HB TRP 41 -15.264 26.205 4.377 325 HD1 TRP 41 HD1 TRP 41 -11.693 26.607 3.530 326 HE1 TRP 41 HE1 TRP 41 -10.180 26.106 5.712 327 HE3 TRP 41 HE3 TRP 41 -15.354 24.810 6.563 328 HZ2 TRP 41 HZ2 TRP 41 -10.650 25.104 8.244 329 HZ3 TRP 41 HZ3 TRP 41 -14.826 24.097 8.812 330 HH2 TRP 41 HH2 TRP 41 -12.537 24.219 9.697 331 H PHE 42 H PHE 42 -16.848 23.673 3.377 332 HA PHE 42 HA PHE 42 -18.367 25.520 1.660 333 HB2 PHE 42 1HB PHE 42 -19.479 23.640 0.419 334 HB3 PHE 42 2HB PHE 42 -17.762 23.833 -0.002 335 HD1 PHE 42 HD2 PHE 42 -16.098 22.236 0.825 336 HD2 PHE 42 HD1 PHE 42 -20.289 21.677 1.437 337 HE1 PHE 42 HE2 PHE 42 -15.704 19.848 1.327 338 HE2 PHE 42 HE1 PHE 42 -19.899 19.289 1.942 339 HZ PHE 42 HZ PHE 42 -17.605 18.374 1.887 340 H LYS 43 H LYS 43 -20.535 25.626 2.101 341 HA LYS 43 HA LYS 43 -21.236 24.338 4.720 342 HB2 LYS 43 1HB LYS 43 -20.916 26.828 4.652 343 HB3 LYS 43 2HB LYS 43 -22.306 26.906 3.545 344 HG2 LYS 43 1HG LYS 43 -22.690 25.470 6.134 345 HG3 LYS 43 2HG LYS 43 -22.537 27.242 6.202 346 HD2 LYS 43 1HD LYS 43 -24.314 27.338 4.385 347 HD3 LYS 43 2HD LYS 43 -24.572 25.602 4.666 348 HE2 LYS 43 1HE LYS 43 -24.868 26.247 7.144 349 HE3 LYS 43 2HE LYS 43 -25.036 27.914 6.551 350 HZ1 LYS 43 3HZ LYS 43 -26.721 25.630 5.744 351 HZ2 LYS 43 1HZ LYS 43 -27.170 26.833 6.783 352 HZ3 LYS 43 2HZ LYS 43 -26.878 27.176 5.194 353 H ASP 44 H ASP 44 -22.551 22.713 4.506 354 HA ASP 44 HA ASP 44 -24.224 21.343 3.652 355 HB2 ASP 44 1HB ASP 44 -25.603 24.064 3.222 356 HB3 ASP 44 2HB ASP 44 -26.234 22.417 2.977 357 H GLY 45 H GLY 45 -22.079 22.149 1.869 358 HA2 GLY 45 1HA GLY 45 -21.728 21.182 -0.282 359 HA3 GLY 45 2HA GLY 45 -23.471 21.326 -0.620 360 H LYS 46 H LYS 46 -22.572 24.166 0.802 361 HA LYS 46 HA LYS 46 -22.407 25.518 -1.849 362 HB2 LYS 46 1HB LYS 46 -22.862 26.600 0.936 363 HB3 LYS 46 2HB LYS 46 -22.865 27.553 -0.567 364 HG2 LYS 46 1HG LYS 46 -24.828 26.342 -1.366 365 HG3 LYS 46 2HG LYS 46 -24.804 25.306 0.081 366 HD2 LYS 46 1HD LYS 46 -25.209 27.257 1.507 367 HD3 LYS 46 2HD LYS 46 -25.184 28.320 0.081 368 HE2 LYS 46 1HE LYS 46 -27.114 27.039 -0.844 369 HE3 LYS 46 2HE LYS 46 -27.176 26.111 0.672 370 HZ1 LYS 46 3HZ LYS 46 -27.531 29.030 0.434 371 HZ2 LYS 46 1HZ LYS 46 -28.739 27.935 0.681 372 HZ3 LYS 46 2HZ LYS 46 -27.589 28.170 1.840 373 H GLN 47 H GLN 47 -20.402 25.493 -2.586 374 HA GLN 47 HA GLN 47 -18.023 25.507 -1.086 375 HB2 GLN 47 1HB GLN 47 -18.228 25.095 -3.527 376 HB3 GLN 47 2HB GLN 47 -18.509 26.837 -3.760 377 HG2 GLN 47 1HG GLN 47 -15.998 27.180 -2.775 378 HG3 GLN 47 2HG GLN 47 -16.231 25.418 -2.690 379 HE21 GLN 47 2HE2 GLN 47 -14.056 26.417 -4.003 380 HE22 GLN 47 1HE2 GLN 47 -14.234 26.197 -5.712 381 H ILE 48 H ILE 48 -16.916 26.877 0.066 382 HA ILE 48 HA ILE 48 -17.922 29.700 0.205 383 HB ILE 48 HB ILE 48 -16.194 28.071 2.127 384 HG12 ILE 48 1HG1 ILE 48 -18.984 29.122 2.498 385 HG13 ILE 48 2HG1 ILE 48 -18.591 27.466 1.981 386 HG21 ILE 48 1HG2 ILE 48 -16.414 30.021 3.631 387 HG22 ILE 48 2HG2 ILE 48 -15.587 30.467 2.121 388 HG23 ILE 48 3HG2 ILE 48 -17.295 30.902 2.360 389 HD11 ILE 48 3HD1 ILE 48 -17.762 28.755 4.605 390 HD12 ILE 48 1HD1 ILE 48 -19.059 27.556 4.398 391 HD13 ILE 48 2HD1 ILE 48 -17.368 27.099 4.088 392 H SER 49 H SER 49 -16.921 31.265 -0.683 393 HA SER 49 HA SER 49 -14.119 31.003 -1.649 394 HB2 SER 49 1HB SER 49 -15.634 32.004 -3.064 395 HB3 SER 49 2HB SER 49 -16.102 33.189 -1.823 396 HG SER 49 HG SER 49 -13.926 33.922 -1.856 397 HA PRO 50 HA PRO 50 -12.334 32.615 2.129 398 HB2 PRO 50 1HB PRO 50 -10.202 33.479 0.135 399 HB3 PRO 50 2HB PRO 50 -10.001 32.573 1.642 400 HG2 PRO 50 1HG PRO 50 -9.820 31.290 -0.689 401 HG3 PRO 50 2HG PRO 50 -10.670 30.523 0.660 402 HD2 PRO 50 1HD PRO 50 -11.841 31.914 -1.784 403 HD3 PRO 50 2HD PRO 50 -12.396 30.445 -0.971 404 H LYS 51 H LYS 51 -12.479 34.436 3.142 405 HA LYS 51 HA LYS 51 -12.957 36.681 3.516 406 HB2 LYS 51 1HB LYS 51 -11.474 36.993 0.899 407 HB3 LYS 51 2HB LYS 51 -11.879 38.305 2.031 408 HG2 LYS 51 1HG LYS 51 -10.464 37.251 3.754 409 HG3 LYS 51 2HG LYS 51 -10.051 35.949 2.613 410 HD2 LYS 51 1HD LYS 51 -9.033 37.594 1.094 411 HD3 LYS 51 2HD LYS 51 -9.455 38.902 2.225 412 HE2 LYS 51 1HE LYS 51 -8.027 37.924 3.939 413 HE3 LYS 51 2HE LYS 51 -7.655 36.549 2.875 414 HZ1 LYS 51 3HZ LYS 51 -6.949 39.365 2.348 415 HZ2 LYS 51 1HZ LYS 51 -5.904 38.192 2.851 416 HZ3 LYS 51 2HZ LYS 51 -6.603 38.089 1.360 417 H SER 52 H SER 52 -15.133 35.496 2.786 418 HA SER 52 HA SER 52 -16.384 36.899 0.449 419 HB2 SER 52 1HB SER 52 -16.653 34.527 0.783 420 HB3 SER 52 2HB SER 52 -17.586 34.894 2.252 421 HG SER 52 HG SER 52 -18.932 34.681 0.436 422 H ASP 53 H ASP 53 -18.964 36.997 1.401 423 HA ASP 53 HA ASP 53 -19.087 39.581 2.565 424 HB2 ASP 53 1HB ASP 53 -21.230 37.372 2.479 425 HB3 ASP 53 2HB ASP 53 -21.350 39.036 3.102 426 H HIS 54 H HIS 54 -19.405 36.392 4.108 427 HA HIS 54 HA HIS 54 -18.753 37.711 6.704 428 HB2 HIS 54 1HB HIS 54 -21.057 35.759 6.258 429 HB3 HIS 54 2HB HIS 54 -20.473 36.317 7.844 430 HD2 HIS 54 HD2 HIS 54 -23.048 37.415 5.129 431 HE1 HIS 54 HE1 HIS 54 -22.423 40.647 7.815 432 HE2 HIS 54 HE2 HIS 54 -23.879 39.657 5.862 433 H TYR 55 H TYR 55 -17.998 35.446 4.441 434 HA TYR 55 HA TYR 55 -17.081 33.435 6.468 435 HB2 TYR 55 1HB TYR 55 -17.647 33.194 3.510 436 HB3 TYR 55 2HB TYR 55 -16.920 31.913 4.513 437 HD1 TYR 55 HD1 TYR 55 -18.853 32.975 6.910 438 HD2 TYR 55 HD2 TYR 55 -19.433 31.473 2.963 439 HE1 TYR 55 HE1 TYR 55 -21.115 32.187 7.547 440 HE2 TYR 55 HE2 TYR 55 -21.690 30.679 3.579 441 HH TYR 55 HH TYR 55 -23.386 31.670 6.189 442 H THR 56 H THR 56 -15.152 34.178 7.110 443 HA THR 56 HA THR 56 -13.131 34.795 5.003 444 HB THR 56 HB THR 56 -13.024 35.167 8.024 445 HG1 THR 56 HG1 THR 56 -13.165 37.405 7.407 446 HG21 THR 56 1HG2 THR 56 -10.970 36.455 7.552 447 HG22 THR 56 2HG2 THR 56 -10.801 34.764 7.022 448 HG23 THR 56 3HG2 THR 56 -11.109 36.045 5.826 449 H ILE 57 H ILE 57 -11.800 33.335 4.322 450 HA ILE 57 HA ILE 57 -11.180 31.010 6.125 451 HB ILE 57 HB ILE 57 -11.010 31.292 3.087 452 HG12 ILE 57 1HG1 ILE 57 -12.744 29.502 4.768 453 HG13 ILE 57 2HG1 ILE 57 -13.263 31.044 4.048 454 HG21 ILE 57 1HG2 ILE 57 -10.343 28.912 3.115 455 HG22 ILE 57 2HG2 ILE 57 -9.166 29.916 3.992 456 HG23 ILE 57 3HG2 ILE 57 -10.342 28.932 4.894 457 HD11 ILE 57 3HD1 ILE 57 -12.297 28.602 2.518 458 HD12 ILE 57 1HD1 ILE 57 -13.988 29.132 2.673 459 HD13 ILE 57 2HD1 ILE 57 -12.815 30.145 1.798 460 H GLN 58 H GLN 58 -9.295 30.719 6.939 461 HA GLN 58 HA GLN 58 -6.958 31.935 5.521 462 HB2 GLN 58 1HB GLN 58 -7.461 33.277 7.488 463 HB3 GLN 58 2HB GLN 58 -7.466 31.811 8.497 464 HG2 GLN 58 1HG GLN 58 -5.100 32.764 8.837 465 HG3 GLN 58 2HG GLN 58 -5.287 31.402 7.708 466 HE21 GLN 58 2HE2 GLN 58 -3.422 31.846 6.549 467 HE22 GLN 58 1HE2 GLN 58 -3.262 33.232 5.522 468 H ARG 59 H ARG 59 -5.866 30.355 4.673 469 HA ARG 59 HA ARG 59 -5.712 27.766 6.167 470 HB2 ARG 59 1HB ARG 59 -5.076 28.275 3.296 471 HB3 ARG 59 2HB ARG 59 -5.117 26.717 4.153 472 HG2 ARG 59 1HG ARG 59 -7.547 27.035 4.545 473 HG3 ARG 59 2HG ARG 59 -7.478 28.538 3.593 474 HD2 ARG 59 1HD ARG 59 -6.773 25.816 2.548 475 HD3 ARG 59 2HD ARG 59 -8.367 26.591 2.386 476 HE ARG 59 HE ARG 59 -6.427 28.333 1.136 477 HH11 ARG 59 1HH1 ARG 59 -7.741 25.141 0.645 478 HH12 ARG 59 2HH1 ARG 59 -7.496 25.299 -1.083 479 HH21 ARG 59 1HH2 ARG 59 -6.132 28.526 -0.840 480 HH22 ARG 59 2HH2 ARG 59 -6.577 27.229 -1.931 481 H ASP 60 H ASP 60 -4.051 27.644 7.464 482 HA ASP 60 HA ASP 60 -1.448 28.816 6.701 483 HB2 ASP 60 1HB ASP 60 -2.355 28.747 9.156 484 HB3 ASP 60 2HB ASP 60 -2.135 26.996 8.912 485 H LEU 61 H LEU 61 0.219 27.844 5.835 486 HA LEU 61 HA LEU 61 -0.173 25.292 4.554 487 HB2 LEU 61 1HB LEU 61 2.170 26.987 5.109 488 HB3 LEU 61 2HB LEU 61 2.353 25.582 4.034 489 HG LEU 61 HG LEU 61 0.610 28.030 3.549 490 HD11 LEU 61 1HD1 LEU 61 2.178 28.432 1.632 491 HD12 LEU 61 2HD1 LEU 61 3.044 28.431 3.186 492 HD13 LEU 61 3HD1 LEU 61 3.120 27.005 2.124 493 HD21 LEU 61 3HD2 LEU 61 -0.450 26.024 2.694 494 HD22 LEU 61 1HD2 LEU 61 0.140 27.021 1.343 495 HD23 LEU 61 2HD2 LEU 61 1.040 25.566 1.836 496 H ASP 62 H ASP 62 0.827 26.138 7.705 497 HA ASP 62 HA ASP 62 2.500 23.886 8.311 498 HB2 ASP 62 1HB ASP 62 1.948 26.061 9.782 499 HB3 ASP 62 2HB ASP 62 0.523 25.054 10.140 500 H GLY 63 H GLY 63 -0.973 24.232 8.008 501 HA2 GLY 63 1HA GLY 63 -1.902 21.987 7.208 502 HA3 GLY 63 2HA GLY 63 -1.233 21.338 8.723 503 H THR 64 H THR 64 -2.141 24.406 9.442 504 HA THR 64 HA THR 64 -4.843 23.513 10.383 505 HB THR 64 HB THR 64 -3.044 25.741 11.425 506 HG1 THR 64 HG1 THR 64 -3.803 23.614 13.047 507 HG21 THR 64 1HG2 THR 64 -4.710 25.914 13.240 508 HG22 THR 64 2HG2 THR 64 -5.450 26.259 11.657 509 HG23 THR 64 3HG2 THR 64 -5.713 24.682 12.437 510 H CYS 65 H CYS 65 -6.547 24.252 9.423 511 HA CYS 65 HA CYS 65 -6.414 26.952 8.037 512 HB2 CYS 65 1HB CYS 65 -7.863 24.331 7.454 513 HB3 CYS 65 2HB CYS 65 -8.077 25.841 6.535 514 HG CYS 65 HG CYS 65 -5.407 24.005 6.930 515 H SER 66 H SER 66 -8.013 28.383 8.491 516 HA SER 66 HA SER 66 -9.978 27.621 10.675 517 HB2 SER 66 1HB SER 66 -8.554 30.184 10.304 518 HB3 SER 66 2HB SER 66 -9.791 29.781 11.516 519 HG SER 66 HG SER 66 -7.643 29.546 12.298 520 H LEU 67 H LEU 67 -12.051 28.320 10.464 521 HA LEU 67 HA LEU 67 -12.684 30.181 8.204 522 HB2 LEU 67 1HB LEU 67 -13.297 28.114 7.529 523 HB3 LEU 67 2HB LEU 67 -14.157 27.621 9.006 524 HG LEU 67 HG LEU 67 -15.819 29.451 8.563 525 HD11 LEU 67 1HD1 LEU 67 -15.894 30.397 6.241 526 HD12 LEU 67 2HD1 LEU 67 -14.384 30.839 7.071 527 HD13 LEU 67 3HD1 LEU 67 -14.385 29.536 5.858 528 HD21 LEU 67 3HD2 LEU 67 -16.320 27.147 7.998 529 HD22 LEU 67 1HD2 LEU 67 -17.022 28.237 6.779 530 HD23 LEU 67 2HD2 LEU 67 -15.532 27.333 6.414 531 H HIS 68 H HIS 68 -13.500 31.995 8.841 532 HA HIS 68 HA HIS 68 -14.875 32.055 11.508 533 HB2 HIS 68 1HB HIS 68 -12.833 33.398 11.532 534 HB3 HIS 68 2HB HIS 68 -13.325 34.232 10.039 535 HD2 HIS 68 HD2 HIS 68 -14.761 36.617 10.502 536 HE1 HIS 68 HE1 HIS 68 -15.576 35.792 14.590 537 HE2 HIS 68 HE2 HIS 68 -15.742 37.523 12.618 538 H THR 69 H THR 69 -16.933 32.468 11.591 539 HA THR 69 HA THR 69 -18.221 33.836 9.265 540 HB THR 69 HB THR 69 -19.457 32.395 11.652 541 HG1 THR 69 HG1 THR 69 -20.092 30.942 9.853 542 HG21 THR 69 1HG2 THR 69 -21.573 32.641 10.401 543 HG22 THR 69 2HG2 THR 69 -20.873 34.230 10.795 544 HG23 THR 69 3HG2 THR 69 -20.723 33.576 9.147 545 H THR 70 H THR 70 -18.496 35.906 9.308 546 HA THR 70 HA THR 70 -17.859 37.477 11.636 547 HB THR 70 HB THR 70 -19.310 38.257 9.071 548 HG1 THR 70 HG1 THR 70 -17.193 39.066 8.547 549 HG21 THR 70 1HG2 THR 70 -18.680 40.565 9.683 550 HG22 THR 70 2HG2 THR 70 -19.745 39.844 10.914 551 HG23 THR 70 3HG2 THR 70 -17.996 39.973 11.214 552 H ALA 71 H ALA 71 -20.952 36.567 10.140 553 HA ALA 71 HA ALA 71 -22.286 37.268 12.693 554 HB1 ALA 71 3HB ALA 71 -23.143 38.366 9.994 555 HB2 ALA 71 1HB ALA 71 -24.047 38.528 11.518 556 HB3 ALA 71 2HB ALA 71 -22.459 39.305 11.336 557 H SER 72 H SER 72 -22.589 35.086 13.042 558 HA SER 72 HA SER 72 -23.741 33.274 11.037 559 HB2 SER 72 1HB SER 72 -22.224 32.498 12.630 560 HB3 SER 72 2HB SER 72 -23.333 32.945 13.946 561 HG SER 72 HG SER 72 -23.876 31.110 11.851 562 H THR 73 H THR 73 -25.787 33.708 10.361 563 HA THR 73 HA THR 73 -27.863 34.196 12.466 564 HB THR 73 HB THR 73 -29.264 35.138 10.712 565 HG1 THR 73 HG1 THR 73 -27.098 34.422 8.990 566 HG21 THR 73 1HG2 THR 73 -27.923 37.117 10.089 567 HG22 THR 73 2HG2 THR 73 -27.645 36.664 11.788 568 HG23 THR 73 3HG2 THR 73 -26.436 36.254 10.548 569 H LEU 74 H LEU 74 -30.121 33.495 11.402 570 HA LEU 74 HA LEU 74 -30.085 30.638 11.678 571 HB2 LEU 74 1HB LEU 74 -32.048 32.566 10.639 572 HB3 LEU 74 2HB LEU 74 -32.544 30.879 10.908 573 HG LEU 74 HG LEU 74 -31.606 32.851 13.029 574 HD11 LEU 74 1HD1 LEU 74 -33.960 32.655 13.874 575 HD12 LEU 74 2HD1 LEU 74 -33.921 33.286 12.211 576 HD13 LEU 74 3HD1 LEU 74 -34.346 31.583 12.508 577 HD21 LEU 74 3HD2 LEU 74 -30.883 30.594 13.541 578 HD22 LEU 74 1HD2 LEU 74 -32.188 31.079 14.649 579 HD23 LEU 74 2HD2 LEU 74 -32.534 29.977 13.294 580 H ASP 75 H ASP 75 -29.853 32.736 8.904 581 HA ASP 75 HA ASP 75 -30.273 30.556 6.980 582 HB2 ASP 75 1HB ASP 75 -29.193 33.415 6.625 583 HB3 ASP 75 2HB ASP 75 -29.340 32.107 5.425 584 H ASP 76 H ASP 76 -27.691 31.656 8.943 585 HA ASP 76 HA ASP 76 -25.668 30.309 7.221 586 HB2 ASP 76 1HB ASP 76 -25.243 31.853 9.850 587 HB3 ASP 76 2HB ASP 76 -24.099 31.087 8.721 588 H ASP 77 H ASP 77 -27.715 29.667 9.879 589 HA ASP 77 HA ASP 77 -26.249 27.606 11.195 590 HB2 ASP 77 1HB ASP 77 -28.554 28.545 11.922 591 HB3 ASP 77 2HB ASP 77 -29.111 27.654 10.487 592 H GLY 78 H GLY 78 -25.526 25.718 10.637 593 HA2 GLY 78 1HA GLY 78 -26.690 23.729 9.146 594 HA3 GLY 78 2HA GLY 78 -25.955 24.774 7.909 595 H ASN 79 H ASN 79 -24.662 22.846 7.423 596 HA ASN 79 HA ASN 79 -22.538 22.281 9.463 597 HB2 ASN 79 1HB ASN 79 -23.243 20.365 7.129 598 HB3 ASN 79 2HB ASN 79 -22.122 20.441 8.509 599 HD21 ASN 79 2HD2 ASN 79 -25.180 19.518 7.410 600 HD22 ASN 79 1HD2 ASN 79 -25.873 19.069 8.933 601 H TYR 80 H TYR 80 -20.807 23.442 9.181 602 HA TYR 80 HA TYR 80 -19.926 24.225 6.472 603 HB2 TYR 80 1HB TYR 80 -18.737 24.651 9.220 604 HB3 TYR 80 2HB TYR 80 -18.057 25.284 7.700 605 HD1 TYR 80 HD1 TYR 80 -21.084 25.418 9.884 606 HD2 TYR 80 HD2 TYR 80 -18.827 27.329 6.812 607 HE1 TYR 80 HE1 TYR 80 -22.532 27.420 10.074 608 HE2 TYR 80 HE2 TYR 80 -20.262 29.333 6.988 609 HH TYR 80 HH TYR 80 -23.205 29.389 8.814 610 H THR 81 H THR 81 -19.780 21.938 5.795 611 HA THR 81 HA THR 81 -17.897 20.162 7.066 612 HB THR 81 HB THR 81 -18.983 20.108 4.218 613 HG1 THR 81 HG1 THR 81 -20.480 18.605 5.173 614 HG21 THR 81 1HG2 THR 81 -18.429 17.704 4.319 615 HG22 THR 81 2HG2 THR 81 -16.973 18.706 4.532 616 HG23 THR 81 3HG2 THR 81 -17.735 17.931 5.941 617 H ILE 82 H ILE 82 -15.818 19.823 6.856 618 HA ILE 82 HA ILE 82 -14.350 21.433 4.781 619 HB ILE 82 HB ILE 82 -13.544 22.151 6.908 620 HG12 ILE 82 1HG1 ILE 82 -11.746 19.914 6.007 621 HG13 ILE 82 2HG1 ILE 82 -11.827 21.544 5.298 622 HG21 ILE 82 1HG2 ILE 82 -12.931 20.581 8.716 623 HG22 ILE 82 2HG2 ILE 82 -14.645 20.408 8.272 624 HG23 ILE 82 3HG2 ILE 82 -13.454 19.213 7.706 625 HD11 ILE 82 3HD1 ILE 82 -11.013 20.884 8.150 626 HD12 ILE 82 1HD1 ILE 82 -9.910 21.335 6.831 627 HD13 ILE 82 2HD1 ILE 82 -11.095 22.514 7.441 628 H MET 83 H MET 83 -12.939 20.572 3.442 629 HA MET 83 HA MET 83 -12.809 17.572 3.454 630 HB2 MET 83 1HB MET 83 -14.343 18.374 1.754 631 HB3 MET 83 2HB MET 83 -13.095 19.476 1.126 632 HG2 MET 83 1HG MET 83 -11.736 17.613 0.407 633 HG3 MET 83 2HG MET 83 -12.850 16.455 1.172 634 HE1 MET 83 3HE MET 83 -12.143 18.809 -1.849 635 HE2 MET 83 1HE MET 83 -13.727 18.911 -2.655 636 HE3 MET 83 2HE MET 83 -13.485 19.679 -1.067 637 H ALA 84 H ALA 84 -10.881 16.816 3.724 638 HA ALA 84 HA ALA 84 -8.547 18.515 3.090 639 HB1 ALA 84 3HB ALA 84 -8.731 15.775 4.389 640 HB2 ALA 84 1HB ALA 84 -7.249 16.745 4.212 641 HB3 ALA 84 2HB ALA 84 -8.579 17.329 5.240 642 H ALA 85 H ALA 85 -9.106 18.431 0.771 643 HA ALA 85 HA ALA 85 -8.706 15.847 -0.564 644 HB1 ALA 85 3HB ALA 85 -9.160 18.631 -1.691 645 HB2 ALA 85 1HB ALA 85 -9.149 17.119 -2.627 646 HB3 ALA 85 2HB ALA 85 -10.411 17.396 -1.406 647 H ASN 86 H ASN 86 -6.809 15.040 -1.012 648 HA ASN 86 HA ASN 86 -4.776 16.824 -2.241 649 HB2 ASN 86 1HB ASN 86 -2.994 16.350 -0.606 650 HB3 ASN 86 2HB ASN 86 -4.607 16.523 0.127 651 HD21 ASN 86 2HD2 ASN 86 -2.525 15.310 1.448 652 HD22 ASN 86 1HD2 ASN 86 -2.867 13.622 1.633 653 HA PRO 87 HA PRO 87 -3.766 13.707 -4.987 654 HB2 PRO 87 1HB PRO 87 -0.994 13.289 -3.794 655 HB3 PRO 87 2HB PRO 87 -1.428 13.724 -5.453 656 HG2 PRO 87 1HG PRO 87 -0.427 15.590 -3.833 657 HG3 PRO 87 2HG PRO 87 -1.765 16.007 -4.912 658 HD2 PRO 87 1HD PRO 87 -1.841 15.430 -1.923 659 HD3 PRO 87 2HD PRO 87 -2.732 16.652 -2.840 660 H GLN 88 H GLN 88 -3.431 12.940 -1.659 661 HA GLN 88 HA GLN 88 -3.201 10.029 -2.293 662 HB2 GLN 88 1HB GLN 88 -3.024 11.480 0.357 663 HB3 GLN 88 2HB GLN 88 -2.721 9.751 0.070 664 HG2 GLN 88 1HG GLN 88 -0.792 12.061 -0.817 665 HG3 GLN 88 2HG GLN 88 -0.819 10.727 0.360 666 HE21 GLN 88 2HE2 GLN 88 0.137 11.710 -2.720 667 HE22 GLN 88 1HE2 GLN 88 0.484 10.154 -3.399 668 H GLY 89 H GLY 89 -5.612 12.084 -2.234 669 HA2 GLY 89 1HA GLY 89 -7.827 10.898 -2.346 670 HA3 GLY 89 2HA GLY 89 -7.414 10.193 -0.767 671 H ARG 90 H ARG 90 -9.572 11.183 -0.264 672 HA ARG 90 HA ARG 90 -9.162 13.891 0.878 673 HB2 ARG 90 1HB ARG 90 -11.142 14.806 0.029 674 HB3 ARG 90 2HB ARG 90 -10.031 14.361 -1.287 675 HG2 ARG 90 1HG ARG 90 -11.380 12.340 -1.723 676 HG3 ARG 90 2HG ARG 90 -12.506 12.828 -0.433 677 HD2 ARG 90 1HD ARG 90 -13.019 14.853 -1.695 678 HD3 ARG 90 2HD ARG 90 -11.957 14.278 -3.002 679 HE ARG 90 HE ARG 90 -14.042 12.300 -2.606 680 HH11 ARG 90 1HH1 ARG 90 -13.722 15.585 -3.732 681 HH12 ARG 90 2HH1 ARG 90 -15.096 15.361 -4.796 682 HH21 ARG 90 1HH2 ARG 90 -15.623 12.030 -3.814 683 HH22 ARG 90 2HH2 ARG 90 -16.181 13.334 -4.844 684 H VAL 91 H VAL 91 -10.363 14.364 2.647 685 HA VAL 91 HA VAL 91 -12.382 12.334 3.549 686 HB VAL 91 HB VAL 91 -10.181 13.501 5.307 687 HG11 VAL 91 1HG1 VAL 91 -11.097 11.949 7.001 688 HG12 VAL 91 2HG1 VAL 91 -12.331 13.113 6.464 689 HG13 VAL 91 3HG1 VAL 91 -12.358 11.441 5.853 690 HG21 VAL 91 3HG2 VAL 91 -9.247 11.852 3.797 691 HG22 VAL 91 1HG2 VAL 91 -9.314 11.221 5.459 692 HG23 VAL 91 2HG2 VAL 91 -10.512 10.687 4.256 693 H SER 92 H SER 92 -14.138 13.069 4.423 694 HA SER 92 HA SER 92 -14.456 16.062 4.612 695 HB2 SER 92 1HB SER 92 -16.432 13.888 4.285 696 HB3 SER 92 2HB SER 92 -16.790 15.610 4.548 697 HG SER 92 HG SER 92 -16.750 15.040 2.330 698 H CYS 93 H CYS 93 -14.950 17.032 6.499 699 HA CYS 93 HA CYS 93 -15.868 15.344 8.841 700 HB2 CYS 93 1HB CYS 93 -13.452 15.852 8.948 701 HB3 CYS 93 2HB CYS 93 -13.797 17.581 8.699 702 HG CYS 93 HG CYS 93 -15.169 17.886 10.843 703 H THR 94 H THR 94 -17.551 16.203 9.939 704 HA THR 94 HA THR 94 -18.972 18.384 8.594 705 HB THR 94 HB THR 94 -19.704 16.797 11.089 706 HG1 THR 94 HG1 THR 94 -21.050 15.665 9.566 707 HG21 THR 94 1HG2 THR 94 -21.993 17.600 10.620 708 HG22 THR 94 2HG2 THR 94 -20.884 18.962 10.914 709 HG23 THR 94 3HG2 THR 94 -21.377 18.558 9.253 710 H GLY 95 H GLY 95 -18.911 20.433 9.017 711 HA2 GLY 95 1HA GLY 95 -17.810 21.316 11.638 712 HA3 GLY 95 2HA GLY 95 -17.958 22.315 10.173 713 H ARG 96 H ARG 96 -20.105 20.362 12.293 714 HA ARG 96 HA ARG 96 -22.486 21.757 11.569 715 HB2 ARG 96 1HB ARG 96 -22.466 19.561 12.554 716 HB3 ARG 96 2HB ARG 96 -21.931 20.267 14.097 717 HG2 ARG 96 1HG ARG 96 -24.006 21.538 14.264 718 HG3 ARG 96 2HG ARG 96 -24.537 20.914 12.684 719 HD2 ARG 96 1HD ARG 96 -24.580 18.667 13.606 720 HD3 ARG 96 2HD ARG 96 -24.095 19.321 15.189 721 HE ARG 96 HE ARG 96 -26.624 20.538 14.383 722 HH11 ARG 96 1HH1 ARG 96 -25.346 17.487 15.488 723 HH12 ARG 96 2HH1 ARG 96 -26.890 17.101 16.224 724 HH21 ARG 96 1HH2 ARG 96 -28.400 20.106 15.212 725 HH22 ARG 96 2HH2 ARG 96 -28.632 18.593 16.066 726 H LEU 97 H LEU 97 -23.158 23.708 11.931 727 HA LEU 97 HA LEU 97 -22.558 24.911 14.602 728 HB2 LEU 97 1HB LEU 97 -21.142 25.920 13.169 729 HB3 LEU 97 2HB LEU 97 -22.307 26.256 11.867 730 HG LEU 97 HG LEU 97 -23.525 27.772 13.479 731 HD11 LEU 97 1HD1 LEU 97 -22.216 28.594 15.455 732 HD12 LEU 97 2HD1 LEU 97 -22.549 26.851 15.580 733 HD13 LEU 97 3HD1 LEU 97 -20.938 27.416 15.079 734 HD21 LEU 97 3HD2 LEU 97 -22.091 28.662 11.739 735 HD22 LEU 97 1HD2 LEU 97 -21.943 29.651 13.211 736 HD23 LEU 97 2HD2 LEU 97 -20.663 28.488 12.787 737 H MET 98 H MET 98 -24.347 25.041 15.683 738 HA MET 98 HA MET 98 -26.897 25.536 14.201 739 HB2 MET 98 1HB MET 98 -26.338 24.611 17.021 740 HB3 MET 98 2HB MET 98 -27.954 24.881 16.325 741 HG2 MET 98 1HG MET 98 -25.927 22.857 15.325 742 HG3 MET 98 2HG MET 98 -27.306 22.484 16.386 743 HE1 MET 98 3HE MET 98 -29.663 24.203 15.299 744 HE2 MET 98 1HE MET 98 -30.387 23.112 14.093 745 HE3 MET 98 2HE MET 98 -29.802 22.461 15.643 746 H VAL 99 H VAL 99 -28.216 27.206 14.574 747 HA VAL 99 HA VAL 99 -27.056 29.433 16.250 748 HB VAL 99 HB VAL 99 -28.673 29.618 13.674 749 HG11 VAL 99 1HG1 VAL 99 -28.206 32.039 13.858 750 HG12 VAL 99 2HG1 VAL 99 -29.128 31.455 15.264 751 HG13 VAL 99 3HG1 VAL 99 -27.380 31.761 15.410 752 HG21 VAL 99 3HG2 VAL 99 -26.414 28.863 13.233 753 HG22 VAL 99 1HG2 VAL 99 -26.638 30.540 12.684 754 HG23 VAL 99 2HG2 VAL 99 -25.756 30.209 14.194 755 H GLN 100 H GLN 100 -28.124 30.019 17.911 756 HA GLN 100 HA GLN 100 -30.958 29.270 18.210 757 HB2 GLN 100 1HB GLN 100 -29.617 29.109 20.157 758 HB3 GLN 100 2HB GLN 100 -28.953 30.742 19.914 759 HG2 GLN 100 1HG GLN 100 -30.751 31.064 21.737 760 HG3 GLN 100 2HG GLN 100 -31.144 31.552 20.072 761 HE21 GLN 100 2HE2 GLN 100 -33.363 31.405 20.337 762 HE22 GLN 100 1HE2 GLN 100 -34.186 29.895 20.545 763 H ALA 101 H ALA 101 -32.583 30.362 17.483 764 HA ALA 101 HA ALA 101 -32.364 32.928 16.276 765 HB1 ALA 101 3HB ALA 101 -34.814 31.542 17.417 766 HB2 ALA 101 1HB ALA 101 -34.829 32.931 16.305 767 HB3 ALA 101 2HB ALA 101 -34.183 31.363 15.763 768 H VAL 102 H VAL 102 -32.488 34.950 16.960 769 HA VAL 102 HA VAL 102 -33.174 35.418 19.861 770 HB VAL 102 HB VAL 102 -31.192 36.935 18.112 771 HG11 VAL 102 1HG1 VAL 102 -30.674 38.149 20.203 772 HG12 VAL 102 2HG1 VAL 102 -32.379 38.364 19.743 773 HG13 VAL 102 3HG1 VAL 102 -31.946 37.235 21.049 774 HG21 VAL 102 3HG2 VAL 102 -30.310 34.768 18.743 775 HG22 VAL 102 1HG2 VAL 102 -29.478 36.070 19.625 776 HG23 VAL 102 2HG2 VAL 102 -30.708 35.082 20.449 777 H ASN 103 H ASN 103 -35.035 36.286 20.095 778 HA ASN 103 HA ASN 103 -36.378 37.599 17.865 779 HB2 ASN 103 1HB ASN 103 -37.388 37.343 20.794 780 HB3 ASN 103 2HB ASN 103 -37.972 38.125 19.305 781 HD21 ASN 103 2HD2 ASN 103 -39.005 35.883 20.974 782 HD22 ASN 103 1HD2 ASN 103 -39.255 34.577 19.863 783 H GLN 104 H GLN 104 -34.252 38.660 20.328 784 HA GLN 104 HA GLN 104 -35.239 41.452 20.208 785 HB2 GLN 104 1HB GLN 104 -32.874 40.219 21.639 786 HB3 GLN 104 2HB GLN 104 -33.447 41.895 21.808 787 HG2 GLN 104 1HG GLN 104 -34.988 39.393 22.919 788 HG3 GLN 104 2HG GLN 104 -34.019 40.737 23.567 789 HE21 GLN 104 2HE2 GLN 104 -37.108 39.639 22.984 790 HE22 GLN 104 1HE2 GLN 104 -37.955 41.150 22.999 791 H ARG 105 H ARG 105 -33.313 39.507 18.337 792 HA ARG 105 HA ARG 105 -31.192 41.379 17.687 793 HB2 ARG 105 1HB ARG 105 -30.908 39.050 17.327 794 HB3 ARG 105 2HB ARG 105 -32.246 39.044 16.154 795 HG2 ARG 105 1HG ARG 105 -30.200 39.040 14.912 796 HG3 ARG 105 2HG ARG 105 -30.925 40.658 14.758 797 HD2 ARG 105 1HD ARG 105 -28.603 40.903 15.035 798 HD3 ARG 105 2HD ARG 105 -29.400 41.431 16.535 799 HE ARG 105 HE ARG 105 -28.359 38.677 16.773 800 HH11 ARG 105 1HH1 ARG 105 -27.439 42.036 16.944 801 HH12 ARG 105 2HH1 ARG 105 -26.127 41.627 18.032 802 HH21 ARG 105 1HH2 ARG 105 -26.857 38.192 18.012 803 HH22 ARG 105 2HH2 ARG 105 -25.794 39.435 18.642 804 H GLY 106 H GLY 106 -31.517 43.300 16.896 805 HA2 GLY 106 1HA GLY 106 -33.935 43.986 15.451 806 HA3 GLY 106 2HA GLY 106 -32.532 45.040 15.744 807 H ARG 107 H ARG 107 -30.892 42.671 14.562 808 HA ARG 107 HA ARG 107 -31.095 43.651 11.758 809 HB2 ARG 107 1HB ARG 107 -28.972 42.053 13.117 810 HB3 ARG 107 2HB ARG 107 -28.986 42.535 11.405 811 HG2 ARG 107 1HG ARG 107 -28.963 44.903 12.074 812 HG3 ARG 107 2HG ARG 107 -28.936 44.415 13.787 813 HD2 ARG 107 1HD ARG 107 -26.789 43.335 13.424 814 HD3 ARG 107 2HD ARG 107 -26.815 43.883 11.732 815 HE ARG 107 HE ARG 107 -26.922 46.253 13.355 816 HH11 ARG 107 1HH1 ARG 107 -24.701 43.610 12.866 817 HH12 ARG 107 2HH1 ARG 107 -23.353 44.667 13.232 818 HH21 ARG 107 1HH2 ARG 107 -25.389 47.475 13.785 819 HH22 ARG 107 2HH2 ARG 107 -23.743 46.871 13.757 820 H SER 108 H SER 108 -32.513 41.288 13.503 821 HA SER 108 HA SER 108 -32.109 38.867 11.968 822 HB2 SER 108 1HB SER 108 -32.940 38.863 14.161 823 HB3 SER 108 2HB SER 108 -34.417 39.694 13.621 824 HG SER 108 HG SER 108 -33.500 37.107 12.964 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 13.097 6.750 4.752 2 H2 GLY 1 2H GLY 1 13.808 5.573 5.351 3 H3 GLY 1 3H GLY 1 12.954 5.392 4.132 4 HA2 GLY 1 1HA GLY 1 12.074 5.090 6.815 5 HA3 GLY 1 2HA GLY 1 11.230 6.487 6.104 6 H GLY 2 H GLY 2 10.449 5.969 3.734 7 HA2 GLY 2 1HA GLY 2 9.750 3.358 2.945 8 HA3 GLY 2 2HA GLY 2 8.432 3.949 3.984 9 H SER 3 H SER 3 6.831 4.968 2.997 10 HA SER 3 HA SER 3 6.991 5.728 0.140 11 HB2 SER 3 1HB SER 3 4.758 6.167 0.261 12 HB3 SER 3 2HB SER 3 5.096 4.625 1.078 13 HG SER 3 HG SER 3 3.642 5.909 2.264 14 H ASN 4 H ASN 4 7.421 7.268 3.242 15 HA ASN 4 HA ASN 4 7.628 9.494 3.886 16 HB2 ASN 4 1HB ASN 4 9.528 9.284 1.856 17 HB3 ASN 4 2HB ASN 4 8.115 10.128 1.178 18 HD21 ASN 4 2HD2 ASN 4 9.758 11.796 0.828 19 HD22 ASN 4 1HD2 ASN 4 10.058 12.933 2.100 20 H ALA 5 H ALA 5 5.050 8.779 3.345 21 HA ALA 5 HA ALA 5 3.939 11.405 2.656 22 HB1 ALA 5 3HB ALA 5 3.211 8.952 1.021 23 HB2 ALA 5 1HB ALA 5 2.399 10.531 0.942 24 HB3 ALA 5 2HB ALA 5 4.098 10.377 0.434 25 H THR 6 H THR 6 1.723 11.647 3.205 26 HA THR 6 HA THR 6 0.577 9.474 4.892 27 HB THR 6 HB THR 6 0.961 12.338 5.857 28 HG1 THR 6 HG1 THR 6 2.144 9.878 6.713 29 HG21 THR 6 1HG2 THR 6 -0.002 11.482 7.964 30 HG22 THR 6 2HG2 THR 6 -1.151 11.305 6.616 31 HG23 THR 6 3HG2 THR 6 -0.247 9.891 7.206 32 H ALA 7 H ALA 7 -1.456 9.151 4.508 33 HA ALA 7 HA ALA 7 -2.926 10.797 2.678 34 HB1 ALA 7 3HB ALA 7 -3.905 8.671 4.611 35 HB2 ALA 7 1HB ALA 7 -4.838 9.353 3.257 36 HB3 ALA 7 2HB ALA 7 -3.372 8.399 2.936 37 HA PRO 8 HA PRO 8 -4.508 14.050 5.137 38 HB2 PRO 8 1HB PRO 8 -7.083 13.543 3.589 39 HB3 PRO 8 2HB PRO 8 -6.197 15.061 3.789 40 HG2 PRO 8 1HG PRO 8 -6.056 13.766 1.464 41 HG3 PRO 8 2HG PRO 8 -4.596 14.505 2.133 42 HD2 PRO 8 1HD PRO 8 -5.411 11.572 2.127 43 HD3 PRO 8 2HD PRO 8 -3.809 12.279 1.881 44 H PHE 9 H PHE 9 -5.122 14.022 7.108 45 HA PHE 9 HA PHE 9 -7.691 12.774 7.820 46 HB2 PHE 9 1HB PHE 9 -6.189 10.853 8.125 47 HB3 PHE 9 2HB PHE 9 -5.099 11.841 9.121 48 HD1 PHE 9 HD1 PHE 9 -8.499 10.387 8.956 49 HD2 PHE 9 HD2 PHE 9 -5.452 12.115 11.401 50 HE1 PHE 9 HE1 PHE 9 -9.754 9.728 10.982 51 HE2 PHE 9 HE2 PHE 9 -6.702 11.455 13.430 52 HZ PHE 9 HZ PHE 9 -8.855 10.262 13.219 53 H PHE 10 H PHE 10 -8.754 14.035 9.111 54 HA PHE 10 HA PHE 10 -7.569 16.464 10.141 55 HB2 PHE 10 1HB PHE 10 -10.256 15.104 10.574 56 HB3 PHE 10 2HB PHE 10 -9.818 16.646 11.343 57 HD1 PHE 10 HD2 PHE 10 -9.209 18.591 9.862 58 HD2 PHE 10 HD1 PHE 10 -11.084 15.035 8.417 59 HE1 PHE 10 HE2 PHE 10 -9.975 19.814 7.854 60 HE2 PHE 10 HE1 PHE 10 -11.850 16.253 6.407 61 HZ PHE 10 HZ PHE 10 -11.295 18.642 6.125 62 H GLU 11 H GLU 11 -5.798 15.824 11.369 63 HA GLU 11 HA GLU 11 -5.981 14.190 13.718 64 HB2 GLU 11 1HB GLU 11 -3.923 15.167 14.373 65 HB3 GLU 11 2HB GLU 11 -3.885 14.896 12.614 66 HG2 GLU 11 1HG GLU 11 -4.374 17.391 12.292 67 HG3 GLU 11 2HG GLU 11 -4.354 17.464 14.069 68 H MET 12 H MET 12 -6.907 17.506 13.094 69 HA MET 12 HA MET 12 -8.120 17.488 15.837 70 HB2 MET 12 1HB MET 12 -6.291 19.100 15.717 71 HB3 MET 12 2HB MET 12 -7.048 19.848 14.289 72 HG2 MET 12 1HG MET 12 -8.983 20.496 15.642 73 HG3 MET 12 2HG MET 12 -8.257 19.722 17.070 74 HE1 MET 12 3HE MET 12 -8.402 22.821 14.764 75 HE2 MET 12 1HE MET 12 -6.858 23.650 15.073 76 HE3 MET 12 2HE MET 12 -6.877 22.104 14.190 77 H LYS 13 H LYS 13 -10.194 17.169 15.681 78 HA LYS 13 HA LYS 13 -11.520 17.868 13.101 79 HB2 LYS 13 1HB LYS 13 -12.352 16.042 15.357 80 HB3 LYS 13 2HB LYS 13 -13.273 16.332 13.862 81 HG2 LYS 13 1HG LYS 13 -11.353 15.412 12.559 82 HG3 LYS 13 2HG LYS 13 -10.545 15.018 14.095 83 HD2 LYS 13 1HD LYS 13 -12.395 13.541 14.716 84 HD3 LYS 13 2HD LYS 13 -13.259 13.971 13.220 85 HE2 LYS 13 1HE LYS 13 -11.413 13.025 11.890 86 HE3 LYS 13 2HE LYS 13 -10.567 12.579 13.390 87 HZ1 LYS 13 3HZ LYS 13 -13.197 11.552 12.534 88 HZ2 LYS 13 1HZ LYS 13 -11.773 10.722 12.464 89 HZ3 LYS 13 2HZ LYS 13 -12.413 11.139 13.926 90 H LEU 14 H LEU 14 -13.871 18.407 13.257 91 HA LEU 14 HA LEU 14 -14.055 20.766 15.039 92 HB2 LEU 14 1HB LEU 14 -15.738 19.682 12.877 93 HB3 LEU 14 2HB LEU 14 -16.112 21.262 13.604 94 HG LEU 14 HG LEU 14 -13.585 20.570 12.055 95 HD11 LEU 14 1HD1 LEU 14 -14.521 22.108 10.308 96 HD12 LEU 14 2HD1 LEU 14 -15.596 20.720 10.588 97 HD13 LEU 14 3HD1 LEU 14 -15.990 22.306 11.291 98 HD21 LEU 14 3HD2 LEU 14 -13.190 22.229 13.778 99 HD22 LEU 14 1HD2 LEU 14 -13.119 22.994 12.173 100 HD23 LEU 14 2HD2 LEU 14 -14.561 23.202 13.197 101 H LYS 15 H LYS 15 -16.004 21.289 16.179 102 HA LYS 15 HA LYS 15 -17.404 18.828 17.187 103 HB2 LYS 15 1HB LYS 15 -16.663 21.368 18.647 104 HB3 LYS 15 2HB LYS 15 -17.679 20.062 19.302 105 HG2 LYS 15 1HG LYS 15 -15.790 18.500 19.144 106 HG3 LYS 15 2HG LYS 15 -14.770 19.794 18.469 107 HD2 LYS 15 1HD LYS 15 -15.031 21.092 20.539 108 HD3 LYS 15 2HD LYS 15 -16.070 19.815 21.215 109 HE2 LYS 15 1HE LYS 15 -14.208 18.217 21.060 110 HE3 LYS 15 2HE LYS 15 -13.169 19.494 20.387 111 HZ1 LYS 15 3HZ LYS 15 -14.391 19.517 23.071 112 HZ2 LYS 15 1HZ LYS 15 -12.806 19.201 22.742 113 HZ3 LYS 15 2HZ LYS 15 -13.428 20.701 22.447 114 H HIS 16 H HIS 16 -19.541 19.240 18.128 115 HA HIS 16 HA HIS 16 -21.240 20.718 16.330 116 HB2 HIS 16 1HB HIS 16 -22.022 18.741 17.659 117 HB3 HIS 16 2HB HIS 16 -21.865 19.711 19.143 118 HD1 HIS 16 HD1 HIS 16 -24.495 18.930 19.194 119 HD2 HIS 16 HD2 HIS 16 -23.477 22.009 16.502 120 HE1 HIS 16 HE1 HIS 16 -26.600 20.007 18.573 121 H TYR 17 H TYR 17 -21.328 22.802 16.113 122 HA TYR 17 HA TYR 17 -20.620 24.514 18.453 123 HB2 TYR 17 1HB TYR 17 -20.906 25.159 15.508 124 HB3 TYR 17 2HB TYR 17 -20.398 26.291 16.786 125 HD1 TYR 17 HD2 TYR 17 -18.308 25.478 18.200 126 HD2 TYR 17 HD1 TYR 17 -19.244 24.083 14.280 127 HE1 TYR 17 HE2 TYR 17 -15.956 24.782 17.898 128 HE2 TYR 17 HE1 TYR 17 -16.890 23.379 13.960 129 HH TYR 17 HH TYR 17 -14.411 23.906 16.468 130 H LYS 18 H LYS 18 -21.898 26.033 19.303 131 HA LYS 18 HA LYS 18 -24.626 26.359 18.116 132 HB2 LYS 18 1HB LYS 18 -23.920 25.945 21.025 133 HB3 LYS 18 2HB LYS 18 -25.513 26.457 20.420 134 HG2 LYS 18 1HG LYS 18 -25.635 24.315 19.123 135 HG3 LYS 18 2HG LYS 18 -24.127 23.804 19.917 136 HD2 LYS 18 1HD LYS 18 -25.216 24.008 22.117 137 HD3 LYS 18 2HD LYS 18 -26.725 24.517 21.322 138 HE2 LYS 18 1HE LYS 18 -26.938 22.382 20.220 139 HE3 LYS 18 2HE LYS 18 -25.339 21.870 20.809 140 HZ1 LYS 18 3HZ LYS 18 -27.691 22.425 22.501 141 HZ2 LYS 18 1HZ LYS 18 -27.114 20.927 22.123 142 HZ3 LYS 18 2HZ LYS 18 -26.208 21.952 23.047 143 H ILE 19 H ILE 19 -24.595 28.339 17.349 144 HA ILE 19 HA ILE 19 -23.432 30.502 19.092 145 HB ILE 19 HB ILE 19 -23.330 30.275 16.049 146 HG12 ILE 19 1HG1 ILE 19 -21.808 28.747 17.117 147 HG13 ILE 19 2HG1 ILE 19 -20.962 30.062 16.269 148 HG21 ILE 19 1HG2 ILE 19 -21.963 32.329 16.190 149 HG22 ILE 19 2HG2 ILE 19 -23.590 32.597 16.857 150 HG23 ILE 19 3HG2 ILE 19 -22.206 32.372 17.952 151 HD11 ILE 19 3HD1 ILE 19 -21.412 29.882 19.268 152 HD12 ILE 19 1HD1 ILE 19 -19.882 29.555 18.424 153 HD13 ILE 19 2HD1 ILE 19 -20.567 31.198 18.419 154 H PHE 20 H PHE 20 -24.430 32.371 19.305 155 HA PHE 20 HA PHE 20 -27.302 32.303 18.848 156 HB2 PHE 20 1HB PHE 20 -25.398 34.384 19.977 157 HB3 PHE 20 2HB PHE 20 -27.140 34.683 19.778 158 HD1 PHE 20 HD2 PHE 20 -28.770 33.281 21.014 159 HD2 PHE 20 HD1 PHE 20 -24.567 33.141 21.769 160 HE1 PHE 20 HE2 PHE 20 -29.201 32.237 23.212 161 HE2 PHE 20 HE1 PHE 20 -24.995 32.094 23.967 162 HZ PHE 20 HZ PHE 20 -27.312 31.642 24.689 163 H GLU 21 H GLU 21 -28.584 33.633 17.625 164 HA GLU 21 HA GLU 21 -27.736 34.071 14.951 165 HB2 GLU 21 1HB GLU 21 -30.074 33.868 15.687 166 HB3 GLU 21 2HB GLU 21 -29.945 35.454 16.484 167 HG2 GLU 21 1HG GLU 21 -29.550 36.514 14.202 168 HG3 GLU 21 2HG GLU 21 -29.662 34.856 13.569 169 H GLY 22 H GLY 22 -26.406 35.427 14.079 170 HA2 GLY 22 1HA GLY 22 -25.776 37.613 13.428 171 HA3 GLY 22 2HA GLY 22 -26.542 38.267 14.893 172 H MET 23 H MET 23 -24.890 35.700 16.010 173 HA MET 23 HA MET 23 -22.723 37.428 17.035 174 HB2 MET 23 1HB MET 23 -23.977 35.984 18.543 175 HB3 MET 23 2HB MET 23 -23.486 34.559 17.597 176 HG2 MET 23 1HG MET 23 -21.155 34.925 18.204 177 HG3 MET 23 2HG MET 23 -21.596 36.405 19.087 178 HE1 MET 23 3HE MET 23 -19.996 35.014 20.977 179 HE2 MET 23 1HE MET 23 -20.531 33.481 21.706 180 HE3 MET 23 2HE MET 23 -20.019 33.526 20.001 181 HA PRO 24 HA PRO 24 -19.696 35.852 14.206 182 HB2 PRO 24 1HB PRO 24 -17.500 36.993 15.411 183 HB3 PRO 24 2HB PRO 24 -18.639 37.997 14.505 184 HG2 PRO 24 1HG PRO 24 -18.461 37.551 17.503 185 HG3 PRO 24 2HG PRO 24 -18.666 39.067 16.617 186 HD2 PRO 24 1HD PRO 24 -20.803 37.764 17.745 187 HD3 PRO 24 2HD PRO 24 -20.979 38.697 16.255 188 H VAL 25 H VAL 25 -18.232 34.260 14.108 189 HA VAL 25 HA VAL 25 -17.291 32.938 16.585 190 HB VAL 25 HB VAL 25 -19.546 31.926 16.262 191 HG11 VAL 25 1HG1 VAL 25 -19.961 30.550 14.250 192 HG12 VAL 25 2HG1 VAL 25 -19.727 32.262 13.820 193 HG13 VAL 25 3HG1 VAL 25 -18.411 31.093 13.562 194 HG21 VAL 25 3HG2 VAL 25 -17.758 30.605 17.224 195 HG22 VAL 25 1HG2 VAL 25 -18.820 29.594 16.218 196 HG23 VAL 25 2HG2 VAL 25 -17.231 30.101 15.600 197 H THR 26 H THR 26 -15.407 32.065 16.396 198 HA THR 26 HA THR 26 -14.432 31.461 13.621 199 HB THR 26 HB THR 26 -12.778 32.370 16.012 200 HG1 THR 26 HG1 THR 26 -13.690 33.710 13.666 201 HG21 THR 26 1HG2 THR 26 -10.941 32.482 14.365 202 HG22 THR 26 2HG2 THR 26 -11.587 30.828 14.493 203 HG23 THR 26 3HG2 THR 26 -12.030 31.852 13.107 204 H PHE 27 H PHE 27 -13.849 29.495 13.178 205 HA PHE 27 HA PHE 27 -12.768 27.748 15.306 206 HB2 PHE 27 1HB PHE 27 -14.376 25.902 14.691 207 HB3 PHE 27 2HB PHE 27 -15.157 27.270 15.516 208 HD1 PHE 27 HD2 PHE 27 -16.518 28.869 14.231 209 HD2 PHE 27 HD1 PHE 27 -14.967 25.282 12.507 210 HE1 PHE 27 HE2 PHE 27 -18.158 29.049 12.389 211 HE2 PHE 27 HE1 PHE 27 -16.602 25.459 10.662 212 HZ PHE 27 HZ PHE 27 -18.197 27.343 10.602 213 H THR 28 H THR 28 -11.882 25.735 14.474 214 HA THR 28 HA THR 28 -10.946 25.971 11.669 215 HB THR 28 HB THR 28 -9.515 27.578 12.955 216 HG1 THR 28 HG1 THR 28 -7.534 26.578 12.249 217 HG21 THR 28 1HG2 THR 28 -7.923 26.670 14.610 218 HG22 THR 28 2HG2 THR 28 -9.606 26.440 15.146 219 HG23 THR 28 3HG2 THR 28 -8.691 25.071 14.472 220 H CYS 29 H CYS 29 -9.567 24.259 10.993 221 HA CYS 29 HA CYS 29 -9.586 21.806 12.765 222 HB2 CYS 29 1HB CYS 29 -11.562 22.260 11.042 223 HB3 CYS 29 2HB CYS 29 -10.349 21.720 9.855 224 HG CYS 29 HG CYS 29 -12.077 19.893 10.411 225 H ARG 30 H ARG 30 -7.968 20.321 12.269 226 HA ARG 30 HA ARG 30 -5.811 21.376 10.466 227 HB2 ARG 30 1HB ARG 30 -5.265 21.952 12.707 228 HB3 ARG 30 2HB ARG 30 -5.474 20.260 13.218 229 HG2 ARG 30 1HG ARG 30 -3.592 19.578 11.832 230 HG3 ARG 30 2HG ARG 30 -3.411 21.240 11.221 231 HD2 ARG 30 1HD ARG 30 -3.123 20.470 14.103 232 HD3 ARG 30 2HD ARG 30 -1.775 20.533 12.944 233 HE ARG 30 HE ARG 30 -2.841 23.156 12.902 234 HH11 ARG 30 1HH1 ARG 30 -1.725 21.063 15.459 235 HH12 ARG 30 2HH1 ARG 30 -1.207 22.459 16.383 236 HH21 ARG 30 1HH2 ARG 30 -2.261 24.765 13.953 237 HH22 ARG 30 2HH2 ARG 30 -1.513 24.571 15.527 238 H VAL 31 H VAL 31 -4.739 19.995 9.231 239 HA VAL 31 HA VAL 31 -5.608 17.109 9.368 240 HB VAL 31 HB VAL 31 -4.923 18.791 6.921 241 HG11 VAL 31 1HG1 VAL 31 -5.583 16.770 5.658 242 HG12 VAL 31 2HG1 VAL 31 -4.199 16.435 6.726 243 HG13 VAL 31 3HG1 VAL 31 -5.830 15.895 7.188 244 HG21 VAL 31 3HG2 VAL 31 -7.100 19.370 7.811 245 HG22 VAL 31 1HG2 VAL 31 -7.259 18.467 6.286 246 HG23 VAL 31 2HG2 VAL 31 -7.567 17.653 7.839 247 H ALA 32 H ALA 32 -4.176 15.647 9.669 248 HA ALA 32 HA ALA 32 -1.321 16.353 9.473 249 HB1 ALA 32 3HB ALA 32 -2.693 13.756 10.255 250 HB2 ALA 32 1HB ALA 32 -0.949 14.084 10.366 251 HB3 ALA 32 2HB ALA 32 -2.090 15.005 11.371 252 H GLY 33 H GLY 33 -1.731 16.799 7.100 253 HA2 GLY 33 1HA GLY 33 -1.726 14.263 5.513 254 HA3 GLY 33 2HA GLY 33 -2.231 15.858 4.908 255 H ASN 34 H ASN 34 -0.262 14.020 3.770 256 HA ASN 34 HA ASN 34 1.813 16.035 3.314 257 HB2 ASN 34 3HB ASN 34 2.582 14.734 5.429 258 HB3 ASN 34 2HB ASN 34 2.624 13.267 4.480 259 HD21 ASN 34 2HD2 ASN 34 4.803 14.265 5.881 260 HD22 ASN 34 1HD2 ASN 34 6.054 14.666 4.590 261 HA PRO 35 HA PRO 35 2.609 16.833 1.971 262 HB2 PRO 35 1HB PRO 35 1.359 17.546 -0.669 263 HB3 PRO 35 2HB PRO 35 3.023 17.813 -0.134 264 HG2 PRO 35 1HG PRO 35 2.474 15.946 -1.989 265 HG3 PRO 35 2HG PRO 35 3.722 15.655 -0.769 266 HD2 PRO 35 1HD PRO 35 0.840 14.636 -0.817 267 HD3 PRO 35 2HD PRO 35 2.319 13.745 -0.436 268 H LYS 36 H LYS 36 1.531 18.918 2.121 269 HA LYS 36 HA LYS 36 -0.940 18.620 3.524 270 HB2 LYS 36 1HB LYS 36 0.572 20.959 2.408 271 HB3 LYS 36 2HB LYS 36 -1.037 21.165 3.141 272 HG2 LYS 36 1HG LYS 36 0.794 21.638 4.739 273 HG3 LYS 36 2HG LYS 36 -0.230 20.279 5.257 274 HD2 LYS 36 1HD LYS 36 1.465 18.724 4.232 275 HD3 LYS 36 2HD LYS 36 2.513 20.137 3.967 276 HE2 LYS 36 1HE LYS 36 3.169 19.013 6.013 277 HE3 LYS 36 2HE LYS 36 2.467 20.601 6.394 278 HZ1 LYS 36 3HZ LYS 36 1.060 18.016 6.589 279 HZ2 LYS 36 1HZ LYS 36 1.640 18.890 7.862 280 HZ3 LYS 36 2HZ LYS 36 0.408 19.490 6.942 281 HA PRO 37 HA PRO 37 -3.494 18.225 -0.035 282 HB2 PRO 37 1HB PRO 37 -5.836 17.678 1.350 283 HB3 PRO 37 2HB PRO 37 -4.567 16.457 1.176 284 HG2 PRO 37 1HG PRO 37 -5.124 18.309 3.516 285 HG3 PRO 37 2HG PRO 37 -4.760 16.579 3.531 286 HD2 PRO 37 1HD PRO 37 -2.817 18.418 4.068 287 HD3 PRO 37 2HD PRO 37 -2.429 16.930 3.194 288 H LYS 38 H LYS 38 -5.532 19.095 -0.851 289 HA LYS 38 HA LYS 38 -5.539 21.996 -0.404 290 HB2 LYS 38 1HB LYS 38 -7.191 20.181 -2.166 291 HB3 LYS 38 2HB LYS 38 -7.321 21.956 -2.132 292 HG2 LYS 38 1HG LYS 38 -4.956 22.123 -2.847 293 HG3 LYS 38 2HG LYS 38 -4.870 20.348 -2.930 294 HD2 LYS 38 1HD LYS 38 -6.652 20.342 -4.632 295 HD3 LYS 38 2HD LYS 38 -6.730 22.119 -4.553 296 HE2 LYS 38 1HE LYS 38 -4.386 22.254 -5.286 297 HE3 LYS 38 2HE LYS 38 -4.311 20.480 -5.372 298 HZ1 LYS 38 3HZ LYS 38 -6.082 22.201 -6.986 299 HZ2 LYS 38 1HZ LYS 38 -4.713 21.458 -7.528 300 HZ3 LYS 38 2HZ LYS 38 -6.014 20.555 -7.066 301 H ILE 39 H ILE 39 -6.188 22.212 1.734 302 HA ILE 39 HA ILE 39 -8.830 21.139 2.539 303 HB ILE 39 HB ILE 39 -6.951 23.028 4.032 304 HG12 ILE 39 1HG1 ILE 39 -7.172 20.060 4.409 305 HG13 ILE 39 2HG1 ILE 39 -5.967 20.822 3.344 306 HG21 ILE 39 1HG2 ILE 39 -8.187 22.231 6.019 307 HG22 ILE 39 2HG2 ILE 39 -9.284 23.001 4.851 308 HG23 ILE 39 3HG2 ILE 39 -9.220 21.227 4.976 309 HD11 ILE 39 3HD1 ILE 39 -6.263 21.306 6.330 310 HD12 ILE 39 1HD1 ILE 39 -5.007 20.315 5.555 311 HD13 ILE 39 2HD1 ILE 39 -5.059 22.070 5.265 312 H TYR 40 H TYR 40 -10.685 22.058 2.488 313 HA TYR 40 HA TYR 40 -10.892 25.006 2.322 314 HB2 TYR 40 1HB TYR 40 -12.112 25.040 0.298 315 HB3 TYR 40 2HB TYR 40 -10.585 24.179 -0.011 316 HD1 TYR 40 HD2 TYR 40 -10.607 21.691 -0.254 317 HD2 TYR 40 HD1 TYR 40 -14.219 23.942 0.008 318 HE1 TYR 40 HE2 TYR 40 -11.863 19.758 -1.148 319 HE2 TYR 40 HE1 TYR 40 -15.493 22.016 -0.887 320 HH TYR 40 HH TYR 40 -15.398 19.877 -1.648 321 H TRP 41 H TRP 41 -13.053 25.800 2.514 322 HA TRP 41 HA TRP 41 -14.760 23.910 4.085 323 HB2 TRP 41 1HB TRP 41 -14.716 26.957 3.957 324 HB3 TRP 41 2HB TRP 41 -15.867 25.992 4.909 325 HD1 TRP 41 HD1 TRP 41 -12.289 26.980 4.724 326 HE1 TRP 41 HE1 TRP 41 -11.130 26.605 7.136 327 HE3 TRP 41 HE3 TRP 41 -16.147 24.602 7.027 328 HZ2 TRP 41 HZ2 TRP 41 -11.899 25.458 9.528 329 HZ3 TRP 41 HZ3 TRP 41 -15.931 23.884 9.324 330 HH2 TRP 41 HH2 TRP 41 -13.874 24.279 10.609 331 H PHE 42 H PHE 42 -16.849 23.488 3.603 332 HA PHE 42 HA PHE 42 -18.240 25.314 1.741 333 HB2 PHE 42 1HB PHE 42 -19.117 23.490 0.346 334 HB3 PHE 42 2HB PHE 42 -17.341 23.512 0.258 335 HD1 PHE 42 HD2 PHE 42 -16.027 21.819 1.465 336 HD2 PHE 42 HD1 PHE 42 -20.287 21.640 1.195 337 HE1 PHE 42 HE2 PHE 42 -15.964 19.427 2.090 338 HE2 PHE 42 HE1 PHE 42 -20.228 19.250 1.821 339 HZ PHE 42 HZ PHE 42 -18.067 18.143 2.269 340 H LYS 43 H LYS 43 -20.447 25.374 1.956 341 HA LYS 43 HA LYS 43 -21.365 24.153 4.540 342 HB2 LYS 43 1HB LYS 43 -21.054 26.686 4.315 343 HB3 LYS 43 2HB LYS 43 -22.464 26.632 3.230 344 HG2 LYS 43 1HG LYS 43 -22.740 25.325 5.898 345 HG3 LYS 43 2HG LYS 43 -22.671 27.105 5.869 346 HD2 LYS 43 1HD LYS 43 -24.486 27.055 4.120 347 HD3 LYS 43 2HD LYS 43 -24.629 25.304 4.407 348 HE2 LYS 43 1HE LYS 43 -24.984 25.880 6.863 349 HE3 LYS 43 2HE LYS 43 -25.166 27.569 6.340 350 HZ1 LYS 43 3HZ LYS 43 -26.826 25.305 5.436 351 HZ2 LYS 43 1HZ LYS 43 -27.288 26.460 6.520 352 HZ3 LYS 43 2HZ LYS 43 -26.997 26.873 4.949 353 H ASP 44 H ASP 44 -22.620 22.493 4.241 354 HA ASP 44 HA ASP 44 -24.206 21.087 3.278 355 HB2 ASP 44 1HB ASP 44 -25.629 23.773 2.780 356 HB3 ASP 44 2HB ASP 44 -26.211 22.104 2.561 357 H GLY 45 H GLY 45 -22.000 21.930 1.598 358 HA2 GLY 45 1HA GLY 45 -21.591 20.910 -0.533 359 HA3 GLY 45 2HA GLY 45 -23.300 21.152 -0.962 360 H LYS 46 H LYS 46 -22.361 23.930 0.530 361 HA LYS 46 HA LYS 46 -21.910 25.264 -2.108 362 HB2 LYS 46 1HB LYS 46 -22.792 26.367 0.564 363 HB3 LYS 46 2HB LYS 46 -22.577 27.307 -0.932 364 HG2 LYS 46 1HG LYS 46 -24.383 26.074 -2.007 365 HG3 LYS 46 2HG LYS 46 -24.562 25.037 -0.571 366 HD2 LYS 46 1HD LYS 46 -25.191 26.994 0.777 367 HD3 LYS 46 2HD LYS 46 -24.990 28.045 -0.645 368 HE2 LYS 46 1HE LYS 46 -26.746 26.708 -1.814 369 HE3 LYS 46 2HE LYS 46 -27.002 25.799 -0.307 370 HZ1 LYS 46 3HZ LYS 46 -27.375 28.707 -0.639 371 HZ2 LYS 46 1HZ LYS 46 -28.585 27.589 -0.546 372 HZ3 LYS 46 2HZ LYS 46 -27.614 27.863 0.759 373 H GLN 47 H GLN 47 -19.790 25.150 -2.496 374 HA GLN 47 HA GLN 47 -17.702 25.334 -0.605 375 HB2 GLN 47 1HB GLN 47 -17.500 24.679 -3.003 376 HB3 GLN 47 2HB GLN 47 -17.696 26.394 -3.437 377 HG2 GLN 47 1HG GLN 47 -15.390 26.817 -2.075 378 HG3 GLN 47 2HG GLN 47 -15.680 25.078 -1.840 379 HE21 GLN 47 2HE2 GLN 47 -13.281 25.942 -2.851 380 HE22 GLN 47 1HE2 GLN 47 -13.156 25.519 -4.526 381 H ILE 48 H ILE 48 -16.766 26.843 0.539 382 HA ILE 48 HA ILE 48 -17.910 29.600 0.337 383 HB ILE 48 HB ILE 48 -16.227 28.263 2.510 384 HG12 ILE 48 1HG1 ILE 48 -19.131 29.034 2.558 385 HG13 ILE 48 2HG1 ILE 48 -18.522 27.396 2.225 386 HG21 ILE 48 1HG2 ILE 48 -16.768 30.272 3.842 387 HG22 ILE 48 2HG2 ILE 48 -15.857 30.703 2.375 388 HG23 ILE 48 3HG2 ILE 48 -17.615 30.973 2.442 389 HD11 ILE 48 3HD1 ILE 48 -18.084 28.970 4.788 390 HD12 ILE 48 1HD1 ILE 48 -19.225 27.622 4.575 391 HD13 ILE 48 2HD1 ILE 48 -17.473 27.332 4.454 392 H SER 49 H SER 49 -16.940 31.188 -0.543 393 HA SER 49 HA SER 49 -14.167 31.015 -1.520 394 HB2 SER 49 1HB SER 49 -15.742 32.077 -2.826 395 HB3 SER 49 2HB SER 49 -16.149 33.210 -1.520 396 HG SER 49 HG SER 49 -13.932 33.894 -1.613 397 HA PRO 50 HA PRO 50 -12.307 32.476 2.320 398 HB2 PRO 50 1HB PRO 50 -10.076 33.049 0.334 399 HB3 PRO 50 2HB PRO 50 -9.990 32.170 1.867 400 HG2 PRO 50 1HG PRO 50 -9.907 30.813 -0.430 401 HG3 PRO 50 2HG PRO 50 -10.843 30.172 0.927 402 HD2 PRO 50 1HD PRO 50 -11.846 31.614 -1.563 403 HD3 PRO 50 2HD PRO 50 -12.545 30.217 -0.734 404 H LYS 51 H LYS 51 -12.112 34.364 3.253 405 HA LYS 51 HA LYS 51 -12.285 36.670 3.515 406 HB2 LYS 51 1HB LYS 51 -10.874 36.628 0.842 407 HB3 LYS 51 2HB LYS 51 -11.048 38.043 1.907 408 HG2 LYS 51 1HG LYS 51 -9.726 36.904 3.642 409 HG3 LYS 51 2HG LYS 51 -9.556 35.484 2.582 410 HD2 LYS 51 1HD LYS 51 -8.394 36.893 0.911 411 HD3 LYS 51 2HD LYS 51 -8.532 38.286 2.008 412 HE2 LYS 51 1HE LYS 51 -7.180 37.147 3.680 413 HE3 LYS 51 2HE LYS 51 -7.106 35.690 2.663 414 HZ1 LYS 51 3HZ LYS 51 -5.976 38.325 1.967 415 HZ2 LYS 51 1HZ LYS 51 -5.111 37.013 2.468 416 HZ3 LYS 51 2HZ LYS 51 -5.907 36.974 1.023 417 H SER 52 H SER 52 -14.597 35.520 2.658 418 HA SER 52 HA SER 52 -15.752 37.174 0.465 419 HB2 SER 52 1HB SER 52 -17.625 35.971 0.652 420 HB3 SER 52 2HB SER 52 -16.276 34.824 0.814 421 HG SER 52 HG SER 52 -17.933 34.456 2.347 422 H ASP 53 H ASP 53 -18.204 37.737 1.339 423 HA ASP 53 HA ASP 53 -17.823 40.215 2.714 424 HB2 ASP 53 1HB ASP 53 -20.401 38.632 2.153 425 HB3 ASP 53 2HB ASP 53 -20.200 40.213 2.949 426 H HIS 54 H HIS 54 -18.761 37.018 3.868 427 HA HIS 54 HA HIS 54 -18.803 38.110 6.651 428 HB2 HIS 54 1HB HIS 54 -20.924 36.302 5.410 429 HB3 HIS 54 2HB HIS 54 -20.813 36.728 7.134 430 HD2 HIS 54 HD2 HIS 54 -22.536 38.074 3.929 431 HE1 HIS 54 HE1 HIS 54 -22.506 41.169 6.839 432 HE2 HIS 54 HE2 HIS 54 -23.449 40.321 4.536 433 H TYR 55 H TYR 55 -17.601 35.888 4.482 434 HA TYR 55 HA TYR 55 -16.860 34.033 6.718 435 HB2 TYR 55 1HB TYR 55 -17.445 33.331 3.837 436 HB3 TYR 55 2HB TYR 55 -16.852 32.214 5.091 437 HD1 TYR 55 HD2 TYR 55 -18.349 31.813 7.128 438 HD2 TYR 55 HD1 TYR 55 -19.762 33.688 3.568 439 HE1 TYR 55 HE2 TYR 55 -20.675 31.313 7.800 440 HE2 TYR 55 HE1 TYR 55 -22.099 33.194 4.226 441 HH TYR 55 HH TYR 55 -22.890 31.193 7.007 442 H THR 56 H THR 56 -14.861 34.569 7.202 443 HA THR 56 HA THR 56 -12.914 34.901 4.952 444 HB THR 56 HB THR 56 -12.646 35.593 7.911 445 HG1 THR 56 HG1 THR 56 -12.703 37.757 7.058 446 HG21 THR 56 1HG2 THR 56 -10.555 36.705 7.212 447 HG22 THR 56 2HG2 THR 56 -10.500 34.961 6.862 448 HG23 THR 56 3HG2 THR 56 -10.800 36.122 5.549 449 H ILE 57 H ILE 57 -11.574 33.379 4.439 450 HA ILE 57 HA ILE 57 -11.135 31.153 6.417 451 HB ILE 57 HB ILE 57 -11.043 31.114 3.366 452 HG12 ILE 57 1HG1 ILE 57 -12.940 29.740 5.250 453 HG13 ILE 57 2HG1 ILE 57 -13.286 31.242 4.363 454 HG21 ILE 57 1HG2 ILE 57 -10.666 28.686 3.637 455 HG22 ILE 57 2HG2 ILE 57 -9.356 29.625 4.391 456 HG23 ILE 57 3HG2 ILE 57 -10.619 28.889 5.404 457 HD11 ILE 57 3HD1 ILE 57 -12.654 28.545 3.114 458 HD12 ILE 57 1HD1 ILE 57 -14.264 29.289 3.222 459 HD13 ILE 57 2HD1 ILE 57 -12.999 30.048 2.227 460 H GLN 58 H GLN 58 -9.297 31.036 7.336 461 HA GLN 58 HA GLN 58 -6.911 32.094 5.875 462 HB2 GLN 58 1HB GLN 58 -7.313 33.053 8.079 463 HB3 GLN 58 2HB GLN 58 -7.345 31.422 8.788 464 HG2 GLN 58 1HG GLN 58 -4.935 32.217 9.219 465 HG3 GLN 58 2HG GLN 58 -5.206 31.104 7.859 466 HE21 GLN 58 2HE2 GLN 58 -3.410 31.680 6.681 467 HE22 GLN 58 1HE2 GLN 58 -3.208 33.240 5.954 468 H ARG 59 H ARG 59 -5.694 30.735 4.852 469 HA ARG 59 HA ARG 59 -5.868 27.847 5.628 470 HB2 ARG 59 1HB ARG 59 -5.009 29.000 3.010 471 HB3 ARG 59 2HB ARG 59 -5.230 27.287 3.436 472 HG2 ARG 59 1HG ARG 59 -7.612 27.586 3.657 473 HG3 ARG 59 2HG ARG 59 -7.454 29.346 3.442 474 HD2 ARG 59 1HD ARG 59 -8.165 28.735 1.398 475 HD3 ARG 59 2HD ARG 59 -6.404 28.645 1.165 476 HE ARG 59 HE ARG 59 -7.666 26.014 1.768 477 HH11 ARG 59 1HH1 ARG 59 -6.686 28.230 -0.739 478 HH12 ARG 59 2HH1 ARG 59 -6.591 26.904 -1.882 479 HH21 ARG 59 1HH2 ARG 59 -7.570 24.486 0.470 480 HH22 ARG 59 2HH2 ARG 59 -7.095 24.768 -1.194 481 H ASP 60 H ASP 60 -4.359 27.899 7.281 482 HA ASP 60 HA ASP 60 -1.636 28.759 6.900 483 HB2 ASP 60 1HB ASP 60 -2.782 28.214 9.182 484 HB3 ASP 60 2HB ASP 60 -2.663 26.549 8.560 485 H LEU 61 H LEU 61 -0.011 27.955 5.835 486 HA LEU 61 HA LEU 61 -0.513 25.721 4.049 487 HB2 LEU 61 1HB LEU 61 1.871 27.285 4.786 488 HB3 LEU 61 2HB LEU 61 1.963 26.140 3.428 489 HG LEU 61 HG LEU 61 0.230 28.636 3.596 490 HD11 LEU 61 1HD1 LEU 61 1.657 29.421 1.689 491 HD12 LEU 61 2HD1 LEU 61 2.637 29.093 3.136 492 HD13 LEU 61 3HD1 LEU 61 2.604 27.920 1.799 493 HD21 LEU 61 3HD2 LEU 61 -0.933 26.857 2.429 494 HD22 LEU 61 1HD2 LEU 61 -0.425 28.111 1.272 495 HD23 LEU 61 2HD2 LEU 61 0.480 26.582 1.381 496 H ASP 62 H ASP 62 0.502 25.871 7.262 497 HA ASP 62 HA ASP 62 2.170 23.499 7.292 498 HB2 ASP 62 1HB ASP 62 0.543 24.872 9.518 499 HB3 ASP 62 2HB ASP 62 1.526 23.388 9.601 500 H GLY 63 H GLY 63 -1.192 24.016 6.884 501 HA2 GLY 63 1HA GLY 63 -2.377 22.026 5.973 502 HA3 GLY 63 2HA GLY 63 -1.634 21.079 7.281 503 H THR 64 H THR 64 -2.801 24.344 7.805 504 HA THR 64 HA THR 64 -5.190 23.241 9.249 505 HB THR 64 HB THR 64 -3.418 25.538 10.185 506 HG1 THR 64 HG1 THR 64 -2.501 23.393 10.447 507 HG21 THR 64 1HG2 THR 64 -4.805 25.420 12.224 508 HG22 THR 64 2HG2 THR 64 -5.801 25.775 10.791 509 HG23 THR 64 3HG2 THR 64 -5.787 24.135 11.481 510 H CYS 65 H CYS 65 -7.064 24.241 9.016 511 HA CYS 65 HA CYS 65 -7.123 26.795 7.375 512 HB2 CYS 65 1HB CYS 65 -7.499 24.601 6.149 513 HB3 CYS 65 2HB CYS 65 -8.920 24.344 7.192 514 HG CYS 65 HG CYS 65 -9.618 24.984 4.825 515 H SER 66 H SER 66 -8.251 28.353 8.351 516 HA SER 66 HA SER 66 -10.152 27.623 10.600 517 HB2 SER 66 1HB SER 66 -8.257 28.610 11.454 518 HB3 SER 66 2HB SER 66 -8.378 29.964 10.307 519 HG SER 66 HG SER 66 -9.274 30.454 12.357 520 H LEU 67 H LEU 67 -12.193 28.308 10.431 521 HA LEU 67 HA LEU 67 -12.846 30.300 8.286 522 HB2 LEU 67 1HB LEU 67 -13.725 28.262 7.820 523 HB3 LEU 67 2HB LEU 67 -14.476 27.962 9.404 524 HG LEU 67 HG LEU 67 -15.937 29.989 8.968 525 HD11 LEU 67 1HD1 LEU 67 -16.200 30.664 6.566 526 HD12 LEU 67 2HD1 LEU 67 -14.550 30.985 7.151 527 HD13 LEU 67 3HD1 LEU 67 -14.872 29.564 6.128 528 HD21 LEU 67 3HD2 LEU 67 -16.790 27.728 8.771 529 HD22 LEU 67 1HD2 LEU 67 -17.505 28.759 7.509 530 HD23 LEU 67 2HD2 LEU 67 -16.200 27.621 7.095 531 H HIS 68 H HIS 68 -13.405 32.217 8.903 532 HA HIS 68 HA HIS 68 -14.676 32.521 11.603 533 HB2 HIS 68 1HB HIS 68 -12.646 33.843 11.477 534 HB3 HIS 68 2HB HIS 68 -13.108 34.496 9.888 535 HD2 HIS 68 HD2 HIS 68 -14.249 37.048 10.102 536 HE1 HIS 68 HE1 HIS 68 -15.503 36.614 14.139 537 HE2 HIS 68 HE2 HIS 68 -15.329 38.195 12.045 538 H THR 69 H THR 69 -16.748 32.807 11.675 539 HA THR 69 HA THR 69 -18.104 34.090 9.333 540 HB THR 69 HB THR 69 -19.278 32.601 11.723 541 HG1 THR 69 HG1 THR 69 -18.188 31.254 10.185 542 HG21 THR 69 1HG2 THR 69 -21.389 32.716 10.446 543 HG22 THR 69 2HG2 THR 69 -20.782 34.345 10.826 544 HG23 THR 69 3HG2 THR 69 -20.577 33.679 9.189 545 H THR 70 H THR 70 -18.751 36.081 9.370 546 HA THR 70 HA THR 70 -18.121 37.749 11.665 547 HB THR 70 HB THR 70 -19.688 38.375 9.126 548 HG1 THR 70 HG1 THR 70 -17.659 39.349 8.544 549 HG21 THR 70 1HG2 THR 70 -19.236 40.734 9.701 550 HG22 THR 70 2HG2 THR 70 -20.209 39.942 10.966 551 HG23 THR 70 3HG2 THR 70 -18.469 40.217 11.222 552 H ALA 71 H ALA 71 -21.148 36.540 10.251 553 HA ALA 71 HA ALA 71 -22.492 37.137 12.820 554 HB1 ALA 71 3HB ALA 71 -23.476 38.197 10.152 555 HB2 ALA 71 1HB ALA 71 -24.363 38.276 11.693 556 HB3 ALA 71 2HB ALA 71 -22.839 39.172 11.496 557 H SER 72 H SER 72 -22.616 34.934 13.144 558 HA SER 72 HA SER 72 -23.742 33.061 11.190 559 HB2 SER 72 1HB SER 72 -22.150 32.433 12.833 560 HB3 SER 72 2HB SER 72 -23.360 32.732 14.101 561 HG SER 72 HG SER 72 -23.620 30.919 11.934 562 H THR 73 H THR 73 -25.719 34.391 10.674 563 HA THR 73 HA THR 73 -27.800 34.476 12.761 564 HB THR 73 HB THR 73 -29.209 35.476 11.040 565 HG1 THR 73 HG1 THR 73 -27.084 34.698 9.304 566 HG21 THR 73 1HG2 THR 73 -27.846 37.453 10.462 567 HG22 THR 73 2HG2 THR 73 -27.561 36.950 12.146 568 HG23 THR 73 3HG2 THR 73 -26.368 36.559 10.887 569 H LEU 74 H LEU 74 -30.060 33.754 11.980 570 HA LEU 74 HA LEU 74 -29.948 30.916 12.234 571 HB2 LEU 74 1HB LEU 74 -31.659 32.354 12.983 572 HB3 LEU 74 2HB LEU 74 -32.310 32.665 11.356 573 HG LEU 74 HG LEU 74 -32.723 30.198 11.128 574 HD11 LEU 74 1HD1 LEU 74 -32.754 28.840 13.237 575 HD12 LEU 74 2HD1 LEU 74 -31.118 29.437 12.878 576 HD13 LEU 74 3HD1 LEU 74 -32.101 30.235 14.127 577 HD21 LEU 74 3HD2 LEU 74 -34.526 31.719 11.686 578 HD22 LEU 74 1HD2 LEU 74 -34.745 30.176 12.546 579 HD23 LEU 74 2HD2 LEU 74 -34.129 31.601 13.417 580 H ASP 75 H ASP 75 -30.300 32.979 9.406 581 HA ASP 75 HA ASP 75 -30.983 30.834 7.580 582 HB2 ASP 75 1HB ASP 75 -29.786 33.619 7.057 583 HB3 ASP 75 2HB ASP 75 -30.209 32.333 5.900 584 H ASP 76 H ASP 76 -28.068 31.746 9.130 585 HA ASP 76 HA ASP 76 -26.387 30.414 7.072 586 HB2 ASP 76 1HB ASP 76 -25.536 31.755 9.710 587 HB3 ASP 76 2HB ASP 76 -24.589 31.014 8.396 588 H ASP 77 H ASP 77 -28.284 29.456 9.604 589 HA ASP 77 HA ASP 77 -26.602 27.514 10.901 590 HB2 ASP 77 1HB ASP 77 -28.938 28.330 11.723 591 HB3 ASP 77 2HB ASP 77 -29.490 27.366 10.332 592 H GLY 78 H GLY 78 -25.890 25.603 10.372 593 HA2 GLY 78 1HA GLY 78 -27.099 23.596 8.933 594 HA3 GLY 78 2HA GLY 78 -26.355 24.605 7.670 595 H ASN 79 H ASN 79 -25.052 22.715 7.178 596 HA ASN 79 HA ASN 79 -23.014 22.033 9.266 597 HB2 ASN 79 1HB ASN 79 -23.722 20.236 6.830 598 HB3 ASN 79 2HB ASN 79 -22.589 20.225 8.204 599 HD21 ASN 79 2HD2 ASN 79 -25.666 19.399 7.088 600 HD22 ASN 79 1HD2 ASN 79 -26.356 18.890 8.593 601 H TYR 80 H TYR 80 -21.343 23.334 9.077 602 HA TYR 80 HA TYR 80 -20.280 24.049 6.415 603 HB2 TYR 80 1HB TYR 80 -19.362 24.609 9.242 604 HB3 TYR 80 2HB TYR 80 -18.507 25.161 7.782 605 HD1 TYR 80 HD1 TYR 80 -21.868 25.325 9.431 606 HD2 TYR 80 HD2 TYR 80 -19.057 27.238 6.858 607 HE1 TYR 80 HE1 TYR 80 -23.322 27.329 9.346 608 HE2 TYR 80 HE2 TYR 80 -20.495 29.246 6.761 609 HH TYR 80 HH TYR 80 -23.707 29.338 8.251 610 H THR 81 H THR 81 -20.067 21.704 5.891 611 HA THR 81 HA THR 81 -18.074 20.110 7.241 612 HB THR 81 HB THR 81 -19.121 19.869 4.390 613 HG1 THR 81 HG1 THR 81 -19.973 18.512 6.758 614 HG21 THR 81 1HG2 THR 81 -18.418 17.511 4.607 615 HG22 THR 81 2HG2 THR 81 -17.032 18.612 4.796 616 HG23 THR 81 3HG2 THR 81 -17.768 17.854 6.228 617 H ILE 82 H ILE 82 -15.974 19.978 7.096 618 HA ILE 82 HA ILE 82 -14.615 21.538 4.912 619 HB ILE 82 HB ILE 82 -14.044 22.389 7.159 620 HG12 ILE 82 1HG1 ILE 82 -11.813 20.729 6.013 621 HG13 ILE 82 2HG1 ILE 82 -12.364 22.299 5.383 622 HG21 ILE 82 1HG2 ILE 82 -12.926 20.915 8.797 623 HG22 ILE 82 2HG2 ILE 82 -14.573 20.346 8.444 624 HG23 ILE 82 3HG2 ILE 82 -13.174 19.524 7.716 625 HD11 ILE 82 3HD1 ILE 82 -11.204 21.800 8.148 626 HD12 ILE 82 1HD1 ILE 82 -10.352 22.559 6.783 627 HD13 ILE 82 2HD1 ILE 82 -11.755 23.370 7.518 628 H MET 83 H MET 83 -13.096 20.696 3.667 629 HA MET 83 HA MET 83 -12.703 17.738 3.895 630 HB2 MET 83 1HB MET 83 -14.588 18.146 2.411 631 HB3 MET 83 2HB MET 83 -13.599 19.278 1.455 632 HG2 MET 83 1HG MET 83 -12.122 17.462 0.782 633 HG3 MET 83 2HG MET 83 -13.031 16.317 1.798 634 HE1 MET 83 3HE MET 83 -16.032 17.090 1.332 635 HE2 MET 83 1HE MET 83 -16.458 16.052 -0.051 636 HE3 MET 83 2HE MET 83 -15.427 15.417 1.255 637 H ALA 84 H ALA 84 -10.767 16.992 3.390 638 HA ALA 84 HA ALA 84 -8.946 18.840 1.904 639 HB1 ALA 84 3HB ALA 84 -8.222 16.726 3.960 640 HB2 ALA 84 1HB ALA 84 -7.069 17.718 3.039 641 HB3 ALA 84 2HB ALA 84 -8.171 18.486 4.203 642 H ALA 85 H ALA 85 -7.649 18.024 0.293 643 HA ALA 85 HA ALA 85 -8.043 15.211 -0.511 644 HB1 ALA 85 3HB ALA 85 -8.850 17.543 -2.281 645 HB2 ALA 85 1HB ALA 85 -8.781 15.836 -2.778 646 HB3 ALA 85 2HB ALA 85 -9.949 16.357 -1.541 647 H ASN 86 H ASN 86 -6.239 14.365 -1.242 648 HA ASN 86 HA ASN 86 -4.513 15.948 -3.039 649 HB2 ASN 86 1HB ASN 86 -2.472 15.928 -1.637 650 HB3 ASN 86 2HB ASN 86 -3.982 16.282 -0.764 651 HD21 ASN 86 2HD2 ASN 86 -1.924 15.620 0.732 652 HD22 ASN 86 1HD2 ASN 86 -2.066 14.007 1.349 653 HA PRO 87 HA PRO 87 -3.580 12.305 -5.135 654 HB2 PRO 87 1HB PRO 87 -0.661 12.408 -4.254 655 HB3 PRO 87 2HB PRO 87 -1.315 12.316 -5.895 656 HG2 PRO 87 1HG PRO 87 -0.336 14.630 -5.017 657 HG3 PRO 87 2HG PRO 87 -1.826 14.630 -5.969 658 HD2 PRO 87 1HD PRO 87 -1.490 14.950 -2.961 659 HD3 PRO 87 2HD PRO 87 -2.615 15.777 -4.046 660 H GLN 88 H GLN 88 -2.613 12.463 -1.811 661 HA GLN 88 HA GLN 88 -2.031 9.554 -1.740 662 HB2 GLN 88 1HB GLN 88 -1.973 11.643 0.447 663 HB3 GLN 88 2HB GLN 88 -1.391 9.967 0.572 664 HG2 GLN 88 1HG GLN 88 0.056 12.224 -1.060 665 HG3 GLN 88 2HG GLN 88 0.322 11.281 0.425 666 HE21 GLN 88 2HE2 GLN 88 1.134 11.557 -2.776 667 HE22 GLN 88 1HE2 GLN 88 1.643 9.931 -3.089 668 H GLY 89 H GLY 89 -4.721 11.504 -1.503 669 HA2 GLY 89 1HA GLY 89 -6.674 9.742 -1.239 670 HA3 GLY 89 2HA GLY 89 -6.086 9.717 0.437 671 H ARG 90 H ARG 90 -8.292 10.443 0.930 672 HA ARG 90 HA ARG 90 -8.392 13.389 1.071 673 HB2 ARG 90 1HB ARG 90 -10.530 13.661 0.162 674 HB3 ARG 90 2HB ARG 90 -9.412 12.992 -1.049 675 HG2 ARG 90 1HG ARG 90 -10.399 10.755 -0.702 676 HG3 ARG 90 2HG ARG 90 -11.541 11.455 0.471 677 HD2 ARG 90 1HD ARG 90 -12.473 12.841 -1.294 678 HD3 ARG 90 2HD ARG 90 -11.357 12.088 -2.457 679 HE ARG 90 HE ARG 90 -13.022 10.004 -1.298 680 HH11 ARG 90 1HH1 ARG 90 -13.316 12.744 -3.435 681 HH12 ARG 90 2HH1 ARG 90 -14.637 11.954 -4.275 682 HH21 ARG 90 1HH2 ARG 90 -14.538 9.091 -2.245 683 HH22 ARG 90 2HH2 ARG 90 -15.336 9.872 -3.597 684 H VAL 91 H VAL 91 -10.129 14.179 2.433 685 HA VAL 91 HA VAL 91 -11.499 12.276 4.213 686 HB VAL 91 HB VAL 91 -9.151 12.333 5.160 687 HG11 VAL 91 1HG1 VAL 91 -8.427 14.418 6.274 688 HG12 VAL 91 2HG1 VAL 91 -8.591 14.654 4.518 689 HG13 VAL 91 3HG1 VAL 91 -9.851 15.262 5.620 690 HG21 VAL 91 3HG2 VAL 91 -11.065 11.839 6.560 691 HG22 VAL 91 1HG2 VAL 91 -9.857 12.790 7.454 692 HG23 VAL 91 2HG2 VAL 91 -11.332 13.576 6.842 693 H SER 92 H SER 92 -13.062 13.133 5.455 694 HA SER 92 HA SER 92 -13.638 16.082 5.052 695 HB2 SER 92 1HB SER 92 -15.838 15.685 4.546 696 HB3 SER 92 2HB SER 92 -14.775 14.875 3.373 697 HG SER 92 HG SER 92 -16.527 13.559 4.042 698 H CYS 93 H CYS 93 -14.821 17.037 6.695 699 HA CYS 93 HA CYS 93 -15.795 15.370 9.001 700 HB2 CYS 93 1HB CYS 93 -13.401 15.908 9.366 701 HB3 CYS 93 2HB CYS 93 -13.751 17.634 9.104 702 HG CYS 93 HG CYS 93 -14.916 15.652 11.424 703 H THR 94 H THR 94 -17.696 16.141 9.688 704 HA THR 94 HA THR 94 -18.798 18.483 8.293 705 HB THR 94 HB THR 94 -20.060 16.612 10.336 706 HG1 THR 94 HG1 THR 94 -21.049 15.747 8.415 707 HG21 THR 94 1HG2 THR 94 -22.192 17.547 9.510 708 HG22 THR 94 2HG2 THR 94 -21.170 18.818 10.224 709 HG23 THR 94 3HG2 THR 94 -21.295 18.665 8.456 710 H GLY 95 H GLY 95 -18.670 20.462 8.948 711 HA2 GLY 95 1HA GLY 95 -17.992 21.016 11.772 712 HA3 GLY 95 2HA GLY 95 -17.983 22.179 10.424 713 H ARG 96 H ARG 96 -20.340 20.034 12.082 714 HA ARG 96 HA ARG 96 -22.677 21.435 11.404 715 HB2 ARG 96 1HB ARG 96 -22.677 19.269 12.426 716 HB3 ARG 96 2HB ARG 96 -22.128 19.985 13.959 717 HG2 ARG 96 1HG ARG 96 -24.195 21.260 14.141 718 HG3 ARG 96 2HG ARG 96 -24.740 20.642 12.562 719 HD2 ARG 96 1HD ARG 96 -24.760 18.384 13.497 720 HD3 ARG 96 2HD ARG 96 -24.316 19.065 15.080 721 HE ARG 96 HE ARG 96 -26.847 20.230 14.174 722 HH11 ARG 96 1HH1 ARG 96 -25.529 17.273 15.471 723 HH12 ARG 96 2HH1 ARG 96 -27.076 16.900 16.205 724 HH21 ARG 96 1HH2 ARG 96 -28.627 19.811 15.001 725 HH22 ARG 96 2HH2 ARG 96 -28.843 18.345 15.937 726 H LEU 97 H LEU 97 -23.134 23.477 11.568 727 HA LEU 97 HA LEU 97 -22.587 24.798 14.204 728 HB2 LEU 97 1HB LEU 97 -21.213 25.681 12.631 729 HB3 LEU 97 2HB LEU 97 -22.444 25.973 11.381 730 HG LEU 97 HG LEU 97 -23.532 27.622 12.911 731 HD11 LEU 97 1HD1 LEU 97 -22.199 28.462 14.862 732 HD12 LEU 97 2HD1 LEU 97 -22.611 26.742 15.054 733 HD13 LEU 97 3HD1 LEU 97 -20.972 27.213 14.543 734 HD21 LEU 97 3HD2 LEU 97 -22.050 28.375 11.148 735 HD22 LEU 97 1HD2 LEU 97 -21.866 29.415 12.581 736 HD23 LEU 97 2HD2 LEU 97 -20.636 28.181 12.212 737 H MET 98 H MET 98 -24.423 24.672 15.268 738 HA MET 98 HA MET 98 -26.959 25.356 13.849 739 HB2 MET 98 1HB MET 98 -26.428 24.365 16.652 740 HB3 MET 98 2HB MET 98 -28.028 24.645 15.924 741 HG2 MET 98 1HG MET 98 -25.978 22.619 14.973 742 HG3 MET 98 2HG MET 98 -27.408 22.250 15.966 743 HE1 MET 98 3HE MET 98 -29.719 23.951 14.811 744 HE2 MET 98 1HE MET 98 -30.378 22.884 13.549 745 HE3 MET 98 2HE MET 98 -29.853 22.201 15.107 746 H VAL 99 H VAL 99 -28.316 26.986 14.444 747 HA VAL 99 HA VAL 99 -26.941 29.213 15.945 748 HB VAL 99 HB VAL 99 -28.897 29.356 13.614 749 HG11 VAL 99 1HG1 VAL 99 -28.488 31.791 13.734 750 HG12 VAL 99 2HG1 VAL 99 -29.207 31.186 15.245 751 HG13 VAL 99 3HG1 VAL 99 -27.467 31.548 15.170 752 HG21 VAL 99 3HG2 VAL 99 -26.687 28.668 12.896 753 HG22 VAL 99 1HG2 VAL 99 -27.031 30.335 12.377 754 HG23 VAL 99 2HG2 VAL 99 -25.957 30.040 13.765 755 H GLN 100 H GLN 100 -27.812 30.024 17.642 756 HA GLN 100 HA GLN 100 -30.581 29.228 18.357 757 HB2 GLN 100 1HB GLN 100 -28.505 30.865 19.829 758 HB3 GLN 100 2HB GLN 100 -30.091 30.375 20.470 759 HG2 GLN 100 1HG GLN 100 -27.772 28.330 19.887 760 HG3 GLN 100 2HG GLN 100 -28.403 29.182 21.316 761 HE21 GLN 100 2HE2 GLN 100 -28.540 26.369 19.513 762 HE22 GLN 100 1HE2 GLN 100 -30.053 25.747 20.083 763 H ALA 101 H ALA 101 -32.172 30.305 17.507 764 HA ALA 101 HA ALA 101 -31.910 32.874 16.316 765 HB1 ALA 101 3HB ALA 101 -34.405 31.469 17.327 766 HB2 ALA 101 1HB ALA 101 -34.370 32.859 16.220 767 HB3 ALA 101 2HB ALA 101 -33.687 31.296 15.708 768 H VAL 102 H VAL 102 -32.135 34.902 16.979 769 HA VAL 102 HA VAL 102 -32.828 35.342 19.881 770 HB VAL 102 HB VAL 102 -30.911 36.924 18.125 771 HG11 VAL 102 1HG1 VAL 102 -30.404 38.131 20.222 772 HG12 VAL 102 2HG1 VAL 102 -32.119 38.303 19.784 773 HG13 VAL 102 3HG1 VAL 102 -31.638 37.173 21.073 774 HG21 VAL 102 3HG2 VAL 102 -29.961 34.777 18.722 775 HG22 VAL 102 1HG2 VAL 102 -29.156 36.093 19.608 776 HG23 VAL 102 2HG2 VAL 102 -30.347 35.062 20.436 777 H ASN 103 H ASN 103 -34.736 36.116 20.106 778 HA ASN 103 HA ASN 103 -35.951 37.710 17.932 779 HB2 ASN 103 1HB ASN 103 -37.292 36.790 20.582 780 HB3 ASN 103 2HB ASN 103 -37.739 37.836 19.212 781 HD21 ASN 103 2HD2 ASN 103 -38.717 35.187 20.293 782 HD22 ASN 103 1HD2 ASN 103 -38.768 34.154 18.904 783 H GLN 104 H GLN 104 -34.023 38.335 20.610 784 HA GLN 104 HA GLN 104 -35.242 40.952 21.223 785 HB2 GLN 104 1HB GLN 104 -32.654 39.672 22.126 786 HB3 GLN 104 2HB GLN 104 -33.339 41.191 22.748 787 HG2 GLN 104 1HG GLN 104 -34.552 38.349 23.316 788 HG3 GLN 104 2HG GLN 104 -33.657 39.604 24.204 789 HE21 GLN 104 2HE2 GLN 104 -36.670 38.336 23.584 790 HE22 GLN 104 1HE2 GLN 104 -37.648 39.699 24.013 791 H ARG 105 H ARG 105 -33.094 39.697 18.932 792 HA ARG 105 HA ARG 105 -31.450 42.093 18.623 793 HB2 ARG 105 1HB ARG 105 -30.635 39.912 18.013 794 HB3 ARG 105 2HB ARG 105 -31.870 39.814 16.736 795 HG2 ARG 105 1HG ARG 105 -30.874 41.784 15.637 796 HG3 ARG 105 2HG ARG 105 -29.625 41.849 16.904 797 HD2 ARG 105 1HD ARG 105 -30.057 39.543 15.034 798 HD3 ARG 105 2HD ARG 105 -28.882 40.856 14.788 799 HE ARG 105 HE ARG 105 -28.440 38.570 16.602 800 HH11 ARG 105 1HH1 ARG 105 -27.589 41.898 16.005 801 HH12 ARG 105 2HH1 ARG 105 -26.116 41.695 16.934 802 HH21 ARG 105 1HH2 ARG 105 -26.754 38.318 17.662 803 HH22 ARG 105 2HH2 ARG 105 -25.639 39.654 17.878 804 H GLY 106 H GLY 106 -32.030 43.937 17.825 805 HA2 GLY 106 1HA GLY 106 -34.621 44.284 16.579 806 HA3 GLY 106 2HA GLY 106 -33.374 45.533 16.811 807 H ARG 107 H ARG 107 -31.461 43.537 15.423 808 HA ARG 107 HA ARG 107 -32.026 44.530 12.684 809 HB2 ARG 107 1HB ARG 107 -29.624 43.171 13.827 810 HB3 ARG 107 2HB ARG 107 -29.824 43.685 12.136 811 HG2 ARG 107 1HG ARG 107 -30.019 46.020 12.858 812 HG3 ARG 107 2HG ARG 107 -29.850 45.513 14.557 813 HD2 ARG 107 1HD ARG 107 -27.612 44.696 14.067 814 HD3 ARG 107 2HD ARG 107 -27.788 45.267 12.391 815 HE ARG 107 HE ARG 107 -28.086 47.584 14.059 816 HH11 ARG 107 1HH1 ARG 107 -25.603 45.211 13.457 817 HH12 ARG 107 2HH1 ARG 107 -24.369 46.409 13.792 818 HH21 ARG 107 1HH2 ARG 107 -26.684 48.964 14.455 819 HH22 ARG 107 2HH2 ARG 107 -24.984 48.549 14.364 820 H SER 108 H SER 108 -32.864 41.880 14.473 821 HA SER 108 HA SER 108 -32.432 39.687 12.595 822 HB2 SER 108 1HB SER 108 -32.696 39.278 14.866 823 HB3 SER 108 2HB SER 108 -34.330 39.981 14.846 824 HG SER 108 HG SER 108 -33.394 37.600 13.681 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 10.393 1.731 -6.551 2 H2 GLY 1 2H GLY 1 10.892 3.146 -6.582 3 H3 GLY 1 3H GLY 1 10.772 2.421 -5.275 4 HA2 GLY 1 1HA GLY 1 8.759 4.050 -6.442 5 HA3 GLY 1 2HA GLY 1 8.168 2.373 -6.405 6 H GLY 2 H GLY 2 8.156 1.258 -4.320 7 HA2 GLY 2 1HA GLY 2 7.627 1.134 -2.073 8 HA3 GLY 2 2HA GLY 2 8.555 2.631 -1.842 9 H SER 3 H SER 3 7.380 4.121 -0.849 10 HA SER 3 HA SER 3 4.528 4.608 -1.754 11 HB2 SER 3 1HB SER 3 4.385 3.248 0.140 12 HB3 SER 3 2HB SER 3 5.421 4.366 1.057 13 HG SER 3 HG SER 3 2.912 4.980 -0.116 14 H ASN 4 H ASN 4 6.602 5.912 0.832 15 HA ASN 4 HA ASN 4 7.085 8.118 1.395 16 HB2 ASN 4 1HB ASN 4 8.499 7.789 -0.987 17 HB3 ASN 4 2HB ASN 4 7.035 8.732 -1.360 18 HD21 ASN 4 2HD2 ASN 4 8.675 10.288 -2.061 19 HD22 ASN 4 1HD2 ASN 4 9.313 11.393 -0.888 20 H ALA 5 H ALA 5 4.411 7.586 1.424 21 HA ALA 5 HA ALA 5 3.348 10.272 0.966 22 HB1 ALA 5 3HB ALA 5 2.163 7.899 -0.514 23 HB2 ALA 5 1HB ALA 5 1.453 9.526 -0.422 24 HB3 ALA 5 2HB ALA 5 3.008 9.281 -1.252 25 H THR 6 H THR 6 1.304 10.637 1.942 26 HA THR 6 HA THR 6 0.406 8.503 3.827 27 HB THR 6 HB THR 6 1.048 11.365 4.653 28 HG1 THR 6 HG1 THR 6 2.295 8.880 5.327 29 HG21 THR 6 1HG2 THR 6 0.471 10.568 6.918 30 HG22 THR 6 2HG2 THR 6 -0.915 10.411 5.811 31 HG23 THR 6 3HG2 THR 6 0.042 8.976 6.249 32 H ALA 7 H ALA 7 -1.682 8.292 3.972 33 HA ALA 7 HA ALA 7 -3.422 9.776 2.272 34 HB1 ALA 7 3HB ALA 7 -4.087 8.049 4.679 35 HB2 ALA 7 1HB ALA 7 -5.238 8.588 3.437 36 HB3 ALA 7 2HB ALA 7 -3.914 7.485 2.999 37 HA PRO 8 HA PRO 8 -4.481 13.358 4.554 38 HB2 PRO 8 1HB PRO 8 -7.174 13.606 3.869 39 HB3 PRO 8 2HB PRO 8 -5.880 14.016 2.737 40 HG2 PRO 8 1HG PRO 8 -7.492 11.453 2.944 41 HG3 PRO 8 2HG PRO 8 -7.050 12.374 1.500 42 HD2 PRO 8 1HD PRO 8 -5.649 10.150 2.185 43 HD3 PRO 8 2HD PRO 8 -4.811 11.544 1.495 44 H PHE 9 H PHE 9 -5.303 14.038 6.426 45 HA PHE 9 HA PHE 9 -7.257 12.483 7.929 46 HB2 PHE 9 1HB PHE 9 -5.364 10.948 8.206 47 HB3 PHE 9 2HB PHE 9 -4.317 12.292 8.714 48 HD1 PHE 9 HD1 PHE 9 -7.407 10.445 9.644 49 HD2 PHE 9 HD2 PHE 9 -4.127 12.859 10.934 50 HE1 PHE 9 HE1 PHE 9 -8.045 10.050 11.999 51 HE2 PHE 9 HE2 PHE 9 -4.760 12.464 13.291 52 HZ PHE 9 HZ PHE 9 -6.721 11.059 13.823 53 H PHE 10 H PHE 10 -8.140 13.598 9.531 54 HA PHE 10 HA PHE 10 -7.106 16.341 10.011 55 HB2 PHE 10 1HB PHE 10 -9.661 14.916 10.865 56 HB3 PHE 10 2HB PHE 10 -9.244 16.586 11.312 57 HD1 PHE 10 HD2 PHE 10 -8.683 18.167 9.315 58 HD2 PHE 10 HD1 PHE 10 -10.924 14.542 9.009 59 HE1 PHE 10 HE2 PHE 10 -9.723 18.989 7.228 60 HE2 PHE 10 HE1 PHE 10 -11.964 15.360 6.920 61 HZ PHE 10 HZ PHE 10 -11.363 17.584 6.029 62 H GLU 11 H GLU 11 -5.317 16.184 11.235 63 HA GLU 11 HA GLU 11 -5.196 14.628 13.679 64 HB2 GLU 11 1HB GLU 11 -3.176 15.737 14.105 65 HB3 GLU 11 2HB GLU 11 -3.247 15.464 12.347 66 HG2 GLU 11 1HG GLU 11 -3.876 17.890 12.017 67 HG3 GLU 11 2HG GLU 11 -3.894 17.999 13.792 68 H MET 12 H MET 12 -6.555 17.713 12.850 69 HA MET 12 HA MET 12 -7.659 17.751 15.625 70 HB2 MET 12 1HB MET 12 -5.895 19.439 15.495 71 HB3 MET 12 2HB MET 12 -6.687 20.149 14.067 72 HG2 MET 12 1HG MET 12 -8.635 20.738 15.414 73 HG3 MET 12 2HG MET 12 -7.901 19.972 16.843 74 HE1 MET 12 3HE MET 12 -8.090 23.078 14.540 75 HE2 MET 12 1HE MET 12 -6.575 23.947 14.884 76 HE3 MET 12 2HE MET 12 -6.534 22.403 13.999 77 H LYS 13 H LYS 13 -9.741 17.477 15.549 78 HA LYS 13 HA LYS 13 -11.084 17.991 12.928 79 HB2 LYS 13 1HB LYS 13 -11.848 16.224 15.257 80 HB3 LYS 13 2HB LYS 13 -12.775 16.418 13.750 81 HG2 LYS 13 1HG LYS 13 -10.866 15.491 12.476 82 HG3 LYS 13 2HG LYS 13 -9.979 15.258 14.001 83 HD2 LYS 13 1HD LYS 13 -11.692 13.713 14.798 84 HD3 LYS 13 2HD LYS 13 -12.654 13.990 13.326 85 HE2 LYS 13 1HE LYS 13 -10.812 13.076 11.963 86 HE3 LYS 13 2HE LYS 13 -9.876 12.773 13.446 87 HZ1 LYS 13 3HZ LYS 13 -12.474 11.545 12.779 88 HZ2 LYS 13 1HZ LYS 13 -11.008 10.795 12.689 89 HZ3 LYS 13 2HZ LYS 13 -11.606 11.264 14.154 90 H LEU 14 H LEU 14 -13.399 18.530 13.007 91 HA LEU 14 HA LEU 14 -13.779 20.846 14.792 92 HB2 LEU 14 1HB LEU 14 -15.430 19.564 12.713 93 HB3 LEU 14 2HB LEU 14 -15.916 21.123 13.419 94 HG LEU 14 HG LEU 14 -13.440 20.582 11.733 95 HD11 LEU 14 1HD1 LEU 14 -14.549 22.126 10.096 96 HD12 LEU 14 2HD1 LEU 14 -15.556 20.695 10.420 97 HD13 LEU 14 3HD1 LEU 14 -15.948 22.253 11.188 98 HD21 LEU 14 3HD2 LEU 14 -12.972 22.214 13.463 99 HD22 LEU 14 1HD2 LEU 14 -13.043 23.016 11.875 100 HD23 LEU 14 2HD2 LEU 14 -14.412 23.155 13.006 101 H LYS 15 H LYS 15 -15.964 21.191 15.764 102 HA LYS 15 HA LYS 15 -17.170 18.644 16.764 103 HB2 LYS 15 1HB LYS 15 -17.317 19.523 18.991 104 HB3 LYS 15 2HB LYS 15 -15.618 19.453 18.465 105 HG2 LYS 15 1HG LYS 15 -15.680 21.883 17.999 106 HG3 LYS 15 2HG LYS 15 -17.360 21.938 18.585 107 HD2 LYS 15 1HD LYS 15 -16.591 21.113 20.793 108 HD3 LYS 15 2HD LYS 15 -14.914 21.139 20.198 109 HE2 LYS 15 1HE LYS 15 -15.080 23.555 19.811 110 HE3 LYS 15 2HE LYS 15 -16.764 23.537 20.384 111 HZ1 LYS 15 3HZ LYS 15 -14.395 22.836 21.997 112 HZ2 LYS 15 1HZ LYS 15 -15.245 24.246 22.104 113 HZ3 LYS 15 2HZ LYS 15 -15.956 22.820 22.530 114 H HIS 16 H HIS 16 -19.190 19.290 18.154 115 HA HIS 16 HA HIS 16 -20.986 20.712 16.349 116 HB2 HIS 16 1HB HIS 16 -21.703 18.743 17.749 117 HB3 HIS 16 2HB HIS 16 -21.499 19.753 19.201 118 HD1 HIS 16 HD1 HIS 16 -24.145 18.897 19.262 119 HD2 HIS 16 HD2 HIS 16 -23.176 22.055 16.645 120 HE1 HIS 16 HE1 HIS 16 -26.263 19.977 18.697 121 H TYR 17 H TYR 17 -20.937 22.803 16.112 122 HA TYR 17 HA TYR 17 -20.222 24.501 18.459 123 HB2 TYR 17 1HB TYR 17 -20.491 25.176 15.521 124 HB3 TYR 17 2HB TYR 17 -19.937 26.270 16.811 125 HD1 TYR 17 HD2 TYR 17 -17.834 25.484 18.146 126 HD2 TYR 17 HD1 TYR 17 -18.907 23.947 14.317 127 HE1 TYR 17 HE2 TYR 17 -15.508 24.717 17.815 128 HE2 TYR 17 HE1 TYR 17 -16.581 23.170 13.968 129 HH TYR 17 HH TYR 17 -14.040 23.672 16.421 130 H LYS 18 H LYS 18 -21.457 26.111 19.244 131 HA LYS 18 HA LYS 18 -24.159 26.494 18.019 132 HB2 LYS 18 1HB LYS 18 -23.531 26.022 20.936 133 HB3 LYS 18 2HB LYS 18 -25.084 26.632 20.317 134 HG2 LYS 18 1HG LYS 18 -25.348 24.531 19.011 135 HG3 LYS 18 2HG LYS 18 -23.843 23.921 19.739 136 HD2 LYS 18 1HD LYS 18 -24.859 24.136 21.984 137 HD3 LYS 18 2HD LYS 18 -26.370 24.699 21.233 138 HE2 LYS 18 1HE LYS 18 -26.567 22.568 20.026 139 HE3 LYS 18 2HE LYS 18 -25.054 22.004 20.773 140 HZ1 LYS 18 3HZ LYS 18 -27.532 22.690 22.222 141 HZ2 LYS 18 1HZ LYS 18 -26.986 21.162 21.926 142 HZ3 LYS 18 2HZ LYS 18 -26.129 22.167 22.916 143 H ILE 19 H ILE 19 -24.947 28.494 18.011 144 HA ILE 19 HA ILE 19 -23.611 30.640 19.556 145 HB ILE 19 HB ILE 19 -22.292 30.320 17.355 146 HG12 ILE 19 1HG1 ILE 19 -22.350 32.762 16.841 147 HG13 ILE 19 2HG1 ILE 19 -23.663 32.903 18.034 148 HG21 ILE 19 1HG2 ILE 19 -23.366 31.258 15.336 149 HG22 ILE 19 2HG2 ILE 19 -24.241 29.823 15.917 150 HG23 ILE 19 3HG2 ILE 19 -24.890 31.448 16.235 151 HD11 ILE 19 3HD1 ILE 19 -20.852 31.893 18.593 152 HD12 ILE 19 1HD1 ILE 19 -21.488 33.494 19.030 153 HD13 ILE 19 2HD1 ILE 19 -22.165 32.033 19.786 154 H PHE 20 H PHE 20 -24.717 32.515 19.753 155 HA PHE 20 HA PHE 20 -27.596 32.363 19.196 156 HB2 PHE 20 1HB PHE 20 -25.790 34.457 20.453 157 HB3 PHE 20 2HB PHE 20 -27.517 34.742 20.145 158 HD1 PHE 20 HD2 PHE 20 -29.212 33.338 21.275 159 HD2 PHE 20 HD1 PHE 20 -25.063 33.193 22.281 160 HE1 PHE 20 HE2 PHE 20 -29.775 32.278 23.436 161 HE2 PHE 20 HE1 PHE 20 -25.622 32.131 24.442 162 HZ PHE 20 HZ PHE 20 -27.979 31.673 25.020 163 H GLU 21 H GLU 21 -28.811 33.608 17.854 164 HA GLU 21 HA GLU 21 -27.775 34.048 15.256 165 HB2 GLU 21 1HB GLU 21 -30.157 33.779 15.827 166 HB3 GLU 21 2HB GLU 21 -30.136 35.390 16.583 167 HG2 GLU 21 1HG GLU 21 -29.568 36.380 14.288 168 HG3 GLU 21 2HG GLU 21 -29.656 34.698 13.715 169 H GLY 22 H GLY 22 -26.439 35.449 14.448 170 HA2 GLY 22 1HA GLY 22 -26.113 37.737 13.756 171 HA3 GLY 22 2HA GLY 22 -26.715 38.280 15.339 172 H MET 23 H MET 23 -24.957 35.882 16.378 173 HA MET 23 HA MET 23 -22.688 37.663 17.018 174 HB2 MET 23 1HB MET 23 -23.393 34.880 17.942 175 HB3 MET 23 2HB MET 23 -22.062 35.885 18.569 176 HG2 MET 23 1HG MET 23 -25.015 36.564 18.737 177 HG3 MET 23 2HG MET 23 -24.044 35.873 20.058 178 HE1 MET 23 3HE MET 23 -21.335 37.292 20.065 179 HE2 MET 23 1HE MET 23 -21.650 38.736 21.058 180 HE3 MET 23 2HE MET 23 -22.366 37.169 21.511 181 HA PRO 24 HA PRO 24 -19.831 35.802 14.274 182 HB2 PRO 24 1HB PRO 24 -17.467 36.403 15.540 183 HB3 PRO 24 2HB PRO 24 -18.450 37.696 14.837 184 HG2 PRO 24 1HG PRO 24 -18.285 36.784 17.727 185 HG3 PRO 24 2HG PRO 24 -18.269 38.428 17.078 186 HD2 PRO 24 1HD PRO 24 -20.561 37.294 18.099 187 HD3 PRO 24 2HD PRO 24 -20.617 38.478 16.784 188 H VAL 25 H VAL 25 -18.521 34.072 13.938 189 HA VAL 25 HA VAL 25 -18.134 32.191 16.242 190 HB VAL 25 HB VAL 25 -19.260 31.389 13.528 191 HG11 VAL 25 1HG1 VAL 25 -19.543 29.186 14.615 192 HG12 VAL 25 2HG1 VAL 25 -17.835 29.687 14.616 193 HG13 VAL 25 3HG1 VAL 25 -18.805 29.825 16.102 194 HG21 VAL 25 3HG2 VAL 25 -20.944 32.608 14.775 195 HG22 VAL 25 1HG2 VAL 25 -21.339 30.875 14.705 196 HG23 VAL 25 2HG2 VAL 25 -20.665 31.574 16.197 197 H THR 26 H THR 26 -16.222 31.439 16.419 198 HA THR 26 HA THR 26 -14.510 31.368 13.954 199 HB THR 26 HB THR 26 -13.636 31.963 16.814 200 HG1 THR 26 HG1 THR 26 -13.139 34.034 15.873 201 HG21 THR 26 1HG2 THR 26 -11.424 32.366 15.790 202 HG22 THR 26 2HG2 THR 26 -11.960 30.690 15.519 203 HG23 THR 26 3HG2 THR 26 -12.069 31.884 14.204 204 H PHE 27 H PHE 27 -13.834 29.481 13.358 205 HA PHE 27 HA PHE 27 -12.919 27.547 15.388 206 HB2 PHE 27 1HB PHE 27 -14.277 25.686 14.391 207 HB3 PHE 27 2HB PHE 27 -15.279 26.900 15.218 208 HD1 PHE 27 HD2 PHE 27 -16.553 28.552 13.887 209 HD2 PHE 27 HD1 PHE 27 -14.539 25.227 12.114 210 HE1 PHE 27 HE2 PHE 27 -17.934 28.802 11.851 211 HE2 PHE 27 HE1 PHE 27 -15.915 25.477 10.075 212 HZ PHE 27 HZ PHE 27 -17.614 27.265 9.945 213 H THR 28 H THR 28 -11.815 25.694 14.440 214 HA THR 28 HA THR 28 -10.687 26.188 11.750 215 HB THR 28 HB THR 28 -9.403 27.753 13.218 216 HG1 THR 28 HG1 THR 28 -7.344 26.872 12.602 217 HG21 THR 28 1HG2 THR 28 -7.902 26.807 14.937 218 HG22 THR 28 2HG2 THR 28 -9.610 26.493 15.334 219 HG23 THR 28 3HG2 THR 28 -8.600 25.193 14.657 220 H CYS 29 H CYS 29 -9.137 24.590 11.089 221 HA CYS 29 HA CYS 29 -9.239 21.996 12.628 222 HB2 CYS 29 1HB CYS 29 -11.247 22.347 11.105 223 HB3 CYS 29 2HB CYS 29 -10.106 22.395 9.737 224 HG CYS 29 HG CYS 29 -9.145 20.062 10.091 225 H ARG 30 H ARG 30 -7.603 20.565 12.053 226 HA ARG 30 HA ARG 30 -5.468 21.684 10.271 227 HB2 ARG 30 1HB ARG 30 -4.923 22.275 12.518 228 HB3 ARG 30 2HB ARG 30 -5.056 20.571 13.012 229 HG2 ARG 30 1HG ARG 30 -3.181 19.985 11.555 230 HG3 ARG 30 2HG ARG 30 -3.063 21.676 11.008 231 HD2 ARG 30 1HD ARG 30 -2.473 22.364 13.242 232 HD3 ARG 30 2HD ARG 30 -2.614 20.682 13.804 233 HE ARG 30 HE ARG 30 -0.560 20.701 11.790 234 HH11 ARG 30 1HH1 ARG 30 -1.077 22.174 14.908 235 HH12 ARG 30 2HH1 ARG 30 0.651 22.169 15.203 236 HH21 ARG 30 1HH2 ARG 30 1.421 20.696 12.109 237 HH22 ARG 30 2HH2 ARG 30 2.077 21.328 13.607 238 H VAL 31 H VAL 31 -4.337 20.306 9.068 239 HA VAL 31 HA VAL 31 -5.232 17.427 9.167 240 HB VAL 31 HB VAL 31 -4.818 17.398 6.722 241 HG11 VAL 31 1HG1 VAL 31 -6.799 18.714 6.046 242 HG12 VAL 31 2HG1 VAL 31 -7.103 17.829 7.560 243 HG13 VAL 31 3HG1 VAL 31 -6.758 19.575 7.603 244 HG21 VAL 31 3HG2 VAL 31 -3.168 19.167 6.595 245 HG22 VAL 31 1HG2 VAL 31 -4.524 19.487 5.488 246 HG23 VAL 31 2HG2 VAL 31 -4.401 20.375 7.026 247 H ALA 32 H ALA 32 -3.799 15.845 8.390 248 HA ALA 32 HA ALA 32 -0.941 16.618 8.342 249 HB1 ALA 32 3HB ALA 32 -2.074 14.579 10.291 250 HB2 ALA 32 1HB ALA 32 -0.349 14.903 10.010 251 HB3 ALA 32 2HB ALA 32 -1.385 16.165 10.714 252 H GLY 33 H GLY 33 -1.369 16.090 6.097 253 HA2 GLY 33 1HA GLY 33 -1.114 13.131 5.690 254 HA3 GLY 33 2HA GLY 33 -2.014 14.181 4.571 255 H ASN 34 H ASN 34 -0.376 12.993 3.120 256 HA ASN 34 HA ASN 34 1.712 14.952 2.482 257 HB2 ASN 34 3HB ASN 34 2.767 13.359 4.244 258 HB3 ASN 34 2HB ASN 34 2.518 12.022 3.147 259 HD21 ASN 34 2HD2 ASN 34 4.992 12.723 4.195 260 HD22 ASN 34 1HD2 ASN 34 6.003 13.217 2.735 261 HA PRO 35 HA PRO 35 2.154 15.957 1.093 262 HB2 PRO 35 1HB PRO 35 0.238 16.919 -1.026 263 HB3 PRO 35 2HB PRO 35 1.969 17.250 -0.877 264 HG2 PRO 35 1HG PRO 35 1.073 15.595 -2.791 265 HG3 PRO 35 2HG PRO 35 2.588 15.241 -1.948 266 HD2 PRO 35 1HD PRO 35 -0.175 14.023 -1.484 267 HD3 PRO 35 2HD PRO 35 1.392 13.209 -1.561 268 H LYS 36 H LYS 36 1.271 17.757 2.097 269 HA LYS 36 HA LYS 36 -0.894 17.125 3.839 270 HB2 LYS 36 1HB LYS 36 0.331 19.768 3.061 271 HB3 LYS 36 2HB LYS 36 -0.875 19.561 4.354 272 HG2 LYS 36 1HG LYS 36 0.683 18.053 5.545 273 HG3 LYS 36 2HG LYS 36 1.893 18.313 4.266 274 HD2 LYS 36 1HD LYS 36 1.901 20.730 4.779 275 HD3 LYS 36 2HD LYS 36 0.718 20.448 6.079 276 HE2 LYS 36 1HE LYS 36 2.312 19.001 7.241 277 HE3 LYS 36 2HE LYS 36 3.491 19.227 5.929 278 HZ1 LYS 36 3HZ LYS 36 2.456 21.356 7.688 279 HZ2 LYS 36 1HZ LYS 36 3.951 20.666 7.795 280 HZ3 LYS 36 2HZ LYS 36 3.550 21.566 6.471 281 HA PRO 37 HA PRO 37 -4.388 17.545 1.280 282 HB2 PRO 37 1HB PRO 37 -5.710 18.270 3.934 283 HB3 PRO 37 2HB PRO 37 -6.215 17.062 2.744 284 HG2 PRO 37 1HG PRO 37 -5.036 16.265 4.998 285 HG3 PRO 37 2HG PRO 37 -4.615 15.474 3.469 286 HD2 PRO 37 1HD PRO 37 -3.010 17.481 5.074 287 HD3 PRO 37 2HD PRO 37 -2.438 16.152 4.062 288 H LYS 38 H LYS 38 -5.301 19.054 0.141 289 HA LYS 38 HA LYS 38 -4.874 21.876 0.916 290 HB2 LYS 38 1HB LYS 38 -6.185 20.582 -1.481 291 HB3 LYS 38 2HB LYS 38 -5.985 22.336 -1.248 292 HG2 LYS 38 1HG LYS 38 -3.541 22.062 -1.247 293 HG3 LYS 38 2HG LYS 38 -3.735 20.306 -1.465 294 HD2 LYS 38 1HD LYS 38 -4.865 20.692 -3.616 295 HD3 LYS 38 2HD LYS 38 -4.688 22.450 -3.396 296 HE2 LYS 38 1HE LYS 38 -2.228 22.170 -3.348 297 HE3 LYS 38 2HE LYS 38 -2.437 20.428 -3.642 298 HZ1 LYS 38 3HZ LYS 38 -3.289 22.589 -5.463 299 HZ2 LYS 38 1HZ LYS 38 -1.969 21.623 -5.672 300 HZ3 LYS 38 2HZ LYS 38 -3.484 20.973 -5.735 301 H ILE 39 H ILE 39 -6.115 22.177 2.728 302 HA ILE 39 HA ILE 39 -8.749 21.169 3.109 303 HB ILE 39 HB ILE 39 -7.353 23.635 4.236 304 HG12 ILE 39 1HG1 ILE 39 -8.017 20.993 5.506 305 HG13 ILE 39 2HG1 ILE 39 -6.447 21.410 4.781 306 HG21 ILE 39 1HG2 ILE 39 -9.168 23.704 5.911 307 HG22 ILE 39 2HG2 ILE 39 -9.802 23.969 4.271 308 HG23 ILE 39 3HG2 ILE 39 -10.007 22.387 5.057 309 HD11 ILE 39 3HD1 ILE 39 -7.752 22.825 7.133 310 HD12 ILE 39 1HD1 ILE 39 -6.394 21.679 7.229 311 HD13 ILE 39 2HD1 ILE 39 -6.182 23.243 6.406 312 H TYR 40 H TYR 40 -10.549 21.457 2.146 313 HA TYR 40 HA TYR 40 -11.150 24.222 1.134 314 HB2 TYR 40 1HB TYR 40 -12.214 21.541 0.216 315 HB3 TYR 40 2HB TYR 40 -12.796 23.130 -0.343 316 HD1 TYR 40 HD2 TYR 40 -10.999 24.692 -1.408 317 HD2 TYR 40 HD1 TYR 40 -10.490 20.482 -0.961 318 HE1 TYR 40 HE2 TYR 40 -9.257 24.728 -3.161 319 HE2 TYR 40 HE1 TYR 40 -8.742 20.499 -2.716 320 HH TYR 40 HH TYR 40 -7.770 23.503 -4.376 321 H TRP 41 H TRP 41 -13.027 25.190 1.649 322 HA TRP 41 HA TRP 41 -14.714 23.772 3.689 323 HB2 TRP 41 1HB TRP 41 -14.057 26.731 3.370 324 HB3 TRP 41 2HB TRP 41 -15.318 26.101 4.459 325 HD1 TRP 41 HD1 TRP 41 -11.671 26.425 4.028 326 HE1 TRP 41 HE1 TRP 41 -10.422 25.824 6.347 327 HE3 TRP 41 HE3 TRP 41 -15.683 24.622 6.574 328 HZ2 TRP 41 HZ2 TRP 41 -11.193 24.757 8.779 329 HZ3 TRP 41 HZ3 TRP 41 -15.425 23.830 8.843 330 HH2 TRP 41 HH2 TRP 41 -13.247 23.874 9.982 331 H PHE 42 H PHE 42 -16.820 23.556 3.396 332 HA PHE 42 HA PHE 42 -18.248 25.489 1.689 333 HB2 PHE 42 1HB PHE 42 -19.383 23.681 0.382 334 HB3 PHE 42 2HB PHE 42 -17.644 23.790 0.025 335 HD1 PHE 42 HD2 PHE 42 -16.095 22.097 0.876 336 HD2 PHE 42 HD1 PHE 42 -20.326 21.755 1.362 337 HE1 PHE 42 HE2 PHE 42 -15.842 19.686 1.363 338 HE2 PHE 42 HE1 PHE 42 -20.077 19.344 1.851 339 HZ PHE 42 HZ PHE 42 -17.834 18.310 1.852 340 H LYS 43 H LYS 43 -20.418 25.659 2.093 341 HA LYS 43 HA LYS 43 -21.210 24.361 4.679 342 HB2 LYS 43 1HB LYS 43 -20.811 26.848 4.633 343 HB3 LYS 43 2HB LYS 43 -22.196 26.969 3.521 344 HG2 LYS 43 1HG LYS 43 -22.621 25.521 6.098 345 HG3 LYS 43 2HG LYS 43 -22.433 27.288 6.177 346 HD2 LYS 43 1HD LYS 43 -24.202 27.444 4.365 347 HD3 LYS 43 2HD LYS 43 -24.490 25.705 4.612 348 HE2 LYS 43 1HE LYS 43 -24.805 26.291 7.091 349 HE3 LYS 43 2HE LYS 43 -24.914 27.983 6.552 350 HZ1 LYS 43 3HZ LYS 43 -26.661 25.781 5.654 351 HZ2 LYS 43 1HZ LYS 43 -27.080 26.963 6.725 352 HZ3 LYS 43 2HZ LYS 43 -26.762 27.351 5.152 353 H ASP 44 H ASP 44 -22.571 22.782 4.424 354 HA ASP 44 HA ASP 44 -24.257 21.468 3.505 355 HB2 ASP 44 1HB ASP 44 -25.566 24.229 3.121 356 HB3 ASP 44 2HB ASP 44 -26.234 22.600 2.846 357 H GLY 45 H GLY 45 -22.072 22.253 1.768 358 HA2 GLY 45 1HA GLY 45 -21.737 21.307 -0.398 359 HA3 GLY 45 2HA GLY 45 -23.464 21.546 -0.756 360 H LYS 46 H LYS 46 -22.487 24.307 0.740 361 HA LYS 46 HA LYS 46 -22.206 25.707 -1.875 362 HB2 LYS 46 1HB LYS 46 -22.701 26.748 0.919 363 HB3 LYS 46 2HB LYS 46 -22.632 27.729 -0.564 364 HG2 LYS 46 1HG LYS 46 -24.611 26.607 -1.440 365 HG3 LYS 46 2HG LYS 46 -24.659 25.536 -0.019 366 HD2 LYS 46 1HD LYS 46 -25.038 27.464 1.444 367 HD3 LYS 46 2HD LYS 46 -24.942 28.559 0.045 368 HE2 LYS 46 1HE LYS 46 -26.888 27.362 -0.958 369 HE3 LYS 46 2HE LYS 46 -27.019 26.404 0.535 370 HZ1 LYS 46 3HZ LYS 46 -27.274 29.338 0.354 371 HZ2 LYS 46 1HZ LYS 46 -28.522 28.277 0.545 372 HZ3 LYS 46 2HZ LYS 46 -27.396 28.449 1.738 373 H GLN 47 H GLN 47 -20.180 25.608 -2.556 374 HA GLN 47 HA GLN 47 -17.847 25.526 -0.980 375 HB2 GLN 47 1HB GLN 47 -17.993 25.140 -3.430 376 HB3 GLN 47 2HB GLN 47 -18.205 26.892 -3.657 377 HG2 GLN 47 1HG GLN 47 -15.715 27.137 -2.593 378 HG3 GLN 47 2HG GLN 47 -16.012 25.385 -2.531 379 HE21 GLN 47 2HE2 GLN 47 -13.765 26.320 -3.770 380 HE22 GLN 47 1HE2 GLN 47 -13.897 26.119 -5.485 381 H ILE 48 H ILE 48 -16.725 26.852 0.208 382 HA ILE 48 HA ILE 48 -17.657 29.699 0.360 383 HB ILE 48 HB ILE 48 -16.003 28.007 2.292 384 HG12 ILE 48 1HG1 ILE 48 -18.780 29.111 2.613 385 HG13 ILE 48 2HG1 ILE 48 -18.404 27.450 2.096 386 HG21 ILE 48 1HG2 ILE 48 -16.211 29.941 3.816 387 HG22 ILE 48 2HG2 ILE 48 -15.344 30.389 2.329 388 HG23 ILE 48 3HG2 ILE 48 -17.047 30.857 2.540 389 HD11 ILE 48 3HD1 ILE 48 -17.612 28.709 4.746 390 HD12 ILE 48 1HD1 ILE 48 -18.925 27.536 4.503 391 HD13 ILE 48 2HD1 ILE 48 -17.235 27.049 4.228 392 H SER 49 H SER 49 -16.608 31.239 -0.516 393 HA SER 49 HA SER 49 -13.771 30.910 -1.381 394 HB2 SER 49 1HB SER 49 -15.209 31.846 -2.912 395 HB3 SER 49 2HB SER 49 -15.730 33.088 -1.751 396 HG SER 49 HG SER 49 -13.549 33.810 -1.712 397 HA PRO 50 HA PRO 50 -12.110 32.718 2.355 398 HB2 PRO 50 1HB PRO 50 -9.971 33.615 0.387 399 HB3 PRO 50 2HB PRO 50 -9.769 32.750 1.918 400 HG2 PRO 50 1HG PRO 50 -9.490 31.424 -0.378 401 HG3 PRO 50 2HG PRO 50 -10.340 30.655 0.968 402 HD2 PRO 50 1HD PRO 50 -11.510 31.950 -1.528 403 HD3 PRO 50 2HD PRO 50 -12.024 30.476 -0.699 404 H LYS 51 H LYS 51 -12.371 34.550 3.317 405 HA LYS 51 HA LYS 51 -12.923 36.790 3.623 406 HB2 LYS 51 1HB LYS 51 -11.392 37.091 1.034 407 HB3 LYS 51 2HB LYS 51 -11.865 38.412 2.130 408 HG2 LYS 51 1HG LYS 51 -10.457 37.433 3.905 409 HG3 LYS 51 2HG LYS 51 -9.970 36.131 2.792 410 HD2 LYS 51 1HD LYS 51 -8.975 37.790 1.276 411 HD3 LYS 51 2HD LYS 51 -9.475 39.099 2.372 412 HE2 LYS 51 1HE LYS 51 -8.057 38.199 4.140 413 HE3 LYS 51 2HE LYS 51 -7.601 36.828 3.103 414 HZ1 LYS 51 3HZ LYS 51 -6.997 39.664 2.559 415 HZ2 LYS 51 1HZ LYS 51 -5.918 38.542 3.104 416 HZ3 LYS 51 2HZ LYS 51 -6.574 38.393 1.596 417 H SER 52 H SER 52 -15.047 35.531 2.888 418 HA SER 52 HA SER 52 -16.287 36.820 0.482 419 HB2 SER 52 1HB SER 52 -16.494 34.451 0.902 420 HB3 SER 52 2HB SER 52 -17.476 34.851 2.330 421 HG SER 52 HG SER 52 -18.775 34.534 0.501 422 H ASP 53 H ASP 53 -18.887 36.883 1.379 423 HA ASP 53 HA ASP 53 -19.097 39.502 2.448 424 HB2 ASP 53 1HB ASP 53 -21.180 37.233 2.398 425 HB3 ASP 53 2HB ASP 53 -21.356 38.914 2.961 426 H HIS 54 H HIS 54 -19.394 36.362 4.097 427 HA HIS 54 HA HIS 54 -18.766 37.778 6.646 428 HB2 HIS 54 1HB HIS 54 -21.044 35.783 6.257 429 HB3 HIS 54 2HB HIS 54 -20.468 36.386 7.830 430 HD2 HIS 54 HD2 HIS 54 -23.051 37.391 5.085 431 HE1 HIS 54 HE1 HIS 54 -22.472 40.689 7.698 432 HE2 HIS 54 HE2 HIS 54 -23.911 39.639 5.766 433 H TYR 55 H TYR 55 -17.978 35.442 4.466 434 HA TYR 55 HA TYR 55 -17.029 33.522 6.558 435 HB2 TYR 55 1HB TYR 55 -17.513 33.184 3.595 436 HB3 TYR 55 2HB TYR 55 -16.807 31.945 4.664 437 HD1 TYR 55 HD1 TYR 55 -18.827 33.051 6.961 438 HD2 TYR 55 HD2 TYR 55 -19.266 31.436 3.041 439 HE1 TYR 55 HE1 TYR 55 -21.101 32.259 7.550 440 HE2 TYR 55 HE2 TYR 55 -21.533 30.637 3.607 441 HH TYR 55 HH TYR 55 -23.303 31.674 6.203 442 H THR 56 H THR 56 -15.144 34.391 7.208 443 HA THR 56 HA THR 56 -13.108 34.996 5.113 444 HB THR 56 HB THR 56 -13.091 35.522 8.118 445 HG1 THR 56 HG1 THR 56 -13.317 37.719 7.387 446 HG21 THR 56 1HG2 THR 56 -11.086 36.878 7.632 447 HG22 THR 56 2HG2 THR 56 -10.828 35.173 7.191 448 HG23 THR 56 3HG2 THR 56 -11.161 36.379 5.926 449 H ILE 57 H ILE 57 -11.580 33.657 4.598 450 HA ILE 57 HA ILE 57 -10.985 31.390 6.483 451 HB ILE 57 HB ILE 57 -10.710 31.565 3.446 452 HG12 ILE 57 1HG1 ILE 57 -12.478 29.819 5.138 453 HG13 ILE 57 2HG1 ILE 57 -12.993 31.298 4.293 454 HG21 ILE 57 1HG2 ILE 57 -9.988 29.206 3.590 455 HG22 ILE 57 2HG2 ILE 57 -8.872 30.272 4.475 456 HG23 ILE 57 3HG2 ILE 57 -10.060 29.292 5.366 457 HD11 ILE 57 3HD1 ILE 57 -11.897 28.788 2.977 458 HD12 ILE 57 1HD1 ILE 57 -13.604 29.284 3.013 459 HD13 ILE 57 2HD1 ILE 57 -12.411 30.267 2.133 460 H GLN 58 H GLN 58 -9.190 31.375 7.492 461 HA GLN 58 HA GLN 58 -6.848 32.739 6.207 462 HB2 GLN 58 1HB GLN 58 -7.378 32.040 9.099 463 HB3 GLN 58 2HB GLN 58 -5.873 32.750 8.468 464 HG2 GLN 58 1HG GLN 58 -7.378 34.906 7.808 465 HG3 GLN 58 2HG GLN 58 -8.577 33.772 8.471 466 HE21 GLN 58 2HE2 GLN 58 -8.501 36.242 9.535 467 HE22 GLN 58 1HE2 GLN 58 -7.784 36.220 11.112 468 H ARG 59 H ARG 59 -4.997 31.701 5.836 469 HA ARG 59 HA ARG 59 -5.125 28.726 6.230 470 HB2 ARG 59 1HB ARG 59 -4.301 30.295 3.838 471 HB3 ARG 59 2HB ARG 59 -3.803 28.612 4.123 472 HG2 ARG 59 1HG ARG 59 -6.143 27.906 4.163 473 HG3 ARG 59 2HG ARG 59 -6.667 29.591 3.928 474 HD2 ARG 59 1HD ARG 59 -5.540 29.599 1.760 475 HD3 ARG 59 2HD ARG 59 -5.131 27.883 1.997 476 HE ARG 59 HE ARG 59 -7.811 28.854 1.168 477 HH11 ARG 59 1HH1 ARG 59 -6.024 26.200 2.556 478 HH12 ARG 59 2HH1 ARG 59 -7.319 25.098 2.131 479 HH21 ARG 59 1HH2 ARG 59 -9.298 27.602 0.667 480 HH22 ARG 59 2HH2 ARG 59 -9.187 25.896 1.053 481 H ASP 60 H ASP 60 -3.805 28.361 7.881 482 HA ASP 60 HA ASP 60 -1.084 29.509 7.892 483 HB2 ASP 60 1HB ASP 60 -2.383 28.955 10.068 484 HB3 ASP 60 2HB ASP 60 -2.276 27.292 9.437 485 H LEU 61 H LEU 61 0.618 28.743 6.925 486 HA LEU 61 HA LEU 61 0.258 26.595 5.028 487 HB2 LEU 61 1HB LEU 61 2.591 28.072 6.055 488 HB3 LEU 61 2HB LEU 61 2.793 26.984 4.662 489 HG LEU 61 HG LEU 61 1.087 29.502 4.776 490 HD11 LEU 61 1HD1 LEU 61 2.702 30.346 3.053 491 HD12 LEU 61 2HD1 LEU 61 3.532 29.938 4.573 492 HD13 LEU 61 3HD1 LEU 61 3.614 28.825 3.186 493 HD21 LEU 61 3HD2 LEU 61 0.019 27.796 3.423 494 HD22 LEU 61 1HD2 LEU 61 0.653 29.091 2.379 495 HD23 LEU 61 2HD2 LEU 61 1.523 27.542 2.505 496 H ASP 62 H ASP 62 1.033 26.582 8.322 497 HA ASP 62 HA ASP 62 2.741 24.263 8.412 498 HB2 ASP 62 1HB ASP 62 0.818 25.444 10.505 499 HB3 ASP 62 2HB ASP 62 1.841 23.992 10.625 500 H GLY 63 H GLY 63 -0.617 24.664 7.751 501 HA2 GLY 63 1HA GLY 63 -1.578 22.629 6.620 502 HA3 GLY 63 2HA GLY 63 -0.978 21.701 8.015 503 H THR 64 H THR 64 -2.155 24.878 8.655 504 HA THR 64 HA THR 64 -4.735 23.724 9.670 505 HB THR 64 HB THR 64 -3.110 25.992 10.900 506 HG1 THR 64 HG1 THR 64 -2.776 24.420 12.581 507 HG21 THR 64 1HG2 THR 64 -4.736 25.792 12.748 508 HG22 THR 64 2HG2 THR 64 -5.552 26.199 11.220 509 HG23 THR 64 3HG2 THR 64 -5.611 24.534 11.845 510 H CYS 65 H CYS 65 -6.584 24.744 9.287 511 HA CYS 65 HA CYS 65 -6.482 27.452 7.926 512 HB2 CYS 65 1HB CYS 65 -6.663 25.448 6.392 513 HB3 CYS 65 2HB CYS 65 -8.183 25.028 7.219 514 HG CYS 65 HG CYS 65 -7.516 27.872 5.764 515 H SER 66 H SER 66 -7.905 28.871 8.741 516 HA SER 66 HA SER 66 -9.914 27.900 10.794 517 HB2 SER 66 1HB SER 66 -8.223 29.078 11.814 518 HB3 SER 66 2HB SER 66 -8.385 30.424 10.663 519 HG SER 66 HG SER 66 -9.503 30.794 12.628 520 H LEU 67 H LEU 67 -11.997 28.361 10.459 521 HA LEU 67 HA LEU 67 -12.686 30.331 8.303 522 HB2 LEU 67 1HB LEU 67 -13.251 28.209 7.704 523 HB3 LEU 67 2HB LEU 67 -14.129 27.780 9.190 524 HG LEU 67 HG LEU 67 -15.783 29.596 8.642 525 HD11 LEU 67 1HD1 LEU 67 -15.835 30.411 6.270 526 HD12 LEU 67 2HD1 LEU 67 -14.331 30.896 7.086 527 HD13 LEU 67 3HD1 LEU 67 -14.326 29.527 5.948 528 HD21 LEU 67 3HD2 LEU 67 -16.287 27.266 8.202 529 HD22 LEU 67 1HD2 LEU 67 -16.975 28.288 6.918 530 HD23 LEU 67 2HD2 LEU 67 -15.484 27.361 6.616 531 H HIS 68 H HIS 68 -13.508 32.144 8.927 532 HA HIS 68 HA HIS 68 -14.894 32.217 11.586 533 HB2 HIS 68 1HB HIS 68 -12.864 33.576 11.632 534 HB3 HIS 68 2HB HIS 68 -13.330 34.386 10.118 535 HD1 HIS 68 HD2 HIS 68 -14.464 34.067 13.733 536 HD2 HIS 68 HE1 HIS 68 -14.802 36.765 10.513 537 HE1 HIS 68 HE2 HIS 68 -15.649 36.016 14.608 538 H THR 69 H THR 69 -16.969 32.531 11.602 539 HA THR 69 HA THR 69 -18.241 33.932 9.293 540 HB THR 69 HB THR 69 -19.486 32.473 11.664 541 HG1 THR 69 HG1 THR 69 -20.088 31.011 9.872 542 HG21 THR 69 1HG2 THR 69 -21.592 32.707 10.396 543 HG22 THR 69 2HG2 THR 69 -20.909 34.300 10.801 544 HG23 THR 69 3HG2 THR 69 -20.738 33.651 9.153 545 H THR 70 H THR 70 -18.481 36.008 9.350 546 HA THR 70 HA THR 70 -17.873 37.566 11.683 547 HB THR 70 HB THR 70 -19.346 38.357 9.136 548 HG1 THR 70 HG1 THR 70 -17.237 39.184 8.607 549 HG21 THR 70 1HG2 THR 70 -18.725 40.663 9.765 550 HG22 THR 70 2HG2 THR 70 -19.777 39.926 10.997 551 HG23 THR 70 3HG2 THR 70 -18.027 40.061 11.287 552 H ALA 71 H ALA 71 -20.973 36.650 10.198 553 HA ALA 71 HA ALA 71 -22.293 37.301 12.766 554 HB1 ALA 71 3HB ALA 71 -23.173 38.448 10.096 555 HB2 ALA 71 1HB ALA 71 -24.067 38.576 11.628 556 HB3 ALA 71 2HB ALA 71 -22.483 39.364 11.451 557 H SER 72 H SER 72 -22.601 35.120 13.086 558 HA SER 72 HA SER 72 -23.720 33.328 11.049 559 HB2 SER 72 1HB SER 72 -22.220 32.543 12.660 560 HB3 SER 72 2HB SER 72 -23.355 32.965 13.962 561 HG SER 72 HG SER 72 -23.847 31.151 11.836 562 H THR 73 H THR 73 -25.758 33.813 10.344 563 HA THR 73 HA THR 73 -27.865 34.268 12.425 564 HB THR 73 HB THR 73 -29.251 35.171 10.636 565 HG1 THR 73 HG1 THR 73 -27.050 34.469 8.950 566 HG21 THR 73 1HG2 THR 73 -27.918 37.152 10.002 567 HG22 THR 73 2HG2 THR 73 -27.661 36.726 11.711 568 HG23 THR 73 3HG2 THR 73 -26.431 36.309 10.495 569 H LEU 74 H LEU 74 -30.101 33.519 11.401 570 HA LEU 74 HA LEU 74 -30.037 30.661 11.652 571 HB2 LEU 74 1HB LEU 74 -32.019 32.579 10.630 572 HB3 LEU 74 2HB LEU 74 -32.499 30.886 10.888 573 HG LEU 74 HG LEU 74 -31.574 32.849 13.023 574 HD11 LEU 74 1HD1 LEU 74 -33.926 32.630 13.870 575 HD12 LEU 74 2HD1 LEU 74 -33.893 33.275 12.212 576 HD13 LEU 74 3HD1 LEU 74 -34.306 31.566 12.495 577 HD21 LEU 74 3HD2 LEU 74 -30.834 30.593 13.515 578 HD22 LEU 74 1HD2 LEU 74 -32.141 31.059 14.629 579 HD23 LEU 74 2HD2 LEU 74 -32.481 29.967 13.266 580 H ASP 75 H ASP 75 -29.822 32.777 8.893 581 HA ASP 75 HA ASP 75 -30.220 30.615 6.948 582 HB2 ASP 75 1HB ASP 75 -29.125 33.472 6.629 583 HB3 ASP 75 2HB ASP 75 -29.262 32.173 5.417 584 H ASP 76 H ASP 76 -27.629 31.758 8.905 585 HA ASP 76 HA ASP 76 -25.604 30.386 7.214 586 HB2 ASP 76 1HB ASP 76 -25.210 31.922 9.854 587 HB3 ASP 76 2HB ASP 76 -24.049 31.140 8.755 588 H ASP 77 H ASP 77 -27.672 29.741 9.863 589 HA ASP 77 HA ASP 77 -26.238 27.643 11.153 590 HB2 ASP 77 1HB ASP 77 -28.542 28.599 11.874 591 HB3 ASP 77 2HB ASP 77 -29.093 27.725 10.426 592 H GLY 78 H GLY 78 -25.544 25.747 10.580 593 HA2 GLY 78 1HA GLY 78 -26.709 23.791 9.060 594 HA3 GLY 78 2HA GLY 78 -25.975 24.847 7.832 595 H ASN 79 H ASN 79 -24.694 22.918 7.322 596 HA ASN 79 HA ASN 79 -22.601 22.275 9.371 597 HB2 ASN 79 1HB ASN 79 -23.328 20.424 6.988 598 HB3 ASN 79 2HB ASN 79 -22.209 20.446 8.372 599 HD21 ASN 79 2HD2 ASN 79 -25.269 19.585 7.246 600 HD22 ASN 79 1HD2 ASN 79 -25.979 19.123 8.757 601 H TYR 80 H TYR 80 -20.866 23.449 9.129 602 HA TYR 80 HA TYR 80 -19.925 24.237 6.446 603 HB2 TYR 80 1HB TYR 80 -18.782 24.620 9.222 604 HB3 TYR 80 2HB TYR 80 -18.060 25.255 7.721 605 HD1 TYR 80 HD1 TYR 80 -21.162 25.399 9.804 606 HD2 TYR 80 HD2 TYR 80 -18.747 27.339 6.872 607 HE1 TYR 80 HE1 TYR 80 -22.584 27.421 9.979 608 HE2 TYR 80 HE2 TYR 80 -20.156 29.363 7.035 609 HH TYR 80 HH TYR 80 -23.166 29.429 8.760 610 H THR 81 H THR 81 -19.791 21.959 5.747 611 HA THR 81 HA THR 81 -17.955 20.147 7.043 612 HB THR 81 HB THR 81 -19.004 20.109 4.181 613 HG1 THR 81 HG1 THR 81 -20.545 18.637 5.116 614 HG21 THR 81 1HG2 THR 81 -18.499 17.693 4.297 615 HG22 THR 81 2HG2 THR 81 -17.027 18.667 4.532 616 HG23 THR 81 3HG2 THR 81 -17.827 17.912 5.930 617 H ILE 82 H ILE 82 -15.881 19.756 6.840 618 HA ILE 82 HA ILE 82 -14.364 21.366 4.801 619 HB ILE 82 HB ILE 82 -13.601 22.019 6.987 620 HG12 ILE 82 1HG1 ILE 82 -11.764 19.868 5.965 621 HG13 ILE 82 2HG1 ILE 82 -11.883 21.527 5.337 622 HG21 ILE 82 1HG2 ILE 82 -12.944 20.373 8.710 623 HG22 ILE 82 2HG2 ILE 82 -14.656 20.187 8.267 624 HG23 ILE 82 3HG2 ILE 82 -13.446 19.047 7.635 625 HD11 ILE 82 3HD1 ILE 82 -11.037 20.747 8.149 626 HD12 ILE 82 1HD1 ILE 82 -9.952 21.286 6.846 627 HD13 ILE 82 2HD1 ILE 82 -11.157 22.408 7.521 628 H MET 83 H MET 83 -12.929 20.500 3.482 629 HA MET 83 HA MET 83 -12.920 17.495 3.410 630 HB2 MET 83 1HB MET 83 -14.336 18.406 1.674 631 HB3 MET 83 2HB MET 83 -13.029 19.494 1.146 632 HG2 MET 83 1HG MET 83 -11.693 17.611 0.419 633 HG3 MET 83 2HG MET 83 -12.890 16.465 1.069 634 HE1 MET 83 3HE MET 83 -11.998 19.014 -1.759 635 HE2 MET 83 1HE MET 83 -13.538 19.172 -2.637 636 HE3 MET 83 2HE MET 83 -13.383 19.825 -0.988 637 H ALA 84 H ALA 84 -11.046 16.621 3.702 638 HA ALA 84 HA ALA 84 -8.603 18.226 3.272 639 HB1 ALA 84 3HB ALA 84 -8.984 15.411 4.350 640 HB2 ALA 84 1HB ALA 84 -7.449 16.308 4.306 641 HB3 ALA 84 2HB ALA 84 -8.790 16.889 5.321 642 H ALA 85 H ALA 85 -9.254 18.271 0.906 643 HA ALA 85 HA ALA 85 -8.934 15.781 -0.577 644 HB1 ALA 85 3HB ALA 85 -9.111 18.661 -1.532 645 HB2 ALA 85 1HB ALA 85 -9.199 17.215 -2.564 646 HB3 ALA 85 2HB ALA 85 -10.470 17.528 -1.361 647 H ASN 86 H ASN 86 -7.130 14.856 -1.172 648 HA ASN 86 HA ASN 86 -4.948 16.538 -2.247 649 HB2 ASN 86 1HB ASN 86 -3.200 15.855 -0.646 650 HB3 ASN 86 2HB ASN 86 -4.790 16.155 0.095 651 HD21 ASN 86 2HD2 ASN 86 -2.953 14.776 1.486 652 HD22 ASN 86 1HD2 ASN 86 -3.396 13.105 1.595 653 HA PRO 87 HA PRO 87 -4.162 13.490 -5.156 654 HB2 PRO 87 1HB PRO 87 -1.434 12.847 -3.955 655 HB3 PRO 87 2HB PRO 87 -1.827 13.327 -5.612 656 HG2 PRO 87 1HG PRO 87 -0.708 15.105 -3.974 657 HG3 PRO 87 2HG PRO 87 -2.012 15.623 -5.050 658 HD2 PRO 87 1HD PRO 87 -2.127 15.035 -2.065 659 HD3 PRO 87 2HD PRO 87 -2.947 16.308 -2.978 660 H GLN 88 H GLN 88 -3.727 12.554 -1.844 661 HA GLN 88 HA GLN 88 -3.594 9.680 -2.601 662 HB2 GLN 88 1HB GLN 88 -3.423 11.041 0.096 663 HB3 GLN 88 2HB GLN 88 -3.163 9.310 -0.229 664 HG2 GLN 88 1HG GLN 88 -1.170 11.581 -1.085 665 HG3 GLN 88 2HG GLN 88 -1.242 10.271 0.114 666 HE21 GLN 88 2HE2 GLN 88 -0.111 11.170 -2.894 667 HE22 GLN 88 1HE2 GLN 88 0.176 9.599 -3.568 668 H GLY 89 H GLY 89 -5.945 11.941 -2.024 669 HA2 GLY 89 1HA GLY 89 -8.195 10.604 -2.300 670 HA3 GLY 89 2HA GLY 89 -7.762 10.009 -0.678 671 H ARG 90 H ARG 90 -9.767 10.970 0.042 672 HA ARG 90 HA ARG 90 -9.292 13.725 0.994 673 HB2 ARG 90 1HB ARG 90 -11.343 14.627 0.317 674 HB3 ARG 90 2HB ARG 90 -10.369 14.138 -1.090 675 HG2 ARG 90 1HG ARG 90 -11.760 12.142 -1.374 676 HG3 ARG 90 2HG ARG 90 -12.722 12.600 0.052 677 HD2 ARG 90 1HD ARG 90 -13.415 14.631 -1.119 678 HD3 ARG 90 2HD ARG 90 -12.525 14.075 -2.554 679 HE ARG 90 HE ARG 90 -14.499 12.059 -1.938 680 HH11 ARG 90 1HH1 ARG 90 -14.444 15.397 -2.940 681 HH12 ARG 90 2HH1 ARG 90 -15.960 15.174 -3.790 682 HH21 ARG 90 1HH2 ARG 90 -16.240 11.788 -2.900 683 HH22 ARG 90 2HH2 ARG 90 -16.986 13.116 -3.768 684 H VAL 91 H VAL 91 -10.395 14.278 2.828 685 HA VAL 91 HA VAL 91 -12.207 12.179 4.001 686 HB VAL 91 HB VAL 91 -10.086 13.773 5.501 687 HG11 VAL 91 1HG1 VAL 91 -10.768 12.362 7.413 688 HG12 VAL 91 2HG1 VAL 91 -12.137 13.323 6.806 689 HG13 VAL 91 3HG1 VAL 91 -12.015 11.595 6.402 690 HG21 VAL 91 3HG2 VAL 91 -9.047 12.050 4.152 691 HG22 VAL 91 1HG2 VAL 91 -8.982 11.627 5.879 692 HG23 VAL 91 2HG2 VAL 91 -10.165 10.832 4.812 693 H SER 92 H SER 92 -14.013 12.801 4.855 694 HA SER 92 HA SER 92 -14.657 15.753 4.730 695 HB2 SER 92 1HB SER 92 -15.920 14.516 3.264 696 HB3 SER 92 2HB SER 92 -16.381 13.359 4.534 697 HG SER 92 HG SER 92 -17.976 14.961 4.172 698 H CYS 93 H CYS 93 -14.980 16.816 6.576 699 HA CYS 93 HA CYS 93 -15.965 15.300 9.012 700 HB2 CYS 93 1HB CYS 93 -13.541 15.810 9.078 701 HB3 CYS 93 2HB CYS 93 -13.893 17.523 8.745 702 HG CYS 93 HG CYS 93 -14.825 15.716 11.302 703 H THR 94 H THR 94 -17.732 16.175 9.912 704 HA THR 94 HA THR 94 -19.027 18.379 8.476 705 HB THR 94 HB THR 94 -19.941 16.826 10.932 706 HG1 THR 94 HG1 THR 94 -21.211 15.702 9.338 707 HG21 THR 94 1HG2 THR 94 -22.179 17.666 10.312 708 HG22 THR 94 2HG2 THR 94 -21.065 19.010 10.663 709 HG23 THR 94 3HG2 THR 94 -21.461 18.598 8.977 710 H GLY 95 H GLY 95 -19.092 20.428 8.941 711 HA2 GLY 95 1HA GLY 95 -17.975 21.308 11.557 712 HA3 GLY 95 2HA GLY 95 -18.156 22.313 10.100 713 H ARG 96 H ARG 96 -20.317 20.259 12.103 714 HA ARG 96 HA ARG 96 -22.691 21.694 11.559 715 HB2 ARG 96 1HB ARG 96 -22.636 19.497 12.538 716 HB3 ARG 96 2HB ARG 96 -22.023 20.196 14.055 717 HG2 ARG 96 1HG ARG 96 -24.075 21.454 14.356 718 HG3 ARG 96 2HG ARG 96 -24.683 20.898 12.777 719 HD2 ARG 96 1HD ARG 96 -24.690 18.607 13.631 720 HD3 ARG 96 2HD ARG 96 -24.184 19.227 15.219 721 HE ARG 96 HE ARG 96 -26.732 20.449 14.455 722 HH11 ARG 96 1HH1 ARG 96 -25.409 17.418 15.562 723 HH12 ARG 96 2HH1 ARG 96 -26.934 17.025 16.328 724 HH21 ARG 96 1HH2 ARG 96 -28.488 20.009 15.321 725 HH22 ARG 96 2HH2 ARG 96 -28.691 18.502 16.192 726 H LEU 97 H LEU 97 -23.097 23.745 11.802 727 HA LEU 97 HA LEU 97 -22.546 24.904 14.509 728 HB2 LEU 97 1HB LEU 97 -21.140 25.903 13.059 729 HB3 LEU 97 2HB LEU 97 -22.318 26.246 11.772 730 HG LEU 97 HG LEU 97 -23.505 27.777 13.386 731 HD11 LEU 97 1HD1 LEU 97 -22.184 28.578 15.364 732 HD12 LEU 97 2HD1 LEU 97 -22.537 26.839 15.484 733 HD13 LEU 97 3HD1 LEU 97 -20.920 27.385 14.984 734 HD21 LEU 97 3HD2 LEU 97 -22.060 28.653 11.648 735 HD22 LEU 97 1HD2 LEU 97 -21.899 29.637 13.122 736 HD23 LEU 97 2HD2 LEU 97 -20.633 28.461 12.694 737 H MET 98 H MET 98 -24.337 24.984 15.600 738 HA MET 98 HA MET 98 -26.895 25.503 14.147 739 HB2 MET 98 1HB MET 98 -26.330 24.616 16.979 740 HB3 MET 98 2HB MET 98 -27.943 24.843 16.261 741 HG2 MET 98 1HG MET 98 -25.865 22.836 15.335 742 HG3 MET 98 2HG MET 98 -27.266 22.462 16.366 743 HE1 MET 98 3HE MET 98 -29.620 24.119 15.192 744 HE2 MET 98 1HE MET 98 -30.294 22.998 13.985 745 HE3 MET 98 2HE MET 98 -29.737 22.381 15.559 746 H VAL 99 H VAL 99 -28.214 27.173 14.532 747 HA VAL 99 HA VAL 99 -27.057 29.398 16.212 748 HB VAL 99 HB VAL 99 -28.662 29.595 13.630 749 HG11 VAL 99 1HG1 VAL 99 -28.197 32.014 13.830 750 HG12 VAL 99 2HG1 VAL 99 -29.123 31.423 15.229 751 HG13 VAL 99 3HG1 VAL 99 -27.376 31.729 15.382 752 HG21 VAL 99 3HG2 VAL 99 -26.402 28.842 13.193 753 HG22 VAL 99 1HG2 VAL 99 -26.625 30.522 12.653 754 HG23 VAL 99 2HG2 VAL 99 -25.747 30.184 14.163 755 H GLN 100 H GLN 100 -28.130 29.974 17.869 756 HA GLN 100 HA GLN 100 -30.960 29.201 18.160 757 HB2 GLN 100 1HB GLN 100 -29.621 29.036 20.109 758 HB3 GLN 100 2HB GLN 100 -28.965 30.673 19.876 759 HG2 GLN 100 1HG GLN 100 -30.763 30.989 21.695 760 HG3 GLN 100 2HG GLN 100 -31.170 31.462 20.029 761 HE21 GLN 100 2HE2 GLN 100 -33.380 31.277 20.253 762 HE22 GLN 100 1HE2 GLN 100 -34.185 29.761 20.493 763 H ALA 101 H ALA 101 -32.597 30.288 17.454 764 HA ALA 101 HA ALA 101 -32.393 32.864 16.259 765 HB1 ALA 101 3HB ALA 101 -34.835 31.448 17.382 766 HB2 ALA 101 1HB ALA 101 -34.859 32.842 16.281 767 HB3 ALA 101 2HB ALA 101 -34.198 31.284 15.728 768 H VAL 102 H VAL 102 -32.539 34.878 16.956 769 HA VAL 102 HA VAL 102 -33.214 35.318 19.861 770 HB VAL 102 HB VAL 102 -31.264 36.865 18.112 771 HG11 VAL 102 1HG1 VAL 102 -30.750 38.077 20.204 772 HG12 VAL 102 2HG1 VAL 102 -32.460 38.275 19.753 773 HG13 VAL 102 3HG1 VAL 102 -32.006 37.146 21.053 774 HG21 VAL 102 3HG2 VAL 102 -30.353 34.708 18.728 775 HG22 VAL 102 1HG2 VAL 102 -29.532 36.016 19.612 776 HG23 VAL 102 2HG2 VAL 102 -30.745 35.009 20.439 777 H ASN 103 H ASN 103 -35.065 36.190 20.140 778 HA ASN 103 HA ASN 103 -36.473 37.470 17.938 779 HB2 ASN 103 1HB ASN 103 -37.398 37.254 20.898 780 HB3 ASN 103 2HB ASN 103 -38.027 38.011 19.415 781 HD21 ASN 103 2HD2 ASN 103 -39.005 35.792 21.145 782 HD22 ASN 103 1HD2 ASN 103 -39.280 34.468 20.061 783 H GLN 104 H GLN 104 -34.306 38.576 20.356 784 HA GLN 104 HA GLN 104 -35.297 41.363 20.197 785 HB2 GLN 104 1HB GLN 104 -32.905 40.158 21.606 786 HB3 GLN 104 2HB GLN 104 -33.473 41.837 21.757 787 HG2 GLN 104 1HG GLN 104 -34.995 39.356 22.940 788 HG3 GLN 104 2HG GLN 104 -34.013 40.710 23.546 789 HE21 GLN 104 2HE2 GLN 104 -37.113 39.606 23.045 790 HE22 GLN 104 1HE2 GLN 104 -37.958 41.118 23.047 791 H ARG 105 H ARG 105 -33.411 39.396 18.319 792 HA ARG 105 HA ARG 105 -31.290 41.247 17.615 793 HB2 ARG 105 1HB ARG 105 -31.027 38.910 17.283 794 HB3 ARG 105 2HB ARG 105 -32.381 38.898 16.129 795 HG2 ARG 105 1HG ARG 105 -30.326 38.857 14.880 796 HG3 ARG 105 2HG ARG 105 -31.082 40.456 14.675 797 HD2 ARG 105 1HD ARG 105 -28.758 40.743 14.927 798 HD3 ARG 105 2HD ARG 105 -29.560 41.324 16.405 799 HE ARG 105 HE ARG 105 -28.465 38.597 16.745 800 HH11 ARG 105 1HH1 ARG 105 -27.638 41.984 16.822 801 HH12 ARG 105 2HH1 ARG 105 -26.328 41.643 17.935 802 HH21 ARG 105 1HH2 ARG 105 -26.964 38.190 18.013 803 HH22 ARG 105 2HH2 ARG 105 -25.941 39.481 18.615 804 H GLY 106 H GLY 106 -31.601 43.154 16.789 805 HA2 GLY 106 1HA GLY 106 -34.059 43.859 15.433 806 HA3 GLY 106 2HA GLY 106 -32.623 44.892 15.643 807 H ARG 107 H ARG 107 -31.133 42.410 14.424 808 HA ARG 107 HA ARG 107 -31.328 43.418 11.641 809 HB2 ARG 107 1HB ARG 107 -29.381 41.562 12.936 810 HB3 ARG 107 2HB ARG 107 -29.382 42.031 11.220 811 HG2 ARG 107 1HG ARG 107 -29.064 44.389 11.879 812 HG3 ARG 107 2HG ARG 107 -29.022 43.894 13.588 813 HD2 ARG 107 1HD ARG 107 -27.034 42.576 13.141 814 HD3 ARG 107 2HD ARG 107 -27.071 43.113 11.445 815 HE ARG 107 HE ARG 107 -26.827 45.477 13.086 816 HH11 ARG 107 1HH1 ARG 107 -24.948 42.630 12.365 817 HH12 ARG 107 2HH1 ARG 107 -23.469 43.533 12.623 818 HH21 ARG 107 1HH2 ARG 107 -25.142 46.524 13.394 819 HH22 ARG 107 2HH2 ARG 107 -23.578 45.754 13.211 820 H SER 108 H SER 108 -32.943 41.178 13.400 821 HA SER 108 HA SER 108 -33.039 38.869 11.624 822 HB2 SER 108 1HB SER 108 -34.912 39.852 13.687 823 HB3 SER 108 2HB SER 108 -35.056 38.336 12.769 824 HG SER 108 HG SER 108 -33.012 37.745 13.602 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 1.030 3.107 3.493 2 H2 GLY 1 2H GLY 1 0.149 2.268 2.615 3 H3 GLY 1 3H GLY 1 1.571 2.533 2.218 4 HA2 GLY 1 1HA GLY 1 -0.670 4.099 1.450 5 HA3 GLY 1 2HA GLY 1 0.375 5.094 2.491 6 H GLY 2 H GLY 2 1.139 2.589 0.053 7 HA2 GLY 2 1HA GLY 2 2.274 2.749 -1.970 8 HA3 GLY 2 2HA GLY 2 2.096 4.519 -1.891 9 H SER 3 H SER 3 3.899 5.650 -1.652 10 HA SER 3 HA SER 3 6.150 4.683 0.059 11 HB2 SER 3 1HB SER 3 6.590 3.464 -1.869 12 HB3 SER 3 2HB SER 3 6.487 4.928 -2.872 13 HG SER 3 HG SER 3 8.639 4.394 -2.300 14 H ASN 4 H ASN 4 6.985 6.409 1.043 15 HA ASN 4 HA ASN 4 7.361 8.634 1.609 16 HB2 ASN 4 1HB ASN 4 8.821 8.371 -0.751 17 HB3 ASN 4 2HB ASN 4 7.321 9.247 -1.143 18 HD21 ASN 4 2HD2 ASN 4 8.900 10.876 -1.821 19 HD22 ASN 4 1HD2 ASN 4 9.469 12.007 -0.639 20 H ALA 5 H ALA 5 4.717 7.984 1.612 21 HA ALA 5 HA ALA 5 3.526 10.609 1.071 22 HB1 ALA 5 3HB ALA 5 2.470 8.123 -0.317 23 HB2 ALA 5 1HB ALA 5 1.678 9.715 -0.288 24 HB3 ALA 5 2HB ALA 5 3.246 9.517 -1.107 25 H THR 6 H THR 6 1.463 10.910 2.030 26 HA THR 6 HA THR 6 0.643 8.797 3.971 27 HB THR 6 HB THR 6 1.178 11.694 4.737 28 HG1 THR 6 HG1 THR 6 2.520 9.265 5.427 29 HG21 THR 6 1HG2 THR 6 0.623 10.922 7.015 30 HG22 THR 6 2HG2 THR 6 -0.753 10.692 5.909 31 HG23 THR 6 3HG2 THR 6 0.255 9.302 6.377 32 H ALA 7 H ALA 7 -1.438 8.514 4.110 33 HA ALA 7 HA ALA 7 -3.215 9.929 2.377 34 HB1 ALA 7 3HB ALA 7 -3.833 8.159 4.768 35 HB2 ALA 7 1HB ALA 7 -4.995 8.662 3.519 36 HB3 ALA 7 2HB ALA 7 -3.622 7.616 3.088 37 HA PRO 8 HA PRO 8 -4.420 13.462 4.676 38 HB2 PRO 8 1HB PRO 8 -7.100 13.629 3.916 39 HB3 PRO 8 2HB PRO 8 -5.786 14.107 2.830 40 HG2 PRO 8 1HG PRO 8 -7.316 11.487 2.940 41 HG3 PRO 8 2HG PRO 8 -6.858 12.449 1.528 42 HD2 PRO 8 1HD PRO 8 -5.408 10.260 2.219 43 HD3 PRO 8 2HD PRO 8 -4.594 11.694 1.581 44 H PHE 9 H PHE 9 -5.293 14.071 6.543 45 HA PHE 9 HA PHE 9 -7.212 12.401 7.978 46 HB2 PHE 9 1HB PHE 9 -5.257 10.958 8.269 47 HB3 PHE 9 2HB PHE 9 -4.280 12.342 8.807 48 HD1 PHE 9 HD1 PHE 9 -7.284 10.330 9.671 49 HD2 PHE 9 HD2 PHE 9 -4.157 12.901 11.034 50 HE1 PHE 9 HE1 PHE 9 -7.934 9.877 12.014 51 HE2 PHE 9 HE2 PHE 9 -4.802 12.449 13.378 52 HZ PHE 9 HZ PHE 9 -6.694 10.937 13.866 53 H PHE 10 H PHE 10 -8.181 13.444 9.574 54 HA PHE 10 HA PHE 10 -7.274 16.219 10.142 55 HB2 PHE 10 1HB PHE 10 -9.814 14.682 10.829 56 HB3 PHE 10 2HB PHE 10 -9.473 16.340 11.375 57 HD1 PHE 10 HD2 PHE 10 -9.118 18.125 9.634 58 HD2 PHE 10 HD1 PHE 10 -10.737 14.272 8.749 59 HE1 PHE 10 HE2 PHE 10 -10.089 19.017 7.543 60 HE2 PHE 10 HE1 PHE 10 -11.708 15.159 6.656 61 HZ PHE 10 HZ PHE 10 -11.385 17.532 6.053 62 H GLU 11 H GLU 11 -5.559 16.148 11.453 63 HA GLU 11 HA GLU 11 -5.564 14.531 13.895 64 HB2 GLU 11 1HB GLU 11 -3.518 15.669 14.410 65 HB3 GLU 11 2HB GLU 11 -3.500 15.103 12.722 66 HG2 GLU 11 1HG GLU 11 -4.014 17.485 11.973 67 HG3 GLU 11 2HG GLU 11 -4.030 17.875 13.708 68 H MET 12 H MET 12 -6.855 17.580 12.964 69 HA MET 12 HA MET 12 -8.016 17.675 15.703 70 HB2 MET 12 1HB MET 12 -6.186 19.316 15.623 71 HB3 MET 12 2HB MET 12 -6.957 20.076 14.210 72 HG2 MET 12 1HG MET 12 -8.925 20.621 15.582 73 HG3 MET 12 2HG MET 12 -8.146 19.868 16.994 74 HE1 MET 12 3HE MET 12 -8.514 22.990 14.766 75 HE2 MET 12 1HE MET 12 -7.000 23.889 15.029 76 HE3 MET 12 2HE MET 12 -6.981 22.364 14.111 77 H LYS 13 H LYS 13 -10.063 17.268 15.421 78 HA LYS 13 HA LYS 13 -11.314 18.022 12.825 79 HB2 LYS 13 1HB LYS 13 -12.208 16.212 15.073 80 HB3 LYS 13 2HB LYS 13 -13.137 16.539 13.592 81 HG2 LYS 13 1HG LYS 13 -11.304 15.560 12.247 82 HG3 LYS 13 2HG LYS 13 -10.418 15.193 13.745 83 HD2 LYS 13 1HD LYS 13 -12.265 13.748 14.489 84 HD3 LYS 13 2HD LYS 13 -13.158 14.118 12.995 85 HE2 LYS 13 1HE LYS 13 -11.334 13.130 11.667 86 HE3 LYS 13 2HE LYS 13 -10.459 12.743 13.167 87 HZ1 LYS 13 3HZ LYS 13 -13.100 11.676 12.400 88 HZ2 LYS 13 1HZ LYS 13 -11.676 10.848 12.333 89 HZ3 LYS 13 2HZ LYS 13 -12.289 11.317 13.791 90 H LEU 14 H LEU 14 -13.720 18.521 12.991 91 HA LEU 14 HA LEU 14 -13.979 20.860 14.795 92 HB2 LEU 14 1HB LEU 14 -15.628 19.716 12.635 93 HB3 LEU 14 2HB LEU 14 -16.101 21.248 13.402 94 HG LEU 14 HG LEU 14 -13.573 20.752 11.782 95 HD11 LEU 14 1HD1 LEU 14 -14.621 22.332 10.139 96 HD12 LEU 14 2HD1 LEU 14 -15.631 20.887 10.382 97 HD13 LEU 14 3HD1 LEU 14 -16.067 22.421 11.172 98 HD21 LEU 14 3HD2 LEU 14 -13.192 22.342 13.573 99 HD22 LEU 14 1HD2 LEU 14 -13.201 23.184 12.006 100 HD23 LEU 14 2HD2 LEU 14 -14.617 23.285 13.078 101 H LYS 15 H LYS 15 -15.790 21.249 16.101 102 HA LYS 15 HA LYS 15 -17.177 18.743 16.991 103 HB2 LYS 15 1HB LYS 15 -16.503 21.238 18.555 104 HB3 LYS 15 2HB LYS 15 -17.433 19.847 19.160 105 HG2 LYS 15 1HG LYS 15 -15.439 18.405 18.820 106 HG3 LYS 15 2HG LYS 15 -14.518 19.838 18.306 107 HD2 LYS 15 1HD LYS 15 -14.900 20.879 20.501 108 HD3 LYS 15 2HD LYS 15 -15.836 19.455 21.016 109 HE2 LYS 15 1HE LYS 15 -13.847 18.039 20.714 110 HE3 LYS 15 2HE LYS 15 -12.913 19.465 20.206 111 HZ1 LYS 15 3HZ LYS 15 -14.154 19.084 22.855 112 HZ2 LYS 15 1HZ LYS 15 -12.546 18.938 22.521 113 HZ3 LYS 15 2HZ LYS 15 -13.287 20.407 22.385 114 H HIS 16 H HIS 16 -19.249 19.358 18.260 115 HA HIS 16 HA HIS 16 -21.012 20.812 16.447 116 HB2 HIS 16 1HB HIS 16 -21.800 18.854 17.789 117 HB3 HIS 16 2HB HIS 16 -21.540 19.797 19.277 118 HD1 HIS 16 HD1 HIS 16 -24.157 19.211 19.564 119 HD2 HIS 16 HD2 HIS 16 -23.228 22.081 16.620 120 HE1 HIS 16 HE1 HIS 16 -26.258 20.340 19.035 121 H TYR 17 H TYR 17 -21.053 22.896 16.245 122 HA TYR 17 HA TYR 17 -20.218 24.580 18.564 123 HB2 TYR 17 1HB TYR 17 -20.583 25.215 15.629 124 HB3 TYR 17 2HB TYR 17 -20.072 26.371 16.882 125 HD1 TYR 17 HD2 TYR 17 -17.891 25.896 18.125 126 HD2 TYR 17 HD1 TYR 17 -18.987 23.851 14.547 127 HE1 TYR 17 HE2 TYR 17 -15.534 25.228 17.797 128 HE2 TYR 17 HE1 TYR 17 -16.629 23.173 14.203 129 HH TYR 17 HH TYR 17 -14.045 24.133 16.466 130 H LYS 18 H LYS 18 -21.409 26.187 19.419 131 HA LYS 18 HA LYS 18 -24.240 26.402 18.453 132 HB2 LYS 18 1HB LYS 18 -23.229 26.366 21.299 133 HB3 LYS 18 2HB LYS 18 -24.896 26.734 20.799 134 HG2 LYS 18 1HG LYS 18 -25.097 24.456 19.851 135 HG3 LYS 18 2HG LYS 18 -23.445 24.094 20.406 136 HD2 LYS 18 1HD LYS 18 -24.147 24.517 22.738 137 HD3 LYS 18 2HD LYS 18 -25.803 24.838 22.170 138 HE2 LYS 18 1HE LYS 18 -25.912 22.546 21.249 139 HE3 LYS 18 2HE LYS 18 -24.279 22.232 21.877 140 HZ1 LYS 18 3HZ LYS 18 -26.643 22.897 23.510 141 HZ2 LYS 18 1HZ LYS 18 -25.977 21.396 23.355 142 HZ3 LYS 18 2HZ LYS 18 -25.129 22.604 24.093 143 H ILE 19 H ILE 19 -24.721 28.321 17.754 144 HA ILE 19 HA ILE 19 -23.172 30.663 18.835 145 HB ILE 19 HB ILE 19 -23.943 30.255 15.913 146 HG12 ILE 19 1HG1 ILE 19 -21.292 30.126 15.828 147 HG13 ILE 19 2HG1 ILE 19 -21.560 29.371 17.416 148 HG21 ILE 19 1HG2 ILE 19 -22.365 32.125 15.557 149 HG22 ILE 19 2HG2 ILE 19 -23.672 32.593 16.669 150 HG23 ILE 19 3HG2 ILE 19 -22.058 32.200 17.308 151 HD11 ILE 19 3HD1 ILE 19 -22.803 28.479 14.790 152 HD12 ILE 19 1HD1 ILE 19 -21.458 27.676 15.631 153 HD13 ILE 19 2HD1 ILE 19 -23.072 27.725 16.379 154 H PHE 20 H PHE 20 -24.194 32.446 19.276 155 HA PHE 20 HA PHE 20 -27.091 32.546 19.163 156 HB2 PHE 20 1HB PHE 20 -25.006 34.707 19.685 157 HB3 PHE 20 2HB PHE 20 -26.761 34.922 19.873 158 HD1 PHE 20 HD1 PHE 20 -26.076 31.643 20.780 159 HD2 PHE 20 HD2 PHE 20 -25.617 35.662 22.154 160 HE1 PHE 20 HE1 PHE 20 -25.929 30.828 23.110 161 HE2 PHE 20 HE2 PHE 20 -25.467 34.851 24.484 162 HZ PHE 20 HZ PHE 20 -25.625 32.432 24.962 163 H GLU 21 H GLU 21 -28.465 33.457 17.797 164 HA GLU 21 HA GLU 21 -27.772 33.771 15.063 165 HB2 GLU 21 1HB GLU 21 -30.036 33.376 15.801 166 HB3 GLU 21 2HB GLU 21 -30.059 34.940 16.653 167 HG2 GLU 21 1HG GLU 21 -29.875 36.119 14.407 168 HG3 GLU 21 2HG GLU 21 -29.799 34.484 13.710 169 H GLY 22 H GLY 22 -26.529 35.152 14.104 170 HA2 GLY 22 1HA GLY 22 -26.166 37.348 13.252 171 HA3 GLY 22 2HA GLY 22 -26.907 38.032 14.718 172 H MET 23 H MET 23 -24.988 35.664 15.869 173 HA MET 23 HA MET 23 -22.900 37.636 16.621 174 HB2 MET 23 1HB MET 23 -24.145 36.213 18.275 175 HB3 MET 23 2HB MET 23 -23.302 34.807 17.580 176 HG2 MET 23 1HG MET 23 -21.146 35.762 18.220 177 HG3 MET 23 2HG MET 23 -21.962 37.205 18.871 178 HE1 MET 23 3HE MET 23 -20.805 33.582 19.471 179 HE2 MET 23 1HE MET 23 -21.882 32.990 20.759 180 HE3 MET 23 2HE MET 23 -22.522 33.265 19.120 181 HA PRO 24 HA PRO 24 -19.858 35.889 13.916 182 HB2 PRO 24 1HB PRO 24 -17.649 37.008 15.152 183 HB3 PRO 24 2HB PRO 24 -18.719 37.990 14.141 184 HG2 PRO 24 1HG PRO 24 -18.677 37.713 17.166 185 HG3 PRO 24 2HG PRO 24 -18.799 39.181 16.187 186 HD2 PRO 24 1HD PRO 24 -21.023 38.046 17.294 187 HD3 PRO 24 2HD PRO 24 -21.104 38.838 15.716 188 H VAL 25 H VAL 25 -18.403 34.274 13.893 189 HA VAL 25 HA VAL 25 -17.572 32.998 16.440 190 HB VAL 25 HB VAL 25 -19.804 31.980 16.021 191 HG11 VAL 25 1HG1 VAL 25 -20.136 30.599 13.998 192 HG12 VAL 25 2HG1 VAL 25 -19.883 32.308 13.572 193 HG13 VAL 25 3HG1 VAL 25 -18.559 31.135 13.373 194 HG21 VAL 25 3HG2 VAL 25 -18.062 30.657 17.060 195 HG22 VAL 25 1HG2 VAL 25 -19.084 29.645 16.014 196 HG23 VAL 25 2HG2 VAL 25 -17.468 30.148 15.461 197 H THR 26 H THR 26 -15.692 32.099 16.364 198 HA THR 26 HA THR 26 -14.501 31.640 13.646 199 HB THR 26 HB THR 26 -13.078 32.335 16.247 200 HG1 THR 26 HG1 THR 26 -14.012 33.840 14.080 201 HG21 THR 26 1HG2 THR 26 -11.076 32.503 14.810 202 HG22 THR 26 2HG2 THR 26 -11.762 30.861 14.762 203 HG23 THR 26 3HG2 THR 26 -12.038 31.981 13.408 204 H PHE 27 H PHE 27 -13.907 29.704 13.092 205 HA PHE 27 HA PHE 27 -13.114 27.750 15.181 206 HB2 PHE 27 1HB PHE 27 -14.617 26.005 14.144 207 HB3 PHE 27 2HB PHE 27 -15.504 27.293 14.990 208 HD1 PHE 27 HD2 PHE 27 -16.605 29.086 13.675 209 HD2 PHE 27 HD1 PHE 27 -14.940 25.589 11.872 210 HE1 PHE 27 HE2 PHE 27 -17.960 29.490 11.646 211 HE2 PHE 27 HE1 PHE 27 -16.291 25.991 9.840 212 HZ PHE 27 HZ PHE 27 -17.801 27.942 9.728 213 H THR 28 H THR 28 -12.095 25.834 14.316 214 HA THR 28 HA THR 28 -10.813 26.237 11.679 215 HB THR 28 HB THR 28 -9.576 27.801 13.198 216 HG1 THR 28 HG1 THR 28 -7.513 26.884 12.676 217 HG21 THR 28 1HG2 THR 28 -8.178 26.837 14.992 218 HG22 THR 28 2HG2 THR 28 -9.907 26.562 15.311 219 HG23 THR 28 3HG2 THR 28 -8.894 25.237 14.691 220 H CYS 29 H CYS 29 -9.312 24.581 11.111 221 HA CYS 29 HA CYS 29 -9.471 22.045 12.732 222 HB2 CYS 29 1HB CYS 29 -11.466 22.339 11.192 223 HB3 CYS 29 2HB CYS 29 -10.327 22.375 9.824 224 HG CYS 29 HG CYS 29 -9.358 20.054 10.190 225 H ARG 30 H ARG 30 -7.859 20.555 12.195 226 HA ARG 30 HA ARG 30 -5.655 21.656 10.488 227 HB2 ARG 30 1HB ARG 30 -5.185 22.238 12.748 228 HB3 ARG 30 2HB ARG 30 -5.365 20.538 13.242 229 HG2 ARG 30 1HG ARG 30 -3.439 19.913 11.880 230 HG3 ARG 30 2HG ARG 30 -3.276 21.591 11.310 231 HD2 ARG 30 1HD ARG 30 -2.761 22.313 13.548 232 HD3 ARG 30 2HD ARG 30 -2.955 20.647 14.141 233 HE ARG 30 HE ARG 30 -0.826 20.546 12.230 234 HH11 ARG 30 1HH1 ARG 30 -1.427 22.251 15.213 235 HH12 ARG 30 2HH1 ARG 30 0.290 22.258 15.562 236 HH21 ARG 30 1HH2 ARG 30 1.144 20.553 12.612 237 HH22 ARG 30 2HH2 ARG 30 1.758 21.291 14.079 238 H VAL 31 H VAL 31 -4.509 20.277 9.302 239 HA VAL 31 HA VAL 31 -5.338 17.380 9.433 240 HB VAL 31 HB VAL 31 -5.067 17.331 6.975 241 HG11 VAL 31 1HG1 VAL 31 -7.111 18.589 6.383 242 HG12 VAL 31 2HG1 VAL 31 -7.315 17.725 7.925 243 HG13 VAL 31 3HG1 VAL 31 -7.009 19.478 7.921 244 HG21 VAL 31 3HG2 VAL 31 -3.468 19.134 6.730 245 HG22 VAL 31 1HG2 VAL 31 -4.887 19.403 5.693 246 HG23 VAL 31 2HG2 VAL 31 -4.705 20.321 7.207 247 H ALA 32 H ALA 32 -3.874 15.866 8.512 248 HA ALA 32 HA ALA 32 -1.063 16.780 8.342 249 HB1 ALA 32 3HB ALA 32 -1.990 14.624 10.273 250 HB2 ALA 32 1HB ALA 32 -0.297 15.043 9.914 251 HB3 ALA 32 2HB ALA 32 -1.355 16.227 10.714 252 H GLY 33 H GLY 33 -1.501 16.312 6.109 253 HA2 GLY 33 1HA GLY 33 -1.216 13.374 5.583 254 HA3 GLY 33 2HA GLY 33 -2.066 14.487 4.484 255 H ASN 34 H ASN 34 -0.322 13.233 3.124 256 HA ASN 34 HA ASN 34 1.711 15.260 2.523 257 HB2 ASN 34 3HB ASN 34 2.767 13.725 4.336 258 HB3 ASN 34 2HB ASN 34 2.598 12.368 3.248 259 HD21 ASN 34 2HD2 ASN 34 5.013 13.167 4.361 260 HD22 ASN 34 1HD2 ASN 34 6.050 13.680 2.927 261 HA PRO 35 HA PRO 35 2.167 16.264 1.128 262 HB2 PRO 35 1HB PRO 35 0.278 17.132 -1.053 263 HB3 PRO 35 2HB PRO 35 1.992 17.522 -0.862 264 HG2 PRO 35 1HG PRO 35 1.207 15.815 -2.776 265 HG3 PRO 35 2HG PRO 35 2.708 15.522 -1.887 266 HD2 PRO 35 1HD PRO 35 -0.025 14.218 -1.485 267 HD3 PRO 35 2HD PRO 35 1.571 13.457 -1.506 268 H LYS 36 H LYS 36 1.182 18.071 2.045 269 HA LYS 36 HA LYS 36 -1.003 17.307 3.752 270 HB2 LYS 36 1HB LYS 36 0.256 19.984 3.148 271 HB3 LYS 36 2HB LYS 36 -0.989 19.720 4.393 272 HG2 LYS 36 1HG LYS 36 0.529 18.138 5.547 273 HG3 LYS 36 2HG LYS 36 1.778 18.469 4.324 274 HD2 LYS 36 1HD LYS 36 1.754 20.859 4.971 275 HD3 LYS 36 2HD LYS 36 0.545 20.492 6.225 276 HE2 LYS 36 1HE LYS 36 2.137 18.962 7.309 277 HE3 LYS 36 2HE LYS 36 3.345 19.334 6.058 278 HZ1 LYS 36 3HZ LYS 36 2.196 21.273 7.961 279 HZ2 LYS 36 1HZ LYS 36 3.707 20.620 8.054 280 HZ3 LYS 36 2HZ LYS 36 3.317 21.619 6.801 281 HA PRO 37 HA PRO 37 -4.462 17.920 1.194 282 HB2 PRO 37 1HB PRO 37 -5.800 18.624 3.843 283 HB3 PRO 37 2HB PRO 37 -6.315 17.448 2.626 284 HG2 PRO 37 1HG PRO 37 -5.186 16.591 4.886 285 HG3 PRO 37 2HG PRO 37 -4.762 15.812 3.353 286 HD2 PRO 37 1HD PRO 37 -3.140 17.767 5.007 287 HD3 PRO 37 2HD PRO 37 -2.580 16.429 3.996 288 H LYS 38 H LYS 38 -5.387 19.483 0.116 289 HA LYS 38 HA LYS 38 -4.891 22.273 0.980 290 HB2 LYS 38 1HB LYS 38 -6.244 21.107 -1.458 291 HB3 LYS 38 2HB LYS 38 -5.972 22.840 -1.161 292 HG2 LYS 38 1HG LYS 38 -3.543 22.472 -1.188 293 HG3 LYS 38 2HG LYS 38 -3.804 20.734 -1.461 294 HD2 LYS 38 1HD LYS 38 -4.900 21.210 -3.596 295 HD3 LYS 38 2HD LYS 38 -4.714 22.958 -3.318 296 HE2 LYS 38 1HE LYS 38 -2.272 22.703 -3.319 297 HE3 LYS 38 2HE LYS 38 -2.451 20.954 -3.582 298 HZ1 LYS 38 3HZ LYS 38 -3.344 23.067 -5.437 299 HZ2 LYS 38 1HZ LYS 38 -2.006 22.121 -5.633 300 HZ3 LYS 38 2HZ LYS 38 -3.510 21.445 -5.682 301 H ILE 39 H ILE 39 -6.172 22.114 2.921 302 HA ILE 39 HA ILE 39 -8.797 21.237 3.167 303 HB ILE 39 HB ILE 39 -7.454 23.669 4.422 304 HG12 ILE 39 1HG1 ILE 39 -8.131 20.972 5.565 305 HG13 ILE 39 2HG1 ILE 39 -6.544 21.438 4.908 306 HG21 ILE 39 1HG2 ILE 39 -9.309 23.668 6.055 307 HG22 ILE 39 2HG2 ILE 39 -9.904 23.994 4.410 308 HG23 ILE 39 3HG2 ILE 39 -10.121 22.382 5.131 309 HD11 ILE 39 3HD1 ILE 39 -7.939 22.733 7.276 310 HD12 ILE 39 1HD1 ILE 39 -6.572 21.600 7.366 311 HD13 ILE 39 2HD1 ILE 39 -6.353 23.200 6.620 312 H TYR 40 H TYR 40 -10.599 21.544 2.209 313 HA TYR 40 HA TYR 40 -11.199 24.319 1.227 314 HB2 TYR 40 1HB TYR 40 -12.303 21.641 0.352 315 HB3 TYR 40 2HB TYR 40 -12.886 23.228 -0.206 316 HD1 TYR 40 HD2 TYR 40 -11.142 24.763 -1.357 317 HD2 TYR 40 HD1 TYR 40 -10.571 20.573 -0.815 318 HE1 TYR 40 HE2 TYR 40 -9.436 24.776 -3.146 319 HE2 TYR 40 HE1 TYR 40 -8.859 20.566 -2.606 320 HH TYR 40 HH TYR 40 -7.959 23.539 -4.360 321 H TRP 41 H TRP 41 -13.047 25.319 1.772 322 HA TRP 41 HA TRP 41 -14.724 23.937 3.841 323 HB2 TRP 41 1HB TRP 41 -14.019 26.879 3.504 324 HB3 TRP 41 2HB TRP 41 -15.297 26.288 4.592 325 HD1 TRP 41 HD1 TRP 41 -11.635 26.474 4.158 326 HE1 TRP 41 HE1 TRP 41 -10.411 25.874 6.493 327 HE3 TRP 41 HE3 TRP 41 -15.719 24.895 6.740 328 HZ2 TRP 41 HZ2 TRP 41 -11.227 24.895 8.945 329 HZ3 TRP 41 HZ3 TRP 41 -15.494 24.143 9.027 330 HH2 TRP 41 HH2 TRP 41 -13.317 24.122 10.166 331 H PHE 42 H PHE 42 -16.811 23.682 3.534 332 HA PHE 42 HA PHE 42 -18.290 25.603 1.863 333 HB2 PHE 42 1HB PHE 42 -19.346 23.785 0.491 334 HB3 PHE 42 2HB PHE 42 -17.617 23.998 0.140 335 HD1 PHE 42 HD2 PHE 42 -15.981 22.361 0.932 336 HD2 PHE 42 HD1 PHE 42 -20.188 21.776 1.396 337 HE1 PHE 42 HE2 PHE 42 -15.600 19.951 1.330 338 HE2 PHE 42 HE1 PHE 42 -19.810 19.366 1.798 339 HZ PHE 42 HZ PHE 42 -17.516 18.453 1.764 340 H LYS 43 H LYS 43 -20.473 25.664 2.231 341 HA LYS 43 HA LYS 43 -21.263 24.228 4.748 342 HB2 LYS 43 1HB LYS 43 -20.994 26.734 4.803 343 HB3 LYS 43 2HB LYS 43 -22.354 26.823 3.659 344 HG2 LYS 43 1HG LYS 43 -22.761 25.265 6.175 345 HG3 LYS 43 2HG LYS 43 -22.681 27.037 6.313 346 HD2 LYS 43 1HD LYS 43 -24.406 27.137 4.448 347 HD3 LYS 43 2HD LYS 43 -24.604 25.380 4.657 348 HE2 LYS 43 1HE LYS 43 -25.004 25.908 7.141 349 HE3 LYS 43 2HE LYS 43 -25.204 27.596 6.619 350 HZ1 LYS 43 3HZ LYS 43 -26.792 25.303 5.656 351 HZ2 LYS 43 1HZ LYS 43 -27.308 26.443 6.730 352 HZ3 LYS 43 2HZ LYS 43 -26.979 26.869 5.170 353 H ASP 44 H ASP 44 -22.529 22.589 4.397 354 HA ASP 44 HA ASP 44 -24.110 21.222 3.371 355 HB2 ASP 44 1HB ASP 44 -25.597 23.902 3.072 356 HB3 ASP 44 2HB ASP 44 -26.149 22.236 2.774 357 H GLY 45 H GLY 45 -21.956 22.250 1.709 358 HA2 GLY 45 1HA GLY 45 -21.553 21.412 -0.497 359 HA3 GLY 45 2HA GLY 45 -23.281 21.607 -0.873 360 H LYS 46 H LYS 46 -22.439 24.312 0.795 361 HA LYS 46 HA LYS 46 -22.168 25.869 -1.734 362 HB2 LYS 46 1HB LYS 46 -22.759 26.728 1.103 363 HB3 LYS 46 2HB LYS 46 -22.700 27.796 -0.320 364 HG2 LYS 46 1HG LYS 46 -24.614 26.642 -1.304 365 HG3 LYS 46 2HG LYS 46 -24.650 25.501 0.062 366 HD2 LYS 46 1HD LYS 46 -25.136 27.337 1.609 367 HD3 LYS 46 2HD LYS 46 -25.050 28.504 0.268 368 HE2 LYS 46 1HE LYS 46 -26.924 27.287 -0.840 369 HE3 LYS 46 2HE LYS 46 -27.055 26.253 0.602 370 HZ1 LYS 46 3HZ LYS 46 -27.414 29.181 0.554 371 HZ2 LYS 46 1HZ LYS 46 -28.626 28.068 0.663 372 HZ3 LYS 46 2HZ LYS 46 -27.535 28.223 1.890 373 H GLN 47 H GLN 47 -20.131 25.916 -2.380 374 HA GLN 47 HA GLN 47 -17.843 25.799 -0.708 375 HB2 GLN 47 1HB GLN 47 -17.887 25.432 -3.162 376 HB3 GLN 47 2HB GLN 47 -18.132 27.180 -3.386 377 HG2 GLN 47 1HG GLN 47 -15.689 27.488 -2.249 378 HG3 GLN 47 2HG GLN 47 -15.949 25.729 -2.171 379 HE21 GLN 47 2HE2 GLN 47 -13.681 26.750 -3.343 380 HE22 GLN 47 1HE2 GLN 47 -13.741 26.500 -5.056 381 H ILE 48 H ILE 48 -16.772 27.132 0.521 382 HA ILE 48 HA ILE 48 -17.515 30.047 0.416 383 HB ILE 48 HB ILE 48 -16.432 28.371 2.731 384 HG12 ILE 48 1HG1 ILE 48 -19.099 29.722 2.411 385 HG13 ILE 48 2HG1 ILE 48 -18.788 27.988 2.164 386 HG21 ILE 48 1HG2 ILE 48 -16.709 30.437 4.059 387 HG22 ILE 48 2HG2 ILE 48 -15.548 30.679 2.735 388 HG23 ILE 48 3HG2 ILE 48 -17.203 31.314 2.593 389 HD11 ILE 48 3HD1 ILE 48 -18.401 29.511 4.765 390 HD12 ILE 48 1HD1 ILE 48 -19.747 28.410 4.394 391 HD13 ILE 48 2HD1 ILE 48 -18.088 27.777 4.518 392 H SER 49 H SER 49 -16.165 31.314 -0.478 393 HA SER 49 HA SER 49 -13.289 30.572 -0.782 394 HB2 SER 49 1HB SER 49 -13.103 32.383 -2.171 395 HB3 SER 49 2HB SER 49 -14.520 31.410 -2.629 396 HG SER 49 HG SER 49 -14.944 33.661 -2.648 397 HA PRO 50 HA PRO 50 -11.801 33.000 2.621 398 HB2 PRO 50 1HB PRO 50 -9.643 33.893 0.683 399 HB3 PRO 50 2HB PRO 50 -9.455 33.100 2.253 400 HG2 PRO 50 1HG PRO 50 -9.019 31.707 0.018 401 HG3 PRO 50 2HG PRO 50 -9.868 30.943 1.369 402 HD2 PRO 50 1HD PRO 50 -11.037 32.101 -1.201 403 HD3 PRO 50 2HD PRO 50 -11.463 30.600 -0.371 404 H LYS 51 H LYS 51 -12.038 34.941 3.418 405 HA LYS 51 HA LYS 51 -12.684 37.176 3.507 406 HB2 LYS 51 1HB LYS 51 -11.101 37.258 0.930 407 HB3 LYS 51 2HB LYS 51 -11.613 38.670 1.886 408 HG2 LYS 51 1HG LYS 51 -10.224 37.907 3.767 409 HG3 LYS 51 2HG LYS 51 -9.718 36.488 2.820 410 HD2 LYS 51 1HD LYS 51 -8.728 37.995 1.123 411 HD3 LYS 51 2HD LYS 51 -9.196 39.396 2.114 412 HE2 LYS 51 1HE LYS 51 -7.773 38.633 3.932 413 HE3 LYS 51 2HE LYS 51 -7.362 37.159 3.025 414 HZ1 LYS 51 3HZ LYS 51 -6.694 39.916 2.212 415 HZ2 LYS 51 1HZ LYS 51 -5.638 38.821 2.851 416 HZ3 LYS 51 2HZ LYS 51 -6.313 38.548 1.370 417 H SER 52 H SER 52 -14.658 35.545 2.576 418 HA SER 52 HA SER 52 -15.928 36.661 0.156 419 HB2 SER 52 1HB SER 52 -17.619 35.258 0.499 420 HB3 SER 52 2HB SER 52 -16.152 34.368 0.965 421 HG SER 52 HG SER 52 -17.752 34.032 2.494 422 H ASP 53 H ASP 53 -18.470 37.053 0.801 423 HA ASP 53 HA ASP 53 -18.458 39.751 1.837 424 HB2 ASP 53 1HB ASP 53 -20.792 37.869 1.127 425 HB3 ASP 53 2HB ASP 53 -20.841 39.536 1.752 426 H HIS 54 H HIS 54 -19.075 36.621 3.271 427 HA HIS 54 HA HIS 54 -19.828 37.995 5.822 428 HB2 HIS 54 1HB HIS 54 -21.209 35.558 4.610 429 HB3 HIS 54 2HB HIS 54 -21.536 36.244 6.219 430 HD2 HIS 54 HD2 HIS 54 -22.889 36.601 2.608 431 HE1 HIS 54 HE1 HIS 54 -24.080 40.026 4.823 432 HE2 HIS 54 HE2 HIS 54 -24.375 38.615 2.625 433 H TYR 55 H TYR 55 -17.755 35.937 4.248 434 HA TYR 55 HA TYR 55 -16.990 34.633 6.831 435 HB2 TYR 55 1HB TYR 55 -17.022 33.298 4.121 436 HB3 TYR 55 2HB TYR 55 -16.502 32.580 5.665 437 HD1 TYR 55 HD2 TYR 55 -18.204 32.104 7.432 438 HD2 TYR 55 HD1 TYR 55 -19.339 33.378 3.524 439 HE1 TYR 55 HE2 TYR 55 -20.511 31.327 7.860 440 HE2 TYR 55 HE1 TYR 55 -21.656 32.605 3.936 441 HH TYR 55 HH TYR 55 -22.561 30.844 6.862 442 H THR 56 H THR 56 -14.845 34.232 7.165 443 HA THR 56 HA THR 56 -12.956 35.105 5.020 444 HB THR 56 HB THR 56 -12.747 35.876 7.963 445 HG1 THR 56 HG1 THR 56 -13.008 38.014 7.082 446 HG21 THR 56 1HG2 THR 56 -10.772 37.161 7.222 447 HG22 THR 56 2HG2 THR 56 -10.565 35.423 6.896 448 HG23 THR 56 3HG2 THR 56 -10.984 36.533 5.570 449 H ILE 57 H ILE 57 -11.341 33.797 4.650 450 HA ILE 57 HA ILE 57 -10.884 31.571 6.626 451 HB ILE 57 HB ILE 57 -10.590 31.579 3.585 452 HG12 ILE 57 1HG1 ILE 57 -12.474 30.033 5.344 453 HG13 ILE 57 2HG1 ILE 57 -12.892 31.490 4.414 454 HG21 ILE 57 1HG2 ILE 57 -10.009 29.192 3.855 455 HG22 ILE 57 2HG2 ILE 57 -8.840 30.234 4.697 456 HG23 ILE 57 3HG2 ILE 57 -10.091 29.372 5.623 457 HD11 ILE 57 3HD1 ILE 57 -11.934 28.851 3.252 458 HD12 ILE 57 1HD1 ILE 57 -13.609 29.447 3.239 459 HD13 ILE 57 2HD1 ILE 57 -12.350 30.307 2.320 460 H GLN 58 H GLN 58 -9.079 31.504 7.623 461 HA GLN 58 HA GLN 58 -6.686 32.716 6.281 462 HB2 GLN 58 1HB GLN 58 -7.198 32.074 9.189 463 HB3 GLN 58 2HB GLN 58 -5.689 32.737 8.519 464 HG2 GLN 58 1HG GLN 58 -8.383 34.359 8.611 465 HG3 GLN 58 2HG GLN 58 -6.907 34.266 9.598 466 HE21 GLN 58 2HE2 GLN 58 -8.433 35.938 7.176 467 HE22 GLN 58 1HE2 GLN 58 -7.058 36.657 6.407 468 H ARG 59 H ARG 59 -4.808 31.615 6.071 469 HA ARG 59 HA ARG 59 -5.072 28.648 6.457 470 HB2 ARG 59 1HB ARG 59 -4.072 30.145 4.081 471 HB3 ARG 59 2HB ARG 59 -3.705 28.434 4.406 472 HG2 ARG 59 1HG ARG 59 -6.097 27.902 4.361 473 HG3 ARG 59 2HG ARG 59 -6.479 29.615 4.063 474 HD2 ARG 59 1HD ARG 59 -5.267 29.485 1.951 475 HD3 ARG 59 2HD ARG 59 -4.981 27.754 2.248 476 HE ARG 59 HE ARG 59 -7.559 28.873 1.284 477 HH11 ARG 59 1HH1 ARG 59 -5.986 26.138 2.771 478 HH12 ARG 59 2HH1 ARG 59 -7.325 25.107 2.303 479 HH21 ARG 59 1HH2 ARG 59 -9.094 27.703 0.734 480 HH22 ARG 59 2HH2 ARG 59 -9.097 25.998 1.141 481 H ASP 60 H ASP 60 -3.852 28.353 8.217 482 HA ASP 60 HA ASP 60 -1.113 29.393 8.359 483 HB2 ASP 60 1HB ASP 60 -2.534 28.803 10.442 484 HB3 ASP 60 2HB ASP 60 -2.408 27.155 9.776 485 H LEU 61 H LEU 61 0.634 28.631 7.470 486 HA LEU 61 HA LEU 61 0.359 26.528 5.508 487 HB2 LEU 61 1HB LEU 61 2.644 27.964 6.690 488 HB3 LEU 61 2HB LEU 61 2.911 26.907 5.285 489 HG LEU 61 HG LEU 61 1.219 29.435 5.367 490 HD11 LEU 61 1HD1 LEU 61 2.930 30.302 3.749 491 HD12 LEU 61 2HD1 LEU 61 3.677 29.854 5.301 492 HD13 LEU 61 3HD1 LEU 61 3.823 28.771 3.895 493 HD21 LEU 61 3HD2 LEU 61 0.212 27.769 3.923 494 HD22 LEU 61 1HD2 LEU 61 0.908 29.081 2.942 495 HD23 LEU 61 2HD2 LEU 61 1.760 27.522 3.078 496 H ASP 62 H ASP 62 0.964 26.447 8.840 497 HA ASP 62 HA ASP 62 2.619 24.093 8.973 498 HB2 ASP 62 1HB ASP 62 0.601 25.270 10.981 499 HB3 ASP 62 2HB ASP 62 1.594 23.798 11.128 500 H GLY 63 H GLY 63 -0.688 24.572 8.133 501 HA2 GLY 63 1HA GLY 63 -1.634 22.584 6.915 502 HA3 GLY 63 2HA GLY 63 -1.116 21.613 8.313 503 H THR 64 H THR 64 -2.291 24.812 8.919 504 HA THR 64 HA THR 64 -4.917 23.671 9.827 505 HB THR 64 HB THR 64 -3.332 25.925 11.132 506 HG1 THR 64 HG1 THR 64 -3.069 24.346 12.819 507 HG21 THR 64 1HG2 THR 64 -5.030 25.723 12.915 508 HG22 THR 64 2HG2 THR 64 -5.783 26.139 11.356 509 HG23 THR 64 3HG2 THR 64 -5.873 24.472 11.971 510 H CYS 65 H CYS 65 -6.740 24.712 9.383 511 HA CYS 65 HA CYS 65 -6.560 27.403 7.994 512 HB2 CYS 65 1HB CYS 65 -6.709 25.345 6.502 513 HB3 CYS 65 2HB CYS 65 -8.285 25.005 7.259 514 HG CYS 65 HG CYS 65 -7.583 27.897 5.969 515 H SER 66 H SER 66 -8.040 28.843 8.680 516 HA SER 66 HA SER 66 -10.065 27.929 10.746 517 HB2 SER 66 1HB SER 66 -8.314 29.039 11.774 518 HB3 SER 66 2HB SER 66 -8.472 30.417 10.662 519 HG SER 66 HG SER 66 -9.563 30.750 12.648 520 H LEU 67 H LEU 67 -12.119 28.308 10.231 521 HA LEU 67 HA LEU 67 -12.725 30.406 8.177 522 HB2 LEU 67 1HB LEU 67 -13.388 28.330 7.541 523 HB3 LEU 67 2HB LEU 67 -14.259 27.896 9.030 524 HG LEU 67 HG LEU 67 -15.863 29.772 8.552 525 HD11 LEU 67 1HD1 LEU 67 -15.918 30.660 6.207 526 HD12 LEU 67 2HD1 LEU 67 -14.390 31.074 7.019 527 HD13 LEU 67 3HD1 LEU 67 -14.440 29.741 5.840 528 HD21 LEU 67 3HD2 LEU 67 -16.442 27.472 8.049 529 HD22 LEU 67 1HD2 LEU 67 -17.114 28.554 6.805 530 HD23 LEU 67 2HD2 LEU 67 -15.657 27.591 6.456 531 H HIS 68 H HIS 68 -13.507 32.239 8.808 532 HA HIS 68 HA HIS 68 -14.899 32.336 11.464 533 HB2 HIS 68 1HB HIS 68 -12.905 33.721 11.509 534 HB3 HIS 68 2HB HIS 68 -13.328 34.468 9.950 535 HD2 HIS 68 HD2 HIS 68 -14.657 36.925 10.255 536 HE1 HIS 68 HE1 HIS 68 -15.884 36.235 14.264 537 HE2 HIS 68 HE2 HIS 68 -15.801 37.918 12.246 538 H THR 69 H THR 69 -16.950 32.790 11.563 539 HA THR 69 HA THR 69 -18.259 34.005 9.161 540 HB THR 69 HB THR 69 -19.507 32.636 11.578 541 HG1 THR 69 HG1 THR 69 -19.945 30.986 9.997 542 HG21 THR 69 1HG2 THR 69 -21.579 32.723 10.237 543 HG22 THR 69 2HG2 THR 69 -20.955 34.359 10.559 544 HG23 THR 69 3HG2 THR 69 -20.716 33.613 8.961 545 H THR 70 H THR 70 -18.928 35.994 9.128 546 HA THR 70 HA THR 70 -18.267 37.747 11.349 547 HB THR 70 HB THR 70 -19.865 38.282 8.812 548 HG1 THR 70 HG1 THR 70 -17.838 39.221 8.164 549 HG21 THR 70 1HG2 THR 70 -19.390 40.658 9.293 550 HG22 THR 70 2HG2 THR 70 -20.349 39.920 10.599 551 HG23 THR 70 3HG2 THR 70 -18.604 40.192 10.819 552 H ALA 71 H ALA 71 -21.328 36.535 9.996 553 HA ALA 71 HA ALA 71 -22.617 37.158 12.584 554 HB1 ALA 71 3HB ALA 71 -23.653 38.195 9.923 555 HB2 ALA 71 1HB ALA 71 -24.509 38.290 11.479 556 HB3 ALA 71 2HB ALA 71 -22.986 39.181 11.244 557 H SER 72 H SER 72 -22.807 34.988 12.974 558 HA SER 72 HA SER 72 -23.919 33.104 10.988 559 HB2 SER 72 1HB SER 72 -22.217 32.464 12.495 560 HB3 SER 72 2HB SER 72 -23.321 32.734 13.862 561 HG SER 72 HG SER 72 -23.294 30.555 13.161 562 H THR 73 H THR 73 -26.012 33.972 10.508 563 HA THR 73 HA THR 73 -27.966 34.115 12.737 564 HB THR 73 HB THR 73 -29.549 34.892 11.056 565 HG1 THR 73 HG1 THR 73 -27.456 34.253 9.218 566 HG21 THR 73 1HG2 THR 73 -28.395 36.937 10.291 567 HG22 THR 73 2HG2 THR 73 -27.975 36.560 11.979 568 HG23 THR 73 3HG2 THR 73 -26.824 36.195 10.672 569 H LEU 74 H LEU 74 -30.210 33.190 12.078 570 HA LEU 74 HA LEU 74 -29.975 30.345 12.206 571 HB2 LEU 74 1HB LEU 74 -32.131 32.212 11.513 572 HB3 LEU 74 2HB LEU 74 -32.526 30.484 11.659 573 HG LEU 74 HG LEU 74 -31.457 32.286 13.867 574 HD11 LEU 74 1HD1 LEU 74 -33.705 31.899 14.912 575 HD12 LEU 74 2HD1 LEU 74 -33.858 32.689 13.325 576 HD13 LEU 74 3HD1 LEU 74 -34.186 30.947 13.488 577 HD21 LEU 74 3HD2 LEU 74 -30.601 30.027 14.076 578 HD22 LEU 74 1HD2 LEU 74 -31.806 30.340 15.348 579 HD23 LEU 74 2HD2 LEU 74 -32.246 29.360 13.928 580 H ASP 75 H ASP 75 -30.311 32.537 9.493 581 HA ASP 75 HA ASP 75 -30.844 30.440 7.543 582 HB2 ASP 75 1HB ASP 75 -29.822 33.318 7.188 583 HB3 ASP 75 2HB ASP 75 -30.124 32.063 5.961 584 H ASP 76 H ASP 76 -28.051 31.481 9.232 585 HA ASP 76 HA ASP 76 -26.254 30.199 7.226 586 HB2 ASP 76 1HB ASP 76 -25.507 31.720 9.798 587 HB3 ASP 76 2HB ASP 76 -24.509 30.970 8.528 588 H ASP 77 H ASP 77 -28.155 29.237 9.726 589 HA ASP 77 HA ASP 77 -26.372 27.388 11.070 590 HB2 ASP 77 1HB ASP 77 -28.668 28.162 11.980 591 HB3 ASP 77 2HB ASP 77 -29.279 27.224 10.597 592 H GLY 78 H GLY 78 -25.665 25.459 10.575 593 HA2 GLY 78 1HA GLY 78 -26.831 23.419 9.165 594 HA3 GLY 78 2HA GLY 78 -26.162 24.449 7.877 595 H ASN 79 H ASN 79 -24.834 22.559 7.377 596 HA ASN 79 HA ASN 79 -22.681 22.003 9.385 597 HB2 ASN 79 1HB ASN 79 -23.379 20.147 6.999 598 HB3 ASN 79 2HB ASN 79 -22.223 20.203 8.351 599 HD21 ASN 79 2HD2 ASN 79 -25.268 19.213 7.303 600 HD22 ASN 79 1HD2 ASN 79 -25.917 18.710 8.828 601 H TYR 80 H TYR 80 -21.052 23.334 9.126 602 HA TYR 80 HA TYR 80 -20.143 24.143 6.446 603 HB2 TYR 80 1HB TYR 80 -19.058 24.588 9.229 604 HB3 TYR 80 2HB TYR 80 -18.291 25.201 7.744 605 HD1 TYR 80 HD1 TYR 80 -21.499 25.322 9.664 606 HD2 TYR 80 HD2 TYR 80 -18.947 27.275 6.862 607 HE1 TYR 80 HE1 TYR 80 -22.958 27.322 9.742 608 HE2 TYR 80 HE2 TYR 80 -20.391 29.280 6.928 609 HH TYR 80 HH TYR 80 -23.463 29.334 8.663 610 H THR 81 H THR 81 -19.902 21.886 5.722 611 HA THR 81 HA THR 81 -18.042 20.122 7.041 612 HB THR 81 HB THR 81 -19.033 20.078 4.158 613 HG1 THR 81 HG1 THR 81 -20.534 18.542 5.054 614 HG21 THR 81 1HG2 THR 81 -18.446 17.681 4.254 615 HG22 THR 81 2HG2 THR 81 -17.012 18.703 4.521 616 HG23 THR 81 3HG2 THR 81 -17.805 17.903 5.899 617 H ILE 82 H ILE 82 -15.952 19.801 6.896 618 HA ILE 82 HA ILE 82 -14.434 21.423 4.868 619 HB ILE 82 HB ILE 82 -13.695 22.126 7.029 620 HG12 ILE 82 1HG1 ILE 82 -11.846 19.926 6.143 621 HG13 ILE 82 2HG1 ILE 82 -11.940 21.558 5.439 622 HG21 ILE 82 1HG2 ILE 82 -13.098 20.538 8.826 623 HG22 ILE 82 2HG2 ILE 82 -14.800 20.349 8.344 624 HG23 ILE 82 3HG2 ILE 82 -13.582 19.178 7.786 625 HD11 ILE 82 3HD1 ILE 82 -11.172 20.899 8.304 626 HD12 ILE 82 1HD1 ILE 82 -10.050 21.374 7.008 627 HD13 ILE 82 2HD1 ILE 82 -11.267 22.530 7.601 628 H MET 83 H MET 83 -12.950 20.572 3.586 629 HA MET 83 HA MET 83 -12.904 17.567 3.531 630 HB2 MET 83 1HB MET 83 -14.313 18.456 1.775 631 HB3 MET 83 2HB MET 83 -13.005 19.544 1.252 632 HG2 MET 83 1HG MET 83 -11.655 17.674 0.544 633 HG3 MET 83 2HG MET 83 -12.828 16.518 1.218 634 HE1 MET 83 3HE MET 83 -11.964 18.997 -1.673 635 HE2 MET 83 1HE MET 83 -13.507 19.127 -2.550 636 HE3 MET 83 2HE MET 83 -13.349 19.826 -0.919 637 H ALA 84 H ALA 84 -11.015 16.765 3.939 638 HA ALA 84 HA ALA 84 -8.575 18.321 3.366 639 HB1 ALA 84 3HB ALA 84 -8.949 15.528 4.506 640 HB2 ALA 84 1HB ALA 84 -7.406 16.409 4.391 641 HB3 ALA 84 2HB ALA 84 -8.704 17.019 5.444 642 H ALA 85 H ALA 85 -8.929 18.457 1.068 643 HA ALA 85 HA ALA 85 -8.769 15.920 -0.432 644 HB1 ALA 85 3HB ALA 85 -9.006 18.795 -1.383 645 HB2 ALA 85 1HB ALA 85 -9.086 17.349 -2.416 646 HB3 ALA 85 2HB ALA 85 -10.345 17.640 -1.192 647 H ASN 86 H ASN 86 -6.937 15.014 -0.962 648 HA ASN 86 HA ASN 86 -4.794 16.731 -2.085 649 HB2 ASN 86 1HB ASN 86 -3.026 16.029 -0.512 650 HB3 ASN 86 2HB ASN 86 -4.612 16.302 0.249 651 HD21 ASN 86 2HD2 ASN 86 -2.706 14.894 1.559 652 HD22 ASN 86 1HD2 ASN 86 -3.153 13.222 1.650 653 HA PRO 87 HA PRO 87 -4.028 13.724 -5.048 654 HB2 PRO 87 1HB PRO 87 -1.275 13.098 -3.899 655 HB3 PRO 87 2HB PRO 87 -1.699 13.595 -5.545 656 HG2 PRO 87 1HG PRO 87 -0.573 15.362 -3.901 657 HG3 PRO 87 2HG PRO 87 -1.899 15.880 -4.952 658 HD2 PRO 87 1HD PRO 87 -1.963 15.252 -1.973 659 HD3 PRO 87 2HD PRO 87 -2.806 16.531 -2.857 660 H GLN 88 H GLN 88 -3.519 12.764 -1.754 661 HA GLN 88 HA GLN 88 -3.366 9.899 -2.518 662 HB2 GLN 88 1HB GLN 88 -3.286 11.251 0.187 663 HB3 GLN 88 2HB GLN 88 -2.993 9.526 -0.137 664 HG2 GLN 88 1HG GLN 88 -1.010 11.831 -0.920 665 HG3 GLN 88 2HG GLN 88 -1.094 10.499 0.256 666 HE21 GLN 88 2HE2 GLN 88 0.129 11.459 -2.687 667 HE22 GLN 88 1HE2 GLN 88 0.440 9.905 -3.387 668 H GLY 89 H GLY 89 -5.757 12.142 -1.935 669 HA2 GLY 89 1HA GLY 89 -7.954 10.811 -2.457 670 HA3 GLY 89 2HA GLY 89 -7.626 10.081 -0.869 671 H ARG 90 H ARG 90 -9.863 11.060 -0.571 672 HA ARG 90 HA ARG 90 -9.548 13.828 0.523 673 HB2 ARG 90 1HB ARG 90 -11.931 12.859 -0.984 674 HB3 ARG 90 2HB ARG 90 -11.733 14.423 -0.160 675 HG2 ARG 90 1HG ARG 90 -9.897 14.993 -1.706 676 HG3 ARG 90 2HG ARG 90 -10.133 13.439 -2.544 677 HD2 ARG 90 1HD ARG 90 -12.365 14.128 -3.178 678 HD3 ARG 90 2HD ARG 90 -12.117 15.683 -2.351 679 HE ARG 90 HE ARG 90 -10.103 15.466 -4.416 680 HH11 ARG 90 1HH1 ARG 90 -13.572 15.726 -4.189 681 HH12 ARG 90 2HH1 ARG 90 -13.616 16.563 -5.728 682 HH21 ARG 90 1HH2 ARG 90 -10.137 16.417 -6.183 683 HH22 ARG 90 2HH2 ARG 90 -11.658 16.958 -6.867 684 H VAL 91 H VAL 91 -10.555 14.302 2.391 685 HA VAL 91 HA VAL 91 -12.291 12.185 3.629 686 HB VAL 91 HB VAL 91 -10.038 13.663 5.058 687 HG11 VAL 91 1HG1 VAL 91 -10.639 12.183 6.946 688 HG12 VAL 91 2HG1 VAL 91 -12.018 13.198 6.465 689 HG13 VAL 91 3HG1 VAL 91 -11.961 11.487 5.980 690 HG21 VAL 91 3HG2 VAL 91 -9.122 11.978 3.576 691 HG22 VAL 91 1HG2 VAL 91 -8.966 11.478 5.277 692 HG23 VAL 91 2HG2 VAL 91 -10.228 10.757 4.250 693 H SER 92 H SER 92 -14.088 12.858 4.408 694 HA SER 92 HA SER 92 -14.590 15.827 4.534 695 HB2 SER 92 1HB SER 92 -15.980 14.733 3.083 696 HB3 SER 92 2HB SER 92 -16.408 13.510 4.301 697 HG SER 92 HG SER 92 -17.967 15.179 4.130 698 H CYS 93 H CYS 93 -15.027 16.827 6.412 699 HA CYS 93 HA CYS 93 -15.862 15.177 8.814 700 HB2 CYS 93 1HB CYS 93 -13.455 15.768 8.853 701 HB3 CYS 93 2HB CYS 93 -13.871 17.479 8.594 702 HG CYS 93 HG CYS 93 -15.217 17.749 10.762 703 H THR 94 H THR 94 -17.674 15.928 9.727 704 HA THR 94 HA THR 94 -19.081 18.126 8.438 705 HB THR 94 HB THR 94 -19.794 16.565 10.956 706 HG1 THR 94 HG1 THR 94 -21.130 15.395 9.453 707 HG21 THR 94 1HG2 THR 94 -22.090 17.339 10.476 708 HG22 THR 94 2HG2 THR 94 -20.994 18.715 10.747 709 HG23 THR 94 3HG2 THR 94 -21.484 18.280 9.093 710 H GLY 95 H GLY 95 -19.142 20.174 8.885 711 HA2 GLY 95 1HA GLY 95 -17.958 21.091 11.463 712 HA3 GLY 95 2HA GLY 95 -18.177 22.083 10.004 713 H ARG 96 H ARG 96 -20.223 20.065 12.160 714 HA ARG 96 HA ARG 96 -22.658 21.405 11.621 715 HB2 ARG 96 1HB ARG 96 -22.521 19.260 12.694 716 HB3 ARG 96 2HB ARG 96 -21.860 20.035 14.152 717 HG2 ARG 96 1HG ARG 96 -23.927 21.263 14.485 718 HG3 ARG 96 2HG ARG 96 -24.587 20.623 12.962 719 HD2 ARG 96 1HD ARG 96 -24.530 18.381 13.905 720 HD3 ARG 96 2HD ARG 96 -23.930 19.060 15.438 721 HE ARG 96 HE ARG 96 -26.532 20.233 14.801 722 HH11 ARG 96 1HH1 ARG 96 -25.113 17.246 15.908 723 HH12 ARG 96 2HH1 ARG 96 -26.584 16.865 16.782 724 HH21 ARG 96 1HH2 ARG 96 -28.226 19.807 15.790 725 HH22 ARG 96 2HH2 ARG 96 -28.360 18.323 16.715 726 H LEU 97 H LEU 97 -22.913 23.514 11.674 727 HA LEU 97 HA LEU 97 -22.344 24.844 14.301 728 HB2 LEU 97 1HB LEU 97 -22.140 25.577 11.547 729 HB3 LEU 97 2HB LEU 97 -22.879 26.898 12.483 730 HG LEU 97 HG LEU 97 -20.801 26.451 14.080 731 HD11 LEU 97 1HD1 LEU 97 -18.760 25.900 12.729 732 HD12 LEU 97 2HD1 LEU 97 -19.921 24.552 12.725 733 HD13 LEU 97 3HD1 LEU 97 -19.794 25.621 11.309 734 HD21 LEU 97 3HD2 LEU 97 -21.328 28.573 13.033 735 HD22 LEU 97 1HD2 LEU 97 -19.583 28.249 12.903 736 HD23 LEU 97 2HD2 LEU 97 -20.639 28.016 11.489 737 H MET 98 H MET 98 -24.070 24.678 15.518 738 HA MET 98 HA MET 98 -26.754 25.098 14.275 739 HB2 MET 98 1HB MET 98 -26.316 23.148 15.757 740 HB3 MET 98 2HB MET 98 -26.005 24.290 17.087 741 HG2 MET 98 1HG MET 98 -28.294 25.122 16.939 742 HG3 MET 98 2HG MET 98 -28.615 24.043 15.560 743 HE1 MET 98 3HE MET 98 -28.304 24.425 19.404 744 HE2 MET 98 1HE MET 98 -28.091 22.751 19.972 745 HE3 MET 98 2HE MET 98 -26.787 23.556 19.065 746 H VAL 99 H VAL 99 -27.949 26.824 14.531 747 HA VAL 99 HA VAL 99 -26.844 29.014 16.292 748 HB VAL 99 HB VAL 99 -28.420 29.244 13.698 749 HG11 VAL 99 1HG1 VAL 99 -27.952 31.661 13.936 750 HG12 VAL 99 2HG1 VAL 99 -28.895 31.051 15.317 751 HG13 VAL 99 3HG1 VAL 99 -27.149 31.352 15.493 752 HG21 VAL 99 3HG2 VAL 99 -26.155 28.494 13.274 753 HG22 VAL 99 1HG2 VAL 99 -26.369 30.182 12.756 754 HG23 VAL 99 2HG2 VAL 99 -25.509 29.820 14.271 755 H GLN 100 H GLN 100 -28.057 30.064 17.657 756 HA GLN 100 HA GLN 100 -30.948 29.280 17.774 757 HB2 GLN 100 1HB GLN 100 -29.615 28.110 19.485 758 HB3 GLN 100 2HB GLN 100 -29.034 29.683 20.081 759 HG2 GLN 100 1HG GLN 100 -31.595 30.201 20.754 760 HG3 GLN 100 2HG GLN 100 -31.723 28.632 19.925 761 HE21 GLN 100 2HE2 GLN 100 -32.756 28.993 22.462 762 HE22 GLN 100 1HE2 GLN 100 -31.814 28.093 23.605 763 H ALA 101 H ALA 101 -32.372 30.835 17.901 764 HA ALA 101 HA ALA 101 -31.558 33.608 17.894 765 HB1 ALA 101 3HB ALA 101 -34.289 32.356 18.341 766 HB2 ALA 101 1HB ALA 101 -33.974 34.076 18.014 767 HB3 ALA 101 2HB ALA 101 -33.606 32.852 16.774 768 H VAL 102 H VAL 102 -31.324 35.049 19.455 769 HA VAL 102 HA VAL 102 -32.069 34.255 22.259 770 HB VAL 102 HB VAL 102 -29.410 35.436 21.355 771 HG11 VAL 102 1HG1 VAL 102 -28.806 35.259 23.746 772 HG12 VAL 102 2HG1 VAL 102 -30.201 36.340 23.515 773 HG13 VAL 102 3HG1 VAL 102 -30.449 34.684 24.118 774 HG21 VAL 102 3HG2 VAL 102 -29.542 33.068 20.856 775 HG22 VAL 102 1HG2 VAL 102 -28.426 33.369 22.208 776 HG23 VAL 102 2HG2 VAL 102 -30.054 32.725 22.526 777 H ASN 103 H ASN 103 -33.224 35.639 23.264 778 HA ASN 103 HA ASN 103 -33.984 38.099 21.945 779 HB2 ASN 103 1HB ASN 103 -34.748 37.192 24.818 780 HB3 ASN 103 2HB ASN 103 -35.045 38.634 23.817 781 HD21 ASN 103 2HD2 ASN 103 -36.835 36.536 24.932 782 HD22 ASN 103 1HD2 ASN 103 -37.732 35.943 23.574 783 H GLN 104 H GLN 104 -31.543 37.286 24.279 784 HA GLN 104 HA GLN 104 -31.148 40.105 25.067 785 HB2 GLN 104 1HB GLN 104 -29.549 37.607 25.656 786 HB3 GLN 104 2HB GLN 104 -29.280 39.213 26.372 787 HG2 GLN 104 1HG GLN 104 -31.755 37.393 27.025 788 HG3 GLN 104 2HG GLN 104 -30.254 37.911 27.827 789 HE21 GLN 104 2HE2 GLN 104 -33.518 38.472 27.558 790 HE22 GLN 104 1HE2 GLN 104 -33.575 40.109 28.124 791 H ARG 105 H ARG 105 -30.357 38.267 22.418 792 HA ARG 105 HA ARG 105 -27.757 39.649 21.967 793 HB2 ARG 105 1HB ARG 105 -27.849 37.303 21.500 794 HB3 ARG 105 2HB ARG 105 -29.156 37.579 20.326 795 HG2 ARG 105 1HG ARG 105 -27.146 37.332 19.072 796 HG3 ARG 105 2HG ARG 105 -27.564 39.063 19.051 797 HD2 ARG 105 1HD ARG 105 -25.937 39.423 20.851 798 HD3 ARG 105 2HD ARG 105 -25.466 37.713 20.716 799 HE ARG 105 HE ARG 105 -24.981 38.812 18.134 800 HH11 ARG 105 1HH1 ARG 105 -23.920 39.583 21.365 801 HH12 ARG 105 2HH1 ARG 105 -22.397 40.173 20.731 802 HH21 ARG 105 1HH2 ARG 105 -23.244 39.492 17.392 803 HH22 ARG 105 2HH2 ARG 105 -22.010 40.123 18.465 804 H GLY 106 H GLY 106 -27.594 41.480 20.960 805 HA2 GLY 106 1HA GLY 106 -29.962 42.850 20.080 806 HA3 GLY 106 2HA GLY 106 -28.285 43.427 19.920 807 H ARG 107 H ARG 107 -27.580 40.872 18.477 808 HA ARG 107 HA ARG 107 -28.387 41.857 15.791 809 HB2 ARG 107 1HB ARG 107 -26.272 39.921 16.626 810 HB3 ARG 107 2HB ARG 107 -26.683 40.347 14.948 811 HG2 ARG 107 1HG ARG 107 -26.123 42.720 15.464 812 HG3 ARG 107 2HG ARG 107 -25.596 42.206 17.085 813 HD2 ARG 107 1HD ARG 107 -23.899 40.796 16.064 814 HD3 ARG 107 2HD ARG 107 -24.408 41.370 14.459 815 HE ARG 107 HE ARG 107 -23.589 43.707 15.899 816 HH11 ARG 107 1HH1 ARG 107 -22.090 40.713 14.925 817 HH12 ARG 107 2HH1 ARG 107 -20.539 41.521 14.803 818 HH21 ARG 107 1HH2 ARG 107 -21.818 44.645 15.773 819 HH22 ARG 107 2HH2 ARG 107 -20.383 43.763 15.287 820 H SER 108 H SER 108 -29.624 39.763 17.980 821 HA SER 108 HA SER 108 -30.327 37.542 16.110 822 HB2 SER 108 1HB SER 108 -29.738 36.944 18.258 823 HB3 SER 108 2HB SER 108 -30.964 38.026 18.956 824 HG SER 108 HG SER 108 -32.498 36.750 17.659 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -4.955 8.633 -8.479 2 H2 GLY 1 2H GLY 1 -5.404 9.119 -7.132 3 H3 GLY 1 3H GLY 1 -3.942 8.939 -7.417 4 HA2 GLY 1 1HA GLY 1 -5.653 6.975 -6.285 5 HA3 GLY 1 2HA GLY 1 -5.120 6.398 -7.881 6 H GLY 2 H GLY 2 -4.508 5.177 -5.360 7 HA2 GLY 2 1HA GLY 2 -2.599 4.186 -4.420 8 HA3 GLY 2 2HA GLY 2 -1.572 5.259 -5.403 9 H SER 3 H SER 3 -0.260 5.665 -3.563 10 HA SER 3 HA SER 3 -1.399 7.846 -1.798 11 HB2 SER 3 1HB SER 3 -1.492 5.888 -0.523 12 HB3 SER 3 2HB SER 3 0.227 5.564 -0.842 13 HG SER 3 HG SER 3 -0.279 6.684 1.169 14 H ASN 4 H ASN 4 1.718 6.132 -1.969 15 HA ASN 4 HA ASN 4 3.884 6.990 -2.045 16 HB2 ASN 4 1HB ASN 4 2.808 8.807 -4.332 17 HB3 ASN 4 2HB ASN 4 4.391 8.425 -3.611 18 HD21 ASN 4 2HD2 ASN 4 3.026 7.961 -6.298 19 HD22 ASN 4 1HD2 ASN 4 3.334 6.289 -6.632 20 H ALA 5 H ALA 5 2.078 8.139 -0.087 21 HA ALA 5 HA ALA 5 3.585 10.405 0.769 22 HB1 ALA 5 3HB ALA 5 0.926 11.064 -0.546 23 HB2 ALA 5 1HB ALA 5 1.924 12.190 0.401 24 HB3 ALA 5 2HB ALA 5 2.538 11.538 -1.138 25 H THR 6 H THR 6 2.400 11.647 2.535 26 HA THR 6 HA THR 6 1.141 9.759 4.360 27 HB THR 6 HB THR 6 1.380 12.792 4.520 28 HG1 THR 6 HG1 THR 6 2.960 10.699 5.663 29 HG21 THR 6 1HG2 THR 6 0.967 12.451 6.930 30 HG22 THR 6 2HG2 THR 6 -0.411 11.881 5.959 31 HG23 THR 6 3HG2 THR 6 0.739 10.710 6.646 32 H ALA 7 H ALA 7 -0.880 9.245 4.644 33 HA ALA 7 HA ALA 7 -2.792 10.050 2.666 34 HB1 ALA 7 3HB ALA 7 -3.202 8.566 5.284 35 HB2 ALA 7 1HB ALA 7 -4.380 8.677 3.957 36 HB3 ALA 7 2HB ALA 7 -2.835 7.829 3.707 37 HA PRO 8 HA PRO 8 -4.561 13.640 4.505 38 HB2 PRO 8 1HB PRO 8 -7.045 13.553 3.275 39 HB3 PRO 8 2HB PRO 8 -5.594 14.022 2.378 40 HG2 PRO 8 1HG PRO 8 -6.980 11.324 2.485 41 HG3 PRO 8 2HG PRO 8 -6.355 12.197 1.080 42 HD2 PRO 8 1HD PRO 8 -4.920 10.175 2.225 43 HD3 PRO 8 2HD PRO 8 -4.102 11.579 1.530 44 H PHE 9 H PHE 9 -5.104 13.804 6.484 45 HA PHE 9 HA PHE 9 -7.600 12.668 7.475 46 HB2 PHE 9 1HB PHE 9 -6.180 10.657 7.672 47 HB3 PHE 9 2HB PHE 9 -4.973 11.590 8.584 48 HD1 PHE 9 HD1 PHE 9 -8.499 10.425 8.660 49 HD2 PHE 9 HD2 PHE 9 -5.112 11.792 10.877 50 HE1 PHE 9 HE1 PHE 9 -9.648 9.847 10.771 51 HE2 PHE 9 HE2 PHE 9 -6.258 11.213 12.990 52 HZ PHE 9 HZ PHE 9 -8.528 10.241 12.936 53 H PHE 10 H PHE 10 -8.404 13.765 9.124 54 HA PHE 10 HA PHE 10 -6.941 16.179 9.961 55 HB2 PHE 10 1HB PHE 10 -9.729 15.086 10.492 56 HB3 PHE 10 2HB PHE 10 -9.099 16.531 11.317 57 HD1 PHE 10 HD2 PHE 10 -8.633 18.567 10.076 58 HD2 PHE 10 HD1 PHE 10 -10.374 15.139 8.212 59 HE1 PHE 10 HE2 PHE 10 -9.353 19.971 8.172 60 HE2 PHE 10 HE1 PHE 10 -11.094 16.539 6.305 61 HZ PHE 10 HZ PHE 10 -10.583 18.955 6.285 62 H GLU 11 H GLU 11 -5.421 16.059 11.417 63 HA GLU 11 HA GLU 11 -5.603 14.254 13.726 64 HB2 GLU 11 1HB GLU 11 -3.608 15.367 14.487 65 HB3 GLU 11 2HB GLU 11 -3.449 14.873 12.784 66 HG2 GLU 11 1HG GLU 11 -3.940 17.307 12.121 67 HG3 GLU 11 2HG GLU 11 -4.009 17.599 13.873 68 H MET 12 H MET 12 -6.797 17.384 12.917 69 HA MET 12 HA MET 12 -8.117 17.332 15.595 70 HB2 MET 12 1HB MET 12 -6.344 19.017 15.666 71 HB3 MET 12 2HB MET 12 -7.024 19.784 14.211 72 HG2 MET 12 1HG MET 12 -9.079 20.308 15.432 73 HG3 MET 12 2HG MET 12 -8.432 19.510 16.884 74 HE1 MET 12 3HE MET 12 -8.557 22.691 14.701 75 HE2 MET 12 1HE MET 12 -7.073 23.570 15.143 76 HE3 MET 12 2HE MET 12 -6.967 22.064 14.198 77 H LYS 13 H LYS 13 -10.190 17.114 15.367 78 HA LYS 13 HA LYS 13 -11.353 17.777 12.694 79 HB2 LYS 13 1HB LYS 13 -12.317 15.910 14.867 80 HB3 LYS 13 2HB LYS 13 -13.103 16.185 13.294 81 HG2 LYS 13 1HG LYS 13 -11.071 15.298 12.164 82 HG3 LYS 13 2HG LYS 13 -10.374 14.940 13.762 83 HD2 LYS 13 1HD LYS 13 -12.204 13.406 14.255 84 HD3 LYS 13 2HD LYS 13 -12.989 13.811 12.710 85 HE2 LYS 13 1HE LYS 13 -11.037 12.922 11.495 86 HE3 LYS 13 2HE LYS 13 -10.275 12.495 13.044 87 HZ1 LYS 13 3HZ LYS 13 -12.817 11.399 12.025 88 HZ2 LYS 13 1HZ LYS 13 -11.371 10.608 12.042 89 HZ3 LYS 13 2HZ LYS 13 -12.112 11.003 13.462 90 H LEU 14 H LEU 14 -13.649 18.377 12.652 91 HA LEU 14 HA LEU 14 -14.040 20.651 14.471 92 HB2 LEU 14 1HB LEU 14 -15.587 19.457 12.268 93 HB3 LEU 14 2HB LEU 14 -16.133 20.979 13.006 94 HG LEU 14 HG LEU 14 -13.541 20.534 11.477 95 HD11 LEU 14 1HD1 LEU 14 -14.558 22.121 9.820 96 HD12 LEU 14 2HD1 LEU 14 -15.559 20.664 10.019 97 HD13 LEU 14 3HD1 LEU 14 -16.034 22.185 10.811 98 HD21 LEU 14 3HD2 LEU 14 -13.228 22.109 13.293 99 HD22 LEU 14 1HD2 LEU 14 -13.200 22.968 11.735 100 HD23 LEU 14 2HD2 LEU 14 -14.649 23.044 12.767 101 H LYS 15 H LYS 15 -15.779 21.028 15.809 102 HA LYS 15 HA LYS 15 -17.193 18.534 16.699 103 HB2 LYS 15 1HB LYS 15 -16.406 20.982 18.291 104 HB3 LYS 15 2HB LYS 15 -17.336 19.592 18.901 105 HG2 LYS 15 1HG LYS 15 -15.385 18.125 18.453 106 HG3 LYS 15 2HG LYS 15 -14.459 19.550 17.927 107 HD2 LYS 15 1HD LYS 15 -14.730 20.556 20.156 108 HD3 LYS 15 2HD LYS 15 -15.668 19.139 20.684 109 HE2 LYS 15 1HE LYS 15 -13.719 17.695 20.269 110 HE3 LYS 15 2HE LYS 15 -12.780 19.114 19.749 111 HZ1 LYS 15 3HZ LYS 15 -13.917 18.702 22.441 112 HZ2 LYS 15 1HZ LYS 15 -12.326 18.536 22.036 113 HZ3 LYS 15 2HZ LYS 15 -13.047 20.018 21.960 114 H HIS 16 H HIS 16 -19.180 19.224 18.111 115 HA HIS 16 HA HIS 16 -20.989 20.709 16.364 116 HB2 HIS 16 1HB HIS 16 -21.750 18.756 17.746 117 HB3 HIS 16 2HB HIS 16 -21.433 19.710 19.214 118 HD1 HIS 16 HD1 HIS 16 -24.064 19.109 19.537 119 HD2 HIS 16 HD2 HIS 16 -23.160 22.035 16.642 120 HE1 HIS 16 HE1 HIS 16 -26.164 20.268 19.072 121 H TYR 17 H TYR 17 -21.050 22.795 16.184 122 HA TYR 17 HA TYR 17 -20.186 24.445 18.533 123 HB2 TYR 17 1HB TYR 17 -20.354 25.199 15.610 124 HB3 TYR 17 2HB TYR 17 -19.700 26.186 16.940 125 HD1 TYR 17 HD2 TYR 17 -17.713 25.076 18.271 126 HD2 TYR 17 HD1 TYR 17 -18.865 23.944 14.325 127 HE1 TYR 17 HE2 TYR 17 -15.470 24.101 17.907 128 HE2 TYR 17 HE1 TYR 17 -16.623 22.962 13.943 129 HH TYR 17 HH TYR 17 -14.062 23.096 16.419 130 H LYS 18 H LYS 18 -21.319 26.211 19.202 131 HA LYS 18 HA LYS 18 -24.012 26.626 17.967 132 HB2 LYS 18 1HB LYS 18 -23.387 26.296 20.905 133 HB3 LYS 18 2HB LYS 18 -24.922 26.918 20.256 134 HG2 LYS 18 1HG LYS 18 -25.257 24.756 19.073 135 HG3 LYS 18 2HG LYS 18 -23.768 24.141 19.829 136 HD2 LYS 18 1HD LYS 18 -24.764 24.514 22.063 137 HD3 LYS 18 2HD LYS 18 -26.262 25.080 21.286 138 HE2 LYS 18 1HE LYS 18 -26.535 22.893 20.205 139 HE3 LYS 18 2HE LYS 18 -25.033 22.324 20.969 140 HZ1 LYS 18 3HZ LYS 18 -27.473 23.164 22.399 141 HZ2 LYS 18 1HZ LYS 18 -26.976 21.606 22.184 142 HZ3 LYS 18 2HZ LYS 18 -26.080 22.637 23.109 143 H ILE 19 H ILE 19 -24.736 28.650 17.867 144 HA ILE 19 HA ILE 19 -23.352 30.821 19.329 145 HB ILE 19 HB ILE 19 -21.968 30.439 17.223 146 HG12 ILE 19 1HG1 ILE 19 -22.005 32.785 16.517 147 HG13 ILE 19 2HG1 ILE 19 -23.488 33.021 17.470 148 HG21 ILE 19 1HG2 ILE 19 -22.979 31.129 15.076 149 HG22 ILE 19 2HG2 ILE 19 -23.818 29.713 15.752 150 HG23 ILE 19 3HG2 ILE 19 -24.553 31.329 15.880 151 HD11 ILE 19 3HD1 ILE 19 -20.779 32.193 18.570 152 HD12 ILE 19 1HD1 ILE 19 -21.505 33.811 18.700 153 HD13 ILE 19 2HD1 ILE 19 -22.262 32.427 19.524 154 H PHE 20 H PHE 20 -24.402 32.738 19.414 155 HA PHE 20 HA PHE 20 -27.300 32.526 19.028 156 HB2 PHE 20 1HB PHE 20 -25.449 34.665 20.133 157 HB3 PHE 20 2HB PHE 20 -27.185 34.952 19.885 158 HD1 PHE 20 HD2 PHE 20 -28.834 33.499 21.082 159 HD2 PHE 20 HD1 PHE 20 -24.664 33.543 22.006 160 HE1 PHE 20 HE2 PHE 20 -29.317 32.505 23.294 161 HE2 PHE 20 HE1 PHE 20 -25.141 32.547 24.218 162 HZ PHE 20 HZ PHE 20 -27.468 32.028 24.862 163 H GLU 21 H GLU 21 -28.616 33.739 17.741 164 HA GLU 21 HA GLU 21 -27.735 34.062 15.062 165 HB2 GLU 21 1HB GLU 21 -30.056 33.754 15.620 166 HB3 GLU 21 2HB GLU 21 -30.073 35.281 16.536 167 HG2 GLU 21 1HG GLU 21 -29.743 36.558 14.385 168 HG3 GLU 21 2HG GLU 21 -29.593 34.968 13.602 169 H GLY 22 H GLY 22 -26.395 35.412 14.189 170 HA2 GLY 22 1HA GLY 22 -26.026 37.629 13.357 171 HA3 GLY 22 2HA GLY 22 -26.727 38.293 14.852 172 H MET 23 H MET 23 -24.985 36.013 16.167 173 HA MET 23 HA MET 23 -22.761 37.866 16.765 174 HB2 MET 23 1HB MET 23 -23.500 35.158 17.869 175 HB3 MET 23 2HB MET 23 -22.184 36.198 18.464 176 HG2 MET 23 1HG MET 23 -25.134 36.905 18.482 177 HG3 MET 23 2HG MET 23 -24.214 36.305 19.882 178 HE1 MET 23 3HE MET 23 -21.498 37.704 19.892 179 HE2 MET 23 1HE MET 23 -21.838 39.220 20.761 180 HE3 MET 23 2HE MET 23 -22.587 37.697 21.301 181 HA PRO 24 HA PRO 24 -19.771 35.777 14.314 182 HB2 PRO 24 1HB PRO 24 -17.472 36.555 15.588 183 HB3 PRO 24 2HB PRO 24 -18.446 37.753 14.723 184 HG2 PRO 24 1HG PRO 24 -18.366 37.148 17.698 185 HG3 PRO 24 2HG PRO 24 -18.359 38.718 16.882 186 HD2 PRO 24 1HD PRO 24 -20.664 37.627 17.938 187 HD3 PRO 24 2HD PRO 24 -20.694 38.693 16.528 188 H VAL 25 H VAL 25 -18.478 34.021 14.218 189 HA VAL 25 HA VAL 25 -17.760 32.565 16.693 190 HB VAL 25 HB VAL 25 -20.084 31.768 16.274 191 HG11 VAL 25 1HG1 VAL 25 -20.559 30.489 14.213 192 HG12 VAL 25 2HG1 VAL 25 -20.159 32.181 13.838 193 HG13 VAL 25 3HG1 VAL 25 -18.946 30.903 13.584 194 HG21 VAL 25 3HG2 VAL 25 -18.454 30.263 17.248 195 HG22 VAL 25 1HG2 VAL 25 -19.573 29.380 16.185 196 HG23 VAL 25 2HG2 VAL 25 -17.925 29.755 15.626 197 H THR 26 H THR 26 -15.991 31.454 16.544 198 HA THR 26 HA THR 26 -14.857 31.069 13.791 199 HB THR 26 HB THR 26 -13.340 31.722 16.352 200 HG1 THR 26 HG1 THR 26 -12.934 33.712 15.239 201 HG21 THR 26 1HG2 THR 26 -11.391 31.902 14.846 202 HG22 THR 26 2HG2 THR 26 -12.092 30.266 14.794 203 HG23 THR 26 3HG2 THR 26 -12.409 31.411 13.470 204 H PHE 27 H PHE 27 -14.153 29.153 13.230 205 HA PHE 27 HA PHE 27 -13.269 27.235 15.294 206 HB2 PHE 27 1HB PHE 27 -14.757 25.425 14.294 207 HB3 PHE 27 2HB PHE 27 -15.614 26.648 15.259 208 HD1 PHE 27 HD2 PHE 27 -17.002 28.332 14.178 209 HD2 PHE 27 HD1 PHE 27 -15.135 25.187 11.971 210 HE1 PHE 27 HE2 PHE 27 -18.535 28.754 12.284 211 HE2 PHE 27 HE1 PHE 27 -16.664 25.607 10.074 212 HZ PHE 27 HZ PHE 27 -18.363 27.392 10.231 213 H THR 28 H THR 28 -12.197 25.361 14.411 214 HA THR 28 HA THR 28 -11.014 25.851 11.736 215 HB THR 28 HB THR 28 -9.799 27.431 13.240 216 HG1 THR 28 HG1 THR 28 -7.716 26.595 12.681 217 HG21 THR 28 1HG2 THR 28 -8.345 26.508 15.011 218 HG22 THR 28 2HG2 THR 28 -10.059 26.172 15.350 219 HG23 THR 28 3HG2 THR 28 -9.010 24.885 14.711 220 H CYS 29 H CYS 29 -9.498 24.261 11.074 221 HA CYS 29 HA CYS 29 -9.566 21.673 12.634 222 HB2 CYS 29 1HB CYS 29 -11.448 22.256 10.812 223 HB3 CYS 29 2HB CYS 29 -10.160 21.737 9.698 224 HG CYS 29 HG CYS 29 -11.513 20.135 12.201 225 H ARG 30 H ARG 30 -7.955 20.185 11.956 226 HA ARG 30 HA ARG 30 -5.694 21.427 10.441 227 HB2 ARG 30 1HB ARG 30 -5.371 21.961 12.754 228 HB3 ARG 30 2HB ARG 30 -5.457 20.232 13.165 229 HG2 ARG 30 1HG ARG 30 -3.450 19.798 11.841 230 HG3 ARG 30 2HG ARG 30 -3.375 21.512 11.367 231 HD2 ARG 30 1HD ARG 30 -2.876 22.173 13.573 232 HD3 ARG 30 2HD ARG 30 -3.187 20.536 14.195 233 HE ARG 30 HE ARG 30 -0.931 19.900 13.323 234 HH11 ARG 30 1HH1 ARG 30 -1.725 23.205 12.543 235 HH12 ARG 30 2HH1 ARG 30 -0.040 23.532 12.189 236 HH21 ARG 30 1HH2 ARG 30 1.002 20.258 12.912 237 HH22 ARG 30 2HH2 ARG 30 1.516 21.853 12.399 238 H VAL 31 H VAL 31 -4.647 20.143 9.126 239 HA VAL 31 HA VAL 31 -5.405 17.226 9.172 240 HB VAL 31 HB VAL 31 -4.519 18.995 6.851 241 HG11 VAL 31 1HG1 VAL 31 -5.027 17.011 5.466 242 HG12 VAL 31 2HG1 VAL 31 -3.741 16.658 6.644 243 HG13 VAL 31 3HG1 VAL 31 -5.399 16.080 6.937 244 HG21 VAL 31 3HG2 VAL 31 -6.779 19.514 7.554 245 HG22 VAL 31 1HG2 VAL 31 -6.782 18.662 5.993 246 HG23 VAL 31 2HG2 VAL 31 -7.217 17.790 7.482 247 H ALA 32 H ALA 32 -3.990 15.712 9.381 248 HA ALA 32 HA ALA 32 -1.124 16.482 9.468 249 HB1 ALA 32 3HB ALA 32 -2.515 13.869 10.160 250 HB2 ALA 32 1HB ALA 32 -0.782 14.218 10.379 251 HB3 ALA 32 2HB ALA 32 -1.995 15.121 11.316 252 H GLY 33 H GLY 33 -1.467 16.924 7.060 253 HA2 GLY 33 1HA GLY 33 -1.110 14.390 5.509 254 HA3 GLY 33 2HA GLY 33 -1.675 15.939 4.838 255 H ASN 34 H ASN 34 0.426 14.468 3.700 256 HA ASN 34 HA ASN 34 2.393 16.572 3.508 257 HB2 ASN 34 3HB ASN 34 3.105 15.437 5.706 258 HB3 ASN 34 2HB ASN 34 3.299 13.919 4.860 259 HD21 ASN 34 2HD2 ASN 34 5.335 14.982 6.321 260 HD22 ASN 34 1HD2 ASN 34 6.645 15.445 5.111 261 HA PRO 35 HA PRO 35 2.777 17.512 2.167 262 HB2 PRO 35 1HB PRO 35 1.825 18.424 -0.263 263 HB3 PRO 35 2HB PRO 35 3.522 17.962 -0.070 264 HG2 PRO 35 1HG PRO 35 1.227 16.349 -1.230 265 HG3 PRO 35 2HG PRO 35 2.869 16.551 -1.854 266 HD2 PRO 35 1HD PRO 35 2.157 14.319 -0.437 267 HD3 PRO 35 2HD PRO 35 3.789 14.988 -0.320 268 H LYS 36 H LYS 36 1.131 19.220 2.106 269 HA LYS 36 HA LYS 36 -1.290 18.175 3.299 270 HB2 LYS 36 1HB LYS 36 -0.646 20.960 2.323 271 HB3 LYS 36 2HB LYS 36 -1.996 20.499 3.389 272 HG2 LYS 36 1HG LYS 36 0.963 20.267 4.046 273 HG3 LYS 36 2HG LYS 36 -0.147 21.516 4.660 274 HD2 LYS 36 1HD LYS 36 -1.507 19.782 5.751 275 HD3 LYS 36 2HD LYS 36 -0.410 18.526 5.128 276 HE2 LYS 36 1HE LYS 36 1.461 19.740 6.346 277 HE3 LYS 36 2HE LYS 36 0.196 20.707 7.139 278 HZ1 LYS 36 3HZ LYS 36 0.446 17.771 7.275 279 HZ2 LYS 36 1HZ LYS 36 0.847 18.823 8.480 280 HZ3 LYS 36 2HZ LYS 36 -0.727 18.667 8.011 281 HA PRO 37 HA PRO 37 -3.733 17.582 -0.321 282 HB2 PRO 37 1HB PRO 37 -6.022 17.798 1.635 283 HB3 PRO 37 2HB PRO 37 -5.601 16.443 0.578 284 HG2 PRO 37 1HG PRO 37 -5.182 16.255 3.215 285 HG3 PRO 37 2HG PRO 37 -3.997 15.585 2.085 286 HD2 PRO 37 1HD PRO 37 -3.886 18.236 3.603 287 HD3 PRO 37 2HD PRO 37 -2.606 17.035 3.387 288 H LYS 38 H LYS 38 -5.801 18.536 -1.218 289 HA LYS 38 HA LYS 38 -5.541 21.477 -1.091 290 HB2 LYS 38 1HB LYS 38 -7.337 19.667 -2.711 291 HB3 LYS 38 2HB LYS 38 -7.247 21.438 -2.863 292 HG2 LYS 38 1HG LYS 38 -4.900 21.270 -3.565 293 HG3 LYS 38 2HG LYS 38 -4.968 19.499 -3.391 294 HD2 LYS 38 1HD LYS 38 -6.693 19.379 -5.130 295 HD3 LYS 38 2HD LYS 38 -6.673 21.152 -5.287 296 HE2 LYS 38 1HE LYS 38 -4.311 21.061 -5.974 297 HE3 LYS 38 2HE LYS 38 -4.341 19.289 -5.830 298 HZ1 LYS 38 3HZ LYS 38 -5.980 20.887 -7.691 299 HZ2 LYS 38 1HZ LYS 38 -4.650 20.003 -8.103 300 HZ3 LYS 38 2HZ LYS 38 -6.009 19.242 -7.559 301 H ILE 39 H ILE 39 -6.197 21.827 1.064 302 HA ILE 39 HA ILE 39 -8.842 20.859 1.933 303 HB ILE 39 HB ILE 39 -6.890 22.800 3.264 304 HG12 ILE 39 1HG1 ILE 39 -7.303 19.904 3.925 305 HG13 ILE 39 2HG1 ILE 39 -6.069 20.470 2.776 306 HG21 ILE 39 1HG2 ILE 39 -8.159 22.272 5.317 307 HG22 ILE 39 2HG2 ILE 39 -9.213 23.002 4.085 308 HG23 ILE 39 3HG2 ILE 39 -9.265 21.247 4.372 309 HD11 ILE 39 3HD1 ILE 39 -6.275 21.270 5.700 310 HD12 ILE 39 1HD1 ILE 39 -5.104 20.120 5.016 311 HD13 ILE 39 2HD1 ILE 39 -5.042 21.838 4.550 312 H TYR 40 H TYR 40 -10.701 21.795 1.958 313 HA TYR 40 HA TYR 40 -10.888 24.736 1.684 314 HB2 TYR 40 1HB TYR 40 -12.279 24.697 -0.240 315 HB3 TYR 40 2HB TYR 40 -10.765 23.847 -0.633 316 HD1 TYR 40 HD2 TYR 40 -10.771 21.331 -0.729 317 HD2 TYR 40 HD1 TYR 40 -14.377 23.583 -0.409 318 HE1 TYR 40 HE2 TYR 40 -12.056 19.354 -1.467 319 HE2 TYR 40 HE1 TYR 40 -15.682 21.611 -1.148 320 HH TYR 40 HH TYR 40 -15.612 19.439 -1.808 321 H TRP 41 H TRP 41 -13.116 25.512 1.857 322 HA TRP 41 HA TRP 41 -14.668 23.712 3.687 323 HB2 TRP 41 1HB TRP 41 -14.547 26.753 3.527 324 HB3 TRP 41 2HB TRP 41 -15.645 25.834 4.583 325 HD1 TRP 41 HD1 TRP 41 -12.012 26.516 4.024 326 HE1 TRP 41 HE1 TRP 41 -10.684 26.186 6.356 327 HE3 TRP 41 HE3 TRP 41 -15.867 24.736 6.816 328 HZ2 TRP 41 HZ2 TRP 41 -11.347 25.297 8.886 329 HZ3 TRP 41 HZ3 TRP 41 -15.521 24.159 9.139 330 HH2 TRP 41 HH2 TRP 41 -13.326 24.415 10.214 331 H PHE 42 H PHE 42 -16.851 23.454 3.473 332 HA PHE 42 HA PHE 42 -18.309 25.242 1.637 333 HB2 PHE 42 1HB PHE 42 -19.384 23.359 0.419 334 HB3 PHE 42 2HB PHE 42 -17.636 23.439 0.100 335 HD1 PHE 42 HD2 PHE 42 -16.115 21.824 1.182 336 HD2 PHE 42 HD1 PHE 42 -20.368 21.481 1.412 337 HE1 PHE 42 HE2 PHE 42 -15.887 19.449 1.832 338 HE2 PHE 42 HE1 PHE 42 -20.142 19.106 2.064 339 HZ PHE 42 HZ PHE 42 -17.902 18.091 2.274 340 H LYS 43 H LYS 43 -20.472 25.413 2.035 341 HA LYS 43 HA LYS 43 -21.278 24.215 4.665 342 HB2 LYS 43 1HB LYS 43 -20.919 26.715 4.479 343 HB3 LYS 43 2HB LYS 43 -22.327 26.738 3.390 344 HG2 LYS 43 1HG LYS 43 -22.654 25.418 6.049 345 HG3 LYS 43 2HG LYS 43 -22.531 27.195 6.026 346 HD2 LYS 43 1HD LYS 43 -24.341 27.194 4.257 347 HD3 LYS 43 2HD LYS 43 -24.553 25.457 4.577 348 HE2 LYS 43 1HE LYS 43 -24.860 26.118 7.032 349 HE3 LYS 43 2HE LYS 43 -25.018 27.788 6.445 350 HZ1 LYS 43 3HZ LYS 43 -26.722 25.518 5.637 351 HZ2 LYS 43 1HZ LYS 43 -27.158 26.722 6.680 352 HZ3 LYS 43 2HZ LYS 43 -26.870 27.067 5.092 353 H ASP 44 H ASP 44 -22.604 22.598 4.458 354 HA ASP 44 HA ASP 44 -24.245 21.207 3.568 355 HB2 ASP 44 1HB ASP 44 -25.634 23.911 3.072 356 HB3 ASP 44 2HB ASP 44 -26.251 22.253 2.890 357 H GLY 45 H GLY 45 -22.075 21.999 1.811 358 HA2 GLY 45 1HA GLY 45 -21.738 20.947 -0.316 359 HA3 GLY 45 2HA GLY 45 -23.456 21.206 -0.701 360 H LYS 46 H LYS 46 -22.519 23.999 0.712 361 HA LYS 46 HA LYS 46 -22.157 25.300 -1.946 362 HB2 LYS 46 1HB LYS 46 -22.784 26.448 0.780 363 HB3 LYS 46 2HB LYS 46 -22.682 27.363 -0.744 364 HG2 LYS 46 1HG LYS 46 -24.607 26.165 -1.635 365 HG3 LYS 46 2HG LYS 46 -24.679 25.146 -0.176 366 HD2 LYS 46 1HD LYS 46 -25.149 27.123 1.198 367 HD3 LYS 46 2HD LYS 46 -25.035 28.163 -0.242 368 HE2 LYS 46 1HE LYS 46 -26.920 26.887 -1.255 369 HE3 LYS 46 2HE LYS 46 -27.071 25.971 0.262 370 HZ1 LYS 46 3HZ LYS 46 -27.398 28.889 -0.017 371 HZ2 LYS 46 1HZ LYS 46 -28.623 27.800 0.170 372 HZ3 LYS 46 2HZ LYS 46 -27.538 28.039 1.391 373 H GLN 47 H GLN 47 -20.102 25.217 -2.536 374 HA GLN 47 HA GLN 47 -17.846 25.234 -0.847 375 HB2 GLN 47 1HB GLN 47 -17.883 24.727 -3.283 376 HB3 GLN 47 2HB GLN 47 -18.074 26.468 -3.600 377 HG2 GLN 47 1HG GLN 47 -15.640 26.760 -2.435 378 HG3 GLN 47 2HG GLN 47 -15.949 25.015 -2.286 379 HE21 GLN 47 2HE2 GLN 47 -13.637 25.896 -3.465 380 HE22 GLN 47 1HE2 GLN 47 -13.682 25.585 -5.169 381 H ILE 48 H ILE 48 -16.755 26.643 0.290 382 HA ILE 48 HA ILE 48 -17.789 29.456 0.321 383 HB ILE 48 HB ILE 48 -16.120 27.885 2.340 384 HG12 ILE 48 1HG1 ILE 48 -18.938 28.908 2.560 385 HG13 ILE 48 2HG1 ILE 48 -18.493 27.242 2.125 386 HG21 ILE 48 1HG2 ILE 48 -16.416 29.861 3.794 387 HG22 ILE 48 2HG2 ILE 48 -15.534 30.286 2.309 388 HG23 ILE 48 3HG2 ILE 48 -17.254 30.709 2.472 389 HD11 ILE 48 3HD1 ILE 48 -17.809 28.642 4.734 390 HD12 ILE 48 1HD1 ILE 48 -19.075 27.413 4.513 391 HD13 ILE 48 2HD1 ILE 48 -17.363 26.975 4.299 392 H SER 49 H SER 49 -16.776 31.015 -0.567 393 HA SER 49 HA SER 49 -13.943 30.782 -1.426 394 HB2 SER 49 1HB SER 49 -15.420 31.766 -2.892 395 HB3 SER 49 2HB SER 49 -15.938 32.950 -1.669 396 HG SER 49 HG SER 49 -13.751 33.684 -1.631 397 HA PRO 50 HA PRO 50 -12.301 32.421 2.412 398 HB2 PRO 50 1HB PRO 50 -10.091 33.245 0.487 399 HB3 PRO 50 2HB PRO 50 -9.950 32.364 2.015 400 HG2 PRO 50 1HG PRO 50 -9.685 31.043 -0.286 401 HG3 PRO 50 2HG PRO 50 -10.587 30.300 1.042 402 HD2 PRO 50 1HD PRO 50 -11.661 31.654 -1.467 403 HD3 PRO 50 2HD PRO 50 -12.251 30.199 -0.652 404 H LYS 51 H LYS 51 -12.479 34.259 3.389 405 HA LYS 51 HA LYS 51 -12.938 36.514 3.710 406 HB2 LYS 51 1HB LYS 51 -11.418 36.779 1.112 407 HB3 LYS 51 2HB LYS 51 -11.832 38.107 2.223 408 HG2 LYS 51 1HG LYS 51 -10.446 37.058 3.978 409 HG3 LYS 51 2HG LYS 51 -10.014 35.755 2.847 410 HD2 LYS 51 1HD LYS 51 -8.971 37.391 1.341 411 HD3 LYS 51 2HD LYS 51 -9.423 38.708 2.450 412 HE2 LYS 51 1HE LYS 51 -8.027 37.745 4.205 413 HE3 LYS 51 2HE LYS 51 -7.617 36.373 3.150 414 HZ1 LYS 51 3HZ LYS 51 -6.931 39.196 2.636 415 HZ2 LYS 51 1HZ LYS 51 -5.884 38.035 3.162 416 HZ3 LYS 51 2HZ LYS 51 -6.550 37.925 1.657 417 H SER 52 H SER 52 -15.109 35.339 2.989 418 HA SER 52 HA SER 52 -16.326 36.683 0.600 419 HB2 SER 52 1HB SER 52 -16.623 34.323 1.019 420 HB3 SER 52 2HB SER 52 -17.576 34.759 2.457 421 HG SER 52 HG SER 52 -18.905 34.502 0.643 422 H ASP 53 H ASP 53 -18.916 36.829 1.544 423 HA ASP 53 HA ASP 53 -19.024 39.452 2.619 424 HB2 ASP 53 1HB ASP 53 -21.175 37.251 2.602 425 HB3 ASP 53 2HB ASP 53 -21.289 38.935 3.169 426 H HIS 54 H HIS 54 -19.376 36.318 4.270 427 HA HIS 54 HA HIS 54 -18.661 37.716 6.806 428 HB2 HIS 54 1HB HIS 54 -20.978 35.758 6.467 429 HB3 HIS 54 2HB HIS 54 -20.362 36.361 8.024 430 HD2 HIS 54 HD2 HIS 54 -22.997 37.379 5.342 431 HE1 HIS 54 HE1 HIS 54 -22.292 40.701 7.895 432 HE2 HIS 54 HE2 HIS 54 -23.802 39.650 6.018 433 H TYR 55 H TYR 55 -18.001 35.344 4.605 434 HA TYR 55 HA TYR 55 -17.059 33.393 6.670 435 HB2 TYR 55 1HB TYR 55 -17.495 33.097 3.695 436 HB3 TYR 55 2HB TYR 55 -16.884 31.828 4.785 437 HD1 TYR 55 HD1 TYR 55 -18.940 33.048 7.004 438 HD2 TYR 55 HD2 TYR 55 -19.292 31.406 3.085 439 HE1 TYR 55 HE1 TYR 55 -21.264 32.357 7.508 440 HE2 TYR 55 HE2 TYR 55 -21.614 30.709 3.571 441 HH TYR 55 HH TYR 55 -23.428 31.845 6.111 442 H THR 56 H THR 56 -15.178 34.311 7.335 443 HA THR 56 HA THR 56 -13.110 34.841 5.252 444 HB THR 56 HB THR 56 -13.107 35.421 8.246 445 HG1 THR 56 HG1 THR 56 -13.304 37.606 7.472 446 HG21 THR 56 1HG2 THR 56 -11.083 36.744 7.743 447 HG22 THR 56 2HG2 THR 56 -10.843 35.028 7.336 448 HG23 THR 56 3HG2 THR 56 -11.157 36.213 6.046 449 H ILE 57 H ILE 57 -11.710 33.384 4.721 450 HA ILE 57 HA ILE 57 -11.159 31.151 6.656 451 HB ILE 57 HB ILE 57 -10.836 31.290 3.620 452 HG12 ILE 57 1HG1 ILE 57 -12.702 29.620 5.283 453 HG13 ILE 57 2HG1 ILE 57 -13.144 31.129 4.451 454 HG21 ILE 57 1HG2 ILE 57 -10.221 28.903 3.797 455 HG22 ILE 57 2HG2 ILE 57 -9.075 29.926 4.693 456 HG23 ILE 57 3HG2 ILE 57 -10.321 29.008 5.571 457 HD11 ILE 57 3HD1 ILE 57 -12.142 28.590 3.116 458 HD12 ILE 57 1HD1 ILE 57 -13.827 29.158 3.140 459 HD13 ILE 57 2HD1 ILE 57 -12.583 30.100 2.284 460 H GLN 58 H GLN 58 -9.385 31.117 7.699 461 HA GLN 58 HA GLN 58 -7.003 32.467 6.492 462 HB2 GLN 58 1HB GLN 58 -7.696 33.194 8.743 463 HB3 GLN 58 2HB GLN 58 -7.514 31.519 9.316 464 HG2 GLN 58 1HG GLN 58 -4.884 31.783 8.752 465 HG3 GLN 58 2HG GLN 58 -5.563 33.328 8.187 466 HE21 GLN 58 2HE2 GLN 58 -3.437 33.101 10.037 467 HE22 GLN 58 1HE2 GLN 58 -3.976 33.719 11.563 468 H ARG 59 H ARG 59 -5.540 31.313 5.542 469 HA ARG 59 HA ARG 59 -5.546 28.363 6.045 470 HB2 ARG 59 1HB ARG 59 -6.072 29.118 3.790 471 HB3 ARG 59 2HB ARG 59 -4.449 29.841 3.691 472 HG2 ARG 59 1HG ARG 59 -3.449 27.610 4.026 473 HG3 ARG 59 2HG ARG 59 -5.079 26.898 4.081 474 HD2 ARG 59 1HD ARG 59 -3.856 28.331 1.744 475 HD3 ARG 59 2HD ARG 59 -3.981 26.569 1.949 476 HE ARG 59 HE ARG 59 -6.244 28.311 1.110 477 HH11 ARG 59 1HH1 ARG 59 -5.293 25.184 2.324 478 HH12 ARG 59 2HH1 ARG 59 -6.823 24.509 1.803 479 HH21 ARG 59 1HH2 ARG 59 -7.999 27.550 0.500 480 HH22 ARG 59 2HH2 ARG 59 -8.367 25.857 0.762 481 H ASP 60 H ASP 60 -4.292 28.381 7.907 482 HA ASP 60 HA ASP 60 -1.550 29.344 7.868 483 HB2 ASP 60 1HB ASP 60 -2.918 28.805 10.013 484 HB3 ASP 60 2HB ASP 60 -2.757 27.138 9.406 485 H LEU 61 H LEU 61 0.134 28.587 6.871 486 HA LEU 61 HA LEU 61 -0.214 26.340 5.074 487 HB2 LEU 61 1HB LEU 61 2.095 27.954 5.945 488 HB3 LEU 61 2HB LEU 61 2.284 26.815 4.591 489 HG LEU 61 HG LEU 61 0.502 29.281 4.672 490 HD11 LEU 61 1HD1 LEU 61 2.008 30.088 2.835 491 HD12 LEU 61 2HD1 LEU 61 2.921 29.773 4.329 492 HD13 LEU 61 3HD1 LEU 61 2.970 28.600 2.991 493 HD21 LEU 61 3HD2 LEU 61 -0.577 27.485 3.451 494 HD22 LEU 61 1HD2 LEU 61 -0.033 28.747 2.320 495 HD23 LEU 61 2HD2 LEU 61 0.887 27.231 2.473 496 H ASP 62 H ASP 62 0.640 26.519 8.335 497 HA ASP 62 HA ASP 62 2.398 24.225 8.471 498 HB2 ASP 62 1HB ASP 62 1.791 26.080 10.343 499 HB3 ASP 62 2HB ASP 62 0.438 24.936 10.522 500 H GLY 63 H GLY 63 -0.990 24.586 7.946 501 HA2 GLY 63 1HA GLY 63 -1.910 22.507 6.853 502 HA3 GLY 63 2HA GLY 63 -1.283 21.621 8.262 503 H THR 64 H THR 64 -2.500 24.775 8.890 504 HA THR 64 HA THR 64 -5.020 23.575 9.997 505 HB THR 64 HB THR 64 -3.399 25.936 11.036 506 HG1 THR 64 HG1 THR 64 -3.972 23.651 12.561 507 HG21 THR 64 1HG2 THR 64 -5.035 25.950 12.885 508 HG22 THR 64 2HG2 THR 64 -5.834 26.254 11.323 509 HG23 THR 64 3HG2 THR 64 -5.951 24.651 12.085 510 H CYS 65 H CYS 65 -6.847 24.217 9.203 511 HA CYS 65 HA CYS 65 -6.980 26.871 7.740 512 HB2 CYS 65 1HB CYS 65 -8.465 24.218 7.513 513 HB3 CYS 65 2HB CYS 65 -8.802 25.669 6.538 514 HG CYS 65 HG CYS 65 -6.477 25.799 5.458 515 H SER 66 H SER 66 -8.144 28.394 8.726 516 HA SER 66 HA SER 66 -10.134 27.599 10.872 517 HB2 SER 66 1HB SER 66 -8.308 28.649 11.803 518 HB3 SER 66 2HB SER 66 -8.426 30.000 10.652 519 HG SER 66 HG SER 66 -9.423 30.457 12.662 520 H LEU 67 H LEU 67 -12.194 28.130 10.532 521 HA LEU 67 HA LEU 67 -12.812 30.198 8.449 522 HB2 LEU 67 1HB LEU 67 -13.551 28.118 7.864 523 HB3 LEU 67 2HB LEU 67 -14.418 27.756 9.374 524 HG LEU 67 HG LEU 67 -15.932 29.708 8.871 525 HD11 LEU 67 1HD1 LEU 67 -15.994 30.509 6.494 526 HD12 LEU 67 2HD1 LEU 67 -14.428 30.871 7.258 527 HD13 LEU 67 3HD1 LEU 67 -14.574 29.499 6.132 528 HD21 LEU 67 3HD2 LEU 67 -16.643 27.424 8.469 529 HD22 LEU 67 1HD2 LEU 67 -17.285 28.493 7.199 530 HD23 LEU 67 2HD2 LEU 67 -15.888 27.442 6.857 531 H HIS 68 H HIS 68 -13.421 32.065 9.156 532 HA HIS 68 HA HIS 68 -14.860 32.188 11.783 533 HB2 HIS 68 1HB HIS 68 -12.866 33.536 11.898 534 HB3 HIS 68 2HB HIS 68 -13.177 34.247 10.296 535 HD1 HIS 68 HD2 HIS 68 -14.787 34.165 13.755 536 HD2 HIS 68 HE1 HIS 68 -14.393 36.771 10.468 537 HE1 HIS 68 HE2 HIS 68 -15.915 36.235 14.398 538 H THR 69 H THR 69 -16.928 32.520 11.781 539 HA THR 69 HA THR 69 -18.161 33.920 9.442 540 HB THR 69 HB THR 69 -19.472 32.401 11.736 541 HG1 THR 69 HG1 THR 69 -19.915 30.892 9.997 542 HG21 THR 69 1HG2 THR 69 -21.519 32.603 10.368 543 HG22 THR 69 2HG2 THR 69 -20.888 34.206 10.817 544 HG23 THR 69 3HG2 THR 69 -20.626 33.575 9.174 545 H THR 70 H THR 70 -18.452 35.986 9.539 546 HA THR 70 HA THR 70 -17.971 37.481 11.959 547 HB THR 70 HB THR 70 -19.250 38.345 9.329 548 HG1 THR 70 HG1 THR 70 -17.105 39.176 8.976 549 HG21 THR 70 1HG2 THR 70 -18.671 40.633 10.062 550 HG22 THR 70 2HG2 THR 70 -19.812 39.866 11.193 551 HG23 THR 70 3HG2 THR 70 -18.087 39.988 11.614 552 H ALA 71 H ALA 71 -20.944 36.569 10.243 553 HA ALA 71 HA ALA 71 -22.455 37.226 12.708 554 HB1 ALA 71 3HB ALA 71 -23.156 38.314 9.963 555 HB2 ALA 71 1HB ALA 71 -24.160 38.454 11.425 556 HB3 ALA 71 2HB ALA 71 -22.581 39.265 11.348 557 H SER 72 H SER 72 -22.705 35.024 13.020 558 HA SER 72 HA SER 72 -23.816 33.257 10.932 559 HB2 SER 72 1HB SER 72 -22.239 32.456 12.468 560 HB3 SER 72 2HB SER 72 -23.343 32.804 13.818 561 HG SER 72 HG SER 72 -23.859 31.056 11.644 562 H THR 73 H THR 73 -25.883 33.759 10.323 563 HA THR 73 HA THR 73 -27.906 34.156 12.496 564 HB THR 73 HB THR 73 -29.354 35.126 10.807 565 HG1 THR 73 HG1 THR 73 -27.262 34.407 8.998 566 HG21 THR 73 1HG2 THR 73 -28.026 37.101 10.148 567 HG22 THR 73 2HG2 THR 73 -27.685 36.633 11.831 568 HG23 THR 73 3HG2 THR 73 -26.528 36.226 10.543 569 H LEU 74 H LEU 74 -30.183 33.440 11.571 570 HA LEU 74 HA LEU 74 -30.139 30.585 11.736 571 HB2 LEU 74 1HB LEU 74 -32.128 32.546 10.816 572 HB3 LEU 74 2HB LEU 74 -32.620 30.850 11.027 573 HG LEU 74 HG LEU 74 -31.627 32.730 13.204 574 HD11 LEU 74 1HD1 LEU 74 -33.960 32.504 14.098 575 HD12 LEU 74 2HD1 LEU 74 -33.960 33.203 12.462 576 HD13 LEU 74 3HD1 LEU 74 -34.382 31.490 12.699 577 HD21 LEU 74 3HD2 LEU 74 -30.897 30.452 13.604 578 HD22 LEU 74 1HD2 LEU 74 -32.173 30.893 14.764 579 HD23 LEU 74 2HD2 LEU 74 -32.556 29.850 13.372 580 H ASP 75 H ASP 75 -30.059 32.766 9.007 581 HA ASP 75 HA ASP 75 -30.522 30.647 7.036 582 HB2 ASP 75 1HB ASP 75 -29.435 33.510 6.722 583 HB3 ASP 75 2HB ASP 75 -29.661 32.240 5.493 584 H ASP 76 H ASP 76 -27.863 31.690 8.932 585 HA ASP 76 HA ASP 76 -25.911 30.388 7.097 586 HB2 ASP 76 1HB ASP 76 -25.403 31.879 9.743 587 HB3 ASP 76 2HB ASP 76 -24.289 31.105 8.591 588 H ASP 77 H ASP 77 -27.824 29.710 9.862 589 HA ASP 77 HA ASP 77 -26.311 27.661 11.111 590 HB2 ASP 77 1HB ASP 77 -28.637 28.571 11.863 591 HB3 ASP 77 2HB ASP 77 -29.189 27.615 10.464 592 H GLY 78 H GLY 78 -25.623 25.746 10.588 593 HA2 GLY 78 1HA GLY 78 -26.800 23.749 9.125 594 HA3 GLY 78 2HA GLY 78 -26.071 24.775 7.867 595 H ASN 79 H ASN 79 -24.779 22.857 7.380 596 HA ASN 79 HA ASN 79 -22.680 22.247 9.434 597 HB2 ASN 79 1HB ASN 79 -23.407 20.379 7.062 598 HB3 ASN 79 2HB ASN 79 -22.267 20.419 8.429 599 HD21 ASN 79 2HD2 ASN 79 -25.345 19.537 7.356 600 HD22 ASN 79 1HD2 ASN 79 -26.019 19.063 8.879 601 H TYR 80 H TYR 80 -20.976 23.470 9.186 602 HA TYR 80 HA TYR 80 -20.035 24.221 6.487 603 HB2 TYR 80 1HB TYR 80 -18.972 24.744 9.269 604 HB3 TYR 80 2HB TYR 80 -18.214 25.330 7.767 605 HD1 TYR 80 HD1 TYR 80 -21.380 25.494 9.746 606 HD2 TYR 80 HD2 TYR 80 -18.928 27.354 6.795 607 HE1 TYR 80 HE1 TYR 80 -22.854 27.484 9.788 608 HE2 TYR 80 HE2 TYR 80 -20.387 29.349 6.825 609 HH TYR 80 HH TYR 80 -23.446 29.422 8.467 610 H THR 81 H THR 81 -19.816 21.920 5.872 611 HA THR 81 HA THR 81 -17.872 20.259 7.237 612 HB THR 81 HB THR 81 -19.006 19.992 4.424 613 HG1 THR 81 HG1 THR 81 -20.452 18.521 5.499 614 HG21 THR 81 1HG2 THR 81 -18.391 17.614 4.680 615 HG22 THR 81 2HG2 THR 81 -16.958 18.663 4.805 616 HG23 THR 81 3HG2 THR 81 -17.684 17.968 6.274 617 H ILE 82 H ILE 82 -15.787 19.989 7.005 618 HA ILE 82 HA ILE 82 -14.428 21.475 4.771 619 HB ILE 82 HB ILE 82 -13.748 22.262 7.028 620 HG12 ILE 82 1HG1 ILE 82 -11.654 20.612 5.636 621 HG13 ILE 82 2HG1 ILE 82 -12.170 22.256 5.196 622 HG21 ILE 82 1HG2 ILE 82 -12.565 20.713 8.548 623 HG22 ILE 82 2HG2 ILE 82 -14.242 20.186 8.277 624 HG23 ILE 82 3HG2 ILE 82 -12.905 19.364 7.440 625 HD11 ILE 82 3HD1 ILE 82 -10.848 21.447 7.809 626 HD12 ILE 82 1HD1 ILE 82 -10.056 22.296 6.462 627 HD13 ILE 82 2HD1 ILE 82 -11.364 23.092 7.370 628 H MET 83 H MET 83 -13.131 20.537 3.398 629 HA MET 83 HA MET 83 -12.674 17.593 3.752 630 HB2 MET 83 1HB MET 83 -14.540 18.037 2.207 631 HB3 MET 83 2HB MET 83 -13.454 19.042 1.218 632 HG2 MET 83 1HG MET 83 -12.059 17.097 0.737 633 HG3 MET 83 2HG MET 83 -13.089 16.082 1.773 634 HE1 MET 83 3HE MET 83 -16.004 16.813 1.161 635 HE2 MET 83 1HE MET 83 -16.387 15.761 -0.224 636 HE3 MET 83 2HE MET 83 -15.396 15.140 1.119 637 H ALA 84 H ALA 84 -10.669 16.988 3.628 638 HA ALA 84 HA ALA 84 -8.716 18.805 2.317 639 HB1 ALA 84 3HB ALA 84 -8.286 16.370 4.082 640 HB2 ALA 84 1HB ALA 84 -7.005 17.413 3.419 641 HB3 ALA 84 2HB ALA 84 -8.169 18.068 4.593 642 H ALA 85 H ALA 85 -9.880 18.114 0.269 643 HA ALA 85 HA ALA 85 -9.476 15.368 -0.605 644 HB1 ALA 85 3HB ALA 85 -10.353 17.836 -2.143 645 HB2 ALA 85 1HB ALA 85 -10.430 16.161 -2.734 646 HB3 ALA 85 2HB ALA 85 -11.423 16.662 -1.347 647 H ASN 86 H ASN 86 -8.021 14.513 -1.979 648 HA ASN 86 HA ASN 86 -6.349 16.268 -3.642 649 HB2 ASN 86 1HB ASN 86 -4.145 15.743 -2.626 650 HB3 ASN 86 2HB ASN 86 -5.461 16.084 -1.477 651 HD21 ASN 86 2HD2 ASN 86 -3.691 15.023 -0.143 652 HD22 ASN 86 1HD2 ASN 86 -3.830 13.310 0.077 653 HA PRO 87 HA PRO 87 -6.281 13.124 -6.543 654 HB2 PRO 87 1HB PRO 87 -3.249 12.875 -6.369 655 HB3 PRO 87 2HB PRO 87 -4.249 13.215 -7.788 656 HG2 PRO 87 1HG PRO 87 -2.863 15.195 -6.664 657 HG3 PRO 87 2HG PRO 87 -4.511 15.502 -7.227 658 HD2 PRO 87 1HD PRO 87 -3.523 15.068 -4.381 659 HD3 PRO 87 2HD PRO 87 -4.753 16.193 -4.970 660 H GLN 88 H GLN 88 -4.623 12.471 -3.571 661 HA GLN 88 HA GLN 88 -4.433 9.574 -4.258 662 HB2 GLN 88 1HB GLN 88 -3.409 11.022 -1.814 663 HB3 GLN 88 2HB GLN 88 -2.997 9.379 -2.360 664 HG2 GLN 88 1HG GLN 88 -1.941 12.005 -3.718 665 HG3 GLN 88 2HG GLN 88 -1.300 10.689 -2.708 666 HE21 GLN 88 2HE2 GLN 88 -1.556 11.835 -5.811 667 HE22 GLN 88 1HE2 GLN 88 -1.322 10.359 -6.686 668 H GLY 89 H GLY 89 -6.668 11.593 -2.975 669 HA2 GLY 89 1HA GLY 89 -8.607 9.986 -2.162 670 HA3 GLY 89 2HA GLY 89 -7.492 9.753 -0.795 671 H ARG 90 H ARG 90 -9.617 10.621 0.204 672 HA ARG 90 HA ARG 90 -9.239 13.512 0.716 673 HB2 ARG 90 1HB ARG 90 -11.430 14.170 0.280 674 HB3 ARG 90 2HB ARG 90 -10.685 13.508 -1.194 675 HG2 ARG 90 1HG ARG 90 -11.933 11.416 -0.891 676 HG3 ARG 90 2HG ARG 90 -12.670 12.067 0.593 677 HD2 ARG 90 1HD ARG 90 -13.713 13.826 -0.744 678 HD3 ARG 90 2HD ARG 90 -13.041 13.074 -2.208 679 HE ARG 90 HE ARG 90 -14.724 11.112 -0.900 680 HH11 ARG 90 1HH1 ARG 90 -15.066 14.179 -2.522 681 HH12 ARG 90 2HH1 ARG 90 -16.673 13.724 -3.055 682 HH21 ARG 90 1HH2 ARG 90 -16.564 10.579 -1.495 683 HH22 ARG 90 2HH2 ARG 90 -17.529 11.672 -2.469 684 H VAL 91 H VAL 91 -10.382 14.298 2.541 685 HA VAL 91 HA VAL 91 -11.861 12.323 4.203 686 HB VAL 91 HB VAL 91 -9.502 12.073 4.968 687 HG11 VAL 91 1HG1 VAL 91 -8.382 13.995 6.046 688 HG12 VAL 91 2HG1 VAL 91 -8.688 14.316 4.322 689 HG13 VAL 91 3HG1 VAL 91 -9.730 15.052 5.563 690 HG21 VAL 91 3HG2 VAL 91 -11.316 11.798 6.550 691 HG22 VAL 91 1HG2 VAL 91 -9.902 12.540 7.333 692 HG23 VAL 91 2HG2 VAL 91 -11.305 13.544 6.896 693 H SER 92 H SER 92 -13.314 13.149 5.573 694 HA SER 92 HA SER 92 -13.870 16.106 5.175 695 HB2 SER 92 1HB SER 92 -15.066 14.980 3.555 696 HB3 SER 92 2HB SER 92 -15.735 13.852 4.753 697 HG SER 92 HG SER 92 -17.156 15.582 4.274 698 H CYS 93 H CYS 93 -14.455 17.141 6.987 699 HA CYS 93 HA CYS 93 -15.673 15.556 9.269 700 HB2 CYS 93 1HB CYS 93 -13.617 17.797 9.148 701 HB3 CYS 93 2HB CYS 93 -14.437 17.286 10.645 702 HG CYS 93 HG CYS 93 -12.027 16.491 10.638 703 H THR 94 H THR 94 -17.471 16.439 10.178 704 HA THR 94 HA THR 94 -18.788 18.521 8.536 705 HB THR 94 HB THR 94 -19.866 16.798 10.805 706 HG1 THR 94 HG1 THR 94 -20.871 15.686 9.027 707 HG21 THR 94 1HG2 THR 94 -22.076 17.527 9.978 708 HG22 THR 94 2HG2 THR 94 -21.103 18.918 10.516 709 HG23 THR 94 3HG2 THR 94 -21.282 18.575 8.779 710 H GLY 95 H GLY 95 -18.728 20.555 8.998 711 HA2 GLY 95 1HA GLY 95 -17.969 21.418 11.715 712 HA3 GLY 95 2HA GLY 95 -18.116 22.448 10.273 713 H ARG 96 H ARG 96 -20.241 20.294 12.207 714 HA ARG 96 HA ARG 96 -22.677 21.621 11.651 715 HB2 ARG 96 1HB ARG 96 -22.540 19.448 12.665 716 HB3 ARG 96 2HB ARG 96 -21.922 20.186 14.162 717 HG2 ARG 96 1HG ARG 96 -24.012 21.391 14.473 718 HG3 ARG 96 2HG ARG 96 -24.631 20.765 12.925 719 HD2 ARG 96 1HD ARG 96 -24.564 18.512 13.830 720 HD3 ARG 96 2HD ARG 96 -23.994 19.167 15.383 721 HE ARG 96 HE ARG 96 -26.607 20.314 14.718 722 HH11 ARG 96 1HH1 ARG 96 -25.146 17.357 15.848 723 HH12 ARG 96 2HH1 ARG 96 -26.618 16.949 16.706 724 HH21 ARG 96 1HH2 ARG 96 -28.304 19.857 15.688 725 HH22 ARG 96 2HH2 ARG 96 -28.420 18.374 16.615 726 H LEU 97 H LEU 97 -23.127 23.665 11.836 727 HA LEU 97 HA LEU 97 -22.519 24.957 14.472 728 HB2 LEU 97 1HB LEU 97 -21.178 25.842 12.838 729 HB3 LEU 97 2HB LEU 97 -22.473 26.211 11.675 730 HG LEU 97 HG LEU 97 -23.442 27.778 13.411 731 HD11 LEU 97 1HD1 LEU 97 -21.869 28.574 15.196 732 HD12 LEU 97 2HD1 LEU 97 -22.237 26.844 15.384 733 HD13 LEU 97 3HD1 LEU 97 -20.685 27.352 14.677 734 HD21 LEU 97 3HD2 LEU 97 -22.211 28.605 11.492 735 HD22 LEU 97 1HD2 LEU 97 -21.848 29.601 12.922 736 HD23 LEU 97 2HD2 LEU 97 -20.668 28.395 12.354 737 H MET 98 H MET 98 -24.302 24.946 15.598 738 HA MET 98 HA MET 98 -26.894 25.491 14.227 739 HB2 MET 98 1HB MET 98 -26.246 24.681 17.063 740 HB3 MET 98 2HB MET 98 -27.877 24.900 16.386 741 HG2 MET 98 1HG MET 98 -25.839 22.843 15.481 742 HG3 MET 98 2HG MET 98 -27.236 22.521 16.535 743 HE1 MET 98 3HE MET 98 -29.580 24.171 15.335 744 HE2 MET 98 1HE MET 98 -30.278 23.025 14.165 745 HE3 MET 98 2HE MET 98 -29.714 22.444 15.752 746 H VAL 99 H VAL 99 -28.186 27.184 14.619 747 HA VAL 99 HA VAL 99 -26.924 29.451 16.158 748 HB VAL 99 HB VAL 99 -28.669 29.557 13.664 749 HG11 VAL 99 1HG1 VAL 99 -28.226 31.988 13.761 750 HG12 VAL 99 2HG1 VAL 99 -29.078 31.432 15.222 751 HG13 VAL 99 3HG1 VAL 99 -27.330 31.763 15.282 752 HG21 VAL 99 3HG2 VAL 99 -26.420 28.816 13.146 753 HG22 VAL 99 1HG2 VAL 99 -26.690 30.475 12.561 754 HG23 VAL 99 2HG2 VAL 99 -25.739 30.197 14.040 755 H GLN 100 H GLN 100 -27.929 30.286 17.759 756 HA GLN 100 HA GLN 100 -30.714 29.406 18.292 757 HB2 GLN 100 1HB GLN 100 -28.755 31.052 19.904 758 HB3 GLN 100 2HB GLN 100 -30.377 30.562 20.444 759 HG2 GLN 100 1HG GLN 100 -28.019 28.527 20.009 760 HG3 GLN 100 2HG GLN 100 -28.770 29.354 21.392 761 HE21 GLN 100 2HE2 GLN 100 -28.768 26.590 19.475 762 HE22 GLN 100 1HE2 GLN 100 -30.307 25.942 19.935 763 H ALA 101 H ALA 101 -32.400 30.485 17.696 764 HA ALA 101 HA ALA 101 -32.224 33.006 16.375 765 HB1 ALA 101 3HB ALA 101 -34.630 31.656 17.642 766 HB2 ALA 101 1HB ALA 101 -34.685 33.001 16.482 767 HB3 ALA 101 2HB ALA 101 -34.051 31.417 15.977 768 H VAL 102 H VAL 102 -32.429 35.062 16.968 769 HA VAL 102 HA VAL 102 -32.903 35.619 19.895 770 HB VAL 102 HB VAL 102 -31.095 37.108 17.948 771 HG11 VAL 102 1HG1 VAL 102 -30.463 38.424 19.944 772 HG12 VAL 102 2HG1 VAL 102 -32.201 38.581 19.598 773 HG13 VAL 102 3HG1 VAL 102 -31.648 37.520 20.915 774 HG21 VAL 102 3HG2 VAL 102 -30.115 34.992 18.605 775 HG22 VAL 102 1HG2 VAL 102 -29.257 36.350 19.370 776 HG23 VAL 102 2HG2 VAL 102 -30.400 35.372 20.321 777 H ASN 103 H ASN 103 -34.726 36.507 20.277 778 HA ASN 103 HA ASN 103 -36.328 37.653 18.138 779 HB2 ASN 103 1HB ASN 103 -36.962 37.646 21.184 780 HB3 ASN 103 2HB ASN 103 -37.733 38.306 19.722 781 HD21 ASN 103 2HD2 ASN 103 -38.539 36.214 21.686 782 HD22 ASN 103 1HD2 ASN 103 -38.920 34.824 20.726 783 H GLN 104 H GLN 104 -34.005 38.926 20.355 784 HA GLN 104 HA GLN 104 -34.998 41.694 20.066 785 HB2 GLN 104 1HB GLN 104 -32.474 40.569 21.309 786 HB3 GLN 104 2HB GLN 104 -33.014 42.263 21.393 787 HG2 GLN 104 1HG GLN 104 -34.425 39.893 22.898 788 HG3 GLN 104 2HG GLN 104 -33.380 41.274 23.305 789 HE21 GLN 104 2HE2 GLN 104 -36.517 40.181 23.213 790 HE22 GLN 104 1HE2 GLN 104 -37.350 41.699 23.183 791 H ARG 105 H ARG 105 -33.244 39.591 18.174 792 HA ARG 105 HA ARG 105 -31.298 41.477 17.100 793 HB2 ARG 105 1HB ARG 105 -30.905 39.123 17.023 794 HB3 ARG 105 2HB ARG 105 -32.322 38.909 15.969 795 HG2 ARG 105 1HG ARG 105 -30.407 38.855 14.555 796 HG3 ARG 105 2HG ARG 105 -31.188 40.436 14.308 797 HD2 ARG 105 1HD ARG 105 -28.850 40.737 14.365 798 HD3 ARG 105 2HD ARG 105 -29.546 41.418 15.854 799 HE ARG 105 HE ARG 105 -28.414 38.722 16.299 800 HH11 ARG 105 1HH1 ARG 105 -27.606 42.107 16.090 801 HH12 ARG 105 2HH1 ARG 105 -26.219 41.847 17.127 802 HH21 ARG 105 1HH2 ARG 105 -26.823 38.405 17.481 803 HH22 ARG 105 2HH2 ARG 105 -25.770 39.736 17.921 804 H GLY 106 H GLY 106 -31.736 43.200 15.991 805 HA2 GLY 106 1HA GLY 106 -34.354 43.734 14.947 806 HA3 GLY 106 2HA GLY 106 -32.888 44.707 14.670 807 H ARG 107 H ARG 107 -31.505 42.233 13.617 808 HA ARG 107 HA ARG 107 -32.686 42.361 10.865 809 HB2 ARG 107 1HB ARG 107 -29.895 41.752 11.740 810 HB3 ARG 107 2HB ARG 107 -30.517 41.625 10.078 811 HG2 ARG 107 1HG ARG 107 -31.030 44.041 10.103 812 HG3 ARG 107 2HG ARG 107 -30.361 44.154 11.748 813 HD2 ARG 107 1HD ARG 107 -28.190 43.557 10.940 814 HD3 ARG 107 2HD ARG 107 -28.838 43.332 9.298 815 HE ARG 107 HE ARG 107 -29.285 46.090 9.990 816 HH11 ARG 107 1HH1 ARG 107 -26.542 43.982 9.557 817 HH12 ARG 107 2HH1 ARG 107 -25.574 45.340 9.023 818 HH21 ARG 107 1HH2 ARG 107 -28.186 47.659 9.389 819 HH22 ARG 107 2HH2 ARG 107 -26.509 47.438 8.927 820 H SER 108 H SER 108 -33.388 40.571 13.243 821 HA SER 108 HA SER 108 -32.585 37.873 12.878 822 HB2 SER 108 1HB SER 108 -33.821 38.636 14.723 823 HB3 SER 108 2HB SER 108 -35.246 38.877 13.686 824 HG SER 108 HG SER 108 -33.969 36.487 14.439 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -3.095 5.362 2.640 2 H2 GLY 1 2H GLY 1 -2.675 4.187 1.807 3 H3 GLY 1 3H GLY 1 -1.900 5.470 1.739 4 HA2 GLY 1 1HA GLY 1 -4.064 4.763 0.043 5 HA3 GLY 1 2HA GLY 1 -4.563 6.157 1.029 6 H GLY 2 H GLY 2 -3.989 5.816 -1.910 7 HA2 GLY 2 1HA GLY 2 -3.305 7.428 -3.477 8 HA3 GLY 2 2HA GLY 2 -2.426 8.292 -2.195 9 H SER 3 H SER 3 -0.872 8.393 -4.100 10 HA SER 3 HA SER 3 1.123 6.138 -3.824 11 HB2 SER 3 1HB SER 3 -0.128 5.578 -5.712 12 HB3 SER 3 2HB SER 3 0.151 7.189 -6.414 13 HG SER 3 HG SER 3 1.634 5.617 -7.175 14 H ASN 4 H ASN 4 3.088 6.931 -3.431 15 HA ASN 4 HA ASN 4 4.848 8.429 -3.209 16 HB2 ASN 4 1HB ASN 4 3.678 9.947 -5.665 17 HB3 ASN 4 2HB ASN 4 5.115 10.083 -4.621 18 HD21 ASN 4 2HD2 ASN 4 4.603 9.408 -7.537 19 HD22 ASN 4 1HD2 ASN 4 5.535 7.972 -7.803 20 H ALA 5 H ALA 5 2.404 8.739 -1.679 21 HA ALA 5 HA ALA 5 2.978 11.302 -0.504 22 HB1 ALA 5 3HB ALA 5 0.375 11.065 -2.050 23 HB2 ALA 5 1HB ALA 5 0.812 12.393 -0.951 24 HB3 ALA 5 2HB ALA 5 1.738 12.137 -2.451 25 H THR 6 H THR 6 1.572 11.814 1.318 26 HA THR 6 HA THR 6 0.513 9.293 2.531 27 HB THR 6 HB THR 6 1.308 11.926 3.835 28 HG1 THR 6 HG1 THR 6 3.034 10.597 4.652 29 HG21 THR 6 1HG2 THR 6 1.021 10.681 5.949 30 HG22 THR 6 2HG2 THR 6 -0.506 10.757 5.039 31 HG23 THR 6 3HG2 THR 6 0.458 9.261 5.039 32 H ALA 7 H ALA 7 -1.541 8.954 2.738 33 HA ALA 7 HA ALA 7 -3.528 10.741 1.812 34 HB1 ALA 7 3HB ALA 7 -3.791 8.471 3.811 35 HB2 ALA 7 1HB ALA 7 -5.131 9.246 2.936 36 HB3 ALA 7 2HB ALA 7 -3.898 8.326 2.041 37 HA PRO 8 HA PRO 8 -3.784 13.640 5.093 38 HB2 PRO 8 1HB PRO 8 -6.150 14.858 4.328 39 HB3 PRO 8 2HB PRO 8 -4.651 15.128 3.429 40 HG2 PRO 8 1HG PRO 8 -6.927 13.218 2.808 41 HG3 PRO 8 2HG PRO 8 -6.064 14.309 1.716 42 HD2 PRO 8 1HD PRO 8 -5.439 11.653 1.826 43 HD3 PRO 8 2HD PRO 8 -4.182 12.864 1.545 44 H PHE 9 H PHE 9 -4.671 13.910 7.027 45 HA PHE 9 HA PHE 9 -7.318 12.759 7.619 46 HB2 PHE 9 1HB PHE 9 -6.523 11.346 9.460 47 HB3 PHE 9 2HB PHE 9 -5.769 10.818 7.939 48 HD1 PHE 9 HD2 PHE 9 -3.417 11.183 7.520 49 HD2 PHE 9 HD1 PHE 9 -5.237 12.315 11.216 50 HE1 PHE 9 HE2 PHE 9 -1.182 11.364 8.562 51 HE2 PHE 9 HE1 PHE 9 -3.003 12.501 12.261 52 HZ PHE 9 HZ PHE 9 -0.976 12.025 10.933 53 H PHE 10 H PHE 10 -8.140 13.345 9.687 54 HA PHE 10 HA PHE 10 -7.354 16.144 10.198 55 HB2 PHE 10 1HB PHE 10 -9.684 14.428 11.150 56 HB3 PHE 10 2HB PHE 10 -9.431 16.119 11.639 57 HD1 PHE 10 HD2 PHE 10 -9.591 17.922 9.987 58 HD2 PHE 10 HD1 PHE 10 -10.554 13.870 9.035 59 HE1 PHE 10 HE2 PHE 10 -10.823 18.688 7.985 60 HE2 PHE 10 HE1 PHE 10 -11.785 14.632 7.031 61 HZ PHE 10 HZ PHE 10 -11.919 17.041 6.506 62 H GLU 11 H GLU 11 -5.397 16.006 11.254 63 HA GLU 11 HA GLU 11 -4.956 14.718 13.751 64 HB2 GLU 11 1HB GLU 11 -3.253 15.907 12.412 65 HB3 GLU 11 2HB GLU 11 -4.021 17.450 12.858 66 HG2 GLU 11 1HG GLU 11 -3.434 17.028 15.274 67 HG3 GLU 11 2HG GLU 11 -2.838 15.444 14.731 68 H MET 12 H MET 12 -6.616 17.757 12.990 69 HA MET 12 HA MET 12 -7.868 17.555 15.706 70 HB2 MET 12 1HB MET 12 -6.238 19.352 15.738 71 HB3 MET 12 2HB MET 12 -6.965 20.054 14.273 72 HG2 MET 12 1HG MET 12 -9.017 20.538 15.472 73 HG3 MET 12 2HG MET 12 -8.394 19.724 16.927 74 HE1 MET 12 3HE MET 12 -8.186 22.864 14.593 75 HE2 MET 12 1HE MET 12 -6.774 23.729 15.245 76 HE3 MET 12 2HE MET 12 -6.557 22.172 14.407 77 H LYS 13 H LYS 13 -9.960 17.377 15.674 78 HA LYS 13 HA LYS 13 -11.319 17.838 13.050 79 HB2 LYS 13 1HB LYS 13 -12.068 16.133 15.431 80 HB3 LYS 13 2HB LYS 13 -13.042 16.327 13.954 81 HG2 LYS 13 1HG LYS 13 -11.226 15.320 12.626 82 HG3 LYS 13 2HG LYS 13 -10.260 15.117 14.107 83 HD2 LYS 13 1HD LYS 13 -11.948 13.620 15.040 84 HD3 LYS 13 2HD LYS 13 -12.984 13.869 13.615 85 HE2 LYS 13 1HE LYS 13 -11.228 12.891 12.183 86 HE3 LYS 13 2HE LYS 13 -10.221 12.615 13.622 87 HZ1 LYS 13 3HZ LYS 13 -12.868 11.410 13.126 88 HZ2 LYS 13 1HZ LYS 13 -11.419 10.635 12.981 89 HZ3 LYS 13 2HZ LYS 13 -11.933 11.153 14.461 90 H LEU 14 H LEU 14 -13.599 18.463 13.120 91 HA LEU 14 HA LEU 14 -13.897 20.812 14.876 92 HB2 LEU 14 1HB LEU 14 -15.525 19.579 12.758 93 HB3 LEU 14 2HB LEU 14 -16.034 21.123 13.480 94 HG LEU 14 HG LEU 14 -13.496 20.626 11.875 95 HD11 LEU 14 1HD1 LEU 14 -14.563 22.169 10.208 96 HD12 LEU 14 2HD1 LEU 14 -15.560 20.720 10.480 97 HD13 LEU 14 3HD1 LEU 14 -16.006 22.264 11.244 98 HD21 LEU 14 3HD2 LEU 14 -13.124 22.249 13.637 99 HD22 LEU 14 1HD2 LEU 14 -13.143 23.064 12.055 100 HD23 LEU 14 2HD2 LEU 14 -14.559 23.172 13.131 101 H LYS 15 H LYS 15 -15.680 21.248 16.192 102 HA LYS 15 HA LYS 15 -17.082 18.782 17.174 103 HB2 LYS 15 1HB LYS 15 -16.373 21.325 18.645 104 HB3 LYS 15 2HB LYS 15 -17.320 19.969 19.303 105 HG2 LYS 15 1HG LYS 15 -15.369 18.487 19.063 106 HG3 LYS 15 2HG LYS 15 -14.421 19.842 18.404 107 HD2 LYS 15 1HD LYS 15 -14.682 21.071 20.508 108 HD3 LYS 15 2HD LYS 15 -15.675 19.751 21.169 109 HE2 LYS 15 1HE LYS 15 -13.773 18.211 20.958 110 HE3 LYS 15 2HE LYS 15 -12.778 19.527 20.294 111 HZ1 LYS 15 3HZ LYS 15 -13.960 19.467 22.997 112 HZ2 LYS 15 1HZ LYS 15 -12.372 19.202 22.638 113 HZ3 LYS 15 2HZ LYS 15 -13.038 20.689 22.380 114 H HIS 16 H HIS 16 -19.195 19.231 18.222 115 HA HIS 16 HA HIS 16 -20.944 20.696 16.450 116 HB2 HIS 16 1HB HIS 16 -21.683 18.728 17.819 117 HB3 HIS 16 2HB HIS 16 -21.495 19.719 19.286 118 HD1 HIS 16 HD1 HIS 16 -24.132 18.896 19.357 119 HD2 HIS 16 HD2 HIS 16 -23.159 22.015 16.695 120 HE1 HIS 16 HE1 HIS 16 -26.248 19.970 18.776 121 H TYR 17 H TYR 17 -21.015 22.781 16.223 122 HA TYR 17 HA TYR 17 -20.288 24.493 18.566 123 HB2 TYR 17 1HB TYR 17 -20.486 25.169 15.622 124 HB3 TYR 17 2HB TYR 17 -19.921 26.242 16.927 125 HD1 TYR 17 HD2 TYR 17 -17.928 25.170 18.376 126 HD2 TYR 17 HD1 TYR 17 -18.851 24.126 14.346 127 HE1 TYR 17 HE2 TYR 17 -15.619 24.340 18.074 128 HE2 TYR 17 HE1 TYR 17 -16.540 23.290 14.025 129 HH TYR 17 HH TYR 17 -14.054 23.619 16.529 130 H LYS 18 H LYS 18 -21.518 26.154 19.277 131 HA LYS 18 HA LYS 18 -24.185 26.539 17.987 132 HB2 LYS 18 1HB LYS 18 -23.642 26.088 20.924 133 HB3 LYS 18 2HB LYS 18 -25.171 26.713 20.259 134 HG2 LYS 18 1HG LYS 18 -25.419 24.602 18.959 135 HG3 LYS 18 2HG LYS 18 -23.950 23.979 19.750 136 HD2 LYS 18 1HD LYS 18 -25.043 24.229 21.951 137 HD3 LYS 18 2HD LYS 18 -26.515 24.819 21.145 138 HE2 LYS 18 1HE LYS 18 -26.717 22.683 19.948 139 HE3 LYS 18 2HE LYS 18 -25.245 22.091 20.751 140 HZ1 LYS 18 3HZ LYS 18 -27.754 22.844 22.108 141 HZ2 LYS 18 1HZ LYS 18 -27.232 21.302 21.843 142 HZ3 LYS 18 2HZ LYS 18 -26.389 22.296 22.854 143 H ILE 19 H ILE 19 -24.962 28.546 17.950 144 HA ILE 19 HA ILE 19 -23.641 30.689 19.518 145 HB ILE 19 HB ILE 19 -22.304 30.360 17.327 146 HG12 ILE 19 1HG1 ILE 19 -22.336 32.805 16.824 147 HG13 ILE 19 2HG1 ILE 19 -23.656 32.953 18.008 148 HG21 ILE 19 1HG2 ILE 19 -23.353 31.319 15.305 149 HG22 ILE 19 2HG2 ILE 19 -24.245 29.888 15.871 150 HG23 ILE 19 3HG2 ILE 19 -24.883 31.518 16.192 151 HD11 ILE 19 3HD1 ILE 19 -20.859 31.914 18.583 152 HD12 ILE 19 1HD1 ILE 19 -21.483 33.520 19.023 153 HD13 ILE 19 2HD1 ILE 19 -22.179 32.060 19.767 154 H PHE 20 H PHE 20 -24.743 32.574 19.689 155 HA PHE 20 HA PHE 20 -27.617 32.426 19.078 156 HB2 PHE 20 1HB PHE 20 -25.835 34.500 20.410 157 HB3 PHE 20 2HB PHE 20 -27.555 34.790 20.067 158 HD1 PHE 20 HD2 PHE 20 -29.275 33.362 21.135 159 HD2 PHE 20 HD1 PHE 20 -25.151 33.218 22.240 160 HE1 PHE 20 HE2 PHE 20 -29.887 32.272 23.268 161 HE2 PHE 20 HE1 PHE 20 -25.759 32.126 24.372 162 HZ PHE 20 HZ PHE 20 -28.127 31.652 24.886 163 H GLU 21 H GLU 21 -28.792 33.666 17.709 164 HA GLU 21 HA GLU 21 -27.688 34.164 15.154 165 HB2 GLU 21 1HB GLU 21 -30.080 33.875 15.637 166 HB3 GLU 21 2HB GLU 21 -30.092 35.460 16.447 167 HG2 GLU 21 1HG GLU 21 -29.472 36.534 14.208 168 HG3 GLU 21 2HG GLU 21 -29.514 34.872 13.575 169 H GLY 22 H GLY 22 -26.338 35.580 14.407 170 HA2 GLY 22 1HA GLY 22 -26.024 37.893 13.768 171 HA3 GLY 22 2HA GLY 22 -26.619 38.391 15.367 172 H MET 23 H MET 23 -24.880 35.975 16.360 173 HA MET 23 HA MET 23 -22.592 37.730 17.013 174 HB2 MET 23 1HB MET 23 -23.312 34.940 17.914 175 HB3 MET 23 2HB MET 23 -21.987 35.940 18.557 176 HG2 MET 23 1HG MET 23 -24.942 36.610 18.715 177 HG3 MET 23 2HG MET 23 -23.974 35.915 20.037 178 HE1 MET 23 3HE MET 23 -21.266 37.349 20.048 179 HE2 MET 23 1HE MET 23 -21.589 38.783 21.052 180 HE3 MET 23 2HE MET 23 -22.294 37.209 21.495 181 HA PRO 24 HA PRO 24 -19.748 35.828 14.267 182 HB2 PRO 24 1HB PRO 24 -17.383 36.401 15.538 183 HB3 PRO 24 2HB PRO 24 -18.344 37.705 14.829 184 HG2 PRO 24 1HG PRO 24 -18.198 36.800 17.722 185 HG3 PRO 24 2HG PRO 24 -18.159 38.444 17.070 186 HD2 PRO 24 1HD PRO 24 -20.469 37.337 18.086 187 HD3 PRO 24 2HD PRO 24 -20.505 38.525 16.776 188 H VAL 25 H VAL 25 -18.442 34.083 13.954 189 HA VAL 25 HA VAL 25 -18.135 32.198 16.265 190 HB VAL 25 HB VAL 25 -19.220 31.417 13.528 191 HG11 VAL 25 1HG1 VAL 25 -19.557 29.217 14.605 192 HG12 VAL 25 2HG1 VAL 25 -17.842 29.690 14.637 193 HG13 VAL 25 3HG1 VAL 25 -18.835 29.841 16.107 194 HG21 VAL 25 3HG2 VAL 25 -20.904 32.660 14.747 195 HG22 VAL 25 1HG2 VAL 25 -21.326 30.934 14.668 196 HG23 VAL 25 2HG2 VAL 25 -20.668 31.620 16.173 197 H THR 26 H THR 26 -16.240 31.407 16.479 198 HA THR 26 HA THR 26 -14.473 31.327 14.056 199 HB THR 26 HB THR 26 -13.648 31.928 16.930 200 HG1 THR 26 HG1 THR 26 -13.895 33.566 14.605 201 HG21 THR 26 1HG2 THR 26 -11.424 32.344 15.938 202 HG22 THR 26 2HG2 THR 26 -11.949 30.666 15.654 203 HG23 THR 26 3HG2 THR 26 -12.046 31.864 14.342 204 H PHE 27 H PHE 27 -13.829 29.424 13.480 205 HA PHE 27 HA PHE 27 -12.903 27.521 15.532 206 HB2 PHE 27 1HB PHE 27 -14.270 25.643 14.587 207 HB3 PHE 27 2HB PHE 27 -15.269 26.876 15.389 208 HD1 PHE 27 HD2 PHE 27 -16.614 28.434 14.061 209 HD2 PHE 27 HD1 PHE 27 -14.474 25.191 12.284 210 HE1 PHE 27 HE2 PHE 27 -18.002 28.637 12.026 211 HE2 PHE 27 HE1 PHE 27 -15.859 25.392 10.246 212 HZ PHE 27 HZ PHE 27 -17.622 27.115 10.117 213 H THR 28 H THR 28 -11.832 25.634 14.596 214 HA THR 28 HA THR 28 -10.764 26.056 11.866 215 HB THR 28 HB THR 28 -9.396 27.605 13.272 216 HG1 THR 28 HG1 THR 28 -7.384 26.661 12.618 217 HG21 THR 28 1HG2 THR 28 -7.886 26.646 14.975 218 HG22 THR 28 2HG2 THR 28 -9.592 26.393 15.416 219 HG23 THR 28 3HG2 THR 28 -8.638 25.050 14.744 220 H CYS 29 H CYS 29 -9.408 24.384 11.120 221 HA CYS 29 HA CYS 29 -9.516 21.817 12.721 222 HB2 CYS 29 1HB CYS 29 -11.517 22.309 11.165 223 HB3 CYS 29 2HB CYS 29 -10.358 22.144 9.823 224 HG CYS 29 HG CYS 29 -11.269 19.998 12.104 225 H ARG 30 H ARG 30 -7.932 20.330 12.156 226 HA ARG 30 HA ARG 30 -5.745 21.428 10.416 227 HB2 ARG 30 1HB ARG 30 -5.212 21.745 12.735 228 HB3 ARG 30 2HB ARG 30 -5.416 20.000 13.017 229 HG2 ARG 30 1HG ARG 30 -3.562 19.540 11.458 230 HG3 ARG 30 2HG ARG 30 -3.350 21.289 11.206 231 HD2 ARG 30 1HD ARG 30 -2.697 21.587 13.472 232 HD3 ARG 30 2HD ARG 30 -3.052 19.881 13.838 233 HE ARG 30 HE ARG 30 -0.871 19.324 12.806 234 HH11 ARG 30 1HH1 ARG 30 -1.662 22.667 12.207 235 HH12 ARG 30 2HH1 ARG 30 -0.018 22.967 11.679 236 HH21 ARG 30 1HH2 ARG 30 1.012 19.649 12.195 237 HH22 ARG 30 2HH2 ARG 30 1.509 21.247 11.671 238 H VAL 31 H VAL 31 -5.289 20.241 8.757 239 HA VAL 31 HA VAL 31 -5.716 17.261 8.950 240 HB VAL 31 HB VAL 31 -5.616 19.067 6.495 241 HG11 VAL 31 1HG1 VAL 31 -6.253 17.014 5.272 242 HG12 VAL 31 2HG1 VAL 31 -4.688 16.810 6.096 243 HG13 VAL 31 3HG1 VAL 31 -6.159 16.083 6.786 244 HG21 VAL 31 3HG2 VAL 31 -7.673 19.382 7.736 245 HG22 VAL 31 1HG2 VAL 31 -7.977 18.501 6.221 246 HG23 VAL 31 2HG2 VAL 31 -7.945 17.623 7.769 247 H ALA 32 H ALA 32 -4.057 16.065 9.177 248 HA ALA 32 HA ALA 32 -1.393 17.210 8.558 249 HB1 ALA 32 3HB ALA 32 -2.186 14.659 10.007 250 HB2 ALA 32 1HB ALA 32 -0.528 15.281 9.826 251 HB3 ALA 32 2HB ALA 32 -1.723 16.199 10.770 252 H GLY 33 H GLY 33 -2.246 17.016 6.215 253 HA2 GLY 33 1HA GLY 33 -1.701 14.321 5.106 254 HA3 GLY 33 2HA GLY 33 -2.280 15.745 4.210 255 H ASN 34 H ASN 34 -0.351 14.385 2.994 256 HA ASN 34 HA ASN 34 1.770 16.395 2.889 257 HB2 ASN 34 3HB ASN 34 2.500 14.749 4.763 258 HB3 ASN 34 2HB ASN 34 2.519 13.458 3.586 259 HD21 ASN 34 2HD2 ASN 34 4.708 14.167 5.139 260 HD22 ASN 34 1HD2 ASN 34 5.975 14.750 3.935 261 HA PRO 35 HA PRO 35 2.335 17.476 1.729 262 HB2 PRO 35 1HB PRO 35 1.482 19.013 -0.397 263 HB3 PRO 35 2HB PRO 35 3.059 18.211 -0.437 264 HG2 PRO 35 1HG PRO 35 0.435 17.323 -1.684 265 HG3 PRO 35 2HG PRO 35 2.055 17.335 -2.394 266 HD2 PRO 35 1HD PRO 35 0.971 15.039 -1.364 267 HD3 PRO 35 2HD PRO 35 2.709 15.350 -1.268 268 H LYS 36 H LYS 36 1.133 19.183 2.518 269 HA LYS 36 HA LYS 36 -1.503 18.512 3.389 270 HB2 LYS 36 1HB LYS 36 -0.003 21.119 3.240 271 HB3 LYS 36 2HB LYS 36 -1.634 20.969 3.936 272 HG2 LYS 36 1HG LYS 36 -0.100 20.916 5.764 273 HG3 LYS 36 2HG LYS 36 -0.687 19.252 5.531 274 HD2 LYS 36 1HD LYS 36 1.341 18.638 4.366 275 HD3 LYS 36 2HD LYS 36 1.911 20.324 4.384 276 HE2 LYS 36 1HE LYS 36 3.019 18.945 6.107 277 HE3 LYS 36 2HE LYS 36 2.082 20.285 6.805 278 HZ1 LYS 36 3HZ LYS 36 1.192 17.478 6.636 279 HZ2 LYS 36 1HZ LYS 36 1.725 18.233 8.001 280 HZ3 LYS 36 2HZ LYS 36 0.322 18.721 7.283 281 HA PRO 37 HA PRO 37 -3.631 19.336 -0.449 282 HB2 PRO 37 1HB PRO 37 -5.965 18.668 1.365 283 HB3 PRO 37 2HB PRO 37 -5.554 17.965 -0.205 284 HG2 PRO 37 1HG PRO 37 -5.148 16.544 2.019 285 HG3 PRO 37 2HG PRO 37 -3.948 16.492 0.720 286 HD2 PRO 37 1HD PRO 37 -3.855 18.070 3.332 287 HD3 PRO 37 2HD PRO 37 -2.563 17.154 2.547 288 H LYS 38 H LYS 38 -4.981 20.893 -1.213 289 HA LYS 38 HA LYS 38 -5.087 23.345 0.341 290 HB2 LYS 38 1HB LYS 38 -4.877 23.273 -2.109 291 HB3 LYS 38 2HB LYS 38 -6.513 22.576 -2.208 292 HG2 LYS 38 1HG LYS 38 -7.477 24.608 -1.277 293 HG3 LYS 38 2HG LYS 38 -5.856 25.303 -1.046 294 HD2 LYS 38 1HD LYS 38 -5.484 25.239 -3.483 295 HD3 LYS 38 2HD LYS 38 -7.111 24.555 -3.709 296 HE2 LYS 38 1HE LYS 38 -8.110 26.567 -2.737 297 HE3 LYS 38 2HE LYS 38 -6.491 27.251 -2.466 298 HZ1 LYS 38 3HZ LYS 38 -7.659 26.603 -5.096 299 HZ2 LYS 38 1HZ LYS 38 -7.499 28.118 -4.465 300 HZ3 LYS 38 2HZ LYS 38 -6.156 27.237 -4.845 301 H ILE 39 H ILE 39 -6.135 22.607 2.254 302 HA ILE 39 HA ILE 39 -8.611 21.352 2.493 303 HB ILE 39 HB ILE 39 -7.482 23.688 4.099 304 HG12 ILE 39 1HG1 ILE 39 -7.644 20.756 4.739 305 HG13 ILE 39 2HG1 ILE 39 -6.216 21.581 4.073 306 HG21 ILE 39 1HG2 ILE 39 -9.145 23.089 5.827 307 HG22 ILE 39 2HG2 ILE 39 -9.942 23.609 4.324 308 HG23 ILE 39 3HG2 ILE 39 -9.850 21.879 4.729 309 HD11 ILE 39 3HD1 ILE 39 -7.536 22.185 6.742 310 HD12 ILE 39 1HD1 ILE 39 -6.018 21.288 6.511 311 HD13 ILE 39 2HD1 ILE 39 -6.108 23.011 6.076 312 H TYR 40 H TYR 40 -10.533 21.596 1.802 313 HA TYR 40 HA TYR 40 -11.381 24.337 0.936 314 HB2 TYR 40 1HB TYR 40 -12.483 21.614 0.206 315 HB3 TYR 40 2HB TYR 40 -13.066 23.185 -0.398 316 HD1 TYR 40 HD2 TYR 40 -11.392 24.629 -1.722 317 HD2 TYR 40 HD1 TYR 40 -10.769 20.483 -0.941 318 HE1 TYR 40 HE2 TYR 40 -9.761 24.535 -3.576 319 HE2 TYR 40 HE1 TYR 40 -9.132 20.371 -2.796 320 HH TYR 40 HH TYR 40 -8.073 21.511 -4.451 321 H TRP 41 H TRP 41 -13.283 25.225 1.560 322 HA TRP 41 HA TRP 41 -14.825 23.712 3.644 323 HB2 TRP 41 1HB TRP 41 -14.258 26.698 3.441 324 HB3 TRP 41 2HB TRP 41 -15.458 25.983 4.541 325 HD1 TRP 41 HD1 TRP 41 -11.811 26.286 3.936 326 HE1 TRP 41 HE1 TRP 41 -10.471 25.673 6.203 327 HE3 TRP 41 HE3 TRP 41 -15.746 24.612 6.686 328 HZ2 TRP 41 HZ2 TRP 41 -11.155 24.646 8.676 329 HZ3 TRP 41 HZ3 TRP 41 -15.402 23.832 8.948 330 HH2 TRP 41 HH2 TRP 41 -13.172 23.828 9.983 331 H PHE 42 H PHE 42 -16.961 23.536 3.468 332 HA PHE 42 HA PHE 42 -18.449 25.411 1.746 333 HB2 PHE 42 1HB PHE 42 -19.563 23.555 0.488 334 HB3 PHE 42 2HB PHE 42 -17.833 23.693 0.104 335 HD1 PHE 42 HD2 PHE 42 -16.241 22.046 0.951 336 HD2 PHE 42 HD1 PHE 42 -20.453 21.631 1.527 337 HE1 PHE 42 HE2 PHE 42 -15.930 19.650 1.478 338 HE2 PHE 42 HE1 PHE 42 -20.146 19.235 2.057 339 HZ PHE 42 HZ PHE 42 -17.885 18.246 2.033 340 H LYS 43 H LYS 43 -20.614 25.546 2.171 341 HA LYS 43 HA LYS 43 -21.354 24.270 4.787 342 HB2 LYS 43 1HB LYS 43 -21.009 26.760 4.710 343 HB3 LYS 43 2HB LYS 43 -22.393 26.843 3.595 344 HG2 LYS 43 1HG LYS 43 -22.793 25.424 6.192 345 HG3 LYS 43 2HG LYS 43 -22.644 27.198 6.244 346 HD2 LYS 43 1HD LYS 43 -24.414 27.277 4.420 347 HD3 LYS 43 2HD LYS 43 -24.668 25.541 4.711 348 HE2 LYS 43 1HE LYS 43 -24.974 26.204 7.185 349 HE3 LYS 43 2HE LYS 43 -25.152 27.865 6.574 350 HZ1 LYS 43 3HZ LYS 43 -26.814 25.561 5.785 351 HZ2 LYS 43 1HZ LYS 43 -27.278 26.769 6.808 352 HZ3 LYS 43 2HZ LYS 43 -26.983 27.099 5.218 353 H ASP 44 H ASP 44 -22.683 22.658 4.568 354 HA ASP 44 HA ASP 44 -24.351 21.296 3.688 355 HB2 ASP 44 1HB ASP 44 -25.722 24.022 3.287 356 HB3 ASP 44 2HB ASP 44 -26.357 22.384 3.024 357 H GLY 45 H GLY 45 -22.203 22.099 1.916 358 HA2 GLY 45 1HA GLY 45 -21.869 21.136 -0.242 359 HA3 GLY 45 2HA GLY 45 -23.606 21.319 -0.583 360 H LYS 46 H LYS 46 -22.674 24.127 0.862 361 HA LYS 46 HA LYS 46 -22.468 25.498 -1.776 362 HB2 LYS 46 1HB LYS 46 -22.935 26.565 1.014 363 HB3 LYS 46 2HB LYS 46 -22.911 27.530 -0.481 364 HG2 LYS 46 1HG LYS 46 -24.882 26.350 -1.309 365 HG3 LYS 46 2HG LYS 46 -24.885 25.305 0.132 366 HD2 LYS 46 1HD LYS 46 -25.278 27.253 1.566 367 HD3 LYS 46 2HD LYS 46 -25.225 28.324 0.145 368 HE2 LYS 46 1HE LYS 46 -27.163 27.071 -0.805 369 HE3 LYS 46 2HE LYS 46 -27.253 26.139 0.707 370 HZ1 LYS 46 3HZ LYS 46 -27.566 29.064 0.476 371 HZ2 LYS 46 1HZ LYS 46 -28.791 27.984 0.707 372 HZ3 LYS 46 2HZ LYS 46 -27.650 28.199 1.878 373 H GLN 47 H GLN 47 -20.456 25.462 -2.496 374 HA GLN 47 HA GLN 47 -18.095 25.405 -0.961 375 HB2 GLN 47 1HB GLN 47 -18.280 25.017 -3.410 376 HB3 GLN 47 2HB GLN 47 -18.519 26.767 -3.634 377 HG2 GLN 47 1HG GLN 47 -16.013 27.046 -2.617 378 HG3 GLN 47 2HG GLN 47 -16.287 25.288 -2.547 379 HE21 GLN 47 2HE2 GLN 47 -14.075 26.250 -3.828 380 HE22 GLN 47 1HE2 GLN 47 -14.237 26.045 -5.541 381 H ILE 48 H ILE 48 -16.967 26.744 0.206 382 HA ILE 48 HA ILE 48 -17.888 29.597 0.332 383 HB ILE 48 HB ILE 48 -16.231 27.920 2.273 384 HG12 ILE 48 1HG1 ILE 48 -18.993 29.054 2.610 385 HG13 ILE 48 2HG1 ILE 48 -18.641 27.385 2.104 386 HG21 ILE 48 1HG2 ILE 48 -16.408 29.879 3.770 387 HG22 ILE 48 2HG2 ILE 48 -15.552 30.297 2.268 388 HG23 ILE 48 3HG2 ILE 48 -17.249 30.783 2.489 389 HD11 ILE 48 3HD1 ILE 48 -17.806 28.661 4.732 390 HD12 ILE 48 1HD1 ILE 48 -19.134 27.500 4.516 391 HD13 ILE 48 2HD1 ILE 48 -17.453 26.992 4.227 392 H SER 49 H SER 49 -16.829 31.132 -0.545 393 HA SER 49 HA SER 49 -14.029 30.763 -1.490 394 HB2 SER 49 1HB SER 49 -15.500 31.784 -2.942 395 HB3 SER 49 2HB SER 49 -15.948 33.004 -1.728 396 HG SER 49 HG SER 49 -13.749 33.671 -1.749 397 HA PRO 50 HA PRO 50 -12.226 32.431 2.257 398 HB2 PRO 50 1HB PRO 50 -10.069 33.205 0.255 399 HB3 PRO 50 2HB PRO 50 -9.893 32.326 1.781 400 HG2 PRO 50 1HG PRO 50 -9.728 30.991 -0.522 401 HG3 PRO 50 2HG PRO 50 -10.599 30.271 0.839 402 HD2 PRO 50 1HD PRO 50 -11.734 31.636 -1.635 403 HD3 PRO 50 2HD PRO 50 -12.318 30.192 -0.800 404 H LYS 51 H LYS 51 -12.326 34.283 3.225 405 HA LYS 51 HA LYS 51 -12.766 36.543 3.539 406 HB2 LYS 51 1HB LYS 51 -11.276 36.759 0.919 407 HB3 LYS 51 2HB LYS 51 -11.658 38.107 2.016 408 HG2 LYS 51 1HG LYS 51 -10.264 37.073 3.767 409 HG3 LYS 51 2HG LYS 51 -9.873 35.735 2.661 410 HD2 LYS 51 1HD LYS 51 -8.827 37.324 1.100 411 HD3 LYS 51 2HD LYS 51 -9.223 38.666 2.200 412 HE2 LYS 51 1HE LYS 51 -7.812 37.703 3.936 413 HE3 LYS 51 2HE LYS 51 -7.468 36.294 2.905 414 HZ1 LYS 51 3HZ LYS 51 -6.706 39.080 2.308 415 HZ2 LYS 51 1HZ LYS 51 -5.684 37.899 2.839 416 HZ3 LYS 51 2HZ LYS 51 -6.387 37.774 1.352 417 H SER 52 H SER 52 -14.964 35.378 2.838 418 HA SER 52 HA SER 52 -16.190 36.747 0.467 419 HB2 SER 52 1HB SER 52 -16.499 34.389 0.859 420 HB3 SER 52 2HB SER 52 -17.425 34.809 2.319 421 HG SER 52 HG SER 52 -18.759 34.566 0.482 422 H ASP 53 H ASP 53 -18.766 36.917 1.414 423 HA ASP 53 HA ASP 53 -18.839 39.529 2.519 424 HB2 ASP 53 1HB ASP 53 -21.022 37.356 2.481 425 HB3 ASP 53 2HB ASP 53 -21.113 39.035 3.068 426 H HIS 54 H HIS 54 -19.239 36.383 4.138 427 HA HIS 54 HA HIS 54 -18.529 37.746 6.695 428 HB2 HIS 54 1HB HIS 54 -20.873 35.829 6.314 429 HB3 HIS 54 2HB HIS 54 -20.264 36.410 7.882 430 HD2 HIS 54 HD2 HIS 54 -22.849 37.494 5.173 431 HE1 HIS 54 HE1 HIS 54 -22.130 40.777 7.771 432 HE2 HIS 54 HE2 HIS 54 -23.628 39.769 5.861 433 H TYR 55 H TYR 55 -17.835 35.419 4.479 434 HA TYR 55 HA TYR 55 -16.964 33.422 6.540 435 HB2 TYR 55 1HB TYR 55 -17.515 33.134 3.582 436 HB3 TYR 55 2HB TYR 55 -16.862 31.853 4.633 437 HD1 TYR 55 HD1 TYR 55 -18.770 33.020 6.979 438 HD2 TYR 55 HD2 TYR 55 -19.380 31.518 3.035 439 HE1 TYR 55 HE1 TYR 55 -21.074 32.350 7.599 440 HE2 TYR 55 HE2 TYR 55 -21.681 30.842 3.634 441 HH TYR 55 HH TYR 55 -23.353 31.933 6.216 442 H THR 56 H THR 56 -15.019 34.150 7.163 443 HA THR 56 HA THR 56 -12.988 34.670 5.035 444 HB THR 56 HB THR 56 -12.882 35.149 8.046 445 HG1 THR 56 HG1 THR 56 -12.990 37.366 7.349 446 HG21 THR 56 1HG2 THR 56 -10.809 36.390 7.534 447 HG22 THR 56 2HG2 THR 56 -10.663 34.679 7.065 448 HG23 THR 56 3HG2 THR 56 -10.950 35.922 5.824 449 H ILE 57 H ILE 57 -11.571 33.242 4.464 450 HA ILE 57 HA ILE 57 -11.055 30.927 6.318 451 HB ILE 57 HB ILE 57 -10.859 31.104 3.274 452 HG12 ILE 57 1HG1 ILE 57 -12.685 29.455 5.002 453 HG13 ILE 57 2HG1 ILE 57 -13.130 30.978 4.198 454 HG21 ILE 57 1HG2 ILE 57 -10.286 28.703 3.391 455 HG22 ILE 57 2HG2 ILE 57 -9.080 29.690 4.247 456 HG23 ILE 57 3HG2 ILE 57 -10.303 28.784 5.168 457 HD11 ILE 57 3HD1 ILE 57 -12.238 28.426 2.809 458 HD12 ILE 57 1HD1 ILE 57 -13.909 29.028 2.907 459 HD13 ILE 57 2HD1 ILE 57 -12.683 29.949 2.004 460 H GLN 58 H GLN 58 -9.231 30.803 7.268 461 HA GLN 58 HA GLN 58 -6.853 32.010 5.895 462 HB2 GLN 58 1HB GLN 58 -7.409 31.536 8.827 463 HB3 GLN 58 2HB GLN 58 -5.843 32.057 8.159 464 HG2 GLN 58 1HG GLN 58 -8.423 33.857 8.110 465 HG3 GLN 58 2HG GLN 58 -6.956 33.732 9.107 466 HE21 GLN 58 2HE2 GLN 58 -8.352 35.412 6.654 467 HE22 GLN 58 1HE2 GLN 58 -6.939 35.961 5.817 468 H ARG 59 H ARG 59 -5.828 30.500 4.827 469 HA ARG 59 HA ARG 59 -5.745 27.749 6.003 470 HB2 ARG 59 1HB ARG 59 -6.760 28.009 3.806 471 HB3 ARG 59 2HB ARG 59 -5.194 28.586 3.189 472 HG2 ARG 59 1HG ARG 59 -4.184 26.409 3.888 473 HG3 ARG 59 2HG ARG 59 -5.814 25.844 4.328 474 HD2 ARG 59 1HD ARG 59 -4.883 26.658 1.593 475 HD3 ARG 59 2HD ARG 59 -5.121 24.999 2.187 476 HE ARG 59 HE ARG 59 -7.610 25.445 2.044 477 HH11 ARG 59 1HH1 ARG 59 -5.649 28.065 0.839 478 HH12 ARG 59 2HH1 ARG 59 -7.021 28.688 -0.056 479 HH21 ARG 59 1HH2 ARG 59 -9.193 26.151 1.031 480 HH22 ARG 59 2HH2 ARG 59 -9.042 27.598 0.053 481 H ASP 60 H ASP 60 -4.083 27.762 7.395 482 HA ASP 60 HA ASP 60 -1.425 28.693 6.579 483 HB2 ASP 60 1HB ASP 60 -2.263 28.577 9.048 484 HB3 ASP 60 2HB ASP 60 -2.213 26.827 8.723 485 H LEU 61 H LEU 61 0.177 27.638 5.661 486 HA LEU 61 HA LEU 61 -0.495 25.231 4.207 487 HB2 LEU 61 1HB LEU 61 2.005 26.696 4.740 488 HB3 LEU 61 2HB LEU 61 2.008 25.373 3.551 489 HG LEU 61 HG LEU 61 0.458 27.985 3.367 490 HD11 LEU 61 1HD1 LEU 61 1.932 28.401 1.380 491 HD12 LEU 61 2HD1 LEU 61 2.890 28.205 2.865 492 HD13 LEU 61 3HD1 LEU 61 2.770 26.865 1.699 493 HD21 LEU 61 3HD2 LEU 61 -0.832 26.152 2.445 494 HD22 LEU 61 1HD2 LEU 61 -0.240 27.198 1.132 495 HD23 LEU 61 2HD2 LEU 61 0.554 25.637 1.454 496 H ASP 62 H ASP 62 0.668 25.752 7.359 497 HA ASP 62 HA ASP 62 2.221 23.353 7.702 498 HB2 ASP 62 1HB ASP 62 1.887 25.456 9.348 499 HB3 ASP 62 2HB ASP 62 0.442 24.489 9.732 500 H GLY 63 H GLY 63 -1.217 23.960 7.575 501 HA2 GLY 63 1HA GLY 63 -2.310 21.796 6.705 502 HA3 GLY 63 2HA GLY 63 -1.687 21.076 8.206 503 H THR 64 H THR 64 -2.243 24.012 9.276 504 HA THR 64 HA THR 64 -5.024 23.381 10.139 505 HB THR 64 HB THR 64 -3.042 25.476 11.131 506 HG1 THR 64 HG1 THR 64 -3.949 23.377 12.739 507 HG21 THR 64 1HG2 THR 64 -4.648 25.784 12.982 508 HG22 THR 64 2HG2 THR 64 -5.393 26.182 11.415 509 HG23 THR 64 3HG2 THR 64 -5.761 24.632 12.208 510 H CYS 65 H CYS 65 -6.742 24.331 9.401 511 HA CYS 65 HA CYS 65 -6.471 27.042 8.059 512 HB2 CYS 65 1HB CYS 65 -6.621 25.043 6.529 513 HB3 CYS 65 2HB CYS 65 -8.184 24.645 7.284 514 HG CYS 65 HG CYS 65 -8.482 25.579 4.919 515 H SER 66 H SER 66 -7.798 28.521 8.900 516 HA SER 66 HA SER 66 -9.920 27.656 10.869 517 HB2 SER 66 1HB SER 66 -8.275 28.930 11.838 518 HB3 SER 66 2HB SER 66 -8.419 30.184 10.586 519 HG SER 66 HG SER 66 -9.591 30.689 12.488 520 H LEU 67 H LEU 67 -12.008 28.217 10.578 521 HA LEU 67 HA LEU 67 -12.659 30.105 8.339 522 HB2 LEU 67 1HB LEU 67 -13.303 28.008 7.759 523 HB3 LEU 67 2HB LEU 67 -14.153 27.596 9.267 524 HG LEU 67 HG LEU 67 -15.783 29.445 8.760 525 HD11 LEU 67 1HD1 LEU 67 -15.879 30.260 6.389 526 HD12 LEU 67 2HD1 LEU 67 -14.346 30.714 7.167 527 HD13 LEU 67 3HD1 LEU 67 -14.396 29.346 6.031 528 HD21 LEU 67 3HD2 LEU 67 -16.344 27.124 8.335 529 HD22 LEU 67 1HD2 LEU 67 -17.044 28.160 7.068 530 HD23 LEU 67 2HD2 LEU 67 -15.581 27.203 6.730 531 H HIS 68 H HIS 68 -13.372 31.960 8.975 532 HA HIS 68 HA HIS 68 -14.771 32.099 11.626 533 HB2 HIS 68 1HB HIS 68 -12.692 33.387 11.650 534 HB3 HIS 68 2HB HIS 68 -13.148 34.214 10.141 535 HD2 HIS 68 HD2 HIS 68 -14.461 36.666 10.580 536 HE1 HIS 68 HE1 HIS 68 -15.442 35.876 14.637 537 HE2 HIS 68 HE2 HIS 68 -15.468 37.615 12.665 538 H THR 69 H THR 69 -16.823 32.539 11.666 539 HA THR 69 HA THR 69 -18.045 33.934 9.319 540 HB THR 69 HB THR 69 -19.356 32.531 11.688 541 HG1 THR 69 HG1 THR 69 -19.909 30.994 10.027 542 HG21 THR 69 1HG2 THR 69 -21.436 32.802 10.382 543 HG22 THR 69 2HG2 THR 69 -20.718 34.383 10.777 544 HG23 THR 69 3HG2 THR 69 -20.539 33.708 9.140 545 H THR 70 H THR 70 -18.283 36.007 9.355 546 HA THR 70 HA THR 70 -17.661 37.579 11.687 547 HB THR 70 HB THR 70 -19.077 38.368 9.106 548 HG1 THR 70 HG1 THR 70 -16.946 39.156 8.605 549 HG21 THR 70 1HG2 THR 70 -18.430 40.671 9.721 550 HG22 THR 70 2HG2 THR 70 -19.515 39.963 10.941 551 HG23 THR 70 3HG2 THR 70 -17.769 40.073 11.261 552 H ALA 71 H ALA 71 -20.746 36.677 10.165 553 HA ALA 71 HA ALA 71 -22.103 37.391 12.699 554 HB1 ALA 71 3HB ALA 71 -22.916 38.514 9.999 555 HB2 ALA 71 1HB ALA 71 -23.835 38.678 11.512 556 HB3 ALA 71 2HB ALA 71 -22.236 39.437 11.352 557 H SER 72 H SER 72 -22.425 35.209 13.031 558 HA SER 72 HA SER 72 -23.653 33.455 11.006 559 HB2 SER 72 1HB SER 72 -22.094 32.606 12.521 560 HB3 SER 72 2HB SER 72 -23.138 33.048 13.892 561 HG SER 72 HG SER 72 -23.807 31.268 11.785 562 H THR 73 H THR 73 -25.708 34.019 10.415 563 HA THR 73 HA THR 73 -27.690 34.557 12.590 564 HB THR 73 HB THR 73 -29.150 35.426 10.862 565 HG1 THR 73 HG1 THR 73 -27.114 34.534 9.066 566 HG21 THR 73 1HG2 THR 73 -27.800 37.315 10.018 567 HG22 THR 73 2HG2 THR 73 -27.429 36.974 11.725 568 HG23 THR 73 3HG2 THR 73 -26.311 36.443 10.449 569 H LEU 74 H LEU 74 -29.975 33.783 11.888 570 HA LEU 74 HA LEU 74 -29.980 30.965 12.235 571 HB2 LEU 74 1HB LEU 74 -31.692 32.473 12.801 572 HB3 LEU 74 2HB LEU 74 -32.211 32.752 11.122 573 HG LEU 74 HG LEU 74 -32.686 30.288 10.942 574 HD11 LEU 74 1HD1 LEU 74 -32.932 29.013 13.089 575 HD12 LEU 74 2HD1 LEU 74 -31.253 29.544 12.841 576 HD13 LEU 74 3HD1 LEU 74 -32.304 30.420 13.978 577 HD21 LEU 74 3HD2 LEU 74 -34.475 31.886 11.299 578 HD22 LEU 74 1HD2 LEU 74 -34.815 30.385 12.193 579 HD23 LEU 74 2HD2 LEU 74 -34.220 31.822 13.060 580 H ASP 75 H ASP 75 -30.084 32.907 9.296 581 HA ASP 75 HA ASP 75 -30.654 30.641 7.553 582 HB2 ASP 75 1HB ASP 75 -29.561 33.448 6.929 583 HB3 ASP 75 2HB ASP 75 -29.881 32.087 5.827 584 H ASP 76 H ASP 76 -27.852 31.770 9.165 585 HA ASP 76 HA ASP 76 -26.023 30.378 7.287 586 HB2 ASP 76 1HB ASP 76 -25.412 31.884 9.902 587 HB3 ASP 76 2HB ASP 76 -24.334 31.032 8.771 588 H ASP 77 H ASP 77 -28.020 29.534 9.826 589 HA ASP 77 HA ASP 77 -26.414 27.577 11.179 590 HB2 ASP 77 1HB ASP 77 -28.740 28.415 11.949 591 HB3 ASP 77 2HB ASP 77 -29.288 27.504 10.524 592 H GLY 78 H GLY 78 -25.629 25.711 10.625 593 HA2 GLY 78 1HA GLY 78 -26.766 23.667 9.182 594 HA3 GLY 78 2HA GLY 78 -26.073 24.711 7.918 595 H ASN 79 H ASN 79 -24.731 22.817 7.441 596 HA ASN 79 HA ASN 79 -22.616 22.275 9.497 597 HB2 ASN 79 1HB ASN 79 -23.282 20.356 7.152 598 HB3 ASN 79 2HB ASN 79 -22.179 20.439 8.546 599 HD21 ASN 79 2HD2 ASN 79 -25.210 19.485 7.407 600 HD22 ASN 79 1HD2 ASN 79 -25.920 19.031 8.922 601 H TYR 80 H TYR 80 -20.907 23.476 9.228 602 HA TYR 80 HA TYR 80 -20.014 24.261 6.525 603 HB2 TYR 80 1HB TYR 80 -18.892 24.748 9.291 604 HB3 TYR 80 2HB TYR 80 -18.176 25.366 7.783 605 HD1 TYR 80 HD1 TYR 80 -21.317 25.456 9.816 606 HD2 TYR 80 HD2 TYR 80 -18.906 27.414 6.892 607 HE1 TYR 80 HE1 TYR 80 -22.802 27.434 9.927 608 HE2 TYR 80 HE2 TYR 80 -20.380 29.399 6.992 609 HH TYR 80 HH TYR 80 -23.424 29.403 8.661 610 H THR 81 H THR 81 -19.783 21.986 5.854 611 HA THR 81 HA THR 81 -17.911 20.255 7.206 612 HB THR 81 HB THR 81 -18.940 20.126 4.341 613 HG1 THR 81 HG1 THR 81 -20.434 18.623 5.301 614 HG21 THR 81 1HG2 THR 81 -18.356 17.732 4.505 615 HG22 THR 81 2HG2 THR 81 -16.918 18.758 4.724 616 HG23 THR 81 3HG2 THR 81 -17.696 18.005 6.135 617 H ILE 82 H ILE 82 -15.817 19.996 7.084 618 HA ILE 82 HA ILE 82 -14.326 21.491 4.950 619 HB ILE 82 HB ILE 82 -13.424 22.112 7.068 620 HG12 ILE 82 1HG1 ILE 82 -11.776 19.790 6.099 621 HG13 ILE 82 2HG1 ILE 82 -11.796 21.420 5.385 622 HG21 ILE 82 1HG2 ILE 82 -12.861 20.467 8.826 623 HG22 ILE 82 2HG2 ILE 82 -14.591 20.404 8.422 624 HG23 ILE 82 3HG2 ILE 82 -13.489 19.155 7.800 625 HD11 ILE 82 3HD1 ILE 82 -10.935 20.728 8.217 626 HD12 ILE 82 1HD1 ILE 82 -9.848 21.120 6.864 627 HD13 ILE 82 2HD1 ILE 82 -10.955 22.358 7.503 628 H MET 83 H MET 83 -12.931 20.586 3.598 629 HA MET 83 HA MET 83 -12.629 17.627 3.670 630 HB2 MET 83 1HB MET 83 -14.646 18.030 2.381 631 HB3 MET 83 2HB MET 83 -13.773 19.195 1.356 632 HG2 MET 83 1HG MET 83 -12.357 17.429 0.484 633 HG3 MET 83 2HG MET 83 -13.103 16.246 1.585 634 HE1 MET 83 3HE MET 83 -13.477 18.389 -1.660 635 HE2 MET 83 1HE MET 83 -15.202 18.199 -2.055 636 HE3 MET 83 2HE MET 83 -14.716 19.130 -0.617 637 H ALA 84 H ALA 84 -10.636 17.076 3.341 638 HA ALA 84 HA ALA 84 -8.809 19.031 2.068 639 HB1 ALA 84 3HB ALA 84 -8.246 16.416 3.506 640 HB2 ALA 84 1HB ALA 84 -7.020 17.551 2.894 641 HB3 ALA 84 2HB ALA 84 -8.115 18.046 4.205 642 H ALA 85 H ALA 85 -10.107 18.551 0.034 643 HA ALA 85 HA ALA 85 -9.715 15.959 -1.207 644 HB1 ALA 85 3HB ALA 85 -10.634 18.601 -2.389 645 HB2 ALA 85 1HB ALA 85 -10.739 17.015 -3.184 646 HB3 ALA 85 2HB ALA 85 -11.682 17.333 -1.710 647 H ASN 86 H ASN 86 -8.195 15.235 -2.524 648 HA ASN 86 HA ASN 86 -6.517 17.099 -4.062 649 HB2 ASN 86 1HB ASN 86 -4.344 16.607 -2.969 650 HB3 ASN 86 2HB ASN 86 -5.718 16.866 -1.868 651 HD21 ASN 86 2HD2 ASN 86 -6.439 15.245 -0.589 652 HD22 ASN 86 1HD2 ASN 86 -5.613 13.735 -0.397 653 HA PRO 87 HA PRO 87 -6.231 14.093 -7.085 654 HB2 PRO 87 1HB PRO 87 -3.206 13.897 -6.744 655 HB3 PRO 87 2HB PRO 87 -4.130 14.240 -8.213 656 HG2 PRO 87 1HG PRO 87 -2.867 16.233 -6.975 657 HG3 PRO 87 2HG PRO 87 -4.490 16.508 -7.622 658 HD2 PRO 87 1HD PRO 87 -3.645 16.053 -4.736 659 HD3 PRO 87 2HD PRO 87 -4.886 17.139 -5.371 660 H GLN 88 H GLN 88 -4.532 13.329 -4.122 661 HA GLN 88 HA GLN 88 -4.378 10.467 -4.932 662 HB2 GLN 88 1HB GLN 88 -3.294 11.877 -2.486 663 HB3 GLN 88 2HB GLN 88 -2.967 10.200 -2.982 664 HG2 GLN 88 1HG GLN 88 -1.803 12.728 -4.438 665 HG3 GLN 88 2HG GLN 88 -1.213 11.419 -3.387 666 HE21 GLN 88 2HE2 GLN 88 -1.427 12.468 -6.522 667 HE22 GLN 88 1HE2 GLN 88 -1.277 10.953 -7.348 668 H GLY 89 H GLY 89 -6.625 12.399 -3.575 669 HA2 GLY 89 1HA GLY 89 -8.567 10.721 -2.987 670 HA3 GLY 89 2HA GLY 89 -7.519 10.368 -1.594 671 H ARG 90 H ARG 90 -9.699 11.122 -0.624 672 HA ARG 90 HA ARG 90 -9.339 13.933 0.223 673 HB2 ARG 90 1HB ARG 90 -11.511 14.652 -0.226 674 HB3 ARG 90 2HB ARG 90 -10.697 14.168 -1.732 675 HG2 ARG 90 1HG ARG 90 -11.951 12.044 -1.714 676 HG3 ARG 90 2HG ARG 90 -12.783 12.559 -0.228 677 HD2 ARG 90 1HD ARG 90 -13.723 14.452 -1.459 678 HD3 ARG 90 2HD ARG 90 -12.963 13.826 -2.940 679 HE ARG 90 HE ARG 90 -14.745 11.779 -1.920 680 HH11 ARG 90 1HH1 ARG 90 -14.944 14.974 -3.302 681 HH12 ARG 90 2HH1 ARG 90 -16.512 14.589 -3.983 682 HH21 ARG 90 1HH2 ARG 90 -16.544 11.325 -2.685 683 HH22 ARG 90 2HH2 ARG 90 -17.426 12.509 -3.630 684 H VAL 91 H VAL 91 -10.435 14.496 2.114 685 HA VAL 91 HA VAL 91 -12.131 12.470 3.455 686 HB VAL 91 HB VAL 91 -9.746 11.868 4.103 687 HG11 VAL 91 1HG1 VAL 91 -8.600 13.394 5.675 688 HG12 VAL 91 2HG1 VAL 91 -8.817 14.159 4.083 689 HG13 VAL 91 3HG1 VAL 91 -9.883 14.604 5.437 690 HG21 VAL 91 3HG2 VAL 91 -11.638 11.288 5.501 691 HG22 VAL 91 1HG2 VAL 91 -10.231 11.734 6.494 692 HG23 VAL 91 2HG2 VAL 91 -11.573 12.885 6.285 693 H SER 92 H SER 92 -13.483 13.247 4.960 694 HA SER 92 HA SER 92 -13.677 16.277 4.977 695 HB2 SER 92 1HB SER 92 -15.910 16.189 4.471 696 HB3 SER 92 2HB SER 92 -14.960 15.388 3.199 697 HG SER 92 HG SER 92 -16.848 14.223 3.765 698 H CYS 93 H CYS 93 -14.948 17.139 6.669 699 HA CYS 93 HA CYS 93 -15.901 15.305 8.852 700 HB2 CYS 93 1HB CYS 93 -13.502 15.798 9.232 701 HB3 CYS 93 2HB CYS 93 -13.842 17.542 9.104 702 HG CYS 93 HG CYS 93 -14.998 15.398 11.283 703 H THR 94 H THR 94 -17.700 16.082 9.806 704 HA THR 94 HA THR 94 -19.028 18.320 8.513 705 HB THR 94 HB THR 94 -19.846 16.750 10.991 706 HG1 THR 94 HG1 THR 94 -21.135 15.596 9.437 707 HG21 THR 94 1HG2 THR 94 -22.115 17.547 10.427 708 HG22 THR 94 2HG2 THR 94 -21.018 18.912 10.742 709 HG23 THR 94 3HG2 THR 94 -21.449 18.484 9.070 710 H GLY 95 H GLY 95 -19.132 20.363 9.002 711 HA2 GLY 95 1HA GLY 95 -17.958 21.233 11.601 712 HA3 GLY 95 2HA GLY 95 -18.139 22.242 10.148 713 H ARG 96 H ARG 96 -20.297 20.201 12.166 714 HA ARG 96 HA ARG 96 -22.674 21.629 11.621 715 HB2 ARG 96 1HB ARG 96 -22.609 19.441 12.623 716 HB3 ARG 96 2HB ARG 96 -21.995 20.159 14.131 717 HG2 ARG 96 1HG ARG 96 -24.049 21.409 14.427 718 HG3 ARG 96 2HG ARG 96 -24.657 20.845 12.852 719 HD2 ARG 96 1HD ARG 96 -24.661 18.559 13.716 720 HD3 ARG 96 2HD ARG 96 -24.157 19.188 15.301 721 HE ARG 96 HE ARG 96 -26.704 20.405 14.536 722 HH11 ARG 96 1HH1 ARG 96 -25.387 17.367 15.630 723 HH12 ARG 96 2HH1 ARG 96 -26.915 16.971 16.391 724 HH21 ARG 96 1HH2 ARG 96 -28.463 19.963 15.394 725 HH22 ARG 96 2HH2 ARG 96 -28.670 18.451 16.256 726 H LEU 97 H LEU 97 -23.045 23.694 11.826 727 HA LEU 97 HA LEU 97 -22.510 24.877 14.528 728 HB2 LEU 97 1HB LEU 97 -21.094 25.849 13.065 729 HB3 LEU 97 2HB LEU 97 -22.271 26.190 11.776 730 HG LEU 97 HG LEU 97 -23.443 27.746 13.369 731 HD11 LEU 97 1HD1 LEU 97 -22.133 28.545 15.352 732 HD12 LEU 97 2HD1 LEU 97 -22.508 26.811 15.481 733 HD13 LEU 97 3HD1 LEU 97 -20.879 27.336 14.992 734 HD21 LEU 97 3HD2 LEU 97 -21.974 28.596 11.638 735 HD22 LEU 97 1HD2 LEU 97 -21.817 29.587 13.107 736 HD23 LEU 97 2HD2 LEU 97 -20.559 28.393 12.698 737 H MET 98 H MET 98 -24.322 24.902 15.596 738 HA MET 98 HA MET 98 -26.865 25.455 14.133 739 HB2 MET 98 1HB MET 98 -26.332 24.587 16.974 740 HB3 MET 98 2HB MET 98 -27.934 24.800 16.228 741 HG2 MET 98 1HG MET 98 -25.832 22.791 15.362 742 HG3 MET 98 2HG MET 98 -27.256 22.424 16.364 743 HE1 MET 98 3HE MET 98 -29.592 24.050 15.127 744 HE2 MET 98 1HE MET 98 -30.230 22.918 13.910 745 HE3 MET 98 2HE MET 98 -29.703 22.313 15.500 746 H VAL 99 H VAL 99 -28.189 27.124 14.522 747 HA VAL 99 HA VAL 99 -27.035 29.348 16.210 748 HB VAL 99 HB VAL 99 -28.592 29.576 13.601 749 HG11 VAL 99 1HG1 VAL 99 -28.061 31.982 13.808 750 HG12 VAL 99 2HG1 VAL 99 -29.018 31.416 15.196 751 HG13 VAL 99 3HG1 VAL 99 -27.265 31.672 15.368 752 HG21 VAL 99 3HG2 VAL 99 -26.350 28.759 13.188 753 HG22 VAL 99 1HG2 VAL 99 -26.519 30.446 12.646 754 HG23 VAL 99 2HG2 VAL 99 -25.667 30.080 14.165 755 H GLN 100 H GLN 100 -28.151 29.944 17.839 756 HA GLN 100 HA GLN 100 -31.011 29.263 18.031 757 HB2 GLN 100 1HB GLN 100 -29.735 29.092 20.029 758 HB3 GLN 100 2HB GLN 100 -29.051 30.719 19.803 759 HG2 GLN 100 1HG GLN 100 -30.917 31.064 21.553 760 HG3 GLN 100 2HG GLN 100 -31.241 31.543 19.870 761 HE21 GLN 100 2HE2 GLN 100 -33.472 31.414 20.062 762 HE22 GLN 100 1HE2 GLN 100 -34.311 29.910 20.244 763 H ALA 101 H ALA 101 -32.554 30.375 17.170 764 HA ALA 101 HA ALA 101 -32.196 32.973 16.034 765 HB1 ALA 101 3HB ALA 101 -34.750 31.559 16.869 766 HB2 ALA 101 1HB ALA 101 -34.650 32.980 15.806 767 HB3 ALA 101 2HB ALA 101 -33.950 31.428 15.286 768 H VAL 102 H VAL 102 -32.446 34.981 16.742 769 HA VAL 102 HA VAL 102 -33.271 35.341 19.623 770 HB VAL 102 HB VAL 102 -31.264 36.954 18.002 771 HG11 VAL 102 1HG1 VAL 102 -30.853 38.109 20.149 772 HG12 VAL 102 2HG1 VAL 102 -32.543 38.304 19.631 773 HG13 VAL 102 3HG1 VAL 102 -32.135 37.141 20.915 774 HG21 VAL 102 3HG2 VAL 102 -30.360 34.787 18.595 775 HG22 VAL 102 1HG2 VAL 102 -29.591 36.075 19.550 776 HG23 VAL 102 2HG2 VAL 102 -30.827 35.035 20.295 777 H ASN 103 H ASN 103 -35.132 36.207 19.857 778 HA ASN 103 HA ASN 103 -36.462 37.530 17.627 779 HB2 ASN 103 1HB ASN 103 -37.499 37.238 20.546 780 HB3 ASN 103 2HB ASN 103 -38.077 38.028 19.059 781 HD21 ASN 103 2HD2 ASN 103 -39.105 35.762 20.698 782 HD22 ASN 103 1HD2 ASN 103 -39.330 34.464 19.575 783 H GLN 104 H GLN 104 -34.388 38.586 20.146 784 HA GLN 104 HA GLN 104 -35.386 41.377 20.009 785 HB2 GLN 104 1HB GLN 104 -33.041 40.149 21.477 786 HB3 GLN 104 2HB GLN 104 -33.620 41.824 21.639 787 HG2 GLN 104 1HG GLN 104 -35.174 39.316 22.720 788 HG3 GLN 104 2HG GLN 104 -34.220 40.662 23.387 789 HE21 GLN 104 2HE2 GLN 104 -37.296 39.559 22.753 790 HE22 GLN 104 1HE2 GLN 104 -38.146 41.068 22.754 791 H ARG 105 H ARG 105 -33.427 39.444 18.161 792 HA ARG 105 HA ARG 105 -31.291 41.316 17.564 793 HB2 ARG 105 1HB ARG 105 -31.000 38.991 17.197 794 HB3 ARG 105 2HB ARG 105 -32.318 38.990 16.002 795 HG2 ARG 105 1HG ARG 105 -30.230 38.986 14.812 796 HG3 ARG 105 2HG ARG 105 -30.984 40.587 14.619 797 HD2 ARG 105 1HD ARG 105 -28.671 40.878 14.945 798 HD3 ARG 105 2HD ARG 105 -29.516 41.417 16.416 799 HE ARG 105 HE ARG 105 -28.420 38.686 16.715 800 HH11 ARG 105 1HH1 ARG 105 -27.606 42.072 16.899 801 HH12 ARG 105 2HH1 ARG 105 -26.324 41.708 18.037 802 HH21 ARG 105 1HH2 ARG 105 -26.950 38.253 18.012 803 HH22 ARG 105 2HH2 ARG 105 -25.949 39.530 18.672 804 H GLY 106 H GLY 106 -31.585 43.238 16.769 805 HA2 GLY 106 1HA GLY 106 -33.997 43.955 15.333 806 HA3 GLY 106 2HA GLY 106 -32.579 44.995 15.623 807 H ARG 107 H ARG 107 -31.025 42.549 14.410 808 HA ARG 107 HA ARG 107 -31.119 43.617 11.642 809 HB2 ARG 107 1HB ARG 107 -29.209 41.744 12.968 810 HB3 ARG 107 2HB ARG 107 -29.149 42.254 11.266 811 HG2 ARG 107 1HG ARG 107 -28.875 44.597 11.992 812 HG3 ARG 107 2HG ARG 107 -28.891 44.061 13.689 813 HD2 ARG 107 1HD ARG 107 -26.878 42.768 13.283 814 HD3 ARG 107 2HD ARG 107 -26.856 43.346 11.602 815 HE ARG 107 HE ARG 107 -26.691 45.674 13.301 816 HH11 ARG 107 1HH1 ARG 107 -24.766 42.852 12.601 817 HH12 ARG 107 2HH1 ARG 107 -23.305 43.757 12.939 818 HH21 ARG 107 1HH2 ARG 107 -25.027 46.722 13.700 819 HH22 ARG 107 2HH2 ARG 107 -23.451 45.965 13.567 820 H SER 108 H SER 108 -32.789 41.332 13.291 821 HA SER 108 HA SER 108 -32.805 39.058 11.474 822 HB2 SER 108 1HB SER 108 -34.774 40.011 13.460 823 HB3 SER 108 2HB SER 108 -34.871 38.507 12.516 824 HG SER 108 HG SER 108 -32.875 37.904 13.444 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 5.772 0.428 3.639 2 H2 GLY 1 2H GLY 1 5.436 -0.391 2.428 3 H3 GLY 1 3H GLY 1 5.960 1.005 2.269 4 HA2 GLY 1 1HA GLY 1 3.217 0.285 2.412 5 HA3 GLY 1 2HA GLY 1 3.615 1.255 3.850 6 H GLY 2 H GLY 2 2.332 1.450 0.856 7 HA2 GLY 2 1HA GLY 2 1.816 3.234 -0.520 8 HA3 GLY 2 2HA GLY 2 2.416 4.309 0.766 9 H SER 3 H SER 3 3.921 5.643 0.039 10 HA SER 3 HA SER 3 6.403 4.797 -1.223 11 HB2 SER 3 1HB SER 3 5.111 4.182 -3.048 12 HB3 SER 3 2HB SER 3 4.346 5.786 -3.107 13 HG SER 3 HG SER 3 6.100 5.586 -4.565 14 H ASN 4 H ASN 4 6.677 6.330 0.709 15 HA ASN 4 HA ASN 4 7.200 8.435 1.549 16 HB2 ASN 4 1HB ASN 4 8.701 8.352 -0.796 17 HB3 ASN 4 2HB ASN 4 7.279 9.377 -1.108 18 HD21 ASN 4 2HD2 ASN 4 8.988 10.954 -1.550 19 HD22 ASN 4 1HD2 ASN 4 9.602 11.891 -0.229 20 H ALA 5 H ALA 5 4.517 7.990 1.431 21 HA ALA 5 HA ALA 5 3.528 10.740 1.182 22 HB1 ALA 5 3HB ALA 5 2.340 8.519 -0.515 23 HB2 ALA 5 1HB ALA 5 1.661 10.149 -0.314 24 HB3 ALA 5 2HB ALA 5 3.233 9.936 -1.116 25 H THR 6 H THR 6 1.453 11.066 2.116 26 HA THR 6 HA THR 6 0.518 8.824 3.856 27 HB THR 6 HB THR 6 1.090 11.656 4.820 28 HG1 THR 6 HG1 THR 6 2.665 10.539 6.117 29 HG21 THR 6 1HG2 THR 6 0.459 10.754 7.032 30 HG22 THR 6 2HG2 THR 6 -0.892 10.627 5.879 31 HG23 THR 6 3HG2 THR 6 0.072 9.187 6.282 32 H ALA 7 H ALA 7 -1.569 8.568 3.934 33 HA ALA 7 HA ALA 7 -3.297 10.122 2.276 34 HB1 ALA 7 3HB ALA 7 -3.982 8.228 4.545 35 HB2 ALA 7 1HB ALA 7 -5.115 8.827 3.315 36 HB3 ALA 7 2HB ALA 7 -3.759 7.780 2.838 37 HA PRO 8 HA PRO 8 -4.440 13.536 4.766 38 HB2 PRO 8 1HB PRO 8 -7.093 13.845 3.961 39 HB3 PRO 8 2HB PRO 8 -5.741 14.332 2.931 40 HG2 PRO 8 1HG PRO 8 -7.364 11.769 2.861 41 HG3 PRO 8 2HG PRO 8 -6.842 12.791 1.515 42 HD2 PRO 8 1HD PRO 8 -5.484 10.514 2.113 43 HD3 PRO 8 2HD PRO 8 -4.609 11.950 1.568 44 H PHE 9 H PHE 9 -5.353 14.075 6.641 45 HA PHE 9 HA PHE 9 -7.361 12.388 7.927 46 HB2 PHE 9 1HB PHE 9 -5.463 10.873 8.206 47 HB3 PHE 9 2HB PHE 9 -4.461 12.198 8.839 48 HD1 PHE 9 HD1 PHE 9 -7.531 10.221 9.520 49 HD2 PHE 9 HD2 PHE 9 -4.402 12.666 11.094 50 HE1 PHE 9 HE1 PHE 9 -8.263 9.676 11.818 51 HE2 PHE 9 HE2 PHE 9 -5.128 12.121 13.393 52 HZ PHE 9 HZ PHE 9 -7.061 10.626 13.755 53 H PHE 10 H PHE 10 -8.346 13.367 9.558 54 HA PHE 10 HA PHE 10 -7.422 16.105 10.246 55 HB2 PHE 10 1HB PHE 10 -9.982 14.571 10.874 56 HB3 PHE 10 2HB PHE 10 -9.640 16.228 11.420 57 HD1 PHE 10 HD2 PHE 10 -9.267 18.012 9.687 58 HD2 PHE 10 HD1 PHE 10 -10.873 14.159 8.778 59 HE1 PHE 10 HE2 PHE 10 -10.210 18.904 7.583 60 HE2 PHE 10 HE1 PHE 10 -11.815 15.046 6.672 61 HZ PHE 10 HZ PHE 10 -11.484 17.420 6.074 62 H GLU 11 H GLU 11 -5.731 15.972 11.586 63 HA GLU 11 HA GLU 11 -5.808 14.275 13.977 64 HB2 GLU 11 1HB GLU 11 -3.741 15.328 14.553 65 HB3 GLU 11 2HB GLU 11 -3.713 14.844 12.840 66 HG2 GLU 11 1HG GLU 11 -4.136 17.263 12.190 67 HG3 GLU 11 2HG GLU 11 -4.214 17.579 13.939 68 H MET 12 H MET 12 -6.990 17.392 13.109 69 HA MET 12 HA MET 12 -8.177 17.470 15.842 70 HB2 MET 12 1HB MET 12 -6.298 19.050 15.809 71 HB3 MET 12 2HB MET 12 -7.025 19.859 14.400 72 HG2 MET 12 1HG MET 12 -8.997 20.436 15.764 73 HG3 MET 12 2HG MET 12 -8.241 19.653 17.173 74 HE1 MET 12 3HE MET 12 -8.584 22.817 15.028 75 HE2 MET 12 1HE MET 12 -7.048 23.684 15.270 76 HE3 MET 12 2HE MET 12 -7.082 22.181 14.315 77 H LYS 13 H LYS 13 -10.228 17.102 15.509 78 HA LYS 13 HA LYS 13 -11.423 17.942 12.919 79 HB2 LYS 13 1HB LYS 13 -12.394 16.124 15.125 80 HB3 LYS 13 2HB LYS 13 -13.305 16.509 13.645 81 HG2 LYS 13 1HG LYS 13 -11.503 15.499 12.288 82 HG3 LYS 13 2HG LYS 13 -10.625 15.083 13.780 83 HD2 LYS 13 1HD LYS 13 -12.514 13.678 14.501 84 HD3 LYS 13 2HD LYS 13 -13.393 14.094 13.011 85 HE2 LYS 13 1HE LYS 13 -11.603 13.073 11.670 86 HE3 LYS 13 2HE LYS 13 -10.727 12.653 13.160 87 HZ1 LYS 13 3HZ LYS 13 -13.395 11.649 12.399 88 HZ2 LYS 13 1HZ LYS 13 -11.988 10.792 12.315 89 HZ3 LYS 13 2HZ LYS 13 -12.583 11.260 13.782 90 H LEU 14 H LEU 14 -13.709 18.654 12.943 91 HA LEU 14 HA LEU 14 -13.972 20.930 14.789 92 HB2 LEU 14 1HB LEU 14 -15.619 19.799 12.624 93 HB3 LEU 14 2HB LEU 14 -16.107 21.325 13.397 94 HG LEU 14 HG LEU 14 -13.531 20.870 11.842 95 HD11 LEU 14 1HD1 LEU 14 -14.576 22.374 10.128 96 HD12 LEU 14 2HD1 LEU 14 -15.540 20.898 10.365 97 HD13 LEU 14 3HD1 LEU 14 -16.061 22.430 11.105 98 HD21 LEU 14 3HD2 LEU 14 -13.275 22.509 13.609 99 HD22 LEU 14 1HD2 LEU 14 -13.257 23.319 12.023 100 HD23 LEU 14 2HD2 LEU 14 -14.716 23.388 13.042 101 H LYS 15 H LYS 15 -15.832 21.380 16.042 102 HA LYS 15 HA LYS 15 -17.196 18.893 17.023 103 HB2 LYS 15 1HB LYS 15 -16.566 21.458 18.493 104 HB3 LYS 15 2HB LYS 15 -17.469 20.071 19.149 105 HG2 LYS 15 1HG LYS 15 -15.451 18.659 18.878 106 HG3 LYS 15 2HG LYS 15 -14.555 20.079 18.288 107 HD2 LYS 15 1HD LYS 15 -14.944 21.222 20.431 108 HD3 LYS 15 2HD LYS 15 -15.853 19.811 21.022 109 HE2 LYS 15 1HE LYS 15 -13.843 18.414 20.778 110 HE3 LYS 15 2HE LYS 15 -12.934 19.826 20.195 111 HZ1 LYS 15 3HZ LYS 15 -14.156 19.559 22.867 112 HZ2 LYS 15 1HZ LYS 15 -12.547 19.423 22.530 113 HZ3 LYS 15 2HZ LYS 15 -13.313 20.870 22.325 114 H HIS 16 H HIS 16 -19.276 19.547 18.275 115 HA HIS 16 HA HIS 16 -20.987 21.048 16.403 116 HB2 HIS 16 1HB HIS 16 -21.810 18.961 17.521 117 HB3 HIS 16 2HB HIS 16 -21.675 19.784 19.094 118 HD1 HIS 16 HD1 HIS 16 -24.290 19.131 19.153 119 HD2 HIS 16 HD2 HIS 16 -23.235 22.239 16.510 120 HE1 HIS 16 HE1 HIS 16 -26.379 20.256 18.568 121 H TYR 17 H TYR 17 -21.038 23.148 16.388 122 HA TYR 17 HA TYR 17 -20.301 24.599 18.893 123 HB2 TYR 17 1HB TYR 17 -20.494 25.547 16.027 124 HB3 TYR 17 2HB TYR 17 -19.943 26.507 17.423 125 HD1 TYR 17 HD2 TYR 17 -17.825 25.790 18.618 126 HD2 TYR 17 HD1 TYR 17 -18.980 24.148 14.856 127 HE1 TYR 17 HE2 TYR 17 -15.511 24.995 18.268 128 HE2 TYR 17 HE1 TYR 17 -16.665 23.344 14.488 129 HH TYR 17 HH TYR 17 -14.077 23.897 16.880 130 H LYS 18 H LYS 18 -21.525 26.107 19.849 131 HA LYS 18 HA LYS 18 -24.279 26.504 18.713 132 HB2 LYS 18 1HB LYS 18 -24.204 25.261 20.846 133 HB3 LYS 18 2HB LYS 18 -23.359 26.639 21.591 134 HG2 LYS 18 1HG LYS 18 -25.319 28.070 21.158 135 HG3 LYS 18 2HG LYS 18 -26.165 26.685 20.427 136 HD2 LYS 18 1HD LYS 18 -26.022 25.472 22.569 137 HD3 LYS 18 2HD LYS 18 -25.187 26.864 23.298 138 HE2 LYS 18 1HE LYS 18 -27.147 28.273 22.887 139 HE3 LYS 18 2HE LYS 18 -27.983 26.905 22.118 140 HZ1 LYS 18 3HZ LYS 18 -27.115 27.020 24.936 141 HZ2 LYS 18 1HZ LYS 18 -28.666 27.194 24.402 142 HZ3 LYS 18 2HZ LYS 18 -27.890 25.750 24.223 143 H ILE 19 H ILE 19 -24.744 28.414 17.992 144 HA ILE 19 HA ILE 19 -23.161 30.757 19.009 145 HB ILE 19 HB ILE 19 -23.969 30.289 16.104 146 HG12 ILE 19 1HG1 ILE 19 -21.311 30.215 16.001 147 HG13 ILE 19 2HG1 ILE 19 -21.560 29.479 17.601 148 HG21 ILE 19 1HG2 ILE 19 -22.432 32.179 15.683 149 HG22 ILE 19 2HG2 ILE 19 -23.735 32.651 16.799 150 HG23 ILE 19 3HG2 ILE 19 -22.107 32.305 17.428 151 HD11 ILE 19 3HD1 ILE 19 -22.797 28.527 14.994 152 HD12 ILE 19 1HD1 ILE 19 -21.435 27.759 15.841 153 HD13 ILE 19 2HD1 ILE 19 -23.047 27.791 16.595 154 H PHE 20 H PHE 20 -24.157 32.566 19.411 155 HA PHE 20 HA PHE 20 -27.073 32.644 19.322 156 HB2 PHE 20 1HB PHE 20 -24.916 34.655 20.052 157 HB3 PHE 20 2HB PHE 20 -26.639 35.088 20.001 158 HD1 PHE 20 HD1 PHE 20 -26.997 31.918 20.943 159 HD2 PHE 20 HD2 PHE 20 -25.236 35.516 22.429 160 HE1 PHE 20 HE1 PHE 20 -27.274 31.096 23.258 161 HE2 PHE 20 HE2 PHE 20 -25.509 34.696 24.745 162 HZ PHE 20 HZ PHE 20 -26.530 32.486 25.159 163 H GLU 21 H GLU 21 -28.431 33.686 18.013 164 HA GLU 21 HA GLU 21 -27.725 34.047 15.282 165 HB2 GLU 21 1HB GLU 21 -30.008 33.684 16.176 166 HB3 GLU 21 2HB GLU 21 -29.985 35.350 16.803 167 HG2 GLU 21 1HG GLU 21 -29.759 36.189 14.403 168 HG3 GLU 21 2HG GLU 21 -29.772 34.469 13.954 169 H GLY 22 H GLY 22 -26.440 35.429 14.381 170 HA2 GLY 22 1HA GLY 22 -26.000 37.649 13.623 171 HA3 GLY 22 2HA GLY 22 -26.716 38.293 15.119 172 H MET 23 H MET 23 -24.949 35.854 16.261 173 HA MET 23 HA MET 23 -22.716 37.664 16.986 174 HB2 MET 23 1HB MET 23 -23.923 36.432 18.716 175 HB3 MET 23 2HB MET 23 -23.472 34.898 17.933 176 HG2 MET 23 1HG MET 23 -21.126 35.306 18.397 177 HG3 MET 23 2HG MET 23 -21.506 36.908 19.073 178 HE1 MET 23 3HE MET 23 -19.960 36.057 21.181 179 HE2 MET 23 1HE MET 23 -20.358 34.617 22.149 180 HE3 MET 23 2HE MET 23 -19.808 34.435 20.465 181 HA PRO 24 HA PRO 24 -19.940 35.797 14.092 182 HB2 PRO 24 1HB PRO 24 -17.630 36.911 15.146 183 HB3 PRO 24 2HB PRO 24 -18.743 37.871 14.163 184 HG2 PRO 24 1HG PRO 24 -18.518 37.717 17.188 185 HG3 PRO 24 2HG PRO 24 -18.685 39.144 16.158 186 HD2 PRO 24 1HD PRO 24 -20.847 38.096 17.449 187 HD3 PRO 24 2HD PRO 24 -21.020 38.806 15.839 188 H VAL 25 H VAL 25 -18.476 34.179 14.006 189 HA VAL 25 HA VAL 25 -17.605 32.891 16.546 190 HB VAL 25 HB VAL 25 -19.835 31.877 16.109 191 HG11 VAL 25 1HG1 VAL 25 -20.166 30.531 14.062 192 HG12 VAL 25 2HG1 VAL 25 -19.912 32.247 13.665 193 HG13 VAL 25 3HG1 VAL 25 -18.587 31.077 13.448 194 HG21 VAL 25 3HG2 VAL 25 -18.093 30.537 17.127 195 HG22 VAL 25 1HG2 VAL 25 -19.115 29.543 16.062 196 HG23 VAL 25 2HG2 VAL 25 -17.498 30.054 15.521 197 H THR 26 H THR 26 -15.722 31.997 16.462 198 HA THR 26 HA THR 26 -14.539 31.541 13.740 199 HB THR 26 HB THR 26 -13.115 32.224 16.346 200 HG1 THR 26 HG1 THR 26 -12.646 34.184 15.177 201 HG21 THR 26 1HG2 THR 26 -11.105 32.372 14.917 202 HG22 THR 26 2HG2 THR 26 -11.806 30.735 14.870 203 HG23 THR 26 3HG2 THR 26 -12.066 31.855 13.511 204 H PHE 27 H PHE 27 -13.962 29.604 13.177 205 HA PHE 27 HA PHE 27 -13.205 27.630 15.269 206 HB2 PHE 27 1HB PHE 27 -14.698 25.905 14.198 207 HB3 PHE 27 2HB PHE 27 -15.596 27.199 15.023 208 HD1 PHE 27 HD2 PHE 27 -16.677 28.983 13.694 209 HD2 PHE 27 HD1 PHE 27 -14.945 25.509 11.907 210 HE1 PHE 27 HE2 PHE 27 -17.978 29.396 11.632 211 HE2 PHE 27 HE1 PHE 27 -16.244 25.921 9.844 212 HZ PHE 27 HZ PHE 27 -17.759 27.865 9.706 213 H THR 28 H THR 28 -12.153 25.737 14.426 214 HA THR 28 HA THR 28 -10.869 26.106 11.786 215 HB THR 28 HB THR 28 -9.633 27.685 13.296 216 HG1 THR 28 HG1 THR 28 -7.586 26.805 12.734 217 HG21 THR 28 1HG2 THR 28 -8.221 26.730 15.083 218 HG22 THR 28 2HG2 THR 28 -9.948 26.453 15.415 219 HG23 THR 28 3HG2 THR 28 -8.937 25.128 14.793 220 H CYS 29 H CYS 29 -9.353 24.442 11.253 221 HA CYS 29 HA CYS 29 -9.552 21.919 12.890 222 HB2 CYS 29 1HB CYS 29 -11.529 22.193 11.352 223 HB3 CYS 29 2HB CYS 29 -10.393 22.252 9.983 224 HG CYS 29 HG CYS 29 -9.384 19.933 10.370 225 H ARG 30 H ARG 30 -7.910 20.460 12.453 226 HA ARG 30 HA ARG 30 -5.706 21.513 10.709 227 HB2 ARG 30 1HB ARG 30 -5.262 22.012 13.022 228 HB3 ARG 30 2HB ARG 30 -5.391 20.281 13.411 229 HG2 ARG 30 1HG ARG 30 -3.473 19.805 11.956 230 HG3 ARG 30 2HG ARG 30 -3.350 21.533 11.545 231 HD2 ARG 30 1HD ARG 30 -2.747 22.078 13.770 232 HD3 ARG 30 2HD ARG 30 -3.050 20.410 14.310 233 HE ARG 30 HE ARG 30 -0.840 19.811 13.339 234 HH11 ARG 30 1HH1 ARG 30 -1.678 23.108 12.569 235 HH12 ARG 30 2HH1 ARG 30 -0.022 23.423 12.093 236 HH21 ARG 30 1HH2 ARG 30 1.058 20.156 12.789 237 HH22 ARG 30 2HH2 ARG 30 1.540 21.741 12.217 238 H VAL 31 H VAL 31 -4.700 20.161 9.413 239 HA VAL 31 HA VAL 31 -5.460 17.245 9.588 240 HB VAL 31 HB VAL 31 -5.157 17.176 7.135 241 HG11 VAL 31 1HG1 VAL 31 -7.188 18.431 6.497 242 HG12 VAL 31 2HG1 VAL 31 -7.419 17.584 8.045 243 HG13 VAL 31 3HG1 VAL 31 -7.110 19.336 8.027 244 HG21 VAL 31 3HG2 VAL 31 -3.550 18.975 6.899 245 HG22 VAL 31 1HG2 VAL 31 -4.952 19.235 5.836 246 HG23 VAL 31 2HG2 VAL 31 -4.794 20.169 7.342 247 H ALA 32 H ALA 32 -3.966 15.747 8.649 248 HA ALA 32 HA ALA 32 -1.156 16.689 8.584 249 HB1 ALA 32 3HB ALA 32 -2.128 14.461 10.410 250 HB2 ALA 32 1HB ALA 32 -0.428 14.902 10.115 251 HB3 ALA 32 2HB ALA 32 -1.517 16.053 10.926 252 H GLY 33 H GLY 33 -1.657 16.287 6.309 253 HA2 GLY 33 1HA GLY 33 -1.306 13.376 5.683 254 HA3 GLY 33 2HA GLY 33 -2.148 14.528 4.617 255 H ASN 34 H ASN 34 -0.380 13.324 3.236 256 HA ASN 34 HA ASN 34 1.694 15.349 2.766 257 HB2 ASN 34 3HB ASN 34 2.680 13.715 4.531 258 HB3 ASN 34 2HB ASN 34 2.513 12.411 3.379 259 HD21 ASN 34 2HD2 ASN 34 4.914 13.114 4.583 260 HD22 ASN 34 1HD2 ASN 34 5.994 13.672 3.197 261 HA PRO 35 HA PRO 35 2.273 16.365 1.420 262 HB2 PRO 35 1HB PRO 35 0.511 17.426 -0.786 263 HB3 PRO 35 2HB PRO 35 2.240 17.697 -0.530 264 HG2 PRO 35 1HG PRO 35 1.407 16.107 -2.524 265 HG3 PRO 35 2HG PRO 35 2.857 15.689 -1.603 266 HD2 PRO 35 1HD PRO 35 0.038 14.550 -1.326 267 HD3 PRO 35 2HD PRO 35 1.582 13.691 -1.322 268 H LYS 36 H LYS 36 1.388 18.193 2.385 269 HA LYS 36 HA LYS 36 -0.861 17.587 4.026 270 HB2 LYS 36 1HB LYS 36 0.429 20.227 3.340 271 HB3 LYS 36 2HB LYS 36 -0.800 19.995 4.607 272 HG2 LYS 36 1HG LYS 36 0.725 18.447 5.786 273 HG3 LYS 36 2HG LYS 36 1.957 18.721 4.531 274 HD2 LYS 36 1HD LYS 36 1.940 21.145 5.097 275 HD3 LYS 36 2HD LYS 36 0.792 20.800 6.413 276 HE2 LYS 36 1HE LYS 36 2.439 19.309 7.462 277 HE3 LYS 36 2HE LYS 36 3.585 19.646 6.145 278 HZ1 LYS 36 3HZ LYS 36 2.526 21.638 8.045 279 HZ2 LYS 36 1HZ LYS 36 4.040 20.987 8.084 280 HZ3 LYS 36 2HZ LYS 36 3.589 21.950 6.824 281 HA PRO 37 HA PRO 37 -4.203 18.177 1.256 282 HB2 PRO 37 1HB PRO 37 -5.686 18.601 3.885 283 HB3 PRO 37 2HB PRO 37 -6.085 17.503 2.557 284 HG2 PRO 37 1HG PRO 37 -5.021 16.517 4.796 285 HG3 PRO 37 2HG PRO 37 -4.492 15.886 3.230 286 HD2 PRO 37 1HD PRO 37 -3.046 17.782 5.102 287 HD3 PRO 37 2HD PRO 37 -2.373 16.542 4.040 288 H LYS 38 H LYS 38 -5.227 19.782 0.312 289 HA LYS 38 HA LYS 38 -4.743 22.507 1.378 290 HB2 LYS 38 1HB LYS 38 -6.004 21.526 -1.188 291 HB3 LYS 38 2HB LYS 38 -5.724 23.231 -0.759 292 HG2 LYS 38 1HG LYS 38 -3.301 22.837 -0.723 293 HG3 LYS 38 2HG LYS 38 -3.567 21.123 -1.121 294 HD2 LYS 38 1HD LYS 38 -4.567 21.745 -3.261 295 HD3 LYS 38 2HD LYS 38 -4.398 23.470 -2.859 296 HE2 LYS 38 1HE LYS 38 -1.957 23.218 -2.777 297 HE3 LYS 38 2HE LYS 38 -2.119 21.491 -3.168 298 HZ1 LYS 38 3HZ LYS 38 -2.943 23.727 -4.906 299 HZ2 LYS 38 1HZ LYS 38 -1.596 22.798 -5.113 300 HZ3 LYS 38 2HZ LYS 38 -3.095 22.125 -5.270 301 H ILE 39 H ILE 39 -6.097 22.256 3.246 302 HA ILE 39 HA ILE 39 -8.712 21.294 3.321 303 HB ILE 39 HB ILE 39 -7.473 23.645 4.817 304 HG12 ILE 39 1HG1 ILE 39 -8.120 20.854 5.726 305 HG13 ILE 39 2HG1 ILE 39 -6.527 21.394 5.146 306 HG21 ILE 39 1HG2 ILE 39 -9.382 23.464 6.377 307 HG22 ILE 39 2HG2 ILE 39 -9.930 23.908 4.744 308 HG23 ILE 39 3HG2 ILE 39 -10.127 22.238 5.323 309 HD11 ILE 39 3HD1 ILE 39 -8.001 22.486 7.569 310 HD12 ILE 39 1HD1 ILE 39 -6.616 21.371 7.608 311 HD13 ILE 39 2HD1 ILE 39 -6.409 23.027 6.988 312 H TYR 40 H TYR 40 -10.431 21.624 2.237 313 HA TYR 40 HA TYR 40 -11.049 24.440 1.404 314 HB2 TYR 40 1HB TYR 40 -12.059 21.796 0.328 315 HB3 TYR 40 2HB TYR 40 -12.607 23.407 -0.199 316 HD1 TYR 40 HD2 TYR 40 -10.686 25.012 -1.035 317 HD2 TYR 40 HD1 TYR 40 -10.348 20.765 -0.874 318 HE1 TYR 40 HE2 TYR 40 -8.856 25.106 -2.694 319 HE2 TYR 40 HE1 TYR 40 -8.512 20.839 -2.537 320 HH TYR 40 HH TYR 40 -7.352 23.915 -3.922 321 H TRP 41 H TRP 41 -13.077 25.289 1.710 322 HA TRP 41 HA TRP 41 -14.736 23.836 3.748 323 HB2 TRP 41 1HB TRP 41 -14.222 26.825 3.432 324 HB3 TRP 41 2HB TRP 41 -15.429 26.117 4.533 325 HD1 TRP 41 HD1 TRP 41 -11.786 26.551 4.023 326 HE1 TRP 41 HE1 TRP 41 -10.486 26.062 6.342 327 HE3 TRP 41 HE3 TRP 41 -15.720 24.773 6.706 328 HZ2 TRP 41 HZ2 TRP 41 -11.195 25.075 8.824 329 HZ3 TRP 41 HZ3 TRP 41 -15.408 24.072 9.000 330 HH2 TRP 41 HH2 TRP 41 -13.212 24.198 10.097 331 H PHE 42 H PHE 42 -16.829 23.543 3.403 332 HA PHE 42 HA PHE 42 -18.283 25.461 1.702 333 HB2 PHE 42 1HB PHE 42 -19.326 23.675 0.318 334 HB3 PHE 42 2HB PHE 42 -17.575 23.789 0.029 335 HD1 PHE 42 HD2 PHE 42 -16.061 22.086 0.923 336 HD2 PHE 42 HD1 PHE 42 -20.308 21.731 1.217 337 HE1 PHE 42 HE2 PHE 42 -15.825 19.667 1.379 338 HE2 PHE 42 HE1 PHE 42 -20.077 19.313 1.676 339 HZ PHE 42 HZ PHE 42 -17.835 18.281 1.757 340 H LYS 43 H LYS 43 -20.480 25.527 2.045 341 HA LYS 43 HA LYS 43 -21.234 24.231 4.645 342 HB2 LYS 43 1HB LYS 43 -20.915 26.748 4.522 343 HB3 LYS 43 2HB LYS 43 -22.351 26.776 3.471 344 HG2 LYS 43 1HG LYS 43 -22.579 25.376 6.102 345 HG3 LYS 43 2HG LYS 43 -22.499 27.154 6.120 346 HD2 LYS 43 1HD LYS 43 -24.354 27.150 4.399 347 HD3 LYS 43 2HD LYS 43 -24.512 25.401 4.679 348 HE2 LYS 43 1HE LYS 43 -24.792 25.968 7.148 349 HE3 LYS 43 2HE LYS 43 -24.971 27.663 6.638 350 HZ1 LYS 43 3HZ LYS 43 -26.679 25.420 5.767 351 HZ2 LYS 43 1HZ LYS 43 -27.099 26.573 6.869 352 HZ3 LYS 43 2HZ LYS 43 -26.844 26.992 5.292 353 H ASP 44 H ASP 44 -22.533 22.599 4.394 354 HA ASP 44 HA ASP 44 -24.182 21.226 3.492 355 HB2 ASP 44 1HB ASP 44 -25.599 23.934 3.118 356 HB3 ASP 44 2HB ASP 44 -26.209 22.279 2.880 357 H GLY 45 H GLY 45 -22.053 22.059 1.724 358 HA2 GLY 45 1HA GLY 45 -21.736 21.119 -0.446 359 HA3 GLY 45 2HA GLY 45 -23.472 21.329 -0.782 360 H LYS 46 H LYS 46 -22.511 24.103 0.707 361 HA LYS 46 HA LYS 46 -22.300 25.512 -1.910 362 HB2 LYS 46 1HB LYS 46 -22.768 26.544 0.891 363 HB3 LYS 46 2HB LYS 46 -22.743 27.525 -0.594 364 HG2 LYS 46 1HG LYS 46 -24.716 26.363 -1.434 365 HG3 LYS 46 2HG LYS 46 -24.717 25.291 -0.014 366 HD2 LYS 46 1HD LYS 46 -25.107 27.212 1.458 367 HD3 LYS 46 2HD LYS 46 -25.062 28.308 0.056 368 HE2 LYS 46 1HE LYS 46 -26.999 27.066 -0.908 369 HE3 LYS 46 2HE LYS 46 -27.083 26.110 0.589 370 HZ1 LYS 46 3HZ LYS 46 -27.403 29.036 0.405 371 HZ2 LYS 46 1HZ LYS 46 -28.624 27.950 0.624 372 HZ3 LYS 46 2HZ LYS 46 -27.479 28.149 1.794 373 H GLN 47 H GLN 47 -20.280 25.448 -2.620 374 HA GLN 47 HA GLN 47 -17.924 25.417 -1.078 375 HB2 GLN 47 1HB GLN 47 -18.095 25.009 -3.523 376 HB3 GLN 47 2HB GLN 47 -18.343 26.755 -3.758 377 HG2 GLN 47 1HG GLN 47 -15.843 27.055 -2.732 378 HG3 GLN 47 2HG GLN 47 -16.108 25.297 -2.654 379 HE21 GLN 47 2HE2 GLN 47 -13.894 26.261 -3.929 380 HE22 GLN 47 1HE2 GLN 47 -14.048 26.047 -5.642 381 H ILE 48 H ILE 48 -16.828 26.768 0.104 382 HA ILE 48 HA ILE 48 -17.761 29.618 0.191 383 HB ILE 48 HB ILE 48 -16.146 27.958 2.182 384 HG12 ILE 48 1HG1 ILE 48 -18.911 29.103 2.450 385 HG13 ILE 48 2HG1 ILE 48 -18.554 27.428 1.970 386 HG21 ILE 48 1HG2 ILE 48 -16.347 29.929 3.659 387 HG22 ILE 48 2HG2 ILE 48 -15.459 30.332 2.171 388 HG23 ILE 48 3HG2 ILE 48 -17.158 30.826 2.353 389 HD11 ILE 48 3HD1 ILE 48 -17.770 28.730 4.601 390 HD12 ILE 48 1HD1 ILE 48 -19.098 27.569 4.369 391 HD13 ILE 48 2HD1 ILE 48 -17.411 27.054 4.121 392 H SER 49 H SER 49 -16.691 31.144 -0.683 393 HA SER 49 HA SER 49 -13.867 30.777 -1.559 394 HB2 SER 49 1HB SER 49 -15.305 31.764 -3.061 395 HB3 SER 49 2HB SER 49 -15.787 33.000 -1.878 396 HG SER 49 HG SER 49 -13.591 33.677 -1.856 397 HA PRO 50 HA PRO 50 -12.149 32.493 2.203 398 HB2 PRO 50 1HB PRO 50 -9.971 33.297 0.235 399 HB3 PRO 50 2HB PRO 50 -9.808 32.427 1.767 400 HG2 PRO 50 1HG PRO 50 -9.581 31.087 -0.527 401 HG3 PRO 50 2HG PRO 50 -10.463 30.356 0.821 402 HD2 PRO 50 1HD PRO 50 -11.576 31.694 -1.680 403 HD3 PRO 50 2HD PRO 50 -12.152 30.245 -0.847 404 H LYS 51 H LYS 51 -12.282 34.346 3.163 405 HA LYS 51 HA LYS 51 -12.750 36.605 3.467 406 HB2 LYS 51 1HB LYS 51 -11.235 36.828 0.861 407 HB3 LYS 51 2HB LYS 51 -11.643 38.175 1.949 408 HG2 LYS 51 1HG LYS 51 -10.257 37.156 3.719 409 HG3 LYS 51 2HG LYS 51 -9.838 35.825 2.615 410 HD2 LYS 51 1HD LYS 51 -8.793 37.429 1.070 411 HD3 LYS 51 2HD LYS 51 -9.221 38.766 2.164 412 HE2 LYS 51 1HE LYS 51 -7.820 37.818 3.919 413 HE3 LYS 51 2HE LYS 51 -7.440 36.419 2.888 414 HZ1 LYS 51 3HZ LYS 51 -6.716 39.220 2.310 415 HZ2 LYS 51 1HZ LYS 51 -5.682 38.054 2.851 416 HZ3 LYS 51 2HZ LYS 51 -6.364 37.923 1.355 417 H SER 52 H SER 52 -14.928 35.413 2.746 418 HA SER 52 HA SER 52 -16.142 36.758 0.358 419 HB2 SER 52 1HB SER 52 -16.430 34.399 0.760 420 HB3 SER 52 2HB SER 52 -17.377 34.817 2.206 421 HG SER 52 HG SER 52 -18.724 34.570 0.413 422 H ASP 53 H ASP 53 -18.730 36.914 1.269 423 HA ASP 53 HA ASP 53 -18.831 39.528 2.373 424 HB2 ASP 53 1HB ASP 53 -21.006 37.354 2.285 425 HB3 ASP 53 2HB ASP 53 -21.112 39.031 2.873 426 H HIS 54 H HIS 54 -19.256 36.378 3.975 427 HA HIS 54 HA HIS 54 -18.622 37.739 6.553 428 HB2 HIS 54 1HB HIS 54 -20.945 35.808 6.105 429 HB3 HIS 54 2HB HIS 54 -20.388 36.400 7.689 430 HD2 HIS 54 HD2 HIS 54 -22.923 37.437 4.926 431 HE1 HIS 54 HE1 HIS 54 -22.257 40.769 7.477 432 HE2 HIS 54 HE2 HIS 54 -23.724 39.719 5.563 433 H TYR 55 H TYR 55 -17.862 35.415 4.352 434 HA TYR 55 HA TYR 55 -16.979 33.453 6.442 435 HB2 TYR 55 1HB TYR 55 -17.539 33.121 3.489 436 HB3 TYR 55 2HB TYR 55 -16.835 31.867 4.538 437 HD1 TYR 55 HD1 TYR 55 -18.742 32.969 6.908 438 HD2 TYR 55 HD2 TYR 55 -19.368 31.465 2.968 439 HE1 TYR 55 HE1 TYR 55 -21.017 32.233 7.558 440 HE2 TYR 55 HE2 TYR 55 -21.639 30.726 3.599 441 HH TYR 55 HH TYR 55 -23.331 31.761 6.111 442 H THR 56 H THR 56 -15.048 34.208 7.060 443 HA THR 56 HA THR 56 -13.026 34.749 4.929 444 HB THR 56 HB THR 56 -12.939 35.295 7.928 445 HG1 THR 56 HG1 THR 56 -13.105 37.492 7.181 446 HG21 THR 56 1HG2 THR 56 -10.899 36.579 7.389 447 HG22 THR 56 2HG2 THR 56 -10.707 34.863 6.957 448 HG23 THR 56 3HG2 THR 56 -11.025 36.069 5.689 449 H ILE 57 H ILE 57 -11.679 33.263 4.341 450 HA ILE 57 HA ILE 57 -11.077 31.030 6.261 451 HB ILE 57 HB ILE 57 -10.846 31.170 3.217 452 HG12 ILE 57 1HG1 ILE 57 -12.648 29.487 4.936 453 HG13 ILE 57 2HG1 ILE 57 -13.126 30.998 4.128 454 HG21 ILE 57 1HG2 ILE 57 -10.215 28.785 3.373 455 HG22 ILE 57 2HG2 ILE 57 -9.045 29.814 4.231 456 HG23 ILE 57 3HG2 ILE 57 -10.257 28.890 5.149 457 HD11 ILE 57 3HD1 ILE 57 -12.157 28.470 2.746 458 HD12 ILE 57 1HD1 ILE 57 -13.843 29.030 2.831 459 HD13 ILE 57 2HD1 ILE 57 -12.634 29.982 1.937 460 H GLN 58 H GLN 58 -9.262 30.960 7.232 461 HA GLN 58 HA GLN 58 -6.884 32.133 5.830 462 HB2 GLN 58 1HB GLN 58 -7.444 33.320 7.886 463 HB3 GLN 58 2HB GLN 58 -7.424 31.784 8.782 464 HG2 GLN 58 1HG GLN 58 -5.083 32.777 9.210 465 HG3 GLN 58 2HG GLN 58 -5.234 31.477 8.004 466 HE21 GLN 58 2HE2 GLN 58 -3.429 31.977 6.813 467 HE22 GLN 58 1HE2 GLN 58 -3.262 33.438 5.898 468 H ARG 59 H ARG 59 -5.801 30.607 4.867 469 HA ARG 59 HA ARG 59 -5.680 27.915 6.163 470 HB2 ARG 59 1HB ARG 59 -6.590 28.042 3.915 471 HB3 ARG 59 2HB ARG 59 -5.022 28.659 3.348 472 HG2 ARG 59 1HG ARG 59 -3.956 26.559 4.158 473 HG3 ARG 59 2HG ARG 59 -5.572 25.943 4.583 474 HD2 ARG 59 1HD ARG 59 -4.622 26.686 1.834 475 HD3 ARG 59 2HD ARG 59 -4.761 25.041 2.495 476 HE ARG 59 HE ARG 59 -7.280 25.331 2.316 477 HH11 ARG 59 1HH1 ARG 59 -5.438 27.950 0.935 478 HH12 ARG 59 2HH1 ARG 59 -6.822 28.423 -0.031 479 HH21 ARG 59 1HH2 ARG 59 -8.877 25.866 1.224 480 HH22 ARG 59 2HH2 ARG 59 -8.785 27.236 0.134 481 H ASP 60 H ASP 60 -4.093 28.038 7.635 482 HA ASP 60 HA ASP 60 -1.433 29.040 6.927 483 HB2 ASP 60 1HB ASP 60 -2.394 28.969 9.350 484 HB3 ASP 60 2HB ASP 60 -2.271 27.213 9.084 485 H LEU 61 H LEU 61 0.204 28.047 6.035 486 HA LEU 61 HA LEU 61 -0.288 25.533 4.701 487 HB2 LEU 61 1HB LEU 61 2.110 27.169 5.209 488 HB3 LEU 61 2HB LEU 61 2.217 25.792 4.087 489 HG LEU 61 HG LEU 61 0.524 28.298 3.744 490 HD11 LEU 61 1HD1 LEU 61 2.015 28.702 1.767 491 HD12 LEU 61 2HD1 LEU 61 2.951 28.633 3.278 492 HD13 LEU 61 3HD1 LEU 61 2.933 27.234 2.178 493 HD21 LEU 61 3HD2 LEU 61 -0.639 26.350 2.889 494 HD22 LEU 61 1HD2 LEU 61 -0.079 27.364 1.538 495 HD23 LEU 61 2HD2 LEU 61 0.796 25.869 1.952 496 H ASP 62 H ASP 62 0.765 26.273 7.846 497 HA ASP 62 HA ASP 62 2.456 24.024 8.377 498 HB2 ASP 62 1HB ASP 62 1.856 26.122 9.932 499 HB3 ASP 62 2HB ASP 62 0.442 25.082 10.230 500 H GLY 63 H GLY 63 -1.023 24.322 8.072 501 HA2 GLY 63 1HA GLY 63 -1.891 22.058 7.202 502 HA3 GLY 63 2HA GLY 63 -1.263 21.418 8.740 503 H THR 64 H THR 64 -2.223 24.479 9.430 504 HA THR 64 HA THR 64 -4.960 23.570 10.251 505 HB THR 64 HB THR 64 -3.206 25.788 11.395 506 HG1 THR 64 HG1 THR 64 -3.996 23.736 13.042 507 HG21 THR 64 1HG2 THR 64 -4.950 25.945 13.136 508 HG22 THR 64 2HG2 THR 64 -5.618 26.306 11.525 509 HG23 THR 64 3HG2 THR 64 -5.916 24.722 12.279 510 H CYS 65 H CYS 65 -6.719 24.530 9.566 511 HA CYS 65 HA CYS 65 -6.481 27.226 8.195 512 HB2 CYS 65 1HB CYS 65 -6.556 25.191 6.684 513 HB3 CYS 65 2HB CYS 65 -8.148 24.811 7.385 514 HG CYS 65 HG CYS 65 -8.347 25.723 4.999 515 H SER 66 H SER 66 -7.980 28.666 8.824 516 HA SER 66 HA SER 66 -10.102 27.757 10.793 517 HB2 SER 66 1HB SER 66 -8.469 28.949 11.887 518 HB3 SER 66 2HB SER 66 -8.535 30.263 10.690 519 HG SER 66 HG SER 66 -9.769 30.707 12.567 520 H LEU 67 H LEU 67 -12.165 28.270 10.364 521 HA LEU 67 HA LEU 67 -12.703 30.298 8.219 522 HB2 LEU 67 1HB LEU 67 -13.380 28.254 7.540 523 HB3 LEU 67 2HB LEU 67 -14.260 27.787 9.013 524 HG LEU 67 HG LEU 67 -15.868 29.660 8.566 525 HD11 LEU 67 1HD1 LEU 67 -15.900 30.623 6.249 526 HD12 LEU 67 2HD1 LEU 67 -14.384 31.018 7.091 527 HD13 LEU 67 3HD1 LEU 67 -14.413 29.724 5.871 528 HD21 LEU 67 3HD2 LEU 67 -16.430 27.375 7.982 529 HD22 LEU 67 1HD2 LEU 67 -17.092 28.492 6.765 530 HD23 LEU 67 2HD2 LEU 67 -15.625 27.549 6.404 531 H HIS 68 H HIS 68 -13.288 32.163 8.965 532 HA HIS 68 HA HIS 68 -14.807 32.267 11.537 533 HB2 HIS 68 1HB HIS 68 -12.841 33.693 11.561 534 HB3 HIS 68 2HB HIS 68 -13.270 34.397 9.984 535 HD1 HIS 68 HD2 HIS 68 -14.632 34.232 13.540 536 HD2 HIS 68 HE1 HIS 68 -14.682 36.818 10.214 537 HE1 HIS 68 HE2 HIS 68 -15.854 36.224 14.253 538 H THR 69 H THR 69 -16.875 32.656 11.608 539 HA THR 69 HA THR 69 -18.173 33.899 9.215 540 HB THR 69 HB THR 69 -19.399 32.443 11.596 541 HG1 THR 69 HG1 THR 69 -19.926 30.918 9.866 542 HG21 THR 69 1HG2 THR 69 -21.503 32.604 10.312 543 HG22 THR 69 2HG2 THR 69 -20.866 34.220 10.704 544 HG23 THR 69 3HG2 THR 69 -20.669 33.559 9.063 545 H THR 70 H THR 70 -18.505 35.961 9.222 546 HA THR 70 HA THR 70 -18.040 37.548 11.606 547 HB THR 70 HB THR 70 -19.194 38.331 8.897 548 HG1 THR 70 HG1 THR 70 -17.025 39.116 8.603 549 HG21 THR 70 1HG2 THR 70 -18.611 40.634 9.570 550 HG22 THR 70 2HG2 THR 70 -19.809 39.927 10.679 551 HG23 THR 70 3HG2 THR 70 -18.101 40.039 11.167 552 H ALA 71 H ALA 71 -20.938 36.513 9.855 553 HA ALA 71 HA ALA 71 -22.537 37.442 12.187 554 HB1 ALA 71 3HB ALA 71 -23.203 38.016 9.280 555 HB2 ALA 71 1HB ALA 71 -24.254 38.356 10.675 556 HB3 ALA 71 2HB ALA 71 -22.708 39.213 10.496 557 H SER 72 H SER 72 -22.491 35.205 12.745 558 HA SER 72 HA SER 72 -23.679 33.148 11.016 559 HB2 SER 72 1HB SER 72 -22.026 32.598 12.568 560 HB3 SER 72 2HB SER 72 -23.058 33.144 13.909 561 HG SER 72 HG SER 72 -23.193 30.886 13.547 562 H THR 73 H THR 73 -25.784 33.448 10.442 563 HA THR 73 HA THR 73 -27.736 33.979 12.658 564 HB THR 73 HB THR 73 -29.245 34.934 11.009 565 HG1 THR 73 HG1 THR 73 -27.183 34.249 9.151 566 HG21 THR 73 1HG2 THR 73 -27.959 36.933 10.337 567 HG22 THR 73 2HG2 THR 73 -27.575 36.458 12.007 568 HG23 THR 73 3HG2 THR 73 -26.441 36.077 10.690 569 H LEU 74 H LEU 74 -30.046 33.275 11.690 570 HA LEU 74 HA LEU 74 -29.963 30.409 11.910 571 HB2 LEU 74 1HB LEU 74 -32.001 32.349 11.053 572 HB3 LEU 74 2HB LEU 74 -32.470 30.649 11.288 573 HG LEU 74 HG LEU 74 -31.421 32.552 13.420 574 HD11 LEU 74 1HD1 LEU 74 -33.716 32.291 14.401 575 HD12 LEU 74 2HD1 LEU 74 -33.788 32.982 12.763 576 HD13 LEU 74 3HD1 LEU 74 -34.171 31.263 13.023 577 HD21 LEU 74 3HD2 LEU 74 -30.639 30.289 13.803 578 HD22 LEU 74 1HD2 LEU 74 -31.879 30.714 15.006 579 HD23 LEU 74 2HD2 LEU 74 -32.295 29.657 13.634 580 H ASP 75 H ASP 75 -29.904 32.575 9.184 581 HA ASP 75 HA ASP 75 -30.417 30.454 7.223 582 HB2 ASP 75 1HB ASP 75 -29.302 33.300 6.887 583 HB3 ASP 75 2HB ASP 75 -29.550 32.026 5.667 584 H ASP 76 H ASP 76 -27.738 31.478 9.096 585 HA ASP 76 HA ASP 76 -25.810 30.146 7.256 586 HB2 ASP 76 1HB ASP 76 -25.245 31.636 9.892 587 HB3 ASP 76 2HB ASP 76 -24.164 30.878 8.696 588 H ASP 77 H ASP 77 -27.694 29.517 10.059 589 HA ASP 77 HA ASP 77 -26.217 27.424 11.270 590 HB2 ASP 77 1HB ASP 77 -28.507 28.373 12.061 591 HB3 ASP 77 2HB ASP 77 -29.099 27.456 10.655 592 H GLY 78 H GLY 78 -25.587 25.486 10.733 593 HA2 GLY 78 1HA GLY 78 -26.734 23.530 9.228 594 HA3 GLY 78 2HA GLY 78 -26.072 24.607 7.978 595 H ASN 79 H ASN 79 -24.747 22.739 7.393 596 HA ASN 79 HA ASN 79 -22.585 22.104 9.368 597 HB2 ASN 79 1HB ASN 79 -23.323 20.299 6.955 598 HB3 ASN 79 2HB ASN 79 -22.166 20.316 8.308 599 HD21 ASN 79 2HD2 ASN 79 -25.214 19.371 7.242 600 HD22 ASN 79 1HD2 ASN 79 -25.874 18.857 8.759 601 H TYR 80 H TYR 80 -20.950 23.434 9.107 602 HA TYR 80 HA TYR 80 -20.033 24.248 6.437 603 HB2 TYR 80 1HB TYR 80 -18.904 24.583 9.218 604 HB3 TYR 80 2HB TYR 80 -18.118 25.193 7.741 605 HD1 TYR 80 HD1 TYR 80 -21.198 25.478 9.821 606 HD2 TYR 80 HD2 TYR 80 -18.796 27.251 6.776 607 HE1 TYR 80 HE1 TYR 80 -22.566 27.539 9.953 608 HE2 TYR 80 HE2 TYR 80 -20.151 29.315 6.895 609 HH TYR 80 HH TYR 80 -22.325 30.111 7.647 610 H THR 81 H THR 81 -19.899 21.987 5.670 611 HA THR 81 HA THR 81 -18.115 20.117 6.933 612 HB THR 81 HB THR 81 -19.071 20.183 4.039 613 HG1 THR 81 HG1 THR 81 -20.691 18.740 4.881 614 HG21 THR 81 1HG2 THR 81 -18.646 17.751 4.116 615 HG22 THR 81 2HG2 THR 81 -17.155 18.673 4.428 616 HG23 THR 81 3HG2 THR 81 -18.029 17.912 5.779 617 H ILE 82 H ILE 82 -16.041 19.716 6.791 618 HA ILE 82 HA ILE 82 -14.437 21.432 4.912 619 HB ILE 82 HB ILE 82 -13.811 22.028 7.148 620 HG12 ILE 82 1HG1 ILE 82 -11.897 19.905 6.212 621 HG13 ILE 82 2HG1 ILE 82 -11.982 21.575 5.607 622 HG21 ILE 82 1HG2 ILE 82 -13.267 20.346 8.875 623 HG22 ILE 82 2HG2 ILE 82 -14.944 20.164 8.311 624 HG23 ILE 82 3HG2 ILE 82 -13.688 19.042 7.740 625 HD11 ILE 82 3HD1 ILE 82 -11.326 20.747 8.456 626 HD12 ILE 82 1HD1 ILE 82 -10.157 21.313 7.241 627 HD13 ILE 82 2HD1 ILE 82 -11.412 22.418 7.852 628 H MET 83 H MET 83 -12.915 20.642 3.646 629 HA MET 83 HA MET 83 -12.840 17.645 3.468 630 HB2 MET 83 1HB MET 83 -14.195 18.674 1.704 631 HB3 MET 83 2HB MET 83 -12.808 19.692 1.245 632 HG2 MET 83 1HG MET 83 -12.950 17.873 -0.318 633 HG3 MET 83 2HG MET 83 -11.528 17.617 0.721 634 HE1 MET 83 3HE MET 83 -14.970 16.319 -0.471 635 HE2 MET 83 1HE MET 83 -15.459 15.182 0.809 636 HE3 MET 83 2HE MET 83 -15.432 16.933 1.136 637 H ALA 84 H ALA 84 -10.962 16.828 3.890 638 HA ALA 84 HA ALA 84 -8.524 18.447 3.529 639 HB1 ALA 84 3HB ALA 84 -8.908 15.600 4.519 640 HB2 ALA 84 1HB ALA 84 -7.376 16.509 4.529 641 HB3 ALA 84 2HB ALA 84 -8.741 17.051 5.535 642 H ALA 85 H ALA 85 -8.972 18.620 1.178 643 HA ALA 85 HA ALA 85 -8.635 16.157 -0.383 644 HB1 ALA 85 3HB ALA 85 -8.904 19.054 -1.253 645 HB2 ALA 85 1HB ALA 85 -8.927 17.639 -2.329 646 HB3 ALA 85 2HB ALA 85 -10.224 17.868 -1.136 647 H ASN 86 H ASN 86 -6.775 15.302 -0.899 648 HA ASN 86 HA ASN 86 -4.629 17.108 -1.877 649 HB2 ASN 86 1HB ASN 86 -2.904 16.338 -0.297 650 HB3 ASN 86 2HB ASN 86 -4.516 16.508 0.436 651 HD21 ASN 86 2HD2 ASN 86 -2.548 15.032 1.636 652 HD22 ASN 86 1HD2 ASN 86 -2.974 13.353 1.595 653 HA PRO 87 HA PRO 87 -3.747 14.311 -5.001 654 HB2 PRO 87 1HB PRO 87 -1.033 13.599 -3.811 655 HB3 PRO 87 2HB PRO 87 -1.403 14.217 -5.428 656 HG2 PRO 87 1HG PRO 87 -0.334 15.857 -3.622 657 HG3 PRO 87 2HG PRO 87 -1.627 16.453 -4.672 658 HD2 PRO 87 1HD PRO 87 -1.786 15.603 -1.753 659 HD3 PRO 87 2HD PRO 87 -2.601 16.946 -2.565 660 H GLN 88 H GLN 88 -3.350 13.109 -1.773 661 HA GLN 88 HA GLN 88 -3.184 10.308 -2.760 662 HB2 GLN 88 1HB GLN 88 -3.094 11.434 0.048 663 HB3 GLN 88 2HB GLN 88 -2.783 9.747 -0.427 664 HG2 GLN 88 1HG GLN 88 -0.830 12.135 -1.013 665 HG3 GLN 88 2HG GLN 88 -0.894 10.707 0.046 666 HE21 GLN 88 2HE2 GLN 88 0.276 11.934 -2.831 667 HE22 GLN 88 1HE2 GLN 88 0.613 10.446 -3.654 668 H GLY 89 H GLY 89 -5.576 12.479 -2.136 669 HA2 GLY 89 1HA GLY 89 -7.812 11.171 -2.515 670 HA3 GLY 89 2HA GLY 89 -7.400 10.450 -0.940 671 H ARG 90 H ARG 90 -9.544 11.409 -0.392 672 HA ARG 90 HA ARG 90 -9.107 14.047 0.872 673 HB2 ARG 90 1HB ARG 90 -11.036 15.073 0.072 674 HB3 ARG 90 2HB ARG 90 -9.969 14.637 -1.282 675 HG2 ARG 90 1HG ARG 90 -11.409 12.697 -1.778 676 HG3 ARG 90 2HG ARG 90 -12.487 13.167 -0.442 677 HD2 ARG 90 1HD ARG 90 -12.912 15.288 -1.609 678 HD3 ARG 90 2HD ARG 90 -11.949 14.679 -2.975 679 HE ARG 90 HE ARG 90 -14.132 12.825 -2.541 680 HH11 ARG 90 1HH1 ARG 90 -13.677 16.128 -3.561 681 HH12 ARG 90 2HH1 ARG 90 -15.115 16.025 -4.558 682 HH21 ARG 90 1HH2 ARG 90 -15.787 12.694 -3.671 683 HH22 ARG 90 2HH2 ARG 90 -16.319 14.069 -4.620 684 H VAL 91 H VAL 91 -10.374 14.472 2.629 685 HA VAL 91 HA VAL 91 -12.296 12.317 3.470 686 HB VAL 91 HB VAL 91 -10.190 13.606 5.256 687 HG11 VAL 91 1HG1 VAL 91 -11.032 12.002 6.939 688 HG12 VAL 91 2HG1 VAL 91 -12.324 13.097 6.395 689 HG13 VAL 91 3HG1 VAL 91 -12.255 11.428 5.780 690 HG21 VAL 91 3HG2 VAL 91 -9.154 12.016 3.751 691 HG22 VAL 91 1HG2 VAL 91 -9.199 11.377 5.410 692 HG23 VAL 91 2HG2 VAL 91 -10.357 10.781 4.196 693 H SER 92 H SER 92 -14.126 12.935 4.252 694 HA SER 92 HA SER 92 -14.651 15.889 4.477 695 HB2 SER 92 1HB SER 92 -15.999 14.823 2.960 696 HB3 SER 92 2HB SER 92 -16.450 13.570 4.137 697 HG SER 92 HG SER 92 -18.013 15.234 3.969 698 H CYS 93 H CYS 93 -15.087 16.830 6.380 699 HA CYS 93 HA CYS 93 -16.021 15.121 8.703 700 HB2 CYS 93 1HB CYS 93 -13.607 15.647 8.838 701 HB3 CYS 93 2HB CYS 93 -13.965 17.375 8.603 702 HG CYS 93 HG CYS 93 -15.370 17.639 10.735 703 H THR 94 H THR 94 -17.763 15.928 9.718 704 HA THR 94 HA THR 94 -19.181 18.129 8.447 705 HB THR 94 HB THR 94 -19.823 16.629 11.018 706 HG1 THR 94 HG1 THR 94 -21.230 15.449 9.589 707 HG21 THR 94 1HG2 THR 94 -22.124 17.428 10.603 708 HG22 THR 94 2HG2 THR 94 -20.999 18.793 10.805 709 HG23 THR 94 3HG2 THR 94 -21.553 18.330 9.179 710 H GLY 95 H GLY 95 -19.182 20.188 8.854 711 HA2 GLY 95 1HA GLY 95 -17.909 21.133 11.373 712 HA3 GLY 95 2HA GLY 95 -18.191 22.107 9.911 713 H ARG 96 H ARG 96 -20.086 20.166 12.269 714 HA ARG 96 HA ARG 96 -22.570 21.449 11.633 715 HB2 ARG 96 1HB ARG 96 -22.402 19.256 12.626 716 HB3 ARG 96 2HB ARG 96 -21.834 20.000 14.139 717 HG2 ARG 96 1HG ARG 96 -23.952 21.171 14.396 718 HG3 ARG 96 2HG ARG 96 -24.522 20.530 12.836 719 HD2 ARG 96 1HD ARG 96 -24.444 18.283 13.747 720 HD3 ARG 96 2HD ARG 96 -23.906 18.944 15.309 721 HE ARG 96 HE ARG 96 -26.513 20.075 14.641 722 HH11 ARG 96 1HH1 ARG 96 -25.078 17.059 15.644 723 HH12 ARG 96 2HH1 ARG 96 -26.570 16.610 16.447 724 HH21 ARG 96 1HH2 ARG 96 -28.230 19.572 15.549 725 HH22 ARG 96 2HH2 ARG 96 -28.368 18.041 16.394 726 H LEU 97 H LEU 97 -22.922 23.525 11.796 727 HA LEU 97 HA LEU 97 -22.340 24.781 14.459 728 HB2 LEU 97 1HB LEU 97 -22.101 25.596 11.726 729 HB3 LEU 97 2HB LEU 97 -22.820 26.898 12.702 730 HG LEU 97 HG LEU 97 -20.759 26.367 14.291 731 HD11 LEU 97 1HD1 LEU 97 -18.722 25.812 12.936 732 HD12 LEU 97 2HD1 LEU 97 -19.909 24.489 12.891 733 HD13 LEU 97 3HD1 LEU 97 -19.753 25.593 11.504 734 HD21 LEU 97 3HD2 LEU 97 -21.236 28.528 13.299 735 HD22 LEU 97 1HD2 LEU 97 -19.498 28.173 13.171 736 HD23 LEU 97 2HD2 LEU 97 -20.550 27.999 11.745 737 H MET 98 H MET 98 -23.993 25.089 15.697 738 HA MET 98 HA MET 98 -26.701 25.316 14.421 739 HB2 MET 98 1HB MET 98 -26.379 23.393 15.890 740 HB3 MET 98 2HB MET 98 -25.877 24.481 17.206 741 HG2 MET 98 1HG MET 98 -28.120 25.526 17.162 742 HG3 MET 98 2HG MET 98 -28.613 24.372 15.901 743 HE1 MET 98 3HE MET 98 -27.804 24.954 19.670 744 HE2 MET 98 1HE MET 98 -27.681 23.297 20.309 745 HE3 MET 98 2HE MET 98 -26.437 23.917 19.196 746 H VAL 99 H VAL 99 -27.870 27.060 14.608 747 HA VAL 99 HA VAL 99 -26.807 29.267 16.371 748 HB VAL 99 HB VAL 99 -28.392 29.448 13.777 749 HG11 VAL 99 1HG1 VAL 99 -27.984 31.877 13.997 750 HG12 VAL 99 2HG1 VAL 99 -28.915 31.255 15.381 751 HG13 VAL 99 3HG1 VAL 99 -27.177 31.599 15.558 752 HG21 VAL 99 3HG2 VAL 99 -26.110 28.749 13.362 753 HG22 VAL 99 1HG2 VAL 99 -26.365 30.428 12.830 754 HG23 VAL 99 2HG2 VAL 99 -25.498 30.099 14.351 755 H GLN 100 H GLN 100 -27.916 29.914 17.980 756 HA GLN 100 HA GLN 100 -30.866 29.357 17.961 757 HB2 GLN 100 1HB GLN 100 -28.902 29.334 20.257 758 HB3 GLN 100 2HB GLN 100 -30.671 29.252 20.432 759 HG2 GLN 100 1HG GLN 100 -28.975 26.958 19.105 760 HG3 GLN 100 2HG GLN 100 -29.667 27.273 20.713 761 HE21 GLN 100 2HE2 GLN 100 -30.139 25.606 17.938 762 HE22 GLN 100 1HE2 GLN 100 -31.868 25.494 17.931 763 H ALA 101 H ALA 101 -32.020 30.721 19.652 764 HA ALA 101 HA ALA 101 -31.721 33.465 18.863 765 HB1 ALA 101 3HB ALA 101 -33.263 32.257 21.186 766 HB2 ALA 101 1HB ALA 101 -33.455 33.910 20.559 767 HB3 ALA 101 2HB ALA 101 -33.882 32.513 19.537 768 H VAL 102 H VAL 102 -31.081 35.281 19.989 769 HA VAL 102 HA VAL 102 -28.708 34.892 21.647 770 HB VAL 102 HB VAL 102 -30.290 37.450 21.173 771 HG11 VAL 102 1HG1 VAL 102 -28.107 38.526 21.605 772 HG12 VAL 102 2HG1 VAL 102 -28.621 37.541 22.995 773 HG13 VAL 102 3HG1 VAL 102 -27.374 36.928 21.883 774 HG21 VAL 102 3HG2 VAL 102 -29.765 36.448 19.031 775 HG22 VAL 102 1HG2 VAL 102 -28.768 37.894 19.314 776 HG23 VAL 102 2HG2 VAL 102 -28.059 36.273 19.510 777 H ASN 103 H ASN 103 -28.878 34.026 23.547 778 HA ASN 103 HA ASN 103 -31.167 34.373 25.268 779 HB2 ASN 103 1HB ASN 103 -28.373 33.266 26.066 780 HB3 ASN 103 2HB ASN 103 -29.902 33.594 26.916 781 HD21 ASN 103 2HD2 ASN 103 -28.419 31.090 26.349 782 HD22 ASN 103 1HD2 ASN 103 -29.566 30.046 25.575 783 H GLN 104 H GLN 104 -28.281 36.237 24.754 784 HA GLN 104 HA GLN 104 -28.497 37.716 27.267 785 HB2 GLN 104 1HB GLN 104 -27.018 38.256 24.682 786 HB3 GLN 104 2HB GLN 104 -26.888 39.251 26.151 787 HG2 GLN 104 1HG GLN 104 -25.862 37.042 27.342 788 HG3 GLN 104 2HG GLN 104 -26.259 36.466 25.707 789 HE21 GLN 104 2HE2 GLN 104 -23.718 36.161 26.745 790 HE22 GLN 104 1HE2 GLN 104 -22.617 37.201 25.902 791 H ARG 105 H ARG 105 -30.080 37.824 24.234 792 HA ARG 105 HA ARG 105 -30.721 40.691 24.370 793 HB2 ARG 105 1HB ARG 105 -30.420 39.595 22.251 794 HB3 ARG 105 2HB ARG 105 -31.823 38.556 22.592 795 HG2 ARG 105 1HG ARG 105 -33.285 40.518 22.641 796 HG3 ARG 105 2HG ARG 105 -31.885 41.579 22.345 797 HD2 ARG 105 1HD ARG 105 -31.563 40.544 20.182 798 HD3 ARG 105 2HD ARG 105 -32.967 39.492 20.479 799 HE ARG 105 HE ARG 105 -33.754 42.329 20.524 800 HH11 ARG 105 1HH1 ARG 105 -32.986 39.710 18.356 801 HH12 ARG 105 2HH1 ARG 105 -34.003 40.424 17.121 802 HH21 ARG 105 1HH2 ARG 105 -34.917 43.165 19.119 803 HH22 ARG 105 2HH2 ARG 105 -35.105 42.396 17.555 804 H GLY 106 H GLY 106 -32.107 41.527 25.698 805 HA2 GLY 106 1HA GLY 106 -33.944 39.904 27.223 806 HA3 GLY 106 2HA GLY 106 -33.845 41.682 27.222 807 H ARG 107 H ARG 107 -34.098 41.412 24.137 808 HA ARG 107 HA ARG 107 -37.066 41.549 24.144 809 HB2 ARG 107 1HB ARG 107 -35.069 42.302 22.057 810 HB3 ARG 107 2HB ARG 107 -36.837 42.405 21.893 811 HG2 ARG 107 1HG ARG 107 -36.919 44.008 23.754 812 HG3 ARG 107 2HG ARG 107 -35.150 43.903 23.923 813 HD2 ARG 107 1HD ARG 107 -34.902 44.815 21.684 814 HD3 ARG 107 2HD ARG 107 -36.672 44.959 21.561 815 HE ARG 107 HE ARG 107 -35.883 46.564 23.810 816 HH11 ARG 107 1HH1 ARG 107 -35.252 46.521 20.381 817 HH12 ARG 107 2HH1 ARG 107 -35.065 48.263 20.387 818 HH21 ARG 107 1HH2 ARG 107 -35.665 48.559 23.835 819 HH22 ARG 107 2HH2 ARG 107 -35.299 49.427 22.357 820 H SER 108 H SER 108 -34.809 39.178 23.773 821 HA SER 108 HA SER 108 -35.750 37.734 21.422 822 HB2 SER 108 1HB SER 108 -33.613 37.393 22.257 823 HB3 SER 108 2HB SER 108 -34.264 36.816 23.808 824 HG SER 108 HG SER 108 -33.743 35.108 22.373 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 7.183 -1.203 4.537 2 H2 GLY 1 2H GLY 1 8.668 -1.150 4.336 3 H3 GLY 1 3H GLY 1 7.934 0.063 4.824 4 HA2 GLY 1 1HA GLY 1 8.486 -0.540 2.106 5 HA3 GLY 1 2HA GLY 1 6.724 -0.602 2.344 6 H GLY 2 H GLY 2 6.049 1.364 3.931 7 HA2 GLY 2 1HA GLY 2 5.731 3.650 4.095 8 HA3 GLY 2 2HA GLY 2 7.434 3.849 3.610 9 H SER 3 H SER 3 7.703 5.020 1.824 10 HA SER 3 HA SER 3 6.802 5.263 -0.662 11 HB2 SER 3 1HB SER 3 4.538 5.941 -0.807 12 HB3 SER 3 2HB SER 3 4.776 4.251 -0.305 13 HG SER 3 HG SER 3 3.161 5.322 0.916 14 H ASN 4 H ASN 4 7.209 6.745 2.356 15 HA ASN 4 HA ASN 4 7.484 8.949 3.049 16 HB2 ASN 4 1HB ASN 4 9.224 8.796 0.876 17 HB3 ASN 4 2HB ASN 4 7.769 9.671 0.338 18 HD21 ASN 4 2HD2 ASN 4 9.394 11.341 -0.081 19 HD22 ASN 4 1HD2 ASN 4 9.798 12.432 1.204 20 H ALA 5 H ALA 5 4.872 8.276 2.708 21 HA ALA 5 HA ALA 5 3.717 10.909 2.138 22 HB1 ALA 5 3HB ALA 5 2.866 8.478 0.530 23 HB2 ALA 5 1HB ALA 5 2.054 10.059 0.530 24 HB3 ALA 5 2HB ALA 5 3.710 9.910 -0.103 25 H THR 6 H THR 6 1.549 11.146 2.852 26 HA THR 6 HA THR 6 0.526 8.945 4.583 27 HB THR 6 HB THR 6 0.971 11.800 5.551 28 HG1 THR 6 HG1 THR 6 2.210 9.318 6.247 29 HG21 THR 6 1HG2 THR 6 0.131 10.929 7.704 30 HG22 THR 6 2HG2 THR 6 -1.099 10.770 6.426 31 HG23 THR 6 3HG2 THR 6 -0.169 9.347 6.949 32 H ALA 7 H ALA 7 -1.541 8.638 4.402 33 HA ALA 7 HA ALA 7 -3.109 10.226 2.602 34 HB1 ALA 7 3HB ALA 7 -3.985 8.172 4.658 35 HB2 ALA 7 1HB ALA 7 -4.988 8.811 3.334 36 HB3 ALA 7 2HB ALA 7 -3.544 7.840 2.966 37 HA PRO 8 HA PRO 8 -4.557 13.570 5.024 38 HB2 PRO 8 1HB PRO 8 -7.219 12.986 3.658 39 HB3 PRO 8 2HB PRO 8 -6.338 14.517 3.747 40 HG2 PRO 8 1HG PRO 8 -6.325 13.136 1.468 41 HG3 PRO 8 2HG PRO 8 -4.833 13.910 2.020 42 HD2 PRO 8 1HD PRO 8 -5.619 10.973 2.165 43 HD3 PRO 8 2HD PRO 8 -4.040 11.683 1.807 44 H PHE 9 H PHE 9 -5.073 13.646 7.022 45 HA PHE 9 HA PHE 9 -7.534 12.349 7.974 46 HB2 PHE 9 1HB PHE 9 -5.941 10.482 8.208 47 HB3 PHE 9 2HB PHE 9 -4.829 11.533 9.113 48 HD1 PHE 9 HD1 PHE 9 -8.181 9.961 9.189 49 HD2 PHE 9 HD2 PHE 9 -5.051 11.844 11.404 50 HE1 PHE 9 HE1 PHE 9 -9.285 9.307 11.302 51 HE2 PHE 9 HE2 PHE 9 -6.151 11.190 13.519 52 HZ PHE 9 HZ PHE 9 -8.270 9.923 13.467 53 H PHE 10 H PHE 10 -8.534 13.676 9.243 54 HA PHE 10 HA PHE 10 -7.252 16.128 10.135 55 HB2 PHE 10 1HB PHE 10 -9.995 14.894 10.550 56 HB3 PHE 10 2HB PHE 10 -9.508 16.400 11.359 57 HD1 PHE 10 HD2 PHE 10 -8.849 18.366 9.963 58 HD2 PHE 10 HD1 PHE 10 -10.720 14.884 8.344 59 HE1 PHE 10 HE2 PHE 10 -9.522 19.659 7.966 60 HE2 PHE 10 HE1 PHE 10 -11.393 16.173 6.344 61 HZ PHE 10 HZ PHE 10 -10.794 18.560 6.156 62 H GLU 11 H GLU 11 -5.670 15.946 11.574 63 HA GLU 11 HA GLU 11 -5.922 14.406 14.028 64 HB2 GLU 11 1HB GLU 11 -3.970 15.513 14.734 65 HB3 GLU 11 2HB GLU 11 -3.780 15.169 12.998 66 HG2 GLU 11 1HG GLU 11 -4.318 17.592 12.489 67 HG3 GLU 11 2HG GLU 11 -4.576 17.769 14.240 68 H MET 12 H MET 12 -7.129 17.462 12.947 69 HA MET 12 HA MET 12 -8.567 17.651 15.550 70 HB2 MET 12 1HB MET 12 -6.671 19.188 15.681 71 HB3 MET 12 2HB MET 12 -7.189 19.951 14.158 72 HG2 MET 12 1HG MET 12 -9.259 20.700 15.215 73 HG3 MET 12 2HG MET 12 -8.796 19.893 16.731 74 HE1 MET 12 3HE MET 12 -8.486 23.009 14.480 75 HE2 MET 12 1HE MET 12 -6.962 23.766 15.003 76 HE3 MET 12 2HE MET 12 -6.930 22.232 14.099 77 H LYS 13 H LYS 13 -10.616 17.499 15.150 78 HA LYS 13 HA LYS 13 -11.601 18.308 12.451 79 HB2 LYS 13 1HB LYS 13 -12.831 16.599 14.615 80 HB3 LYS 13 2HB LYS 13 -13.581 16.982 13.048 81 HG2 LYS 13 1HG LYS 13 -11.667 15.850 11.912 82 HG3 LYS 13 2HG LYS 13 -11.047 15.374 13.511 83 HD2 LYS 13 1HD LYS 13 -13.095 14.115 13.958 84 HD3 LYS 13 2HD LYS 13 -13.772 14.632 12.395 85 HE2 LYS 13 1HE LYS 13 -11.946 13.478 11.222 86 HE3 LYS 13 2HE LYS 13 -11.270 12.960 12.783 87 HZ1 LYS 13 3HZ LYS 13 -13.919 12.205 11.728 88 HZ2 LYS 13 1HZ LYS 13 -12.589 11.230 11.768 89 HZ3 LYS 13 2HZ LYS 13 -13.292 11.725 13.176 90 H LEU 14 H LEU 14 -13.936 19.045 12.433 91 HA LEU 14 HA LEU 14 -14.014 21.524 13.987 92 HB2 LEU 14 1HB LEU 14 -15.845 20.195 12.105 93 HB3 LEU 14 2HB LEU 14 -16.212 21.836 12.681 94 HG LEU 14 HG LEU 14 -13.812 20.999 11.007 95 HD11 LEU 14 1HD1 LEU 14 -14.872 22.439 9.247 96 HD12 LEU 14 2HD1 LEU 14 -15.946 21.102 9.722 97 HD13 LEU 14 3HD1 LEU 14 -16.240 22.743 10.343 98 HD21 LEU 14 3HD2 LEU 14 -13.225 22.760 12.567 99 HD22 LEU 14 1HD2 LEU 14 -13.286 23.412 10.912 100 HD23 LEU 14 2HD2 LEU 14 -14.623 23.729 12.044 101 H LYS 15 H LYS 15 -15.528 22.200 15.450 102 HA LYS 15 HA LYS 15 -16.856 19.945 16.908 103 HB2 LYS 15 1HB LYS 15 -16.061 22.706 17.842 104 HB3 LYS 15 2HB LYS 15 -16.860 21.457 18.826 105 HG2 LYS 15 1HG LYS 15 -14.882 19.991 18.527 106 HG3 LYS 15 2HG LYS 15 -14.082 21.288 17.607 107 HD2 LYS 15 1HD LYS 15 -14.162 22.758 19.559 108 HD3 LYS 15 2HD LYS 15 -15.035 21.511 20.483 109 HE2 LYS 15 1HE LYS 15 -13.102 19.997 20.243 110 HE3 LYS 15 2HE LYS 15 -12.230 21.264 19.352 111 HZ1 LYS 15 3HZ LYS 15 -13.153 21.462 22.146 112 HZ2 LYS 15 1HZ LYS 15 -11.596 21.209 21.667 113 HZ3 LYS 15 2HZ LYS 15 -12.345 22.637 21.319 114 H HIS 16 H HIS 16 -18.861 20.447 18.038 115 HA HIS 16 HA HIS 16 -20.679 21.963 16.251 116 HB2 HIS 16 1HB HIS 16 -21.338 19.679 17.034 117 HB3 HIS 16 2HB HIS 16 -21.311 20.272 18.711 118 HD1 HIS 16 HD1 HIS 16 -23.852 19.427 18.640 119 HD2 HIS 16 HD2 HIS 16 -23.035 22.906 16.406 120 HE1 HIS 16 HE1 HIS 16 -26.023 20.434 18.144 121 H TYR 17 H TYR 17 -20.877 24.037 16.519 122 HA TYR 17 HA TYR 17 -20.517 25.162 19.264 123 HB2 TYR 17 1HB TYR 17 -20.441 26.423 16.516 124 HB3 TYR 17 2HB TYR 17 -20.301 27.316 18.050 125 HD1 TYR 17 HD1 TYR 17 -18.606 25.007 15.733 126 HD2 TYR 17 HD2 TYR 17 -18.268 27.181 19.384 127 HE1 TYR 17 HE1 TYR 17 -16.164 24.591 15.745 128 HE2 TYR 17 HE2 TYR 17 -15.830 26.776 19.412 129 HH TYR 17 HH TYR 17 -14.057 25.820 18.348 130 H LYS 18 H LYS 18 -21.964 26.454 20.247 131 HA LYS 18 HA LYS 18 -24.657 26.639 18.932 132 HB2 LYS 18 1HB LYS 18 -23.884 26.626 21.855 133 HB3 LYS 18 2HB LYS 18 -25.527 26.892 21.225 134 HG2 LYS 18 1HG LYS 18 -25.508 24.627 20.243 135 HG3 LYS 18 2HG LYS 18 -23.877 24.362 20.904 136 HD2 LYS 18 1HD LYS 18 -24.767 24.698 23.189 137 HD3 LYS 18 2HD LYS 18 -26.398 24.906 22.508 138 HE2 LYS 18 1HE LYS 18 -26.204 22.620 21.512 139 HE3 LYS 18 2HE LYS 18 -24.659 22.425 22.370 140 HZ1 LYS 18 3HZ LYS 18 -27.279 22.896 23.642 141 HZ2 LYS 18 1HZ LYS 18 -26.484 21.452 23.591 142 HZ3 LYS 18 2HZ LYS 18 -25.847 22.716 24.439 143 H ILE 19 H ILE 19 -24.465 28.518 17.832 144 HA ILE 19 HA ILE 19 -23.484 30.903 19.382 145 HB ILE 19 HB ILE 19 -23.479 30.467 16.361 146 HG12 ILE 19 1HG1 ILE 19 -21.972 28.919 17.371 147 HG13 ILE 19 2HG1 ILE 19 -21.087 30.209 16.522 148 HG21 ILE 19 1HG2 ILE 19 -22.025 32.466 16.360 149 HG22 ILE 19 2HG2 ILE 19 -23.609 32.829 17.080 150 HG23 ILE 19 3HG2 ILE 19 -22.190 32.590 18.127 151 HD11 ILE 19 3HD1 ILE 19 -21.509 30.022 19.525 152 HD12 ILE 19 1HD1 ILE 19 -20.002 29.645 18.660 153 HD13 ILE 19 2HD1 ILE 19 -20.627 31.312 18.677 154 H PHE 20 H PHE 20 -24.554 32.728 19.479 155 HA PHE 20 HA PHE 20 -27.407 32.616 18.814 156 HB2 PHE 20 1HB PHE 20 -25.608 34.668 20.141 157 HB3 PHE 20 2HB PHE 20 -27.297 35.031 19.720 158 HD1 PHE 20 HD2 PHE 20 -29.096 33.482 20.647 159 HD2 PHE 20 HD1 PHE 20 -25.090 33.633 22.125 160 HE1 PHE 20 HE2 PHE 20 -29.846 32.474 22.777 161 HE2 PHE 20 HE1 PHE 20 -25.836 32.622 24.255 162 HZ PHE 20 HZ PHE 20 -28.213 32.043 24.581 163 H GLU 21 H GLU 21 -28.536 33.705 17.328 164 HA GLU 21 HA GLU 21 -27.360 34.214 14.813 165 HB2 GLU 21 1HB GLU 21 -29.411 35.419 14.271 166 HB3 GLU 21 2HB GLU 21 -29.723 33.859 15.069 167 HG2 GLU 21 1HG GLU 21 -30.205 35.101 17.229 168 HG3 GLU 21 2HG GLU 21 -29.782 36.571 16.323 169 H GLY 22 H GLY 22 -26.116 35.695 14.013 170 HA2 GLY 22 1HA GLY 22 -25.607 37.973 13.501 171 HA3 GLY 22 2HA GLY 22 -26.351 38.476 15.037 172 H MET 23 H MET 23 -24.855 36.102 16.305 173 HA MET 23 HA MET 23 -22.562 37.711 17.156 174 HB2 MET 23 1HB MET 23 -23.943 36.291 18.658 175 HB3 MET 23 2HB MET 23 -23.290 34.862 17.822 176 HG2 MET 23 1HG MET 23 -21.026 35.464 18.541 177 HG3 MET 23 2HG MET 23 -21.665 36.911 19.358 178 HE1 MET 23 3HE MET 23 -24.191 36.140 20.863 179 HE2 MET 23 1HE MET 23 -23.565 35.519 22.408 180 HE3 MET 23 2HE MET 23 -22.808 36.941 21.649 181 HA PRO 24 HA PRO 24 -19.629 35.933 14.354 182 HB2 PRO 24 1HB PRO 24 -17.372 36.994 15.508 183 HB3 PRO 24 2HB PRO 24 -18.477 38.032 14.598 184 HG2 PRO 24 1HG PRO 24 -18.273 37.637 17.601 185 HG3 PRO 24 2HG PRO 24 -18.426 39.143 16.688 186 HD2 PRO 24 1HD PRO 24 -20.601 37.953 17.874 187 HD3 PRO 24 2HD PRO 24 -20.758 38.871 16.370 188 H VAL 25 H VAL 25 -18.240 34.276 14.271 189 HA VAL 25 HA VAL 25 -17.246 33.019 16.760 190 HB VAL 25 HB VAL 25 -19.517 32.032 16.574 191 HG11 VAL 25 1HG1 VAL 25 -20.068 30.627 14.617 192 HG12 VAL 25 2HG1 VAL 25 -19.826 32.325 14.139 193 HG13 VAL 25 3HG1 VAL 25 -18.550 31.123 13.833 194 HG21 VAL 25 3HG2 VAL 25 -17.705 30.692 17.463 195 HG22 VAL 25 1HG2 VAL 25 -18.841 29.684 16.538 196 HG23 VAL 25 2HG2 VAL 25 -17.278 30.147 15.823 197 H THR 26 H THR 26 -15.363 32.172 16.534 198 HA THR 26 HA THR 26 -14.431 31.600 13.741 199 HB THR 26 HB THR 26 -12.796 32.205 16.240 200 HG1 THR 26 HG1 THR 26 -12.326 34.149 15.060 201 HG21 THR 26 1HG2 THR 26 -10.885 32.266 14.676 202 HG22 THR 26 2HG2 THR 26 -11.661 30.663 14.677 203 HG23 THR 26 3HG2 THR 26 -11.964 31.798 13.340 204 H PHE 27 H PHE 27 -13.921 29.649 13.137 205 HA PHE 27 HA PHE 27 -13.172 27.613 15.158 206 HB2 PHE 27 1HB PHE 27 -14.862 25.997 14.161 207 HB3 PHE 27 2HB PHE 27 -15.579 27.302 15.133 208 HD1 PHE 27 HD2 PHE 27 -16.698 29.194 14.022 209 HD2 PHE 27 HD1 PHE 27 -15.349 25.753 11.879 210 HE1 PHE 27 HE2 PHE 27 -18.179 29.792 12.135 211 HE2 PHE 27 HE1 PHE 27 -16.827 26.348 9.989 212 HZ PHE 27 HZ PHE 27 -18.242 28.368 10.117 213 H THR 28 H THR 28 -12.261 25.687 14.250 214 HA THR 28 HA THR 28 -11.115 26.029 11.551 215 HB THR 28 HB THR 28 -9.802 27.655 12.913 216 HG1 THR 28 HG1 THR 28 -8.016 26.989 11.935 217 HG21 THR 28 1HG2 THR 28 -8.334 26.803 14.709 218 HG22 THR 28 2HG2 THR 28 -10.050 26.549 15.110 219 HG23 THR 28 3HG2 THR 28 -9.059 25.188 14.534 220 H CYS 29 H CYS 29 -9.630 24.365 10.957 221 HA CYS 29 HA CYS 29 -9.640 21.921 12.742 222 HB2 CYS 29 1HB CYS 29 -10.295 20.669 10.706 223 HB3 CYS 29 2HB CYS 29 -11.521 21.893 11.121 224 HG CYS 29 HG CYS 29 -10.911 23.588 9.393 225 H ARG 30 H ARG 30 -8.138 20.254 11.793 226 HA ARG 30 HA ARG 30 -5.879 21.360 10.224 227 HB2 ARG 30 1HB ARG 30 -5.329 22.036 12.443 228 HB3 ARG 30 2HB ARG 30 -5.504 20.359 13.012 229 HG2 ARG 30 1HG ARG 30 -3.640 19.672 11.569 230 HG3 ARG 30 2HG ARG 30 -3.468 21.345 10.989 231 HD2 ARG 30 1HD ARG 30 -2.806 22.081 13.147 232 HD3 ARG 30 2HD ARG 30 -3.132 20.476 13.840 233 HE ARG 30 HE ARG 30 -0.967 19.733 12.857 234 HH11 ARG 30 1HH1 ARG 30 -1.729 22.995 11.887 235 HH12 ARG 30 2HH1 ARG 30 -0.074 23.233 11.362 236 HH21 ARG 30 1HH2 ARG 30 0.929 19.987 12.252 237 HH22 ARG 30 2HH2 ARG 30 1.443 21.517 11.569 238 H VAL 31 H VAL 31 -4.951 19.936 8.958 239 HA VAL 31 HA VAL 31 -5.688 17.036 9.350 240 HB VAL 31 HB VAL 31 -6.790 18.057 7.355 241 HG11 VAL 31 1HG1 VAL 31 -5.379 18.783 5.459 242 HG12 VAL 31 2HG1 VAL 31 -5.108 19.808 6.888 243 HG13 VAL 31 3HG1 VAL 31 -3.923 18.553 6.454 244 HG21 VAL 31 3HG2 VAL 31 -6.199 15.707 7.346 245 HG22 VAL 31 1HG2 VAL 31 -6.010 16.413 5.724 246 HG23 VAL 31 2HG2 VAL 31 -4.576 16.098 6.729 247 H ALA 32 H ALA 32 -4.198 15.620 9.583 248 HA ALA 32 HA ALA 32 -1.388 16.552 9.249 249 HB1 ALA 32 3HB ALA 32 -2.523 14.211 10.818 250 HB2 ALA 32 1HB ALA 32 -0.810 14.685 10.746 251 HB3 ALA 32 2HB ALA 32 -2.003 15.773 11.492 252 H GLY 33 H GLY 33 -1.853 16.256 6.874 253 HA2 GLY 33 1HA GLY 33 -1.407 13.395 6.110 254 HA3 GLY 33 2HA GLY 33 -2.125 14.634 5.055 255 H ASN 34 H ASN 34 -0.251 13.423 3.790 256 HA ASN 34 HA ASN 34 1.839 15.457 3.528 257 HB2 ASN 34 3HB ASN 34 2.689 13.845 5.382 258 HB3 ASN 34 2HB ASN 34 2.652 12.536 4.224 259 HD21 ASN 34 2HD2 ASN 34 4.920 13.285 5.639 260 HD22 ASN 34 1HD2 ASN 34 6.111 13.860 4.356 261 HA PRO 35 HA PRO 35 2.603 16.438 2.265 262 HB2 PRO 35 1HB PRO 35 1.173 17.541 -0.146 263 HB3 PRO 35 2HB PRO 35 2.872 17.737 0.310 264 HG2 PRO 35 1HG PRO 35 2.198 16.164 -1.761 265 HG3 PRO 35 2HG PRO 35 3.517 15.698 -0.679 266 HD2 PRO 35 1HD PRO 35 0.626 14.699 -0.683 267 HD3 PRO 35 2HD PRO 35 2.118 13.755 -0.567 268 H LYS 36 H LYS 36 1.591 18.459 2.853 269 HA LYS 36 HA LYS 36 -0.723 17.880 4.427 270 HB2 LYS 36 1HB LYS 36 0.727 20.390 3.654 271 HB3 LYS 36 2HB LYS 36 -0.801 20.460 4.564 272 HG2 LYS 36 1HG LYS 36 1.175 20.591 6.047 273 HG3 LYS 36 2HG LYS 36 0.176 19.155 6.374 274 HD2 LYS 36 1HD LYS 36 1.734 17.830 4.918 275 HD3 LYS 36 2HD LYS 36 2.776 19.269 4.811 276 HE2 LYS 36 1HE LYS 36 3.610 17.768 6.533 277 HE3 LYS 36 2HE LYS 36 3.009 19.273 7.265 278 HZ1 LYS 36 3HZ LYS 36 1.542 16.716 7.152 279 HZ2 LYS 36 1HZ LYS 36 2.284 17.338 8.488 280 HZ3 LYS 36 2HZ LYS 36 0.983 18.112 7.831 281 HA PRO 37 HA PRO 37 -3.716 18.158 1.134 282 HB2 PRO 37 1HB PRO 37 -5.541 17.723 3.518 283 HB3 PRO 37 2HB PRO 37 -5.481 16.824 1.995 284 HG2 PRO 37 1HG PRO 37 -4.505 15.714 4.219 285 HG3 PRO 37 2HG PRO 37 -3.647 15.500 2.688 286 HD2 PRO 37 1HD PRO 37 -2.992 17.392 4.987 287 HD3 PRO 37 2HD PRO 37 -1.889 16.417 4.008 288 H LYS 38 H LYS 38 -5.009 19.679 0.385 289 HA LYS 38 HA LYS 38 -5.210 22.170 1.976 290 HB2 LYS 38 1HB LYS 38 -5.997 21.459 -0.849 291 HB3 LYS 38 2HB LYS 38 -6.256 23.052 -0.101 292 HG2 LYS 38 1HG LYS 38 -3.835 23.327 0.185 293 HG3 LYS 38 2HG LYS 38 -3.560 21.720 -0.527 294 HD2 LYS 38 1HD LYS 38 -4.570 22.476 -2.639 295 HD3 LYS 38 2HD LYS 38 -4.858 24.082 -1.928 296 HE2 LYS 38 1HE LYS 38 -2.445 24.389 -1.620 297 HE3 LYS 38 2HE LYS 38 -2.145 22.775 -2.302 298 HZ1 LYS 38 3HZ LYS 38 -3.372 25.041 -3.737 299 HZ2 LYS 38 1HZ LYS 38 -1.825 24.505 -3.937 300 HZ3 LYS 38 2HZ LYS 38 -3.094 23.544 -4.371 301 H ILE 39 H ILE 39 -6.897 22.872 3.028 302 HA ILE 39 HA ILE 39 -9.312 21.100 3.030 303 HB ILE 39 HB ILE 39 -8.360 23.218 5.016 304 HG12 ILE 39 1HG1 ILE 39 -8.472 20.234 5.348 305 HG13 ILE 39 2HG1 ILE 39 -7.016 21.137 4.868 306 HG21 ILE 39 1HG2 ILE 39 -10.178 22.358 6.452 307 HG22 ILE 39 2HG2 ILE 39 -10.823 23.021 4.932 308 HG23 ILE 39 3HG2 ILE 39 -10.689 21.260 5.148 309 HD11 ILE 39 3HD1 ILE 39 -8.553 21.494 7.465 310 HD12 ILE 39 1HD1 ILE 39 -7.001 20.645 7.282 311 HD13 ILE 39 2HD1 ILE 39 -7.097 22.397 6.983 312 H TYR 40 H TYR 40 -10.964 21.595 1.917 313 HA TYR 40 HA TYR 40 -11.433 24.482 1.272 314 HB2 TYR 40 1HB TYR 40 -12.529 21.965 -0.006 315 HB3 TYR 40 2HB TYR 40 -12.856 23.638 -0.522 316 HD1 TYR 40 HD2 TYR 40 -11.057 24.982 -1.571 317 HD2 TYR 40 HD1 TYR 40 -10.465 20.873 -0.596 318 HE1 TYR 40 HE2 TYR 40 -9.066 24.932 -3.034 319 HE2 TYR 40 HE1 TYR 40 -8.468 20.805 -2.059 320 HH TYR 40 HH TYR 40 -7.117 21.969 -3.465 321 H TRP 41 H TRP 41 -13.371 25.467 1.556 322 HA TRP 41 HA TRP 41 -15.117 24.116 3.582 323 HB2 TRP 41 1HB TRP 41 -14.524 27.053 3.029 324 HB3 TRP 41 2HB TRP 41 -15.836 26.502 4.098 325 HD1 TRP 41 HD1 TRP 41 -12.148 26.715 3.815 326 HE1 TRP 41 HE1 TRP 41 -11.037 26.390 6.257 327 HE3 TRP 41 HE3 TRP 41 -16.346 25.397 6.361 328 HZ2 TRP 41 HZ2 TRP 41 -11.965 25.683 8.761 329 HZ3 TRP 41 HZ3 TRP 41 -16.229 24.907 8.725 330 HH2 TRP 41 HH2 TRP 41 -14.109 25.033 9.961 331 H PHE 42 H PHE 42 -17.132 23.613 3.146 332 HA PHE 42 HA PHE 42 -18.686 25.488 1.474 333 HB2 PHE 42 1HB PHE 42 -19.740 23.593 0.197 334 HB3 PHE 42 2HB PHE 42 -18.028 23.842 -0.210 335 HD1 PHE 42 HD2 PHE 42 -16.327 22.273 0.562 336 HD2 PHE 42 HD1 PHE 42 -20.494 21.601 1.226 337 HE1 PHE 42 HE2 PHE 42 -15.865 19.892 1.034 338 HE2 PHE 42 HE1 PHE 42 -20.035 19.219 1.701 339 HZ PHE 42 HZ PHE 42 -17.721 18.364 1.605 340 H LYS 43 H LYS 43 -20.807 25.633 1.980 341 HA LYS 43 HA LYS 43 -21.504 24.234 4.543 342 HB2 LYS 43 1HB LYS 43 -21.127 26.744 4.523 343 HB3 LYS 43 2HB LYS 43 -22.593 26.855 3.522 344 HG2 LYS 43 1HG LYS 43 -22.792 25.333 6.081 345 HG3 LYS 43 2HG LYS 43 -22.633 27.103 6.200 346 HD2 LYS 43 1HD LYS 43 -24.548 27.327 4.604 347 HD3 LYS 43 2HD LYS 43 -24.748 25.559 4.659 348 HE2 LYS 43 1HE LYS 43 -24.981 25.780 7.171 349 HE3 LYS 43 2HE LYS 43 -25.058 27.539 6.931 350 HZ1 LYS 43 3HZ LYS 43 -26.921 25.569 5.769 351 HZ2 LYS 43 1HZ LYS 43 -27.249 26.562 7.046 352 HZ3 LYS 43 2HZ LYS 43 -26.993 27.201 5.544 353 H ASP 44 H ASP 44 -22.872 22.660 4.293 354 HA ASP 44 HA ASP 44 -24.557 21.348 3.372 355 HB2 ASP 44 1HB ASP 44 -25.900 24.095 3.009 356 HB3 ASP 44 2HB ASP 44 -26.547 22.461 2.734 357 H GLY 45 H GLY 45 -22.381 22.180 1.643 358 HA2 GLY 45 1HA GLY 45 -22.021 21.291 -0.538 359 HA3 GLY 45 2HA GLY 45 -23.757 21.471 -0.889 360 H LYS 46 H LYS 46 -22.876 24.248 0.640 361 HA LYS 46 HA LYS 46 -22.663 25.689 -1.959 362 HB2 LYS 46 1HB LYS 46 -23.160 26.688 0.849 363 HB3 LYS 46 2HB LYS 46 -23.154 27.679 -0.629 364 HG2 LYS 46 1HG LYS 46 -25.105 26.497 -1.477 365 HG3 LYS 46 2HG LYS 46 -25.080 25.398 -0.078 366 HD2 LYS 46 1HD LYS 46 -25.508 27.283 1.431 367 HD3 LYS 46 2HD LYS 46 -25.490 28.404 0.050 368 HE2 LYS 46 1HE LYS 46 -27.404 27.147 -0.933 369 HE3 LYS 46 2HE LYS 46 -27.458 26.149 0.539 370 HZ1 LYS 46 3HZ LYS 46 -27.848 29.071 0.435 371 HZ2 LYS 46 1HZ LYS 46 -29.044 27.950 0.628 372 HZ3 LYS 46 2HZ LYS 46 -27.899 28.147 1.799 373 H GLN 47 H GLN 47 -20.638 25.670 -2.657 374 HA GLN 47 HA GLN 47 -18.295 25.653 -1.094 375 HB2 GLN 47 1HB GLN 47 -18.439 25.265 -3.541 376 HB3 GLN 47 2HB GLN 47 -18.710 27.010 -3.764 377 HG2 GLN 47 1HG GLN 47 -16.226 27.341 -2.720 378 HG3 GLN 47 2HG GLN 47 -16.464 25.579 -2.643 379 HE21 GLN 47 2HE2 GLN 47 -14.253 26.571 -3.898 380 HE22 GLN 47 1HE2 GLN 47 -14.386 26.356 -5.612 381 H ILE 48 H ILE 48 -17.228 27.006 0.112 382 HA ILE 48 HA ILE 48 -18.226 29.829 0.254 383 HB ILE 48 HB ILE 48 -16.514 28.183 2.177 384 HG12 ILE 48 1HG1 ILE 48 -19.325 29.203 2.489 385 HG13 ILE 48 2HG1 ILE 48 -18.885 27.544 2.020 386 HG21 ILE 48 1HG2 ILE 48 -16.762 30.113 3.701 387 HG22 ILE 48 2HG2 ILE 48 -15.918 30.581 2.207 388 HG23 ILE 48 3HG2 ILE 48 -17.631 31.005 2.430 389 HD11 ILE 48 3HD1 ILE 48 -18.151 28.906 4.635 390 HD12 ILE 48 1HD1 ILE 48 -19.417 27.676 4.421 391 HD13 ILE 48 2HD1 ILE 48 -17.709 27.248 4.164 392 H SER 49 H SER 49 -17.216 31.413 -0.591 393 HA SER 49 HA SER 49 -14.431 31.143 -1.591 394 HB2 SER 49 1HB SER 49 -15.952 32.177 -2.972 395 HB3 SER 49 2HB SER 49 -16.395 33.348 -1.708 396 HG SER 49 HG SER 49 -14.185 34.033 -1.752 397 HA PRO 50 HA PRO 50 -12.584 32.714 2.184 398 HB2 PRO 50 1HB PRO 50 -10.454 33.538 0.176 399 HB3 PRO 50 2HB PRO 50 -10.261 32.622 1.677 400 HG2 PRO 50 1HG PRO 50 -10.121 31.348 -0.662 401 HG3 PRO 50 2HG PRO 50 -10.971 30.590 0.690 402 HD2 PRO 50 1HD PRO 50 -12.141 32.019 -1.733 403 HD3 PRO 50 2HD PRO 50 -12.709 30.548 -0.932 404 H LYS 51 H LYS 51 -12.598 34.560 3.190 405 HA LYS 51 HA LYS 51 -13.006 36.819 3.557 406 HB2 LYS 51 1HB LYS 51 -11.640 37.055 0.871 407 HB3 LYS 51 2HB LYS 51 -11.961 38.395 1.997 408 HG2 LYS 51 1HG LYS 51 -10.492 37.343 3.670 409 HG3 LYS 51 2HG LYS 51 -10.169 36.004 2.544 410 HD2 LYS 51 1HD LYS 51 -9.187 37.594 0.936 411 HD3 LYS 51 2HD LYS 51 -9.505 38.930 2.069 412 HE2 LYS 51 1HE LYS 51 -8.016 37.936 3.716 413 HE3 LYS 51 2HE LYS 51 -7.754 36.526 2.665 414 HZ1 LYS 51 3HZ LYS 51 -6.976 39.300 2.034 415 HZ2 LYS 51 1HZ LYS 51 -5.948 38.100 2.507 416 HZ3 LYS 51 2HZ LYS 51 -6.733 37.992 1.059 417 H SER 52 H SER 52 -15.229 35.614 2.878 418 HA SER 52 HA SER 52 -16.558 37.087 0.627 419 HB2 SER 52 1HB SER 52 -16.821 34.710 0.902 420 HB3 SER 52 2HB SER 52 -17.698 35.036 2.414 421 HG SER 52 HG SER 52 -19.112 34.880 0.646 422 H ASP 53 H ASP 53 -19.101 37.164 1.675 423 HA ASP 53 HA ASP 53 -19.162 39.727 2.892 424 HB2 ASP 53 1HB ASP 53 -21.329 37.543 2.830 425 HB3 ASP 53 2HB ASP 53 -21.411 39.194 3.491 426 H HIS 54 H HIS 54 -19.430 36.508 4.376 427 HA HIS 54 HA HIS 54 -18.783 37.784 6.996 428 HB2 HIS 54 1HB HIS 54 -21.033 35.775 6.522 429 HB3 HIS 54 2HB HIS 54 -20.468 36.337 8.114 430 HD2 HIS 54 HD2 HIS 54 -23.099 37.359 5.436 431 HE1 HIS 54 HE1 HIS 54 -22.531 40.620 8.098 432 HE2 HIS 54 HE2 HIS 54 -23.987 39.579 6.173 433 H TYR 55 H TYR 55 -17.977 35.590 4.683 434 HA TYR 55 HA TYR 55 -16.969 33.582 6.671 435 HB2 TYR 55 1HB TYR 55 -17.691 33.341 3.748 436 HB3 TYR 55 2HB TYR 55 -16.825 32.086 4.671 437 HD1 TYR 55 HD1 TYR 55 -18.547 32.833 7.259 438 HD2 TYR 55 HD2 TYR 55 -19.501 31.703 3.259 439 HE1 TYR 55 HE1 TYR 55 -20.710 31.916 8.042 440 HE2 TYR 55 HE2 TYR 55 -21.664 30.783 4.025 441 HH TYR 55 HH TYR 55 -23.187 31.465 6.641 442 H THR 56 H THR 56 -15.052 34.464 7.234 443 HA THR 56 HA THR 56 -13.102 35.006 5.044 444 HB THR 56 HB THR 56 -12.897 35.474 8.050 445 HG1 THR 56 HG1 THR 56 -13.083 37.691 7.370 446 HG21 THR 56 1HG2 THR 56 -10.874 36.766 7.467 447 HG22 THR 56 2HG2 THR 56 -10.707 35.061 6.984 448 HG23 THR 56 3HG2 THR 56 -11.069 36.302 5.761 449 H ILE 57 H ILE 57 -11.917 33.438 4.326 450 HA ILE 57 HA ILE 57 -11.265 31.161 6.173 451 HB ILE 57 HB ILE 57 -11.217 31.367 3.125 452 HG12 ILE 57 1HG1 ILE 57 -12.957 29.691 4.915 453 HG13 ILE 57 2HG1 ILE 57 -13.437 31.246 4.193 454 HG21 ILE 57 1HG2 ILE 57 -10.659 28.959 3.184 455 HG22 ILE 57 2HG2 ILE 57 -9.401 29.926 3.987 456 HG23 ILE 57 3HG2 ILE 57 -10.581 29.020 4.961 457 HD11 ILE 57 3HD1 ILE 57 -12.653 28.740 2.662 458 HD12 ILE 57 1HD1 ILE 57 -14.310 29.350 2.884 459 HD13 ILE 57 2HD1 ILE 57 -13.132 30.294 1.941 460 H GLN 58 H GLN 58 -9.348 30.737 6.855 461 HA GLN 58 HA GLN 58 -7.038 31.915 5.363 462 HB2 GLN 58 1HB GLN 58 -7.408 33.223 7.380 463 HB3 GLN 58 2HB GLN 58 -7.417 31.735 8.355 464 HG2 GLN 58 1HG GLN 58 -5.007 32.603 8.610 465 HG3 GLN 58 2HG GLN 58 -5.288 31.276 7.458 466 HE21 GLN 58 2HE2 GLN 58 -3.466 31.689 6.225 467 HE22 GLN 58 1HE2 GLN 58 -3.305 33.094 5.226 468 H ARG 59 H ARG 59 -5.996 30.339 4.448 469 HA ARG 59 HA ARG 59 -5.951 27.681 5.821 470 HB2 ARG 59 1HB ARG 59 -6.942 27.777 3.606 471 HB3 ARG 59 2HB ARG 59 -5.367 28.297 2.962 472 HG2 ARG 59 1HG ARG 59 -4.356 26.193 3.720 473 HG3 ARG 59 2HG ARG 59 -5.926 25.673 4.378 474 HD2 ARG 59 1HD ARG 59 -5.281 26.189 1.492 475 HD3 ARG 59 2HD ARG 59 -5.434 24.602 2.281 476 HE ARG 59 HE ARG 59 -7.941 25.060 2.382 477 HH11 ARG 59 1HH1 ARG 59 -6.109 27.385 0.541 478 HH12 ARG 59 2HH1 ARG 59 -7.563 27.863 -0.313 479 HH21 ARG 59 1HH2 ARG 59 -9.617 25.602 1.419 480 HH22 ARG 59 2HH2 ARG 59 -9.564 26.848 0.188 481 H ASP 60 H ASP 60 -4.306 27.801 7.234 482 HA ASP 60 HA ASP 60 -1.642 28.680 6.465 483 HB2 ASP 60 1HB ASP 60 -2.533 28.496 8.910 484 HB3 ASP 60 2HB ASP 60 -2.461 26.755 8.542 485 H LEU 61 H LEU 61 -0.073 27.695 5.455 486 HA LEU 61 HA LEU 61 -0.679 25.269 4.012 487 HB2 LEU 61 1HB LEU 61 1.779 26.809 4.521 488 HB3 LEU 61 2HB LEU 61 1.816 25.484 3.336 489 HG LEU 61 HG LEU 61 0.179 28.044 3.158 490 HD11 LEU 61 1HD1 LEU 61 1.625 28.505 1.160 491 HD12 LEU 61 2HD1 LEU 61 2.599 28.344 2.640 492 HD13 LEU 61 3HD1 LEU 61 2.517 26.999 1.477 493 HD21 LEU 61 3HD2 LEU 61 -1.054 26.165 2.248 494 HD22 LEU 61 1HD2 LEU 61 -0.507 27.228 0.929 495 HD23 LEU 61 2HD2 LEU 61 0.343 25.695 1.248 496 H ASP 62 H ASP 62 0.531 25.825 7.146 497 HA ASP 62 HA ASP 62 2.158 23.469 7.448 498 HB2 ASP 62 1HB ASP 62 1.854 25.562 9.097 499 HB3 ASP 62 2HB ASP 62 0.417 24.599 9.520 500 H GLY 63 H GLY 63 -1.290 23.983 7.394 501 HA2 GLY 63 1HA GLY 63 -2.353 21.781 6.593 502 HA3 GLY 63 2HA GLY 63 -1.674 21.101 8.091 503 H THR 64 H THR 64 -2.404 24.220 8.814 504 HA THR 64 HA THR 64 -5.071 23.461 9.924 505 HB THR 64 HB THR 64 -3.197 25.761 10.621 506 HG1 THR 64 HG1 THR 64 -3.865 23.933 12.564 507 HG21 THR 64 1HG2 THR 64 -4.759 26.174 12.489 508 HG22 THR 64 2HG2 THR 64 -5.574 26.364 10.918 509 HG23 THR 64 3HG2 THR 64 -5.827 24.888 11.879 510 H CYS 65 H CYS 65 -6.905 24.386 9.382 511 HA CYS 65 HA CYS 65 -6.835 26.819 7.575 512 HB2 CYS 65 1HB CYS 65 -7.023 24.606 6.389 513 HB3 CYS 65 2HB CYS 65 -8.502 24.281 7.326 514 HG CYS 65 HG CYS 65 -8.012 26.909 5.461 515 H SER 66 H SER 66 -8.055 28.395 8.400 516 HA SER 66 HA SER 66 -10.071 27.723 10.560 517 HB2 SER 66 1HB SER 66 -8.540 30.215 10.137 518 HB3 SER 66 2HB SER 66 -9.733 29.858 11.405 519 HG SER 66 HG SER 66 -7.564 29.520 12.082 520 H LEU 67 H LEU 67 -12.123 28.512 10.407 521 HA LEU 67 HA LEU 67 -12.671 30.550 8.279 522 HB2 LEU 67 1HB LEU 67 -13.577 28.607 7.581 523 HB3 LEU 67 2HB LEU 67 -14.378 28.148 9.102 524 HG LEU 67 HG LEU 67 -15.825 30.201 8.853 525 HD11 LEU 67 1HD1 LEU 67 -15.983 31.198 6.557 526 HD12 LEU 67 2HD1 LEU 67 -14.361 31.430 7.252 527 HD13 LEU 67 3HD1 LEU 67 -14.634 30.163 6.031 528 HD21 LEU 67 3HD2 LEU 67 -16.662 27.991 8.312 529 HD22 LEU 67 1HD2 LEU 67 -17.324 29.186 7.172 530 HD23 LEU 67 2HD2 LEU 67 -15.999 28.111 6.665 531 H HIS 68 H HIS 68 -13.100 32.429 9.097 532 HA HIS 68 HA HIS 68 -14.493 32.579 11.730 533 HB2 HIS 68 1HB HIS 68 -12.553 34.029 11.590 534 HB3 HIS 68 2HB HIS 68 -13.097 34.688 10.029 535 HD1 HIS 68 HD2 HIS 68 -14.345 34.529 13.636 536 HD2 HIS 68 HE1 HIS 68 -14.403 37.149 10.336 537 HE1 HIS 68 HE2 HIS 68 -15.523 36.534 14.387 538 H THR 69 H THR 69 -16.576 32.775 11.854 539 HA THR 69 HA THR 69 -18.054 33.987 9.552 540 HB THR 69 HB THR 69 -19.087 32.504 12.006 541 HG1 THR 69 HG1 THR 69 -19.619 30.931 10.315 542 HG21 THR 69 1HG2 THR 69 -21.251 32.539 10.816 543 HG22 THR 69 2HG2 THR 69 -20.679 34.191 11.152 544 HG23 THR 69 3HG2 THR 69 -20.521 33.510 9.516 545 H THR 70 H THR 70 -18.431 36.041 9.570 546 HA THR 70 HA THR 70 -17.938 37.664 11.917 547 HB THR 70 HB THR 70 -19.306 38.358 9.281 548 HG1 THR 70 HG1 THR 70 -17.210 39.267 8.846 549 HG21 THR 70 1HG2 THR 70 -18.819 40.699 9.906 550 HG22 THR 70 2HG2 THR 70 -19.902 39.931 11.092 551 HG23 THR 70 3HG2 THR 70 -18.176 40.147 11.470 552 H ALA 71 H ALA 71 -20.878 36.454 10.358 553 HA ALA 71 HA ALA 71 -22.375 37.207 12.801 554 HB1 ALA 71 3HB ALA 71 -23.216 38.022 10.002 555 HB2 ALA 71 1HB ALA 71 -24.192 38.210 11.475 556 HB3 ALA 71 2HB ALA 71 -22.675 39.116 11.290 557 H SER 72 H SER 72 -22.527 35.054 13.324 558 HA SER 72 HA SER 72 -23.470 33.007 11.427 559 HB2 SER 72 1HB SER 72 -21.899 32.570 13.171 560 HB3 SER 72 2HB SER 72 -23.190 32.846 14.362 561 HG SER 72 HG SER 72 -22.967 30.640 13.790 562 H THR 73 H THR 73 -25.483 34.191 10.769 563 HA THR 73 HA THR 73 -27.607 34.398 12.801 564 HB THR 73 HB THR 73 -29.003 35.226 10.989 565 HG1 THR 73 HG1 THR 73 -26.859 34.297 9.358 566 HG21 THR 73 1HG2 THR 73 -27.669 37.169 10.256 567 HG22 THR 73 2HG2 THR 73 -27.395 36.818 11.980 568 HG23 THR 73 3HG2 THR 73 -26.180 36.341 10.771 569 H LEU 74 H LEU 74 -29.847 33.587 11.953 570 HA LEU 74 HA LEU 74 -29.750 30.764 12.382 571 HB2 LEU 74 1HB LEU 74 -31.772 32.613 11.321 572 HB3 LEU 74 2HB LEU 74 -32.246 30.929 11.644 573 HG LEU 74 HG LEU 74 -31.241 32.935 13.700 574 HD11 LEU 74 1HD1 LEU 74 -33.581 32.810 14.597 575 HD12 LEU 74 2HD1 LEU 74 -33.562 33.412 12.924 576 HD13 LEU 74 3HD1 LEU 74 -34.020 31.726 13.258 577 HD21 LEU 74 3HD2 LEU 74 -30.561 30.671 14.235 578 HD22 LEU 74 1HD2 LEU 74 -31.831 31.205 15.362 579 HD23 LEU 74 2HD2 LEU 74 -32.231 30.090 14.032 580 H ASP 75 H ASP 75 -29.796 32.670 9.441 581 HA ASP 75 HA ASP 75 -30.357 30.407 7.692 582 HB2 ASP 75 1HB ASP 75 -29.198 33.196 7.098 583 HB3 ASP 75 2HB ASP 75 -29.493 31.836 5.986 584 H ASP 76 H ASP 76 -27.610 31.436 9.428 585 HA ASP 76 HA ASP 76 -25.737 30.043 7.585 586 HB2 ASP 76 1HB ASP 76 -25.151 31.524 10.219 587 HB3 ASP 76 2HB ASP 76 -24.073 30.708 9.061 588 H ASP 77 H ASP 77 -27.806 29.233 10.077 589 HA ASP 77 HA ASP 77 -26.233 27.156 11.345 590 HB2 ASP 77 1HB ASP 77 -28.446 28.119 12.278 591 HB3 ASP 77 2HB ASP 77 -29.137 27.315 10.849 592 H GLY 78 H GLY 78 -25.656 25.235 10.723 593 HA2 GLY 78 1HA GLY 78 -26.920 23.312 9.282 594 HA3 GLY 78 2HA GLY 78 -26.338 24.392 7.993 595 H ASN 79 H ASN 79 -25.096 22.492 7.313 596 HA ASN 79 HA ASN 79 -22.869 21.717 9.143 597 HB2 ASN 79 1HB ASN 79 -23.673 20.200 6.556 598 HB3 ASN 79 2HB ASN 79 -22.455 20.066 7.849 599 HD21 ASN 79 2HD2 ASN 79 -25.633 19.371 6.852 600 HD22 ASN 79 1HD2 ASN 79 -26.190 18.628 8.314 601 H TYR 80 H TYR 80 -21.184 22.995 9.017 602 HA TYR 80 HA TYR 80 -20.217 24.012 6.430 603 HB2 TYR 80 1HB TYR 80 -19.050 24.034 9.219 604 HB3 TYR 80 2HB TYR 80 -18.289 24.781 7.793 605 HD1 TYR 80 HD1 TYR 80 -21.289 24.920 9.997 606 HD2 TYR 80 HD2 TYR 80 -18.955 26.935 7.053 607 HE1 TYR 80 HE1 TYR 80 -22.597 26.987 10.384 608 HE2 TYR 80 HE2 TYR 80 -20.249 29.008 7.428 609 HH TYR 80 HH TYR 80 -23.160 29.102 9.273 610 H THR 81 H THR 81 -20.362 21.595 5.748 611 HA THR 81 HA THR 81 -18.287 19.809 6.652 612 HB THR 81 HB THR 81 -19.770 19.811 3.992 613 HG1 THR 81 HG1 THR 81 -21.141 18.305 5.118 614 HG21 THR 81 1HG2 THR 81 -19.229 17.401 3.990 615 HG22 THR 81 2HG2 THR 81 -17.749 18.389 4.021 616 HG23 THR 81 3HG2 THR 81 -18.325 17.602 5.510 617 H ILE 82 H ILE 82 -16.286 19.413 6.029 618 HA ILE 82 HA ILE 82 -15.151 21.194 3.886 619 HB ILE 82 HB ILE 82 -13.048 21.230 5.226 620 HG12 ILE 82 1HG1 ILE 82 -14.704 19.940 7.379 621 HG13 ILE 82 2HG1 ILE 82 -13.466 19.125 6.396 622 HG21 ILE 82 1HG2 ILE 82 -13.819 22.788 6.984 623 HG22 ILE 82 2HG2 ILE 82 -14.656 23.095 5.445 624 HG23 ILE 82 3HG2 ILE 82 -15.490 22.223 6.752 625 HD11 ILE 82 3HD1 ILE 82 -12.986 21.457 8.285 626 HD12 ILE 82 1HD1 ILE 82 -12.574 19.757 8.605 627 HD13 ILE 82 2HD1 ILE 82 -11.749 20.643 7.301 628 H MET 83 H MET 83 -13.242 20.485 2.857 629 HA MET 83 HA MET 83 -12.864 17.516 2.934 630 HB2 MET 83 1HB MET 83 -14.342 18.020 1.080 631 HB3 MET 83 2HB MET 83 -13.206 19.258 0.488 632 HG2 MET 83 1HG MET 83 -12.972 17.275 -0.867 633 HG3 MET 83 2HG MET 83 -11.513 17.477 0.132 634 HE1 MET 83 3HE MET 83 -14.591 15.299 -0.743 635 HE2 MET 83 1HE MET 83 -14.774 14.242 0.677 636 HE3 MET 83 2HE MET 83 -15.142 15.980 0.807 637 H ALA 84 H ALA 84 -10.888 17.116 3.508 638 HA ALA 84 HA ALA 84 -8.729 18.965 2.663 639 HB1 ALA 84 3HB ALA 84 -8.679 16.554 4.508 640 HB2 ALA 84 1HB ALA 84 -7.307 17.638 4.177 641 HB3 ALA 84 2HB ALA 84 -8.752 18.257 5.012 642 H ALA 85 H ALA 85 -7.954 18.671 0.709 643 HA ALA 85 HA ALA 85 -7.804 15.865 -0.314 644 HB1 ALA 85 3HB ALA 85 -8.233 18.444 -1.857 645 HB2 ALA 85 1HB ALA 85 -8.092 16.822 -2.567 646 HB3 ALA 85 2HB ALA 85 -9.468 17.212 -1.509 647 H ASN 86 H ASN 86 -5.918 15.066 -0.914 648 HA ASN 86 HA ASN 86 -3.848 16.953 -1.936 649 HB2 ASN 86 1HB ASN 86 -2.103 16.225 -0.361 650 HB3 ASN 86 2HB ASN 86 -3.722 16.298 0.376 651 HD21 ASN 86 2HD2 ASN 86 -1.641 14.873 1.493 652 HD22 ASN 86 1HD2 ASN 86 -2.005 13.181 1.418 653 HA PRO 87 HA PRO 87 -2.870 14.207 -5.083 654 HB2 PRO 87 1HB PRO 87 -0.156 13.517 -3.872 655 HB3 PRO 87 2HB PRO 87 -0.517 14.156 -5.482 656 HG2 PRO 87 1HG PRO 87 0.507 15.781 -3.635 657 HG3 PRO 87 2HG PRO 87 -0.780 16.377 -4.693 658 HD2 PRO 87 1HD PRO 87 -0.964 15.474 -1.790 659 HD3 PRO 87 2HD PRO 87 -1.785 16.821 -2.588 660 H GLN 88 H GLN 88 -2.505 12.964 -1.865 661 HA GLN 88 HA GLN 88 -2.232 10.187 -2.899 662 HB2 GLN 88 1HB GLN 88 -2.164 11.270 -0.073 663 HB3 GLN 88 2HB GLN 88 -1.806 9.602 -0.575 664 HG2 GLN 88 1HG GLN 88 0.069 12.053 -1.159 665 HG3 GLN 88 2HG GLN 88 0.051 10.637 -0.085 666 HE21 GLN 88 2HE2 GLN 88 1.198 11.866 -2.964 667 HE22 GLN 88 1HE2 GLN 88 1.581 10.382 -3.772 668 H GLY 89 H GLY 89 -4.687 12.280 -2.179 669 HA2 GLY 89 1HA GLY 89 -6.881 10.837 -2.523 670 HA3 GLY 89 2HA GLY 89 -6.415 10.224 -0.919 671 H ARG 90 H ARG 90 -8.531 11.097 -0.280 672 HA ARG 90 HA ARG 90 -8.201 13.836 0.774 673 HB2 ARG 90 1HB ARG 90 -10.231 14.693 -0.012 674 HB3 ARG 90 2HB ARG 90 -9.165 14.261 -1.370 675 HG2 ARG 90 1HG ARG 90 -10.485 12.174 -1.684 676 HG3 ARG 90 2HG ARG 90 -11.594 12.722 -0.403 677 HD2 ARG 90 1HD ARG 90 -12.110 14.695 -1.762 678 HD3 ARG 90 2HD ARG 90 -11.091 14.026 -3.057 679 HE ARG 90 HE ARG 90 -13.187 12.105 -2.491 680 HH11 ARG 90 1HH1 ARG 90 -12.862 15.315 -3.813 681 HH12 ARG 90 2HH1 ARG 90 -14.269 15.047 -4.825 682 HH21 ARG 90 1HH2 ARG 90 -14.804 11.785 -3.637 683 HH22 ARG 90 2HH2 ARG 90 -15.377 13.035 -4.726 684 H VAL 91 H VAL 91 -9.679 14.387 2.423 685 HA VAL 91 HA VAL 91 -11.511 12.232 3.386 686 HB VAL 91 HB VAL 91 -9.322 11.903 4.595 687 HG11 VAL 91 1HG1 VAL 91 -8.651 13.621 6.242 688 HG12 VAL 91 2HG1 VAL 91 -8.574 14.259 4.582 689 HG13 VAL 91 3HG1 VAL 91 -9.935 14.697 5.643 690 HG21 VAL 91 3HG2 VAL 91 -11.423 11.253 5.610 691 HG22 VAL 91 1HG2 VAL 91 -10.297 11.883 6.836 692 HG23 VAL 91 2HG2 VAL 91 -11.642 12.897 6.258 693 H SER 92 H SER 92 -13.303 12.877 4.298 694 HA SER 92 HA SER 92 -13.876 15.829 4.169 695 HB2 SER 92 1HB SER 92 -16.085 15.309 4.056 696 HB3 SER 92 2HB SER 92 -15.194 14.339 2.859 697 HG SER 92 HG SER 92 -16.767 13.122 3.996 698 H CYS 93 H CYS 93 -15.210 16.757 5.845 699 HA CYS 93 HA CYS 93 -15.614 15.260 8.397 700 HB2 CYS 93 1HB CYS 93 -13.287 16.084 8.471 701 HB3 CYS 93 2HB CYS 93 -13.850 17.729 8.085 702 HG CYS 93 HG CYS 93 -15.279 18.017 10.193 703 H THR 94 H THR 94 -17.520 15.860 9.221 704 HA THR 94 HA THR 94 -18.999 18.055 7.932 705 HB THR 94 HB THR 94 -19.814 16.164 10.176 706 HG1 THR 94 HG1 THR 94 -20.959 15.135 8.431 707 HG21 THR 94 1HG2 THR 94 -22.107 16.881 9.605 708 HG22 THR 94 2HG2 THR 94 -21.119 18.263 10.136 709 HG23 THR 94 3HG2 THR 94 -21.454 18.021 8.406 710 H GLY 95 H GLY 95 -19.184 20.038 8.579 711 HA2 GLY 95 1HA GLY 95 -18.175 20.709 11.306 712 HA3 GLY 95 2HA GLY 95 -18.258 21.825 9.922 713 H ARG 96 H ARG 96 -20.542 19.657 11.648 714 HA ARG 96 HA ARG 96 -22.845 21.275 11.145 715 HB2 ARG 96 1HB ARG 96 -22.787 18.879 11.807 716 HB3 ARG 96 2HB ARG 96 -22.531 19.447 13.473 717 HG2 ARG 96 1HG ARG 96 -24.854 20.451 11.839 718 HG3 ARG 96 2HG ARG 96 -24.943 18.884 12.679 719 HD2 ARG 96 1HD ARG 96 -24.417 20.051 14.779 720 HD3 ARG 96 2HD ARG 96 -24.510 21.591 13.894 721 HE ARG 96 HE ARG 96 -26.887 20.000 14.721 722 HH11 ARG 96 1HH1 ARG 96 -25.684 22.579 12.706 723 HH12 ARG 96 2HH1 ARG 96 -27.311 23.203 12.523 724 HH21 ARG 96 1HH2 ARG 96 -28.756 20.708 14.528 725 HH22 ARG 96 2HH2 ARG 96 -29.064 22.138 13.562 726 H LEU 97 H LEU 97 -22.999 23.322 11.661 727 HA LEU 97 HA LEU 97 -22.531 24.015 14.540 728 HB2 LEU 97 1HB LEU 97 -21.881 25.251 12.035 729 HB3 LEU 97 2HB LEU 97 -22.497 26.452 13.193 730 HG LEU 97 HG LEU 97 -20.693 25.226 14.767 731 HD11 LEU 97 1HD1 LEU 97 -18.618 24.777 13.430 732 HD12 LEU 97 2HD1 LEU 97 -19.939 23.682 12.961 733 HD13 LEU 97 3HD1 LEU 97 -19.535 25.079 11.935 734 HD21 LEU 97 3HD2 LEU 97 -20.832 27.613 14.370 735 HD22 LEU 97 1HD2 LEU 97 -19.141 27.076 14.249 736 HD23 LEU 97 2HD2 LEU 97 -20.073 27.422 12.772 737 H MET 98 H MET 98 -24.040 25.135 15.642 738 HA MET 98 HA MET 98 -26.697 25.339 14.252 739 HB2 MET 98 1HB MET 98 -26.595 23.378 15.677 740 HB3 MET 98 2HB MET 98 -26.042 24.379 17.041 741 HG2 MET 98 1HG MET 98 -28.168 25.543 17.104 742 HG3 MET 98 2HG MET 98 -28.723 24.674 15.653 743 HE1 MET 98 3HE MET 98 -28.083 24.559 19.493 744 HE2 MET 98 1HE MET 98 -28.172 22.820 19.862 745 HE3 MET 98 2HE MET 98 -26.803 23.461 18.919 746 H VAL 99 H VAL 99 -27.985 27.022 14.660 747 HA VAL 99 HA VAL 99 -26.774 29.221 16.337 748 HB VAL 99 HB VAL 99 -28.413 29.453 13.781 749 HG11 VAL 99 1HG1 VAL 99 -27.913 31.866 13.989 750 HG12 VAL 99 2HG1 VAL 99 -28.829 31.277 15.396 751 HG13 VAL 99 3HG1 VAL 99 -27.076 31.559 15.529 752 HG21 VAL 99 3HG2 VAL 99 -26.167 28.675 13.310 753 HG22 VAL 99 1HG2 VAL 99 -26.375 30.361 12.783 754 HG23 VAL 99 2HG2 VAL 99 -25.483 30.000 14.280 755 H GLN 100 H GLN 100 -27.901 30.189 17.804 756 HA GLN 100 HA GLN 100 -30.759 29.332 18.089 757 HB2 GLN 100 1HB GLN 100 -28.814 30.420 20.134 758 HB3 GLN 100 2HB GLN 100 -30.508 29.971 20.442 759 HG2 GLN 100 1HG GLN 100 -29.749 27.436 19.821 760 HG3 GLN 100 2HG GLN 100 -28.255 28.375 19.592 761 HE21 GLN 100 2HE2 GLN 100 -28.219 26.204 21.241 762 HE22 GLN 100 1HE2 GLN 100 -28.096 26.707 22.895 763 H ALA 101 H ALA 101 -32.376 30.752 18.400 764 HA ALA 101 HA ALA 101 -31.919 33.422 17.336 765 HB1 ALA 101 3HB ALA 101 -34.398 32.166 18.564 766 HB2 ALA 101 1HB ALA 101 -34.343 33.709 17.680 767 HB3 ALA 101 2HB ALA 101 -33.980 32.186 16.835 768 H VAL 102 H VAL 102 -32.341 35.409 18.334 769 HA VAL 102 HA VAL 102 -31.881 35.379 21.309 770 HB VAL 102 HB VAL 102 -31.373 37.568 19.249 771 HG11 VAL 102 1HG1 VAL 102 -30.304 38.752 21.138 772 HG12 VAL 102 2HG1 VAL 102 -32.026 38.447 21.466 773 HG13 VAL 102 3HG1 VAL 102 -30.780 37.434 22.234 774 HG21 VAL 102 3HG2 VAL 102 -29.781 35.755 19.031 775 HG22 VAL 102 1HG2 VAL 102 -29.007 37.196 19.730 776 HG23 VAL 102 2HG2 VAL 102 -29.436 35.822 20.776 777 H ASN 103 H ASN 103 -33.507 35.682 22.539 778 HA ASN 103 HA ASN 103 -36.064 36.545 21.469 779 HB2 ASN 103 1HB ASN 103 -35.339 36.050 24.450 780 HB3 ASN 103 2HB ASN 103 -36.776 36.617 23.566 781 HD21 ASN 103 2HD2 ASN 103 -36.221 34.193 25.202 782 HD22 ASN 103 1HD2 ASN 103 -36.664 32.858 24.190 783 H GLN 104 H GLN 104 -33.360 38.198 22.835 784 HA GLN 104 HA GLN 104 -34.958 40.586 23.528 785 HB2 GLN 104 1HB GLN 104 -31.969 40.106 23.468 786 HB3 GLN 104 2HB GLN 104 -32.783 41.555 24.102 787 HG2 GLN 104 1HG GLN 104 -32.874 38.739 25.491 788 HG3 GLN 104 2HG GLN 104 -32.089 40.313 25.757 789 HE21 GLN 104 2HE2 GLN 104 -34.647 38.379 26.624 790 HE22 GLN 104 1HE2 GLN 104 -35.731 39.589 27.228 791 H ARG 105 H ARG 105 -33.783 39.266 20.720 792 HA ARG 105 HA ARG 105 -32.950 41.729 19.393 793 HB2 ARG 105 1HB ARG 105 -32.130 39.589 18.691 794 HB3 ARG 105 2HB ARG 105 -33.778 39.111 18.220 795 HG2 ARG 105 1HG ARG 105 -33.819 40.946 16.567 796 HG3 ARG 105 2HG ARG 105 -32.152 41.374 17.019 797 HD2 ARG 105 1HD ARG 105 -32.944 38.694 15.942 798 HD3 ARG 105 2HD ARG 105 -32.432 40.061 14.924 799 HE ARG 105 HE ARG 105 -30.569 38.399 16.534 800 HH11 ARG 105 1HH1 ARG 105 -31.005 41.416 14.842 801 HH12 ARG 105 2HH1 ARG 105 -29.268 41.619 14.742 802 HH21 ARG 105 1HH2 ARG 105 -28.576 38.612 16.422 803 HH22 ARG 105 2HH2 ARG 105 -27.882 40.020 15.642 804 H GLY 106 H GLY 106 -34.188 43.350 18.917 805 HA2 GLY 106 1HA GLY 106 -37.071 43.143 19.000 806 HA3 GLY 106 2HA GLY 106 -36.118 44.574 18.534 807 H ARG 107 H ARG 107 -34.712 42.614 16.563 808 HA ARG 107 HA ARG 107 -36.609 43.132 14.338 809 HB2 ARG 107 1HB ARG 107 -33.763 42.230 14.325 810 HB3 ARG 107 2HB ARG 107 -34.789 42.467 12.891 811 HG2 ARG 107 1HG ARG 107 -35.021 44.845 13.437 812 HG3 ARG 107 2HG ARG 107 -34.021 44.615 14.892 813 HD2 ARG 107 1HD ARG 107 -32.145 43.991 13.479 814 HD3 ARG 107 2HD ARG 107 -33.150 44.282 12.040 815 HE ARG 107 HE ARG 107 -33.049 46.774 13.461 816 HH11 ARG 107 1HH1 ARG 107 -30.742 44.630 11.966 817 HH12 ARG 107 2HH1 ARG 107 -29.709 45.994 11.590 818 HH21 ARG 107 1HH2 ARG 107 -31.873 48.345 13.046 819 HH22 ARG 107 2HH2 ARG 107 -30.351 48.114 12.207 820 H SER 108 H SER 108 -36.071 40.688 16.507 821 HA SER 108 HA SER 108 -36.207 38.319 14.795 822 HB2 SER 108 1HB SER 108 -35.259 38.190 16.907 823 HB3 SER 108 2HB SER 108 -36.785 38.687 17.671 824 HG SER 108 HG SER 108 -36.338 36.357 16.118 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -1.135 2.677 -0.011 2 H2 GLY 1 2H GLY 1 -0.692 1.354 -0.562 3 H3 GLY 1 3H GLY 1 0.326 2.351 -0.094 4 HA2 GLY 1 1HA GLY 1 -0.654 2.123 -2.751 5 HA3 GLY 1 2HA GLY 1 -1.179 3.691 -2.096 6 H GLY 2 H GLY 2 1.448 1.810 -3.335 7 HA2 GLY 2 1HA GLY 2 3.563 2.422 -4.044 8 HA3 GLY 2 2HA GLY 2 3.045 4.118 -3.896 9 H SER 3 H SER 3 4.569 5.147 -2.778 10 HA SER 3 HA SER 3 5.148 4.336 0.035 11 HB2 SER 3 1HB SER 3 7.411 4.095 -0.137 12 HB3 SER 3 2HB SER 3 6.613 2.922 -1.210 13 HG SER 3 HG SER 3 8.412 3.944 -2.192 14 H ASN 4 H ASN 4 6.621 5.927 1.050 15 HA ASN 4 HA ASN 4 7.052 8.139 1.635 16 HB2 ASN 4 1HB ASN 4 8.539 7.858 -0.706 17 HB3 ASN 4 2HB ASN 4 7.067 8.772 -1.115 18 HD21 ASN 4 2HD2 ASN 4 8.694 10.367 -1.756 19 HD22 ASN 4 1HD2 ASN 4 9.273 11.476 -0.558 20 H ALA 5 H ALA 5 4.390 7.551 1.581 21 HA ALA 5 HA ALA 5 3.290 10.222 1.093 22 HB1 ALA 5 3HB ALA 5 2.171 7.809 -0.376 23 HB2 ALA 5 1HB ALA 5 1.432 9.426 -0.317 24 HB3 ALA 5 2HB ALA 5 3.003 9.198 -1.118 25 H THR 6 H THR 6 1.225 10.560 2.031 26 HA THR 6 HA THR 6 0.298 8.427 3.896 27 HB THR 6 HB THR 6 0.972 11.265 4.778 28 HG1 THR 6 HG1 THR 6 2.182 8.753 5.418 29 HG21 THR 6 1HG2 THR 6 0.365 10.433 7.023 30 HG22 THR 6 2HG2 THR 6 -1.013 10.313 5.902 31 HG23 THR 6 3HG2 THR 6 -0.077 8.859 6.320 32 H ALA 7 H ALA 7 -1.795 8.246 4.009 33 HA ALA 7 HA ALA 7 -3.488 9.802 2.322 34 HB1 ALA 7 3HB ALA 7 -4.211 8.008 4.661 35 HB2 ALA 7 1HB ALA 7 -5.338 8.606 3.420 36 HB3 ALA 7 2HB ALA 7 -4.021 7.497 2.968 37 HA PRO 8 HA PRO 8 -4.517 13.335 4.694 38 HB2 PRO 8 1HB PRO 8 -7.190 13.651 3.956 39 HB3 PRO 8 2HB PRO 8 -5.860 14.082 2.873 40 HG2 PRO 8 1HG PRO 8 -7.519 11.543 2.942 41 HG3 PRO 8 2HG PRO 8 -7.020 12.507 1.546 42 HD2 PRO 8 1HD PRO 8 -5.679 10.234 2.184 43 HD3 PRO 8 2HD PRO 8 -4.796 11.638 1.572 44 H PHE 9 H PHE 9 -5.390 13.975 6.561 45 HA PHE 9 HA PHE 9 -7.384 12.393 7.979 46 HB2 PHE 9 1HB PHE 9 -5.519 10.829 8.243 47 HB3 PHE 9 2HB PHE 9 -4.462 12.141 8.811 48 HD1 PHE 9 HD1 PHE 9 -7.587 10.303 9.630 49 HD2 PHE 9 HD2 PHE 9 -4.308 12.646 11.048 50 HE1 PHE 9 HE1 PHE 9 -8.271 9.844 11.961 51 HE2 PHE 9 HE2 PHE 9 -4.988 12.188 13.381 52 HZ PHE 9 HZ PHE 9 -6.972 10.787 13.837 53 H PHE 10 H PHE 10 -8.283 13.469 9.598 54 HA PHE 10 HA PHE 10 -7.224 16.180 10.192 55 HB2 PHE 10 1HB PHE 10 -9.812 14.760 10.961 56 HB3 PHE 10 2HB PHE 10 -9.385 16.414 11.454 57 HD1 PHE 10 HD2 PHE 10 -8.774 18.035 9.501 58 HD2 PHE 10 HD1 PHE 10 -11.051 14.444 9.079 59 HE1 PHE 10 HE2 PHE 10 -9.773 18.916 7.418 60 HE2 PHE 10 HE1 PHE 10 -12.049 15.321 6.993 61 HZ PHE 10 HZ PHE 10 -11.410 17.557 6.163 62 H GLU 11 H GLU 11 -5.479 15.996 11.457 63 HA GLU 11 HA GLU 11 -5.495 14.350 13.877 64 HB2 GLU 11 1HB GLU 11 -3.387 15.331 14.345 65 HB3 GLU 11 2HB GLU 11 -3.449 14.930 12.612 66 HG2 GLU 11 1HG GLU 11 -3.810 17.358 12.066 67 HG3 GLU 11 2HG GLU 11 -3.922 17.621 13.820 68 H MET 12 H MET 12 -6.664 17.480 13.028 69 HA MET 12 HA MET 12 -7.731 17.597 15.812 70 HB2 MET 12 1HB MET 12 -5.886 19.206 15.635 71 HB3 MET 12 2HB MET 12 -6.689 19.952 14.232 72 HG2 MET 12 1HG MET 12 -8.589 20.584 15.646 73 HG3 MET 12 2HG MET 12 -7.805 19.821 17.051 74 HE1 MET 12 3HE MET 12 -8.132 22.933 14.809 75 HE2 MET 12 1HE MET 12 -6.584 23.787 15.021 76 HE3 MET 12 2HE MET 12 -6.639 22.254 14.114 77 H LYS 13 H LYS 13 -9.803 17.245 15.640 78 HA LYS 13 HA LYS 13 -11.112 17.881 13.041 79 HB2 LYS 13 1HB LYS 13 -11.941 16.128 15.354 80 HB3 LYS 13 2HB LYS 13 -12.887 16.387 13.869 81 HG2 LYS 13 1HG LYS 13 -11.055 15.393 12.542 82 HG3 LYS 13 2HG LYS 13 -10.137 15.109 14.040 83 HD2 LYS 13 1HD LYS 13 -11.916 13.638 14.868 84 HD3 LYS 13 2HD LYS 13 -12.867 13.944 13.395 85 HE2 LYS 13 1HE LYS 13 -11.068 12.955 12.035 86 HE3 LYS 13 2HE LYS 13 -10.130 12.637 13.512 87 HZ1 LYS 13 3HZ LYS 13 -12.769 11.483 12.876 88 HZ2 LYS 13 1HZ LYS 13 -11.327 10.688 12.782 89 HZ3 LYS 13 2HZ LYS 13 -11.900 11.189 14.247 90 H LEU 14 H LEU 14 -13.407 18.511 13.093 91 HA LEU 14 HA LEU 14 -13.746 20.813 14.898 92 HB2 LEU 14 1HB LEU 14 -15.396 19.579 12.789 93 HB3 LEU 14 2HB LEU 14 -15.883 21.127 13.518 94 HG LEU 14 HG LEU 14 -13.383 20.609 11.859 95 HD11 LEU 14 1HD1 LEU 14 -14.471 22.169 10.222 96 HD12 LEU 14 2HD1 LEU 14 -15.477 20.731 10.512 97 HD13 LEU 14 3HD1 LEU 14 -15.888 22.278 11.291 98 HD21 LEU 14 3HD2 LEU 14 -12.951 22.223 13.617 99 HD22 LEU 14 1HD2 LEU 14 -12.999 23.044 12.038 100 HD23 LEU 14 2HD2 LEU 14 -14.387 23.164 13.146 101 H LYS 15 H LYS 15 -15.969 21.190 15.826 102 HA LYS 15 HA LYS 15 -17.208 18.653 16.806 103 HB2 LYS 15 1HB LYS 15 -17.407 19.543 19.025 104 HB3 LYS 15 2HB LYS 15 -15.695 19.466 18.544 105 HG2 LYS 15 1HG LYS 15 -15.742 21.895 18.064 106 HG3 LYS 15 2HG LYS 15 -17.435 21.955 18.607 107 HD2 LYS 15 1HD LYS 15 -16.728 21.146 20.838 108 HD3 LYS 15 2HD LYS 15 -15.036 21.154 20.288 109 HE2 LYS 15 1HE LYS 15 -15.169 23.568 19.880 110 HE3 LYS 15 2HE LYS 15 -16.868 23.568 20.406 111 HZ1 LYS 15 3HZ LYS 15 -14.552 22.859 22.090 112 HZ2 LYS 15 1HZ LYS 15 -15.393 24.277 22.163 113 HZ3 LYS 15 2HZ LYS 15 -16.128 22.860 22.578 114 H HIS 16 H HIS 16 -19.273 19.270 18.102 115 HA HIS 16 HA HIS 16 -21.009 20.721 16.268 116 HB2 HIS 16 1HB HIS 16 -21.778 18.747 17.626 117 HB3 HIS 16 2HB HIS 16 -21.610 19.744 19.092 118 HD1 HIS 16 HD1 HIS 16 -24.260 18.907 19.076 119 HD2 HIS 16 HD2 HIS 16 -23.201 22.073 16.503 120 HE1 HIS 16 HE1 HIS 16 -26.356 20.003 18.458 121 H TYR 17 H TYR 17 -20.946 22.812 16.046 122 HA TYR 17 HA TYR 17 -20.258 24.492 18.414 123 HB2 TYR 17 1HB TYR 17 -20.481 25.176 15.475 124 HB3 TYR 17 2HB TYR 17 -19.953 26.272 16.775 125 HD1 TYR 17 HD2 TYR 17 -17.877 25.482 18.151 126 HD2 TYR 17 HD1 TYR 17 -18.872 23.953 14.298 127 HE1 TYR 17 HE2 TYR 17 -15.544 24.717 17.865 128 HE2 TYR 17 HE1 TYR 17 -16.538 23.180 13.994 129 HH TYR 17 HH TYR 17 -14.039 23.713 16.481 130 H LYS 18 H LYS 18 -21.488 26.115 19.187 131 HA LYS 18 HA LYS 18 -24.176 26.517 17.940 132 HB2 LYS 18 1HB LYS 18 -23.583 26.004 20.858 133 HB3 LYS 18 2HB LYS 18 -25.125 26.639 20.233 134 HG2 LYS 18 1HG LYS 18 -25.393 24.558 18.893 135 HG3 LYS 18 2HG LYS 18 -23.904 23.923 19.634 136 HD2 LYS 18 1HD LYS 18 -24.948 24.113 21.866 137 HD3 LYS 18 2HD LYS 18 -26.441 24.714 21.108 138 HE2 LYS 18 1HE LYS 18 -26.662 22.607 19.864 139 HE3 LYS 18 2HE LYS 18 -25.165 22.005 20.613 140 HZ1 LYS 18 3HZ LYS 18 -27.642 22.706 22.055 141 HZ2 LYS 18 1HZ LYS 18 -27.118 21.174 21.737 142 HZ3 LYS 18 2HZ LYS 18 -26.253 22.148 22.750 143 H ILE 19 H ILE 19 -24.970 28.520 17.964 144 HA ILE 19 HA ILE 19 -23.634 30.638 19.553 145 HB ILE 19 HB ILE 19 -22.313 30.364 17.353 146 HG12 ILE 19 1HG1 ILE 19 -22.378 32.808 16.875 147 HG13 ILE 19 2HG1 ILE 19 -23.707 32.930 18.051 148 HG21 ILE 19 1HG2 ILE 19 -23.388 31.321 15.344 149 HG22 ILE 19 2HG2 ILE 19 -24.253 29.871 15.902 150 HG23 ILE 19 3HG2 ILE 19 -24.916 31.487 16.239 151 HD11 ILE 19 3HD1 ILE 19 -20.898 31.928 18.637 152 HD12 ILE 19 1HD1 ILE 19 -21.549 33.523 19.082 153 HD13 ILE 19 2HD1 ILE 19 -22.227 32.049 19.814 154 H PHE 20 H PHE 20 -24.770 32.464 19.853 155 HA PHE 20 HA PHE 20 -27.626 32.382 19.239 156 HB2 PHE 20 1HB PHE 20 -25.797 34.471 20.482 157 HB3 PHE 20 2HB PHE 20 -27.529 34.751 20.192 158 HD1 PHE 20 HD1 PHE 20 -27.474 31.421 20.842 159 HD2 PHE 20 HD2 PHE 20 -26.779 35.146 22.815 160 HE1 PHE 20 HE1 PHE 20 -28.009 30.368 23.014 161 HE2 PHE 20 HE2 PHE 20 -27.310 34.096 24.989 162 HZ PHE 20 HZ PHE 20 -27.927 31.706 25.088 163 H GLU 21 H GLU 21 -28.812 33.616 17.872 164 HA GLU 21 HA GLU 21 -27.727 34.027 15.284 165 HB2 GLU 21 1HB GLU 21 -30.117 33.734 15.814 166 HB3 GLU 21 2HB GLU 21 -30.130 35.359 16.542 167 HG2 GLU 21 1HG GLU 21 -29.522 36.312 14.240 168 HG3 GLU 21 2HG GLU 21 -29.586 34.620 13.698 169 H GLY 22 H GLY 22 -26.401 35.438 14.483 170 HA2 GLY 22 1HA GLY 22 -26.127 37.735 13.771 171 HA3 GLY 22 2HA GLY 22 -26.703 38.270 15.368 172 H MET 23 H MET 23 -24.916 35.892 16.382 173 HA MET 23 HA MET 23 -22.628 37.677 16.945 174 HB2 MET 23 1HB MET 23 -23.481 34.968 17.954 175 HB3 MET 23 2HB MET 23 -21.960 35.764 18.427 176 HG2 MET 23 1HG MET 23 -23.287 37.673 19.310 177 HG3 MET 23 2HG MET 23 -24.776 36.774 18.931 178 HE1 MET 23 3HE MET 23 -21.708 37.178 21.289 179 HE2 MET 23 1HE MET 23 -21.697 35.650 22.200 180 HE3 MET 23 2HE MET 23 -21.281 35.657 20.469 181 HA PRO 24 HA PRO 24 -19.819 35.711 14.201 182 HB2 PRO 24 1HB PRO 24 -17.433 36.281 15.432 183 HB3 PRO 24 2HB PRO 24 -18.395 37.587 14.723 184 HG2 PRO 24 1HG PRO 24 -18.216 36.711 17.624 185 HG3 PRO 24 2HG PRO 24 -18.170 38.347 16.956 186 HD2 PRO 24 1HD PRO 24 -20.474 37.267 18.014 187 HD3 PRO 24 2HD PRO 24 -20.519 38.447 16.698 188 H VAL 25 H VAL 25 -18.535 33.948 13.898 189 HA VAL 25 HA VAL 25 -18.175 32.117 16.249 190 HB VAL 25 HB VAL 25 -19.308 31.274 13.548 191 HG11 VAL 25 1HG1 VAL 25 -19.594 29.088 14.666 192 HG12 VAL 25 2HG1 VAL 25 -17.885 29.581 14.652 193 HG13 VAL 25 3HG1 VAL 25 -18.846 29.744 16.141 194 HG21 VAL 25 3HG2 VAL 25 -20.978 32.518 14.786 195 HG22 VAL 25 1HG2 VAL 25 -21.382 30.785 14.744 196 HG23 VAL 25 2HG2 VAL 25 -20.697 31.503 16.221 197 H THR 26 H THR 26 -16.246 31.434 16.462 198 HA THR 26 HA THR 26 -14.508 31.341 14.014 199 HB THR 26 HB THR 26 -12.590 31.844 15.471 200 HG1 THR 26 HG1 THR 26 -13.039 32.463 17.669 201 HG21 THR 26 1HG2 THR 26 -13.125 34.193 16.012 202 HG22 THR 26 2HG2 THR 26 -13.783 33.737 14.422 203 HG23 THR 26 3HG2 THR 26 -14.859 33.839 15.834 204 H PHE 27 H PHE 27 -13.710 29.486 13.457 205 HA PHE 27 HA PHE 27 -12.841 27.555 15.492 206 HB2 PHE 27 1HB PHE 27 -14.201 25.683 14.531 207 HB3 PHE 27 2HB PHE 27 -15.204 26.912 15.334 208 HD1 PHE 27 HD2 PHE 27 -16.504 28.513 13.986 209 HD2 PHE 27 HD1 PHE 27 -14.433 25.206 12.247 210 HE1 PHE 27 HE2 PHE 27 -17.882 28.726 11.944 211 HE2 PHE 27 HE1 PHE 27 -15.807 25.417 10.203 212 HZ PHE 27 HZ PHE 27 -17.531 27.178 10.051 213 H THR 28 H THR 28 -11.797 25.650 14.528 214 HA THR 28 HA THR 28 -10.711 26.056 11.819 215 HB THR 28 HB THR 28 -9.388 27.672 13.227 216 HG1 THR 28 HG1 THR 28 -7.491 27.008 12.310 217 HG21 THR 28 1HG2 THR 28 -7.804 26.745 14.880 218 HG22 THR 28 2HG2 THR 28 -9.490 26.426 15.358 219 HG23 THR 28 3HG2 THR 28 -8.506 25.127 14.645 220 H CYS 29 H CYS 29 -9.117 24.439 11.225 221 HA CYS 29 HA CYS 29 -9.243 21.896 12.843 222 HB2 CYS 29 1HB CYS 29 -11.260 22.188 11.339 223 HB3 CYS 29 2HB CYS 29 -10.144 22.235 9.951 224 HG CYS 29 HG CYS 29 -9.140 19.914 10.333 225 H ARG 30 H ARG 30 -7.599 20.463 12.352 226 HA ARG 30 HA ARG 30 -5.473 21.516 10.511 227 HB2 ARG 30 1HB ARG 30 -4.924 22.039 12.792 228 HB3 ARG 30 2HB ARG 30 -5.040 20.314 13.210 229 HG2 ARG 30 1HG ARG 30 -3.178 19.798 11.728 230 HG3 ARG 30 2HG ARG 30 -3.093 21.498 11.208 231 HD2 ARG 30 1HD ARG 30 -2.402 22.180 13.377 232 HD3 ARG 30 2HD ARG 30 -2.633 20.533 14.010 233 HE ARG 30 HE ARG 30 -0.447 19.961 13.001 234 HH11 ARG 30 1HH1 ARG 30 -1.476 23.112 11.920 235 HH12 ARG 30 2HH1 ARG 30 0.130 23.429 11.293 236 HH21 ARG 30 1HH2 ARG 30 1.395 20.304 12.280 237 HH22 ARG 30 2HH2 ARG 30 1.768 21.827 11.498 238 H VAL 31 H VAL 31 -4.492 20.149 9.202 239 HA VAL 31 HA VAL 31 -5.330 17.255 9.368 240 HB VAL 31 HB VAL 31 -4.918 17.188 6.925 241 HG11 VAL 31 1HG1 VAL 31 -6.884 18.509 6.217 242 HG12 VAL 31 2HG1 VAL 31 -7.203 17.655 7.744 243 HG13 VAL 31 3HG1 VAL 31 -6.843 19.398 7.757 244 HG21 VAL 31 3HG2 VAL 31 -3.251 18.940 6.772 245 HG22 VAL 31 1HG2 VAL 31 -4.600 19.251 5.655 246 HG23 VAL 31 2HG2 VAL 31 -4.476 20.167 7.176 247 H ALA 32 H ALA 32 -3.877 15.677 8.589 248 HA ALA 32 HA ALA 32 -1.030 16.485 8.530 249 HB1 ALA 32 3HB ALA 32 -2.129 14.417 10.465 250 HB2 ALA 32 1HB ALA 32 -0.408 14.764 10.179 251 HB3 ALA 32 2HB ALA 32 -1.456 16.007 10.898 252 H GLY 33 H GLY 33 -1.477 15.972 6.278 253 HA2 GLY 33 1HA GLY 33 -1.192 13.019 5.844 254 HA3 GLY 33 2HA GLY 33 -2.055 14.090 4.715 255 H ASN 34 H ASN 34 -0.389 12.915 3.289 256 HA ASN 34 HA ASN 34 1.742 14.867 2.759 257 HB2 ASN 34 3HB ASN 34 2.726 13.181 4.475 258 HB3 ASN 34 2HB ASN 34 2.469 11.895 3.320 259 HD21 ASN 34 2HD2 ASN 34 4.936 12.496 4.442 260 HD22 ASN 34 1HD2 ASN 34 5.987 13.025 3.024 261 HA PRO 35 HA PRO 35 2.264 15.894 1.411 262 HB2 PRO 35 1HB PRO 35 0.453 17.016 -0.719 263 HB3 PRO 35 2HB PRO 35 2.194 17.252 -0.518 264 HG2 PRO 35 1HG PRO 35 1.265 15.706 -2.505 265 HG3 PRO 35 2HG PRO 35 2.737 15.249 -1.639 266 HD2 PRO 35 1HD PRO 35 -0.094 14.160 -1.280 267 HD3 PRO 35 2HD PRO 35 1.431 13.269 -1.347 268 H LYS 36 H LYS 36 1.449 17.697 2.456 269 HA LYS 36 HA LYS 36 -0.785 17.160 4.126 270 HB2 LYS 36 1HB LYS 36 0.559 19.758 3.384 271 HB3 LYS 36 2HB LYS 36 -0.685 19.596 4.647 272 HG2 LYS 36 1HG LYS 36 0.789 18.016 5.864 273 HG3 LYS 36 2HG LYS 36 2.041 18.257 4.622 274 HD2 LYS 36 1HD LYS 36 2.127 20.655 5.167 275 HD3 LYS 36 2HD LYS 36 0.871 20.419 6.405 276 HE2 LYS 36 1HE LYS 36 2.346 18.901 7.635 277 HE3 LYS 36 2HE LYS 36 3.599 19.091 6.387 278 HZ1 LYS 36 3HZ LYS 36 2.555 21.247 8.109 279 HZ2 LYS 36 1HZ LYS 36 4.015 20.501 8.285 280 HZ3 LYS 36 2HZ LYS 36 3.716 21.424 6.951 281 HA PRO 37 HA PRO 37 -4.149 17.742 1.376 282 HB2 PRO 37 1HB PRO 37 -5.611 18.145 4.021 283 HB3 PRO 37 2HB PRO 37 -6.020 17.054 2.691 284 HG2 PRO 37 1HG PRO 37 -4.929 16.060 4.914 285 HG3 PRO 37 2HG PRO 37 -4.420 15.437 3.339 286 HD2 PRO 37 1HD PRO 37 -2.949 17.316 5.209 287 HD3 PRO 37 2HD PRO 37 -2.291 16.092 4.117 288 H LYS 38 H LYS 38 -5.182 19.349 0.445 289 HA LYS 38 HA LYS 38 -4.769 22.065 1.576 290 HB2 LYS 38 1HB LYS 38 -5.917 21.110 -1.048 291 HB3 LYS 38 2HB LYS 38 -5.722 22.812 -0.567 292 HG2 LYS 38 1HG LYS 38 -3.294 22.532 -0.474 293 HG3 LYS 38 2HG LYS 38 -3.462 20.810 -0.888 294 HD2 LYS 38 1HD LYS 38 -4.449 21.414 -3.053 295 HD3 LYS 38 2HD LYS 38 -4.319 23.139 -2.638 296 HE2 LYS 38 1HE LYS 38 -1.851 22.852 -2.432 297 HE3 LYS 38 2HE LYS 38 -2.035 21.173 -2.991 298 HZ1 LYS 38 3HZ LYS 38 -2.774 23.581 -4.526 299 HZ2 LYS 38 1HZ LYS 38 -1.439 22.649 -4.789 300 HZ3 LYS 38 2HZ LYS 38 -2.946 22.025 -5.045 301 H ILE 39 H ILE 39 -6.124 22.443 3.203 302 HA ILE 39 HA ILE 39 -8.733 21.237 3.410 303 HB ILE 39 HB ILE 39 -7.479 23.637 4.818 304 HG12 ILE 39 1HG1 ILE 39 -8.017 20.853 5.814 305 HG13 ILE 39 2HG1 ILE 39 -6.461 21.416 5.164 306 HG21 ILE 39 1HG2 ILE 39 -9.335 23.434 6.437 307 HG22 ILE 39 2HG2 ILE 39 -9.944 23.825 4.813 308 HG23 ILE 39 3HG2 ILE 39 -10.073 22.163 5.434 309 HD11 ILE 39 3HD1 ILE 39 -7.876 22.536 7.608 310 HD12 ILE 39 1HD1 ILE 39 -6.462 21.457 7.627 311 HD13 ILE 39 2HD1 ILE 39 -6.319 23.100 6.957 312 H TYR 40 H TYR 40 -10.446 21.550 2.315 313 HA TYR 40 HA TYR 40 -11.057 24.357 1.439 314 HB2 TYR 40 1HB TYR 40 -12.027 21.697 0.366 315 HB3 TYR 40 2HB TYR 40 -12.603 23.295 -0.167 316 HD1 TYR 40 HD2 TYR 40 -10.774 24.923 -1.071 317 HD2 TYR 40 HD1 TYR 40 -10.224 20.707 -0.750 318 HE1 TYR 40 HE2 TYR 40 -8.938 25.047 -2.721 319 HE2 TYR 40 HE1 TYR 40 -8.382 20.813 -2.403 320 HH TYR 40 HH TYR 40 -7.365 23.890 -3.893 321 H TRP 41 H TRP 41 -13.047 25.236 1.779 322 HA TRP 41 HA TRP 41 -14.738 23.777 3.787 323 HB2 TRP 41 1HB TRP 41 -14.214 26.765 3.504 324 HB3 TRP 41 2HB TRP 41 -15.400 26.038 4.614 325 HD1 TRP 41 HD1 TRP 41 -11.789 26.575 4.082 326 HE1 TRP 41 HE1 TRP 41 -10.441 26.028 6.359 327 HE3 TRP 41 HE3 TRP 41 -15.622 24.541 6.728 328 HZ2 TRP 41 HZ2 TRP 41 -11.082 24.905 8.802 329 HZ3 TRP 41 HZ3 TRP 41 -15.254 23.748 8.983 330 HH2 TRP 41 HH2 TRP 41 -13.050 23.902 10.058 331 H PHE 42 H PHE 42 -16.832 23.518 3.438 332 HA PHE 42 HA PHE 42 -18.250 25.426 1.687 333 HB2 PHE 42 1HB PHE 42 -19.305 23.609 0.345 334 HB3 PHE 42 2HB PHE 42 -17.552 23.711 0.060 335 HD1 PHE 42 HD2 PHE 42 -16.046 22.026 1.004 336 HD2 PHE 42 HD1 PHE 42 -20.295 21.692 1.289 337 HE1 PHE 42 HE2 PHE 42 -15.819 19.619 1.524 338 HE2 PHE 42 HE1 PHE 42 -20.073 19.285 1.811 339 HZ PHE 42 HZ PHE 42 -17.836 18.249 1.928 340 H LYS 43 H LYS 43 -20.444 25.541 2.012 341 HA LYS 43 HA LYS 43 -21.256 24.293 4.618 342 HB2 LYS 43 1HB LYS 43 -20.899 26.797 4.485 343 HB3 LYS 43 2HB LYS 43 -22.299 26.841 3.386 344 HG2 LYS 43 1HG LYS 43 -22.656 25.463 6.009 345 HG3 LYS 43 2HG LYS 43 -22.509 27.236 6.038 346 HD2 LYS 43 1HD LYS 43 -24.305 27.301 4.247 347 HD3 LYS 43 2HD LYS 43 -24.545 25.561 4.535 348 HE2 LYS 43 1HE LYS 43 -24.853 26.190 7.001 349 HE3 LYS 43 2HE LYS 43 -24.995 27.870 6.435 350 HZ1 LYS 43 3HZ LYS 43 -26.712 25.626 5.590 351 HZ2 LYS 43 1HZ LYS 43 -27.145 26.819 6.647 352 HZ3 LYS 43 2HZ LYS 43 -26.846 27.183 5.065 353 H ASP 44 H ASP 44 -22.574 22.675 4.371 354 HA ASP 44 HA ASP 44 -24.240 21.318 3.480 355 HB2 ASP 44 1HB ASP 44 -25.588 24.044 3.004 356 HB3 ASP 44 2HB ASP 44 -26.229 22.398 2.782 357 H GLY 45 H GLY 45 -22.053 22.076 1.738 358 HA2 GLY 45 1HA GLY 45 -21.701 21.074 -0.403 359 HA3 GLY 45 2HA GLY 45 -23.425 21.306 -0.783 360 H LYS 46 H LYS 46 -22.492 24.104 0.657 361 HA LYS 46 HA LYS 46 -22.183 25.437 -1.991 362 HB2 LYS 46 1HB LYS 46 -22.751 26.552 0.758 363 HB3 LYS 46 2HB LYS 46 -22.680 27.486 -0.755 364 HG2 LYS 46 1HG LYS 46 -24.621 26.296 -1.623 365 HG3 LYS 46 2HG LYS 46 -24.666 25.263 -0.175 366 HD2 LYS 46 1HD LYS 46 -25.108 27.222 1.230 367 HD3 LYS 46 2HD LYS 46 -25.022 28.279 -0.199 368 HE2 LYS 46 1HE LYS 46 -26.925 27.007 -1.189 369 HE3 LYS 46 2HE LYS 46 -27.049 26.084 0.327 370 HZ1 LYS 46 3HZ LYS 46 -27.378 29.005 0.066 371 HZ2 LYS 46 1HZ LYS 46 -28.600 27.917 0.272 372 HZ3 LYS 46 2HZ LYS 46 -27.492 28.150 1.472 373 H GLN 47 H GLN 47 -20.136 25.344 -2.621 374 HA GLN 47 HA GLN 47 -17.836 25.384 -1.004 375 HB2 GLN 47 1HB GLN 47 -17.921 24.919 -3.443 376 HB3 GLN 47 2HB GLN 47 -18.179 26.658 -3.728 377 HG2 GLN 47 1HG GLN 47 -15.718 27.007 -2.625 378 HG3 GLN 47 2HG GLN 47 -15.966 25.249 -2.516 379 HE21 GLN 47 2HE2 GLN 47 -13.723 26.199 -3.738 380 HE22 GLN 47 1HE2 GLN 47 -13.816 25.950 -5.450 381 H ILE 48 H ILE 48 -16.812 26.770 0.199 382 HA ILE 48 HA ILE 48 -17.832 29.585 0.254 383 HB ILE 48 HB ILE 48 -16.115 28.003 2.227 384 HG12 ILE 48 1HG1 ILE 48 -18.929 29.009 2.528 385 HG13 ILE 48 2HG1 ILE 48 -18.496 27.355 2.037 386 HG21 ILE 48 1HG2 ILE 48 -16.399 29.963 3.706 387 HG22 ILE 48 2HG2 ILE 48 -15.548 30.410 2.210 388 HG23 ILE 48 3HG2 ILE 48 -17.268 30.816 2.410 389 HD11 ILE 48 3HD1 ILE 48 -17.745 28.685 4.664 390 HD12 ILE 48 1HD1 ILE 48 -19.017 27.461 4.443 391 HD13 ILE 48 2HD1 ILE 48 -17.311 27.031 4.173 392 H SER 49 H SER 49 -16.845 31.145 -0.655 393 HA SER 49 HA SER 49 -14.034 30.929 -1.581 394 HB2 SER 49 1HB SER 49 -15.547 31.923 -2.999 395 HB3 SER 49 2HB SER 49 -16.033 33.098 -1.756 396 HG SER 49 HG SER 49 -13.854 33.841 -1.770 397 HA PRO 50 HA PRO 50 -12.294 32.543 2.229 398 HB2 PRO 50 1HB PRO 50 -10.135 33.378 0.251 399 HB3 PRO 50 2HB PRO 50 -9.954 32.488 1.769 400 HG2 PRO 50 1HG PRO 50 -9.750 31.180 -0.546 401 HG3 PRO 50 2HG PRO 50 -10.615 30.430 0.802 402 HD2 PRO 50 1HD PRO 50 -11.758 31.796 -1.668 403 HD3 PRO 50 2HD PRO 50 -12.324 30.337 -0.848 404 H LYS 51 H LYS 51 -12.450 34.375 3.220 405 HA LYS 51 HA LYS 51 -12.929 36.624 3.564 406 HB2 LYS 51 1HB LYS 51 -11.441 36.911 0.948 407 HB3 LYS 51 2HB LYS 51 -11.850 38.230 2.070 408 HG2 LYS 51 1HG LYS 51 -10.436 37.183 3.802 409 HG3 LYS 51 2HG LYS 51 -10.013 35.884 2.662 410 HD2 LYS 51 1HD LYS 51 -9.000 37.532 1.146 411 HD3 LYS 51 2HD LYS 51 -9.435 38.840 2.272 412 HE2 LYS 51 1HE LYS 51 -8.009 37.872 3.995 413 HE3 LYS 51 2HE LYS 51 -7.618 36.502 2.930 414 HZ1 LYS 51 3HZ LYS 51 -6.937 39.325 2.411 415 HZ2 LYS 51 1HZ LYS 51 -5.883 38.162 2.917 416 HZ3 LYS 51 2HZ LYS 51 -6.574 38.055 1.423 417 H SER 52 H SER 52 -15.103 35.433 2.856 418 HA SER 52 HA SER 52 -16.352 36.782 0.485 419 HB2 SER 52 1HB SER 52 -16.618 34.420 0.883 420 HB3 SER 52 2HB SER 52 -17.560 34.828 2.335 421 HG SER 52 HG SER 52 -18.905 34.573 0.533 422 H ASP 53 H ASP 53 -18.930 36.912 1.431 423 HA ASP 53 HA ASP 53 -19.051 39.516 2.548 424 HB2 ASP 53 1HB ASP 53 -21.196 37.308 2.496 425 HB3 ASP 53 2HB ASP 53 -21.316 38.984 3.090 426 H HIS 54 H HIS 54 -19.380 36.356 4.148 427 HA HIS 54 HA HIS 54 -18.702 37.718 6.713 428 HB2 HIS 54 1HB HIS 54 -21.002 35.752 6.323 429 HB3 HIS 54 2HB HIS 54 -20.402 36.331 7.896 430 HD2 HIS 54 HD2 HIS 54 -23.012 37.390 5.199 431 HE1 HIS 54 HE1 HIS 54 -22.363 40.656 7.837 432 HE2 HIS 54 HE2 HIS 54 -23.840 39.639 5.914 433 H TYR 55 H TYR 55 -17.991 35.395 4.482 434 HA TYR 55 HA TYR 55 -17.063 33.418 6.535 435 HB2 TYR 55 1HB TYR 55 -17.589 33.135 3.571 436 HB3 TYR 55 2HB TYR 55 -16.916 31.862 4.621 437 HD1 TYR 55 HD1 TYR 55 -18.892 33.036 6.938 438 HD2 TYR 55 HD2 TYR 55 -19.391 31.424 3.024 439 HE1 TYR 55 HE1 TYR 55 -21.184 32.313 7.535 440 HE2 TYR 55 HE2 TYR 55 -21.681 30.692 3.601 441 HH TYR 55 HH TYR 55 -23.419 31.793 6.165 442 H THR 56 H THR 56 -15.143 34.220 7.170 443 HA THR 56 HA THR 56 -13.111 34.791 5.068 444 HB THR 56 HB THR 56 -13.015 35.173 8.093 445 HG1 THR 56 HG1 THR 56 -13.145 37.411 7.469 446 HG21 THR 56 1HG2 THR 56 -10.954 36.452 7.629 447 HG22 THR 56 2HG2 THR 56 -10.788 34.759 7.104 448 HG23 THR 56 3HG2 THR 56 -11.085 36.039 5.904 449 H ILE 57 H ILE 57 -11.729 33.357 4.427 450 HA ILE 57 HA ILE 57 -11.104 31.052 6.257 451 HB ILE 57 HB ILE 57 -10.997 31.247 3.212 452 HG12 ILE 57 1HG1 ILE 57 -12.707 29.524 4.988 453 HG13 ILE 57 2HG1 ILE 57 -13.233 31.032 4.203 454 HG21 ILE 57 1HG2 ILE 57 -10.331 28.869 3.298 455 HG22 ILE 57 2HG2 ILE 57 -9.138 29.897 4.122 456 HG23 ILE 57 3HG2 ILE 57 -10.296 28.941 5.075 457 HD11 ILE 57 3HD1 ILE 57 -12.288 28.520 2.776 458 HD12 ILE 57 1HD1 ILE 57 -13.977 29.059 2.928 459 HD13 ILE 57 2HD1 ILE 57 -12.814 30.028 1.992 460 H GLN 58 H GLN 58 -9.191 30.739 7.000 461 HA GLN 58 HA GLN 58 -6.902 32.029 5.565 462 HB2 GLN 58 1HB GLN 58 -7.403 33.342 7.545 463 HB3 GLN 58 2HB GLN 58 -7.380 31.869 8.544 464 HG2 GLN 58 1HG GLN 58 -5.026 32.856 8.879 465 HG3 GLN 58 2HG GLN 58 -5.200 31.500 7.739 466 HE21 GLN 58 2HE2 GLN 58 -3.352 31.978 6.569 467 HE22 GLN 58 1HE2 GLN 58 -3.218 33.375 5.554 468 H ARG 59 H ARG 59 -5.750 30.500 4.704 469 HA ARG 59 HA ARG 59 -5.596 27.868 6.118 470 HB2 ARG 59 1HB ARG 59 -6.501 27.915 3.847 471 HB3 ARG 59 2HB ARG 59 -4.912 28.475 3.277 472 HG2 ARG 59 1HG ARG 59 -3.895 26.404 4.197 473 HG3 ARG 59 2HG ARG 59 -5.521 25.839 4.649 474 HD2 ARG 59 1HD ARG 59 -4.521 26.390 1.873 475 HD3 ARG 59 2HD ARG 59 -4.755 24.796 2.627 476 HE ARG 59 HE ARG 59 -7.251 25.199 2.378 477 HH11 ARG 59 1HH1 ARG 59 -5.259 27.647 0.896 478 HH12 ARG 59 2HH1 ARG 59 -6.602 28.134 -0.120 479 HH21 ARG 59 1HH2 ARG 59 -8.801 25.751 1.228 480 HH22 ARG 59 2HH2 ARG 59 -8.623 27.054 0.070 481 H ASP 60 H ASP 60 -4.011 28.076 7.580 482 HA ASP 60 HA ASP 60 -1.390 29.152 6.911 483 HB2 ASP 60 1HB ASP 60 -2.371 28.927 9.320 484 HB3 ASP 60 2HB ASP 60 -2.147 27.194 8.980 485 H LEU 61 H LEU 61 0.341 28.255 6.077 486 HA LEU 61 HA LEU 61 -0.008 25.795 4.592 487 HB2 LEU 61 1HB LEU 61 2.305 27.489 5.280 488 HB3 LEU 61 2HB LEU 61 2.511 26.173 4.101 489 HG LEU 61 HG LEU 61 0.737 28.627 3.800 490 HD11 LEU 61 1HD1 LEU 61 2.296 29.183 1.914 491 HD12 LEU 61 2HD1 LEU 61 3.167 29.078 3.462 492 HD13 LEU 61 3HD1 LEU 61 3.253 27.734 2.298 493 HD21 LEU 61 3HD2 LEU 61 -0.307 26.680 2.802 494 HD22 LEU 61 1HD2 LEU 61 0.270 27.779 1.527 495 HD23 LEU 61 2HD2 LEU 61 1.186 26.300 1.910 496 H ASP 62 H ASP 62 0.869 26.411 7.812 497 HA ASP 62 HA ASP 62 2.618 24.173 8.280 498 HB2 ASP 62 1HB ASP 62 0.687 25.643 10.180 499 HB3 ASP 62 2HB ASP 62 1.790 24.287 10.522 500 H GLY 63 H GLY 63 -0.832 24.430 7.833 501 HA2 GLY 63 1HA GLY 63 -1.703 22.207 6.939 502 HA3 GLY 63 2HA GLY 63 -1.055 21.508 8.438 503 H THR 64 H THR 64 -2.085 24.569 9.170 504 HA THR 64 HA THR 64 -4.787 23.580 10.016 505 HB THR 64 HB THR 64 -3.106 25.845 11.173 506 HG1 THR 64 HG1 THR 64 -3.051 24.343 12.996 507 HG21 THR 64 1HG2 THR 64 -4.828 25.885 12.943 508 HG22 THR 64 2HG2 THR 64 -5.540 26.238 11.351 509 HG23 THR 64 3HG2 THR 64 -5.745 24.628 12.079 510 H CYS 65 H CYS 65 -6.584 24.552 9.422 511 HA CYS 65 HA CYS 65 -6.400 27.247 8.042 512 HB2 CYS 65 1HB CYS 65 -6.499 25.217 6.525 513 HB3 CYS 65 2HB CYS 65 -8.068 24.818 7.267 514 HG CYS 65 HG CYS 65 -8.359 25.729 4.899 515 H SER 66 H SER 66 -7.884 28.674 8.734 516 HA SER 66 HA SER 66 -9.925 27.759 10.770 517 HB2 SER 66 1HB SER 66 -8.638 30.402 10.439 518 HB3 SER 66 2HB SER 66 -9.868 29.923 11.632 519 HG SER 66 HG SER 66 -7.733 29.794 12.454 520 H LEU 67 H LEU 67 -12.033 28.332 10.533 521 HA LEU 67 HA LEU 67 -12.736 30.163 8.268 522 HB2 LEU 67 1HB LEU 67 -13.322 28.060 7.670 523 HB3 LEU 67 2HB LEU 67 -14.157 27.609 9.175 524 HG LEU 67 HG LEU 67 -15.849 29.401 8.689 525 HD11 LEU 67 1HD1 LEU 67 -15.966 30.261 6.336 526 HD12 LEU 67 2HD1 LEU 67 -14.451 30.752 7.129 527 HD13 LEU 67 3HD1 LEU 67 -14.450 29.406 5.964 528 HD21 LEU 67 3HD2 LEU 67 -16.327 27.071 8.215 529 HD22 LEU 67 1HD2 LEU 67 -17.059 28.108 6.966 530 HD23 LEU 67 2HD2 LEU 67 -15.562 27.210 6.613 531 H HIS 68 H HIS 68 -13.354 32.024 9.008 532 HA HIS 68 HA HIS 68 -14.780 32.084 11.643 533 HB2 HIS 68 1HB HIS 68 -13.054 34.188 10.259 534 HB3 HIS 68 2HB HIS 68 -13.985 34.469 11.750 535 HD1 HIS 68 HD2 HIS 68 -11.227 35.040 12.207 536 HD2 HIS 68 HE1 HIS 68 -12.550 31.044 12.409 537 HE1 HIS 68 HE2 HIS 68 -9.514 33.825 13.456 538 H THR 69 H THR 69 -16.833 32.488 11.641 539 HA THR 69 HA THR 69 -18.031 33.925 9.316 540 HB THR 69 HB THR 69 -19.347 32.469 11.647 541 HG1 THR 69 HG1 THR 69 -19.865 30.960 9.947 542 HG21 THR 69 1HG2 THR 69 -21.419 32.735 10.330 543 HG22 THR 69 2HG2 THR 69 -20.728 34.317 10.762 544 HG23 THR 69 3HG2 THR 69 -20.527 33.677 9.114 545 H THR 70 H THR 70 -18.408 35.978 9.359 546 HA THR 70 HA THR 70 -17.808 37.565 11.692 547 HB THR 70 HB THR 70 -19.267 38.312 9.121 548 HG1 THR 70 HG1 THR 70 -17.169 39.174 8.606 549 HG21 THR 70 1HG2 THR 70 -18.697 40.635 9.738 550 HG22 THR 70 2HG2 THR 70 -19.748 39.886 10.963 551 HG23 THR 70 3HG2 THR 70 -18.005 40.058 11.271 552 H ALA 71 H ALA 71 -20.873 36.584 10.178 553 HA ALA 71 HA ALA 71 -22.247 37.254 12.713 554 HB1 ALA 71 3HB ALA 71 -23.071 38.395 10.021 555 HB2 ALA 71 1HB ALA 71 -23.995 38.532 11.534 556 HB3 ALA 71 2HB ALA 71 -22.407 39.314 11.387 557 H SER 72 H SER 72 -22.551 35.071 13.025 558 HA SER 72 HA SER 72 -23.730 33.308 10.983 559 HB2 SER 72 1HB SER 72 -22.194 32.476 12.531 560 HB3 SER 72 2HB SER 72 -23.269 32.910 13.879 561 HG SER 72 HG SER 72 -23.880 31.122 11.762 562 H THR 73 H THR 73 -25.788 33.751 10.355 563 HA THR 73 HA THR 73 -27.820 34.235 12.505 564 HB THR 73 HB THR 73 -29.236 35.232 10.800 565 HG1 THR 73 HG1 THR 73 -27.120 34.510 9.020 566 HG21 THR 73 1HG2 THR 73 -27.873 37.199 10.180 567 HG22 THR 73 2HG2 THR 73 -27.565 36.710 11.865 568 HG23 THR 73 3HG2 THR 73 -26.392 36.301 10.592 569 H LEU 74 H LEU 74 -30.103 33.574 11.512 570 HA LEU 74 HA LEU 74 -30.118 30.719 11.697 571 HB2 LEU 74 1HB LEU 74 -32.044 32.709 10.708 572 HB3 LEU 74 2HB LEU 74 -32.575 31.025 10.922 573 HG LEU 74 HG LEU 74 -31.596 32.900 13.110 574 HD11 LEU 74 1HD1 LEU 74 -33.960 32.749 13.938 575 HD12 LEU 74 2HD1 LEU 74 -33.893 33.434 12.298 576 HD13 LEU 74 3HD1 LEU 74 -34.370 31.736 12.534 577 HD21 LEU 74 3HD2 LEU 74 -30.945 30.607 13.547 578 HD22 LEU 74 1HD2 LEU 74 -32.241 31.093 14.666 579 HD23 LEU 74 2HD2 LEU 74 -32.612 30.049 13.272 580 H ASP 75 H ASP 75 -29.927 32.881 8.957 581 HA ASP 75 HA ASP 75 -30.400 30.764 6.988 582 HB2 ASP 75 1HB ASP 75 -29.251 33.600 6.681 583 HB3 ASP 75 2HB ASP 75 -29.478 32.329 5.454 584 H ASP 76 H ASP 76 -27.760 31.745 8.933 585 HA ASP 76 HA ASP 76 -25.793 30.426 7.126 586 HB2 ASP 76 1HB ASP 76 -25.295 31.888 9.789 587 HB3 ASP 76 2HB ASP 76 -24.182 31.126 8.626 588 H ASP 77 H ASP 77 -27.775 29.745 9.831 589 HA ASP 77 HA ASP 77 -26.315 27.659 11.086 590 HB2 ASP 77 1HB ASP 77 -28.621 28.588 11.831 591 HB3 ASP 77 2HB ASP 77 -29.180 27.701 10.393 592 H GLY 78 H GLY 78 -25.627 25.754 10.529 593 HA2 GLY 78 1HA GLY 78 -26.808 23.790 9.027 594 HA3 GLY 78 2HA GLY 78 -26.063 24.830 7.790 595 H ASN 79 H ASN 79 -24.785 22.906 7.289 596 HA ASN 79 HA ASN 79 -22.692 22.270 9.342 597 HB2 ASN 79 1HB ASN 79 -23.415 20.401 6.970 598 HB3 ASN 79 2HB ASN 79 -22.306 20.432 8.362 599 HD21 ASN 79 2HD2 ASN 79 -25.363 19.576 7.220 600 HD22 ASN 79 1HD2 ASN 79 -26.084 19.124 8.729 601 H TYR 80 H TYR 80 -20.963 23.452 9.085 602 HA TYR 80 HA TYR 80 -20.029 24.218 6.391 603 HB2 TYR 80 1HB TYR 80 -18.883 24.640 9.160 604 HB3 TYR 80 2HB TYR 80 -18.173 25.268 7.650 605 HD1 TYR 80 HD1 TYR 80 -21.257 25.409 9.759 606 HD2 TYR 80 HD2 TYR 80 -18.894 27.328 6.770 607 HE1 TYR 80 HE1 TYR 80 -22.694 27.421 9.921 608 HE2 TYR 80 HE2 TYR 80 -20.320 29.343 6.922 609 HH TYR 80 HH TYR 80 -23.319 29.406 8.620 610 H THR 81 H THR 81 -19.862 21.949 5.692 611 HA THR 81 HA THR 81 -18.095 20.127 7.059 612 HB THR 81 HB THR 81 -19.039 20.081 4.160 613 HG1 THR 81 HG1 THR 81 -20.640 18.646 5.049 614 HG21 THR 81 1HG2 THR 81 -18.582 17.659 4.317 615 HG22 THR 81 2HG2 THR 81 -17.103 18.609 4.597 616 HG23 THR 81 3HG2 THR 81 -17.968 17.881 5.971 617 H ILE 82 H ILE 82 -16.026 19.670 6.901 618 HA ILE 82 HA ILE 82 -14.403 21.358 5.013 619 HB ILE 82 HB ILE 82 -13.761 21.891 7.273 620 HG12 ILE 82 1HG1 ILE 82 -11.859 19.822 6.202 621 HG13 ILE 82 2HG1 ILE 82 -11.961 21.521 5.687 622 HG21 ILE 82 1HG2 ILE 82 -13.168 20.150 8.924 623 HG22 ILE 82 2HG2 ILE 82 -14.857 19.978 8.391 624 HG23 ILE 82 3HG2 ILE 82 -13.607 18.887 7.750 625 HD11 ILE 82 3HD1 ILE 82 -11.242 20.547 8.475 626 HD12 ILE 82 1HD1 ILE 82 -10.102 21.180 7.266 627 HD13 ILE 82 2HD1 ILE 82 -11.345 22.248 7.959 628 H MET 83 H MET 83 -12.910 20.552 3.721 629 HA MET 83 HA MET 83 -12.855 17.552 3.535 630 HB2 MET 83 1HB MET 83 -14.236 18.500 1.784 631 HB3 MET 83 2HB MET 83 -12.934 19.630 1.338 632 HG2 MET 83 1HG MET 83 -11.536 17.795 0.595 633 HG3 MET 83 2HG MET 83 -12.737 16.608 1.158 634 HE1 MET 83 3HE MET 83 -11.774 19.265 -1.544 635 HE2 MET 83 1HE MET 83 -13.283 19.438 -2.472 636 HE3 MET 83 2HE MET 83 -13.196 20.035 -0.796 637 H ALA 84 H ALA 84 -10.968 16.730 3.903 638 HA ALA 84 HA ALA 84 -8.543 18.364 3.497 639 HB1 ALA 84 3HB ALA 84 -8.898 15.538 4.553 640 HB2 ALA 84 1HB ALA 84 -7.371 16.453 4.521 641 HB3 ALA 84 2HB ALA 84 -8.725 17.011 5.536 642 H ALA 85 H ALA 85 -9.066 18.468 1.144 643 HA ALA 85 HA ALA 85 -8.757 15.995 -0.380 644 HB1 ALA 85 3HB ALA 85 -8.902 18.894 -1.283 645 HB2 ALA 85 1HB ALA 85 -8.975 17.467 -2.344 646 HB3 ALA 85 2HB ALA 85 -10.270 17.764 -1.163 647 H ASN 86 H ASN 86 -6.938 15.069 -0.922 648 HA ASN 86 HA ASN 86 -4.731 16.778 -1.920 649 HB2 ASN 86 1HB ASN 86 -3.023 15.991 -0.330 650 HB3 ASN 86 2HB ASN 86 -4.628 16.231 0.406 651 HD21 ASN 86 2HD2 ASN 86 -2.697 14.723 1.630 652 HD22 ASN 86 1HD2 ASN 86 -3.178 13.059 1.636 653 HA PRO 87 HA PRO 87 -3.954 13.873 -4.982 654 HB2 PRO 87 1HB PRO 87 -1.256 13.119 -3.782 655 HB3 PRO 87 2HB PRO 87 -1.615 13.696 -5.415 656 HG2 PRO 87 1HG PRO 87 -0.491 15.361 -3.667 657 HG3 PRO 87 2HG PRO 87 -1.772 15.961 -4.729 658 HD2 PRO 87 1HD PRO 87 -1.938 15.208 -1.784 659 HD3 PRO 87 2HD PRO 87 -2.719 16.548 -2.633 660 H GLN 88 H GLN 88 -3.588 12.760 -1.719 661 HA GLN 88 HA GLN 88 -3.469 9.926 -2.619 662 HB2 GLN 88 1HB GLN 88 -3.362 11.132 0.153 663 HB3 GLN 88 2HB GLN 88 -3.081 9.427 -0.273 664 HG2 GLN 88 1HG GLN 88 -1.085 11.762 -0.924 665 HG3 GLN 88 2HG GLN 88 -1.176 10.364 0.174 666 HE21 GLN 88 2HE2 GLN 88 0.040 11.487 -2.718 667 HE22 GLN 88 1HE2 GLN 88 0.343 9.972 -3.504 668 H GLY 89 H GLY 89 -5.814 12.181 -1.985 669 HA2 GLY 89 1HA GLY 89 -8.068 10.858 -2.370 670 HA3 GLY 89 2HA GLY 89 -7.677 10.218 -0.758 671 H ARG 90 H ARG 90 -9.625 11.154 0.044 672 HA ARG 90 HA ARG 90 -9.177 13.872 1.064 673 HB2 ARG 90 1HB ARG 90 -11.174 14.847 0.332 674 HB3 ARG 90 2HB ARG 90 -10.156 14.384 -1.051 675 HG2 ARG 90 1HG ARG 90 -11.582 12.421 -1.445 676 HG3 ARG 90 2HG ARG 90 -12.601 12.884 -0.061 677 HD2 ARG 90 1HD ARG 90 -13.204 14.936 -1.209 678 HD3 ARG 90 2HD ARG 90 -12.214 14.436 -2.600 679 HE ARG 90 HE ARG 90 -14.229 12.407 -2.235 680 HH11 ARG 90 1HH1 ARG 90 -14.120 15.802 -3.021 681 HH12 ARG 90 2HH1 ARG 90 -15.580 15.634 -3.976 682 HH21 ARG 90 1HH2 ARG 90 -15.905 12.200 -3.318 683 HH22 ARG 90 2HH2 ARG 90 -16.600 13.580 -4.146 684 H VAL 91 H VAL 91 -10.341 14.378 2.871 685 HA VAL 91 HA VAL 91 -12.207 12.251 3.907 686 HB VAL 91 HB VAL 91 -10.121 13.777 5.522 687 HG11 VAL 91 1HG1 VAL 91 -10.871 12.310 7.366 688 HG12 VAL 91 2HG1 VAL 91 -12.213 13.304 6.752 689 HG13 VAL 91 3HG1 VAL 91 -12.095 11.588 6.295 690 HG21 VAL 91 3HG2 VAL 91 -9.058 12.089 4.148 691 HG22 VAL 91 1HG2 VAL 91 -9.048 11.608 5.861 692 HG23 VAL 91 2HG2 VAL 91 -10.206 10.860 4.735 693 H SER 92 H SER 92 -14.068 12.867 4.589 694 HA SER 92 HA SER 92 -14.663 15.824 4.676 695 HB2 SER 92 1HB SER 92 -15.905 14.715 3.109 696 HB3 SER 92 2HB SER 92 -16.401 13.471 4.280 697 HG SER 92 HG SER 92 -17.979 15.108 4.001 698 H CYS 93 H CYS 93 -15.101 16.783 6.558 699 HA CYS 93 HA CYS 93 -16.155 15.127 8.868 700 HB2 CYS 93 1HB CYS 93 -13.729 15.599 9.055 701 HB3 CYS 93 2HB CYS 93 -14.049 17.334 8.818 702 HG CYS 93 HG CYS 93 -15.504 17.616 10.914 703 H THR 94 H THR 94 -17.937 15.969 9.767 704 HA THR 94 HA THR 94 -19.216 18.233 8.466 705 HB THR 94 HB THR 94 -20.028 16.722 10.984 706 HG1 THR 94 HG1 THR 94 -21.405 15.610 9.473 707 HG21 THR 94 1HG2 THR 94 -22.278 17.605 10.477 708 HG22 THR 94 2HG2 THR 94 -21.119 18.926 10.752 709 HG23 THR 94 3HG2 THR 94 -21.614 18.506 9.095 710 H GLY 95 H GLY 95 -19.143 20.285 8.892 711 HA2 GLY 95 1HA GLY 95 -17.977 21.151 11.494 712 HA3 GLY 95 2HA GLY 95 -18.117 22.147 10.027 713 H ARG 96 H ARG 96 -20.290 20.256 12.177 714 HA ARG 96 HA ARG 96 -22.642 21.703 11.458 715 HB2 ARG 96 1HB ARG 96 -22.663 19.506 12.447 716 HB3 ARG 96 2HB ARG 96 -22.117 20.206 13.988 717 HG2 ARG 96 1HG ARG 96 -24.165 21.508 14.163 718 HG3 ARG 96 2HG ARG 96 -24.704 20.917 12.572 719 HD2 ARG 96 1HD ARG 96 -24.790 18.655 13.472 720 HD3 ARG 96 2HD ARG 96 -24.322 19.292 15.066 721 HE ARG 96 HE ARG 96 -26.815 20.558 14.227 722 HH11 ARG 96 1HH1 ARG 96 -25.612 17.474 15.325 723 HH12 ARG 96 2HH1 ARG 96 -27.174 17.109 16.029 724 HH21 ARG 96 1HH2 ARG 96 -28.612 20.150 15.021 725 HH22 ARG 96 2HH2 ARG 96 -28.887 18.633 15.855 726 H LEU 97 H LEU 97 -23.214 23.692 11.791 727 HA LEU 97 HA LEU 97 -22.617 24.866 14.478 728 HB2 LEU 97 1HB LEU 97 -21.190 25.863 13.058 729 HB3 LEU 97 2HB LEU 97 -22.342 26.209 11.747 730 HG LEU 97 HG LEU 97 -23.553 27.745 13.340 731 HD11 LEU 97 1HD1 LEU 97 -22.263 28.547 15.338 732 HD12 LEU 97 2HD1 LEU 97 -22.624 26.809 15.456 733 HD13 LEU 97 3HD1 LEU 97 -20.997 27.350 14.980 734 HD21 LEU 97 3HD2 LEU 97 -22.078 28.615 11.623 735 HD22 LEU 97 1HD2 LEU 97 -21.939 29.600 13.098 736 HD23 LEU 97 2HD2 LEU 97 -20.670 28.420 12.693 737 H MET 98 H MET 98 -24.403 25.015 15.564 738 HA MET 98 HA MET 98 -26.950 25.542 14.087 739 HB2 MET 98 1HB MET 98 -26.410 24.620 16.908 740 HB3 MET 98 2HB MET 98 -28.018 24.890 16.196 741 HG2 MET 98 1HG MET 98 -25.988 22.857 15.223 742 HG3 MET 98 2HG MET 98 -27.376 22.493 16.275 743 HE1 MET 98 3HE MET 98 -29.723 24.204 15.163 744 HE2 MET 98 1HE MET 98 -30.437 23.110 13.954 745 HE3 MET 98 2HE MET 98 -29.863 22.463 15.511 746 H VAL 99 H VAL 99 -28.264 27.218 14.480 747 HA VAL 99 HA VAL 99 -27.093 29.421 16.179 748 HB VAL 99 HB VAL 99 -28.716 29.645 13.608 749 HG11 VAL 99 1HG1 VAL 99 -28.249 32.063 13.828 750 HG12 VAL 99 2HG1 VAL 99 -29.169 31.457 15.226 751 HG13 VAL 99 3HG1 VAL 99 -27.421 31.762 15.374 752 HG21 VAL 99 3HG2 VAL 99 -26.457 28.896 13.153 753 HG22 VAL 99 1HG2 VAL 99 -26.681 30.582 12.630 754 HG23 VAL 99 2HG2 VAL 99 -25.797 30.228 14.134 755 H GLN 100 H GLN 100 -28.142 29.874 17.890 756 HA GLN 100 HA GLN 100 -31.028 29.193 18.058 757 HB2 GLN 100 1HB GLN 100 -29.669 28.534 19.918 758 HB3 GLN 100 2HB GLN 100 -28.994 30.174 20.060 759 HG2 GLN 100 1HG GLN 100 -30.822 30.108 21.874 760 HG3 GLN 100 2HG GLN 100 -31.195 30.938 20.345 761 HE21 GLN 100 2HE2 GLN 100 -33.395 30.731 20.380 762 HE22 GLN 100 1HE2 GLN 100 -34.221 29.209 20.313 763 H ALA 101 H ALA 101 -32.521 30.547 17.497 764 HA ALA 101 HA ALA 101 -32.071 33.382 17.204 765 HB1 ALA 101 3HB ALA 101 -34.664 31.817 17.455 766 HB2 ALA 101 1HB ALA 101 -34.516 33.507 16.917 767 HB3 ALA 101 2HB ALA 101 -33.811 32.197 15.940 768 H VAL 102 H VAL 102 -31.863 34.863 18.685 769 HA VAL 102 HA VAL 102 -33.368 34.554 21.276 770 HB VAL 102 HB VAL 102 -30.519 35.581 20.934 771 HG11 VAL 102 1HG1 VAL 102 -30.559 35.735 23.402 772 HG12 VAL 102 2HG1 VAL 102 -31.810 36.771 22.676 773 HG13 VAL 102 3HG1 VAL 102 -32.259 35.212 23.408 774 HG21 VAL 102 3HG2 VAL 102 -30.597 33.168 20.736 775 HG22 VAL 102 1HG2 VAL 102 -29.857 33.653 22.281 776 HG23 VAL 102 2HG2 VAL 102 -31.534 33.055 22.245 777 H ASN 103 H ASN 103 -34.803 36.021 21.489 778 HA ASN 103 HA ASN 103 -34.863 38.327 19.734 779 HB2 ASN 103 1HB ASN 103 -36.746 37.732 22.135 780 HB3 ASN 103 2HB ASN 103 -36.552 39.063 20.968 781 HD21 ASN 103 2HD2 ASN 103 -38.737 37.108 21.468 782 HD22 ASN 103 1HD2 ASN 103 -39.050 36.381 19.927 783 H GLN 104 H GLN 104 -33.505 37.733 22.855 784 HA GLN 104 HA GLN 104 -33.396 40.596 23.553 785 HB2 GLN 104 1HB GLN 104 -32.114 38.159 24.810 786 HB3 GLN 104 2HB GLN 104 -32.103 39.806 25.483 787 HG2 GLN 104 1HG GLN 104 -34.651 37.977 25.341 788 HG3 GLN 104 2HG GLN 104 -33.535 38.595 26.581 789 HE21 GLN 104 2HE2 GLN 104 -36.489 39.041 25.117 790 HE22 GLN 104 1HE2 GLN 104 -36.753 40.708 25.505 791 H ARG 105 H ARG 105 -31.565 38.406 21.700 792 HA ARG 105 HA ARG 105 -28.990 39.748 22.081 793 HB2 ARG 105 1HB ARG 105 -29.021 37.445 21.547 794 HB3 ARG 105 2HB ARG 105 -29.886 37.777 20.029 795 HG2 ARG 105 1HG ARG 105 -27.518 37.375 19.594 796 HG3 ARG 105 2HG ARG 105 -27.954 39.058 19.209 797 HD2 ARG 105 1HD ARG 105 -25.815 38.944 20.275 798 HD3 ARG 105 2HD ARG 105 -26.995 39.778 21.313 799 HE ARG 105 HE ARG 105 -26.723 37.002 22.189 800 HH11 ARG 105 1HH1 ARG 105 -24.974 40.018 22.209 801 HH12 ARG 105 2HH1 ARG 105 -24.163 39.546 23.688 802 HH21 ARG 105 1HH2 ARG 105 -25.796 36.443 23.879 803 HH22 ARG 105 2HH2 ARG 105 -24.630 37.506 24.642 804 H GLY 106 H GLY 106 -28.659 41.733 21.467 805 HA2 GLY 106 1HA GLY 106 -30.358 43.072 19.572 806 HA3 GLY 106 2HA GLY 106 -28.858 43.714 20.287 807 H ARG 107 H ARG 107 -27.551 41.108 19.243 808 HA ARG 107 HA ARG 107 -26.614 42.269 16.726 809 HB2 ARG 107 1HB ARG 107 -25.974 39.716 18.132 810 HB3 ARG 107 2HB ARG 107 -25.305 40.187 16.552 811 HG2 ARG 107 1HG ARG 107 -24.301 42.183 17.563 812 HG3 ARG 107 2HG ARG 107 -24.986 41.734 19.143 813 HD2 ARG 107 1HD ARG 107 -23.627 39.747 19.179 814 HD3 ARG 107 2HD ARG 107 -22.964 40.159 17.581 815 HE ARG 107 HE ARG 107 -22.221 42.325 19.284 816 HH11 ARG 107 1HH1 ARG 107 -21.713 38.876 19.311 817 HH12 ARG 107 2HH1 ARG 107 -20.175 39.103 20.120 818 HH21 ARG 107 1HH2 ARG 107 -20.466 42.600 20.217 819 HH22 ARG 107 2HH2 ARG 107 -19.463 41.226 20.638 820 H SER 108 H SER 108 -29.107 40.078 17.645 821 HA SER 108 HA SER 108 -29.354 38.408 15.327 822 HB2 SER 108 1HB SER 108 -31.476 39.429 17.116 823 HB3 SER 108 2HB SER 108 -31.580 38.096 15.942 824 HG SER 108 HG SER 108 -29.607 37.348 17.237 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 13.411 4.385 0.492 2 H2 GLY 1 2H GLY 1 12.817 3.157 -0.133 3 H3 GLY 1 3H GLY 1 12.063 4.453 -0.164 4 HA2 GLY 1 1HA GLY 1 11.824 2.461 1.845 5 HA3 GLY 1 2HA GLY 1 12.528 3.918 2.586 6 H GLY 2 H GLY 2 9.679 2.347 1.589 7 HA2 GLY 2 1HA GLY 2 7.462 2.935 1.975 8 HA3 GLY 2 2HA GLY 2 8.020 4.479 2.664 9 H SER 3 H SER 3 6.300 5.548 1.571 10 HA SER 3 HA SER 3 6.692 5.859 -1.425 11 HB2 SER 3 1HB SER 3 4.444 6.387 -1.619 12 HB3 SER 3 2HB SER 3 4.679 4.765 -0.927 13 HG SER 3 HG SER 3 3.045 5.960 0.145 14 H ASN 4 H ASN 4 7.163 7.311 1.580 15 HA ASN 4 HA ASN 4 7.418 9.510 2.294 16 HB2 ASN 4 1HB ASN 4 9.063 9.427 0.046 17 HB3 ASN 4 2HB ASN 4 7.567 10.273 -0.420 18 HD21 ASN 4 2HD2 ASN 4 9.132 11.987 -0.887 19 HD22 ASN 4 1HD2 ASN 4 9.566 13.072 0.393 20 H ALA 5 H ALA 5 4.804 8.779 2.044 21 HA ALA 5 HA ALA 5 3.578 11.401 1.590 22 HB1 ALA 5 3HB ALA 5 2.696 8.989 -0.028 23 HB2 ALA 5 1HB ALA 5 1.856 10.555 0.043 24 HB3 ALA 5 2HB ALA 5 3.482 10.449 -0.668 25 H THR 6 H THR 6 1.438 11.578 2.405 26 HA THR 6 HA THR 6 0.545 9.335 4.150 27 HB THR 6 HB THR 6 0.991 12.174 5.152 28 HG1 THR 6 HG1 THR 6 2.347 9.713 5.668 29 HG21 THR 6 1HG2 THR 6 0.311 11.234 7.332 30 HG22 THR 6 2HG2 THR 6 -0.992 11.069 6.130 31 HG23 THR 6 3HG2 THR 6 0.006 9.660 6.559 32 H ALA 7 H ALA 7 -1.518 8.988 4.034 33 HA ALA 7 HA ALA 7 -3.243 10.636 2.448 34 HB1 ALA 7 3HB ALA 7 -3.928 8.481 4.472 35 HB2 ALA 7 1HB ALA 7 -5.041 9.166 3.267 36 HB3 ALA 7 2HB ALA 7 -3.625 8.231 2.736 37 HA PRO 8 HA PRO 8 -4.543 13.843 5.125 38 HB2 PRO 8 1HB PRO 8 -7.315 13.241 4.009 39 HB3 PRO 8 2HB PRO 8 -6.460 14.790 4.064 40 HG2 PRO 8 1HG PRO 8 -6.649 13.484 1.748 41 HG3 PRO 8 2HG PRO 8 -5.126 14.277 2.174 42 HD2 PRO 8 1HD PRO 8 -5.831 11.318 2.293 43 HD3 PRO 8 2HD PRO 8 -4.311 12.079 1.806 44 H PHE 9 H PHE 9 -4.911 13.874 7.158 45 HA PHE 9 HA PHE 9 -7.062 12.165 8.293 46 HB2 PHE 9 1HB PHE 9 -5.067 10.752 8.510 47 HB3 PHE 9 2HB PHE 9 -4.167 12.096 9.246 48 HD1 PHE 9 HD1 PHE 9 -7.021 9.788 9.727 49 HD2 PHE 9 HD2 PHE 9 -4.284 12.531 11.528 50 HE1 PHE 9 HE1 PHE 9 -7.765 9.058 11.968 51 HE2 PHE 9 HE2 PHE 9 -5.024 11.801 13.770 52 HZ PHE 9 HZ PHE 9 -6.768 10.065 13.990 53 H PHE 10 H PHE 10 -8.317 13.349 9.467 54 HA PHE 10 HA PHE 10 -7.591 16.038 10.275 55 HB2 PHE 10 1HB PHE 10 -9.958 14.257 10.992 56 HB3 PHE 10 2HB PHE 10 -9.798 15.957 11.486 57 HD1 PHE 10 HD2 PHE 10 -9.487 17.682 9.610 58 HD2 PHE 10 HD1 PHE 10 -10.962 13.719 9.005 59 HE1 PHE 10 HE2 PHE 10 -10.538 18.400 7.491 60 HE2 PHE 10 HE1 PHE 10 -12.012 14.432 6.883 61 HZ PHE 10 HZ PHE 10 -11.800 16.772 6.126 62 H GLU 11 H GLU 11 -5.653 15.698 11.442 63 HA GLU 11 HA GLU 11 -5.594 14.276 13.946 64 HB2 GLU 11 1HB GLU 11 -3.572 15.416 14.368 65 HB3 GLU 11 2HB GLU 11 -3.614 15.015 12.635 66 HG2 GLU 11 1HG GLU 11 -4.257 17.430 12.143 67 HG3 GLU 11 2HG GLU 11 -4.218 17.653 13.907 68 H MET 12 H MET 12 -6.896 17.359 13.017 69 HA MET 12 HA MET 12 -8.047 17.486 15.767 70 HB2 MET 12 1HB MET 12 -6.210 19.104 15.652 71 HB3 MET 12 2HB MET 12 -6.958 19.836 14.211 72 HG2 MET 12 1HG MET 12 -8.919 20.466 15.547 73 HG3 MET 12 2HG MET 12 -8.178 19.729 16.988 74 HE1 MET 12 3HE MET 12 -8.432 22.803 14.676 75 HE2 MET 12 1HE MET 12 -6.900 23.669 14.941 76 HE3 MET 12 2HE MET 12 -6.906 22.120 14.063 77 H LYS 13 H LYS 13 -10.116 17.188 15.577 78 HA LYS 13 HA LYS 13 -11.400 17.831 12.967 79 HB2 LYS 13 1HB LYS 13 -12.288 16.151 15.315 80 HB3 LYS 13 2HB LYS 13 -13.240 16.431 13.838 81 HG2 LYS 13 1HG LYS 13 -11.492 15.331 12.500 82 HG3 LYS 13 2HG LYS 13 -10.536 15.052 13.976 83 HD2 LYS 13 1HD LYS 13 -12.336 13.661 14.896 84 HD3 LYS 13 2HD LYS 13 -13.322 13.963 13.445 85 HE2 LYS 13 1HE LYS 13 -11.605 12.881 12.054 86 HE3 LYS 13 2HE LYS 13 -10.626 12.572 13.507 87 HZ1 LYS 13 3HZ LYS 13 -13.319 11.486 12.993 88 HZ2 LYS 13 1HZ LYS 13 -11.907 10.643 12.870 89 HZ3 LYS 13 2HZ LYS 13 -12.412 11.199 14.340 90 H LEU 14 H LEU 14 -13.626 18.606 12.967 91 HA LEU 14 HA LEU 14 -13.887 20.942 14.724 92 HB2 LEU 14 1HB LEU 14 -15.556 19.696 12.644 93 HB3 LEU 14 2HB LEU 14 -16.066 21.239 13.369 94 HG LEU 14 HG LEU 14 -13.512 20.779 11.779 95 HD11 LEU 14 1HD1 LEU 14 -14.619 22.213 10.042 96 HD12 LEU 14 2HD1 LEU 14 -15.553 20.730 10.348 97 HD13 LEU 14 3HD1 LEU 14 -16.083 22.276 11.050 98 HD21 LEU 14 3HD2 LEU 14 -13.245 22.479 13.487 99 HD22 LEU 14 1HD2 LEU 14 -13.274 23.237 11.878 100 HD23 LEU 14 2HD2 LEU 14 -14.711 23.316 12.926 101 H LYS 15 H LYS 15 -15.742 21.441 15.977 102 HA LYS 15 HA LYS 15 -16.982 18.986 17.180 103 HB2 LYS 15 1HB LYS 15 -16.422 21.683 18.424 104 HB3 LYS 15 2HB LYS 15 -17.240 20.315 19.214 105 HG2 LYS 15 1HG LYS 15 -15.180 18.973 19.014 106 HG3 LYS 15 2HG LYS 15 -14.363 20.352 18.240 107 HD2 LYS 15 1HD LYS 15 -14.683 21.699 20.264 108 HD3 LYS 15 2HD LYS 15 -15.541 20.346 21.040 109 HE2 LYS 15 1HE LYS 15 -13.516 18.964 20.873 110 HE3 LYS 15 2HE LYS 15 -12.658 20.314 20.096 111 HZ1 LYS 15 3HZ LYS 15 -13.766 20.334 22.830 112 HZ2 LYS 15 1HZ LYS 15 -12.169 20.182 22.444 113 HZ3 LYS 15 2HZ LYS 15 -12.969 21.587 22.110 114 H HIS 16 H HIS 16 -19.073 19.536 18.361 115 HA HIS 16 HA HIS 16 -20.910 20.827 16.477 116 HB2 HIS 16 1HB HIS 16 -21.548 18.803 17.837 117 HB3 HIS 16 2HB HIS 16 -21.460 19.813 19.300 118 HD1 HIS 16 HD1 HIS 16 -24.053 18.739 19.191 119 HD2 HIS 16 HD2 HIS 16 -23.182 22.076 16.770 120 HE1 HIS 16 HE1 HIS 16 -26.211 19.702 18.568 121 H TYR 17 H TYR 17 -20.955 22.924 16.263 122 HA TYR 17 HA TYR 17 -20.288 24.611 18.634 123 HB2 TYR 17 1HB TYR 17 -20.505 25.328 15.708 124 HB3 TYR 17 2HB TYR 17 -19.951 26.388 17.026 125 HD1 TYR 17 HD2 TYR 17 -17.869 25.563 18.359 126 HD2 TYR 17 HD1 TYR 17 -18.930 24.083 14.504 127 HE1 TYR 17 HE2 TYR 17 -15.550 24.769 18.038 128 HE2 TYR 17 HE1 TYR 17 -16.611 23.281 14.165 129 HH TYR 17 HH TYR 17 -14.085 23.721 16.645 130 H LYS 18 H LYS 18 -21.559 26.161 19.448 131 HA LYS 18 HA LYS 18 -24.226 26.589 18.174 132 HB2 LYS 18 1HB LYS 18 -23.711 25.928 21.076 133 HB3 LYS 18 2HB LYS 18 -25.253 26.527 20.418 134 HG2 LYS 18 1HG LYS 18 -25.427 24.511 19.006 135 HG3 LYS 18 2HG LYS 18 -23.896 23.909 19.685 136 HD2 LYS 18 1HD LYS 18 -24.909 23.894 21.936 137 HD3 LYS 18 2HD LYS 18 -26.442 24.471 21.243 138 HE2 LYS 18 1HE LYS 18 -26.579 22.444 19.857 139 HE3 LYS 18 2HE LYS 18 -25.048 21.865 20.554 140 HZ1 LYS 18 3HZ LYS 18 -27.540 22.354 22.056 141 HZ2 LYS 18 1HZ LYS 18 -26.949 20.873 21.634 142 HZ3 LYS 18 2HZ LYS 18 -26.120 21.817 22.703 143 H ILE 19 H ILE 19 -24.488 28.622 17.766 144 HA ILE 19 HA ILE 19 -23.718 30.618 19.856 145 HB ILE 19 HB ILE 19 -22.959 32.159 18.005 146 HG12 ILE 19 1HG1 ILE 19 -22.104 30.719 15.970 147 HG13 ILE 19 2HG1 ILE 19 -23.498 29.712 16.426 148 HG21 ILE 19 1HG2 ILE 19 -20.721 31.143 17.741 149 HG22 ILE 19 2HG2 ILE 19 -21.311 30.966 19.409 150 HG23 ILE 19 3HG2 ILE 19 -21.364 29.580 18.295 151 HD11 ILE 19 3HD1 ILE 19 -23.586 32.675 15.754 152 HD12 ILE 19 1HD1 ILE 19 -24.112 31.350 14.690 153 HD13 ILE 19 2HD1 ILE 19 -24.981 31.668 16.211 154 H PHE 20 H PHE 20 -24.501 32.872 19.038 155 HA PHE 20 HA PHE 20 -27.421 32.435 18.548 156 HB2 PHE 20 1HB PHE 20 -25.891 34.688 19.910 157 HB3 PHE 20 2HB PHE 20 -27.631 34.744 19.550 158 HD1 PHE 20 HD2 PHE 20 -29.189 33.286 20.711 159 HD2 PHE 20 HD1 PHE 20 -25.030 33.372 21.686 160 HE1 PHE 20 HE2 PHE 20 -29.671 32.160 22.859 161 HE2 PHE 20 HE1 PHE 20 -25.507 32.243 23.832 162 HZ PHE 20 HZ PHE 20 -27.829 31.638 24.419 163 H GLU 21 H GLU 21 -28.586 33.638 17.117 164 HA GLU 21 HA GLU 21 -27.336 34.084 14.612 165 HB2 GLU 21 1HB GLU 21 -29.379 34.942 13.870 166 HB3 GLU 21 2HB GLU 21 -29.776 33.703 15.086 167 HG2 GLU 21 1HG GLU 21 -30.339 35.467 16.746 168 HG3 GLU 21 2HG GLU 21 -29.623 36.638 15.615 169 H GLY 22 H GLY 22 -26.048 35.556 13.867 170 HA2 GLY 22 1HA GLY 22 -25.729 37.850 13.212 171 HA3 GLY 22 2HA GLY 22 -26.502 38.373 14.726 172 H MET 23 H MET 23 -24.743 36.013 15.895 173 HA MET 23 HA MET 23 -22.546 37.835 16.683 174 HB2 MET 23 1HB MET 23 -23.253 35.045 17.587 175 HB3 MET 23 2HB MET 23 -22.010 36.103 18.300 176 HG2 MET 23 1HG MET 23 -24.993 36.655 18.243 177 HG3 MET 23 2HG MET 23 -24.082 36.047 19.645 178 HE1 MET 23 3HE MET 23 -21.436 37.615 19.741 179 HE2 MET 23 1HE MET 23 -21.880 39.057 20.686 180 HE3 MET 23 2HE MET 23 -22.526 37.462 21.141 181 HA PRO 24 HA PRO 24 -19.476 35.858 14.175 182 HB2 PRO 24 1HB PRO 24 -17.233 36.568 15.587 183 HB3 PRO 24 2HB PRO 24 -18.138 37.796 14.692 184 HG2 PRO 24 1HG PRO 24 -18.234 37.138 17.657 185 HG3 PRO 24 2HG PRO 24 -18.149 38.722 16.872 186 HD2 PRO 24 1HD PRO 24 -20.531 37.674 17.777 187 HD3 PRO 24 2HD PRO 24 -20.462 38.749 16.375 188 H VAL 25 H VAL 25 -18.160 34.102 14.118 189 HA VAL 25 HA VAL 25 -17.634 32.569 16.598 190 HB VAL 25 HB VAL 25 -19.916 31.790 15.985 191 HG11 VAL 25 1HG1 VAL 25 -20.247 30.594 13.846 192 HG12 VAL 25 2HG1 VAL 25 -19.822 32.298 13.567 193 HG13 VAL 25 3HG1 VAL 25 -18.595 31.027 13.348 194 HG21 VAL 25 3HG2 VAL 25 -18.358 30.242 17.009 195 HG22 VAL 25 1HG2 VAL 25 -19.402 29.405 15.837 196 HG23 VAL 25 2HG2 VAL 25 -17.719 29.797 15.410 197 H THR 26 H THR 26 -15.786 31.636 16.567 198 HA THR 26 HA THR 26 -14.466 31.276 13.896 199 HB THR 26 HB THR 26 -13.181 31.718 16.625 200 HG1 THR 26 HG1 THR 26 -13.625 33.417 14.380 201 HG21 THR 26 1HG2 THR 26 -11.087 31.901 15.328 202 HG22 THR 26 2HG2 THR 26 -11.835 30.299 15.115 203 HG23 THR 26 3HG2 THR 26 -11.979 31.525 13.835 204 H PHE 27 H PHE 27 -13.928 29.358 13.239 205 HA PHE 27 HA PHE 27 -13.275 27.247 15.213 206 HB2 PHE 27 1HB PHE 27 -14.810 25.623 14.041 207 HB3 PHE 27 2HB PHE 27 -15.675 26.889 14.943 208 HD1 PHE 27 HD2 PHE 27 -16.827 28.682 13.772 209 HD2 PHE 27 HD1 PHE 27 -14.947 25.466 11.681 210 HE1 PHE 27 HE2 PHE 27 -18.116 29.252 11.741 211 HE2 PHE 27 HE1 PHE 27 -16.232 26.035 9.647 212 HZ PHE 27 HZ PHE 27 -17.817 27.928 9.677 213 H THR 28 H THR 28 -12.204 25.421 14.312 214 HA THR 28 HA THR 28 -10.928 25.871 11.688 215 HB THR 28 HB THR 28 -9.717 27.464 13.187 216 HG1 THR 28 HG1 THR 28 -7.628 26.557 12.713 217 HG21 THR 28 1HG2 THR 28 -8.319 26.554 15.007 218 HG22 THR 28 2HG2 THR 28 -10.047 26.252 15.315 219 HG23 THR 28 3HG2 THR 28 -9.005 24.936 14.726 220 H CYS 29 H CYS 29 -9.466 24.235 11.063 221 HA CYS 29 HA CYS 29 -9.559 21.690 12.685 222 HB2 CYS 29 1HB CYS 29 -11.561 21.971 11.160 223 HB3 CYS 29 2HB CYS 29 -10.432 22.037 9.785 224 HG CYS 29 HG CYS 29 -9.417 19.724 10.147 225 H ARG 30 H ARG 30 -7.894 20.278 12.212 226 HA ARG 30 HA ARG 30 -5.776 21.323 10.363 227 HB2 ARG 30 1HB ARG 30 -5.215 21.997 12.582 228 HB3 ARG 30 2HB ARG 30 -5.349 20.314 13.142 229 HG2 ARG 30 1HG ARG 30 -3.467 19.657 11.764 230 HG3 ARG 30 2HG ARG 30 -3.378 21.287 11.053 231 HD2 ARG 30 1HD ARG 30 -2.760 22.200 13.191 232 HD3 ARG 30 2HD ARG 30 -2.891 20.588 13.932 233 HE ARG 30 HE ARG 30 -0.858 20.379 11.916 234 HH11 ARG 30 1HH1 ARG 30 -1.346 22.238 14.826 235 HH12 ARG 30 2HH1 ARG 30 0.385 22.283 15.094 236 HH21 ARG 30 1HH2 ARG 30 1.128 20.429 12.206 237 HH22 ARG 30 2HH2 ARG 30 1.797 21.252 13.601 238 H VAL 31 H VAL 31 -4.628 19.895 9.218 239 HA VAL 31 HA VAL 31 -5.477 17.012 9.453 240 HB VAL 31 HB VAL 31 -5.122 18.624 6.887 241 HG11 VAL 31 1HG1 VAL 31 -5.975 16.572 5.802 242 HG12 VAL 31 2HG1 VAL 31 -4.471 16.247 6.696 243 HG13 VAL 31 3HG1 VAL 31 -6.039 15.762 7.385 244 HG21 VAL 31 3HG2 VAL 31 -7.158 19.285 8.022 245 HG22 VAL 31 1HG2 VAL 31 -7.528 18.329 6.569 246 HG23 VAL 31 2HG2 VAL 31 -7.647 17.581 8.180 247 H ALA 32 H ALA 32 -3.955 15.640 9.669 248 HA ALA 32 HA ALA 32 -1.176 16.476 9.123 249 HB1 ALA 32 3HB ALA 32 -2.302 13.906 10.289 250 HB2 ALA 32 1HB ALA 32 -0.578 14.332 10.178 251 HB3 ALA 32 2HB ALA 32 -1.667 15.287 11.212 252 H GLY 33 H GLY 33 -1.890 16.656 6.773 253 HA2 GLY 33 1HA GLY 33 -1.762 13.984 5.441 254 HA3 GLY 33 2HA GLY 33 -2.456 15.461 4.730 255 H ASN 34 H ASN 34 -0.567 13.883 3.386 256 HA ASN 34 HA ASN 34 1.476 15.942 2.901 257 HB2 ASN 34 3HB ASN 34 2.411 14.436 4.803 258 HB3 ASN 34 2HB ASN 34 2.336 13.067 3.720 259 HD21 ASN 34 2HD2 ASN 34 4.654 13.902 4.999 260 HD22 ASN 34 1HD2 ASN 34 5.789 14.413 3.639 261 HA PRO 35 HA PRO 35 2.221 16.835 1.548 262 HB2 PRO 35 1HB PRO 35 0.705 17.826 -0.857 263 HB3 PRO 35 2HB PRO 35 2.427 18.016 -0.486 264 HG2 PRO 35 1HG PRO 35 1.636 16.340 -2.434 265 HG3 PRO 35 2HG PRO 35 2.995 15.913 -1.385 266 HD2 PRO 35 1HD PRO 35 0.091 14.966 -1.209 267 HD3 PRO 35 2HD PRO 35 1.573 14.006 -1.092 268 H LYS 36 H LYS 36 1.313 18.845 2.173 269 HA LYS 36 HA LYS 36 -1.026 18.543 3.741 270 HB2 LYS 36 1HB LYS 36 0.101 21.091 2.581 271 HB3 LYS 36 2HB LYS 36 -1.010 20.952 3.964 272 HG2 LYS 36 1HG LYS 36 1.752 19.706 3.940 273 HG3 LYS 36 2HG LYS 36 1.450 21.364 4.513 274 HD2 LYS 36 1HD LYS 36 -0.043 20.566 6.233 275 HD3 LYS 36 2HD LYS 36 0.029 18.909 5.590 276 HE2 LYS 36 1HE LYS 36 2.287 18.638 6.250 277 HE3 LYS 36 2HE LYS 36 2.489 20.380 6.547 278 HZ1 LYS 36 3HZ LYS 36 0.782 18.559 8.119 279 HZ2 LYS 36 1HZ LYS 36 2.246 19.151 8.595 280 HZ3 LYS 36 2HZ LYS 36 0.968 20.175 8.395 281 HA PRO 37 HA PRO 37 -4.089 18.473 0.541 282 HB2 PRO 37 1HB PRO 37 -5.865 18.702 2.998 283 HB3 PRO 37 2HB PRO 37 -5.953 17.526 1.681 284 HG2 PRO 37 1HG PRO 37 -4.994 16.769 4.052 285 HG3 PRO 37 2HG PRO 37 -4.211 16.194 2.574 286 HD2 PRO 37 1HD PRO 37 -3.292 18.370 4.490 287 HD3 PRO 37 2HD PRO 37 -2.323 17.188 3.604 288 H LYS 38 H LYS 38 -5.370 19.882 -0.465 289 HA LYS 38 HA LYS 38 -5.103 22.690 0.362 290 HB2 LYS 38 1HB LYS 38 -6.543 21.363 -1.937 291 HB3 LYS 38 2HB LYS 38 -6.424 23.120 -1.685 292 HG2 LYS 38 1HG LYS 38 -3.952 22.946 -1.854 293 HG3 LYS 38 2HG LYS 38 -4.121 21.209 -2.197 294 HD2 LYS 38 1HD LYS 38 -5.450 21.732 -4.203 295 HD3 LYS 38 2HD LYS 38 -5.278 23.471 -3.862 296 HE2 LYS 38 1HE LYS 38 -2.845 23.287 -4.092 297 HE3 LYS 38 2HE LYS 38 -2.999 21.542 -4.403 298 HZ1 LYS 38 3HZ LYS 38 -4.108 23.689 -6.095 299 HZ2 LYS 38 1HZ LYS 38 -2.767 22.791 -6.440 300 HZ3 LYS 38 2HZ LYS 38 -4.250 22.070 -6.384 301 H ILE 39 H ILE 39 -6.213 22.330 2.439 302 HA ILE 39 HA ILE 39 -8.756 21.252 2.798 303 HB ILE 39 HB ILE 39 -7.511 23.694 4.142 304 HG12 ILE 39 1HG1 ILE 39 -7.803 20.866 5.116 305 HG13 ILE 39 2HG1 ILE 39 -6.345 21.532 4.344 306 HG21 ILE 39 1HG2 ILE 39 -9.194 23.361 5.921 307 HG22 ILE 39 2HG2 ILE 39 -9.971 23.747 4.368 308 HG23 ILE 39 3HG2 ILE 39 -9.953 22.070 4.961 309 HD11 ILE 39 3HD1 ILE 39 -7.595 22.517 6.932 310 HD12 ILE 39 1HD1 ILE 39 -6.127 21.522 6.798 311 HD13 ILE 39 2HD1 ILE 39 -6.137 23.183 6.161 312 H TYR 40 H TYR 40 -10.575 21.480 1.867 313 HA TYR 40 HA TYR 40 -11.376 24.229 0.971 314 HB2 TYR 40 1HB TYR 40 -12.378 21.491 0.158 315 HB3 TYR 40 2HB TYR 40 -13.046 23.043 -0.403 316 HD1 TYR 40 HD2 TYR 40 -11.305 24.664 -1.531 317 HD2 TYR 40 HD1 TYR 40 -10.731 20.458 -1.133 318 HE1 TYR 40 HE2 TYR 40 -9.651 24.727 -3.366 319 HE2 TYR 40 HE1 TYR 40 -9.071 20.502 -2.970 320 HH TYR 40 HH TYR 40 -8.212 23.524 -4.659 321 H TRP 41 H TRP 41 -13.361 25.070 1.447 322 HA TRP 41 HA TRP 41 -14.891 23.626 3.586 323 HB2 TRP 41 1HB TRP 41 -14.279 26.599 3.340 324 HB3 TRP 41 2HB TRP 41 -15.482 25.915 4.458 325 HD1 TRP 41 HD1 TRP 41 -11.822 26.050 3.792 326 HE1 TRP 41 HE1 TRP 41 -10.482 25.480 6.068 327 HE3 TRP 41 HE3 TRP 41 -15.797 24.723 6.670 328 HZ2 TRP 41 HZ2 TRP 41 -11.181 24.617 8.599 329 HZ3 TRP 41 HZ3 TRP 41 -15.460 24.041 8.964 330 HH2 TRP 41 HH2 TRP 41 -13.220 23.970 9.971 331 H PHE 42 H PHE 42 -17.012 23.432 3.388 332 HA PHE 42 HA PHE 42 -18.507 25.324 1.694 333 HB2 PHE 42 1HB PHE 42 -19.617 23.484 0.409 334 HB3 PHE 42 2HB PHE 42 -17.889 23.637 0.023 335 HD1 PHE 42 HD2 PHE 42 -16.283 21.989 0.853 336 HD2 PHE 42 HD1 PHE 42 -20.494 21.535 1.407 337 HE1 PHE 42 HE2 PHE 42 -15.958 19.588 1.341 338 HE2 PHE 42 HE1 PHE 42 -20.173 19.134 1.898 339 HZ PHE 42 HZ PHE 42 -17.904 18.160 1.865 340 H LYS 43 H LYS 43 -20.678 25.437 2.116 341 HA LYS 43 HA LYS 43 -21.403 24.143 4.725 342 HB2 LYS 43 1HB LYS 43 -21.076 26.629 4.676 343 HB3 LYS 43 2HB LYS 43 -22.453 26.717 3.552 344 HG2 LYS 43 1HG LYS 43 -22.883 25.267 6.123 345 HG3 LYS 43 2HG LYS 43 -22.710 27.036 6.212 346 HD2 LYS 43 1HD LYS 43 -24.458 27.159 4.358 347 HD3 LYS 43 2HD LYS 43 -24.750 25.428 4.654 348 HE2 LYS 43 1HE LYS 43 -25.039 26.128 7.132 349 HE3 LYS 43 2HE LYS 43 -25.221 27.777 6.488 350 HZ1 LYS 43 3HZ LYS 43 -26.879 25.452 5.746 351 HZ2 LYS 43 1HZ LYS 43 -27.342 26.681 6.743 352 HZ3 LYS 43 2HZ LYS 43 -27.050 26.980 5.148 353 H ASP 44 H ASP 44 -22.718 22.519 4.496 354 HA ASP 44 HA ASP 44 -24.397 21.162 3.632 355 HB2 ASP 44 1HB ASP 44 -25.776 23.884 3.220 356 HB3 ASP 44 2HB ASP 44 -26.408 22.234 2.993 357 H GLY 45 H GLY 45 -22.258 21.972 1.845 358 HA2 GLY 45 1HA GLY 45 -21.942 20.996 -0.312 359 HA3 GLY 45 2HA GLY 45 -23.680 21.192 -0.645 360 H LYS 46 H LYS 46 -22.726 23.996 0.794 361 HA LYS 46 HA LYS 46 -22.528 25.362 -1.846 362 HB2 LYS 46 1HB LYS 46 -22.985 26.434 0.941 363 HB3 LYS 46 2HB LYS 46 -22.964 27.397 -0.555 364 HG2 LYS 46 1HG LYS 46 -24.938 26.217 -1.377 365 HG3 LYS 46 2HG LYS 46 -24.940 25.178 0.068 366 HD2 LYS 46 1HD LYS 46 -25.326 27.131 1.496 367 HD3 LYS 46 2HD LYS 46 -25.275 28.196 0.071 368 HE2 LYS 46 1HE LYS 46 -27.217 26.941 -0.869 369 HE3 LYS 46 2HE LYS 46 -27.305 26.019 0.650 370 HZ1 LYS 46 3HZ LYS 46 -27.612 28.942 0.398 371 HZ2 LYS 46 1HZ LYS 46 -28.839 27.866 0.639 372 HZ3 LYS 46 2HZ LYS 46 -27.695 28.088 1.806 373 H GLN 47 H GLN 47 -20.514 25.296 -2.571 374 HA GLN 47 HA GLN 47 -18.149 25.302 -1.030 375 HB2 GLN 47 1HB GLN 47 -18.324 24.819 -3.456 376 HB3 GLN 47 2HB GLN 47 -18.580 26.556 -3.748 377 HG2 GLN 47 1HG GLN 47 -16.082 26.904 -2.743 378 HG3 GLN 47 2HG GLN 47 -16.337 25.150 -2.591 379 HE21 GLN 47 2HE2 GLN 47 -14.130 26.076 -3.908 380 HE22 GLN 47 1HE2 GLN 47 -14.282 25.788 -5.609 381 H ILE 48 H ILE 48 -17.034 26.694 0.087 382 HA ILE 48 HA ILE 48 -17.949 29.556 0.050 383 HB ILE 48 HB ILE 48 -16.488 27.954 2.202 384 HG12 ILE 48 1HG1 ILE 48 -19.257 29.124 2.222 385 HG13 ILE 48 2HG1 ILE 48 -18.869 27.420 1.892 386 HG21 ILE 48 1HG2 ILE 48 -16.751 29.989 3.582 387 HG22 ILE 48 2HG2 ILE 48 -15.770 30.318 2.135 388 HG23 ILE 48 3HG2 ILE 48 -17.471 30.837 2.193 389 HD11 ILE 48 3HD1 ILE 48 -18.270 28.913 4.470 390 HD12 ILE 48 1HD1 ILE 48 -19.580 27.733 4.230 391 HD13 ILE 48 2HD1 ILE 48 -17.882 27.208 4.140 392 H SER 49 H SER 49 -16.787 31.013 -0.831 393 HA SER 49 HA SER 49 -13.921 30.563 -1.495 394 HB2 SER 49 1HB SER 49 -15.234 31.551 -3.107 395 HB3 SER 49 2HB SER 49 -15.762 32.825 -1.984 396 HG SER 49 HG SER 49 -13.549 33.444 -1.829 397 HA PRO 50 HA PRO 50 -12.396 32.342 2.321 398 HB2 PRO 50 1HB PRO 50 -10.094 33.075 0.469 399 HB3 PRO 50 2HB PRO 50 -10.033 32.231 2.022 400 HG2 PRO 50 1HG PRO 50 -9.695 30.847 -0.233 401 HG3 PRO 50 2HG PRO 50 -10.664 30.154 1.074 402 HD2 PRO 50 1HD PRO 50 -11.612 31.463 -1.507 403 HD3 PRO 50 2HD PRO 50 -12.254 30.035 -0.687 404 H LYS 51 H LYS 51 -12.400 34.246 3.244 405 HA LYS 51 HA LYS 51 -12.828 36.519 3.475 406 HB2 LYS 51 1HB LYS 51 -11.411 36.636 0.805 407 HB3 LYS 51 2HB LYS 51 -11.764 38.025 1.862 408 HG2 LYS 51 1HG LYS 51 -10.316 37.057 3.607 409 HG3 LYS 51 2HG LYS 51 -9.953 35.681 2.538 410 HD2 LYS 51 1HD LYS 51 -8.959 37.217 0.893 411 HD3 LYS 51 2HD LYS 51 -9.329 38.597 1.953 412 HE2 LYS 51 1HE LYS 51 -7.864 37.702 3.681 413 HE3 LYS 51 2HE LYS 51 -7.543 36.259 2.692 414 HZ1 LYS 51 3HZ LYS 51 -6.813 39.025 1.974 415 HZ2 LYS 51 1HZ LYS 51 -5.770 37.869 2.516 416 HZ3 LYS 51 2HZ LYS 51 -6.515 37.687 1.056 417 H SER 52 H SER 52 -15.033 35.309 2.870 418 HA SER 52 HA SER 52 -16.333 36.595 0.495 419 HB2 SER 52 1HB SER 52 -16.617 34.246 0.989 420 HB3 SER 52 2HB SER 52 -17.517 34.723 2.446 421 HG SER 52 HG SER 52 -18.911 34.419 0.691 422 H ASP 53 H ASP 53 -18.884 36.782 1.519 423 HA ASP 53 HA ASP 53 -18.946 39.423 2.552 424 HB2 ASP 53 1HB ASP 53 -21.105 37.226 2.653 425 HB3 ASP 53 2HB ASP 53 -21.195 38.920 3.192 426 H HIS 54 H HIS 54 -19.284 36.322 4.274 427 HA HIS 54 HA HIS 54 -18.420 37.751 6.748 428 HB2 HIS 54 1HB HIS 54 -20.791 35.840 6.559 429 HB3 HIS 54 2HB HIS 54 -20.090 36.464 8.071 430 HD2 HIS 54 HD2 HIS 54 -22.851 37.464 5.523 431 HE1 HIS 54 HE1 HIS 54 -21.916 40.853 7.909 432 HE2 HIS 54 HE2 HIS 54 -23.563 39.774 6.167 433 H TYR 55 H TYR 55 -17.914 35.327 4.564 434 HA TYR 55 HA TYR 55 -16.949 33.374 6.613 435 HB2 TYR 55 1HB TYR 55 -17.469 33.102 3.646 436 HB3 TYR 55 2HB TYR 55 -16.815 31.819 4.697 437 HD1 TYR 55 HD1 TYR 55 -18.753 32.928 7.036 438 HD2 TYR 55 HD2 TYR 55 -19.320 31.493 3.060 439 HE1 TYR 55 HE1 TYR 55 -21.055 32.229 7.624 440 HE2 TYR 55 HE2 TYR 55 -21.619 30.792 3.629 441 HH TYR 55 HH TYR 55 -23.367 31.817 6.036 442 H THR 56 H THR 56 -15.042 34.267 7.247 443 HA THR 56 HA THR 56 -12.984 34.736 5.144 444 HB THR 56 HB THR 56 -12.908 35.210 8.155 445 HG1 THR 56 HG1 THR 56 -13.004 37.428 7.458 446 HG21 THR 56 1HG2 THR 56 -10.827 36.445 7.669 447 HG22 THR 56 2HG2 THR 56 -10.679 34.734 7.202 448 HG23 THR 56 3HG2 THR 56 -10.947 35.977 5.956 449 H ILE 57 H ILE 57 -11.820 33.137 4.470 450 HA ILE 57 HA ILE 57 -11.185 30.912 6.392 451 HB ILE 57 HB ILE 57 -11.189 30.959 3.339 452 HG12 ILE 57 1HG1 ILE 57 -12.974 29.459 5.235 453 HG13 ILE 57 2HG1 ILE 57 -13.403 30.977 4.413 454 HG21 ILE 57 1HG2 ILE 57 -10.718 28.540 3.527 455 HG22 ILE 57 2HG2 ILE 57 -9.419 29.504 4.266 456 HG23 ILE 57 3HG2 ILE 57 -10.622 28.696 5.297 457 HD11 ILE 57 3HD1 ILE 57 -12.717 28.349 3.050 458 HD12 ILE 57 1HD1 ILE 57 -14.349 29.031 3.236 459 HD13 ILE 57 2HD1 ILE 57 -13.144 29.867 2.228 460 H GLN 58 H GLN 58 -9.357 31.054 7.341 461 HA GLN 58 HA GLN 58 -7.020 32.009 5.730 462 HB2 GLN 58 1HB GLN 58 -7.437 31.753 8.713 463 HB3 GLN 58 2HB GLN 58 -5.897 32.190 7.937 464 HG2 GLN 58 1HG GLN 58 -8.440 34.041 7.888 465 HG3 GLN 58 2HG GLN 58 -6.924 33.953 8.814 466 HE21 GLN 58 2HE2 GLN 58 -8.441 35.409 6.251 467 HE22 GLN 58 1HE2 GLN 58 -7.056 35.895 5.330 468 H ARG 59 H ARG 59 -5.982 30.455 4.768 469 HA ARG 59 HA ARG 59 -5.888 27.771 6.081 470 HB2 ARG 59 1HB ARG 59 -6.810 27.961 3.815 471 HB3 ARG 59 2HB ARG 59 -5.196 28.464 3.261 472 HG2 ARG 59 1HG ARG 59 -4.291 26.303 4.137 473 HG3 ARG 59 2HG ARG 59 -5.961 25.804 4.498 474 HD2 ARG 59 1HD ARG 59 -4.849 26.461 1.789 475 HD3 ARG 59 2HD ARG 59 -5.143 24.834 2.448 476 HE ARG 59 HE ARG 59 -7.614 25.302 2.140 477 HH11 ARG 59 1HH1 ARG 59 -5.548 27.831 0.917 478 HH12 ARG 59 2HH1 ARG 59 -6.857 28.422 -0.089 479 HH21 ARG 59 1HH2 ARG 59 -9.125 25.972 1.000 480 HH22 ARG 59 2HH2 ARG 59 -8.897 27.364 -0.042 481 H ASP 60 H ASP 60 -4.282 27.826 7.520 482 HA ASP 60 HA ASP 60 -1.655 28.925 6.901 483 HB2 ASP 60 1HB ASP 60 -2.667 28.582 9.300 484 HB3 ASP 60 2HB ASP 60 -2.383 26.874 8.884 485 H LEU 61 H LEU 61 0.120 28.026 6.135 486 HA LEU 61 HA LEU 61 -0.195 25.618 4.548 487 HB2 LEU 61 1HB LEU 61 2.103 27.267 5.374 488 HB3 LEU 61 2HB LEU 61 2.340 25.984 4.163 489 HG LEU 61 HG LEU 61 0.603 28.467 3.870 490 HD11 LEU 61 1HD1 LEU 61 2.240 29.065 2.065 491 HD12 LEU 61 2HD1 LEU 61 3.047 28.902 3.643 492 HD13 LEU 61 3HD1 LEU 61 3.168 27.594 2.441 493 HD21 LEU 61 3HD2 LEU 61 -0.418 26.560 2.772 494 HD22 LEU 61 1HD2 LEU 61 0.218 27.693 1.556 495 HD23 LEU 61 2HD2 LEU 61 1.105 26.194 1.928 496 H ASP 62 H ASP 62 0.475 26.109 7.819 497 HA ASP 62 HA ASP 62 2.161 23.808 8.297 498 HB2 ASP 62 1HB ASP 62 0.210 25.298 10.154 499 HB3 ASP 62 2HB ASP 62 1.240 23.887 10.502 500 H GLY 63 H GLY 63 -1.136 24.139 7.423 501 HA2 GLY 63 1HA GLY 63 -2.124 22.080 6.497 502 HA3 GLY 63 2HA GLY 63 -1.453 21.202 7.889 503 H THR 64 H THR 64 -2.620 24.305 8.672 504 HA THR 64 HA THR 64 -5.265 23.181 9.530 505 HB THR 64 HB THR 64 -3.772 23.382 11.499 506 HG1 THR 64 HG1 THR 64 -5.207 24.785 12.677 507 HG21 THR 64 1HG2 THR 64 -3.006 25.617 12.218 508 HG22 THR 64 2HG2 THR 64 -2.304 25.176 10.643 509 HG23 THR 64 3HG2 THR 64 -3.662 26.323 10.723 510 H CYS 65 H CYS 65 -7.028 24.429 9.370 511 HA CYS 65 HA CYS 65 -6.697 27.175 8.132 512 HB2 CYS 65 1HB CYS 65 -6.929 25.265 6.487 513 HB3 CYS 65 2HB CYS 65 -8.509 24.905 7.223 514 HG CYS 65 HG CYS 65 -8.784 25.986 4.929 515 H SER 66 H SER 66 -8.146 28.636 8.848 516 HA SER 66 HA SER 66 -10.295 27.705 10.778 517 HB2 SER 66 1HB SER 66 -8.572 28.753 11.917 518 HB3 SER 66 2HB SER 66 -8.666 30.166 10.841 519 HG SER 66 HG SER 66 -9.841 30.449 12.787 520 H LEU 67 H LEU 67 -12.303 28.072 10.098 521 HA LEU 67 HA LEU 67 -12.779 30.172 8.028 522 HB2 LEU 67 1HB LEU 67 -13.464 27.877 7.749 523 HB3 LEU 67 2HB LEU 67 -14.699 27.995 9.024 524 HG LEU 67 HG LEU 67 -14.576 29.587 6.433 525 HD11 LEU 67 1HD1 LEU 67 -16.738 28.414 5.942 526 HD12 LEU 67 2HD1 LEU 67 -15.411 27.252 6.178 527 HD13 LEU 67 3HD1 LEU 67 -16.592 27.533 7.481 528 HD21 LEU 67 3HD2 LEU 67 -15.366 30.989 8.248 529 HD22 LEU 67 1HD2 LEU 67 -16.714 30.594 7.155 530 HD23 LEU 67 2HD2 LEU 67 -16.560 29.757 8.718 531 H HIS 68 H HIS 68 -12.494 31.924 9.454 532 HA HIS 68 HA HIS 68 -14.248 32.235 11.762 533 HB2 HIS 68 1HB HIS 68 -12.119 33.412 11.768 534 HB3 HIS 68 2HB HIS 68 -12.506 34.214 10.227 535 HD2 HIS 68 HD2 HIS 68 -13.403 36.830 10.658 536 HE1 HIS 68 HE1 HIS 68 -14.923 36.128 14.562 537 HE2 HIS 68 HE2 HIS 68 -14.498 37.879 12.647 538 H THR 69 H THR 69 -16.300 32.625 11.757 539 HA THR 69 HA THR 69 -17.500 34.019 9.399 540 HB THR 69 HB THR 69 -18.841 32.502 11.677 541 HG1 THR 69 HG1 THR 69 -17.620 31.234 10.091 542 HG21 THR 69 1HG2 THR 69 -20.864 32.683 10.272 543 HG22 THR 69 2HG2 THR 69 -20.250 34.293 10.721 544 HG23 THR 69 3HG2 THR 69 -19.955 33.651 9.088 545 H THR 70 H THR 70 -17.993 36.050 9.466 546 HA THR 70 HA THR 70 -17.483 37.588 11.875 547 HB THR 70 HB THR 70 -18.765 38.400 9.230 548 HG1 THR 70 HG1 THR 70 -16.636 39.270 8.881 549 HG21 THR 70 1HG2 THR 70 -18.238 40.704 9.942 550 HG22 THR 70 2HG2 THR 70 -19.369 39.929 11.075 551 HG23 THR 70 3HG2 THR 70 -17.650 40.089 11.505 552 H ALA 71 H ALA 71 -20.432 36.612 10.149 553 HA ALA 71 HA ALA 71 -21.978 37.243 12.594 554 HB1 ALA 71 3HB ALA 71 -22.623 38.428 9.873 555 HB2 ALA 71 1HB ALA 71 -23.649 38.534 11.323 556 HB3 ALA 71 2HB ALA 71 -22.059 39.325 11.299 557 H SER 72 H SER 72 -22.241 35.028 12.817 558 HA SER 72 HA SER 72 -23.480 33.388 10.682 559 HB2 SER 72 1HB SER 72 -21.878 32.430 12.067 560 HB3 SER 72 2HB SER 72 -22.850 32.793 13.511 561 HG SER 72 HG SER 72 -23.635 31.152 11.334 562 H THR 73 H THR 73 -25.558 33.934 10.195 563 HA THR 73 HA THR 73 -27.446 34.475 12.447 564 HB THR 73 HB THR 73 -28.954 35.383 10.778 565 HG1 THR 73 HG1 THR 73 -27.007 34.458 8.902 566 HG21 THR 73 1HG2 THR 73 -27.598 37.248 9.893 567 HG22 THR 73 2HG2 THR 73 -27.169 36.891 11.584 568 HG23 THR 73 3HG2 THR 73 -26.112 36.341 10.262 569 H LEU 74 H LEU 74 -29.793 33.776 11.727 570 HA LEU 74 HA LEU 74 -29.851 30.942 12.068 571 HB2 LEU 74 1HB LEU 74 -31.786 32.934 11.101 572 HB3 LEU 74 2HB LEU 74 -32.349 31.272 11.395 573 HG LEU 74 HG LEU 74 -31.190 33.168 13.474 574 HD11 LEU 74 1HD1 LEU 74 -33.512 33.145 14.422 575 HD12 LEU 74 2HD1 LEU 74 -33.497 33.786 12.763 576 HD13 LEU 74 3HD1 LEU 74 -34.038 32.118 13.069 577 HD21 LEU 74 3HD2 LEU 74 -30.619 30.858 13.939 578 HD22 LEU 74 1HD2 LEU 74 -31.833 31.430 15.108 579 HD23 LEU 74 2HD2 LEU 74 -32.322 30.370 13.763 580 H ASP 75 H ASP 75 -29.888 32.933 9.177 581 HA ASP 75 HA ASP 75 -30.550 30.709 7.397 582 HB2 ASP 75 1HB ASP 75 -29.398 33.500 6.812 583 HB3 ASP 75 2HB ASP 75 -29.759 32.164 5.691 584 H ASP 76 H ASP 76 -27.740 31.695 9.056 585 HA ASP 76 HA ASP 76 -25.958 30.283 7.130 586 HB2 ASP 76 1HB ASP 76 -25.227 31.838 9.688 587 HB3 ASP 76 2HB ASP 76 -24.216 30.988 8.494 588 H ASP 77 H ASP 77 -27.932 29.493 9.668 589 HA ASP 77 HA ASP 77 -26.284 27.584 11.071 590 HB2 ASP 77 1HB ASP 77 -28.573 28.475 11.890 591 HB3 ASP 77 2HB ASP 77 -29.176 27.525 10.509 592 H GLY 78 H GLY 78 -25.545 25.686 10.561 593 HA2 GLY 78 1HA GLY 78 -26.740 23.617 9.200 594 HA3 GLY 78 2HA GLY 78 -26.069 24.624 7.892 595 H ASN 79 H ASN 79 -24.750 22.721 7.419 596 HA ASN 79 HA ASN 79 -22.604 22.183 9.439 597 HB2 ASN 79 1HB ASN 79 -23.336 20.245 7.126 598 HB3 ASN 79 2HB ASN 79 -22.203 20.329 8.499 599 HD21 ASN 79 2HD2 ASN 79 -25.264 19.392 7.432 600 HD22 ASN 79 1HD2 ASN 79 -25.950 18.965 8.964 601 H TYR 80 H TYR 80 -20.894 23.371 9.127 602 HA TYR 80 HA TYR 80 -20.035 24.118 6.404 603 HB2 TYR 80 1HB TYR 80 -18.858 24.600 9.148 604 HB3 TYR 80 2HB TYR 80 -18.151 25.191 7.623 605 HD1 TYR 80 HD1 TYR 80 -21.360 25.300 9.566 606 HD2 TYR 80 HD2 TYR 80 -18.749 27.312 6.863 607 HE1 TYR 80 HE1 TYR 80 -22.801 27.312 9.682 608 HE2 TYR 80 HE2 TYR 80 -20.173 29.329 6.970 609 HH TYR 80 HH TYR 80 -23.284 29.352 8.593 610 H THR 81 H THR 81 -19.866 21.826 5.752 611 HA THR 81 HA THR 81 -17.975 20.076 7.046 612 HB THR 81 HB THR 81 -19.054 19.982 4.198 613 HG1 THR 81 HG1 THR 81 -20.546 18.485 5.169 614 HG21 THR 81 1HG2 THR 81 -18.489 17.581 4.333 615 HG22 THR 81 2HG2 THR 81 -17.039 18.593 4.536 616 HG23 THR 81 3HG2 THR 81 -17.801 17.834 5.954 617 H ILE 82 H ILE 82 -15.894 19.741 6.844 618 HA ILE 82 HA ILE 82 -14.421 21.357 4.782 619 HB ILE 82 HB ILE 82 -13.568 22.012 6.903 620 HG12 ILE 82 1HG1 ILE 82 -11.864 19.724 5.949 621 HG13 ILE 82 2HG1 ILE 82 -11.861 21.385 5.313 622 HG21 ILE 82 1HG2 ILE 82 -13.019 20.405 8.699 623 HG22 ILE 82 2HG2 ILE 82 -14.737 20.300 8.249 624 HG23 ILE 82 3HG2 ILE 82 -13.591 19.066 7.676 625 HD11 ILE 82 3HD1 ILE 82 -11.101 20.561 8.137 626 HD12 ILE 82 1HD1 ILE 82 -9.967 21.015 6.844 627 HD13 ILE 82 2HD1 ILE 82 -11.097 22.223 7.501 628 H MET 83 H MET 83 -13.031 20.516 3.413 629 HA MET 83 HA MET 83 -12.847 17.520 3.400 630 HB2 MET 83 1HB MET 83 -14.394 18.293 1.700 631 HB3 MET 83 2HB MET 83 -13.171 19.428 1.081 632 HG2 MET 83 1HG MET 83 -11.757 17.582 0.383 633 HG3 MET 83 2HG MET 83 -12.888 16.408 1.098 634 HE1 MET 83 3HE MET 83 -12.093 18.795 -1.870 635 HE2 MET 83 1HE MET 83 -13.655 18.918 -2.717 636 HE3 MET 83 2HE MET 83 -13.451 19.666 -1.114 637 H ALA 84 H ALA 84 -10.901 16.805 3.665 638 HA ALA 84 HA ALA 84 -8.609 18.569 3.044 639 HB1 ALA 84 3HB ALA 84 -8.726 15.831 4.358 640 HB2 ALA 84 1HB ALA 84 -7.269 16.840 4.183 641 HB3 ALA 84 2HB ALA 84 -8.620 17.397 5.198 642 H ALA 85 H ALA 85 -8.870 18.558 0.760 643 HA ALA 85 HA ALA 85 -8.520 15.943 -0.587 644 HB1 ALA 85 3HB ALA 85 -9.058 18.713 -1.714 645 HB2 ALA 85 1HB ALA 85 -9.001 17.203 -2.651 646 HB3 ALA 85 2HB ALA 85 -10.271 17.443 -1.428 647 H ASN 86 H ASN 86 -6.589 15.195 -0.991 648 HA ASN 86 HA ASN 86 -4.627 17.060 -2.243 649 HB2 ASN 86 1HB ASN 86 -2.813 16.544 -0.672 650 HB3 ASN 86 2HB ASN 86 -4.412 16.597 0.112 651 HD21 ASN 86 2HD2 ASN 86 -2.208 15.355 1.241 652 HD22 ASN 86 1HD2 ASN 86 -2.498 13.649 1.312 653 HA PRO 87 HA PRO 87 -3.643 14.109 -5.188 654 HB2 PRO 87 1HB PRO 87 -0.874 13.611 -4.012 655 HB3 PRO 87 2HB PRO 87 -1.301 14.098 -5.658 656 HG2 PRO 87 1HG PRO 87 -0.285 15.909 -3.991 657 HG3 PRO 87 2HG PRO 87 -1.624 16.366 -5.052 658 HD2 PRO 87 1HD PRO 87 -1.688 15.718 -2.080 659 HD3 PRO 87 2HD PRO 87 -2.588 16.955 -2.965 660 H GLN 88 H GLN 88 -3.084 13.133 -1.901 661 HA GLN 88 HA GLN 88 -2.810 10.288 -2.703 662 HB2 GLN 88 1HB GLN 88 -2.797 11.597 0.027 663 HB3 GLN 88 2HB GLN 88 -2.407 9.898 -0.334 664 HG2 GLN 88 1HG GLN 88 -0.556 12.328 -1.059 665 HG3 GLN 88 2HG GLN 88 -0.566 10.962 0.082 666 HE21 GLN 88 2HE2 GLN 88 0.596 12.067 -2.838 667 HE22 GLN 88 1HE2 GLN 88 0.992 10.551 -3.578 668 H GLY 89 H GLY 89 -5.302 12.401 -2.147 669 HA2 GLY 89 1HA GLY 89 -7.475 11.003 -2.524 670 HA3 GLY 89 2HA GLY 89 -7.043 10.301 -0.949 671 H ARG 90 H ARG 90 -9.315 11.227 -0.598 672 HA ARG 90 HA ARG 90 -9.019 13.891 0.683 673 HB2 ARG 90 1HB ARG 90 -10.941 14.823 -0.255 674 HB3 ARG 90 2HB ARG 90 -9.762 14.417 -1.525 675 HG2 ARG 90 1HG ARG 90 -11.080 12.409 -2.088 676 HG3 ARG 90 2HG ARG 90 -12.269 12.851 -0.840 677 HD2 ARG 90 1HD ARG 90 -12.715 14.924 -2.066 678 HD3 ARG 90 2HD ARG 90 -11.611 14.366 -3.344 679 HE ARG 90 HE ARG 90 -13.739 12.407 -3.053 680 HH11 ARG 90 1HH1 ARG 90 -13.294 15.683 -4.159 681 HH12 ARG 90 2HH1 ARG 90 -14.617 15.487 -5.292 682 HH21 ARG 90 1HH2 ARG 90 -15.261 12.168 -4.339 683 HH22 ARG 90 2HH2 ARG 90 -15.739 13.482 -5.395 684 H VAL 91 H VAL 91 -10.672 14.413 2.181 685 HA VAL 91 HA VAL 91 -12.643 12.383 2.965 686 HB VAL 91 HB VAL 91 -10.585 11.383 3.949 687 HG11 VAL 91 1HG1 VAL 91 -9.400 12.600 5.745 688 HG12 VAL 91 2HG1 VAL 91 -9.269 13.462 4.194 689 HG13 VAL 91 3HG1 VAL 91 -10.407 14.034 5.437 690 HG21 VAL 91 3HG2 VAL 91 -12.713 11.098 5.069 691 HG22 VAL 91 1HG2 VAL 91 -11.391 11.234 6.251 692 HG23 VAL 91 2HG2 VAL 91 -12.470 12.620 5.961 693 H SER 92 H SER 92 -14.183 13.088 4.300 694 HA SER 92 HA SER 92 -14.215 16.102 4.588 695 HB2 SER 92 1HB SER 92 -16.426 14.209 4.084 696 HB3 SER 92 2HB SER 92 -16.557 15.955 4.397 697 HG SER 92 HG SER 92 -16.517 15.454 2.163 698 H CYS 93 H CYS 93 -15.036 17.009 6.453 699 HA CYS 93 HA CYS 93 -16.017 15.180 8.654 700 HB2 CYS 93 1HB CYS 93 -13.614 15.671 8.930 701 HB3 CYS 93 2HB CYS 93 -13.941 17.413 8.762 702 HG CYS 93 HG CYS 93 -15.436 17.597 10.839 703 H THR 94 H THR 94 -17.776 15.959 9.676 704 HA THR 94 HA THR 94 -19.165 18.190 8.444 705 HB THR 94 HB THR 94 -19.847 16.643 10.977 706 HG1 THR 94 HG1 THR 94 -21.226 15.483 9.506 707 HG21 THR 94 1HG2 THR 94 -22.142 17.443 10.538 708 HG22 THR 94 2HG2 THR 94 -21.024 18.807 10.781 709 HG23 THR 94 3HG2 THR 94 -21.552 18.371 9.139 710 H GLY 95 H GLY 95 -19.212 20.240 8.907 711 HA2 GLY 95 1HA GLY 95 -17.940 21.128 11.455 712 HA3 GLY 95 2HA GLY 95 -18.150 22.122 9.995 713 H ARG 96 H ARG 96 -20.263 20.143 12.120 714 HA ARG 96 HA ARG 96 -22.643 21.574 11.586 715 HB2 ARG 96 1HB ARG 96 -22.563 19.398 12.625 716 HB3 ARG 96 2HB ARG 96 -21.939 20.148 14.113 717 HG2 ARG 96 1HG ARG 96 -23.986 21.375 14.431 718 HG3 ARG 96 2HG ARG 96 -24.601 20.848 12.846 719 HD2 ARG 96 1HD ARG 96 -24.621 18.543 13.672 720 HD3 ARG 96 2HD ARG 96 -24.128 19.148 15.272 721 HE ARG 96 HE ARG 96 -26.650 20.406 14.525 722 HH11 ARG 96 1HH1 ARG 96 -25.402 17.291 15.473 723 HH12 ARG 96 2HH1 ARG 96 -26.949 16.881 16.189 724 HH21 ARG 96 1HH2 ARG 96 -28.429 19.949 15.332 725 HH22 ARG 96 2HH2 ARG 96 -28.677 18.397 16.108 726 H LEU 97 H LEU 97 -22.943 23.658 11.733 727 HA LEU 97 HA LEU 97 -22.344 24.901 14.395 728 HB2 LEU 97 1HB LEU 97 -20.970 25.815 12.853 729 HB3 LEU 97 2HB LEU 97 -22.191 26.137 11.600 730 HG LEU 97 HG LEU 97 -23.288 27.740 13.210 731 HD11 LEU 97 1HD1 LEU 97 -21.871 28.588 15.100 732 HD12 LEU 97 2HD1 LEU 97 -22.245 26.860 15.297 733 HD13 LEU 97 3HD1 LEU 97 -20.643 27.363 14.708 734 HD21 LEU 97 3HD2 LEU 97 -21.908 28.531 11.381 735 HD22 LEU 97 1HD2 LEU 97 -21.670 29.563 12.812 736 HD23 LEU 97 2HD2 LEU 97 -20.441 28.352 12.371 737 H MET 98 H MET 98 -24.120 24.972 15.520 738 HA MET 98 HA MET 98 -26.707 25.488 14.122 739 HB2 MET 98 1HB MET 98 -26.082 24.694 16.966 740 HB3 MET 98 2HB MET 98 -27.708 24.897 16.271 741 HG2 MET 98 1HG MET 98 -25.647 22.852 15.392 742 HG3 MET 98 2HG MET 98 -27.045 22.522 16.443 743 HE1 MET 98 3HE MET 98 -29.406 24.128 15.235 744 HE2 MET 98 1HE MET 98 -30.085 22.970 14.066 745 HE3 MET 98 2HE MET 98 -29.514 22.401 15.655 746 H VAL 99 H VAL 99 -28.082 27.125 14.618 747 HA VAL 99 HA VAL 99 -26.869 29.404 16.178 748 HB VAL 99 HB VAL 99 -28.480 29.595 13.601 749 HG11 VAL 99 1HG1 VAL 99 -27.900 31.994 13.743 750 HG12 VAL 99 2HG1 VAL 99 -28.827 31.474 15.170 751 HG13 VAL 99 3HG1 VAL 99 -27.065 31.701 15.288 752 HG21 VAL 99 3HG2 VAL 99 -26.263 28.731 13.141 753 HG22 VAL 99 1HG2 VAL 99 -26.418 30.408 12.571 754 HG23 VAL 99 2HG2 VAL 99 -25.531 30.059 14.074 755 H GLN 100 H GLN 100 -27.998 30.257 17.689 756 HA GLN 100 HA GLN 100 -30.817 29.346 17.996 757 HB2 GLN 100 1HB GLN 100 -28.989 30.852 19.874 758 HB3 GLN 100 2HB GLN 100 -30.627 30.266 20.248 759 HG2 GLN 100 1HG GLN 100 -28.160 28.362 19.821 760 HG3 GLN 100 2HG GLN 100 -29.076 29.010 21.200 761 HE21 GLN 100 2HE2 GLN 100 -28.787 26.495 18.960 762 HE22 GLN 100 1HE2 GLN 100 -30.321 25.734 19.222 763 H ALA 101 H ALA 101 -32.549 30.658 18.204 764 HA ALA 101 HA ALA 101 -32.335 33.185 16.768 765 HB1 ALA 101 3HB ALA 101 -34.689 31.898 18.192 766 HB2 ALA 101 1HB ALA 101 -34.773 33.304 17.108 767 HB3 ALA 101 2HB ALA 101 -34.280 31.721 16.468 768 H VAL 102 H VAL 102 -32.664 35.245 17.478 769 HA VAL 102 HA VAL 102 -32.724 35.647 20.462 770 HB VAL 102 HB VAL 102 -31.101 37.217 18.415 771 HG11 VAL 102 1HG1 VAL 102 -30.236 38.410 20.400 772 HG12 VAL 102 2HG1 VAL 102 -31.998 38.609 20.251 773 HG13 VAL 102 3HG1 VAL 102 -31.327 37.469 21.443 774 HG21 VAL 102 3HG2 VAL 102 -30.098 35.054 18.848 775 HG22 VAL 102 1HG2 VAL 102 -29.138 36.356 19.589 776 HG23 VAL 102 2HG2 VAL 102 -30.191 35.340 20.603 777 H ASN 103 H ASN 103 -34.395 36.646 21.136 778 HA ASN 103 HA ASN 103 -36.280 37.801 19.253 779 HB2 ASN 103 1HB ASN 103 -36.435 37.853 22.362 780 HB3 ASN 103 2HB ASN 103 -37.409 38.516 21.027 781 HD21 ASN 103 2HD2 ASN 103 -37.953 36.474 23.124 782 HD22 ASN 103 1HD2 ASN 103 -38.510 35.080 22.259 783 H GLN 104 H GLN 104 -33.618 39.056 21.060 784 HA GLN 104 HA GLN 104 -34.607 41.842 20.838 785 HB2 GLN 104 1HB GLN 104 -31.998 40.712 21.881 786 HB3 GLN 104 2HB GLN 104 -32.523 42.409 21.985 787 HG2 GLN 104 1HG GLN 104 -33.805 40.071 23.646 788 HG3 GLN 104 2HG GLN 104 -32.723 41.453 23.936 789 HE21 GLN 104 2HE2 GLN 104 -35.868 40.369 24.110 790 HE22 GLN 104 1HE2 GLN 104 -36.693 41.891 24.139 791 H ARG 105 H ARG 105 -33.112 39.669 18.831 792 HA ARG 105 HA ARG 105 -31.162 41.407 17.570 793 HB2 ARG 105 1HB ARG 105 -30.970 39.048 17.408 794 HB3 ARG 105 2HB ARG 105 -32.521 38.956 16.544 795 HG2 ARG 105 1HG ARG 105 -30.750 38.764 14.930 796 HG3 ARG 105 2HG ARG 105 -31.528 40.353 14.728 797 HD2 ARG 105 1HD ARG 105 -29.213 40.643 14.499 798 HD3 ARG 105 2HD ARG 105 -29.690 41.326 16.071 799 HE ARG 105 HE ARG 105 -28.520 38.604 16.301 800 HH11 ARG 105 1HH1 ARG 105 -27.803 42.015 16.193 801 HH12 ARG 105 2HH1 ARG 105 -26.314 41.736 17.076 802 HH21 ARG 105 1HH2 ARG 105 -26.815 38.267 17.305 803 HH22 ARG 105 2HH2 ARG 105 -25.749 39.599 17.711 804 H GLY 106 H GLY 106 -31.646 43.257 16.688 805 HA2 GLY 106 1HA GLY 106 -34.297 43.884 15.733 806 HA3 GLY 106 2HA GLY 106 -32.840 44.890 15.557 807 H ARG 107 H ARG 107 -31.579 42.325 14.325 808 HA ARG 107 HA ARG 107 -32.385 43.003 11.548 809 HB2 ARG 107 1HB ARG 107 -30.120 41.360 12.590 810 HB3 ARG 107 2HB ARG 107 -30.495 41.655 10.876 811 HG2 ARG 107 1HG ARG 107 -30.140 44.058 11.201 812 HG3 ARG 107 2HG ARG 107 -29.790 43.780 12.925 813 HD2 ARG 107 1HD ARG 107 -27.851 42.455 12.295 814 HD3 ARG 107 2HD ARG 107 -28.191 42.800 10.582 815 HE ARG 107 HE ARG 107 -27.785 45.346 11.848 816 HH11 ARG 107 1HH1 ARG 107 -25.909 42.452 11.333 817 HH12 ARG 107 2HH1 ARG 107 -24.439 43.406 11.287 818 HH21 ARG 107 1HH2 ARG 107 -26.110 46.451 11.806 819 HH22 ARG 107 2HH2 ARG 107 -24.553 45.686 11.557 820 H SER 108 H SER 108 -33.413 40.893 13.864 821 HA SER 108 HA SER 108 -33.680 38.390 12.395 822 HB2 SER 108 1HB SER 108 -33.694 38.423 14.715 823 HB3 SER 108 2HB SER 108 -35.157 39.433 14.732 824 HG SER 108 HG SER 108 -34.928 36.838 13.608 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 9.538 1.800 5.547 2 H2 GLY 1 2H GLY 1 9.315 0.990 4.304 3 H3 GLY 1 3H GLY 1 9.367 2.487 4.225 4 HA2 GLY 1 1HA GLY 1 7.012 0.941 4.581 5 HA3 GLY 1 2HA GLY 1 7.276 1.901 6.055 6 H GLY 2 H GLY 2 5.111 2.073 4.078 7 HA2 GLY 2 1HA GLY 2 3.853 3.752 3.105 8 HA3 GLY 2 2HA GLY 2 4.955 4.925 3.869 9 H SER 3 H SER 3 5.808 6.263 2.438 10 HA SER 3 HA SER 3 7.361 5.511 0.126 11 HB2 SER 3 1HB SER 3 5.513 4.554 -0.810 12 HB3 SER 3 2HB SER 3 4.509 5.986 -0.483 13 HG SER 3 HG SER 3 5.293 5.923 -2.633 14 H ASN 4 H ASN 4 7.211 7.480 2.349 15 HA ASN 4 HA ASN 4 7.684 9.729 2.686 16 HB2 ASN 4 1HB ASN 4 8.242 9.916 -0.372 17 HB3 ASN 4 2HB ASN 4 8.335 11.011 1.028 18 HD21 ASN 4 2HD2 ASN 4 10.334 9.754 -0.877 19 HD22 ASN 4 1HD2 ASN 4 11.556 9.105 0.166 20 H ALA 5 H ALA 5 4.984 8.858 2.388 21 HA ALA 5 HA ALA 5 3.774 11.483 1.908 22 HB1 ALA 5 3HB ALA 5 2.954 9.082 0.238 23 HB2 ALA 5 1HB ALA 5 2.112 10.647 0.289 24 HB3 ALA 5 2HB ALA 5 3.766 10.548 -0.361 25 H THR 6 H THR 6 1.601 11.652 2.640 26 HA THR 6 HA THR 6 0.658 9.403 4.351 27 HB THR 6 HB THR 6 1.074 12.241 5.371 28 HG1 THR 6 HG1 THR 6 2.369 9.778 6.041 29 HG21 THR 6 1HG2 THR 6 0.318 11.299 7.526 30 HG22 THR 6 2HG2 THR 6 -0.943 11.142 6.281 31 HG23 THR 6 3HG2 THR 6 0.035 9.729 6.741 32 H ALA 7 H ALA 7 -1.405 9.060 4.193 33 HA ALA 7 HA ALA 7 -3.076 10.700 2.540 34 HB1 ALA 7 3HB ALA 7 -3.828 8.555 4.554 35 HB2 ALA 7 1HB ALA 7 -4.903 9.234 3.312 36 HB3 ALA 7 2HB ALA 7 -3.469 8.294 2.831 37 HA PRO 8 HA PRO 8 -4.487 13.907 5.156 38 HB2 PRO 8 1HB PRO 8 -7.225 13.286 3.976 39 HB3 PRO 8 2HB PRO 8 -6.373 14.835 4.032 40 HG2 PRO 8 1HG PRO 8 -6.505 13.501 1.728 41 HG3 PRO 8 2HG PRO 8 -4.994 14.301 2.181 42 HD2 PRO 8 1HD PRO 8 -5.697 11.343 2.328 43 HD3 PRO 8 2HD PRO 8 -4.170 12.098 1.857 44 H PHE 9 H PHE 9 -4.967 13.997 7.170 45 HA PHE 9 HA PHE 9 -7.173 12.361 8.257 46 HB2 PHE 9 1HB PHE 9 -5.302 10.795 8.481 47 HB3 PHE 9 2HB PHE 9 -4.305 12.056 9.242 48 HD1 PHE 9 HD1 PHE 9 -7.338 9.976 9.671 49 HD2 PHE 9 HD2 PHE 9 -4.406 12.467 11.527 50 HE1 PHE 9 HE1 PHE 9 -8.158 9.279 11.896 51 HE2 PHE 9 HE2 PHE 9 -5.220 11.770 13.755 52 HZ PHE 9 HZ PHE 9 -7.098 10.176 13.938 53 H PHE 10 H PHE 10 -8.340 13.550 9.523 54 HA PHE 10 HA PHE 10 -7.468 16.177 10.386 55 HB2 PHE 10 1HB PHE 10 -9.893 14.475 11.094 56 HB3 PHE 10 2HB PHE 10 -9.643 16.140 11.669 57 HD1 PHE 10 HD2 PHE 10 -9.198 17.910 9.809 58 HD2 PHE 10 HD1 PHE 10 -11.070 14.123 9.177 59 HE1 PHE 10 HE2 PHE 10 -10.266 18.782 7.757 60 HE2 PHE 10 HE1 PHE 10 -12.139 14.991 7.123 61 HZ PHE 10 HZ PHE 10 -11.735 17.322 6.413 62 H GLU 11 H GLU 11 -5.516 15.720 11.484 63 HA GLU 11 HA GLU 11 -5.445 14.286 13.977 64 HB2 GLU 11 1HB GLU 11 -3.401 15.400 14.383 65 HB3 GLU 11 2HB GLU 11 -3.473 14.997 12.650 66 HG2 GLU 11 1HG GLU 11 -4.080 17.418 12.157 67 HG3 GLU 11 2HG GLU 11 -4.025 17.646 13.920 68 H MET 12 H MET 12 -6.656 17.439 13.109 69 HA MET 12 HA MET 12 -7.790 17.512 15.879 70 HB2 MET 12 1HB MET 12 -6.055 19.222 15.679 71 HB3 MET 12 2HB MET 12 -6.858 19.865 14.227 72 HG2 MET 12 1HG MET 12 -8.782 20.538 15.523 73 HG3 MET 12 2HG MET 12 -8.124 19.755 16.979 74 HE1 MET 12 3HE MET 12 -8.085 22.844 14.628 75 HE2 MET 12 1HE MET 12 -6.565 23.666 15.056 76 HE3 MET 12 2HE MET 12 -6.523 22.107 14.195 77 H LYS 13 H LYS 13 -9.859 17.156 15.800 78 HA LYS 13 HA LYS 13 -11.229 17.556 13.183 79 HB2 LYS 13 1HB LYS 13 -11.979 15.958 15.634 80 HB3 LYS 13 2HB LYS 13 -12.941 16.071 14.140 81 HG2 LYS 13 1HG LYS 13 -11.089 15.030 12.880 82 HG3 LYS 13 2HG LYS 13 -10.151 14.895 14.387 83 HD2 LYS 13 1HD LYS 13 -11.875 13.439 15.349 84 HD3 LYS 13 2HD LYS 13 -12.848 13.599 13.868 85 HE2 LYS 13 1HE LYS 13 -11.031 12.563 12.569 86 HE3 LYS 13 2HE LYS 13 -10.073 12.388 14.056 87 HZ1 LYS 13 3HZ LYS 13 -12.681 11.111 13.536 88 HZ2 LYS 13 1HZ LYS 13 -11.217 10.354 13.490 89 HZ3 LYS 13 2HZ LYS 13 -11.793 10.949 14.917 90 H LEU 14 H LEU 14 -13.522 18.147 13.214 91 HA LEU 14 HA LEU 14 -13.889 20.550 14.885 92 HB2 LEU 14 1HB LEU 14 -15.521 19.209 12.831 93 HB3 LEU 14 2HB LEU 14 -15.999 20.800 13.467 94 HG LEU 14 HG LEU 14 -13.525 20.148 11.820 95 HD11 LEU 14 1HD1 LEU 14 -14.574 21.701 10.154 96 HD12 LEU 14 2HD1 LEU 14 -15.636 20.318 10.504 97 HD13 LEU 14 3HD1 LEU 14 -15.967 21.903 11.241 98 HD21 LEU 14 3HD2 LEU 14 -12.995 21.794 13.520 99 HD22 LEU 14 1HD2 LEU 14 -13.035 22.567 11.917 100 HD23 LEU 14 2HD2 LEU 14 -14.397 22.780 13.043 101 H LYS 15 H LYS 15 -16.099 20.966 15.791 102 HA LYS 15 HA LYS 15 -17.336 18.480 16.897 103 HB2 LYS 15 1HB LYS 15 -17.511 19.472 19.074 104 HB3 LYS 15 2HB LYS 15 -15.805 19.369 18.580 105 HG2 LYS 15 1HG LYS 15 -15.850 21.773 17.988 106 HG3 LYS 15 2HG LYS 15 -17.538 21.863 18.545 107 HD2 LYS 15 1HD LYS 15 -16.809 21.156 20.804 108 HD3 LYS 15 2HD LYS 15 -15.123 21.132 20.237 109 HE2 LYS 15 1HE LYS 15 -15.255 23.526 19.719 110 HE3 LYS 15 2HE LYS 15 -16.948 23.557 20.261 111 HZ1 LYS 15 3HZ LYS 15 -14.618 22.919 21.954 112 HZ2 LYS 15 1HZ LYS 15 -15.453 24.341 21.970 113 HZ3 LYS 15 2HZ LYS 15 -16.188 22.947 22.458 114 H HIS 16 H HIS 16 -19.393 19.148 18.168 115 HA HIS 16 HA HIS 16 -21.136 20.574 16.324 116 HB2 HIS 16 1HB HIS 16 -21.920 18.666 17.765 117 HB3 HIS 16 2HB HIS 16 -21.690 19.700 19.195 118 HD1 HIS 16 HD1 HIS 16 -24.359 18.924 19.272 119 HD2 HIS 16 HD2 HIS 16 -23.298 21.992 16.586 120 HE1 HIS 16 HE1 HIS 16 -26.445 20.051 18.678 121 H TYR 17 H TYR 17 -21.025 22.654 16.029 122 HA TYR 17 HA TYR 17 -20.230 24.396 18.314 123 HB2 TYR 17 1HB TYR 17 -20.539 24.968 15.359 124 HB3 TYR 17 2HB TYR 17 -19.982 26.123 16.594 125 HD1 TYR 17 HD2 TYR 17 -17.860 25.454 17.929 126 HD2 TYR 17 HD1 TYR 17 -18.971 23.636 14.235 127 HE1 TYR 17 HE2 TYR 17 -15.533 24.674 17.624 128 HE2 TYR 17 HE1 TYR 17 -16.644 22.847 13.914 129 HH TYR 17 HH TYR 17 -14.072 23.557 16.280 130 H LYS 18 H LYS 18 -21.406 26.037 19.108 131 HA LYS 18 HA LYS 18 -24.139 26.454 17.966 132 HB2 LYS 18 1HB LYS 18 -23.420 26.019 20.868 133 HB3 LYS 18 2HB LYS 18 -24.985 26.641 20.292 134 HG2 LYS 18 1HG LYS 18 -25.328 24.525 19.035 135 HG3 LYS 18 2HG LYS 18 -23.803 23.904 19.710 136 HD2 LYS 18 1HD LYS 18 -24.724 24.164 21.991 137 HD3 LYS 18 2HD LYS 18 -26.258 24.738 21.294 138 HE2 LYS 18 1HE LYS 18 -26.533 22.594 20.127 139 HE3 LYS 18 2HE LYS 18 -24.998 22.019 20.818 140 HZ1 LYS 18 3HZ LYS 18 -27.402 22.758 22.359 141 HZ2 LYS 18 1HZ LYS 18 -26.890 21.219 22.063 142 HZ3 LYS 18 2HZ LYS 18 -25.980 22.226 23.001 143 H ILE 19 H ILE 19 -24.880 28.467 17.929 144 HA ILE 19 HA ILE 19 -23.489 30.611 19.425 145 HB ILE 19 HB ILE 19 -22.189 30.256 17.232 146 HG12 ILE 19 1HG1 ILE 19 -22.229 32.676 16.663 147 HG13 ILE 19 2HG1 ILE 19 -23.566 32.859 17.822 148 HG21 ILE 19 1HG2 ILE 19 -23.270 31.142 15.193 149 HG22 ILE 19 2HG2 ILE 19 -24.141 29.719 15.811 150 HG23 ILE 19 3HG2 ILE 19 -24.792 31.351 16.089 151 HD11 ILE 19 3HD1 ILE 19 -20.772 31.861 18.476 152 HD12 ILE 19 1HD1 ILE 19 -21.413 33.478 18.845 153 HD13 ILE 19 2HD1 ILE 19 -22.110 32.043 19.634 154 H PHE 20 H PHE 20 -24.567 32.501 19.617 155 HA PHE 20 HA PHE 20 -27.459 32.351 19.127 156 HB2 PHE 20 1HB PHE 20 -25.620 34.417 20.383 157 HB3 PHE 20 2HB PHE 20 -27.346 34.730 20.094 158 HD1 PHE 20 HD2 PHE 20 -29.044 33.251 21.181 159 HD2 PHE 20 HD1 PHE 20 -24.903 33.210 22.232 160 HE1 PHE 20 HE2 PHE 20 -29.604 32.174 23.335 161 HE2 PHE 20 HE1 PHE 20 -25.458 32.131 24.386 162 HZ PHE 20 HZ PHE 20 -27.809 31.613 24.938 163 H GLU 21 H GLU 21 -28.701 33.695 17.871 164 HA GLU 21 HA GLU 21 -27.747 34.080 15.229 165 HB2 GLU 21 1HB GLU 21 -30.114 33.887 15.898 166 HB3 GLU 21 2HB GLU 21 -30.015 35.511 16.621 167 HG2 GLU 21 1HG GLU 21 -29.511 36.444 14.293 168 HG3 GLU 21 2HG GLU 21 -29.650 34.755 13.752 169 H GLY 22 H GLY 22 -26.364 35.415 14.395 170 HA2 GLY 22 1HA GLY 22 -25.956 37.661 13.647 171 HA3 GLY 22 2HA GLY 22 -26.577 38.276 15.197 172 H MET 23 H MET 23 -24.858 35.842 16.294 173 HA MET 23 HA MET 23 -22.566 37.594 16.940 174 HB2 MET 23 1HB MET 23 -23.327 34.824 17.869 175 HB3 MET 23 2HB MET 23 -21.975 35.800 18.495 176 HG2 MET 23 1HG MET 23 -24.911 36.549 18.658 177 HG3 MET 23 2HG MET 23 -23.961 35.832 19.981 178 HE1 MET 23 3HE MET 23 -21.221 37.181 20.009 179 HE2 MET 23 1HE MET 23 -21.505 38.633 20.998 180 HE3 MET 23 2HE MET 23 -22.265 37.087 21.447 181 HA PRO 24 HA PRO 24 -19.736 35.706 14.207 182 HB2 PRO 24 1HB PRO 24 -17.362 36.262 15.471 183 HB3 PRO 24 2HB PRO 24 -18.333 37.575 14.792 184 HG2 PRO 24 1HG PRO 24 -18.167 36.619 17.669 185 HG3 PRO 24 2HG PRO 24 -18.135 38.274 17.045 186 HD2 PRO 24 1HD PRO 24 -20.435 37.149 18.054 187 HD3 PRO 24 2HD PRO 24 -20.484 38.351 16.761 188 H VAL 25 H VAL 25 -18.429 33.973 13.843 189 HA VAL 25 HA VAL 25 -18.052 32.062 16.127 190 HB VAL 25 HB VAL 25 -19.153 31.331 13.379 191 HG11 VAL 25 1HG1 VAL 25 -19.351 29.068 14.354 192 HG12 VAL 25 2HG1 VAL 25 -17.659 29.622 14.357 193 HG13 VAL 25 3HG1 VAL 25 -18.609 29.653 15.862 194 HG21 VAL 25 3HG2 VAL 25 -20.853 32.432 14.711 195 HG22 VAL 25 1HG2 VAL 25 -21.196 30.692 14.557 196 HG23 VAL 25 2HG2 VAL 25 -20.520 31.335 16.074 197 H THR 26 H THR 26 -16.123 31.363 16.336 198 HA THR 26 HA THR 26 -14.371 31.301 13.904 199 HB THR 26 HB THR 26 -13.543 32.172 16.706 200 HG1 THR 26 HG1 THR 26 -14.027 33.613 14.294 201 HG21 THR 26 1HG2 THR 26 -11.388 32.702 15.623 202 HG22 THR 26 2HG2 THR 26 -11.776 30.972 15.465 203 HG23 THR 26 3HG2 THR 26 -12.006 32.066 14.081 204 H PHE 27 H PHE 27 -13.634 29.397 13.456 205 HA PHE 27 HA PHE 27 -12.383 27.801 15.575 206 HB2 PHE 27 1HB PHE 27 -13.670 25.735 15.071 207 HB3 PHE 27 2HB PHE 27 -14.715 26.998 15.761 208 HD1 PHE 27 HD2 PHE 27 -16.361 28.133 14.402 209 HD2 PHE 27 HD1 PHE 27 -13.938 24.986 12.827 210 HE1 PHE 27 HE2 PHE 27 -17.913 27.897 12.491 211 HE2 PHE 27 HE1 PHE 27 -15.486 24.750 10.913 212 HZ PHE 27 HZ PHE 27 -17.473 26.207 10.746 213 H THR 28 H THR 28 -11.392 25.785 14.668 214 HA THR 28 HA THR 28 -10.533 26.133 11.849 215 HB THR 28 HB THR 28 -9.064 27.682 13.167 216 HG1 THR 28 HG1 THR 28 -7.109 26.724 12.357 217 HG21 THR 28 1HG2 THR 28 -7.431 26.699 14.737 218 HG22 THR 28 2HG2 THR 28 -9.099 26.449 15.307 219 HG23 THR 28 3HG2 THR 28 -8.208 25.109 14.549 220 H CYS 29 H CYS 29 -9.051 24.468 11.129 221 HA CYS 29 HA CYS 29 -9.267 21.891 12.699 222 HB2 CYS 29 1HB CYS 29 -11.205 22.372 11.107 223 HB3 CYS 29 2HB CYS 29 -10.016 22.318 9.783 224 HG CYS 29 HG CYS 29 -10.895 20.015 11.919 225 H ARG 30 H ARG 30 -7.589 20.506 12.366 226 HA ARG 30 HA ARG 30 -5.432 21.432 10.494 227 HB2 ARG 30 1HB ARG 30 -4.864 22.035 12.736 228 HB3 ARG 30 2HB ARG 30 -5.066 20.345 13.251 229 HG2 ARG 30 1HG ARG 30 -3.216 19.658 11.822 230 HG3 ARG 30 2HG ARG 30 -3.040 21.323 11.215 231 HD2 ARG 30 1HD ARG 30 -2.696 20.533 14.086 232 HD3 ARG 30 2HD ARG 30 -1.374 20.605 12.900 233 HE ARG 30 HE ARG 30 -2.434 23.228 12.898 234 HH11 ARG 30 1HH1 ARG 30 -1.282 21.116 15.422 235 HH12 ARG 30 2HH1 ARG 30 -0.748 22.504 16.349 236 HH21 ARG 30 1HH2 ARG 30 -1.835 24.829 13.952 237 HH22 ARG 30 2HH2 ARG 30 -1.063 24.622 15.512 238 H VAL 31 H VAL 31 -4.373 19.972 9.315 239 HA VAL 31 HA VAL 31 -5.353 17.126 9.517 240 HB VAL 31 HB VAL 31 -4.940 18.770 6.981 241 HG11 VAL 31 1HG1 VAL 31 -5.826 16.760 5.847 242 HG12 VAL 31 2HG1 VAL 31 -4.332 16.386 6.737 243 HG13 VAL 31 3HG1 VAL 31 -5.910 15.915 7.410 244 HG21 VAL 31 3HG2 VAL 31 -6.965 19.444 8.127 245 HG22 VAL 31 1HG2 VAL 31 -7.349 18.528 6.650 246 HG23 VAL 31 2HG2 VAL 31 -7.487 17.746 8.244 247 H ALA 32 H ALA 32 -3.892 15.689 9.733 248 HA ALA 32 HA ALA 32 -1.076 16.409 9.240 249 HB1 ALA 32 3HB ALA 32 -2.333 13.861 10.317 250 HB2 ALA 32 1HB ALA 32 -0.593 14.215 10.253 251 HB3 ALA 32 2HB ALA 32 -1.658 15.190 11.289 252 H GLY 33 H GLY 33 -1.755 16.678 6.882 253 HA2 GLY 33 1HA GLY 33 -1.642 14.033 5.488 254 HA3 GLY 33 2HA GLY 33 -2.320 15.528 4.802 255 H ASN 34 H ASN 34 -0.376 13.917 3.508 256 HA ASN 34 HA ASN 34 1.641 16.001 3.033 257 HB2 ASN 34 3HB ASN 34 2.559 14.542 4.978 258 HB3 ASN 34 2HB ASN 34 2.531 13.154 3.916 259 HD21 ASN 34 2HD2 ASN 34 4.806 14.049 5.230 260 HD22 ASN 34 1HD2 ASN 34 5.961 14.556 3.888 261 HA PRO 35 HA PRO 35 2.386 16.891 1.681 262 HB2 PRO 35 1HB PRO 35 0.907 17.814 -0.773 263 HB3 PRO 35 2HB PRO 35 2.613 18.042 -0.365 264 HG2 PRO 35 1HG PRO 35 1.905 16.322 -2.302 265 HG3 PRO 35 2HG PRO 35 3.244 15.936 -1.214 266 HD2 PRO 35 1HD PRO 35 0.363 14.923 -1.114 267 HD3 PRO 35 2HD PRO 35 1.862 14.009 -0.908 268 H LYS 36 H LYS 36 1.355 18.991 2.053 269 HA LYS 36 HA LYS 36 -0.943 18.598 3.706 270 HB2 LYS 36 1HB LYS 36 0.396 21.036 2.561 271 HB3 LYS 36 2HB LYS 36 -1.062 21.143 3.576 272 HG2 LYS 36 1HG LYS 36 1.010 21.521 4.876 273 HG3 LYS 36 2HG LYS 36 0.110 20.092 5.434 274 HD2 LYS 36 1HD LYS 36 1.645 18.595 4.472 275 HD3 LYS 36 2HD LYS 36 2.329 19.844 3.405 276 HE2 LYS 36 1HE LYS 36 3.892 19.345 5.197 277 HE3 LYS 36 2HE LYS 36 3.263 21.000 5.374 278 HZ1 LYS 36 3HZ LYS 36 2.328 18.639 6.877 279 HZ2 LYS 36 1HZ LYS 36 3.298 19.832 7.473 280 HZ3 LYS 36 2HZ LYS 36 1.743 20.173 7.042 281 HA PRO 37 HA PRO 37 -3.958 18.305 0.485 282 HB2 PRO 37 1HB PRO 37 -5.782 18.474 2.914 283 HB3 PRO 37 2HB PRO 37 -5.784 17.273 1.617 284 HG2 PRO 37 1HG PRO 37 -4.809 16.611 4.010 285 HG3 PRO 37 2HG PRO 37 -3.976 16.059 2.551 286 HD2 PRO 37 1HD PRO 37 -3.206 18.303 4.449 287 HD3 PRO 37 2HD PRO 37 -2.158 17.182 3.571 288 H LYS 38 H LYS 38 -5.376 19.587 -0.539 289 HA LYS 38 HA LYS 38 -5.294 22.430 0.222 290 HB2 LYS 38 1HB LYS 38 -6.619 20.948 -2.050 291 HB3 LYS 38 2HB LYS 38 -6.657 22.714 -1.831 292 HG2 LYS 38 1HG LYS 38 -4.192 22.777 -2.017 293 HG3 LYS 38 2HG LYS 38 -4.177 21.017 -2.279 294 HD2 LYS 38 1HD LYS 38 -5.539 21.304 -4.308 295 HD3 LYS 38 2HD LYS 38 -5.560 23.064 -4.046 296 HE2 LYS 38 1HE LYS 38 -3.113 23.128 -4.254 297 HE3 LYS 38 2HE LYS 38 -3.088 21.368 -4.510 298 HZ1 LYS 38 3HZ LYS 38 -4.400 23.338 -6.271 299 HZ2 LYS 38 1HZ LYS 38 -2.975 22.571 -6.586 300 HZ3 LYS 38 2HZ LYS 38 -4.377 21.706 -6.509 301 H ILE 39 H ILE 39 -6.371 22.375 2.221 302 HA ILE 39 HA ILE 39 -8.979 21.220 2.585 303 HB ILE 39 HB ILE 39 -7.547 23.484 4.050 304 HG12 ILE 39 1HG1 ILE 39 -8.007 20.627 4.862 305 HG13 ILE 39 2HG1 ILE 39 -6.521 21.241 4.101 306 HG21 ILE 39 1HG2 ILE 39 -9.226 23.148 5.832 307 HG22 ILE 39 2HG2 ILE 39 -9.997 23.675 4.318 308 HG23 ILE 39 3HG2 ILE 39 -10.077 21.967 4.810 309 HD11 ILE 39 3HD1 ILE 39 -7.662 22.153 6.765 310 HD12 ILE 39 1HD1 ILE 39 -6.266 21.075 6.546 311 HD13 ILE 39 2HD1 ILE 39 -6.177 22.768 6.004 312 H TYR 40 H TYR 40 -10.836 21.679 1.825 313 HA TYR 40 HA TYR 40 -11.424 24.558 1.207 314 HB2 TYR 40 1HB TYR 40 -12.540 22.039 -0.045 315 HB3 TYR 40 2HB TYR 40 -13.112 23.694 -0.370 316 HD1 TYR 40 HD2 TYR 40 -11.248 25.371 -1.186 317 HD2 TYR 40 HD1 TYR 40 -10.924 21.128 -1.458 318 HE1 TYR 40 HE2 TYR 40 -9.541 25.626 -2.957 319 HE2 TYR 40 HE1 TYR 40 -9.212 21.365 -3.233 320 HH TYR 40 HH TYR 40 -8.136 24.560 -4.398 321 H TRP 41 H TRP 41 -13.248 25.478 1.933 322 HA TRP 41 HA TRP 41 -14.954 23.801 3.740 323 HB2 TRP 41 1HB TRP 41 -14.464 26.810 3.654 324 HB3 TRP 41 2HB TRP 41 -15.687 26.020 4.679 325 HD1 TRP 41 HD1 TRP 41 -12.048 26.542 4.282 326 HE1 TRP 41 HE1 TRP 41 -10.781 25.865 6.568 327 HE3 TRP 41 HE3 TRP 41 -15.991 24.449 6.714 328 HZ2 TRP 41 HZ2 TRP 41 -11.512 24.640 8.937 329 HZ3 TRP 41 HZ3 TRP 41 -15.706 23.546 8.938 330 HH2 TRP 41 HH2 TRP 41 -13.532 23.613 10.084 331 H PHE 42 H PHE 42 -17.059 23.543 3.414 332 HA PHE 42 HA PHE 42 -18.506 25.465 1.697 333 HB2 PHE 42 1HB PHE 42 -19.544 23.630 0.352 334 HB3 PHE 42 2HB PHE 42 -17.801 23.798 0.043 335 HD1 PHE 42 HD2 PHE 42 -16.221 22.155 0.944 336 HD2 PHE 42 HD1 PHE 42 -20.453 21.664 1.277 337 HE1 PHE 42 HE2 PHE 42 -15.903 19.751 1.424 338 HE2 PHE 42 HE1 PHE 42 -20.137 19.261 1.760 339 HZ PHE 42 HZ PHE 42 -17.862 18.303 1.834 340 H LYS 43 H LYS 43 -20.700 25.548 2.024 341 HA LYS 43 HA LYS 43 -21.487 24.273 4.627 342 HB2 LYS 43 1HB LYS 43 -21.156 26.777 4.520 343 HB3 LYS 43 2HB LYS 43 -22.547 26.824 3.415 344 HG2 LYS 43 1HG LYS 43 -22.914 25.418 6.020 345 HG3 LYS 43 2HG LYS 43 -22.777 27.193 6.069 346 HD2 LYS 43 1HD LYS 43 -24.555 27.241 4.239 347 HD3 LYS 43 2HD LYS 43 -24.807 25.513 4.572 348 HE2 LYS 43 1HE LYS 43 -25.087 26.238 7.035 349 HE3 LYS 43 2HE LYS 43 -25.285 27.881 6.379 350 HZ1 LYS 43 3HZ LYS 43 -26.938 25.543 5.670 351 HZ2 LYS 43 1HZ LYS 43 -27.399 26.777 6.665 352 HZ3 LYS 43 2HZ LYS 43 -27.122 27.064 5.065 353 H ASP 44 H ASP 44 -22.794 22.648 4.379 354 HA ASP 44 HA ASP 44 -24.436 21.273 3.468 355 HB2 ASP 44 1HB ASP 44 -25.835 23.975 3.000 356 HB3 ASP 44 2HB ASP 44 -26.444 22.312 2.802 357 H GLY 45 H GLY 45 -22.261 22.100 1.734 358 HA2 GLY 45 1HA GLY 45 -21.882 21.128 -0.416 359 HA3 GLY 45 2HA GLY 45 -23.613 21.318 -0.793 360 H LYS 46 H LYS 46 -22.707 24.120 0.681 361 HA LYS 46 HA LYS 46 -22.454 25.498 -1.950 362 HB2 LYS 46 1HB LYS 46 -22.983 26.556 0.833 363 HB3 LYS 46 2HB LYS 46 -22.935 27.524 -0.660 364 HG2 LYS 46 1HG LYS 46 -24.883 26.340 -1.527 365 HG3 LYS 46 2HG LYS 46 -24.909 25.287 -0.093 366 HD2 LYS 46 1HD LYS 46 -25.339 27.225 1.344 367 HD3 LYS 46 2HD LYS 46 -25.265 28.304 -0.069 368 HE2 LYS 46 1HE LYS 46 -27.179 27.046 -1.061 369 HE3 LYS 46 2HE LYS 46 -27.291 26.106 0.444 370 HZ1 LYS 46 3HZ LYS 46 -27.616 29.029 0.221 371 HZ2 LYS 46 1HZ LYS 46 -28.838 27.941 0.424 372 HZ3 LYS 46 2HZ LYS 46 -27.720 28.158 1.617 373 H GLN 47 H GLN 47 -20.424 25.456 -2.626 374 HA GLN 47 HA GLN 47 -18.097 25.447 -1.040 375 HB2 GLN 47 1HB GLN 47 -18.220 25.023 -3.482 376 HB3 GLN 47 2HB GLN 47 -18.477 26.765 -3.734 377 HG2 GLN 47 1HG GLN 47 -16.001 27.096 -2.667 378 HG3 GLN 47 2HG GLN 47 -16.251 25.337 -2.572 379 HE21 GLN 47 2HE2 GLN 47 -14.022 26.308 -3.817 380 HE22 GLN 47 1HE2 GLN 47 -14.140 26.070 -5.528 381 H ILE 48 H ILE 48 -17.029 26.809 0.154 382 HA ILE 48 HA ILE 48 -17.976 29.657 0.207 383 HB ILE 48 HB ILE 48 -16.364 28.025 2.227 384 HG12 ILE 48 1HG1 ILE 48 -19.149 29.130 2.456 385 HG13 ILE 48 2HG1 ILE 48 -18.760 27.456 1.991 386 HG21 ILE 48 1HG2 ILE 48 -16.612 30.002 3.689 387 HG22 ILE 48 2HG2 ILE 48 -15.713 30.409 2.209 388 HG23 ILE 48 3HG2 ILE 48 -17.422 30.877 2.369 389 HD11 ILE 48 3HD1 ILE 48 -18.027 28.788 4.623 390 HD12 ILE 48 1HD1 ILE 48 -19.334 27.605 4.383 391 HD13 ILE 48 2HD1 ILE 48 -17.638 27.115 4.159 392 H SER 49 H SER 49 -16.901 31.183 -0.664 393 HA SER 49 HA SER 49 -14.061 30.835 -1.492 394 HB2 SER 49 1HB SER 49 -15.479 31.818 -3.014 395 HB3 SER 49 2HB SER 49 -15.988 33.050 -1.837 396 HG SER 49 HG SER 49 -13.793 33.735 -1.774 397 HA PRO 50 HA PRO 50 -12.442 32.555 2.321 398 HB2 PRO 50 1HB PRO 50 -10.188 33.285 0.409 399 HB3 PRO 50 2HB PRO 50 -10.089 32.436 1.957 400 HG2 PRO 50 1HG PRO 50 -9.817 31.057 -0.309 401 HG3 PRO 50 2HG PRO 50 -10.753 30.364 1.022 402 HD2 PRO 50 1HD PRO 50 -11.764 31.683 -1.530 403 HD3 PRO 50 2HD PRO 50 -12.392 30.257 -0.695 404 H LYS 51 H LYS 51 -12.488 34.441 3.249 405 HA LYS 51 HA LYS 51 -12.882 36.720 3.502 406 HB2 LYS 51 1HB LYS 51 -11.407 36.834 0.864 407 HB3 LYS 51 2HB LYS 51 -11.763 38.221 1.921 408 HG2 LYS 51 1HG LYS 51 -10.372 37.225 3.695 409 HG3 LYS 51 2HG LYS 51 -10.010 35.844 2.632 410 HD2 LYS 51 1HD LYS 51 -8.954 37.369 1.011 411 HD3 LYS 51 2HD LYS 51 -9.313 38.748 2.076 412 HE2 LYS 51 1HE LYS 51 -7.901 37.810 3.823 413 HE3 LYS 51 2HE LYS 51 -7.596 36.365 2.833 414 HZ1 LYS 51 3HZ LYS 51 -6.787 39.117 2.143 415 HZ2 LYS 51 1HZ LYS 51 -5.783 37.932 2.699 416 HZ3 LYS 51 2HZ LYS 51 -6.505 37.776 1.225 417 H SER 52 H SER 52 -15.087 35.506 2.790 418 HA SER 52 HA SER 52 -16.312 36.889 0.428 419 HB2 SER 52 1HB SER 52 -16.616 34.528 0.803 420 HB3 SER 52 2HB SER 52 -17.548 34.935 2.262 421 HG SER 52 HG SER 52 -18.900 34.716 0.458 422 H ASP 53 H ASP 53 -18.890 37.056 1.359 423 HA ASP 53 HA ASP 53 -18.959 39.659 2.498 424 HB2 ASP 53 1HB ASP 53 -21.160 37.508 2.386 425 HB3 ASP 53 2HB ASP 53 -21.245 39.178 2.997 426 H HIS 54 H HIS 54 -19.415 36.489 4.055 427 HA HIS 54 HA HIS 54 -18.751 37.808 6.652 428 HB2 HIS 54 1HB HIS 54 -21.089 35.900 6.184 429 HB3 HIS 54 2HB HIS 54 -20.513 36.448 7.776 430 HD2 HIS 54 HD2 HIS 54 -23.036 37.591 5.032 431 HE1 HIS 54 HE1 HIS 54 -22.374 40.818 7.715 432 HE2 HIS 54 HE2 HIS 54 -23.830 39.853 5.751 433 H TYR 55 H TYR 55 -18.017 35.514 4.410 434 HA TYR 55 HA TYR 55 -17.142 33.509 6.458 435 HB2 TYR 55 1HB TYR 55 -17.667 33.253 3.493 436 HB3 TYR 55 2HB TYR 55 -16.977 31.971 4.520 437 HD1 TYR 55 HD1 TYR 55 -18.915 33.027 6.891 438 HD2 TYR 55 HD2 TYR 55 -19.489 31.609 2.910 439 HE1 TYR 55 HE1 TYR 55 -21.197 32.279 7.493 440 HE2 TYR 55 HE2 TYR 55 -21.769 30.854 3.495 441 HH TYR 55 HH TYR 55 -23.460 31.831 6.128 442 H THR 56 H THR 56 -15.226 34.311 7.114 443 HA THR 56 HA THR 56 -13.166 34.827 5.016 444 HB THR 56 HB THR 56 -13.117 35.348 8.023 445 HG1 THR 56 HG1 THR 56 -13.236 37.554 7.290 446 HG21 THR 56 1HG2 THR 56 -11.049 36.605 7.530 447 HG22 THR 56 2HG2 THR 56 -10.875 34.888 7.088 448 HG23 THR 56 3HG2 THR 56 -11.153 36.109 5.824 449 H ILE 57 H ILE 57 -11.714 33.410 4.495 450 HA ILE 57 HA ILE 57 -11.195 31.139 6.403 451 HB ILE 57 HB ILE 57 -11.083 31.193 3.349 452 HG12 ILE 57 1HG1 ILE 57 -12.885 29.640 5.187 453 HG13 ILE 57 2HG1 ILE 57 -13.332 31.133 4.331 454 HG21 ILE 57 1HG2 ILE 57 -10.535 28.791 3.547 455 HG22 ILE 57 2HG2 ILE 57 -9.297 29.796 4.334 456 HG23 ILE 57 3HG2 ILE 57 -10.507 28.943 5.320 457 HD11 ILE 57 3HD1 ILE 57 -12.505 28.516 3.028 458 HD12 ILE 57 1HD1 ILE 57 -14.164 29.143 3.141 459 HD13 ILE 57 2HD1 ILE 57 -12.950 30.010 2.171 460 H GLN 58 H GLN 58 -9.344 31.042 7.303 461 HA GLN 58 HA GLN 58 -7.023 32.324 5.918 462 HB2 GLN 58 1HB GLN 58 -7.393 31.382 8.767 463 HB3 GLN 58 2HB GLN 58 -5.897 32.074 8.097 464 HG2 GLN 58 1HG GLN 58 -8.536 33.740 8.495 465 HG3 GLN 58 2HG GLN 58 -7.006 33.520 9.377 466 HE21 GLN 58 2HE2 GLN 58 -8.647 35.352 7.089 467 HE22 GLN 58 1HE2 GLN 58 -7.294 36.154 6.362 468 H ARG 59 H ARG 59 -5.324 31.236 5.220 469 HA ARG 59 HA ARG 59 -5.483 28.251 5.489 470 HB2 ARG 59 1HB ARG 59 -4.646 29.878 3.132 471 HB3 ARG 59 2HB ARG 59 -4.428 28.121 3.306 472 HG2 ARG 59 1HG ARG 59 -6.819 27.777 3.379 473 HG3 ARG 59 2HG ARG 59 -7.109 29.534 3.385 474 HD2 ARG 59 1HD ARG 59 -6.263 29.716 1.158 475 HD3 ARG 59 2HD ARG 59 -5.843 27.988 1.146 476 HE ARG 59 HE ARG 59 -8.724 28.250 1.493 477 HH11 ARG 59 1HH1 ARG 59 -6.278 28.723 -0.947 478 HH12 ARG 59 2HH1 ARG 59 -7.452 28.369 -2.200 479 HH21 ARG 59 1HH2 ARG 59 -10.081 27.850 0.069 480 HH22 ARG 59 2HH2 ARG 59 -9.621 27.873 -1.622 481 H ASP 60 H ASP 60 -4.060 27.742 7.003 482 HA ASP 60 HA ASP 60 -1.302 28.829 6.821 483 HB2 ASP 60 1HB ASP 60 -2.454 28.421 9.109 484 HB3 ASP 60 2HB ASP 60 -2.460 26.733 8.543 485 H LEU 61 H LEU 61 0.246 27.962 5.695 486 HA LEU 61 HA LEU 61 -0.401 25.698 4.001 487 HB2 LEU 61 1HB LEU 61 2.051 27.232 4.552 488 HB3 LEU 61 2HB LEU 61 2.034 26.056 3.217 489 HG LEU 61 HG LEU 61 0.363 28.590 3.437 490 HD11 LEU 61 1HD1 LEU 61 1.682 29.304 1.425 491 HD12 LEU 61 2HD1 LEU 61 2.745 28.987 2.816 492 HD13 LEU 61 3HD1 LEU 61 2.604 27.785 1.510 493 HD21 LEU 61 3HD2 LEU 61 -0.905 26.810 2.387 494 HD22 LEU 61 1HD2 LEU 61 -0.448 28.029 1.171 495 HD23 LEU 61 2HD2 LEU 61 0.432 26.483 1.259 496 H ASP 62 H ASP 62 0.728 25.875 7.151 497 HA ASP 62 HA ASP 62 2.467 23.553 7.141 498 HB2 ASP 62 1HB ASP 62 0.903 24.917 9.415 499 HB3 ASP 62 2HB ASP 62 1.930 23.463 9.477 500 H GLY 63 H GLY 63 -0.910 23.959 6.832 501 HA2 GLY 63 1HA GLY 63 -2.033 21.869 6.024 502 HA3 GLY 63 2HA GLY 63 -1.277 21.040 7.405 503 H THR 64 H THR 64 -2.412 24.296 7.818 504 HA THR 64 HA THR 64 -4.840 23.275 9.252 505 HB THR 64 HB THR 64 -3.051 25.561 10.174 506 HG1 THR 64 HG1 THR 64 -2.074 23.474 10.451 507 HG21 THR 64 1HG2 THR 64 -4.421 25.426 12.226 508 HG22 THR 64 2HG2 THR 64 -5.432 25.773 10.802 509 HG23 THR 64 3HG2 THR 64 -5.397 24.133 11.490 510 H CYS 65 H CYS 65 -6.678 24.416 9.129 511 HA CYS 65 HA CYS 65 -6.661 27.013 7.576 512 HB2 CYS 65 1HB CYS 65 -6.989 24.897 6.180 513 HB3 CYS 65 2HB CYS 65 -8.482 24.619 7.109 514 HG CYS 65 HG CYS 65 -7.681 27.219 5.301 515 H SER 66 H SER 66 -8.122 28.463 8.312 516 HA SER 66 HA SER 66 -9.875 27.635 10.647 517 HB2 SER 66 1HB SER 66 -8.050 28.788 11.449 518 HB3 SER 66 2HB SER 66 -8.295 30.104 10.278 519 HG SER 66 HG SER 66 -9.193 30.567 12.333 520 H LEU 67 H LEU 67 -11.959 28.223 10.565 521 HA LEU 67 HA LEU 67 -12.814 30.042 8.336 522 HB2 LEU 67 1HB LEU 67 -13.505 27.892 7.997 523 HB3 LEU 67 2HB LEU 67 -14.254 27.646 9.591 524 HG LEU 67 HG LEU 67 -15.850 29.529 9.004 525 HD11 LEU 67 1HD1 LEU 67 -16.130 30.014 6.558 526 HD12 LEU 67 2HD1 LEU 67 -14.515 30.494 7.132 527 HD13 LEU 67 3HD1 LEU 67 -14.722 28.986 6.208 528 HD21 LEU 67 3HD2 LEU 67 -16.536 27.204 8.960 529 HD22 LEU 67 1HD2 LEU 67 -17.308 28.090 7.622 530 HD23 LEU 67 2HD2 LEU 67 -15.920 27.023 7.299 531 H HIS 68 H HIS 68 -13.573 31.915 8.864 532 HA HIS 68 HA HIS 68 -14.800 32.222 11.587 533 HB2 HIS 68 1HB HIS 68 -12.708 33.473 11.521 534 HB3 HIS 68 2HB HIS 68 -13.160 34.221 9.970 535 HD2 HIS 68 HD2 HIS 68 -14.262 36.776 10.323 536 HE1 HIS 68 HE1 HIS 68 -15.491 36.156 14.342 537 HE2 HIS 68 HE2 HIS 68 -15.309 37.839 12.331 538 H THR 69 H THR 69 -16.876 32.509 11.563 539 HA THR 69 HA THR 69 -18.120 33.936 9.252 540 HB THR 69 HB THR 69 -19.403 32.480 11.603 541 HG1 THR 69 HG1 THR 69 -19.933 30.956 9.923 542 HG21 THR 69 1HG2 THR 69 -21.490 32.734 10.306 543 HG22 THR 69 2HG2 THR 69 -20.797 34.320 10.721 544 HG23 THR 69 3HG2 THR 69 -20.611 33.671 9.076 545 H THR 70 H THR 70 -18.481 35.990 9.309 546 HA THR 70 HA THR 70 -17.846 37.568 11.635 547 HB THR 70 HB THR 70 -19.352 38.324 9.097 548 HG1 THR 70 HG1 THR 70 -17.264 39.189 8.549 549 HG21 THR 70 1HG2 THR 70 -18.771 40.644 9.714 550 HG22 THR 70 2HG2 THR 70 -19.800 39.889 10.956 551 HG23 THR 70 3HG2 THR 70 -18.050 40.060 11.232 552 H ALA 71 H ALA 71 -20.941 36.599 10.173 553 HA ALA 71 HA ALA 71 -22.257 37.220 12.751 554 HB1 ALA 71 3HB ALA 71 -23.146 38.412 10.103 555 HB2 ALA 71 1HB ALA 71 -24.037 38.513 11.640 556 HB3 ALA 71 2HB ALA 71 -22.454 39.306 11.472 557 H SER 72 H SER 72 -22.543 35.026 13.021 558 HA SER 72 HA SER 72 -23.748 33.296 10.972 559 HB2 SER 72 1HB SER 72 -22.188 32.448 12.484 560 HB3 SER 72 2HB SER 72 -23.251 32.849 13.852 561 HG SER 72 HG SER 72 -23.871 31.098 11.707 562 H THR 73 H THR 73 -25.811 33.791 10.372 563 HA THR 73 HA THR 73 -27.812 34.269 12.549 564 HB THR 73 HB THR 73 -29.248 35.249 10.850 565 HG1 THR 73 HG1 THR 73 -27.161 34.497 9.045 566 HG21 THR 73 1HG2 THR 73 -27.885 37.197 10.181 567 HG22 THR 73 2HG2 THR 73 -27.555 36.734 11.867 568 HG23 THR 73 3HG2 THR 73 -26.402 36.299 10.584 569 H LEU 74 H LEU 74 -30.110 33.598 11.633 570 HA LEU 74 HA LEU 74 -30.114 30.739 11.833 571 HB2 LEU 74 1HB LEU 74 -32.084 32.725 10.923 572 HB3 LEU 74 2HB LEU 74 -32.601 31.042 11.167 573 HG LEU 74 HG LEU 74 -31.528 32.926 13.303 574 HD11 LEU 74 1HD1 LEU 74 -33.855 32.782 14.233 575 HD12 LEU 74 2HD1 LEU 74 -33.857 33.461 12.588 576 HD13 LEU 74 3HD1 LEU 74 -34.326 31.764 12.852 577 HD21 LEU 74 3HD2 LEU 74 -30.862 30.633 13.721 578 HD22 LEU 74 1HD2 LEU 74 -32.108 31.125 14.892 579 HD23 LEU 74 2HD2 LEU 74 -32.541 30.078 13.520 580 H ASP 75 H ASP 75 -29.988 32.891 9.090 581 HA ASP 75 HA ASP 75 -30.549 30.773 7.142 582 HB2 ASP 75 1HB ASP 75 -29.385 33.599 6.790 583 HB3 ASP 75 2HB ASP 75 -29.659 32.325 5.575 584 H ASP 76 H ASP 76 -27.839 31.750 8.998 585 HA ASP 76 HA ASP 76 -25.937 30.413 7.141 586 HB2 ASP 76 1HB ASP 76 -25.372 31.858 9.797 587 HB3 ASP 76 2HB ASP 76 -24.287 31.074 8.626 588 H ASP 77 H ASP 77 -27.884 29.710 9.854 589 HA ASP 77 HA ASP 77 -26.391 27.634 11.098 590 HB2 ASP 77 1HB ASP 77 -28.681 28.563 11.887 591 HB3 ASP 77 2HB ASP 77 -29.270 27.675 10.462 592 H GLY 78 H GLY 78 -25.687 25.745 10.518 593 HA2 GLY 78 1HA GLY 78 -26.914 23.762 9.066 594 HA3 GLY 78 2HA GLY 78 -26.196 24.793 7.804 595 H ASN 79 H ASN 79 -24.939 22.843 7.300 596 HA ASN 79 HA ASN 79 -22.821 22.205 9.323 597 HB2 ASN 79 1HB ASN 79 -23.600 20.349 6.960 598 HB3 ASN 79 2HB ASN 79 -22.450 20.368 8.320 599 HD21 ASN 79 2HD2 ASN 79 -25.544 19.532 7.259 600 HD22 ASN 79 1HD2 ASN 79 -26.224 19.076 8.786 601 H TYR 80 H TYR 80 -21.089 23.379 9.051 602 HA TYR 80 HA TYR 80 -20.190 24.148 6.345 603 HB2 TYR 80 1HB TYR 80 -19.049 24.606 9.108 604 HB3 TYR 80 2HB TYR 80 -18.322 25.206 7.596 605 HD1 TYR 80 HD1 TYR 80 -21.442 25.383 9.649 606 HD2 TYR 80 HD2 TYR 80 -19.012 27.265 6.692 607 HE1 TYR 80 HE1 TYR 80 -22.878 27.399 9.763 608 HE2 TYR 80 HE2 TYR 80 -20.433 29.284 6.793 609 HH TYR 80 HH TYR 80 -23.462 29.375 8.474 610 H THR 81 H THR 81 -20.023 21.863 5.680 611 HA THR 81 HA THR 81 -18.149 20.097 6.975 612 HB THR 81 HB THR 81 -19.191 20.031 4.113 613 HG1 THR 81 HG1 THR 81 -20.704 18.530 5.049 614 HG21 THR 81 1HG2 THR 81 -18.638 17.627 4.235 615 HG22 THR 81 2HG2 THR 81 -17.186 18.630 4.470 616 HG23 THR 81 3HG2 THR 81 -17.973 17.862 5.869 617 H ILE 82 H ILE 82 -16.067 19.747 6.779 618 HA ILE 82 HA ILE 82 -14.574 21.399 4.758 619 HB ILE 82 HB ILE 82 -13.776 22.033 6.916 620 HG12 ILE 82 1HG1 ILE 82 -11.992 19.808 5.961 621 HG13 ILE 82 2HG1 ILE 82 -12.053 21.457 5.296 622 HG21 ILE 82 1HG2 ILE 82 -13.197 20.395 8.673 623 HG22 ILE 82 2HG2 ILE 82 -14.908 20.256 8.209 624 HG23 ILE 82 3HG2 ILE 82 -13.725 19.068 7.612 625 HD11 ILE 82 3HD1 ILE 82 -11.269 20.712 8.136 626 HD12 ILE 82 1HD1 ILE 82 -10.150 21.189 6.838 627 HD13 ILE 82 2HD1 ILE 82 -11.331 22.361 7.472 628 H MET 83 H MET 83 -13.192 20.576 3.379 629 HA MET 83 HA MET 83 -12.819 17.599 3.449 630 HB2 MET 83 1HB MET 83 -14.502 18.260 1.780 631 HB3 MET 83 2HB MET 83 -13.306 19.345 1.030 632 HG2 MET 83 1HG MET 83 -11.884 17.416 0.500 633 HG3 MET 83 2HG MET 83 -13.072 16.328 1.257 634 HE1 MET 83 3HE MET 83 -15.857 17.306 0.371 635 HE2 MET 83 1HE MET 83 -16.093 16.443 -1.168 636 HE3 MET 83 2HE MET 83 -15.323 15.615 0.209 637 H ALA 84 H ALA 84 -10.823 16.994 3.555 638 HA ALA 84 HA ALA 84 -8.725 18.907 2.629 639 HB1 ALA 84 3HB ALA 84 -8.532 16.573 4.566 640 HB2 ALA 84 1HB ALA 84 -7.193 17.650 4.095 641 HB3 ALA 84 2HB ALA 84 -8.581 18.299 5.004 642 H ALA 85 H ALA 85 -8.574 18.469 0.490 643 HA ALA 85 HA ALA 85 -8.232 15.612 -0.289 644 HB1 ALA 85 3HB ALA 85 -8.930 18.042 -1.970 645 HB2 ALA 85 1HB ALA 85 -8.789 16.372 -2.566 646 HB3 ALA 85 2HB ALA 85 -10.067 16.797 -1.404 647 H ASN 86 H ASN 86 -6.344 14.846 -0.875 648 HA ASN 86 HA ASN 86 -4.463 16.654 -2.311 649 HB2 ASN 86 1HB ASN 86 -2.583 16.286 -0.771 650 HB3 ASN 86 2HB ASN 86 -4.157 16.387 0.057 651 HD21 ASN 86 2HD2 ASN 86 -1.954 15.285 1.264 652 HD22 ASN 86 1HD2 ASN 86 -2.198 13.582 1.469 653 HA PRO 87 HA PRO 87 -3.493 13.528 -5.071 654 HB2 PRO 87 1HB PRO 87 -0.698 13.134 -3.908 655 HB3 PRO 87 2HB PRO 87 -1.157 13.486 -5.580 656 HG2 PRO 87 1HG PRO 87 -0.130 15.430 -4.078 657 HG3 PRO 87 2HG PRO 87 -1.494 15.793 -5.144 658 HD2 PRO 87 1HD PRO 87 -1.492 15.379 -2.129 659 HD3 PRO 87 2HD PRO 87 -2.427 16.532 -3.092 660 H GLN 88 H GLN 88 -2.877 12.778 -1.735 661 HA GLN 88 HA GLN 88 -2.582 9.889 -2.357 662 HB2 GLN 88 1HB GLN 88 -2.488 11.377 0.275 663 HB3 GLN 88 2HB GLN 88 -2.101 9.659 0.018 664 HG2 GLN 88 1HG GLN 88 -0.293 12.037 -0.948 665 HG3 GLN 88 2HG GLN 88 -0.256 10.769 0.298 666 HE21 GLN 88 2HE2 GLN 88 0.789 11.640 -2.746 667 HE22 GLN 88 1HE2 GLN 88 1.181 10.072 -3.369 668 H GLY 89 H GLY 89 -5.081 12.006 -1.872 669 HA2 GLY 89 1HA GLY 89 -7.250 10.535 -2.021 670 HA3 GLY 89 2HA GLY 89 -6.741 10.026 -0.395 671 H ARG 90 H ARG 90 -8.965 10.938 0.041 672 HA ARG 90 HA ARG 90 -8.649 13.738 0.972 673 HB2 ARG 90 1HB ARG 90 -10.663 14.523 0.109 674 HB3 ARG 90 2HB ARG 90 -9.604 13.976 -1.211 675 HG2 ARG 90 1HG ARG 90 -10.923 11.915 -1.421 676 HG3 ARG 90 2HG ARG 90 -11.981 12.457 -0.096 677 HD2 ARG 90 1HD ARG 90 -12.638 14.377 -1.462 678 HD3 ARG 90 2HD ARG 90 -11.653 13.728 -2.794 679 HE ARG 90 HE ARG 90 -13.659 11.745 -2.087 680 HH11 ARG 90 1HH1 ARG 90 -13.467 14.909 -3.539 681 HH12 ARG 90 2HH1 ARG 90 -14.894 14.563 -4.496 682 HH21 ARG 90 1HH2 ARG 90 -15.298 11.336 -3.170 683 HH22 ARG 90 2HH2 ARG 90 -15.940 12.526 -4.286 684 H VAL 91 H VAL 91 -10.245 14.400 2.508 685 HA VAL 91 HA VAL 91 -11.974 12.315 3.708 686 HB VAL 91 HB VAL 91 -9.724 11.889 4.755 687 HG11 VAL 91 1HG1 VAL 91 -8.829 13.594 6.307 688 HG12 VAL 91 2HG1 VAL 91 -8.850 14.198 4.633 689 HG13 VAL 91 3HG1 VAL 91 -10.095 14.732 5.789 690 HG21 VAL 91 3HG2 VAL 91 -11.770 11.377 5.948 691 HG22 VAL 91 1HG2 VAL 91 -10.516 11.963 7.066 692 HG23 VAL 91 2HG2 VAL 91 -11.844 13.042 6.575 693 H SER 92 H SER 92 -13.612 13.051 4.871 694 HA SER 92 HA SER 92 -13.972 16.064 4.819 695 HB2 SER 92 1HB SER 92 -15.963 13.957 4.261 696 HB3 SER 92 2HB SER 92 -16.248 15.706 4.405 697 HG SER 92 HG SER 92 -14.528 14.438 2.537 698 H CYS 93 H CYS 93 -15.100 16.991 6.514 699 HA CYS 93 HA CYS 93 -16.108 15.246 8.753 700 HB2 CYS 93 1HB CYS 93 -13.725 15.762 9.154 701 HB3 CYS 93 2HB CYS 93 -14.051 17.495 8.910 702 HG CYS 93 HG CYS 93 -15.257 15.502 11.201 703 H THR 94 H THR 94 -17.850 16.112 9.775 704 HA THR 94 HA THR 94 -19.183 18.312 8.368 705 HB THR 94 HB THR 94 -20.058 16.723 10.815 706 HG1 THR 94 HG1 THR 94 -21.328 15.603 9.220 707 HG21 THR 94 1HG2 THR 94 -22.312 17.544 10.225 708 HG22 THR 94 2HG2 THR 94 -21.210 18.897 10.580 709 HG23 THR 94 3HG2 THR 94 -21.616 18.499 8.894 710 H GLY 95 H GLY 95 -19.201 20.357 8.830 711 HA2 GLY 95 1HA GLY 95 -18.106 21.225 11.456 712 HA3 GLY 95 2HA GLY 95 -18.277 22.235 10.002 713 H ARG 96 H ARG 96 -20.455 20.178 11.983 714 HA ARG 96 HA ARG 96 -22.823 21.626 11.471 715 HB2 ARG 96 1HB ARG 96 -22.771 19.434 12.453 716 HB3 ARG 96 2HB ARG 96 -22.131 20.129 13.960 717 HG2 ARG 96 1HG ARG 96 -24.169 21.400 14.291 718 HG3 ARG 96 2HG ARG 96 -24.804 20.849 12.722 719 HD2 ARG 96 1HD ARG 96 -24.814 18.558 13.575 720 HD3 ARG 96 2HD ARG 96 -24.281 19.174 15.156 721 HE ARG 96 HE ARG 96 -26.831 20.413 14.429 722 HH11 ARG 96 1HH1 ARG 96 -25.512 17.373 15.516 723 HH12 ARG 96 2HH1 ARG 96 -27.029 16.990 16.305 724 HH21 ARG 96 1HH2 ARG 96 -28.577 19.985 15.321 725 HH22 ARG 96 2HH2 ARG 96 -28.779 18.478 16.194 726 H LEU 97 H LEU 97 -23.193 23.687 11.697 727 HA LEU 97 HA LEU 97 -22.578 24.876 14.378 728 HB2 LEU 97 1HB LEU 97 -21.186 25.812 12.859 729 HB3 LEU 97 2HB LEU 97 -22.403 26.184 11.616 730 HG LEU 97 HG LEU 97 -23.483 27.755 13.263 731 HD11 LEU 97 1HD1 LEU 97 -22.074 28.523 15.191 732 HD12 LEU 97 2HD1 LEU 97 -22.474 26.795 15.331 733 HD13 LEU 97 3HD1 LEU 97 -20.859 27.292 14.773 734 HD21 LEU 97 3HD2 LEU 97 -22.074 28.583 11.473 735 HD22 LEU 97 1HD2 LEU 97 -21.834 29.566 12.936 736 HD23 LEU 97 2HD2 LEU 97 -20.619 28.350 12.471 737 H MET 98 H MET 98 -24.363 24.938 15.489 738 HA MET 98 HA MET 98 -26.931 25.512 14.073 739 HB2 MET 98 1HB MET 98 -26.345 24.585 16.888 740 HB3 MET 98 2HB MET 98 -27.962 24.840 16.189 741 HG2 MET 98 1HG MET 98 -25.918 22.817 15.222 742 HG3 MET 98 2HG MET 98 -27.317 22.451 16.259 743 HE1 MET 98 3HE MET 98 -29.659 24.147 15.122 744 HE2 MET 98 1HE MET 98 -30.353 23.049 13.905 745 HE3 MET 98 2HE MET 98 -29.793 22.405 15.467 746 H VAL 99 H VAL 99 -28.246 27.180 14.527 747 HA VAL 99 HA VAL 99 -27.015 29.384 16.181 748 HB VAL 99 HB VAL 99 -28.686 29.616 13.646 749 HG11 VAL 99 1HG1 VAL 99 -28.180 32.027 13.847 750 HG12 VAL 99 2HG1 VAL 99 -29.077 31.440 15.269 751 HG13 VAL 99 3HG1 VAL 99 -27.322 31.721 15.376 752 HG21 VAL 99 3HG2 VAL 99 -26.449 28.834 13.143 753 HG22 VAL 99 1HG2 VAL 99 -26.663 30.520 12.619 754 HG23 VAL 99 2HG2 VAL 99 -25.749 30.159 14.104 755 H GLN 100 H GLN 100 -28.072 30.142 17.786 756 HA GLN 100 HA GLN 100 -30.884 29.281 18.170 757 HB2 GLN 100 1HB GLN 100 -28.973 30.832 19.928 758 HB3 GLN 100 2HB GLN 100 -30.617 30.327 20.384 759 HG2 GLN 100 1HG GLN 100 -28.249 28.303 19.946 760 HG3 GLN 100 2HG GLN 100 -29.060 29.064 21.336 761 HE21 GLN 100 2HE2 GLN 100 -28.961 26.382 19.329 762 HE22 GLN 100 1HE2 GLN 100 -30.526 25.724 19.673 763 H ALA 101 H ALA 101 -32.588 30.441 17.777 764 HA ALA 101 HA ALA 101 -32.362 32.966 16.452 765 HB1 ALA 101 3HB ALA 101 -34.775 31.669 17.761 766 HB2 ALA 101 1HB ALA 101 -34.820 33.033 16.620 767 HB3 ALA 101 2HB ALA 101 -34.245 31.438 16.077 768 H VAL 102 H VAL 102 -32.461 35.014 17.084 769 HA VAL 102 HA VAL 102 -32.963 35.558 20.008 770 HB VAL 102 HB VAL 102 -31.031 36.984 18.132 771 HG11 VAL 102 1HG1 VAL 102 -30.391 38.240 20.163 772 HG12 VAL 102 2HG1 VAL 102 -32.110 38.484 19.774 773 HG13 VAL 102 3HG1 VAL 102 -31.643 37.380 21.090 774 HG21 VAL 102 3HG2 VAL 102 -30.172 34.813 18.781 775 HG22 VAL 102 1HG2 VAL 102 -29.272 36.118 19.589 776 HG23 VAL 102 2HG2 VAL 102 -30.484 35.182 20.495 777 H ASN 103 H ASN 103 -34.807 36.453 20.292 778 HA ASN 103 HA ASN 103 -36.220 37.777 18.126 779 HB2 ASN 103 1HB ASN 103 -37.052 37.640 21.120 780 HB3 ASN 103 2HB ASN 103 -37.697 38.416 19.653 781 HD21 ASN 103 2HD2 ASN 103 -38.723 36.265 21.438 782 HD22 ASN 103 1HD2 ASN 103 -39.100 34.946 20.380 783 H GLN 104 H GLN 104 -33.947 38.824 20.478 784 HA GLN 104 HA GLN 104 -34.832 41.644 20.326 785 HB2 GLN 104 1HB GLN 104 -32.427 40.360 21.643 786 HB3 GLN 104 2HB GLN 104 -32.928 42.059 21.807 787 HG2 GLN 104 1HG GLN 104 -34.486 39.640 23.067 788 HG3 GLN 104 2HG GLN 104 -33.435 40.962 23.624 789 HE21 GLN 104 2HE2 GLN 104 -36.587 39.964 23.266 790 HE22 GLN 104 1HE2 GLN 104 -37.380 41.504 23.289 791 H ARG 105 H ARG 105 -33.110 39.608 18.373 792 HA ARG 105 HA ARG 105 -30.940 41.370 17.584 793 HB2 ARG 105 1HB ARG 105 -30.792 39.022 17.245 794 HB3 ARG 105 2HB ARG 105 -32.186 39.071 16.143 795 HG2 ARG 105 1HG ARG 105 -30.162 38.940 14.835 796 HG3 ARG 105 2HG ARG 105 -30.886 40.553 14.629 797 HD2 ARG 105 1HD ARG 105 -28.547 40.784 14.802 798 HD3 ARG 105 2HD ARG 105 -29.288 41.411 16.292 799 HE ARG 105 HE ARG 105 -28.250 38.663 16.648 800 HH11 ARG 105 1HH1 ARG 105 -27.344 42.030 16.647 801 HH12 ARG 105 2HH1 ARG 105 -26.011 41.678 17.728 802 HH21 ARG 105 1HH2 ARG 105 -26.723 38.242 17.880 803 HH22 ARG 105 2HH2 ARG 105 -25.654 39.518 18.432 804 H GLY 106 H GLY 106 -31.248 43.309 16.820 805 HA2 GLY 106 1HA GLY 106 -33.697 44.110 15.525 806 HA3 GLY 106 2HA GLY 106 -32.207 45.074 15.669 807 H ARG 107 H ARG 107 -30.836 42.572 14.419 808 HA ARG 107 HA ARG 107 -31.175 43.518 11.624 809 HB2 ARG 107 1HB ARG 107 -29.144 41.706 12.852 810 HB3 ARG 107 2HB ARG 107 -29.237 42.154 11.132 811 HG2 ARG 107 1HG ARG 107 -28.883 44.510 11.722 812 HG3 ARG 107 2HG ARG 107 -28.804 44.071 13.445 813 HD2 ARG 107 1HD ARG 107 -26.824 42.735 12.993 814 HD3 ARG 107 2HD ARG 107 -26.893 43.236 11.286 815 HE ARG 107 HE ARG 107 -26.622 45.644 12.840 816 HH11 ARG 107 1HH1 ARG 107 -24.757 42.753 12.275 817 HH12 ARG 107 2HH1 ARG 107 -23.275 43.655 12.516 818 HH21 ARG 107 1HH2 ARG 107 -24.933 46.689 13.127 819 HH22 ARG 107 2HH2 ARG 107 -23.373 45.900 13.003 820 H SER 108 H SER 108 -32.643 41.288 13.536 821 HA SER 108 HA SER 108 -32.737 38.923 11.826 822 HB2 SER 108 1HB SER 108 -33.124 38.757 14.108 823 HB3 SER 108 2HB SER 108 -34.534 39.834 13.990 824 HG SER 108 HG SER 108 -35.104 37.616 13.947 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -3.692 7.649 -0.941 2 H2 GLY 1 2H GLY 1 -3.476 6.434 -0.090 3 H3 GLY 1 3H GLY 1 -2.305 7.270 -0.514 4 HA2 GLY 1 1HA GLY 1 -3.305 5.013 -1.915 5 HA3 GLY 1 2HA GLY 1 -3.562 6.455 -2.925 6 H GLY 2 H GLY 2 -1.509 3.952 -2.376 7 HA2 GLY 2 1HA GLY 2 0.497 3.626 -3.618 8 HA3 GLY 2 2HA GLY 2 0.718 5.393 -3.704 9 H SER 3 H SER 3 2.765 5.538 -2.904 10 HA SER 3 HA SER 3 3.132 4.951 0.030 11 HB2 SER 3 1HB SER 3 5.096 3.818 -0.217 12 HB3 SER 3 2HB SER 3 3.815 2.975 -1.120 13 HG SER 3 HG SER 3 5.781 3.113 -2.285 14 H ASN 4 H ASN 4 5.327 5.812 0.704 15 HA ASN 4 HA ASN 4 6.747 7.631 0.962 16 HB2 ASN 4 1HB ASN 4 6.533 8.039 -2.119 17 HB3 ASN 4 2HB ASN 4 7.417 8.799 -0.774 18 HD21 ASN 4 2HD2 ASN 4 8.175 7.169 -3.218 19 HD22 ASN 4 1HD2 ASN 4 9.245 5.957 -2.598 20 H ALA 5 H ALA 5 3.955 7.919 1.449 21 HA ALA 5 HA ALA 5 3.827 10.807 1.576 22 HB1 ALA 5 3HB ALA 5 1.882 9.390 -0.273 23 HB2 ALA 5 1HB ALA 5 1.784 11.091 0.233 24 HB3 ALA 5 2HB ALA 5 3.148 10.538 -0.765 25 H THR 6 H THR 6 1.676 11.549 2.467 26 HA THR 6 HA THR 6 0.568 9.433 4.281 27 HB THR 6 HB THR 6 1.134 12.341 4.981 28 HG1 THR 6 HG1 THR 6 2.655 11.345 6.432 29 HG21 THR 6 1HG2 THR 6 0.424 11.669 7.248 30 HG22 THR 6 2HG2 THR 6 -0.891 11.440 6.071 31 HG23 THR 6 3HG2 THR 6 0.043 10.039 6.646 32 H ALA 7 H ALA 7 -1.462 9.057 3.972 33 HA ALA 7 HA ALA 7 -3.110 10.719 2.315 34 HB1 ALA 7 3HB ALA 7 -3.887 8.523 4.262 35 HB2 ALA 7 1HB ALA 7 -4.940 9.222 3.010 36 HB3 ALA 7 2HB ALA 7 -3.488 8.305 2.543 37 HA PRO 8 HA PRO 8 -4.543 13.870 4.989 38 HB2 PRO 8 1HB PRO 8 -7.225 13.365 3.633 39 HB3 PRO 8 2HB PRO 8 -6.344 14.890 3.803 40 HG2 PRO 8 1HG PRO 8 -6.372 13.658 1.441 41 HG3 PRO 8 2HG PRO 8 -4.871 14.396 2.013 42 HD2 PRO 8 1HD PRO 8 -5.656 11.455 1.992 43 HD3 PRO 8 2HD PRO 8 -4.086 12.186 1.638 44 H PHE 9 H PHE 9 -5.001 13.779 7.001 45 HA PHE 9 HA PHE 9 -7.482 12.450 7.871 46 HB2 PHE 9 1HB PHE 9 -5.874 10.587 8.036 47 HB3 PHE 9 2HB PHE 9 -4.778 11.605 8.996 48 HD1 PHE 9 HD1 PHE 9 -8.093 9.964 8.972 49 HD2 PHE 9 HD2 PHE 9 -5.047 11.852 11.297 50 HE1 PHE 9 HE1 PHE 9 -9.209 9.208 11.044 51 HE2 PHE 9 HE2 PHE 9 -6.159 11.096 13.372 52 HZ PHE 9 HZ PHE 9 -8.242 9.774 13.244 53 H PHE 10 H PHE 10 -8.499 13.701 9.206 54 HA PHE 10 HA PHE 10 -7.260 16.164 10.114 55 HB2 PHE 10 1HB PHE 10 -9.969 14.877 10.633 56 HB3 PHE 10 2HB PHE 10 -9.489 16.447 11.317 57 HD1 PHE 10 HD2 PHE 10 -8.291 17.958 9.326 58 HD2 PHE 10 HD1 PHE 10 -11.401 15.060 8.897 59 HE1 PHE 10 HE2 PHE 10 -9.060 19.093 7.269 60 HE2 PHE 10 HE1 PHE 10 -12.172 16.191 6.838 61 HZ PHE 10 HZ PHE 10 -11.001 18.207 6.024 62 H GLU 11 H GLU 11 -5.529 15.677 11.402 63 HA GLU 11 HA GLU 11 -5.697 14.118 13.810 64 HB2 GLU 11 1HB GLU 11 -3.685 15.200 14.463 65 HB3 GLU 11 2HB GLU 11 -3.601 14.828 12.725 66 HG2 GLU 11 1HG GLU 11 -4.174 17.288 12.255 67 HG3 GLU 11 2HG GLU 11 -4.165 17.459 14.025 68 H MET 12 H MET 12 -6.875 17.271 12.998 69 HA MET 12 HA MET 12 -8.096 17.337 15.724 70 HB2 MET 12 1HB MET 12 -6.215 18.918 15.661 71 HB3 MET 12 2HB MET 12 -6.952 19.711 14.247 72 HG2 MET 12 1HG MET 12 -8.908 20.314 15.611 73 HG3 MET 12 2HG MET 12 -8.162 19.532 17.024 74 HE1 MET 12 3HE MET 12 -8.404 22.669 14.795 75 HE2 MET 12 1HE MET 12 -6.863 23.515 15.075 76 HE3 MET 12 2HE MET 12 -6.887 21.990 14.156 77 H LYS 13 H LYS 13 -10.110 16.812 15.277 78 HA LYS 13 HA LYS 13 -11.312 17.719 12.726 79 HB2 LYS 13 1HB LYS 13 -12.262 15.868 14.913 80 HB3 LYS 13 2HB LYS 13 -13.202 16.278 13.459 81 HG2 LYS 13 1HG LYS 13 -11.425 15.300 12.048 82 HG3 LYS 13 2HG LYS 13 -10.515 14.861 13.513 83 HD2 LYS 13 1HD LYS 13 -12.392 13.440 14.248 84 HD3 LYS 13 2HD LYS 13 -13.290 13.869 12.773 85 HE2 LYS 13 1HE LYS 13 -11.502 12.878 11.401 86 HE3 LYS 13 2HE LYS 13 -10.618 12.435 12.880 87 HZ1 LYS 13 3HZ LYS 13 -13.289 11.441 12.117 88 HZ2 LYS 13 1HZ LYS 13 -11.882 10.587 12.012 89 HZ3 LYS 13 2HZ LYS 13 -12.469 11.030 13.488 90 H LEU 14 H LEU 14 -13.593 18.430 12.729 91 HA LEU 14 HA LEU 14 -13.886 20.707 14.555 92 HB2 LEU 14 1HB LEU 14 -15.548 19.501 12.445 93 HB3 LEU 14 2HB LEU 14 -16.056 21.029 13.199 94 HG LEU 14 HG LEU 14 -13.532 20.580 11.560 95 HD11 LEU 14 1HD1 LEU 14 -14.634 22.119 9.915 96 HD12 LEU 14 2HD1 LEU 14 -15.607 20.654 10.182 97 HD13 LEU 14 3HD1 LEU 14 -16.071 22.185 10.963 98 HD21 LEU 14 3HD2 LEU 14 -13.169 22.193 13.333 99 HD22 LEU 14 1HD2 LEU 14 -13.214 23.022 11.758 100 HD23 LEU 14 2HD2 LEU 14 -14.621 23.099 12.846 101 H LYS 15 H LYS 15 -15.654 21.134 15.897 102 HA LYS 15 HA LYS 15 -17.012 18.656 16.905 103 HB2 LYS 15 1HB LYS 15 -16.290 21.198 18.373 104 HB3 LYS 15 2HB LYS 15 -17.189 19.818 19.049 105 HG2 LYS 15 1HG LYS 15 -15.203 18.377 18.682 106 HG3 LYS 15 2HG LYS 15 -14.308 19.797 18.088 107 HD2 LYS 15 1HD LYS 15 -14.612 20.904 20.263 108 HD3 LYS 15 2HD LYS 15 -15.519 19.493 20.857 109 HE2 LYS 15 1HE LYS 15 -13.536 18.077 20.522 110 HE3 LYS 15 2HE LYS 15 -12.628 19.491 19.936 111 HZ1 LYS 15 3HZ LYS 15 -13.767 19.185 22.641 112 HZ2 LYS 15 1HZ LYS 15 -12.170 19.037 22.248 113 HZ3 LYS 15 2HZ LYS 15 -12.925 20.496 22.097 114 H HIS 16 H HIS 16 -19.035 19.325 18.240 115 HA HIS 16 HA HIS 16 -20.856 20.724 16.441 116 HB2 HIS 16 1HB HIS 16 -21.587 18.798 17.873 117 HB3 HIS 16 2HB HIS 16 -21.311 19.805 19.315 118 HD1 HIS 16 HD1 HIS 16 -23.956 19.076 19.541 119 HD2 HIS 16 HD2 HIS 16 -23.035 22.081 16.733 120 HE1 HIS 16 HE1 HIS 16 -26.069 20.189 19.029 121 H TYR 17 H TYR 17 -20.859 22.807 16.178 122 HA TYR 17 HA TYR 17 -20.016 24.530 18.474 123 HB2 TYR 17 1HB TYR 17 -20.243 25.162 15.524 124 HB3 TYR 17 2HB TYR 17 -19.620 26.239 16.797 125 HD1 TYR 17 HD2 TYR 17 -17.594 25.254 18.181 126 HD2 TYR 17 HD1 TYR 17 -18.711 23.912 14.290 127 HE1 TYR 17 HE2 TYR 17 -15.321 24.341 17.856 128 HE2 TYR 17 HE1 TYR 17 -16.436 22.991 13.947 129 HH TYR 17 HH TYR 17 -13.880 23.320 16.410 130 H LYS 18 H LYS 18 -21.155 26.282 19.147 131 HA LYS 18 HA LYS 18 -23.861 26.686 17.939 132 HB2 LYS 18 1HB LYS 18 -23.210 26.348 20.871 133 HB3 LYS 18 2HB LYS 18 -24.747 26.990 20.243 134 HG2 LYS 18 1HG LYS 18 -25.108 24.833 19.047 135 HG3 LYS 18 2HG LYS 18 -23.627 24.201 19.807 136 HD2 LYS 18 1HD LYS 18 -24.621 24.575 22.036 137 HD3 LYS 18 2HD LYS 18 -26.106 25.180 21.264 138 HE2 LYS 18 1HE LYS 18 -26.420 23.003 20.161 139 HE3 LYS 18 2HE LYS 18 -24.941 22.397 20.942 140 HZ1 LYS 18 3HZ LYS 18 -27.376 23.294 22.346 141 HZ2 LYS 18 1HZ LYS 18 -26.914 21.725 22.134 142 HZ3 LYS 18 2HZ LYS 18 -26.004 22.733 23.070 143 H ILE 19 H ILE 19 -24.597 28.710 17.852 144 HA ILE 19 HA ILE 19 -23.185 30.885 19.280 145 HB ILE 19 HB ILE 19 -21.822 30.507 17.177 146 HG12 ILE 19 1HG1 ILE 19 -21.906 32.846 16.432 147 HG13 ILE 19 2HG1 ILE 19 -23.376 33.071 17.405 148 HG21 ILE 19 1HG2 ILE 19 -22.855 31.151 15.026 149 HG22 ILE 19 2HG2 ILE 19 -23.670 29.735 15.729 150 HG23 ILE 19 3HG2 ILE 19 -24.428 31.341 15.837 151 HD11 ILE 19 3HD1 ILE 19 -20.639 32.298 18.472 152 HD12 ILE 19 1HD1 ILE 19 -21.387 33.906 18.593 153 HD13 ILE 19 2HD1 ILE 19 -22.111 32.523 19.447 154 H PHE 20 H PHE 20 -24.234 32.798 19.388 155 HA PHE 20 HA PHE 20 -27.138 32.597 19.029 156 HB2 PHE 20 1HB PHE 20 -25.283 34.767 20.075 157 HB3 PHE 20 2HB PHE 20 -27.037 35.000 19.898 158 HD1 PHE 20 HD2 PHE 20 -28.516 33.161 21.026 159 HD2 PHE 20 HD1 PHE 20 -24.461 34.023 22.061 160 HE1 PHE 20 HE2 PHE 20 -28.877 32.166 23.260 161 HE2 PHE 20 HE1 PHE 20 -24.817 33.025 24.294 162 HZ PHE 20 HZ PHE 20 -27.025 32.097 24.894 163 H GLU 21 H GLU 21 -28.462 33.803 17.746 164 HA GLU 21 HA GLU 21 -27.599 34.092 15.056 165 HB2 GLU 21 1HB GLU 21 -29.935 33.796 15.816 166 HB3 GLU 21 2HB GLU 21 -29.913 35.468 16.431 167 HG2 GLU 21 1HG GLU 21 -29.526 36.274 14.035 168 HG3 GLU 21 2HG GLU 21 -29.580 34.549 13.607 169 H GLY 22 H GLY 22 -26.360 35.474 14.088 170 HA2 GLY 22 1HA GLY 22 -26.001 37.673 13.248 171 HA3 GLY 22 2HA GLY 22 -26.713 38.347 14.733 172 H MET 23 H MET 23 -24.853 36.051 15.972 173 HA MET 23 HA MET 23 -22.692 37.999 16.569 174 HB2 MET 23 1HB MET 23 -23.307 35.296 17.764 175 HB3 MET 23 2HB MET 23 -22.120 36.481 18.363 176 HG2 MET 23 1HG MET 23 -25.131 36.852 18.266 177 HG3 MET 23 2HG MET 23 -24.171 36.483 19.719 178 HE1 MET 23 3HE MET 23 -21.644 38.218 19.611 179 HE2 MET 23 1HE MET 23 -22.182 39.737 20.368 180 HE3 MET 23 2HE MET 23 -22.729 38.174 21.022 181 HA PRO 24 HA PRO 24 -19.672 35.899 14.184 182 HB2 PRO 24 1HB PRO 24 -17.385 36.711 15.469 183 HB3 PRO 24 2HB PRO 24 -18.357 37.881 14.564 184 HG2 PRO 24 1HG PRO 24 -18.312 37.344 17.551 185 HG3 PRO 24 2HG PRO 24 -18.300 38.894 16.702 186 HD2 PRO 24 1HD PRO 24 -20.613 37.835 17.751 187 HD3 PRO 24 2HD PRO 24 -20.632 38.845 16.300 188 H VAL 25 H VAL 25 -18.362 34.152 14.113 189 HA VAL 25 HA VAL 25 -17.642 32.726 16.606 190 HB VAL 25 HB VAL 25 -19.962 31.915 16.206 191 HG11 VAL 25 1HG1 VAL 25 -20.442 30.614 14.159 192 HG12 VAL 25 2HG1 VAL 25 -20.050 32.304 13.766 193 HG13 VAL 25 3HG1 VAL 25 -18.834 31.028 13.519 194 HG21 VAL 25 3HG2 VAL 25 -18.322 30.425 17.187 195 HG22 VAL 25 1HG2 VAL 25 -19.443 29.528 16.137 196 HG23 VAL 25 2HG2 VAL 25 -17.799 29.904 15.567 197 H THR 26 H THR 26 -15.860 31.647 16.474 198 HA THR 26 HA THR 26 -14.728 31.225 13.726 199 HB THR 26 HB THR 26 -13.201 31.911 16.272 200 HG1 THR 26 HG1 THR 26 -14.199 33.448 14.140 201 HG21 THR 26 1HG2 THR 26 -11.272 32.116 14.744 202 HG22 THR 26 2HG2 THR 26 -11.952 30.472 14.699 203 HG23 THR 26 3HG2 THR 26 -12.298 31.614 13.379 204 H PHE 27 H PHE 27 -14.020 29.304 13.189 205 HA PHE 27 HA PHE 27 -13.130 27.421 15.291 206 HB2 PHE 27 1HB PHE 27 -14.575 25.586 14.295 207 HB3 PHE 27 2HB PHE 27 -15.477 26.822 15.202 208 HD1 PHE 27 HD2 PHE 27 -16.846 28.466 14.037 209 HD2 PHE 27 HD1 PHE 27 -14.879 25.289 11.967 210 HE1 PHE 27 HE2 PHE 27 -18.322 28.825 12.087 211 HE2 PHE 27 HE1 PHE 27 -16.351 25.647 10.014 212 HZ PHE 27 HZ PHE 27 -18.073 27.416 10.074 213 H THR 28 H THR 28 -12.041 25.544 14.445 214 HA THR 28 HA THR 28 -10.892 25.930 11.739 215 HB THR 28 HB THR 28 -9.614 27.510 13.217 216 HG1 THR 28 HG1 THR 28 -7.559 26.609 12.602 217 HG21 THR 28 1HG2 THR 28 -8.116 26.550 14.932 218 HG22 THR 28 2HG2 THR 28 -9.825 26.246 15.331 219 HG23 THR 28 3HG2 THR 28 -8.824 24.942 14.649 220 H CYS 29 H CYS 29 -9.283 24.308 11.191 221 HA CYS 29 HA CYS 29 -9.502 21.739 12.754 222 HB2 CYS 29 1HB CYS 29 -11.449 22.093 11.164 223 HB3 CYS 29 2HB CYS 29 -10.267 22.120 9.833 224 HG CYS 29 HG CYS 29 -9.320 19.772 10.297 225 H ARG 30 H ARG 30 -7.847 20.311 12.323 226 HA ARG 30 HA ARG 30 -5.680 21.302 10.500 227 HB2 ARG 30 1HB ARG 30 -5.100 21.895 12.728 228 HB3 ARG 30 2HB ARG 30 -5.322 20.209 13.254 229 HG2 ARG 30 1HG ARG 30 -3.489 19.517 11.750 230 HG3 ARG 30 2HG ARG 30 -3.252 21.217 11.277 231 HD2 ARG 30 1HD ARG 30 -2.982 20.182 14.078 232 HD3 ARG 30 2HD ARG 30 -1.637 20.342 12.925 233 HE ARG 30 HE ARG 30 -2.677 22.969 13.151 234 HH11 ARG 30 1HH1 ARG 30 -1.540 20.621 15.464 235 HH12 ARG 30 2HH1 ARG 30 -0.992 21.913 16.514 236 HH21 ARG 30 1HH2 ARG 30 -2.062 24.460 14.347 237 HH22 ARG 30 2HH2 ARG 30 -1.290 24.102 15.878 238 H VAL 31 H VAL 31 -4.565 19.855 9.341 239 HA VAL 31 HA VAL 31 -5.480 16.991 9.530 240 HB VAL 31 HB VAL 31 -6.604 18.136 7.618 241 HG11 VAL 31 1HG1 VAL 31 -5.224 18.920 5.722 242 HG12 VAL 31 2HG1 VAL 31 -4.888 19.864 7.193 243 HG13 VAL 31 3HG1 VAL 31 -3.748 18.604 6.665 244 HG21 VAL 31 3HG2 VAL 31 -6.076 15.776 7.477 245 HG22 VAL 31 1HG2 VAL 31 -5.910 16.556 5.887 246 HG23 VAL 31 2HG2 VAL 31 -4.459 16.156 6.837 247 H ALA 32 H ALA 32 -4.038 15.491 9.541 248 HA ALA 32 HA ALA 32 -1.204 16.312 9.244 249 HB1 ALA 32 3HB ALA 32 -2.442 13.706 10.199 250 HB2 ALA 32 1HB ALA 32 -0.707 14.093 10.200 251 HB3 ALA 32 2HB ALA 32 -1.823 15.014 11.235 252 H GLY 33 H GLY 33 -1.799 16.646 6.881 253 HA2 GLY 33 1HA GLY 33 -1.674 14.051 5.399 254 HA3 GLY 33 2HA GLY 33 -2.326 15.575 4.753 255 H ASN 34 H ASN 34 -0.344 13.950 3.482 256 HA ASN 34 HA ASN 34 1.640 16.072 3.040 257 HB2 ASN 34 3HB ASN 34 2.568 14.612 4.980 258 HB3 ASN 34 2HB ASN 34 2.570 13.233 3.906 259 HD21 ASN 34 2HD2 ASN 34 4.821 14.154 5.246 260 HD22 ASN 34 1HD2 ASN 34 5.978 14.692 3.917 261 HA PRO 35 HA PRO 35 2.400 16.977 1.712 262 HB2 PRO 35 1HB PRO 35 0.958 17.909 -0.760 263 HB3 PRO 35 2HB PRO 35 2.658 18.147 -0.325 264 HG2 PRO 35 1HG PRO 35 1.989 16.438 -2.287 265 HG3 PRO 35 2HG PRO 35 3.312 16.050 -1.181 266 HD2 PRO 35 1HD PRO 35 0.427 15.040 -1.106 267 HD3 PRO 35 2HD PRO 35 1.922 14.110 -0.945 268 H LYS 36 H LYS 36 1.379 19.020 2.175 269 HA LYS 36 HA LYS 36 -0.983 18.585 3.722 270 HB2 LYS 36 1HB LYS 36 0.522 21.001 2.786 271 HB3 LYS 36 2HB LYS 36 -1.052 21.179 3.597 272 HG2 LYS 36 1HG LYS 36 0.802 21.439 5.188 273 HG3 LYS 36 2HG LYS 36 -0.187 20.009 5.569 274 HD2 LYS 36 1HD LYS 36 1.490 18.620 4.297 275 HD3 LYS 36 2HD LYS 36 2.512 20.073 4.181 276 HE2 LYS 36 1HE LYS 36 3.246 18.707 6.047 277 HE3 LYS 36 2HE LYS 36 2.545 20.227 6.646 278 HZ1 LYS 36 3HZ LYS 36 1.167 17.620 6.561 279 HZ2 LYS 36 1HZ LYS 36 1.783 18.336 7.914 280 HZ3 LYS 36 2HZ LYS 36 0.516 19.030 7.118 281 HA PRO 37 HA PRO 37 -3.880 18.494 0.383 282 HB2 PRO 37 1HB PRO 37 -5.799 18.528 2.740 283 HB3 PRO 37 2HB PRO 37 -5.738 17.393 1.386 284 HG2 PRO 37 1HG PRO 37 -4.864 16.624 3.790 285 HG3 PRO 37 2HG PRO 37 -3.974 16.135 2.339 286 HD2 PRO 37 1HD PRO 37 -3.275 18.289 4.364 287 HD3 PRO 37 2HD PRO 37 -2.198 17.205 3.478 288 H LYS 38 H LYS 38 -5.345 19.812 -0.576 289 HA LYS 38 HA LYS 38 -5.186 22.623 0.302 290 HB2 LYS 38 1HB LYS 38 -6.532 21.284 -2.050 291 HB3 LYS 38 2HB LYS 38 -6.489 23.039 -1.759 292 HG2 LYS 38 1HG LYS 38 -4.014 22.979 -1.900 293 HG3 LYS 38 2HG LYS 38 -4.096 21.239 -2.265 294 HD2 LYS 38 1HD LYS 38 -5.410 21.719 -4.288 295 HD3 LYS 38 2HD LYS 38 -5.340 23.460 -3.923 296 HE2 LYS 38 1HE LYS 38 -2.898 23.415 -4.111 297 HE3 LYS 38 2HE LYS 38 -2.947 21.669 -4.445 298 HZ1 LYS 38 3HZ LYS 38 -4.145 23.772 -6.133 299 HZ2 LYS 38 1HZ LYS 38 -2.751 22.956 -6.463 300 HZ3 LYS 38 2HZ LYS 38 -4.192 22.152 -6.443 301 H ILE 39 H ILE 39 -6.307 22.090 2.353 302 HA ILE 39 HA ILE 39 -8.908 21.132 2.639 303 HB ILE 39 HB ILE 39 -7.553 23.469 4.052 304 HG12 ILE 39 1HG1 ILE 39 -8.075 20.645 4.942 305 HG13 ILE 39 2HG1 ILE 39 -6.539 21.253 4.282 306 HG21 ILE 39 1HG2 ILE 39 -9.314 23.248 5.772 307 HG22 ILE 39 2HG2 ILE 39 -10.009 23.708 4.201 308 HG23 ILE 39 3HG2 ILE 39 -10.137 22.028 4.772 309 HD11 ILE 39 3HD1 ILE 39 -7.889 22.223 6.825 310 HD12 ILE 39 1HD1 ILE 39 -6.472 21.152 6.743 311 HD13 ILE 39 2HD1 ILE 39 -6.353 22.831 6.165 312 H TYR 40 H TYR 40 -10.771 21.502 1.845 313 HA TYR 40 HA TYR 40 -11.404 24.310 0.992 314 HB2 TYR 40 1HB TYR 40 -12.648 21.691 0.122 315 HB3 TYR 40 2HB TYR 40 -13.121 23.317 -0.428 316 HD1 TYR 40 HD2 TYR 40 -11.238 24.725 -1.568 317 HD2 TYR 40 HD1 TYR 40 -11.071 20.488 -1.117 318 HE1 TYR 40 HE2 TYR 40 -9.569 24.607 -3.386 319 HE2 TYR 40 HE1 TYR 40 -9.397 20.352 -2.938 320 HH TYR 40 HH TYR 40 -8.238 23.259 -4.651 321 H TRP 41 H TRP 41 -13.179 25.328 1.700 322 HA TRP 41 HA TRP 41 -14.849 23.863 3.718 323 HB2 TRP 41 1HB TRP 41 -14.259 26.830 3.363 324 HB3 TRP 41 2HB TRP 41 -15.521 26.196 4.447 325 HD1 TRP 41 HD1 TRP 41 -11.876 26.570 4.051 326 HE1 TRP 41 HE1 TRP 41 -10.642 26.017 6.391 327 HE3 TRP 41 HE3 TRP 41 -15.886 24.733 6.578 328 HZ2 TRP 41 HZ2 TRP 41 -11.422 24.966 8.825 329 HZ3 TRP 41 HZ3 TRP 41 -15.639 23.971 8.859 330 HH2 TRP 41 HH2 TRP 41 -13.474 24.062 10.019 331 H PHE 42 H PHE 42 -16.941 23.566 3.435 332 HA PHE 42 HA PHE 42 -18.452 25.406 1.695 333 HB2 PHE 42 1HB PHE 42 -19.504 23.505 0.434 334 HB3 PHE 42 2HB PHE 42 -17.782 23.727 0.050 335 HD1 PHE 42 HD2 PHE 42 -16.109 22.161 0.919 336 HD2 PHE 42 HD1 PHE 42 -20.303 21.528 1.432 337 HE1 PHE 42 HE2 PHE 42 -15.684 19.781 1.433 338 HE2 PHE 42 HE1 PHE 42 -19.881 19.148 1.949 339 HZ PHE 42 HZ PHE 42 -17.572 18.274 1.951 340 H LYS 43 H LYS 43 -20.628 25.484 2.091 341 HA LYS 43 HA LYS 43 -21.365 24.199 4.702 342 HB2 LYS 43 1HB LYS 43 -21.076 26.704 4.600 343 HB3 LYS 43 2HB LYS 43 -22.474 26.735 3.497 344 HG2 LYS 43 1HG LYS 43 -22.807 25.326 6.108 345 HG3 LYS 43 2HG LYS 43 -22.709 27.102 6.145 346 HD2 LYS 43 1HD LYS 43 -24.491 27.098 4.320 347 HD3 LYS 43 2HD LYS 43 -24.702 25.364 4.666 348 HE2 LYS 43 1HE LYS 43 -24.997 26.101 7.122 349 HE3 LYS 43 2HE LYS 43 -25.226 27.736 6.460 350 HZ1 LYS 43 3HZ LYS 43 -26.837 25.363 5.765 351 HZ2 LYS 43 1HZ LYS 43 -27.318 26.594 6.753 352 HZ3 LYS 43 2HZ LYS 43 -27.050 26.880 5.150 353 H ASP 44 H ASP 44 -22.655 22.560 4.480 354 HA ASP 44 HA ASP 44 -24.265 21.144 3.574 355 HB2 ASP 44 1HB ASP 44 -25.729 23.812 3.102 356 HB3 ASP 44 2HB ASP 44 -26.298 22.134 2.918 357 H GLY 45 H GLY 45 -22.114 22.026 1.829 358 HA2 GLY 45 1HA GLY 45 -21.721 21.062 -0.319 359 HA3 GLY 45 2HA GLY 45 -23.457 21.204 -0.691 360 H LYS 46 H LYS 46 -22.594 24.028 0.778 361 HA LYS 46 HA LYS 46 -22.402 25.411 -1.854 362 HB2 LYS 46 1HB LYS 46 -22.913 26.462 0.934 363 HB3 LYS 46 2HB LYS 46 -22.898 27.429 -0.561 364 HG2 LYS 46 1HG LYS 46 -24.836 26.204 -1.407 365 HG3 LYS 46 2HG LYS 46 -24.829 25.161 0.036 366 HD2 LYS 46 1HD LYS 46 -25.277 27.099 1.465 367 HD3 LYS 46 2HD LYS 46 -25.232 28.171 0.045 368 HE2 LYS 46 1HE LYS 46 -27.136 26.888 -0.923 369 HE3 LYS 46 2HE LYS 46 -27.217 25.942 0.581 370 HZ1 LYS 46 3HZ LYS 46 -27.593 28.860 0.370 371 HZ2 LYS 46 1HZ LYS 46 -28.796 27.751 0.581 372 HZ3 LYS 46 2HZ LYS 46 -27.669 27.982 1.764 373 H GLN 47 H GLN 47 -20.395 25.454 -2.573 374 HA GLN 47 HA GLN 47 -18.036 25.429 -1.031 375 HB2 GLN 47 1HB GLN 47 -18.203 25.059 -3.479 376 HB3 GLN 47 2HB GLN 47 -18.482 26.804 -3.687 377 HG2 GLN 47 1HG GLN 47 -15.989 27.136 -2.662 378 HG3 GLN 47 2HG GLN 47 -16.221 25.374 -2.597 379 HE21 GLN 47 2HE2 GLN 47 -14.026 26.398 -3.865 380 HE22 GLN 47 1HE2 GLN 47 -14.173 26.190 -5.579 381 H ILE 48 H ILE 48 -16.939 26.778 0.155 382 HA ILE 48 HA ILE 48 -17.900 29.621 0.275 383 HB ILE 48 HB ILE 48 -16.287 27.952 2.261 384 HG12 ILE 48 1HG1 ILE 48 -19.064 29.069 2.518 385 HG13 ILE 48 2HG1 ILE 48 -18.686 27.400 2.030 386 HG21 ILE 48 1HG2 ILE 48 -16.516 29.908 3.754 387 HG22 ILE 48 2HG2 ILE 48 -15.621 30.333 2.277 388 HG23 ILE 48 3HG2 ILE 48 -17.326 30.809 2.451 389 HD11 ILE 48 3HD1 ILE 48 -17.936 28.693 4.676 390 HD12 ILE 48 1HD1 ILE 48 -19.249 27.521 4.425 391 HD13 ILE 48 2HD1 ILE 48 -17.557 27.024 4.188 392 H SER 49 H SER 49 -16.823 31.164 -0.559 393 HA SER 49 HA SER 49 -14.001 30.801 -1.444 394 HB2 SER 49 1HB SER 49 -15.436 31.792 -2.944 395 HB3 SER 49 2HB SER 49 -15.921 33.025 -1.757 396 HG SER 49 HG SER 49 -13.722 33.700 -1.726 397 HA PRO 50 HA PRO 50 -12.287 32.514 2.323 398 HB2 PRO 50 1HB PRO 50 -10.107 33.325 0.362 399 HB3 PRO 50 2HB PRO 50 -9.947 32.449 1.891 400 HG2 PRO 50 1HG PRO 50 -9.714 31.118 -0.408 401 HG3 PRO 50 2HG PRO 50 -10.600 30.382 0.934 402 HD2 PRO 50 1HD PRO 50 -11.706 31.735 -1.562 403 HD3 PRO 50 2HD PRO 50 -12.282 30.277 -0.744 404 H LYS 51 H LYS 51 -12.434 34.364 3.287 405 HA LYS 51 HA LYS 51 -12.891 36.625 3.592 406 HB2 LYS 51 1HB LYS 51 -11.387 36.854 0.980 407 HB3 LYS 51 2HB LYS 51 -11.789 38.197 2.075 408 HG2 LYS 51 1HG LYS 51 -10.394 37.171 3.834 409 HG3 LYS 51 2HG LYS 51 -9.979 35.844 2.722 410 HD2 LYS 51 1HD LYS 51 -8.942 37.453 1.179 411 HD3 LYS 51 2HD LYS 51 -9.368 38.786 2.276 412 HE2 LYS 51 1HE LYS 51 -7.959 37.837 4.024 413 HE3 LYS 51 2HE LYS 51 -7.580 36.441 2.989 414 HZ1 LYS 51 3HZ LYS 51 -6.863 39.245 2.415 415 HZ2 LYS 51 1HZ LYS 51 -5.825 38.079 2.949 416 HZ3 LYS 51 2HZ LYS 51 -6.512 37.950 1.455 417 H SER 52 H SER 52 -15.073 35.435 2.880 418 HA SER 52 HA SER 52 -16.295 36.790 0.500 419 HB2 SER 52 1HB SER 52 -16.591 34.431 0.899 420 HB3 SER 52 2HB SER 52 -17.533 34.851 2.349 421 HG SER 52 HG SER 52 -18.875 34.607 0.541 422 H ASP 53 H ASP 53 -18.881 36.939 1.442 423 HA ASP 53 HA ASP 53 -18.981 39.553 2.544 424 HB2 ASP 53 1HB ASP 53 -21.147 37.364 2.494 425 HB3 ASP 53 2HB ASP 53 -21.252 39.042 3.081 426 H HIS 54 H HIS 54 -19.353 36.400 4.155 427 HA HIS 54 HA HIS 54 -18.677 37.769 6.719 428 HB2 HIS 54 1HB HIS 54 -20.991 35.819 6.318 429 HB3 HIS 54 2HB HIS 54 -20.399 36.400 7.893 430 HD2 HIS 54 HD2 HIS 54 -22.989 37.459 5.180 431 HE1 HIS 54 HE1 HIS 54 -22.322 40.744 7.791 432 HE2 HIS 54 HE2 HIS 54 -23.801 39.720 5.874 433 H TYR 55 H TYR 55 -17.938 35.455 4.503 434 HA TYR 55 HA TYR 55 -17.037 33.475 6.564 435 HB2 TYR 55 1HB TYR 55 -17.536 33.195 3.595 436 HB3 TYR 55 2HB TYR 55 -16.862 31.924 4.646 437 HD1 TYR 55 HD1 TYR 55 -18.819 32.980 6.986 438 HD2 TYR 55 HD2 TYR 55 -19.362 31.568 3.000 439 HE1 TYR 55 HE1 TYR 55 -21.111 32.240 7.566 440 HE2 TYR 55 HE2 TYR 55 -21.650 30.824 3.560 441 HH TYR 55 HH TYR 55 -23.376 31.809 6.129 442 H THR 56 H THR 56 -15.131 34.307 7.220 443 HA THR 56 HA THR 56 -13.076 34.847 5.122 444 HB THR 56 HB THR 56 -13.040 35.384 8.124 445 HG1 THR 56 HG1 THR 56 -13.208 37.583 7.384 446 HG21 THR 56 1HG2 THR 56 -11.000 36.683 7.625 447 HG22 THR 56 2HG2 THR 56 -10.790 34.970 7.190 448 HG23 THR 56 3HG2 THR 56 -11.095 36.179 5.922 449 H ILE 57 H ILE 57 -11.586 33.462 4.618 450 HA ILE 57 HA ILE 57 -11.124 31.145 6.483 451 HB ILE 57 HB ILE 57 -10.865 31.313 3.444 452 HG12 ILE 57 1HG1 ILE 57 -12.741 29.687 5.140 453 HG13 ILE 57 2HG1 ILE 57 -13.156 31.205 4.311 454 HG21 ILE 57 1HG2 ILE 57 -10.311 28.908 3.577 455 HG22 ILE 57 2HG2 ILE 57 -9.117 29.889 4.457 456 HG23 ILE 57 3HG2 ILE 57 -10.365 28.994 5.354 457 HD11 ILE 57 3HD1 ILE 57 -12.251 28.635 2.966 458 HD12 ILE 57 1HD1 ILE 57 -13.918 29.250 3.021 459 HD13 ILE 57 2HD1 ILE 57 -12.665 30.154 2.137 460 H GLN 58 H GLN 58 -9.319 31.018 7.470 461 HA GLN 58 HA GLN 58 -6.923 32.302 6.221 462 HB2 GLN 58 1HB GLN 58 -7.401 31.265 9.020 463 HB3 GLN 58 2HB GLN 58 -5.887 31.987 8.426 464 HG2 GLN 58 1HG GLN 58 -8.546 33.627 8.804 465 HG3 GLN 58 2HG GLN 58 -7.038 33.382 9.718 466 HE21 GLN 58 2HE2 GLN 58 -8.626 35.298 7.469 467 HE22 GLN 58 1HE2 GLN 58 -7.259 36.127 6.802 468 H ARG 59 H ARG 59 -5.146 31.213 5.666 469 HA ARG 59 HA ARG 59 -5.406 28.223 5.744 470 HB2 ARG 59 1HB ARG 59 -4.422 29.878 3.458 471 HB3 ARG 59 2HB ARG 59 -4.436 28.103 3.569 472 HG2 ARG 59 1HG ARG 59 -6.754 27.976 3.362 473 HG3 ARG 59 2HG ARG 59 -6.989 29.669 3.859 474 HD2 ARG 59 1HD ARG 59 -7.495 29.543 1.587 475 HD3 ARG 59 2HD ARG 59 -5.905 30.331 1.717 476 HE ARG 59 HE ARG 59 -5.582 27.482 1.078 477 HH11 ARG 59 1HH1 ARG 59 -6.456 30.532 -0.369 478 HH12 ARG 59 2HH1 ARG 59 -5.881 29.965 -1.926 479 HH21 ARG 59 1HH2 ARG 59 -4.927 26.815 -0.698 480 HH22 ARG 59 2HH2 ARG 59 -5.009 27.845 -2.114 481 H ASP 60 H ASP 60 -4.044 27.836 7.407 482 HA ASP 60 HA ASP 60 -1.260 28.808 7.253 483 HB2 ASP 60 1HB ASP 60 -2.472 28.400 9.505 484 HB3 ASP 60 2HB ASP 60 -2.497 26.717 8.923 485 H LEU 61 H LEU 61 0.309 27.922 6.170 486 HA LEU 61 HA LEU 61 -0.345 25.676 4.439 487 HB2 LEU 61 1HB LEU 61 2.118 27.187 5.026 488 HB3 LEU 61 2HB LEU 61 2.101 26.025 3.681 489 HG LEU 61 HG LEU 61 0.455 28.574 3.909 490 HD11 LEU 61 1HD1 LEU 61 1.797 29.291 1.913 491 HD12 LEU 61 2HD1 LEU 61 2.846 28.950 3.310 492 HD13 LEU 61 3HD1 LEU 61 2.702 27.761 1.993 493 HD21 LEU 61 3HD2 LEU 61 -0.824 26.818 2.833 494 HD22 LEU 61 1HD2 LEU 61 -0.345 28.042 1.633 495 HD23 LEU 61 2HD2 LEU 61 0.518 26.486 1.714 496 H ASP 62 H ASP 62 0.733 25.822 7.604 497 HA ASP 62 HA ASP 62 2.456 23.486 7.608 498 HB2 ASP 62 1HB ASP 62 0.857 24.844 9.859 499 HB3 ASP 62 2HB ASP 62 1.866 23.378 9.930 500 H GLY 63 H GLY 63 -0.910 23.919 7.222 501 HA2 GLY 63 1HA GLY 63 -2.022 21.843 6.366 502 HA3 GLY 63 2HA GLY 63 -1.311 21.000 7.760 503 H THR 64 H THR 64 -2.445 24.262 8.150 504 HA THR 64 HA THR 64 -4.925 23.248 9.498 505 HB THR 64 HB THR 64 -3.138 25.503 10.501 506 HG1 THR 64 HG1 THR 64 -2.241 23.371 10.802 507 HG21 THR 64 1HG2 THR 64 -4.596 25.400 12.492 508 HG22 THR 64 2HG2 THR 64 -5.538 25.772 11.027 509 HG23 THR 64 3HG2 THR 64 -5.571 24.132 11.712 510 H CYS 65 H CYS 65 -6.757 24.341 9.231 511 HA CYS 65 HA CYS 65 -6.673 26.992 7.774 512 HB2 CYS 65 1HB CYS 65 -6.894 24.871 6.328 513 HB3 CYS 65 2HB CYS 65 -8.474 24.637 7.113 514 HG CYS 65 HG CYS 65 -7.405 27.189 5.376 515 H SER 66 H SER 66 -8.243 28.389 8.405 516 HA SER 66 HA SER 66 -10.135 27.475 10.598 517 HB2 SER 66 1HB SER 66 -8.340 28.545 11.587 518 HB3 SER 66 2HB SER 66 -8.504 29.940 10.496 519 HG SER 66 HG SER 66 -9.528 30.269 12.518 520 H LEU 67 H LEU 67 -12.199 28.081 10.357 521 HA LEU 67 HA LEU 67 -12.837 30.135 8.265 522 HB2 LEU 67 1HB LEU 67 -13.573 28.059 7.671 523 HB3 LEU 67 2HB LEU 67 -14.426 27.684 9.186 524 HG LEU 67 HG LEU 67 -15.955 29.627 8.710 525 HD11 LEU 67 1HD1 LEU 67 -16.037 30.455 6.343 526 HD12 LEU 67 2HD1 LEU 67 -14.469 30.818 7.101 527 HD13 LEU 67 3HD1 LEU 67 -14.614 29.458 5.962 528 HD21 LEU 67 3HD2 LEU 67 -16.655 27.345 8.287 529 HD22 LEU 67 1HD2 LEU 67 -17.311 28.423 7.032 530 HD23 LEU 67 2HD2 LEU 67 -15.910 27.385 6.671 531 H HIS 68 H HIS 68 -13.459 31.998 8.977 532 HA HIS 68 HA HIS 68 -14.864 32.104 11.623 533 HB2 HIS 68 1HB HIS 68 -12.846 33.415 11.742 534 HB3 HIS 68 2HB HIS 68 -13.167 34.168 10.161 535 HD2 HIS 68 HD2 HIS 68 -14.301 36.718 10.427 536 HE1 HIS 68 HE1 HIS 68 -15.868 36.079 14.325 537 HE2 HIS 68 HE2 HIS 68 -15.518 37.771 12.344 538 H THR 69 H THR 69 -16.904 32.592 11.701 539 HA THR 69 HA THR 69 -18.133 33.965 9.338 540 HB THR 69 HB THR 69 -19.459 32.491 11.654 541 HG1 THR 69 HG1 THR 69 -19.942 30.971 9.947 542 HG21 THR 69 1HG2 THR 69 -21.513 32.730 10.304 543 HG22 THR 69 2HG2 THR 69 -20.843 34.321 10.736 544 HG23 THR 69 3HG2 THR 69 -20.610 33.673 9.096 545 H THR 70 H THR 70 -18.469 36.023 9.409 546 HA THR 70 HA THR 70 -17.923 37.557 11.797 547 HB THR 70 HB THR 70 -19.260 38.381 9.184 548 HG1 THR 70 HG1 THR 70 -17.126 39.215 8.777 549 HG21 THR 70 1HG2 THR 70 -18.674 40.680 9.875 550 HG22 THR 70 2HG2 THR 70 -19.789 39.926 11.040 551 HG23 THR 70 3HG2 THR 70 -18.057 40.058 11.423 552 H ALA 71 H ALA 71 -20.930 36.609 10.160 553 HA ALA 71 HA ALA 71 -22.391 37.293 12.647 554 HB1 ALA 71 3HB ALA 71 -23.146 38.363 9.907 555 HB2 ALA 71 1HB ALA 71 -24.120 38.514 11.388 556 HB3 ALA 71 2HB ALA 71 -22.539 39.321 11.274 557 H SER 72 H SER 72 -22.599 35.074 12.951 558 HA SER 72 HA SER 72 -23.745 33.297 10.896 559 HB2 SER 72 1HB SER 72 -22.142 32.511 12.415 560 HB3 SER 72 2HB SER 72 -23.231 32.861 13.778 561 HG SER 72 HG SER 72 -23.766 31.099 11.618 562 H THR 73 H THR 73 -25.821 33.759 10.311 563 HA THR 73 HA THR 73 -27.821 34.192 12.496 564 HB THR 73 HB THR 73 -29.304 35.086 10.785 565 HG1 THR 73 HG1 THR 73 -27.207 34.356 8.984 566 HG21 THR 73 1HG2 THR 73 -28.009 37.061 10.063 567 HG22 THR 73 2HG2 THR 73 -27.652 36.648 11.758 568 HG23 THR 73 3HG2 THR 73 -26.495 36.222 10.475 569 H LEU 74 H LEU 74 -30.100 33.418 11.662 570 HA LEU 74 HA LEU 74 -30.001 30.562 11.875 571 HB2 LEU 74 1HB LEU 74 -32.057 32.484 11.019 572 HB3 LEU 74 2HB LEU 74 -32.516 30.785 11.271 573 HG LEU 74 HG LEU 74 -31.451 32.700 13.383 574 HD11 LEU 74 1HD1 LEU 74 -33.742 32.466 14.376 575 HD12 LEU 74 2HD1 LEU 74 -33.817 33.147 12.734 576 HD13 LEU 74 3HD1 LEU 74 -34.215 31.434 13.006 577 HD21 LEU 74 3HD2 LEU 74 -30.687 30.434 13.776 578 HD22 LEU 74 1HD2 LEU 74 -31.917 30.877 14.982 579 HD23 LEU 74 2HD2 LEU 74 -32.348 29.815 13.621 580 H ASP 75 H ASP 75 -30.012 32.701 9.121 581 HA ASP 75 HA ASP 75 -30.531 30.560 7.190 582 HB2 ASP 75 1HB ASP 75 -29.430 33.409 6.819 583 HB3 ASP 75 2HB ASP 75 -29.688 32.126 5.611 584 H ASP 76 H ASP 76 -27.813 31.647 8.992 585 HA ASP 76 HA ASP 76 -25.912 30.291 7.148 586 HB2 ASP 76 1HB ASP 76 -25.346 31.800 9.772 587 HB3 ASP 76 2HB ASP 76 -24.257 31.005 8.606 588 H ASP 77 H ASP 77 -27.782 29.650 9.952 589 HA ASP 77 HA ASP 77 -26.270 27.592 11.185 590 HB2 ASP 77 1HB ASP 77 -28.561 28.524 11.985 591 HB3 ASP 77 2HB ASP 77 -29.158 27.592 10.592 592 H GLY 78 H GLY 78 -25.581 25.687 10.635 593 HA2 GLY 78 1HA GLY 78 -26.819 23.681 9.231 594 HA3 GLY 78 2HA GLY 78 -26.119 24.689 7.944 595 H ASN 79 H ASN 79 -24.859 22.746 7.450 596 HA ASN 79 HA ASN 79 -22.715 22.141 9.452 597 HB2 ASN 79 1HB ASN 79 -23.510 20.258 7.113 598 HB3 ASN 79 2HB ASN 79 -22.340 20.298 8.456 599 HD21 ASN 79 2HD2 ASN 79 -25.440 19.425 7.451 600 HD22 ASN 79 1HD2 ASN 79 -26.093 18.975 8.993 601 H TYR 80 H TYR 80 -21.003 23.339 9.153 602 HA TYR 80 HA TYR 80 -20.128 24.075 6.429 603 HB2 TYR 80 1HB TYR 80 -18.971 24.577 9.179 604 HB3 TYR 80 2HB TYR 80 -18.256 25.162 7.653 605 HD1 TYR 80 HD1 TYR 80 -21.370 25.344 9.718 606 HD2 TYR 80 HD2 TYR 80 -18.959 27.205 6.731 607 HE1 TYR 80 HE1 TYR 80 -22.815 27.351 9.813 608 HE2 TYR 80 HE2 TYR 80 -20.394 29.217 6.815 609 HH TYR 80 HH TYR 80 -23.416 29.311 8.520 610 H THR 81 H THR 81 -19.950 21.780 5.797 611 HA THR 81 HA THR 81 -18.072 20.035 7.107 612 HB THR 81 HB THR 81 -19.106 19.942 4.244 613 HG1 THR 81 HG1 THR 81 -20.612 18.443 5.188 614 HG21 THR 81 1HG2 THR 81 -18.540 17.543 4.384 615 HG22 THR 81 2HG2 THR 81 -17.094 18.556 4.615 616 HG23 THR 81 3HG2 THR 81 -17.880 17.794 6.018 617 H ILE 82 H ILE 82 -15.988 19.720 6.953 618 HA ILE 82 HA ILE 82 -14.486 21.341 4.914 619 HB ILE 82 HB ILE 82 -13.837 21.949 7.195 620 HG12 ILE 82 1HG1 ILE 82 -11.823 20.121 5.912 621 HG13 ILE 82 2HG1 ILE 82 -12.114 21.830 5.514 622 HG21 ILE 82 1HG2 ILE 82 -12.955 20.253 8.762 623 HG22 ILE 82 2HG2 ILE 82 -14.648 19.914 8.338 624 HG23 ILE 82 3HG2 ILE 82 -13.338 18.971 7.590 625 HD11 ILE 82 3HD1 ILE 82 -11.113 20.770 8.180 626 HD12 ILE 82 1HD1 ILE 82 -10.122 21.575 6.942 627 HD13 ILE 82 2HD1 ILE 82 -11.404 22.479 7.783 628 H MET 83 H MET 83 -13.077 20.501 3.568 629 HA MET 83 HA MET 83 -12.644 17.541 3.707 630 HB2 MET 83 1HB MET 83 -14.418 17.995 2.104 631 HB3 MET 83 2HB MET 83 -13.380 19.182 1.278 632 HG2 MET 83 1HG MET 83 -11.825 17.412 0.642 633 HG3 MET 83 2HG MET 83 -12.803 16.213 1.522 634 HE1 MET 83 3HE MET 83 -12.344 18.327 -1.695 635 HE2 MET 83 1HE MET 83 -13.955 18.288 -2.449 636 HE3 MET 83 2HE MET 83 -13.699 19.207 -0.946 637 H ALA 84 H ALA 84 -10.603 17.151 3.944 638 HA ALA 84 HA ALA 84 -8.616 19.043 2.828 639 HB1 ALA 84 3HB ALA 84 -8.270 16.580 4.574 640 HB2 ALA 84 1HB ALA 84 -6.976 17.703 4.088 641 HB3 ALA 84 2HB ALA 84 -8.300 18.270 5.135 642 H ALA 85 H ALA 85 -8.861 18.685 0.625 643 HA ALA 85 HA ALA 85 -8.471 15.904 -0.337 644 HB1 ALA 85 3HB ALA 85 -9.285 18.431 -1.818 645 HB2 ALA 85 1HB ALA 85 -9.194 16.798 -2.518 646 HB3 ALA 85 2HB ALA 85 -10.383 17.155 -1.242 647 H ASN 86 H ASN 86 -6.665 15.175 -1.186 648 HA ASN 86 HA ASN 86 -4.915 17.056 -2.672 649 HB2 ASN 86 1HB ASN 86 -2.897 16.688 -1.309 650 HB3 ASN 86 2HB ASN 86 -4.396 16.782 -0.353 651 HD21 ASN 86 2HD2 ASN 86 -2.181 15.714 0.754 652 HD22 ASN 86 1HD2 ASN 86 -2.366 14.002 0.947 653 HA PRO 87 HA PRO 87 -4.158 13.976 -5.554 654 HB2 PRO 87 1HB PRO 87 -1.227 13.741 -4.761 655 HB3 PRO 87 2HB PRO 87 -1.915 14.095 -6.352 656 HG2 PRO 87 1HG PRO 87 -0.811 16.068 -4.943 657 HG3 PRO 87 2HG PRO 87 -2.314 16.372 -5.825 658 HD2 PRO 87 1HD PRO 87 -1.918 15.896 -2.843 659 HD3 PRO 87 2HD PRO 87 -3.011 17.027 -3.650 660 H GLN 88 H GLN 88 -3.149 13.274 -2.316 661 HA GLN 88 HA GLN 88 -2.698 10.414 -2.996 662 HB2 GLN 88 1HB GLN 88 -2.381 11.862 -0.360 663 HB3 GLN 88 2HB GLN 88 -1.833 10.216 -0.753 664 HG2 GLN 88 1HG GLN 88 -0.477 12.833 -1.837 665 HG3 GLN 88 2HG GLN 88 -0.112 11.540 -0.670 666 HE21 GLN 88 2HE2 GLN 88 0.390 12.633 -3.778 667 HE22 GLN 88 1HE2 GLN 88 0.872 11.146 -4.527 668 H GLY 89 H GLY 89 -5.262 12.333 -2.172 669 HA2 GLY 89 1HA GLY 89 -7.284 10.631 -1.971 670 HA3 GLY 89 2HA GLY 89 -6.524 10.325 -0.394 671 H ARG 90 H ARG 90 -8.725 11.064 0.311 672 HA ARG 90 HA ARG 90 -8.538 13.910 1.068 673 HB2 ARG 90 1HB ARG 90 -10.681 14.544 0.377 674 HB3 ARG 90 2HB ARG 90 -9.679 14.072 -1.015 675 HG2 ARG 90 1HG ARG 90 -10.847 11.893 -1.092 676 HG3 ARG 90 2HG ARG 90 -11.879 12.417 0.261 677 HD2 ARG 90 1HD ARG 90 -12.735 14.226 -1.124 678 HD3 ARG 90 2HD ARG 90 -11.741 13.638 -2.477 679 HE ARG 90 HE ARG 90 -13.558 11.512 -1.678 680 HH11 ARG 90 1HH1 ARG 90 -13.659 14.650 -3.192 681 HH12 ARG 90 2HH1 ARG 90 -15.078 14.173 -4.103 682 HH21 ARG 90 1HH2 ARG 90 -15.187 10.952 -2.706 683 HH22 ARG 90 2HH2 ARG 90 -15.952 12.063 -3.825 684 H VAL 91 H VAL 91 -9.970 14.523 2.752 685 HA VAL 91 HA VAL 91 -11.581 12.376 4.042 686 HB VAL 91 HB VAL 91 -9.319 12.156 5.091 687 HG11 VAL 91 1HG1 VAL 91 -8.468 14.017 6.478 688 HG12 VAL 91 2HG1 VAL 91 -8.556 14.484 4.763 689 HG13 VAL 91 3HG1 VAL 91 -9.798 15.052 5.906 690 HG21 VAL 91 3HG2 VAL 91 -11.312 11.651 6.374 691 HG22 VAL 91 1HG2 VAL 91 -10.061 12.379 7.408 692 HG23 VAL 91 2HG2 VAL 91 -11.448 13.355 6.869 693 H SER 92 H SER 92 -13.301 13.034 5.090 694 HA SER 92 HA SER 92 -13.858 16.016 4.974 695 HB2 SER 92 1HB SER 92 -15.689 13.753 4.450 696 HB3 SER 92 2HB SER 92 -16.106 15.479 4.558 697 HG SER 92 HG SER 92 -15.742 14.787 2.406 698 H CYS 93 H CYS 93 -15.037 16.913 6.646 699 HA CYS 93 HA CYS 93 -15.986 15.179 8.911 700 HB2 CYS 93 1HB CYS 93 -13.598 15.730 9.286 701 HB3 CYS 93 2HB CYS 93 -13.968 17.458 9.075 702 HG CYS 93 HG CYS 93 -15.107 15.395 11.337 703 H THR 94 H THR 94 -17.816 15.962 9.776 704 HA THR 94 HA THR 94 -19.131 18.196 8.458 705 HB THR 94 HB THR 94 -19.954 16.652 10.950 706 HG1 THR 94 HG1 THR 94 -21.262 15.505 9.405 707 HG21 THR 94 1HG2 THR 94 -22.218 17.470 10.392 708 HG22 THR 94 2HG2 THR 94 -21.104 18.825 10.697 709 HG23 THR 94 3HG2 THR 94 -21.547 18.395 9.029 710 H GLY 95 H GLY 95 -19.217 20.242 8.926 711 HA2 GLY 95 1HA GLY 95 -17.996 21.136 11.494 712 HA3 GLY 95 2HA GLY 95 -18.205 22.131 10.032 713 H ARG 96 H ARG 96 -20.333 20.116 12.111 714 HA ARG 96 HA ARG 96 -22.712 21.558 11.647 715 HB2 ARG 96 1HB ARG 96 -22.624 19.390 12.691 716 HB3 ARG 96 2HB ARG 96 -21.936 20.130 14.155 717 HG2 ARG 96 1HG ARG 96 -23.963 21.405 14.521 718 HG3 ARG 96 2HG ARG 96 -24.648 20.819 12.986 719 HD2 ARG 96 1HD ARG 96 -24.633 18.549 13.892 720 HD3 ARG 96 2HD ARG 96 -24.050 19.201 15.441 721 HE ARG 96 HE ARG 96 -26.620 20.427 14.765 722 HH11 ARG 96 1HH1 ARG 96 -25.270 17.412 15.882 723 HH12 ARG 96 2HH1 ARG 96 -26.763 17.050 16.728 724 HH21 ARG 96 1HH2 ARG 96 -28.337 20.024 15.721 725 HH22 ARG 96 2HH2 ARG 96 -28.513 18.538 16.636 726 H LEU 97 H LEU 97 -23.033 23.637 11.807 727 HA LEU 97 HA LEU 97 -22.376 24.882 14.455 728 HB2 LEU 97 1HB LEU 97 -21.018 25.777 12.869 729 HB3 LEU 97 2HB LEU 97 -22.277 26.143 11.667 730 HG LEU 97 HG LEU 97 -23.288 27.731 13.354 731 HD11 LEU 97 1HD1 LEU 97 -21.774 28.528 15.189 732 HD12 LEU 97 2HD1 LEU 97 -22.162 26.803 15.376 733 HD13 LEU 97 3HD1 LEU 97 -20.582 27.294 14.720 734 HD21 LEU 97 3HD2 LEU 97 -21.983 28.535 11.476 735 HD22 LEU 97 1HD2 LEU 97 -21.665 29.539 12.909 736 HD23 LEU 97 2HD2 LEU 97 -20.474 28.320 12.393 737 H MET 98 H MET 98 -24.133 24.977 15.602 738 HA MET 98 HA MET 98 -26.735 25.503 14.232 739 HB2 MET 98 1HB MET 98 -26.077 24.672 17.061 740 HB3 MET 98 2HB MET 98 -27.712 24.899 16.395 741 HG2 MET 98 1HG MET 98 -25.686 22.850 15.447 742 HG3 MET 98 2HG MET 98 -27.060 22.515 16.527 743 HE1 MET 98 3HE MET 98 -29.429 24.174 15.388 744 HE2 MET 98 1HE MET 98 -30.152 23.035 14.225 745 HE3 MET 98 2HE MET 98 -29.555 22.445 15.795 746 H VAL 99 H VAL 99 -28.027 27.193 14.634 747 HA VAL 99 HA VAL 99 -26.771 29.447 16.202 748 HB VAL 99 HB VAL 99 -28.532 29.578 13.719 749 HG11 VAL 99 1HG1 VAL 99 -28.078 32.006 13.837 750 HG12 VAL 99 2HG1 VAL 99 -28.918 31.439 15.300 751 HG13 VAL 99 3HG1 VAL 99 -27.168 31.763 15.347 752 HG21 VAL 99 3HG2 VAL 99 -26.292 28.834 13.172 753 HG22 VAL 99 1HG2 VAL 99 -26.560 30.500 12.607 754 HG23 VAL 99 2HG2 VAL 99 -25.597 30.202 14.073 755 H GLN 100 H GLN 100 -27.760 30.188 17.850 756 HA GLN 100 HA GLN 100 -30.621 29.420 18.232 757 HB2 GLN 100 1HB GLN 100 -28.991 28.818 19.985 758 HB3 GLN 100 2HB GLN 100 -28.589 30.542 20.169 759 HG2 GLN 100 1HG GLN 100 -31.128 30.886 21.012 760 HG3 GLN 100 2HG GLN 100 -31.106 29.170 20.543 761 HE21 GLN 100 2HE2 GLN 100 -31.857 30.251 23.102 762 HE22 GLN 100 1HE2 GLN 100 -30.742 29.627 24.272 763 H ALA 101 H ALA 101 -32.171 30.783 17.900 764 HA ALA 101 HA ALA 101 -31.723 33.477 17.093 765 HB1 ALA 101 3HB ALA 101 -34.246 32.189 18.188 766 HB2 ALA 101 1HB ALA 101 -34.164 33.734 17.312 767 HB3 ALA 101 2HB ALA 101 -33.740 32.218 16.482 768 H VAL 102 H VAL 102 -30.887 35.028 18.262 769 HA VAL 102 HA VAL 102 -31.617 35.213 21.176 770 HB VAL 102 HB VAL 102 -29.181 35.098 20.679 771 HG11 VAL 102 1HG1 VAL 102 -28.112 36.984 19.489 772 HG12 VAL 102 2HG1 VAL 102 -29.237 36.110 18.424 773 HG13 VAL 102 3HG1 VAL 102 -29.714 37.671 19.135 774 HG21 VAL 102 3HG2 VAL 102 -29.959 36.314 22.627 775 HG22 VAL 102 1HG2 VAL 102 -28.528 37.101 21.918 776 HG23 VAL 102 2HG2 VAL 102 -30.146 37.792 21.651 777 H ASN 103 H ASN 103 -33.524 36.190 21.211 778 HA ASN 103 HA ASN 103 -34.035 38.563 19.565 779 HB2 ASN 103 1HB ASN 103 -35.845 37.374 21.793 780 HB3 ASN 103 2HB ASN 103 -35.878 38.819 20.752 781 HD21 ASN 103 2HD2 ASN 103 -37.619 36.401 20.975 782 HD22 ASN 103 1HD2 ASN 103 -37.726 35.782 19.361 783 H GLN 104 H GLN 104 -32.342 38.014 22.413 784 HA GLN 104 HA GLN 104 -33.019 40.614 23.642 785 HB2 GLN 104 1HB GLN 104 -30.913 38.550 24.324 786 HB3 GLN 104 2HB GLN 104 -31.323 39.985 25.293 787 HG2 GLN 104 1HG GLN 104 -33.198 37.484 24.976 788 HG3 GLN 104 2HG GLN 104 -32.159 38.202 26.230 789 HE21 GLN 104 2HE2 GLN 104 -35.281 37.927 25.126 790 HE22 GLN 104 1HE2 GLN 104 -35.970 39.337 25.858 791 H ARG 105 H ARG 105 -31.013 39.544 21.173 792 HA ARG 105 HA ARG 105 -29.015 41.712 21.658 793 HB2 ARG 105 1HB ARG 105 -28.178 39.480 21.230 794 HB3 ARG 105 2HB ARG 105 -28.945 39.530 19.626 795 HG2 ARG 105 1HG ARG 105 -26.673 40.074 19.258 796 HG3 ARG 105 2HG ARG 105 -27.560 41.617 19.179 797 HD2 ARG 105 1HD ARG 105 -26.804 42.255 21.305 798 HD3 ARG 105 2HD ARG 105 -26.145 40.636 21.629 799 HE ARG 105 HE ARG 105 -24.651 41.719 19.414 800 HH11 ARG 105 1HH1 ARG 105 -25.173 42.486 22.776 801 HH12 ARG 105 2HH1 ARG 105 -23.566 43.179 22.873 802 HH21 ARG 105 1HH2 ARG 105 -22.812 42.518 19.507 803 HH22 ARG 105 2HH2 ARG 105 -22.220 43.200 21.009 804 H GLY 106 H GLY 106 -29.355 43.608 20.839 805 HA2 GLY 106 1HA GLY 106 -31.389 44.060 18.828 806 HA3 GLY 106 2HA GLY 106 -30.282 45.275 19.518 807 H ARG 107 H ARG 107 -28.006 43.349 18.762 808 HA ARG 107 HA ARG 107 -27.672 44.399 16.004 809 HB2 ARG 107 1HB ARG 107 -25.743 43.060 17.849 810 HB3 ARG 107 2HB ARG 107 -25.396 43.596 16.188 811 HG2 ARG 107 1HG ARG 107 -25.909 45.920 16.847 812 HG3 ARG 107 2HG ARG 107 -26.204 45.368 18.514 813 HD2 ARG 107 1HD ARG 107 -23.894 44.641 18.666 814 HD3 ARG 107 2HD ARG 107 -23.608 45.233 17.014 815 HE ARG 107 HE ARG 107 -24.455 47.498 18.586 816 HH11 ARG 107 1HH1 ARG 107 -21.776 45.267 18.529 817 HH12 ARG 107 2HH1 ARG 107 -20.720 46.509 19.172 818 HH21 ARG 107 1HH2 ARG 107 -23.261 48.928 19.332 819 HH22 ARG 107 2HH2 ARG 107 -21.565 48.597 19.631 820 H SER 108 H SER 108 -29.134 41.791 17.270 821 HA SER 108 HA SER 108 -28.113 39.494 15.890 822 HB2 SER 108 1HB SER 108 -29.646 39.307 17.623 823 HB3 SER 108 2HB SER 108 -30.887 40.164 16.681 824 HG SER 108 HG SER 108 -31.087 37.886 16.549 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 6.157 0.425 3.114 2 H2 GLY 1 2H GLY 1 4.705 0.089 2.952 3 H3 GLY 1 3H GLY 1 5.380 0.990 1.962 4 HA2 GLY 1 1HA GLY 1 4.003 1.847 4.293 5 HA3 GLY 1 2HA GLY 1 5.726 2.246 4.485 6 H GLY 2 H GLY 2 3.501 2.267 1.675 7 HA2 GLY 2 1HA GLY 2 2.918 3.963 0.216 8 HA3 GLY 2 2HA GLY 2 3.294 5.118 1.517 9 H SER 3 H SER 3 4.709 6.589 0.881 10 HA SER 3 HA SER 3 7.356 5.990 -0.178 11 HB2 SER 3 1HB SER 3 6.267 5.223 -2.077 12 HB3 SER 3 2HB SER 3 5.351 6.740 -2.223 13 HG SER 3 HG SER 3 7.221 6.700 -3.545 14 H ASN 4 H ASN 4 7.327 7.565 1.738 15 HA ASN 4 HA ASN 4 7.568 9.725 2.571 16 HB2 ASN 4 1HB ASN 4 9.241 9.768 0.343 17 HB3 ASN 4 2HB ASN 4 7.747 10.634 -0.093 18 HD21 ASN 4 2HD2 ASN 4 9.311 12.375 -0.446 19 HD22 ASN 4 1HD2 ASN 4 9.727 13.390 0.897 20 H ALA 5 H ALA 5 4.962 9.003 2.264 21 HA ALA 5 HA ALA 5 3.722 11.633 1.904 22 HB1 ALA 5 3HB ALA 5 2.888 9.289 0.162 23 HB2 ALA 5 1HB ALA 5 2.037 10.846 0.290 24 HB3 ALA 5 2HB ALA 5 3.676 10.784 -0.398 25 H THR 6 H THR 6 1.554 11.752 2.675 26 HA THR 6 HA THR 6 0.698 9.447 4.359 27 HB THR 6 HB THR 6 1.042 12.281 5.417 28 HG1 THR 6 HG1 THR 6 2.461 9.864 5.993 29 HG21 THR 6 1HG2 THR 6 0.386 11.273 7.574 30 HG22 THR 6 2HG2 THR 6 -0.902 11.083 6.361 31 HG23 THR 6 3HG2 THR 6 0.146 9.704 6.769 32 H ALA 7 H ALA 7 -1.362 9.054 4.255 33 HA ALA 7 HA ALA 7 -3.124 10.640 2.660 34 HB1 ALA 7 3HB ALA 7 -3.762 8.523 4.739 35 HB2 ALA 7 1HB ALA 7 -4.895 9.161 3.526 36 HB3 ALA 7 2HB ALA 7 -3.465 8.236 3.010 37 HA PRO 8 HA PRO 8 -4.476 13.790 5.352 38 HB2 PRO 8 1HB PRO 8 -7.114 14.070 4.482 39 HB3 PRO 8 2HB PRO 8 -5.744 14.681 3.544 40 HG2 PRO 8 1HG PRO 8 -7.270 12.079 3.217 41 HG3 PRO 8 2HG PRO 8 -6.735 13.218 1.974 42 HD2 PRO 8 1HD PRO 8 -5.322 10.948 2.445 43 HD3 PRO 8 2HD PRO 8 -4.475 12.452 2.055 44 H PHE 9 H PHE 9 -5.148 13.979 7.320 45 HA PHE 9 HA PHE 9 -7.353 12.287 8.331 46 HB2 PHE 9 1HB PHE 9 -5.434 10.783 8.630 47 HB3 PHE 9 2HB PHE 9 -4.521 12.076 9.442 48 HD1 PHE 9 HD1 PHE 9 -7.528 9.925 9.715 49 HD2 PHE 9 HD2 PHE 9 -4.718 12.442 11.720 50 HE1 PHE 9 HE1 PHE 9 -8.431 9.192 11.897 51 HE2 PHE 9 HE2 PHE 9 -5.617 11.711 13.904 52 HZ PHE 9 HZ PHE 9 -7.475 10.086 13.992 53 H PHE 10 H PHE 10 -8.610 13.486 9.490 54 HA PHE 10 HA PHE 10 -7.793 16.115 10.425 55 HB2 PHE 10 1HB PHE 10 -10.291 14.450 10.960 56 HB3 PHE 10 2HB PHE 10 -10.070 16.139 11.467 57 HD1 PHE 10 HD2 PHE 10 -9.670 17.877 9.673 58 HD2 PHE 10 HD1 PHE 10 -11.098 13.934 8.862 59 HE1 PHE 10 HE2 PHE 10 -10.557 18.649 7.499 60 HE2 PHE 10 HE1 PHE 10 -11.985 14.702 6.686 61 HZ PHE 10 HZ PHE 10 -11.714 17.060 6.004 62 H GLU 11 H GLU 11 -5.951 15.623 11.684 63 HA GLU 11 HA GLU 11 -6.182 14.112 14.150 64 HB2 GLU 11 1HB GLU 11 -4.062 15.042 14.712 65 HB3 GLU 11 2HB GLU 11 -4.055 14.550 13.001 66 HG2 GLU 11 1HG GLU 11 -4.334 16.982 12.335 67 HG3 GLU 11 2HG GLU 11 -4.410 17.314 14.080 68 H MET 12 H MET 12 -7.144 17.295 13.207 69 HA MET 12 HA MET 12 -8.382 17.476 15.915 70 HB2 MET 12 1HB MET 12 -6.430 18.973 15.865 71 HB3 MET 12 2HB MET 12 -7.106 19.775 14.427 72 HG2 MET 12 1HG MET 12 -9.055 20.489 15.743 73 HG3 MET 12 2HG MET 12 -8.378 19.687 17.180 74 HE1 MET 12 3HE MET 12 -8.453 22.819 14.946 75 HE2 MET 12 1HE MET 12 -6.879 23.597 15.234 76 HE3 MET 12 2HE MET 12 -6.964 22.074 14.316 77 H LYS 13 H LYS 13 -10.438 17.184 15.558 78 HA LYS 13 HA LYS 13 -11.576 18.031 12.946 79 HB2 LYS 13 1HB LYS 13 -12.640 16.320 15.194 80 HB3 LYS 13 2HB LYS 13 -13.542 16.730 13.715 81 HG2 LYS 13 1HG LYS 13 -11.846 15.581 12.355 82 HG3 LYS 13 2HG LYS 13 -10.935 15.177 13.828 83 HD2 LYS 13 1HD LYS 13 -12.852 13.876 14.660 84 HD3 LYS 13 2HD LYS 13 -13.766 14.282 13.189 85 HE2 LYS 13 1HE LYS 13 -12.073 13.141 11.820 86 HE3 LYS 13 2HE LYS 13 -11.157 12.737 13.289 87 HZ1 LYS 13 3HZ LYS 13 -13.889 11.817 12.667 88 HZ2 LYS 13 1HZ LYS 13 -12.521 10.902 12.559 89 HZ3 LYS 13 2HZ LYS 13 -13.039 11.442 14.030 90 H LEU 14 H LEU 14 -13.739 18.957 12.875 91 HA LEU 14 HA LEU 14 -14.004 21.178 14.782 92 HB2 LEU 14 1HB LEU 14 -15.595 20.173 12.518 93 HB3 LEU 14 2HB LEU 14 -16.072 21.686 13.323 94 HG LEU 14 HG LEU 14 -13.474 21.188 11.816 95 HD11 LEU 14 1HD1 LEU 14 -14.396 22.864 10.191 96 HD12 LEU 14 2HD1 LEU 14 -15.454 21.439 10.320 97 HD13 LEU 14 3HD1 LEU 14 -15.891 22.950 11.152 98 HD21 LEU 14 3HD2 LEU 14 -13.148 22.691 13.690 99 HD22 LEU 14 1HD2 LEU 14 -13.053 23.598 12.162 100 HD23 LEU 14 2HD2 LEU 14 -14.521 23.693 13.165 101 H LYS 15 H LYS 15 -15.717 21.607 16.134 102 HA LYS 15 HA LYS 15 -17.175 19.140 17.017 103 HB2 LYS 15 1HB LYS 15 -16.550 21.691 18.518 104 HB3 LYS 15 2HB LYS 15 -17.417 20.276 19.160 105 HG2 LYS 15 1HG LYS 15 -15.373 18.907 18.832 106 HG3 LYS 15 2HG LYS 15 -14.513 20.361 18.270 107 HD2 LYS 15 1HD LYS 15 -14.857 21.439 20.433 108 HD3 LYS 15 2HD LYS 15 -15.804 20.042 21.000 109 HE2 LYS 15 1HE LYS 15 -13.828 18.600 20.744 110 HE3 LYS 15 2HE LYS 15 -12.882 19.996 20.182 111 HZ1 LYS 15 3HZ LYS 15 -14.119 19.723 22.847 112 HZ2 LYS 15 1HZ LYS 15 -12.513 19.552 22.513 113 HZ3 LYS 15 2HZ LYS 15 -13.242 21.020 22.326 114 H HIS 16 H HIS 16 -19.310 19.502 17.999 115 HA HIS 16 HA HIS 16 -21.031 21.136 16.323 116 HB2 HIS 16 1HB HIS 16 -21.826 19.031 17.406 117 HB3 HIS 16 2HB HIS 16 -21.629 19.796 19.000 118 HD1 HIS 16 HD1 HIS 16 -24.235 19.158 19.162 119 HD2 HIS 16 HD2 HIS 16 -23.291 22.327 16.549 120 HE1 HIS 16 HE1 HIS 16 -26.344 20.300 18.697 121 H TYR 17 H TYR 17 -21.124 23.232 16.351 122 HA TYR 17 HA TYR 17 -20.366 24.649 18.871 123 HB2 TYR 17 1HB TYR 17 -20.573 25.648 16.025 124 HB3 TYR 17 2HB TYR 17 -20.022 26.583 17.436 125 HD1 TYR 17 HD2 TYR 17 -17.990 25.504 18.743 126 HD2 TYR 17 HD1 TYR 17 -18.961 24.629 14.685 127 HE1 TYR 17 HE2 TYR 17 -15.673 24.727 18.368 128 HE2 TYR 17 HE1 TYR 17 -16.645 23.845 14.291 129 HH TYR 17 HH TYR 17 -14.177 23.895 16.866 130 H LYS 18 H LYS 18 -21.580 26.180 19.820 131 HA LYS 18 HA LYS 18 -24.379 26.469 18.771 132 HB2 LYS 18 1HB LYS 18 -23.432 26.254 21.633 133 HB3 LYS 18 2HB LYS 18 -25.092 26.640 21.118 134 HG2 LYS 18 1HG LYS 18 -25.211 24.423 19.986 135 HG3 LYS 18 2HG LYS 18 -23.598 24.040 20.634 136 HD2 LYS 18 1HD LYS 18 -24.456 24.307 22.928 137 HD3 LYS 18 2HD LYS 18 -26.069 24.682 22.279 138 HE2 LYS 18 1HE LYS 18 -26.146 22.458 21.214 139 HE3 LYS 18 2HE LYS 18 -24.549 22.084 21.902 140 HZ1 LYS 18 3HZ LYS 18 -26.990 22.664 23.453 141 HZ2 LYS 18 1HZ LYS 18 -26.328 21.170 23.232 142 HZ3 LYS 18 2HZ LYS 18 -25.509 22.317 24.091 143 H ILE 19 H ILE 19 -24.462 28.406 17.901 144 HA ILE 19 HA ILE 19 -23.272 30.694 19.450 145 HB ILE 19 HB ILE 19 -23.321 30.304 16.421 146 HG12 ILE 19 1HG1 ILE 19 -21.699 28.882 17.507 147 HG13 ILE 19 2HG1 ILE 19 -20.948 30.151 16.511 148 HG21 ILE 19 1HG2 ILE 19 -22.013 32.401 16.380 149 HG22 ILE 19 2HG2 ILE 19 -23.609 32.658 17.119 150 HG23 ILE 19 3HG2 ILE 19 -22.162 32.532 18.147 151 HD11 ILE 19 3HD1 ILE 19 -21.203 30.183 19.539 152 HD12 ILE 19 1HD1 ILE 19 -19.718 29.834 18.626 153 HD13 ILE 19 2HD1 ILE 19 -20.453 31.454 18.544 154 H PHE 20 H PHE 20 -24.320 32.542 19.613 155 HA PHE 20 HA PHE 20 -27.203 32.419 19.190 156 HB2 PHE 20 1HB PHE 20 -25.290 34.504 20.276 157 HB3 PHE 20 2HB PHE 20 -27.002 34.880 19.979 158 HD1 PHE 20 HD2 PHE 20 -28.739 33.363 21.089 159 HD2 PHE 20 HD1 PHE 20 -24.634 33.558 22.261 160 HE1 PHE 20 HE2 PHE 20 -29.330 32.442 23.306 161 HE2 PHE 20 HE1 PHE 20 -25.221 32.634 24.477 162 HZ PHE 20 HZ PHE 20 -27.570 32.077 24.999 163 H GLU 21 H GLU 21 -28.497 33.635 17.885 164 HA GLU 21 HA GLU 21 -27.625 33.962 15.204 165 HB2 GLU 21 1HB GLU 21 -29.967 33.718 15.938 166 HB3 GLU 21 2HB GLU 21 -29.900 35.361 16.621 167 HG2 GLU 21 1HG GLU 21 -29.465 36.241 14.247 168 HG3 GLU 21 2HG GLU 21 -29.611 34.536 13.763 169 H GLY 22 H GLY 22 -26.271 35.291 14.326 170 HA2 GLY 22 1HA GLY 22 -25.752 37.495 13.564 171 HA3 GLY 22 2HA GLY 22 -26.471 38.167 15.044 172 H MET 23 H MET 23 -24.854 35.760 16.338 173 HA MET 23 HA MET 23 -22.595 37.477 17.113 174 HB2 MET 23 1HB MET 23 -23.784 36.161 18.765 175 HB3 MET 23 2HB MET 23 -23.391 34.668 17.878 176 HG2 MET 23 1HG MET 23 -21.019 34.988 18.336 177 HG3 MET 23 2HG MET 23 -21.364 36.531 19.152 178 HE1 MET 23 3HE MET 23 -19.665 35.082 20.972 179 HE2 MET 23 1HE MET 23 -20.255 33.634 21.824 180 HE3 MET 23 2HE MET 23 -19.891 33.556 20.083 181 HA PRO 24 HA PRO 24 -19.727 35.751 14.219 182 HB2 PRO 24 1HB PRO 24 -17.452 36.858 15.326 183 HB3 PRO 24 2HB PRO 24 -18.587 37.859 14.407 184 HG2 PRO 24 1HG PRO 24 -18.341 37.527 17.416 185 HG3 PRO 24 2HG PRO 24 -18.533 39.011 16.475 186 HD2 PRO 24 1HD PRO 24 -20.671 37.829 17.711 187 HD3 PRO 24 2HD PRO 24 -20.864 38.677 16.171 188 H VAL 25 H VAL 25 -18.330 34.110 14.088 189 HA VAL 25 HA VAL 25 -17.369 32.799 16.581 190 HB VAL 25 HB VAL 25 -19.600 31.777 16.239 191 HG11 VAL 25 1HG1 VAL 25 -20.037 30.472 14.185 192 HG12 VAL 25 2HG1 VAL 25 -19.808 32.197 13.811 193 HG13 VAL 25 3HG1 VAL 25 -18.495 31.036 13.498 194 HG21 VAL 25 3HG2 VAL 25 -17.802 30.421 17.134 195 HG22 VAL 25 1HG2 VAL 25 -18.877 29.446 16.105 196 HG23 VAL 25 2HG2 VAL 25 -17.294 29.974 15.488 197 H THR 26 H THR 26 -15.471 31.960 16.418 198 HA THR 26 HA THR 26 -14.437 31.406 13.654 199 HB THR 26 HB THR 26 -12.859 32.167 16.145 200 HG1 THR 26 HG1 THR 26 -13.930 33.620 14.017 201 HG21 THR 26 1HG2 THR 26 -10.942 32.273 14.590 202 HG22 THR 26 2HG2 THR 26 -11.644 30.637 14.632 203 HG23 THR 26 3HG2 THR 26 -11.989 31.719 13.262 204 H PHE 27 H PHE 27 -13.905 29.441 13.135 205 HA PHE 27 HA PHE 27 -13.049 27.558 15.280 206 HB2 PHE 27 1HB PHE 27 -14.491 25.769 14.205 207 HB3 PHE 27 2HB PHE 27 -15.409 27.030 15.059 208 HD1 PHE 27 HD2 PHE 27 -16.735 28.642 13.854 209 HD2 PHE 27 HD1 PHE 27 -14.597 25.546 11.829 210 HE1 PHE 27 HE2 PHE 27 -18.086 29.042 11.822 211 HE2 PHE 27 HE1 PHE 27 -15.944 25.946 9.795 212 HZ PHE 27 HZ PHE 27 -17.688 27.694 9.792 213 H THR 28 H THR 28 -11.978 25.647 14.478 214 HA THR 28 HA THR 28 -10.671 26.006 11.845 215 HB THR 28 HB THR 28 -9.434 27.571 13.356 216 HG1 THR 28 HG1 THR 28 -7.374 26.617 12.886 217 HG21 THR 28 1HG2 THR 28 -8.077 26.619 15.188 218 HG22 THR 28 2HG2 THR 28 -9.816 26.370 15.482 219 HG23 THR 28 3HG2 THR 28 -8.809 25.022 14.900 220 H CYS 29 H CYS 29 -9.226 24.318 11.277 221 HA CYS 29 HA CYS 29 -9.549 21.763 12.853 222 HB2 CYS 29 1HB CYS 29 -11.482 22.163 11.303 223 HB3 CYS 29 2HB CYS 29 -10.331 22.248 9.948 224 HG CYS 29 HG CYS 29 -9.405 19.876 10.240 225 H ARG 30 H ARG 30 -7.890 20.343 12.543 226 HA ARG 30 HA ARG 30 -5.661 21.294 10.770 227 HB2 ARG 30 1HB ARG 30 -5.221 21.783 13.084 228 HB3 ARG 30 2HB ARG 30 -5.403 20.057 13.475 229 HG2 ARG 30 1HG ARG 30 -3.491 19.526 12.024 230 HG3 ARG 30 2HG ARG 30 -3.310 21.253 11.629 231 HD2 ARG 30 1HD ARG 30 -2.683 21.765 13.842 232 HD3 ARG 30 2HD ARG 30 -3.087 20.124 14.398 233 HE ARG 30 HE ARG 30 -0.891 19.406 13.507 234 HH11 ARG 30 1HH1 ARG 30 -1.586 22.672 12.499 235 HH12 ARG 30 2HH1 ARG 30 0.081 22.876 11.994 236 HH21 ARG 30 1HH2 ARG 30 1.018 19.623 12.926 237 HH22 ARG 30 2HH2 ARG 30 1.566 21.138 12.235 238 H VAL 31 H VAL 31 -4.732 19.915 9.450 239 HA VAL 31 HA VAL 31 -5.610 17.033 9.609 240 HB VAL 31 HB VAL 31 -5.200 18.748 7.121 241 HG11 VAL 31 1HG1 VAL 31 -5.993 16.740 5.916 242 HG12 VAL 31 2HG1 VAL 31 -4.501 16.396 6.823 243 HG13 VAL 31 3HG1 VAL 31 -6.073 15.849 7.455 244 HG21 VAL 31 3HG2 VAL 31 -7.268 19.316 8.246 245 HG22 VAL 31 1HG2 VAL 31 -7.592 18.428 6.738 246 HG23 VAL 31 2HG2 VAL 31 -7.730 17.598 8.306 247 H ALA 32 H ALA 32 -4.134 15.605 9.786 248 HA ALA 32 HA ALA 32 -1.322 16.389 9.361 249 HB1 ALA 32 3HB ALA 32 -2.552 13.792 10.353 250 HB2 ALA 32 1HB ALA 32 -0.814 14.177 10.321 251 HB3 ALA 32 2HB ALA 32 -1.909 15.106 11.368 252 H GLY 33 H GLY 33 -1.969 16.711 7.003 253 HA2 GLY 33 1HA GLY 33 -1.853 14.110 5.533 254 HA3 GLY 33 2HA GLY 33 -2.497 15.635 4.883 255 H ASN 34 H ASN 34 -0.532 13.993 3.611 256 HA ASN 34 HA ASN 34 1.464 16.099 3.153 257 HB2 ASN 34 3HB ASN 34 2.390 14.640 5.095 258 HB3 ASN 34 2HB ASN 34 2.380 13.257 4.027 259 HD21 ASN 34 2HD2 ASN 34 4.641 14.169 5.355 260 HD22 ASN 34 1HD2 ASN 34 5.796 14.695 4.019 261 HA PRO 35 HA PRO 35 2.185 17.009 1.821 262 HB2 PRO 35 1HB PRO 35 0.716 17.923 -0.644 263 HB3 PRO 35 2HB PRO 35 2.415 18.177 -0.218 264 HG2 PRO 35 1HG PRO 35 1.746 16.456 -2.175 265 HG3 PRO 35 2HG PRO 35 3.086 16.087 -1.081 266 HD2 PRO 35 1HD PRO 35 0.213 15.041 -0.981 267 HD3 PRO 35 2HD PRO 35 1.720 14.133 -0.821 268 H LYS 36 H LYS 36 1.141 19.042 2.289 269 HA LYS 36 HA LYS 36 -1.240 18.623 3.808 270 HB2 LYS 36 1HB LYS 36 0.308 20.998 2.877 271 HB3 LYS 36 2HB LYS 36 -1.318 21.235 3.559 272 HG2 LYS 36 1HG LYS 36 0.362 21.536 5.297 273 HG3 LYS 36 2HG LYS 36 -0.607 20.080 5.625 274 HD2 LYS 36 1HD LYS 36 1.211 18.732 4.508 275 HD3 LYS 36 2HD LYS 36 2.192 20.216 4.462 276 HE2 LYS 36 1HE LYS 36 2.824 18.917 6.398 277 HE3 LYS 36 2HE LYS 36 1.984 20.393 6.928 278 HZ1 LYS 36 3HZ LYS 36 0.775 17.710 6.730 279 HZ2 LYS 36 1HZ LYS 36 1.224 18.458 8.129 280 HZ3 LYS 36 2HZ LYS 36 -0.005 19.078 7.220 281 HA PRO 37 HA PRO 37 -4.134 18.387 0.474 282 HB2 PRO 37 1HB PRO 37 -6.024 18.698 2.845 283 HB3 PRO 37 2HB PRO 37 -6.065 17.491 1.553 284 HG2 PRO 37 1HG PRO 37 -5.197 16.789 3.974 285 HG3 PRO 37 2HG PRO 37 -4.361 16.177 2.540 286 HD2 PRO 37 1HD PRO 37 -3.495 18.356 4.462 287 HD3 PRO 37 2HD PRO 37 -2.500 17.199 3.573 288 H LYS 38 H LYS 38 -5.318 19.737 -0.688 289 HA LYS 38 HA LYS 38 -5.169 22.576 -0.027 290 HB2 LYS 38 1HB LYS 38 -6.584 21.044 -2.209 291 HB3 LYS 38 2HB LYS 38 -6.564 22.820 -2.076 292 HG2 LYS 38 1HG LYS 38 -4.086 22.772 -2.263 293 HG3 LYS 38 2HG LYS 38 -4.162 21.009 -2.492 294 HD2 LYS 38 1HD LYS 38 -5.556 21.342 -4.507 295 HD3 LYS 38 2HD LYS 38 -5.438 23.104 -4.284 296 HE2 LYS 38 1HE LYS 38 -3.001 22.981 -4.535 297 HE3 LYS 38 2HE LYS 38 -3.106 21.218 -4.738 298 HZ1 LYS 38 3HZ LYS 38 -4.302 23.226 -6.538 299 HZ2 LYS 38 1HZ LYS 38 -2.941 22.350 -6.851 300 HZ3 LYS 38 2HZ LYS 38 -4.401 21.590 -6.728 301 H ILE 39 H ILE 39 -6.238 22.334 2.090 302 HA ILE 39 HA ILE 39 -8.777 21.267 2.547 303 HB ILE 39 HB ILE 39 -7.592 23.821 3.735 304 HG12 ILE 39 1HG1 ILE 39 -6.148 21.966 4.064 305 HG13 ILE 39 2HG1 ILE 39 -6.945 22.407 5.593 306 HG21 ILE 39 1HG2 ILE 39 -9.157 23.420 5.606 307 HG22 ILE 39 2HG2 ILE 39 -10.035 23.680 4.081 308 HG23 ILE 39 3HG2 ILE 39 -9.849 22.034 4.730 309 HD11 ILE 39 3HD1 ILE 39 -7.709 20.079 3.795 310 HD12 ILE 39 1HD1 ILE 39 -6.816 19.960 5.328 311 HD13 ILE 39 2HD1 ILE 39 -8.506 20.519 5.323 312 H TYR 40 H TYR 40 -10.640 21.469 1.699 313 HA TYR 40 HA TYR 40 -11.424 24.149 0.604 314 HB2 TYR 40 1HB TYR 40 -12.494 21.373 0.059 315 HB3 TYR 40 2HB TYR 40 -13.176 22.884 -0.591 316 HD1 TYR 40 HD2 TYR 40 -11.572 24.364 -1.996 317 HD2 TYR 40 HD1 TYR 40 -10.819 20.255 -1.141 318 HE1 TYR 40 HE2 TYR 40 -10.003 24.266 -3.904 319 HE2 TYR 40 HE1 TYR 40 -9.243 20.139 -3.049 320 HH TYR 40 HH TYR 40 -8.576 22.969 -5.115 321 H TRP 41 H TRP 41 -13.142 25.222 1.302 322 HA TRP 41 HA TRP 41 -14.759 23.930 3.476 323 HB2 TRP 41 1HB TRP 41 -14.076 26.864 3.011 324 HB3 TRP 41 2HB TRP 41 -15.239 26.277 4.224 325 HD1 TRP 41 HD1 TRP 41 -11.629 26.461 3.434 326 HE1 TRP 41 HE1 TRP 41 -10.189 25.951 5.664 327 HE3 TRP 41 HE3 TRP 41 -15.448 24.998 6.453 328 HZ2 TRP 41 HZ2 TRP 41 -10.767 25.072 8.219 329 HZ3 TRP 41 HZ3 TRP 41 -15.005 24.338 8.737 330 HH2 TRP 41 HH2 TRP 41 -12.730 24.355 9.664 331 H PHE 42 H PHE 42 -16.850 23.680 3.245 332 HA PHE 42 HA PHE 42 -18.380 25.535 1.541 333 HB2 PHE 42 1HB PHE 42 -19.467 23.651 0.282 334 HB3 PHE 42 2HB PHE 42 -17.752 23.867 -0.133 335 HD1 PHE 42 HD2 PHE 42 -16.070 22.285 0.699 336 HD2 PHE 42 HD1 PHE 42 -20.260 21.668 1.269 337 HE1 PHE 42 HE2 PHE 42 -15.650 19.898 1.185 338 HE2 PHE 42 HE1 PHE 42 -19.843 19.280 1.756 339 HZ PHE 42 HZ PHE 42 -17.538 18.396 1.714 340 H LYS 43 H LYS 43 -20.552 25.613 1.971 341 HA LYS 43 HA LYS 43 -21.236 24.329 4.595 342 HB2 LYS 43 1HB LYS 43 -20.943 26.836 4.482 343 HB3 LYS 43 2HB LYS 43 -22.371 26.869 3.420 344 HG2 LYS 43 1HG LYS 43 -22.648 25.449 6.028 345 HG3 LYS 43 2HG LYS 43 -22.512 27.222 6.089 346 HD2 LYS 43 1HD LYS 43 -24.347 27.305 4.337 347 HD3 LYS 43 2HD LYS 43 -24.577 25.562 4.615 348 HE2 LYS 43 1HE LYS 43 -24.805 26.184 7.103 349 HE3 LYS 43 2HE LYS 43 -25.005 27.856 6.531 350 HZ1 LYS 43 3HZ LYS 43 -26.694 25.568 5.754 351 HZ2 LYS 43 1HZ LYS 43 -27.119 26.757 6.815 352 HZ3 LYS 43 2HZ LYS 43 -26.879 27.119 5.223 353 H ASP 44 H ASP 44 -22.535 22.691 4.392 354 HA ASP 44 HA ASP 44 -24.200 21.301 3.547 355 HB2 ASP 44 1HB ASP 44 -25.616 23.997 3.088 356 HB3 ASP 44 2HB ASP 44 -26.226 22.335 2.900 357 H GLY 45 H GLY 45 -22.066 22.130 1.752 358 HA2 GLY 45 1HA GLY 45 -21.719 21.156 -0.398 359 HA3 GLY 45 2HA GLY 45 -23.462 21.295 -0.733 360 H LYS 46 H LYS 46 -22.586 24.137 0.687 361 HA LYS 46 HA LYS 46 -22.429 25.488 -1.965 362 HB2 LYS 46 1HB LYS 46 -22.909 26.574 0.816 363 HB3 LYS 46 2HB LYS 46 -22.926 27.518 -0.692 364 HG2 LYS 46 1HG LYS 46 -24.869 26.273 -1.486 365 HG3 LYS 46 2HG LYS 46 -24.827 25.243 -0.035 366 HD2 LYS 46 1HD LYS 46 -25.264 27.193 1.384 367 HD3 LYS 46 2HD LYS 46 -25.259 28.249 -0.048 368 HE2 LYS 46 1HE LYS 46 -27.168 26.935 -0.964 369 HE3 LYS 46 2HE LYS 46 -27.211 26.007 0.552 370 HZ1 LYS 46 3HZ LYS 46 -27.619 28.919 0.313 371 HZ2 LYS 46 1HZ LYS 46 -28.807 27.801 0.563 372 HZ3 LYS 46 2HZ LYS 46 -27.659 28.058 1.720 373 H GLN 47 H GLN 47 -20.422 25.504 -2.696 374 HA GLN 47 HA GLN 47 -18.049 25.542 -1.186 375 HB2 GLN 47 1HB GLN 47 -18.239 25.136 -3.628 376 HB3 GLN 47 2HB GLN 47 -18.543 26.875 -3.857 377 HG2 GLN 47 1HG GLN 47 -16.042 27.251 -2.861 378 HG3 GLN 47 2HG GLN 47 -16.251 25.486 -2.781 379 HE21 GLN 47 2HE2 GLN 47 -14.086 26.523 -4.084 380 HE22 GLN 47 1HE2 GLN 47 -14.253 26.303 -5.795 381 H ILE 48 H ILE 48 -16.972 26.922 -0.019 382 HA ILE 48 HA ILE 48 -18.021 29.725 0.133 383 HB ILE 48 HB ILE 48 -16.241 28.118 2.026 384 HG12 ILE 48 1HG1 ILE 48 -19.045 29.117 2.439 385 HG13 ILE 48 2HG1 ILE 48 -18.630 27.473 1.899 386 HG21 ILE 48 1HG2 ILE 48 -16.481 30.054 3.546 387 HG22 ILE 48 2HG2 ILE 48 -15.678 30.525 2.031 388 HG23 ILE 48 3HG2 ILE 48 -17.392 30.926 2.291 389 HD11 ILE 48 3HD1 ILE 48 -17.790 28.746 4.527 390 HD12 ILE 48 1HD1 ILE 48 -19.071 27.529 4.322 391 HD13 ILE 48 2HD1 ILE 48 -17.375 27.103 3.987 392 H SER 49 H SER 49 -17.061 31.317 -0.756 393 HA SER 49 HA SER 49 -14.287 31.129 -1.785 394 HB2 SER 49 1HB SER 49 -15.852 32.186 -3.105 395 HB3 SER 49 2HB SER 49 -16.280 33.312 -1.799 396 HG SER 49 HG SER 49 -14.097 34.042 -1.870 397 HA PRO 50 HA PRO 50 -12.417 32.572 2.029 398 HB2 PRO 50 1HB PRO 50 -10.289 33.426 0.026 399 HB3 PRO 50 2HB PRO 50 -10.091 32.479 1.506 400 HG2 PRO 50 1HG PRO 50 -9.977 31.251 -0.858 401 HG3 PRO 50 2HG PRO 50 -10.826 30.472 0.483 402 HD2 PRO 50 1HD PRO 50 -11.999 31.954 -1.905 403 HD3 PRO 50 2HD PRO 50 -12.578 30.478 -1.123 404 H LYS 51 H LYS 51 -12.535 34.366 3.082 405 HA LYS 51 HA LYS 51 -12.960 36.611 3.513 406 HB2 LYS 51 1HB LYS 51 -11.487 36.961 0.897 407 HB3 LYS 51 2HB LYS 51 -11.856 38.248 2.070 408 HG2 LYS 51 1HG LYS 51 -10.453 37.110 3.751 409 HG3 LYS 51 2HG LYS 51 -10.070 35.841 2.563 410 HD2 LYS 51 1HD LYS 51 -9.030 37.517 1.096 411 HD3 LYS 51 2HD LYS 51 -9.426 38.795 2.270 412 HE2 LYS 51 1HE LYS 51 -8.009 37.736 3.946 413 HE3 LYS 51 2HE LYS 51 -7.660 36.394 2.833 414 HZ1 LYS 51 3HZ LYS 51 -6.915 39.215 2.402 415 HZ2 LYS 51 1HZ LYS 51 -5.884 38.010 2.860 416 HZ3 LYS 51 2HZ LYS 51 -6.591 37.971 1.369 417 H SER 52 H SER 52 -15.165 35.500 2.782 418 HA SER 52 HA SER 52 -16.401 36.970 0.477 419 HB2 SER 52 1HB SER 52 -16.721 34.600 0.779 420 HB3 SER 52 2HB SER 52 -17.632 34.965 2.261 421 HG SER 52 HG SER 52 -19.010 34.818 0.472 422 H ASP 53 H ASP 53 -18.970 37.113 1.456 423 HA ASP 53 HA ASP 53 -19.019 39.682 2.657 424 HB2 ASP 53 1HB ASP 53 -21.216 37.524 2.560 425 HB3 ASP 53 2HB ASP 53 -21.292 39.180 3.208 426 H HIS 54 H HIS 54 -19.403 36.479 4.157 427 HA HIS 54 HA HIS 54 -18.699 37.742 6.764 428 HB2 HIS 54 1HB HIS 54 -21.043 35.841 6.316 429 HB3 HIS 54 2HB HIS 54 -20.438 36.378 7.902 430 HD2 HIS 54 HD2 HIS 54 -23.030 37.527 5.231 431 HE1 HIS 54 HE1 HIS 54 -22.296 40.753 7.898 432 HE2 HIS 54 HE2 HIS 54 -23.805 39.786 5.974 433 H TYR 55 H TYR 55 -18.012 35.493 4.463 434 HA TYR 55 HA TYR 55 -17.116 33.438 6.451 435 HB2 TYR 55 1HB TYR 55 -17.685 33.241 3.488 436 HB3 TYR 55 2HB TYR 55 -17.018 31.930 4.495 437 HD1 TYR 55 HD1 TYR 55 -18.938 33.054 6.874 438 HD2 TYR 55 HD2 TYR 55 -19.527 31.589 2.913 439 HE1 TYR 55 HE1 TYR 55 -21.233 32.350 7.482 440 HE2 TYR 55 HE2 TYR 55 -21.818 30.878 3.503 441 HH TYR 55 HH TYR 55 -23.501 31.919 6.116 442 H THR 56 H THR 56 -15.174 34.170 7.085 443 HA THR 56 HA THR 56 -13.171 34.792 4.961 444 HB THR 56 HB THR 56 -13.050 35.189 7.981 445 HG1 THR 56 HG1 THR 56 -13.212 37.422 7.347 446 HG21 THR 56 1HG2 THR 56 -11.008 36.488 7.488 447 HG22 THR 56 2HG2 THR 56 -10.830 34.795 6.970 448 HG23 THR 56 3HG2 THR 56 -11.154 36.064 5.766 449 H ILE 57 H ILE 57 -11.896 33.290 4.264 450 HA ILE 57 HA ILE 57 -11.272 30.972 6.068 451 HB ILE 57 HB ILE 57 -11.051 31.287 3.038 452 HG12 ILE 57 1HG1 ILE 57 -12.829 29.486 4.662 453 HG13 ILE 57 2HG1 ILE 57 -13.323 31.047 3.967 454 HG21 ILE 57 1HG2 ILE 57 -10.407 28.900 3.050 455 HG22 ILE 57 2HG2 ILE 57 -9.236 29.883 3.959 456 HG23 ILE 57 3HG2 ILE 57 -10.437 28.900 4.830 457 HD11 ILE 57 3HD1 ILE 57 -12.357 28.630 2.400 458 HD12 ILE 57 1HD1 ILE 57 -14.045 29.171 2.543 459 HD13 ILE 57 2HD1 ILE 57 -12.851 30.191 1.706 460 H GLN 58 H GLN 58 -9.412 30.669 6.920 461 HA GLN 58 HA GLN 58 -7.040 31.899 5.573 462 HB2 GLN 58 1HB GLN 58 -7.591 33.231 7.529 463 HB3 GLN 58 2HB GLN 58 -7.633 31.763 8.533 464 HG2 GLN 58 1HG GLN 58 -5.274 32.706 8.948 465 HG3 GLN 58 2HG GLN 58 -5.431 31.348 7.810 466 HE21 GLN 58 2HE2 GLN 58 -3.533 31.787 6.707 467 HE22 GLN 58 1HE2 GLN 58 -3.336 33.175 5.690 468 H ARG 59 H ARG 59 -5.911 30.331 4.752 469 HA ARG 59 HA ARG 59 -5.773 27.743 6.254 470 HB2 ARG 59 1HB ARG 59 -5.143 28.241 3.380 471 HB3 ARG 59 2HB ARG 59 -5.153 26.687 4.245 472 HG2 ARG 59 1HG ARG 59 -7.578 26.928 4.627 473 HG3 ARG 59 2HG ARG 59 -7.558 28.464 3.726 474 HD2 ARG 59 1HD ARG 59 -6.791 25.799 2.583 475 HD3 ARG 59 2HD ARG 59 -8.405 26.538 2.460 476 HE ARG 59 HE ARG 59 -6.509 28.366 1.257 477 HH11 ARG 59 1HH1 ARG 59 -7.790 25.178 0.661 478 HH12 ARG 59 2HH1 ARG 59 -7.573 25.406 -1.063 479 HH21 ARG 59 1HH2 ARG 59 -6.245 28.639 -0.714 480 HH22 ARG 59 2HH2 ARG 59 -6.690 27.379 -1.848 481 H ASP 60 H ASP 60 -4.099 27.532 7.506 482 HA ASP 60 HA ASP 60 -1.508 28.765 6.774 483 HB2 ASP 60 1HB ASP 60 -2.409 28.636 9.229 484 HB3 ASP 60 2HB ASP 60 -2.181 26.892 8.948 485 H LEU 61 H LEU 61 0.154 27.823 5.869 486 HA LEU 61 HA LEU 61 -0.240 25.296 4.537 487 HB2 LEU 61 1HB LEU 61 2.102 27.000 5.085 488 HB3 LEU 61 2HB LEU 61 2.273 25.622 3.973 489 HG LEU 61 HG LEU 61 0.504 28.067 3.580 490 HD11 LEU 61 1HD1 LEU 61 2.030 28.524 1.643 491 HD12 LEU 61 2HD1 LEU 61 2.928 28.494 3.178 492 HD13 LEU 61 3HD1 LEU 61 2.991 27.093 2.081 493 HD21 LEU 61 3HD2 LEU 61 -0.560 26.075 2.701 494 HD22 LEU 61 1HD2 LEU 61 -0.005 27.107 1.362 495 HD23 LEU 61 2HD2 LEU 61 0.915 25.647 1.802 496 H ASP 62 H ASP 62 0.773 26.070 7.695 497 HA ASP 62 HA ASP 62 2.477 23.838 8.251 498 HB2 ASP 62 1HB ASP 62 1.898 25.921 9.796 499 HB3 ASP 62 2HB ASP 62 0.438 24.936 10.060 500 H GLY 63 H GLY 63 -1.020 24.129 8.009 501 HA2 GLY 63 1HA GLY 63 -1.925 21.885 7.139 502 HA3 GLY 63 2HA GLY 63 -1.228 21.212 8.631 503 H THR 64 H THR 64 -2.171 24.261 9.414 504 HA THR 64 HA THR 64 -4.871 23.330 10.330 505 HB THR 64 HB THR 64 -3.075 25.530 11.443 506 HG1 THR 64 HG1 THR 64 -3.792 23.451 13.084 507 HG21 THR 64 1HG2 THR 64 -4.750 25.650 13.255 508 HG22 THR 64 2HG2 THR 64 -5.482 26.039 11.681 509 HG23 THR 64 3HG2 THR 64 -5.747 24.440 12.414 510 H CYS 65 H CYS 65 -6.579 24.108 9.413 511 HA CYS 65 HA CYS 65 -6.435 26.836 8.084 512 HB2 CYS 65 1HB CYS 65 -7.847 24.225 7.389 513 HB3 CYS 65 2HB CYS 65 -8.051 25.760 6.510 514 HG CYS 65 HG CYS 65 -5.472 23.802 6.844 515 H SER 66 H SER 66 -8.100 28.222 8.480 516 HA SER 66 HA SER 66 -10.114 27.385 10.595 517 HB2 SER 66 1HB SER 66 -9.909 29.433 11.619 518 HB3 SER 66 2HB SER 66 -8.341 28.596 11.560 519 HG SER 66 HG SER 66 -8.181 30.821 11.040 520 H LEU 67 H LEU 67 -12.157 28.212 10.396 521 HA LEU 67 HA LEU 67 -12.655 30.174 8.189 522 HB2 LEU 67 1HB LEU 67 -13.385 28.177 7.441 523 HB3 LEU 67 2HB LEU 67 -14.265 27.672 8.902 524 HG LEU 67 HG LEU 67 -15.821 29.621 8.529 525 HD11 LEU 67 1HD1 LEU 67 -15.872 30.599 6.219 526 HD12 LEU 67 2HD1 LEU 67 -14.327 30.941 7.032 527 HD13 LEU 67 3HD1 LEU 67 -14.422 29.656 5.806 528 HD21 LEU 67 3HD2 LEU 67 -16.468 27.359 7.945 529 HD22 LEU 67 1HD2 LEU 67 -17.120 28.504 6.749 530 HD23 LEU 67 2HD2 LEU 67 -15.693 27.518 6.351 531 H HIS 68 H HIS 68 -13.471 31.996 8.807 532 HA HIS 68 HA HIS 68 -14.815 32.093 11.486 533 HB2 HIS 68 1HB HIS 68 -12.841 33.494 11.495 534 HB3 HIS 68 2HB HIS 68 -13.280 34.217 9.927 535 HD2 HIS 68 HD2 HIS 68 -14.548 36.701 10.232 536 HE1 HIS 68 HE1 HIS 68 -15.850 36.024 14.219 537 HE2 HIS 68 HE2 HIS 68 -15.709 37.708 12.205 538 H THR 69 H THR 69 -16.870 32.511 11.624 539 HA THR 69 HA THR 69 -18.221 33.812 9.287 540 HB THR 69 HB THR 69 -19.405 32.291 11.647 541 HG1 THR 69 HG1 THR 69 -20.041 30.960 9.649 542 HG21 THR 69 1HG2 THR 69 -21.529 32.489 10.404 543 HG22 THR 69 2HG2 THR 69 -20.884 34.092 10.828 544 HG23 THR 69 3HG2 THR 69 -20.715 33.476 9.167 545 H THR 70 H THR 70 -18.489 35.880 9.363 546 HA THR 70 HA THR 70 -18.008 37.397 11.781 547 HB THR 70 HB THR 70 -19.228 38.250 9.123 548 HG1 THR 70 HG1 THR 70 -17.071 39.062 8.807 549 HG21 THR 70 1HG2 THR 70 -18.646 40.539 9.849 550 HG22 THR 70 2HG2 THR 70 -19.815 39.790 10.964 551 HG23 THR 70 3HG2 THR 70 -18.099 39.902 11.418 552 H ALA 71 H ALA 71 -20.940 36.395 10.072 553 HA ALA 71 HA ALA 71 -22.491 37.246 12.462 554 HB1 ALA 71 3HB ALA 71 -23.219 37.921 9.594 555 HB2 ALA 71 1HB ALA 71 -24.240 38.210 11.021 556 HB3 ALA 71 2HB ALA 71 -22.696 39.074 10.840 557 H SER 72 H SER 72 -22.632 35.091 13.060 558 HA SER 72 HA SER 72 -23.688 33.024 11.225 559 HB2 SER 72 1HB SER 72 -22.043 32.507 12.833 560 HB3 SER 72 2HB SER 72 -23.168 32.939 14.139 561 HG SER 72 HG SER 72 -23.575 30.932 12.175 562 H THR 73 H THR 73 -25.763 33.793 10.595 563 HA THR 73 HA THR 73 -27.766 34.110 12.790 564 HB THR 73 HB THR 73 -29.231 35.085 11.129 565 HG1 THR 73 HG1 THR 73 -27.184 34.382 9.261 566 HG21 THR 73 1HG2 THR 73 -27.905 37.044 10.415 567 HG22 THR 73 2HG2 THR 73 -27.525 36.589 12.094 568 HG23 THR 73 3HG2 THR 73 -26.404 36.160 10.782 569 H LEU 74 H LEU 74 -30.043 33.369 11.953 570 HA LEU 74 HA LEU 74 -29.942 30.505 12.092 571 HB2 LEU 74 1HB LEU 74 -32.017 32.449 11.336 572 HB3 LEU 74 2HB LEU 74 -32.470 30.742 11.549 573 HG LEU 74 HG LEU 74 -31.360 32.598 13.691 574 HD11 LEU 74 1HD1 LEU 74 -33.629 32.331 14.727 575 HD12 LEU 74 2HD1 LEU 74 -33.740 33.060 13.107 576 HD13 LEU 74 3HD1 LEU 74 -34.130 31.338 13.339 577 HD21 LEU 74 3HD2 LEU 74 -30.585 30.322 14.002 578 HD22 LEU 74 1HD2 LEU 74 -31.789 30.728 15.248 579 HD23 LEU 74 2HD2 LEU 74 -32.249 29.706 13.864 580 H ASP 75 H ASP 75 -29.978 32.719 9.405 581 HA ASP 75 HA ASP 75 -30.561 30.624 7.431 582 HB2 ASP 75 1HB ASP 75 -29.495 33.494 7.100 583 HB3 ASP 75 2HB ASP 75 -29.777 32.240 5.867 584 H ASP 76 H ASP 76 -27.802 31.692 9.182 585 HA ASP 76 HA ASP 76 -25.949 30.399 7.244 586 HB2 ASP 76 1HB ASP 76 -25.307 31.914 9.843 587 HB3 ASP 76 2HB ASP 76 -24.249 31.136 8.643 588 H ASP 77 H ASP 77 -27.740 29.663 10.048 589 HA ASP 77 HA ASP 77 -26.161 27.620 11.223 590 HB2 ASP 77 1HB ASP 77 -28.459 28.448 12.079 591 HB3 ASP 77 2HB ASP 77 -29.053 27.586 10.642 592 H GLY 78 H GLY 78 -25.438 25.737 10.633 593 HA2 GLY 78 1HA GLY 78 -26.634 23.739 9.187 594 HA3 GLY 78 2HA GLY 78 -25.964 24.791 7.919 595 H ASN 79 H ASN 79 -24.647 22.919 7.354 596 HA ASN 79 HA ASN 79 -22.476 22.309 9.334 597 HB2 ASN 79 1HB ASN 79 -23.248 20.427 6.995 598 HB3 ASN 79 2HB ASN 79 -22.097 20.480 8.352 599 HD21 ASN 79 2HD2 ASN 79 -25.152 19.534 7.308 600 HD22 ASN 79 1HD2 ASN 79 -25.824 19.087 8.841 601 H TYR 80 H TYR 80 -20.830 23.604 9.009 602 HA TYR 80 HA TYR 80 -19.987 24.352 6.288 603 HB2 TYR 80 1HB TYR 80 -18.770 24.818 9.017 604 HB3 TYR 80 2HB TYR 80 -18.117 25.451 7.487 605 HD1 TYR 80 HD1 TYR 80 -21.197 25.501 9.616 606 HD2 TYR 80 HD2 TYR 80 -18.860 27.524 6.674 607 HE1 TYR 80 HE1 TYR 80 -22.679 27.479 9.805 608 HE2 TYR 80 HE2 TYR 80 -20.330 29.502 6.854 609 HH TYR 80 HH TYR 80 -23.322 29.474 8.647 610 H THR 81 H THR 81 -19.779 22.095 5.582 611 HA THR 81 HA THR 81 -17.934 20.314 6.899 612 HB THR 81 HB THR 81 -18.955 20.248 4.028 613 HG1 THR 81 HG1 THR 81 -20.484 18.762 4.958 614 HG21 THR 81 1HG2 THR 81 -18.421 17.840 4.159 615 HG22 THR 81 2HG2 THR 81 -16.963 18.833 4.400 616 HG23 THR 81 3HG2 THR 81 -17.763 18.075 5.796 617 H ILE 82 H ILE 82 -15.852 19.972 6.744 618 HA ILE 82 HA ILE 82 -14.334 21.508 4.650 619 HB ILE 82 HB ILE 82 -13.480 22.270 6.718 620 HG12 ILE 82 1HG1 ILE 82 -11.828 19.852 6.034 621 HG13 ILE 82 2HG1 ILE 82 -11.770 21.425 5.206 622 HG21 ILE 82 1HG2 ILE 82 -13.038 20.787 8.645 623 HG22 ILE 82 2HG2 ILE 82 -14.746 20.708 8.158 624 HG23 ILE 82 3HG2 ILE 82 -13.633 19.395 7.711 625 HD11 ILE 82 3HD1 ILE 82 -11.085 20.925 8.124 626 HD12 ILE 82 1HD1 ILE 82 -9.916 21.196 6.812 627 HD13 ILE 82 2HD1 ILE 82 -11.028 22.498 7.296 628 H MET 83 H MET 83 -12.961 20.588 3.322 629 HA MET 83 HA MET 83 -12.826 17.590 3.442 630 HB2 MET 83 1HB MET 83 -14.377 18.324 1.726 631 HB3 MET 83 2HB MET 83 -13.135 19.402 1.046 632 HG2 MET 83 1HG MET 83 -11.773 17.506 0.402 633 HG3 MET 83 2HG MET 83 -12.899 16.383 1.202 634 HE1 MET 83 3HE MET 83 -12.140 18.596 -1.905 635 HE2 MET 83 1HE MET 83 -13.718 18.699 -2.723 636 HE3 MET 83 2HE MET 83 -13.466 19.529 -1.168 637 H ALA 84 H ALA 84 -10.892 16.847 3.716 638 HA ALA 84 HA ALA 84 -8.569 18.520 2.961 639 HB1 ALA 84 3HB ALA 84 -8.727 15.860 4.422 640 HB2 ALA 84 1HB ALA 84 -7.251 16.819 4.162 641 HB3 ALA 84 2HB ALA 84 -8.563 17.463 5.176 642 H ALA 85 H ALA 85 -8.826 18.411 0.696 643 HA ALA 85 HA ALA 85 -8.511 15.726 -0.525 644 HB1 ALA 85 3HB ALA 85 -9.059 18.435 -1.784 645 HB2 ALA 85 1HB ALA 85 -9.000 16.882 -2.645 646 HB3 ALA 85 2HB ALA 85 -10.268 17.177 -1.432 647 H ASN 86 H ASN 86 -6.578 14.964 -0.888 648 HA ASN 86 HA ASN 86 -4.595 16.763 -2.196 649 HB2 ASN 86 1HB ASN 86 -2.812 16.356 -0.554 650 HB3 ASN 86 2HB ASN 86 -4.428 16.478 0.182 651 HD21 ASN 86 2HD2 ASN 86 -2.285 15.328 1.483 652 HD22 ASN 86 1HD2 ASN 86 -2.580 13.630 1.673 653 HA PRO 87 HA PRO 87 -3.507 13.636 -4.914 654 HB2 PRO 87 1HB PRO 87 -0.767 13.240 -3.633 655 HB3 PRO 87 2HB PRO 87 -1.154 13.615 -5.318 656 HG2 PRO 87 1HG PRO 87 -0.197 15.540 -3.745 657 HG3 PRO 87 2HG PRO 87 -1.510 15.916 -4.868 658 HD2 PRO 87 1HD PRO 87 -1.649 15.457 -1.862 659 HD3 PRO 87 2HD PRO 87 -2.532 16.629 -2.848 660 H GLN 88 H GLN 88 -3.051 12.885 -1.557 661 HA GLN 88 HA GLN 88 -2.786 9.989 -2.165 662 HB2 GLN 88 1HB GLN 88 -2.781 11.477 0.471 663 HB3 GLN 88 2HB GLN 88 -2.414 9.752 0.230 664 HG2 GLN 88 1HG GLN 88 -0.519 12.098 -0.646 665 HG3 GLN 88 2HG GLN 88 -0.563 10.827 0.597 666 HE21 GLN 88 2HE2 GLN 88 0.602 11.684 -2.419 667 HE22 GLN 88 1HE2 GLN 88 1.007 10.109 -3.018 668 H GLY 89 H GLY 89 -5.272 12.076 -1.993 669 HA2 GLY 89 1HA GLY 89 -7.439 10.732 -2.273 670 HA3 GLY 89 2HA GLY 89 -7.059 10.080 -0.663 671 H ARG 90 H ARG 90 -9.350 11.057 -0.466 672 HA ARG 90 HA ARG 90 -9.059 13.774 0.718 673 HB2 ARG 90 1HB ARG 90 -10.969 14.652 -0.293 674 HB3 ARG 90 2HB ARG 90 -9.772 14.183 -1.522 675 HG2 ARG 90 1HG ARG 90 -11.073 12.171 -2.038 676 HG3 ARG 90 2HG ARG 90 -12.262 12.612 -0.789 677 HD2 ARG 90 1HD ARG 90 -12.750 14.658 -2.057 678 HD3 ARG 90 2HD ARG 90 -11.661 14.073 -3.338 679 HE ARG 90 HE ARG 90 -13.760 12.100 -2.953 680 HH11 ARG 90 1HH1 ARG 90 -13.382 15.353 -4.152 681 HH12 ARG 90 2HH1 ARG 90 -14.726 15.110 -5.252 682 HH21 ARG 90 1HH2 ARG 90 -15.305 11.809 -4.200 683 HH22 ARG 90 2HH2 ARG 90 -15.823 13.090 -5.279 684 H VAL 91 H VAL 91 -10.509 14.298 2.315 685 HA VAL 91 HA VAL 91 -12.627 12.387 3.094 686 HB VAL 91 HB VAL 91 -10.641 11.322 4.129 687 HG11 VAL 91 1HG1 VAL 91 -9.361 12.544 5.854 688 HG12 VAL 91 2HG1 VAL 91 -9.197 13.324 4.263 689 HG13 VAL 91 3HG1 VAL 91 -10.281 14.023 5.490 690 HG21 VAL 91 3HG2 VAL 91 -12.769 11.222 5.283 691 HG22 VAL 91 1HG2 VAL 91 -11.426 11.329 6.443 692 HG23 VAL 91 2HG2 VAL 91 -12.420 12.765 6.099 693 H SER 92 H SER 92 -14.166 13.202 4.341 694 HA SER 92 HA SER 92 -14.070 16.216 4.590 695 HB2 SER 92 1HB SER 92 -16.349 16.238 4.308 696 HB3 SER 92 2HB SER 92 -15.559 15.388 2.960 697 HG SER 92 HG SER 92 -17.438 14.313 3.709 698 H CYS 93 H CYS 93 -14.985 17.189 6.407 699 HA CYS 93 HA CYS 93 -15.948 15.422 8.664 700 HB2 CYS 93 1HB CYS 93 -13.557 15.917 8.959 701 HB3 CYS 93 2HB CYS 93 -13.865 17.651 8.695 702 HG CYS 93 HG CYS 93 -15.346 17.988 10.743 703 H THR 94 H THR 94 -17.605 16.304 9.825 704 HA THR 94 HA THR 94 -19.036 18.455 8.417 705 HB THR 94 HB THR 94 -19.830 16.820 10.864 706 HG1 THR 94 HG1 THR 94 -21.096 15.683 9.278 707 HG21 THR 94 1HG2 THR 94 -22.113 17.588 10.320 708 HG22 THR 94 2HG2 THR 94 -21.042 18.965 10.672 709 HG23 THR 94 3HG2 THR 94 -21.465 18.574 8.988 710 H GLY 95 H GLY 95 -18.630 20.483 8.785 711 HA2 GLY 95 1HA GLY 95 -17.764 21.401 11.439 712 HA3 GLY 95 2HA GLY 95 -18.001 22.400 9.987 713 H ARG 96 H ARG 96 -19.870 20.428 12.328 714 HA ARG 96 HA ARG 96 -22.398 21.620 11.627 715 HB2 ARG 96 1HB ARG 96 -22.198 19.426 12.599 716 HB3 ARG 96 2HB ARG 96 -21.645 20.161 14.123 717 HG2 ARG 96 1HG ARG 96 -23.785 21.285 14.397 718 HG3 ARG 96 2HG ARG 96 -24.342 20.659 12.826 719 HD2 ARG 96 1HD ARG 96 -24.228 18.401 13.696 720 HD3 ARG 96 2HD ARG 96 -23.696 19.040 15.269 721 HE ARG 96 HE ARG 96 -26.325 20.138 14.624 722 HH11 ARG 96 1HH1 ARG 96 -24.830 17.140 15.591 723 HH12 ARG 96 2HH1 ARG 96 -26.309 16.655 16.395 724 HH21 ARG 96 1HH2 ARG 96 -28.029 19.594 15.533 725 HH22 ARG 96 2HH2 ARG 96 -28.135 18.053 16.362 726 H LEU 97 H LEU 97 -22.726 23.711 11.767 727 HA LEU 97 HA LEU 97 -22.231 24.966 14.446 728 HB2 LEU 97 1HB LEU 97 -20.927 25.935 12.868 729 HB3 LEU 97 2HB LEU 97 -22.192 26.199 11.646 730 HG LEU 97 HG LEU 97 -23.320 27.766 13.245 731 HD11 LEU 97 1HD1 LEU 97 -21.955 28.645 15.158 732 HD12 LEU 97 2HD1 LEU 97 -22.277 26.905 15.339 733 HD13 LEU 97 3HD1 LEU 97 -20.683 27.461 14.773 734 HD21 LEU 97 3HD2 LEU 97 -21.944 28.614 11.439 735 HD22 LEU 97 1HD2 LEU 97 -21.756 29.642 12.879 736 HD23 LEU 97 2HD2 LEU 97 -20.484 28.473 12.446 737 H MET 98 H MET 98 -23.987 24.960 15.597 738 HA MET 98 HA MET 98 -26.608 25.391 14.214 739 HB2 MET 98 1HB MET 98 -26.308 23.373 15.609 740 HB3 MET 98 2HB MET 98 -25.997 24.427 17.010 741 HG2 MET 98 1HG MET 98 -28.254 25.357 16.825 742 HG3 MET 98 2HG MET 98 -28.569 24.338 15.401 743 HE1 MET 98 3HE MET 98 -28.308 24.560 19.269 744 HE2 MET 98 1HE MET 98 -28.177 22.857 19.768 745 HE3 MET 98 2HE MET 98 -26.826 23.639 18.912 746 H VAL 99 H VAL 99 -27.883 27.066 14.574 747 HA VAL 99 HA VAL 99 -26.731 29.244 16.316 748 HB VAL 99 HB VAL 99 -28.438 29.457 13.803 749 HG11 VAL 99 1HG1 VAL 99 -28.021 31.883 14.033 750 HG12 VAL 99 2HG1 VAL 99 -28.888 31.244 15.450 751 HG13 VAL 99 3HG1 VAL 99 -27.144 31.588 15.553 752 HG21 VAL 99 3HG2 VAL 99 -26.175 28.767 13.278 753 HG22 VAL 99 1HG2 VAL 99 -26.454 30.452 12.777 754 HG23 VAL 99 2HG2 VAL 99 -25.520 30.105 14.253 755 H GLN 100 H GLN 100 -27.789 30.001 17.924 756 HA GLN 100 HA GLN 100 -30.667 29.216 18.185 757 HB2 GLN 100 1HB GLN 100 -29.120 28.447 19.949 758 HB3 GLN 100 2HB GLN 100 -28.688 30.143 20.274 759 HG2 GLN 100 1HG GLN 100 -31.265 30.481 21.022 760 HG3 GLN 100 2HG GLN 100 -31.237 28.792 20.463 761 HE21 GLN 100 2HE2 GLN 100 -32.144 29.568 23.007 762 HE22 GLN 100 1HE2 GLN 100 -31.055 28.939 24.198 763 H ALA 101 H ALA 101 -32.214 30.640 18.111 764 HA ALA 101 HA ALA 101 -31.747 33.354 17.410 765 HB1 ALA 101 3HB ALA 101 -34.207 32.092 18.669 766 HB2 ALA 101 1HB ALA 101 -34.148 33.675 17.863 767 HB3 ALA 101 2HB ALA 101 -33.856 32.190 16.928 768 H VAL 102 H VAL 102 -31.247 35.107 18.486 769 HA VAL 102 HA VAL 102 -31.164 34.945 21.486 770 HB VAL 102 HB VAL 102 -29.016 35.483 20.398 771 HG11 VAL 102 1HG1 VAL 102 -28.774 37.591 19.125 772 HG12 VAL 102 2HG1 VAL 102 -29.909 36.480 18.322 773 HG13 VAL 102 3HG1 VAL 102 -30.526 37.866 19.252 774 HG21 VAL 102 3HG2 VAL 102 -29.499 36.445 22.570 775 HG22 VAL 102 1HG2 VAL 102 -28.538 37.569 21.581 776 HG23 VAL 102 2HG2 VAL 102 -30.285 37.843 21.795 777 H ASN 103 H ASN 103 -33.093 35.442 22.226 778 HA ASN 103 HA ASN 103 -34.711 37.545 21.014 779 HB2 ASN 103 1HB ASN 103 -35.252 36.041 23.681 780 HB3 ASN 103 2HB ASN 103 -36.021 37.377 22.789 781 HD21 ASN 103 2HD2 ASN 103 -36.908 34.624 23.494 782 HD22 ASN 103 1HD2 ASN 103 -37.404 33.914 21.994 783 H GLN 104 H GLN 104 -32.100 37.547 23.176 784 HA GLN 104 HA GLN 104 -32.846 39.926 24.676 785 HB2 GLN 104 1HB GLN 104 -30.184 38.617 24.087 786 HB3 GLN 104 2HB GLN 104 -30.403 40.012 25.169 787 HG2 GLN 104 1HG GLN 104 -31.935 38.360 26.684 788 HG3 GLN 104 2HG GLN 104 -31.477 37.334 25.305 789 HE21 GLN 104 2HE2 GLN 104 -30.983 36.525 27.896 790 HE22 GLN 104 1HE2 GLN 104 -29.278 36.550 28.201 791 H ARG 105 H ARG 105 -31.584 39.337 21.514 792 HA ARG 105 HA ARG 105 -30.282 41.841 21.052 793 HB2 ARG 105 1HB ARG 105 -30.031 39.953 19.604 794 HB3 ARG 105 2HB ARG 105 -31.731 40.103 19.102 795 HG2 ARG 105 1HG ARG 105 -31.276 42.288 18.122 796 HG3 ARG 105 2HG ARG 105 -29.588 42.209 18.682 797 HD2 ARG 105 1HD ARG 105 -29.665 41.738 16.368 798 HD3 ARG 105 2HD ARG 105 -29.260 40.247 17.248 799 HE ARG 105 HE ARG 105 -32.124 40.400 16.458 800 HH11 ARG 105 1HH1 ARG 105 -28.936 39.385 15.479 801 HH12 ARG 105 2HH1 ARG 105 -29.639 38.205 14.391 802 HH21 ARG 105 1HH2 ARG 105 -32.945 39.060 15.210 803 HH22 ARG 105 2HH2 ARG 105 -31.925 38.019 14.236 804 H GLY 106 H GLY 106 -31.029 43.788 21.245 805 HA2 GLY 106 1HA GLY 106 -33.854 44.351 21.416 806 HA3 GLY 106 2HA GLY 106 -32.533 45.545 21.374 807 H ARG 107 H ARG 107 -31.655 44.043 18.792 808 HA ARG 107 HA ARG 107 -33.277 45.743 16.978 809 HB2 ARG 107 1HB ARG 107 -30.784 44.173 16.497 810 HB3 ARG 107 2HB ARG 107 -31.667 45.126 15.282 811 HG2 ARG 107 1HG ARG 107 -31.269 47.167 16.589 812 HG3 ARG 107 2HG ARG 107 -30.389 46.215 17.810 813 HD2 ARG 107 1HD ARG 107 -28.730 45.634 16.132 814 HD3 ARG 107 2HD ARG 107 -29.600 46.631 14.943 815 HE ARG 107 HE ARG 107 -28.848 48.394 17.087 816 HH11 ARG 107 1HH1 ARG 107 -27.204 46.373 14.770 817 HH12 ARG 107 2HH1 ARG 107 -25.841 47.476 14.766 818 HH21 ARG 107 1HH2 ARG 107 -27.293 49.661 17.100 819 HH22 ARG 107 2HH2 ARG 107 -25.891 49.351 16.095 820 H SER 108 H SER 108 -33.548 42.706 18.224 821 HA SER 108 HA SER 108 -34.231 41.082 15.914 822 HB2 SER 108 1HB SER 108 -33.615 40.109 17.928 823 HB3 SER 108 2HB SER 108 -35.012 40.837 18.754 824 HG SER 108 HG SER 108 -35.401 38.684 18.078 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 12.796 1.475 1.432 2 H2 GLY 1 2H GLY 1 13.096 2.286 0.206 3 H3 GLY 1 3H GLY 1 12.544 2.955 1.430 4 HA2 GLY 1 1HA GLY 1 11.000 1.923 -0.719 5 HA3 GLY 1 2HA GLY 1 10.644 0.961 0.735 6 H GLY 2 H GLY 2 9.035 1.656 1.968 7 HA2 GLY 2 1HA GLY 2 7.489 3.057 2.966 8 HA3 GLY 2 2HA GLY 2 8.637 4.393 2.711 9 H SER 3 H SER 3 7.732 6.013 1.651 10 HA SER 3 HA SER 3 6.404 5.704 -0.953 11 HB2 SER 3 1HB SER 3 4.237 6.225 -0.446 12 HB3 SER 3 2HB SER 3 4.710 4.744 0.417 13 HG SER 3 HG SER 3 3.520 6.179 1.736 14 H ASN 4 H ASN 4 7.175 7.556 1.954 15 HA ASN 4 HA ASN 4 7.628 9.813 2.276 16 HB2 ASN 4 1HB ASN 4 8.077 9.998 -0.799 17 HB3 ASN 4 2HB ASN 4 8.202 11.100 0.594 18 HD21 ASN 4 2HD2 ASN 4 10.150 9.852 -1.375 19 HD22 ASN 4 1HD2 ASN 4 11.414 9.224 -0.371 20 H ALA 5 H ALA 5 4.925 8.912 2.067 21 HA ALA 5 HA ALA 5 3.676 11.529 1.674 22 HB1 ALA 5 3HB ALA 5 2.834 9.169 -0.041 23 HB2 ALA 5 1HB ALA 5 1.980 10.724 0.078 24 HB3 ALA 5 2HB ALA 5 3.616 10.660 -0.619 25 H THR 6 H THR 6 1.521 11.656 2.465 26 HA THR 6 HA THR 6 0.652 9.353 4.145 27 HB THR 6 HB THR 6 1.049 12.170 5.232 28 HG1 THR 6 HG1 THR 6 2.435 9.726 5.776 29 HG21 THR 6 1HG2 THR 6 0.401 11.145 7.383 30 HG22 THR 6 2HG2 THR 6 -0.903 10.988 6.182 31 HG23 THR 6 3HG2 THR 6 0.130 9.590 6.562 32 H ALA 7 H ALA 7 -1.417 8.999 4.059 33 HA ALA 7 HA ALA 7 -3.167 10.623 2.489 34 HB1 ALA 7 3HB ALA 7 -3.825 8.517 4.578 35 HB2 ALA 7 1HB ALA 7 -4.957 9.178 3.374 36 HB3 ALA 7 2HB ALA 7 -3.549 8.224 2.843 37 HA PRO 8 HA PRO 8 -4.437 13.793 5.195 38 HB2 PRO 8 1HB PRO 8 -7.084 14.114 4.360 39 HB3 PRO 8 2HB PRO 8 -5.720 14.700 3.399 40 HG2 PRO 8 1HG PRO 8 -7.292 12.121 3.108 41 HG3 PRO 8 2HG PRO 8 -6.760 13.247 1.851 42 HD2 PRO 8 1HD PRO 8 -5.372 10.959 2.307 43 HD3 PRO 8 2HD PRO 8 -4.510 12.447 1.898 44 H PHE 9 H PHE 9 -5.081 13.995 7.172 45 HA PHE 9 HA PHE 9 -7.286 12.333 8.224 46 HB2 PHE 9 1HB PHE 9 -5.400 10.790 8.476 47 HB3 PHE 9 2HB PHE 9 -4.432 12.061 9.258 48 HD1 PHE 9 HD1 PHE 9 -7.471 9.973 9.627 49 HD2 PHE 9 HD2 PHE 9 -4.557 12.443 11.541 50 HE1 PHE 9 HE1 PHE 9 -8.323 9.263 11.837 51 HE2 PHE 9 HE2 PHE 9 -5.404 11.733 13.752 52 HZ PHE 9 HZ PHE 9 -7.290 10.144 13.900 53 H PHE 10 H PHE 10 -8.493 13.532 9.438 54 HA PHE 10 HA PHE 10 -7.627 16.158 10.333 55 HB2 PHE 10 1HB PHE 10 -10.115 14.513 10.972 56 HB3 PHE 10 2HB PHE 10 -9.864 16.208 11.452 57 HD1 PHE 10 HD2 PHE 10 -9.448 17.901 9.586 58 HD2 PHE 10 HD1 PHE 10 -11.071 14.001 8.950 59 HE1 PHE 10 HE2 PHE 10 -10.409 18.654 7.435 60 HE2 PHE 10 HE1 PHE 10 -12.031 14.750 6.799 61 HZ PHE 10 HZ PHE 10 -11.700 17.076 6.041 62 H GLU 11 H GLU 11 -5.750 15.673 11.537 63 HA GLU 11 HA GLU 11 -5.889 14.181 14.015 64 HB2 GLU 11 1HB GLU 11 -3.766 15.130 14.506 65 HB3 GLU 11 2HB GLU 11 -3.806 14.654 12.790 66 HG2 GLU 11 1HG GLU 11 -4.118 17.080 12.149 67 HG3 GLU 11 2HG GLU 11 -4.189 17.406 13.896 68 H MET 12 H MET 12 -6.941 17.336 13.088 69 HA MET 12 HA MET 12 -8.076 17.513 15.845 70 HB2 MET 12 1HB MET 12 -6.181 19.083 15.653 71 HB3 MET 12 2HB MET 12 -6.981 19.836 14.252 72 HG2 MET 12 1HG MET 12 -8.865 20.496 15.675 73 HG3 MET 12 2HG MET 12 -8.084 19.728 17.077 74 HE1 MET 12 3HE MET 12 -8.359 22.831 14.804 75 HE2 MET 12 1HE MET 12 -6.799 23.661 15.019 76 HE3 MET 12 2HE MET 12 -6.873 22.121 14.127 77 H LYS 13 H LYS 13 -10.108 17.007 15.494 78 HA LYS 13 HA LYS 13 -11.389 17.810 12.950 79 HB2 LYS 13 1HB LYS 13 -12.296 16.103 15.268 80 HB3 LYS 13 2HB LYS 13 -13.277 16.452 13.825 81 HG2 LYS 13 1HG LYS 13 -11.578 15.353 12.412 82 HG3 LYS 13 2HG LYS 13 -10.617 14.987 13.864 83 HD2 LYS 13 1HD LYS 13 -12.485 13.647 14.758 84 HD3 LYS 13 2HD LYS 13 -13.435 14.003 13.297 85 HE2 LYS 13 1HE LYS 13 -11.725 12.895 11.917 86 HE3 LYS 13 2HE LYS 13 -10.781 12.534 13.380 87 HZ1 LYS 13 3HZ LYS 13 -13.496 11.534 12.803 88 HZ2 LYS 13 1HZ LYS 13 -12.105 10.654 12.690 89 HZ3 LYS 13 2HZ LYS 13 -12.620 11.199 14.160 90 H LEU 14 H LEU 14 -13.669 18.554 13.016 91 HA LEU 14 HA LEU 14 -13.849 20.911 14.772 92 HB2 LEU 14 1HB LEU 14 -15.587 19.719 12.713 93 HB3 LEU 14 2HB LEU 14 -16.004 21.295 13.425 94 HG LEU 14 HG LEU 14 -13.535 20.664 11.760 95 HD11 LEU 14 1HD1 LEU 14 -14.588 22.209 10.086 96 HD12 LEU 14 2HD1 LEU 14 -15.630 20.806 10.415 97 HD13 LEU 14 3HD1 LEU 14 -15.999 22.381 11.156 98 HD21 LEU 14 3HD2 LEU 14 -13.057 22.310 13.475 99 HD22 LEU 14 1HD2 LEU 14 -13.088 23.091 11.877 100 HD23 LEU 14 2HD2 LEU 14 -14.470 23.275 12.984 101 H LYS 15 H LYS 15 -15.454 21.386 16.228 102 HA LYS 15 HA LYS 15 -16.885 18.985 17.306 103 HB2 LYS 15 1HB LYS 15 -16.273 21.658 18.579 104 HB3 LYS 15 2HB LYS 15 -17.132 20.302 19.347 105 HG2 LYS 15 1HG LYS 15 -15.088 18.915 19.124 106 HG3 LYS 15 2HG LYS 15 -14.236 20.316 18.432 107 HD2 LYS 15 1HD LYS 15 -14.578 21.577 20.499 108 HD3 LYS 15 2HD LYS 15 -15.500 20.222 21.191 109 HE2 LYS 15 1HE LYS 15 -13.504 18.787 21.024 110 HE3 LYS 15 2HE LYS 15 -12.584 20.154 20.355 111 HZ1 LYS 15 3HZ LYS 15 -13.804 20.058 23.040 112 HZ2 LYS 15 1HZ LYS 15 -12.197 19.888 22.710 113 HZ3 LYS 15 2HZ LYS 15 -12.951 21.327 22.420 114 H HIS 16 H HIS 16 -19.024 19.337 18.225 115 HA HIS 16 HA HIS 16 -20.805 20.765 16.457 116 HB2 HIS 16 1HB HIS 16 -21.504 18.772 17.807 117 HB3 HIS 16 2HB HIS 16 -21.336 19.750 19.285 118 HD1 HIS 16 HD1 HIS 16 -23.952 18.875 19.362 119 HD2 HIS 16 HD2 HIS 16 -23.059 22.030 16.714 120 HE1 HIS 16 HE1 HIS 16 -26.093 19.906 18.795 121 H TYR 17 H TYR 17 -20.927 22.850 16.240 122 HA TYR 17 HA TYR 17 -20.207 24.562 18.586 123 HB2 TYR 17 1HB TYR 17 -20.429 25.246 15.648 124 HB3 TYR 17 2HB TYR 17 -19.867 26.319 16.954 125 HD1 TYR 17 HD2 TYR 17 -17.856 25.256 18.387 126 HD2 TYR 17 HD1 TYR 17 -18.790 24.230 14.354 127 HE1 TYR 17 HE2 TYR 17 -15.542 24.448 18.067 128 HE2 TYR 17 HE1 TYR 17 -16.474 23.417 14.016 129 HH TYR 17 HH TYR 17 -13.978 23.755 16.508 130 H LYS 18 H LYS 18 -21.454 26.192 19.326 131 HA LYS 18 HA LYS 18 -24.125 26.570 18.041 132 HB2 LYS 18 1HB LYS 18 -23.573 26.093 20.973 133 HB3 LYS 18 2HB LYS 18 -25.106 26.718 20.320 134 HG2 LYS 18 1HG LYS 18 -25.341 24.618 18.992 135 HG3 LYS 18 2HG LYS 18 -23.875 23.994 19.785 136 HD2 LYS 18 1HD LYS 18 -24.976 24.214 21.983 137 HD3 LYS 18 2HD LYS 18 -26.445 24.817 21.180 138 HE2 LYS 18 1HE LYS 18 -26.644 22.696 19.950 139 HE3 LYS 18 2HE LYS 18 -25.180 22.091 20.761 140 HZ1 LYS 18 3HZ LYS 18 -27.700 22.839 22.101 141 HZ2 LYS 18 1HZ LYS 18 -27.181 21.297 21.827 142 HZ3 LYS 18 2HZ LYS 18 -26.343 22.278 22.856 143 H ILE 19 H ILE 19 -24.919 28.573 18.028 144 HA ILE 19 HA ILE 19 -23.594 30.715 19.592 145 HB ILE 19 HB ILE 19 -22.261 30.378 17.398 146 HG12 ILE 19 1HG1 ILE 19 -22.280 32.829 16.907 147 HG13 ILE 19 2HG1 ILE 19 -23.589 32.975 18.102 148 HG21 ILE 19 1HG2 ILE 19 -23.307 31.356 15.383 149 HG22 ILE 19 2HG2 ILE 19 -24.209 29.929 15.944 150 HG23 ILE 19 3HG2 ILE 19 -24.832 31.562 16.276 151 HD11 ILE 19 3HD1 ILE 19 -20.794 31.915 18.647 152 HD12 ILE 19 1HD1 ILE 19 -21.405 33.522 19.103 153 HD13 ILE 19 2HD1 ILE 19 -22.104 32.062 19.842 154 H PHE 20 H PHE 20 -24.695 32.602 19.763 155 HA PHE 20 HA PHE 20 -27.564 32.458 19.160 156 HB2 PHE 20 1HB PHE 20 -25.764 34.494 20.505 157 HB3 PHE 20 2HB PHE 20 -27.456 34.863 20.102 158 HD1 PHE 20 HD2 PHE 20 -29.252 33.319 21.023 159 HD2 PHE 20 HD1 PHE 20 -25.227 33.397 22.455 160 HE1 PHE 20 HE2 PHE 20 -29.986 32.271 23.139 161 HE2 PHE 20 HE1 PHE 20 -25.958 32.347 24.571 162 HZ PHE 20 HZ PHE 20 -28.337 31.784 24.912 163 H GLU 21 H GLU 21 -28.749 33.740 17.812 164 HA GLU 21 HA GLU 21 -27.644 34.107 15.225 165 HB2 GLU 21 1HB GLU 21 -30.041 33.849 15.750 166 HB3 GLU 21 2HB GLU 21 -30.039 35.487 16.446 167 HG2 GLU 21 1HG GLU 21 -29.402 36.388 14.129 168 HG3 GLU 21 2HG GLU 21 -29.491 34.685 13.619 169 H GLY 22 H GLY 22 -26.313 35.499 14.400 170 HA2 GLY 22 1HA GLY 22 -25.986 37.789 13.693 171 HA3 GLY 22 2HA GLY 22 -26.555 38.338 15.286 172 H MET 23 H MET 23 -24.837 35.945 16.341 173 HA MET 23 HA MET 23 -22.532 37.690 16.929 174 HB2 MET 23 1HB MET 23 -23.299 34.931 17.879 175 HB3 MET 23 2HB MET 23 -21.906 35.873 18.464 176 HG2 MET 23 1HG MET 23 -24.814 36.707 18.708 177 HG3 MET 23 2HG MET 23 -23.858 35.948 20.003 178 HE1 MET 23 3HE MET 23 -21.070 37.205 19.965 179 HE2 MET 23 1HE MET 23 -21.280 38.657 20.975 180 HE3 MET 23 2HE MET 23 -22.078 37.132 21.431 181 HA PRO 24 HA PRO 24 -19.726 35.752 14.170 182 HB2 PRO 24 1HB PRO 24 -17.345 36.376 15.386 183 HB3 PRO 24 2HB PRO 24 -18.328 37.655 14.661 184 HG2 PRO 24 1HG PRO 24 -18.126 36.824 17.574 185 HG3 PRO 24 2HG PRO 24 -18.118 38.451 16.880 186 HD2 PRO 24 1HD PRO 24 -20.395 37.342 17.962 187 HD3 PRO 24 2HD PRO 24 -20.469 38.498 16.626 188 H VAL 25 H VAL 25 -18.445 34.001 13.863 189 HA VAL 25 HA VAL 25 -18.029 32.187 16.217 190 HB VAL 25 HB VAL 25 -19.239 31.300 13.566 191 HG11 VAL 25 1HG1 VAL 25 -19.542 29.153 14.754 192 HG12 VAL 25 2HG1 VAL 25 -17.826 29.618 14.699 193 HG13 VAL 25 3HG1 VAL 25 -18.760 29.841 16.197 194 HG21 VAL 25 3HG2 VAL 25 -20.870 32.607 14.791 195 HG22 VAL 25 1HG2 VAL 25 -21.302 30.881 14.807 196 HG23 VAL 25 2HG2 VAL 25 -20.583 31.631 16.252 197 H THR 26 H THR 26 -16.106 31.468 16.368 198 HA THR 26 HA THR 26 -14.472 31.285 13.857 199 HB THR 26 HB THR 26 -13.510 31.879 16.687 200 HG1 THR 26 HG1 THR 26 -14.045 33.479 14.419 201 HG21 THR 26 1HG2 THR 26 -11.319 32.225 15.598 202 HG22 THR 26 2HG2 THR 26 -11.900 30.561 15.354 203 HG23 THR 26 3HG2 THR 26 -12.020 31.747 14.034 204 H PHE 27 H PHE 27 -13.818 29.387 13.271 205 HA PHE 27 HA PHE 27 -12.995 27.413 15.307 206 HB2 PHE 27 1HB PHE 27 -14.403 25.610 14.246 207 HB3 PHE 27 2HB PHE 27 -15.364 26.838 15.102 208 HD1 PHE 27 HD2 PHE 27 -16.591 28.551 13.818 209 HD2 PHE 27 HD1 PHE 27 -14.653 25.236 11.947 210 HE1 PHE 27 HE2 PHE 27 -17.953 28.905 11.786 211 HE2 PHE 27 HE1 PHE 27 -16.012 25.587 9.912 212 HZ PHE 27 HZ PHE 27 -17.662 27.422 9.832 213 H THR 28 H THR 28 -11.868 25.589 14.423 214 HA THR 28 HA THR 28 -10.764 25.971 11.706 215 HB THR 28 HB THR 28 -9.448 27.572 13.110 216 HG1 THR 28 HG1 THR 28 -7.403 26.644 12.503 217 HG21 THR 28 1HG2 THR 28 -7.938 26.663 14.841 218 HG22 THR 28 2HG2 THR 28 -9.643 26.380 15.266 219 HG23 THR 28 3HG2 THR 28 -8.654 25.050 14.619 220 H CYS 29 H CYS 29 -9.266 24.327 11.074 221 HA CYS 29 HA CYS 29 -9.489 21.766 12.668 222 HB2 CYS 29 1HB CYS 29 -11.377 22.220 10.989 223 HB3 CYS 29 2HB CYS 29 -10.136 22.119 9.717 224 HG CYS 29 HG CYS 29 -11.151 19.894 11.873 225 H ARG 30 H ARG 30 -7.801 20.371 12.358 226 HA ARG 30 HA ARG 30 -5.579 21.346 10.590 227 HB2 ARG 30 1HB ARG 30 -5.122 21.879 12.885 228 HB3 ARG 30 2HB ARG 30 -5.306 20.165 13.318 229 HG2 ARG 30 1HG ARG 30 -3.394 19.585 11.904 230 HG3 ARG 30 2HG ARG 30 -3.221 21.291 11.423 231 HD2 ARG 30 1HD ARG 30 -2.612 21.911 13.628 232 HD3 ARG 30 2HD ARG 30 -2.960 20.274 14.232 233 HE ARG 30 HE ARG 30 -0.762 19.583 13.298 234 HH11 ARG 30 1HH1 ARG 30 -1.519 22.859 12.375 235 HH12 ARG 30 2HH1 ARG 30 0.145 23.113 11.888 236 HH21 ARG 30 1HH2 ARG 30 1.146 19.855 12.737 237 HH22 ARG 30 2HH2 ARG 30 1.666 21.400 12.093 238 H VAL 31 H VAL 31 -4.569 19.945 9.335 239 HA VAL 31 HA VAL 31 -5.503 17.081 9.464 240 HB VAL 31 HB VAL 31 -5.039 18.782 6.978 241 HG11 VAL 31 1HG1 VAL 31 -5.908 16.800 5.784 242 HG12 VAL 31 2HG1 VAL 31 -4.433 16.402 6.696 243 HG13 VAL 31 3HG1 VAL 31 -6.026 15.923 7.328 244 HG21 VAL 31 3HG2 VAL 31 -7.086 19.438 8.095 245 HG22 VAL 31 1HG2 VAL 31 -7.441 18.554 6.593 246 HG23 VAL 31 2HG2 VAL 31 -7.614 17.741 8.166 247 H ALA 32 H ALA 32 -4.039 15.643 9.669 248 HA ALA 32 HA ALA 32 -1.219 16.383 9.215 249 HB1 ALA 32 3HB ALA 32 -2.472 13.818 10.254 250 HB2 ALA 32 1HB ALA 32 -0.732 14.178 10.202 251 HB3 ALA 32 2HB ALA 32 -1.806 15.137 11.243 252 H GLY 33 H GLY 33 -1.875 16.678 6.858 253 HA2 GLY 33 1HA GLY 33 -1.800 14.053 5.427 254 HA3 GLY 33 2HA GLY 33 -2.433 15.576 4.758 255 H ASN 34 H ASN 34 -0.516 13.929 3.463 256 HA ASN 34 HA ASN 34 1.513 16.004 2.996 257 HB2 ASN 34 3HB ASN 34 2.436 14.510 4.913 258 HB3 ASN 34 2HB ASN 34 2.387 13.138 3.832 259 HD21 ASN 34 2HD2 ASN 34 4.682 13.995 5.138 260 HD22 ASN 34 1HD2 ASN 34 5.829 14.512 3.792 261 HA PRO 35 HA PRO 35 2.220 16.917 1.648 262 HB2 PRO 35 1HB PRO 35 0.705 17.866 -0.776 263 HB3 PRO 35 2HB PRO 35 2.414 18.105 -0.384 264 HG2 PRO 35 1HG PRO 35 1.691 16.405 -2.338 265 HG3 PRO 35 2HG PRO 35 3.050 16.016 -1.273 266 HD2 PRO 35 1HD PRO 35 0.172 14.994 -1.128 267 HD3 PRO 35 2HD PRO 35 1.674 14.072 -0.998 268 H LYS 36 H LYS 36 1.218 18.959 2.163 269 HA LYS 36 HA LYS 36 -1.135 18.563 3.725 270 HB2 LYS 36 1HB LYS 36 0.401 20.947 2.769 271 HB3 LYS 36 2HB LYS 36 -1.180 21.165 3.557 272 HG2 LYS 36 1HG LYS 36 0.646 21.419 5.174 273 HG3 LYS 36 2HG LYS 36 -0.355 19.998 5.555 274 HD2 LYS 36 1HD LYS 36 1.331 18.590 4.318 275 HD3 LYS 36 2HD LYS 36 2.362 20.036 4.205 276 HE2 LYS 36 1HE LYS 36 3.077 18.705 6.092 277 HE3 LYS 36 2HE LYS 36 2.334 20.211 6.679 278 HZ1 LYS 36 3HZ LYS 36 1.009 17.578 6.564 279 HZ2 LYS 36 1HZ LYS 36 1.584 18.303 7.929 280 HZ3 LYS 36 2HZ LYS 36 0.319 18.973 7.108 281 HA PRO 37 HA PRO 37 -4.086 18.429 0.438 282 HB2 PRO 37 1HB PRO 37 -5.947 18.674 2.837 283 HB3 PRO 37 2HB PRO 37 -5.991 17.491 1.522 284 HG2 PRO 37 1HG PRO 37 -5.093 16.753 3.926 285 HG3 PRO 37 2HG PRO 37 -4.274 16.168 2.470 286 HD2 PRO 37 1HD PRO 37 -3.395 18.327 4.411 287 HD3 PRO 37 2HD PRO 37 -2.406 17.177 3.507 288 H LYS 38 H LYS 38 -5.425 19.778 -0.610 289 HA LYS 38 HA LYS 38 -5.221 22.613 0.143 290 HB2 LYS 38 1HB LYS 38 -6.658 21.187 -2.102 291 HB3 LYS 38 2HB LYS 38 -6.581 22.953 -1.900 292 HG2 LYS 38 1HG LYS 38 -4.104 22.831 -2.091 293 HG3 LYS 38 2HG LYS 38 -4.240 21.082 -2.397 294 HD2 LYS 38 1HD LYS 38 -5.609 21.539 -4.395 295 HD3 LYS 38 2HD LYS 38 -5.464 23.287 -4.091 296 HE2 LYS 38 1HE LYS 38 -3.032 23.141 -4.351 297 HE3 LYS 38 2HE LYS 38 -3.158 21.388 -4.625 298 HZ1 LYS 38 3HZ LYS 38 -4.328 23.481 -6.345 299 HZ2 LYS 38 1HZ LYS 38 -2.976 22.601 -6.690 300 HZ3 LYS 38 2HZ LYS 38 -4.445 21.856 -6.599 301 H ILE 39 H ILE 39 -6.306 22.162 2.256 302 HA ILE 39 HA ILE 39 -8.872 21.135 2.608 303 HB ILE 39 HB ILE 39 -7.548 23.512 3.989 304 HG12 ILE 39 1HG1 ILE 39 -7.969 20.684 4.919 305 HG13 ILE 39 2HG1 ILE 39 -6.479 21.299 4.166 306 HG21 ILE 39 1HG2 ILE 39 -9.253 23.228 5.757 307 HG22 ILE 39 2HG2 ILE 39 -10.006 23.669 4.207 308 HG23 ILE 39 3HG2 ILE 39 -10.064 21.984 4.776 309 HD11 ILE 39 3HD1 ILE 39 -7.703 22.296 6.764 310 HD12 ILE 39 1HD1 ILE 39 -6.278 21.243 6.622 311 HD13 ILE 39 2HD1 ILE 39 -6.213 22.913 6.010 312 H TYR 40 H TYR 40 -10.743 21.446 1.812 313 HA TYR 40 HA TYR 40 -11.447 24.214 0.895 314 HB2 TYR 40 1HB TYR 40 -12.599 21.528 0.114 315 HB3 TYR 40 2HB TYR 40 -13.176 23.113 -0.455 316 HD1 TYR 40 HD2 TYR 40 -11.389 24.606 -1.651 317 HD2 TYR 40 HD1 TYR 40 -10.992 20.390 -1.147 318 HE1 TYR 40 HE2 TYR 40 -9.753 24.550 -3.502 319 HE2 TYR 40 HE1 TYR 40 -9.351 20.315 -3.001 320 HH TYR 40 HH TYR 40 -8.381 23.253 -4.777 321 H TRP 41 H TRP 41 -13.270 25.205 1.541 322 HA TRP 41 HA TRP 41 -14.892 23.776 3.626 323 HB2 TRP 41 1HB TRP 41 -14.257 26.739 3.299 324 HB3 TRP 41 2HB TRP 41 -15.479 26.098 4.422 325 HD1 TRP 41 HD1 TRP 41 -11.846 26.425 3.874 326 HE1 TRP 41 HE1 TRP 41 -10.524 25.829 6.153 327 HE3 TRP 41 HE3 TRP 41 -15.776 24.631 6.552 328 HZ2 TRP 41 HZ2 TRP 41 -11.215 24.767 8.610 329 HZ3 TRP 41 HZ3 TRP 41 -15.444 23.841 8.813 330 HH2 TRP 41 HH2 TRP 41 -13.230 23.887 9.880 331 H PHE 42 H PHE 42 -17.004 23.558 3.395 332 HA PHE 42 HA PHE 42 -18.492 25.463 1.708 333 HB2 PHE 42 1HB PHE 42 -19.621 23.626 0.427 334 HB3 PHE 42 2HB PHE 42 -17.896 23.789 0.025 335 HD1 PHE 42 HD2 PHE 42 -16.274 22.147 0.851 336 HD2 PHE 42 HD1 PHE 42 -20.483 21.664 1.397 337 HE1 PHE 42 HE2 PHE 42 -15.935 19.743 1.318 338 HE2 PHE 42 HE1 PHE 42 -20.148 19.259 1.869 339 HZ PHE 42 HZ PHE 42 -17.873 18.299 1.829 340 H LYS 43 H LYS 43 -20.650 25.607 2.155 341 HA LYS 43 HA LYS 43 -21.376 24.293 4.754 342 HB2 LYS 43 1HB LYS 43 -21.005 26.776 4.725 343 HB3 LYS 43 2HB LYS 43 -22.394 26.899 3.618 344 HG2 LYS 43 1HG LYS 43 -22.809 25.434 6.187 345 HG3 LYS 43 2HG LYS 43 -22.625 27.201 6.277 346 HD2 LYS 43 1HD LYS 43 -24.395 27.347 4.453 347 HD3 LYS 43 2HD LYS 43 -24.686 25.611 4.724 348 HE2 LYS 43 1HE LYS 43 -24.970 26.252 7.207 349 HE3 LYS 43 2HE LYS 43 -25.118 27.923 6.615 350 HZ1 LYS 43 3HZ LYS 43 -26.829 25.662 5.804 351 HZ2 LYS 43 1HZ LYS 43 -27.263 26.867 6.841 352 HZ3 LYS 43 2HZ LYS 43 -26.966 27.211 5.255 353 H ASP 44 H ASP 44 -22.725 22.699 4.523 354 HA ASP 44 HA ASP 44 -24.416 21.370 3.636 355 HB2 ASP 44 1HB ASP 44 -25.763 24.113 3.264 356 HB3 ASP 44 2HB ASP 44 -26.416 22.474 3.013 357 H GLY 45 H GLY 45 -22.268 22.181 1.863 358 HA2 GLY 45 1HA GLY 45 -21.950 21.250 -0.310 359 HA3 GLY 45 2HA GLY 45 -23.688 21.444 -0.637 360 H LYS 46 H LYS 46 -22.701 24.225 0.846 361 HA LYS 46 HA LYS 46 -22.526 25.639 -1.772 362 HB2 LYS 46 1HB LYS 46 -22.926 26.661 1.045 363 HB3 LYS 46 2HB LYS 46 -22.911 27.653 -0.432 364 HG2 LYS 46 1HG LYS 46 -24.915 26.521 -1.248 365 HG3 LYS 46 2HG LYS 46 -24.912 25.450 0.173 366 HD2 LYS 46 1HD LYS 46 -25.250 27.374 1.650 367 HD3 LYS 46 2HD LYS 46 -25.199 28.473 0.250 368 HE2 LYS 46 1HE LYS 46 -27.173 27.273 -0.693 369 HE3 LYS 46 2HE LYS 46 -27.257 26.313 0.802 370 HZ1 LYS 46 3HZ LYS 46 -27.521 29.246 0.630 371 HZ2 LYS 46 1HZ LYS 46 -28.762 28.183 0.860 372 HZ3 LYS 46 2HZ LYS 46 -27.599 28.357 2.018 373 H GLN 47 H GLN 47 -20.535 25.587 -2.538 374 HA GLN 47 HA GLN 47 -18.142 25.473 -1.055 375 HB2 GLN 47 1HB GLN 47 -18.380 25.116 -3.497 376 HB3 GLN 47 2HB GLN 47 -18.600 26.871 -3.697 377 HG2 GLN 47 1HG GLN 47 -16.072 27.108 -2.729 378 HG3 GLN 47 2HG GLN 47 -16.367 25.355 -2.667 379 HE21 GLN 47 2HE2 GLN 47 -14.167 26.297 -3.984 380 HE22 GLN 47 1HE2 GLN 47 -14.364 26.107 -5.694 381 H ILE 48 H ILE 48 -16.968 26.782 0.105 382 HA ILE 48 HA ILE 48 -17.828 29.656 0.259 383 HB ILE 48 HB ILE 48 -16.244 27.914 2.209 384 HG12 ILE 48 1HG1 ILE 48 -18.972 29.137 2.520 385 HG13 ILE 48 2HG1 ILE 48 -18.667 27.458 2.018 386 HG21 ILE 48 1HG2 ILE 48 -16.370 29.869 3.716 387 HG22 ILE 48 2HG2 ILE 48 -15.485 30.267 2.225 388 HG23 ILE 48 3HG2 ILE 48 -17.168 30.809 2.432 389 HD11 ILE 48 3HD1 ILE 48 -17.821 28.708 4.656 390 HD12 ILE 48 1HD1 ILE 48 -19.184 27.588 4.423 391 HD13 ILE 48 2HD1 ILE 48 -17.516 27.028 4.154 392 H SER 49 H SER 49 -16.717 31.153 -0.615 393 HA SER 49 HA SER 49 -13.891 30.707 -1.468 394 HB2 SER 49 1HB SER 49 -15.287 31.690 -3.011 395 HB3 SER 49 2HB SER 49 -15.770 32.957 -1.860 396 HG SER 49 HG SER 49 -13.567 33.603 -1.815 397 HA PRO 50 HA PRO 50 -12.169 32.500 2.249 398 HB2 PRO 50 1HB PRO 50 -10.013 33.323 0.262 399 HB3 PRO 50 2HB PRO 50 -9.827 32.462 1.796 400 HG2 PRO 50 1HG PRO 50 -9.599 31.116 -0.493 401 HG3 PRO 50 2HG PRO 50 -10.461 30.379 0.864 402 HD2 PRO 50 1HD PRO 50 -11.611 31.691 -1.633 403 HD3 PRO 50 2HD PRO 50 -12.160 30.236 -0.792 404 H LYS 51 H LYS 51 -12.317 34.361 3.200 405 HA LYS 51 HA LYS 51 -12.810 36.614 3.491 406 HB2 LYS 51 1HB LYS 51 -11.301 36.833 0.881 407 HB3 LYS 51 2HB LYS 51 -11.722 38.185 1.959 408 HG2 LYS 51 1HG LYS 51 -10.323 37.202 3.735 409 HG3 LYS 51 2HG LYS 51 -9.895 35.858 2.649 410 HD2 LYS 51 1HD LYS 51 -8.868 37.450 1.078 411 HD3 LYS 51 2HD LYS 51 -9.298 38.797 2.159 412 HE2 LYS 51 1HE LYS 51 -7.883 37.882 3.917 413 HE3 LYS 51 2HE LYS 51 -7.505 36.468 2.907 414 HZ1 LYS 51 3HZ LYS 51 -6.791 39.260 2.282 415 HZ2 LYS 51 1HZ LYS 51 -5.752 38.106 2.836 416 HZ3 LYS 51 2HZ LYS 51 -6.440 37.949 1.345 417 H SER 52 H SER 52 -14.977 35.399 2.783 418 HA SER 52 HA SER 52 -16.211 36.718 0.390 419 HB2 SER 52 1HB SER 52 -16.475 34.359 0.803 420 HB3 SER 52 2HB SER 52 -17.422 34.774 2.250 421 HG SER 52 HG SER 52 -18.755 34.497 0.436 422 H ASP 53 H ASP 53 -18.794 36.863 1.296 423 HA ASP 53 HA ASP 53 -18.919 39.480 2.387 424 HB2 ASP 53 1HB ASP 53 -21.078 37.287 2.312 425 HB3 ASP 53 2HB ASP 53 -21.196 38.966 2.891 426 H HIS 54 H HIS 54 -19.320 36.332 4.004 427 HA HIS 54 HA HIS 54 -18.682 37.709 6.575 428 HB2 HIS 54 1HB HIS 54 -20.997 35.766 6.140 429 HB3 HIS 54 2HB HIS 54 -20.430 36.349 7.724 430 HD2 HIS 54 HD2 HIS 54 -22.958 37.418 4.951 431 HE1 HIS 54 HE1 HIS 54 -22.342 40.694 7.586 432 HE2 HIS 54 HE2 HIS 54 -23.779 39.681 5.631 433 H TYR 55 H TYR 55 -17.915 35.385 4.381 434 HA TYR 55 HA TYR 55 -17.017 33.431 6.470 435 HB2 TYR 55 1HB TYR 55 -17.551 33.091 3.515 436 HB3 TYR 55 2HB TYR 55 -16.866 31.839 4.583 437 HD1 TYR 55 HD1 TYR 55 -18.802 32.960 6.918 438 HD2 TYR 55 HD2 TYR 55 -19.381 31.441 2.978 439 HE1 TYR 55 HE1 TYR 55 -21.085 32.236 7.543 440 HE2 TYR 55 HE2 TYR 55 -21.663 30.710 3.582 441 HH TYR 55 HH TYR 55 -23.356 31.761 6.176 442 H THR 56 H THR 56 -15.095 34.221 7.093 443 HA THR 56 HA THR 56 -13.071 34.756 4.962 444 HB THR 56 HB THR 56 -12.993 35.328 7.954 445 HG1 THR 56 HG1 THR 56 -13.170 37.518 7.188 446 HG21 THR 56 1HG2 THR 56 -10.958 36.619 7.411 447 HG22 THR 56 2HG2 THR 56 -10.757 34.900 6.995 448 HG23 THR 56 3HG2 THR 56 -11.078 36.093 5.715 449 H ILE 57 H ILE 57 -11.562 33.387 4.464 450 HA ILE 57 HA ILE 57 -11.061 31.094 6.344 451 HB ILE 57 HB ILE 57 -10.780 31.254 3.309 452 HG12 ILE 57 1HG1 ILE 57 -12.631 29.594 5.000 453 HG13 ILE 57 2HG1 ILE 57 -13.074 31.096 4.156 454 HG21 ILE 57 1HG2 ILE 57 -10.170 28.864 3.457 455 HG22 ILE 57 2HG2 ILE 57 -9.007 29.877 4.341 456 HG23 ILE 57 3HG2 ILE 57 -10.240 28.955 5.232 457 HD11 ILE 57 3HD1 ILE 57 -12.097 28.538 2.839 458 HD12 ILE 57 1HD1 ILE 57 -13.780 29.113 2.875 459 HD13 ILE 57 2HD1 ILE 57 -12.540 30.041 1.995 460 H GLN 58 H GLN 58 -9.284 31.083 7.390 461 HA GLN 58 HA GLN 58 -6.895 32.384 6.152 462 HB2 GLN 58 1HB GLN 58 -7.438 31.413 8.961 463 HB3 GLN 58 2HB GLN 58 -5.897 32.098 8.393 464 HG2 GLN 58 1HG GLN 58 -8.543 33.780 8.646 465 HG3 GLN 58 2HG GLN 58 -7.064 33.548 9.606 466 HE21 GLN 58 2HE2 GLN 58 -8.571 35.351 7.180 467 HE22 GLN 58 1HE2 GLN 58 -7.177 36.165 6.553 468 H ARG 59 H ARG 59 -5.177 31.314 5.501 469 HA ARG 59 HA ARG 59 -5.316 28.327 5.738 470 HB2 ARG 59 1HB ARG 59 -4.371 29.982 3.441 471 HB3 ARG 59 2HB ARG 59 -4.170 28.222 3.606 472 HG2 ARG 59 1HG ARG 59 -6.572 27.899 3.574 473 HG3 ARG 59 2HG ARG 59 -6.841 29.658 3.561 474 HD2 ARG 59 1HD ARG 59 -5.883 29.824 1.380 475 HD3 ARG 59 2HD ARG 59 -5.483 28.090 1.392 476 HE ARG 59 HE ARG 59 -8.378 28.405 1.593 477 HH11 ARG 59 1HH1 ARG 59 -5.795 28.774 -0.719 478 HH12 ARG 59 2HH1 ARG 59 -6.906 28.415 -2.027 479 HH21 ARG 59 1HH2 ARG 59 -9.665 28.001 0.107 480 HH22 ARG 59 2HH2 ARG 59 -9.114 27.975 -1.557 481 H ASP 60 H ASP 60 -3.942 27.758 7.265 482 HA ASP 60 HA ASP 60 -1.183 28.871 7.192 483 HB2 ASP 60 1HB ASP 60 -2.420 28.483 9.448 484 HB3 ASP 60 2HB ASP 60 -2.390 26.790 8.899 485 H LEU 61 H LEU 61 0.395 27.985 6.129 486 HA LEU 61 HA LEU 61 -0.158 25.700 4.444 487 HB2 LEU 61 1HB LEU 61 2.279 27.189 5.170 488 HB3 LEU 61 2HB LEU 61 2.350 25.987 3.862 489 HG LEU 61 HG LEU 61 0.717 28.554 3.890 490 HD11 LEU 61 1HD1 LEU 61 2.218 29.208 1.989 491 HD12 LEU 61 2HD1 LEU 61 3.150 28.900 3.473 492 HD13 LEU 61 3HD1 LEU 61 3.102 27.675 2.182 493 HD21 LEU 61 3HD2 LEU 61 -0.487 26.776 2.764 494 HD22 LEU 61 1HD2 LEU 61 0.096 27.963 1.572 495 HD23 LEU 61 2HD2 LEU 61 0.937 26.405 1.764 496 H ASP 62 H ASP 62 0.853 25.938 7.662 497 HA ASP 62 HA ASP 62 2.513 23.586 7.820 498 HB2 ASP 62 1HB ASP 62 2.045 25.500 9.655 499 HB3 ASP 62 2HB ASP 62 0.629 24.446 9.893 500 H GLY 63 H GLY 63 -0.891 24.040 7.434 501 HA2 GLY 63 1HA GLY 63 -1.957 21.961 6.479 502 HA3 GLY 63 2HA GLY 63 -1.270 21.102 7.878 503 H THR 64 H THR 64 -2.299 24.310 8.514 504 HA THR 64 HA THR 64 -4.902 23.298 9.619 505 HB THR 64 HB THR 64 -3.146 25.540 10.706 506 HG1 THR 64 HG1 THR 64 -2.909 24.034 12.473 507 HG21 THR 64 1HG2 THR 64 -4.755 25.542 12.580 508 HG22 THR 64 2HG2 THR 64 -5.566 25.918 11.040 509 HG23 THR 64 3HG2 THR 64 -5.720 24.296 11.755 510 H CYS 65 H CYS 65 -6.722 24.351 9.217 511 HA CYS 65 HA CYS 65 -6.574 27.018 7.782 512 HB2 CYS 65 1HB CYS 65 -6.784 24.900 6.334 513 HB3 CYS 65 2HB CYS 65 -8.375 24.665 7.097 514 HG CYS 65 HG CYS 65 -7.320 27.279 5.446 515 H SER 66 H SER 66 -8.097 28.449 8.426 516 HA SER 66 HA SER 66 -10.041 27.563 10.582 517 HB2 SER 66 1HB SER 66 -8.274 28.681 11.561 518 HB3 SER 66 2HB SER 66 -8.432 30.038 10.424 519 HG SER 66 HG SER 66 -9.486 30.426 12.419 520 H LEU 67 H LEU 67 -12.112 28.137 10.309 521 HA LEU 67 HA LEU 67 -12.753 30.134 8.162 522 HB2 LEU 67 1HB LEU 67 -13.398 28.048 7.536 523 HB3 LEU 67 2HB LEU 67 -14.265 27.618 9.029 524 HG LEU 67 HG LEU 67 -15.874 29.488 8.543 525 HD11 LEU 67 1HD1 LEU 67 -15.938 30.358 6.190 526 HD12 LEU 67 2HD1 LEU 67 -14.408 30.781 6.995 527 HD13 LEU 67 3HD1 LEU 67 -14.459 29.439 5.827 528 HD21 LEU 67 3HD2 LEU 67 -16.450 27.183 8.059 529 HD22 LEU 67 1HD2 LEU 67 -17.127 28.253 6.808 530 HD23 LEU 67 2HD2 LEU 67 -15.669 27.292 6.463 531 H HIS 68 H HIS 68 -13.521 31.964 8.812 532 HA HIS 68 HA HIS 68 -14.880 32.051 11.484 533 HB2 HIS 68 1HB HIS 68 -12.815 33.351 11.526 534 HB3 HIS 68 2HB HIS 68 -13.270 34.189 10.023 535 HD2 HIS 68 HD2 HIS 68 -14.581 36.638 10.479 536 HE1 HIS 68 HE1 HIS 68 -15.585 35.810 14.523 537 HE2 HIS 68 HE2 HIS 68 -15.598 37.566 12.567 538 H THR 69 H THR 69 -16.944 32.430 11.527 539 HA THR 69 HA THR 69 -18.205 33.848 9.220 540 HB THR 69 HB THR 69 -19.461 32.420 11.604 541 HG1 THR 69 HG1 THR 69 -20.077 30.931 9.887 542 HG21 THR 69 1HG2 THR 69 -21.573 32.697 10.354 543 HG22 THR 69 2HG2 THR 69 -20.853 34.276 10.751 544 HG23 THR 69 3HG2 THR 69 -20.712 33.623 9.103 545 H THR 70 H THR 70 -18.474 35.917 9.263 546 HA THR 70 HA THR 70 -17.819 37.496 11.579 547 HB THR 70 HB THR 70 -19.313 38.263 9.034 548 HG1 THR 70 HG1 THR 70 -17.206 39.080 8.477 549 HG21 THR 70 1HG2 THR 70 -18.681 40.575 9.631 550 HG22 THR 70 2HG2 THR 70 -19.724 39.853 10.881 551 HG23 THR 70 3HG2 THR 70 -17.971 39.988 11.153 552 H ALA 71 H ALA 71 -20.933 36.575 10.125 553 HA ALA 71 HA ALA 71 -22.231 37.258 12.699 554 HB1 ALA 71 3HB ALA 71 -23.124 38.387 10.026 555 HB2 ALA 71 1HB ALA 71 -24.006 38.535 11.565 556 HB3 ALA 71 2HB ALA 71 -22.419 39.310 11.369 557 H SER 72 H SER 72 -22.531 35.072 13.028 558 HA SER 72 HA SER 72 -23.716 33.288 11.020 559 HB2 SER 72 1HB SER 72 -22.176 32.485 12.577 560 HB3 SER 72 2HB SER 72 -23.261 32.919 13.917 561 HG SER 72 HG SER 72 -23.845 31.110 11.810 562 H THR 73 H THR 73 -25.771 33.774 10.377 563 HA THR 73 HA THR 73 -27.808 34.275 12.513 564 HB THR 73 HB THR 73 -29.242 35.162 10.766 565 HG1 THR 73 HG1 THR 73 -27.109 34.434 9.004 566 HG21 THR 73 1HG2 THR 73 -27.911 37.116 10.051 567 HG22 THR 73 2HG2 THR 73 -27.595 36.716 11.756 568 HG23 THR 73 3HG2 THR 73 -26.416 36.264 10.502 569 H LEU 74 H LEU 74 -30.080 33.521 11.618 570 HA LEU 74 HA LEU 74 -30.029 30.671 11.906 571 HB2 LEU 74 1HB LEU 74 -32.030 32.593 10.932 572 HB3 LEU 74 2HB LEU 74 -32.518 30.905 11.212 573 HG LEU 74 HG LEU 74 -31.497 32.861 13.309 574 HD11 LEU 74 1HD1 LEU 74 -33.824 32.689 14.230 575 HD12 LEU 74 2HD1 LEU 74 -33.831 33.329 12.569 576 HD13 LEU 74 3HD1 LEU 74 -34.266 31.629 12.871 577 HD21 LEU 74 3HD2 LEU 74 -30.784 30.592 13.785 578 HD22 LEU 74 1HD2 LEU 74 -32.047 31.087 14.938 579 HD23 LEU 74 2HD2 LEU 74 -32.450 29.997 13.588 580 H ASP 75 H ASP 75 -29.927 32.738 9.097 581 HA ASP 75 HA ASP 75 -30.411 30.542 7.213 582 HB2 ASP 75 1HB ASP 75 -29.317 33.389 6.795 583 HB3 ASP 75 2HB ASP 75 -29.518 32.073 5.613 584 H ASP 76 H ASP 76 -27.728 31.720 9.025 585 HA ASP 76 HA ASP 76 -25.781 30.315 7.275 586 HB2 ASP 76 1HB ASP 76 -25.284 31.873 9.882 587 HB3 ASP 76 2HB ASP 76 -24.165 31.070 8.753 588 H ASP 77 H ASP 77 -27.797 29.644 9.924 589 HA ASP 77 HA ASP 77 -26.287 27.602 11.235 590 HB2 ASP 77 1HB ASP 77 -28.581 28.527 12.008 591 HB3 ASP 77 2HB ASP 77 -29.161 27.646 10.573 592 H GLY 78 H GLY 78 -25.565 25.717 10.667 593 HA2 GLY 78 1HA GLY 78 -26.754 23.712 9.218 594 HA3 GLY 78 2HA GLY 78 -26.055 24.752 7.955 595 H ASN 79 H ASN 79 -24.767 22.826 7.452 596 HA ASN 79 HA ASN 79 -22.624 22.242 9.467 597 HB2 ASN 79 1HB ASN 79 -23.367 20.354 7.115 598 HB3 ASN 79 2HB ASN 79 -22.227 20.404 8.481 599 HD21 ASN 79 2HD2 ASN 79 -25.292 19.492 7.411 600 HD22 ASN 79 1HD2 ASN 79 -25.972 19.038 8.939 601 H TYR 80 H TYR 80 -20.910 23.439 9.175 602 HA TYR 80 HA TYR 80 -20.043 24.227 6.469 603 HB2 TYR 80 1HB TYR 80 -18.847 24.633 9.219 604 HB3 TYR 80 2HB TYR 80 -18.154 25.265 7.705 605 HD1 TYR 80 HD1 TYR 80 -21.186 25.422 9.877 606 HD2 TYR 80 HD2 TYR 80 -18.909 27.316 6.809 607 HE1 TYR 80 HE1 TYR 80 -22.621 27.432 10.063 608 HE2 TYR 80 HE2 TYR 80 -20.329 29.331 6.983 609 HH TYR 80 HH TYR 80 -23.273 29.407 8.804 610 H THR 81 H THR 81 -19.894 21.955 5.761 611 HA THR 81 HA THR 81 -18.029 20.154 7.024 612 HB THR 81 HB THR 81 -19.103 20.127 4.169 613 HG1 THR 81 HG1 THR 81 -20.623 18.637 5.110 614 HG21 THR 81 1HG2 THR 81 -18.577 17.715 4.265 615 HG22 THR 81 2HG2 THR 81 -17.111 18.699 4.492 616 HG23 THR 81 3HG2 THR 81 -17.892 17.928 5.893 617 H ILE 82 H ILE 82 -15.952 19.801 6.817 618 HA ILE 82 HA ILE 82 -14.467 21.390 4.738 619 HB ILE 82 HB ILE 82 -13.609 22.105 6.829 620 HG12 ILE 82 1HG1 ILE 82 -11.918 19.755 6.016 621 HG13 ILE 82 2HG1 ILE 82 -11.911 21.364 5.257 622 HG21 ILE 82 1HG2 ILE 82 -13.094 20.561 8.690 623 HG22 ILE 82 2HG2 ILE 82 -14.810 20.461 8.232 624 HG23 ILE 82 3HG2 ILE 82 -13.676 19.191 7.715 625 HD11 ILE 82 3HD1 ILE 82 -11.158 20.752 8.137 626 HD12 ILE 82 1HD1 ILE 82 -10.021 21.107 6.817 627 HD13 ILE 82 2HD1 ILE 82 -11.151 22.362 7.378 628 H MET 83 H MET 83 -13.078 20.510 3.393 629 HA MET 83 HA MET 83 -12.855 17.516 3.486 630 HB2 MET 83 1HB MET 83 -14.464 18.195 1.795 631 HB3 MET 83 2HB MET 83 -13.272 19.315 1.093 632 HG2 MET 83 1HG MET 83 -11.849 17.450 0.453 633 HG3 MET 83 2HG MET 83 -12.956 16.301 1.240 634 HE1 MET 83 3HE MET 83 -12.216 18.535 -1.852 635 HE2 MET 83 1HE MET 83 -13.792 18.622 -2.677 636 HE3 MET 83 2HE MET 83 -13.555 19.451 -1.118 637 H ALA 84 H ALA 84 -10.889 16.853 3.728 638 HA ALA 84 HA ALA 84 -8.652 18.624 2.934 639 HB1 ALA 84 3HB ALA 84 -8.673 15.979 4.427 640 HB2 ALA 84 1HB ALA 84 -7.243 16.999 4.135 641 HB3 ALA 84 2HB ALA 84 -8.570 17.594 5.160 642 H ALA 85 H ALA 85 -8.843 18.502 0.687 643 HA ALA 85 HA ALA 85 -8.539 15.814 -0.528 644 HB1 ALA 85 3HB ALA 85 -9.098 18.515 -1.793 645 HB2 ALA 85 1HB ALA 85 -9.046 16.959 -2.649 646 HB3 ALA 85 2HB ALA 85 -10.305 17.260 -1.430 647 H ASN 86 H ASN 86 -6.618 15.047 -0.945 648 HA ASN 86 HA ASN 86 -4.642 16.862 -2.242 649 HB2 ASN 86 1HB ASN 86 -2.844 16.412 -0.623 650 HB3 ASN 86 2HB ASN 86 -4.453 16.523 0.130 651 HD21 ASN 86 2HD2 ASN 86 -2.284 15.330 1.367 652 HD22 ASN 86 1HD2 ASN 86 -2.591 13.631 1.528 653 HA PRO 87 HA PRO 87 -3.601 13.777 -5.032 654 HB2 PRO 87 1HB PRO 87 -0.849 13.347 -3.797 655 HB3 PRO 87 2HB PRO 87 -1.257 13.759 -5.469 656 HG2 PRO 87 1HG PRO 87 -0.269 15.645 -3.868 657 HG3 PRO 87 2HG PRO 87 -1.594 16.051 -4.967 658 HD2 PRO 87 1HD PRO 87 -1.699 15.530 -1.970 659 HD3 PRO 87 2HD PRO 87 -2.586 16.729 -2.919 660 H GLN 88 H GLN 88 -3.111 12.973 -1.691 661 HA GLN 88 HA GLN 88 -2.862 10.083 -2.354 662 HB2 GLN 88 1HB GLN 88 -2.779 11.518 0.309 663 HB3 GLN 88 2HB GLN 88 -2.415 9.800 0.017 664 HG2 GLN 88 1HG GLN 88 -0.552 12.171 -0.857 665 HG3 GLN 88 2HG GLN 88 -0.557 10.868 0.354 666 HE21 GLN 88 2HE2 GLN 88 0.523 11.806 -2.670 667 HE22 GLN 88 1HE2 GLN 88 0.908 10.249 -3.322 668 H GLY 89 H GLY 89 -5.339 12.144 -2.139 669 HA2 GLY 89 1HA GLY 89 -7.512 10.818 -2.355 670 HA3 GLY 89 2HA GLY 89 -7.094 10.151 -0.760 671 H ARG 90 H ARG 90 -9.364 11.114 -0.456 672 HA ARG 90 HA ARG 90 -9.036 13.813 0.753 673 HB2 ARG 90 1HB ARG 90 -10.982 14.706 -0.181 674 HB3 ARG 90 2HB ARG 90 -9.818 14.270 -1.452 675 HG2 ARG 90 1HG ARG 90 -11.129 12.245 -1.949 676 HG3 ARG 90 2HG ARG 90 -12.300 12.701 -0.688 677 HD2 ARG 90 1HD ARG 90 -12.781 14.748 -1.954 678 HD3 ARG 90 2HD ARG 90 -11.707 14.157 -3.242 679 HE ARG 90 HE ARG 90 -13.822 12.202 -2.842 680 HH11 ARG 90 1HH1 ARG 90 -13.412 15.445 -4.056 681 HH12 ARG 90 2HH1 ARG 90 -14.760 15.212 -5.150 682 HH21 ARG 90 1HH2 ARG 90 -15.373 11.922 -4.084 683 HH22 ARG 90 2HH2 ARG 90 -15.880 13.204 -5.167 684 H VAL 91 H VAL 91 -10.515 14.337 2.354 685 HA VAL 91 HA VAL 91 -12.540 12.347 3.191 686 HB VAL 91 HB VAL 91 -10.488 11.402 4.215 687 HG11 VAL 91 1HG1 VAL 91 -9.259 12.715 5.911 688 HG12 VAL 91 2HG1 VAL 91 -9.150 13.478 4.307 689 HG13 VAL 91 3HG1 VAL 91 -10.258 14.139 5.533 690 HG21 VAL 91 3HG2 VAL 91 -12.598 11.209 5.390 691 HG22 VAL 91 1HG2 VAL 91 -11.252 11.404 6.536 692 HG23 VAL 91 2HG2 VAL 91 -12.324 12.780 6.181 693 H SER 92 H SER 92 -14.114 13.121 4.406 694 HA SER 92 HA SER 92 -14.145 16.137 4.634 695 HB2 SER 92 1HB SER 92 -16.422 16.058 4.388 696 HB3 SER 92 2HB SER 92 -15.621 15.221 3.040 697 HG SER 92 HG SER 92 -17.441 14.082 3.837 698 H CYS 93 H CYS 93 -15.204 17.071 6.430 699 HA CYS 93 HA CYS 93 -16.041 15.296 8.709 700 HB2 CYS 93 1HB CYS 93 -13.628 15.790 8.939 701 HB3 CYS 93 2HB CYS 93 -13.966 17.529 8.772 702 HG CYS 93 HG CYS 93 -15.005 15.469 11.084 703 H THR 94 H THR 94 -17.767 16.108 9.768 704 HA THR 94 HA THR 94 -19.163 18.325 8.488 705 HB THR 94 HB THR 94 -19.871 16.774 11.014 706 HG1 THR 94 HG1 THR 94 -21.232 15.613 9.526 707 HG21 THR 94 1HG2 THR 94 -22.162 17.572 10.547 708 HG22 THR 94 2HG2 THR 94 -21.049 18.937 10.805 709 HG23 THR 94 3HG2 THR 94 -21.556 18.500 9.156 710 H GLY 95 H GLY 95 -19.234 20.371 8.960 711 HA2 GLY 95 1HA GLY 95 -17.973 21.260 11.512 712 HA3 GLY 95 2HA GLY 95 -18.197 22.259 10.056 713 H ARG 96 H ARG 96 -20.293 20.243 12.165 714 HA ARG 96 HA ARG 96 -22.679 21.675 11.646 715 HB2 ARG 96 1HB ARG 96 -22.596 19.477 12.642 716 HB3 ARG 96 2HB ARG 96 -21.969 20.195 14.144 717 HG2 ARG 96 1HG ARG 96 -24.022 21.435 14.469 718 HG3 ARG 96 2HG ARG 96 -24.645 20.883 12.895 719 HD2 ARG 96 1HD ARG 96 -24.642 18.591 13.739 720 HD3 ARG 96 2HD ARG 96 -24.117 19.204 15.325 721 HE ARG 96 HE ARG 96 -26.671 20.433 14.605 722 HH11 ARG 96 1HH1 ARG 96 -25.347 17.380 15.647 723 HH12 ARG 96 2HH1 ARG 96 -26.867 16.978 16.423 724 HH21 ARG 96 1HH2 ARG 96 -28.420 19.985 15.482 725 HH22 ARG 96 2HH2 ARG 96 -28.620 18.463 16.329 726 H LEU 97 H LEU 97 -23.050 23.736 11.872 727 HA LEU 97 HA LEU 97 -22.490 24.894 14.578 728 HB2 LEU 97 1HB LEU 97 -21.076 25.887 13.139 729 HB3 LEU 97 2HB LEU 97 -22.240 26.225 11.839 730 HG LEU 97 HG LEU 97 -23.436 27.774 13.423 731 HD11 LEU 97 1HD1 LEU 97 -22.146 28.575 15.420 732 HD12 LEU 97 2HD1 LEU 97 -22.515 26.839 15.542 733 HD13 LEU 97 3HD1 LEU 97 -20.884 27.372 15.069 734 HD21 LEU 97 3HD2 LEU 97 -21.955 28.632 11.707 735 HD22 LEU 97 1HD2 LEU 97 -21.814 29.622 13.179 736 HD23 LEU 97 2HD2 LEU 97 -20.549 28.435 12.780 737 H MET 98 H MET 98 -24.280 24.990 15.668 738 HA MET 98 HA MET 98 -26.838 25.508 14.213 739 HB2 MET 98 1HB MET 98 -26.289 24.668 17.060 740 HB3 MET 98 2HB MET 98 -27.893 24.860 16.313 741 HG2 MET 98 1HG MET 98 -25.775 22.860 15.464 742 HG3 MET 98 2HG MET 98 -27.193 22.490 16.474 743 HE1 MET 98 3HE MET 98 -29.543 24.093 15.224 744 HE2 MET 98 1HE MET 98 -30.179 22.941 14.024 745 HE3 MET 98 2HE MET 98 -29.645 22.359 15.621 746 H VAL 99 H VAL 99 -28.165 27.179 14.602 747 HA VAL 99 HA VAL 99 -27.015 29.408 16.281 748 HB VAL 99 HB VAL 99 -28.615 29.616 13.696 749 HG11 VAL 99 1HG1 VAL 99 -28.131 32.032 13.899 750 HG12 VAL 99 2HG1 VAL 99 -29.060 31.445 15.300 751 HG13 VAL 99 3HG1 VAL 99 -27.310 31.737 15.451 752 HG21 VAL 99 3HG2 VAL 99 -26.360 28.848 13.253 753 HG22 VAL 99 1HG2 VAL 99 -26.571 30.531 12.717 754 HG23 VAL 99 2HG2 VAL 99 -25.694 30.182 14.226 755 H GLN 100 H GLN 100 -28.112 30.035 17.907 756 HA GLN 100 HA GLN 100 -31.017 29.347 18.008 757 HB2 GLN 100 1HB GLN 100 -29.566 28.616 19.862 758 HB3 GLN 100 2HB GLN 100 -29.124 30.314 20.159 759 HG2 GLN 100 1HG GLN 100 -31.721 30.708 20.790 760 HG3 GLN 100 2HG GLN 100 -31.702 29.009 20.266 761 HE21 GLN 100 2HE2 GLN 100 -32.657 29.982 22.781 762 HE22 GLN 100 1HE2 GLN 100 -31.652 29.306 24.020 763 H ALA 101 H ALA 101 -32.533 30.769 17.737 764 HA ALA 101 HA ALA 101 -31.987 33.484 17.065 765 HB1 ALA 101 3HB ALA 101 -34.571 32.223 18.045 766 HB2 ALA 101 1HB ALA 101 -34.425 33.806 17.249 767 HB3 ALA 101 2HB ALA 101 -34.027 32.318 16.354 768 H VAL 102 H VAL 102 -31.431 35.150 18.228 769 HA VAL 102 HA VAL 102 -31.871 35.057 21.199 770 HB VAL 102 HB VAL 102 -29.534 35.403 20.526 771 HG11 VAL 102 1HG1 VAL 102 -28.893 37.410 19.233 772 HG12 VAL 102 2HG1 VAL 102 -29.950 36.344 18.278 773 HG13 VAL 102 3HG1 VAL 102 -30.609 37.821 19.019 774 HG21 VAL 102 3HG2 VAL 102 -30.328 36.517 22.526 775 HG22 VAL 102 1HG2 VAL 102 -29.110 37.509 21.686 776 HG23 VAL 102 2HG2 VAL 102 -30.836 37.926 21.561 777 H ASN 103 H ASN 103 -33.834 35.731 21.619 778 HA ASN 103 HA ASN 103 -35.050 37.938 20.137 779 HB2 ASN 103 1HB ASN 103 -36.155 36.529 22.676 780 HB3 ASN 103 2HB ASN 103 -36.649 37.905 21.661 781 HD21 ASN 103 2HD2 ASN 103 -37.879 35.257 22.214 782 HD22 ASN 103 1HD2 ASN 103 -38.167 34.560 20.655 783 H GLN 104 H GLN 104 -32.760 37.811 22.581 784 HA GLN 104 HA GLN 104 -33.616 40.302 23.910 785 HB2 GLN 104 1HB GLN 104 -31.050 38.701 24.080 786 HB3 GLN 104 2HB GLN 104 -31.490 40.083 25.112 787 HG2 GLN 104 1HG GLN 104 -32.877 37.267 25.261 788 HG3 GLN 104 2HG GLN 104 -31.726 38.221 26.227 789 HE21 GLN 104 2HE2 GLN 104 -34.907 37.324 25.916 790 HE22 GLN 104 1HE2 GLN 104 -35.659 38.620 26.787 791 H ARG 105 H ARG 105 -32.091 39.523 21.032 792 HA ARG 105 HA ARG 105 -30.256 41.782 20.904 793 HB2 ARG 105 1HB ARG 105 -29.941 39.814 19.566 794 HB3 ARG 105 2HB ARG 105 -31.447 40.173 18.690 795 HG2 ARG 105 1HG ARG 105 -30.471 42.285 17.886 796 HG3 ARG 105 2HG ARG 105 -28.960 41.910 18.750 797 HD2 ARG 105 1HD ARG 105 -30.142 40.252 16.547 798 HD3 ARG 105 2HD ARG 105 -28.878 41.486 16.340 799 HE ARG 105 HE ARG 105 -28.368 38.758 17.349 800 HH11 ARG 105 1HH1 ARG 105 -27.195 42.042 17.369 801 HH12 ARG 105 2HH1 ARG 105 -25.592 41.474 17.789 802 HH21 ARG 105 1HH2 ARG 105 -26.535 38.091 17.823 803 HH22 ARG 105 2HH2 ARG 105 -25.214 39.220 18.048 804 H GLY 106 H GLY 106 -30.716 43.820 20.787 805 HA2 GLY 106 1HA GLY 106 -33.440 44.724 20.429 806 HA3 GLY 106 2HA GLY 106 -31.990 45.746 20.600 807 H ARG 107 H ARG 107 -30.821 44.058 18.289 808 HA ARG 107 HA ARG 107 -31.879 45.818 16.146 809 HB2 ARG 107 1HB ARG 107 -29.514 43.999 16.201 810 HB3 ARG 107 2HB ARG 107 -30.045 44.980 14.815 811 HG2 ARG 107 1HG ARG 107 -29.689 47.027 16.117 812 HG3 ARG 107 2HG ARG 107 -29.183 46.054 17.520 813 HD2 ARG 107 1HD ARG 107 -27.293 45.224 16.233 814 HD3 ARG 107 2HD ARG 107 -27.790 46.253 14.869 815 HE ARG 107 HE ARG 107 -27.299 48.024 17.076 816 HH11 ARG 107 1HH1 ARG 107 -25.447 45.729 15.216 817 HH12 ARG 107 2HH1 ARG 107 -23.998 46.681 15.474 818 HH21 ARG 107 1HH2 ARG 107 -25.647 49.120 17.388 819 HH22 ARG 107 2HH2 ARG 107 -24.110 48.614 16.713 820 H SER 108 H SER 108 -32.676 42.869 17.394 821 HA SER 108 HA SER 108 -33.052 41.233 15.011 822 HB2 SER 108 1HB SER 108 -32.864 40.265 17.115 823 HB3 SER 108 2HB SER 108 -34.326 41.106 17.678 824 HG SER 108 HG SER 108 -34.749 38.971 16.966 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -5.986 6.334 -1.635 2 H2 GLY 1 2H GLY 1 -5.601 6.639 -0.219 3 H3 GLY 1 3H GLY 1 -4.965 7.394 -1.349 4 HA2 GLY 1 1HA GLY 1 -3.939 5.022 -0.173 5 HA3 GLY 1 2HA GLY 1 -4.397 4.659 -1.853 6 H GLY 2 H GLY 2 -2.624 4.619 -3.063 7 HA2 GLY 2 1HA GLY 2 -0.845 5.568 -4.257 8 HA3 GLY 2 2HA GLY 2 -0.954 7.022 -3.237 9 H SER 3 H SER 3 1.418 6.871 -3.269 10 HA SER 3 HA SER 3 2.430 5.359 -0.892 11 HB2 SER 3 1HB SER 3 4.100 4.210 -1.943 12 HB3 SER 3 2HB SER 3 2.530 3.736 -2.632 13 HG SER 3 HG SER 3 4.140 4.054 -4.229 14 H ASN 4 H ASN 4 4.639 5.982 -0.387 15 HA ASN 4 HA ASN 4 6.252 7.605 0.010 16 HB2 ASN 4 1HB ASN 4 5.919 8.401 -2.982 17 HB3 ASN 4 2HB ASN 4 6.979 8.863 -1.626 18 HD21 ASN 4 2HD2 ASN 4 7.315 7.433 -4.300 19 HD22 ASN 4 1HD2 ASN 4 8.252 6.032 -3.901 20 H ALA 5 H ALA 5 3.573 8.176 0.750 21 HA ALA 5 HA ALA 5 3.830 11.025 1.182 22 HB1 ALA 5 3HB ALA 5 1.591 10.071 -0.634 23 HB2 ALA 5 1HB ALA 5 1.749 11.704 0.048 24 HB3 ALA 5 2HB ALA 5 2.958 11.105 -1.110 25 H THR 6 H THR 6 2.098 11.914 2.498 26 HA THR 6 HA THR 6 0.822 9.766 4.157 27 HB THR 6 HB THR 6 1.465 12.655 4.869 28 HG1 THR 6 HG1 THR 6 2.988 11.603 6.279 29 HG21 THR 6 1HG2 THR 6 0.786 11.985 7.147 30 HG22 THR 6 2HG2 THR 6 -0.561 11.804 5.999 31 HG23 THR 6 3HG2 THR 6 0.343 10.372 6.541 32 H ALA 7 H ALA 7 -1.226 9.427 3.943 33 HA ALA 7 HA ALA 7 -2.843 11.086 2.238 34 HB1 ALA 7 3HB ALA 7 -3.653 8.879 4.161 35 HB2 ALA 7 1HB ALA 7 -4.681 9.580 2.893 36 HB3 ALA 7 2HB ALA 7 -3.218 8.670 2.449 37 HA PRO 8 HA PRO 8 -4.520 14.161 4.864 38 HB2 PRO 8 1HB PRO 8 -7.212 13.370 3.687 39 HB3 PRO 8 2HB PRO 8 -6.457 14.968 3.737 40 HG2 PRO 8 1HG PRO 8 -6.515 13.621 1.436 41 HG3 PRO 8 2HG PRO 8 -5.056 14.518 1.880 42 HD2 PRO 8 1HD PRO 8 -5.570 11.520 2.046 43 HD3 PRO 8 2HD PRO 8 -4.099 12.367 1.551 44 H PHE 9 H PHE 9 -4.999 14.201 6.879 45 HA PHE 9 HA PHE 9 -7.116 12.461 7.965 46 HB2 PHE 9 1HB PHE 9 -5.207 10.927 8.097 47 HB3 PHE 9 2HB PHE 9 -4.219 12.181 8.878 48 HD1 PHE 9 HD1 PHE 9 -7.223 10.055 9.302 49 HD2 PHE 9 HD2 PHE 9 -4.254 12.489 11.175 50 HE1 PHE 9 HE1 PHE 9 -7.981 9.268 11.520 51 HE2 PHE 9 HE2 PHE 9 -5.007 11.702 13.396 52 HZ PHE 9 HZ PHE 9 -6.873 10.092 13.567 53 H PHE 10 H PHE 10 -8.291 13.633 9.235 54 HA PHE 10 HA PHE 10 -7.403 16.228 10.189 55 HB2 PHE 10 1HB PHE 10 -9.865 14.540 10.798 56 HB3 PHE 10 2HB PHE 10 -9.604 16.182 11.427 57 HD1 PHE 10 HD2 PHE 10 -9.219 18.038 9.705 58 HD2 PHE 10 HD1 PHE 10 -10.890 14.218 8.773 59 HE1 PHE 10 HE2 PHE 10 -10.238 18.984 7.660 60 HE2 PHE 10 HE1 PHE 10 -11.906 15.160 6.726 61 HZ PHE 10 HZ PHE 10 -11.580 17.544 6.170 62 H GLU 11 H GLU 11 -5.505 15.793 11.338 63 HA GLU 11 HA GLU 11 -5.471 14.221 13.752 64 HB2 GLU 11 1HB GLU 11 -3.449 15.342 14.265 65 HB3 GLU 11 2HB GLU 11 -3.474 15.005 12.517 66 HG2 GLU 11 1HG GLU 11 -4.105 17.440 12.109 67 HG3 GLU 11 2HG GLU 11 -4.070 17.597 13.880 68 H MET 12 H MET 12 -6.766 17.351 13.004 69 HA MET 12 HA MET 12 -7.908 17.331 15.761 70 HB2 MET 12 1HB MET 12 -6.070 18.951 15.720 71 HB3 MET 12 2HB MET 12 -6.830 19.761 14.329 72 HG2 MET 12 1HG MET 12 -8.779 20.315 15.713 73 HG3 MET 12 2HG MET 12 -8.030 19.497 17.103 74 HE1 MET 12 3HE MET 12 -8.284 22.695 14.962 75 HE2 MET 12 1HE MET 12 -6.749 23.542 15.273 76 HE3 MET 12 2HE MET 12 -6.759 22.042 14.312 77 H LYS 13 H LYS 13 -9.993 17.114 15.612 78 HA LYS 13 HA LYS 13 -11.260 17.803 12.999 79 HB2 LYS 13 1HB LYS 13 -12.144 16.006 15.263 80 HB3 LYS 13 2HB LYS 13 -13.060 16.307 13.767 81 HG2 LYS 13 1HG LYS 13 -11.236 15.307 12.449 82 HG3 LYS 13 2HG LYS 13 -10.323 15.002 13.946 83 HD2 LYS 13 1HD LYS 13 -12.093 13.520 14.752 84 HD3 LYS 13 2HD LYS 13 -13.063 13.863 13.301 85 HE2 LYS 13 1HE LYS 13 -11.277 12.899 11.896 86 HE3 LYS 13 2HE LYS 13 -10.342 12.524 13.361 87 HZ1 LYS 13 3HZ LYS 13 -12.999 11.429 12.697 88 HZ2 LYS 13 1HZ LYS 13 -11.570 10.616 12.577 89 HZ3 LYS 13 2HZ LYS 13 -12.131 11.081 14.057 90 H LEU 14 H LEU 14 -13.532 18.483 13.036 91 HA LEU 14 HA LEU 14 -13.859 20.728 14.914 92 HB2 LEU 14 1HB LEU 14 -15.494 19.597 12.739 93 HB3 LEU 14 2HB LEU 14 -15.971 21.127 13.513 94 HG LEU 14 HG LEU 14 -13.456 20.627 11.873 95 HD11 LEU 14 1HD1 LEU 14 -14.491 22.272 10.287 96 HD12 LEU 14 2HD1 LEU 14 -15.530 20.846 10.506 97 HD13 LEU 14 3HD1 LEU 14 -15.920 22.368 11.342 98 HD21 LEU 14 3HD2 LEU 14 -13.015 22.160 13.698 99 HD22 LEU 14 1HD2 LEU 14 -13.025 23.043 12.153 100 HD23 LEU 14 2HD2 LEU 14 -14.425 23.149 13.249 101 H LYS 15 H LYS 15 -16.064 21.120 15.845 102 HA LYS 15 HA LYS 15 -17.336 18.581 16.776 103 HB2 LYS 15 1HB LYS 15 -17.476 19.415 19.022 104 HB3 LYS 15 2HB LYS 15 -15.776 19.311 18.504 105 HG2 LYS 15 1HG LYS 15 -15.775 21.753 18.087 106 HG3 LYS 15 2HG LYS 15 -17.454 21.837 18.672 107 HD2 LYS 15 1HD LYS 15 -16.710 20.943 20.863 108 HD3 LYS 15 2HD LYS 15 -15.031 20.942 20.272 109 HE2 LYS 15 1HE LYS 15 -15.143 23.372 19.936 110 HE3 LYS 15 2HE LYS 15 -16.825 23.377 20.512 111 HZ1 LYS 15 3HZ LYS 15 -14.470 22.587 22.105 112 HZ2 LYS 15 1HZ LYS 15 -15.289 24.013 22.245 113 HZ3 LYS 15 2HZ LYS 15 -16.031 22.592 22.639 114 H HIS 16 H HIS 16 -19.352 19.232 18.161 115 HA HIS 16 HA HIS 16 -21.114 20.723 16.389 116 HB2 HIS 16 1HB HIS 16 -21.887 18.776 17.777 117 HB3 HIS 16 2HB HIS 16 -21.633 19.763 19.237 118 HD1 HIS 16 HD1 HIS 16 -24.289 19.055 19.393 119 HD2 HIS 16 HD2 HIS 16 -23.276 22.090 16.650 120 HE1 HIS 16 HE1 HIS 16 -26.379 20.196 18.849 121 H TYR 17 H TYR 17 -21.083 22.810 16.169 122 HA TYR 17 HA TYR 17 -20.315 24.490 18.521 123 HB2 TYR 17 1HB TYR 17 -20.528 25.166 15.575 124 HB3 TYR 17 2HB TYR 17 -19.979 26.257 16.872 125 HD1 TYR 17 HD2 TYR 17 -17.916 25.433 18.250 126 HD2 TYR 17 HD1 TYR 17 -18.941 23.916 14.399 127 HE1 TYR 17 HE2 TYR 17 -15.597 24.628 17.962 128 HE2 TYR 17 HE1 TYR 17 -16.621 23.103 14.093 129 HH TYR 17 HH TYR 17 -14.110 23.597 16.577 130 H LYS 18 H LYS 18 -21.509 26.170 19.251 131 HA LYS 18 HA LYS 18 -24.227 26.527 18.056 132 HB2 LYS 18 1HB LYS 18 -23.553 26.142 20.975 133 HB3 LYS 18 2HB LYS 18 -25.117 26.733 20.362 134 HG2 LYS 18 1HG LYS 18 -25.401 24.593 19.126 135 HG3 LYS 18 2HG LYS 18 -23.882 24.006 19.846 136 HD2 LYS 18 1HD LYS 18 -24.858 24.288 22.102 137 HD3 LYS 18 2HD LYS 18 -26.384 24.827 21.360 138 HE2 LYS 18 1HE LYS 18 -26.600 22.661 20.221 139 HE3 LYS 18 2HE LYS 18 -25.074 22.120 20.958 140 HZ1 LYS 18 3HZ LYS 18 -27.525 22.848 22.429 141 HZ2 LYS 18 1HZ LYS 18 -26.983 21.312 22.170 142 HZ3 LYS 18 2HZ LYS 18 -26.110 22.346 23.113 143 H ILE 19 H ILE 19 -25.006 28.526 17.984 144 HA ILE 19 HA ILE 19 -23.714 30.708 19.506 145 HB ILE 19 HB ILE 19 -22.326 30.353 17.351 146 HG12 ILE 19 1HG1 ILE 19 -22.371 32.784 16.795 147 HG13 ILE 19 2HG1 ILE 19 -23.726 32.944 17.936 148 HG21 ILE 19 1HG2 ILE 19 -23.341 31.254 15.285 149 HG22 ILE 19 2HG2 ILE 19 -24.228 29.825 15.863 150 HG23 ILE 19 3HG2 ILE 19 -24.893 31.453 16.133 151 HD11 ILE 19 3HD1 ILE 19 -20.934 31.952 18.617 152 HD12 ILE 19 1HD1 ILE 19 -21.589 33.561 18.999 153 HD13 ILE 19 2HD1 ILE 19 -22.290 32.112 19.758 154 H PHE 20 H PHE 20 -24.839 32.583 19.630 155 HA PHE 20 HA PHE 20 -27.688 32.406 18.898 156 HB2 PHE 20 1HB PHE 20 -25.990 34.452 20.366 157 HB3 PHE 20 2HB PHE 20 -27.678 34.772 19.910 158 HD1 PHE 20 HD2 PHE 20 -29.451 33.150 20.733 159 HD2 PHE 20 HD1 PHE 20 -25.486 33.333 22.312 160 HE1 PHE 20 HE2 PHE 20 -30.226 32.033 22.799 161 HE2 PHE 20 HE1 PHE 20 -26.255 32.213 24.378 162 HZ PHE 20 HZ PHE 20 -28.625 31.563 24.621 163 H GLU 21 H GLU 21 -28.789 33.579 17.438 164 HA GLU 21 HA GLU 21 -27.502 34.093 14.968 165 HB2 GLU 21 1HB GLU 21 -29.531 34.997 14.229 166 HB3 GLU 21 2HB GLU 21 -29.944 33.709 15.386 167 HG2 GLU 21 1HG GLU 21 -30.438 35.463 17.135 168 HG3 GLU 21 2HG GLU 21 -29.866 36.646 15.937 169 H GLY 22 H GLY 22 -26.199 35.578 14.281 170 HA2 GLY 22 1HA GLY 22 -25.954 37.924 13.684 171 HA3 GLY 22 2HA GLY 22 -26.606 38.364 15.279 172 H MET 23 H MET 23 -24.841 35.974 16.270 173 HA MET 23 HA MET 23 -22.569 37.738 16.961 174 HB2 MET 23 1HB MET 23 -23.276 34.943 17.854 175 HB3 MET 23 2HB MET 23 -21.982 35.967 18.520 176 HG2 MET 23 1HG MET 23 -24.952 36.577 18.625 177 HG3 MET 23 2HG MET 23 -23.988 35.915 19.965 178 HE1 MET 23 3HE MET 23 -21.311 37.417 19.991 179 HE2 MET 23 1HE MET 23 -21.679 38.848 20.983 180 HE3 MET 23 2HE MET 23 -22.349 37.260 21.431 181 HA PRO 24 HA PRO 24 -19.704 35.851 14.231 182 HB2 PRO 24 1HB PRO 24 -17.349 36.408 15.531 183 HB3 PRO 24 2HB PRO 24 -18.297 37.719 14.818 184 HG2 PRO 24 1HG PRO 24 -18.189 36.799 17.710 185 HG3 PRO 24 2HG PRO 24 -18.138 38.445 17.065 186 HD2 PRO 24 1HD PRO 24 -20.460 37.350 18.048 187 HD3 PRO 24 2HD PRO 24 -20.480 38.532 16.733 188 H VAL 25 H VAL 25 -18.442 34.095 13.897 189 HA VAL 25 HA VAL 25 -18.102 32.202 16.201 190 HB VAL 25 HB VAL 25 -19.259 31.459 13.482 191 HG11 VAL 25 1HG1 VAL 25 -19.523 29.225 14.507 192 HG12 VAL 25 2HG1 VAL 25 -17.814 29.721 14.483 193 HG13 VAL 25 3HG1 VAL 25 -18.748 29.816 15.996 194 HG21 VAL 25 3HG2 VAL 25 -20.908 32.643 14.804 195 HG22 VAL 25 1HG2 VAL 25 -21.311 30.913 14.691 196 HG23 VAL 25 2HG2 VAL 25 -20.600 31.566 16.187 197 H THR 26 H THR 26 -16.223 31.356 16.371 198 HA THR 26 HA THR 26 -14.504 31.229 13.919 199 HB THR 26 HB THR 26 -13.591 32.008 16.720 200 HG1 THR 26 HG1 THR 26 -14.171 33.481 14.376 201 HG21 THR 26 1HG2 THR 26 -11.417 32.407 15.621 202 HG22 THR 26 2HG2 THR 26 -11.919 30.707 15.449 203 HG23 THR 26 3HG2 THR 26 -12.090 31.830 14.078 204 H PHE 27 H PHE 27 -13.775 29.319 13.453 205 HA PHE 27 HA PHE 27 -12.727 27.607 15.601 206 HB2 PHE 27 1HB PHE 27 -14.033 25.600 14.788 207 HB3 PHE 27 2HB PHE 27 -15.027 26.814 15.627 208 HD1 PHE 27 HD1 PHE 27 -14.261 25.216 12.430 209 HD2 PHE 27 HD2 PHE 27 -16.654 28.122 14.449 210 HE1 PHE 27 HE1 PHE 27 -15.798 25.294 10.493 211 HE2 PHE 27 HE2 PHE 27 -18.194 28.201 12.516 212 HZ PHE 27 HZ PHE 27 -17.764 26.787 10.537 213 H THR 28 H THR 28 -11.748 25.578 14.672 214 HA THR 28 HA THR 28 -10.618 26.013 11.972 215 HB THR 28 HB THR 28 -9.258 27.517 13.439 216 HG1 THR 28 HG1 THR 28 -7.242 26.539 12.811 217 HG21 THR 28 1HG2 THR 28 -7.791 26.496 15.144 218 HG22 THR 28 2HG2 THR 28 -9.509 26.259 15.550 219 HG23 THR 28 3HG2 THR 28 -8.563 24.918 14.862 220 H CYS 29 H CYS 29 -9.108 24.353 11.330 221 HA CYS 29 HA CYS 29 -9.369 21.751 12.834 222 HB2 CYS 29 1HB CYS 29 -11.361 22.219 11.333 223 HB3 CYS 29 2HB CYS 29 -10.234 22.255 9.955 224 HG CYS 29 HG CYS 29 -11.080 19.852 11.979 225 H ARG 30 H ARG 30 -7.720 20.341 12.397 226 HA ARG 30 HA ARG 30 -5.546 21.402 10.619 227 HB2 ARG 30 1HB ARG 30 -5.100 21.841 12.961 228 HB3 ARG 30 2HB ARG 30 -5.177 20.092 13.278 229 HG2 ARG 30 1HG ARG 30 -3.264 19.714 11.818 230 HG3 ARG 30 2HG ARG 30 -3.212 21.444 11.402 231 HD2 ARG 30 1HD ARG 30 -2.840 20.376 14.177 232 HD3 ARG 30 2HD ARG 30 -1.512 20.667 13.030 233 HE ARG 30 HE ARG 30 -2.744 23.195 13.275 234 HH11 ARG 30 1HH1 ARG 30 -1.544 20.907 15.618 235 HH12 ARG 30 2HH1 ARG 30 -1.139 22.222 16.704 236 HH21 ARG 30 1HH2 ARG 30 -2.294 24.711 14.512 237 HH22 ARG 30 2HH2 ARG 30 -1.567 24.392 16.075 238 H VAL 31 H VAL 31 -4.408 20.027 9.397 239 HA VAL 31 HA VAL 31 -5.344 17.163 9.390 240 HB VAL 31 HB VAL 31 -4.884 18.968 6.975 241 HG11 VAL 31 1HG1 VAL 31 -5.670 17.012 5.685 242 HG12 VAL 31 2HG1 VAL 31 -4.197 16.623 6.604 243 HG13 VAL 31 3HG1 VAL 31 -5.784 16.065 7.188 244 HG21 VAL 31 3HG2 VAL 31 -6.968 19.510 8.086 245 HG22 VAL 31 1HG2 VAL 31 -7.272 18.681 6.543 246 HG23 VAL 31 2HG2 VAL 31 -7.442 17.795 8.076 247 H ALA 32 H ALA 32 -3.865 15.741 9.573 248 HA ALA 32 HA ALA 32 -1.047 16.535 9.214 249 HB1 ALA 32 3HB ALA 32 -2.291 13.909 10.105 250 HB2 ALA 32 1HB ALA 32 -0.554 14.296 10.114 251 HB3 ALA 32 2HB ALA 32 -1.668 15.192 11.170 252 H GLY 33 H GLY 33 -1.720 16.918 6.849 253 HA2 GLY 33 1HA GLY 33 -1.370 14.373 5.319 254 HA3 GLY 33 2HA GLY 33 -2.081 15.874 4.675 255 H ASN 34 H ASN 34 0.088 14.342 3.528 256 HA ASN 34 HA ASN 34 1.989 16.552 3.194 257 HB2 ASN 34 3HB ASN 34 2.816 15.218 5.266 258 HB3 ASN 34 2HB ASN 34 2.996 13.806 4.252 259 HD21 ASN 34 2HD2 ASN 34 5.057 14.907 5.752 260 HD22 ASN 34 1HD2 ASN 34 6.299 15.468 4.511 261 HA PRO 35 HA PRO 35 2.709 17.484 1.948 262 HB2 PRO 35 1HB PRO 35 1.931 18.758 -0.376 263 HB3 PRO 35 2HB PRO 35 3.510 17.970 -0.260 264 HG2 PRO 35 1HG PRO 35 0.941 16.920 -1.492 265 HG3 PRO 35 2HG PRO 35 2.586 16.862 -2.138 266 HD2 PRO 35 1HD PRO 35 1.478 14.693 -0.891 267 HD3 PRO 35 2HD PRO 35 3.207 15.033 -0.755 268 H LYS 36 H LYS 36 1.424 19.458 2.097 269 HA LYS 36 HA LYS 36 -1.037 18.965 3.384 270 HB2 LYS 36 1HB LYS 36 0.297 21.015 3.604 271 HB3 LYS 36 2HB LYS 36 -0.165 21.473 1.946 272 HG2 LYS 36 1HG LYS 36 -2.524 21.586 2.629 273 HG3 LYS 36 2HG LYS 36 -2.071 21.117 4.284 274 HD2 LYS 36 1HD LYS 36 -0.734 23.144 4.528 275 HD3 LYS 36 2HD LYS 36 -1.087 23.603 2.844 276 HE2 LYS 36 1HE LYS 36 -3.173 23.243 5.016 277 HE3 LYS 36 2HE LYS 36 -2.481 24.807 4.528 278 HZ1 LYS 36 3HZ LYS 36 -4.000 22.983 2.777 279 HZ2 LYS 36 1HZ LYS 36 -4.576 24.382 3.435 280 HZ3 LYS 36 2HZ LYS 36 -3.360 24.434 2.323 281 HA PRO 37 HA PRO 37 -3.709 18.019 -0.034 282 HB2 PRO 37 1HB PRO 37 -5.784 18.349 2.141 283 HB3 PRO 37 2HB PRO 37 -5.508 16.959 1.084 284 HG2 PRO 37 1HG PRO 37 -4.799 16.828 3.659 285 HG3 PRO 37 2HG PRO 37 -3.756 16.111 2.424 286 HD2 PRO 37 1HD PRO 37 -3.429 18.778 3.872 287 HD3 PRO 37 2HD PRO 37 -2.198 17.566 3.498 288 H LYS 38 H LYS 38 -5.435 18.994 -1.137 289 HA LYS 38 HA LYS 38 -5.375 21.923 -0.965 290 HB2 LYS 38 1HB LYS 38 -6.996 20.016 -2.655 291 HB3 LYS 38 2HB LYS 38 -6.995 21.788 -2.817 292 HG2 LYS 38 1HG LYS 38 -4.569 21.709 -3.342 293 HG3 LYS 38 2HG LYS 38 -4.633 19.932 -3.263 294 HD2 LYS 38 1HD LYS 38 -6.290 19.915 -5.090 295 HD3 LYS 38 2HD LYS 38 -6.206 21.690 -5.176 296 HE2 LYS 38 1HE LYS 38 -3.822 21.558 -5.744 297 HE3 LYS 38 2HE LYS 38 -3.892 19.784 -5.642 298 HZ1 LYS 38 3HZ LYS 38 -5.394 21.453 -7.557 299 HZ2 LYS 38 1HZ LYS 38 -4.057 20.552 -7.912 300 HZ3 LYS 38 2HZ LYS 38 -5.459 19.807 -7.464 301 H ILE 39 H ILE 39 -6.120 21.936 1.304 302 HA ILE 39 HA ILE 39 -8.807 20.967 1.910 303 HB ILE 39 HB ILE 39 -6.955 22.857 3.437 304 HG12 ILE 39 1HG1 ILE 39 -7.516 19.965 3.999 305 HG13 ILE 39 2HG1 ILE 39 -6.172 20.515 2.973 306 HG21 ILE 39 1HG2 ILE 39 -8.398 22.341 5.375 307 HG22 ILE 39 2HG2 ILE 39 -9.326 23.128 4.079 308 HG23 ILE 39 3HG2 ILE 39 -9.460 21.372 4.328 309 HD11 ILE 39 3HD1 ILE 39 -6.603 21.256 5.888 310 HD12 ILE 39 1HD1 ILE 39 -5.414 20.084 5.276 311 HD13 ILE 39 2HD1 ILE 39 -5.258 21.808 4.861 312 H TYR 40 H TYR 40 -10.692 21.867 1.905 313 HA TYR 40 HA TYR 40 -10.914 24.816 1.695 314 HB2 TYR 40 1HB TYR 40 -12.288 24.783 -0.238 315 HB3 TYR 40 2HB TYR 40 -10.774 23.934 -0.632 316 HD1 TYR 40 HD2 TYR 40 -10.776 21.436 -0.792 317 HD2 TYR 40 HD1 TYR 40 -14.392 23.654 -0.364 318 HE1 TYR 40 HE2 TYR 40 -12.063 19.463 -1.543 319 HE2 TYR 40 HE1 TYR 40 -15.698 21.688 -1.115 320 HH TYR 40 HH TYR 40 -15.624 19.528 -1.816 321 H TRP 41 H TRP 41 -13.178 25.547 1.822 322 HA TRP 41 HA TRP 41 -14.692 23.721 3.664 323 HB2 TRP 41 1HB TRP 41 -14.570 26.767 3.635 324 HB3 TRP 41 2HB TRP 41 -15.573 25.779 4.723 325 HD1 TRP 41 HD1 TRP 41 -11.999 26.548 3.937 326 HE1 TRP 41 HE1 TRP 41 -10.504 26.147 6.153 327 HE3 TRP 41 HE3 TRP 41 -15.622 24.595 6.920 328 HZ2 TRP 41 HZ2 TRP 41 -10.973 25.147 8.686 329 HZ3 TRP 41 HZ3 TRP 41 -15.102 23.932 9.186 330 HH2 TRP 41 HH2 TRP 41 -12.840 24.180 10.113 331 H PHE 42 H PHE 42 -16.878 23.525 3.500 332 HA PHE 42 HA PHE 42 -18.347 25.310 1.667 333 HB2 PHE 42 1HB PHE 42 -19.397 23.419 0.440 334 HB3 PHE 42 2HB PHE 42 -17.649 23.516 0.130 335 HD1 PHE 42 HD2 PHE 42 -16.117 21.913 1.218 336 HD2 PHE 42 HD1 PHE 42 -20.367 21.529 1.425 337 HE1 PHE 42 HE2 PHE 42 -15.870 19.540 1.865 338 HE2 PHE 42 HE1 PHE 42 -20.123 19.156 2.074 339 HZ PHE 42 HZ PHE 42 -17.874 18.162 2.293 340 H LYS 43 H LYS 43 -20.518 25.447 2.046 341 HA LYS 43 HA LYS 43 -21.308 24.268 4.692 342 HB2 LYS 43 1HB LYS 43 -20.970 26.771 4.483 343 HB3 LYS 43 2HB LYS 43 -22.376 26.774 3.392 344 HG2 LYS 43 1HG LYS 43 -22.713 25.468 6.053 345 HG3 LYS 43 2HG LYS 43 -22.577 27.243 6.032 346 HD2 LYS 43 1HD LYS 43 -24.379 27.247 4.247 347 HD3 LYS 43 2HD LYS 43 -24.609 25.515 4.590 348 HE2 LYS 43 1HE LYS 43 -24.894 26.230 7.045 349 HE3 LYS 43 2HE LYS 43 -25.081 27.881 6.407 350 HZ1 LYS 43 3HZ LYS 43 -26.752 25.560 5.680 351 HZ2 LYS 43 1HZ LYS 43 -27.202 26.788 6.686 352 HZ3 LYS 43 2HZ LYS 43 -26.927 27.090 5.088 353 H ASP 44 H ASP 44 -22.617 22.637 4.501 354 HA ASP 44 HA ASP 44 -24.264 21.234 3.638 355 HB2 ASP 44 1HB ASP 44 -25.655 23.932 3.126 356 HB3 ASP 44 2HB ASP 44 -26.272 22.272 2.944 357 H GLY 45 H GLY 45 -22.103 22.005 1.863 358 HA2 GLY 45 1HA GLY 45 -21.752 20.957 -0.258 359 HA3 GLY 45 2HA GLY 45 -23.484 21.156 -0.627 360 H LYS 46 H LYS 46 -22.552 23.994 0.747 361 HA LYS 46 HA LYS 46 -22.261 25.274 -1.931 362 HB2 LYS 46 1HB LYS 46 -22.846 26.440 0.795 363 HB3 LYS 46 2HB LYS 46 -22.770 27.347 -0.734 364 HG2 LYS 46 1HG LYS 46 -24.701 26.126 -1.591 365 HG3 LYS 46 2HG LYS 46 -24.753 25.131 -0.117 366 HD2 LYS 46 1HD LYS 46 -25.210 27.125 1.233 367 HD3 LYS 46 2HD LYS 46 -25.114 28.145 -0.222 368 HE2 LYS 46 1HE LYS 46 -27.008 26.847 -1.194 369 HE3 LYS 46 2HE LYS 46 -27.142 25.960 0.342 370 HZ1 LYS 46 3HZ LYS 46 -27.474 28.873 0.008 371 HZ2 LYS 46 1HZ LYS 46 -28.697 27.789 0.230 372 HZ3 LYS 46 2HZ LYS 46 -27.598 28.052 1.433 373 H GLN 47 H GLN 47 -20.217 25.206 -2.561 374 HA GLN 47 HA GLN 47 -17.931 25.237 -0.906 375 HB2 GLN 47 1HB GLN 47 -18.010 24.704 -3.337 376 HB3 GLN 47 2HB GLN 47 -18.208 26.441 -3.667 377 HG2 GLN 47 1HG GLN 47 -15.755 26.750 -2.552 378 HG3 GLN 47 2HG GLN 47 -16.061 25.007 -2.369 379 HE21 GLN 47 2HE2 GLN 47 -13.768 25.869 -3.599 380 HE22 GLN 47 1HE2 GLN 47 -13.841 25.529 -5.296 381 H ILE 48 H ILE 48 -16.836 26.654 0.209 382 HA ILE 48 HA ILE 48 -17.837 29.480 0.187 383 HB ILE 48 HB ILE 48 -16.183 27.941 2.244 384 HG12 ILE 48 1HG1 ILE 48 -19.002 28.963 2.448 385 HG13 ILE 48 2HG1 ILE 48 -18.560 27.293 2.022 386 HG21 ILE 48 1HG2 ILE 48 -16.494 29.944 3.660 387 HG22 ILE 48 2HG2 ILE 48 -15.607 30.345 2.171 388 HG23 ILE 48 3HG2 ILE 48 -17.331 30.762 2.319 389 HD11 ILE 48 3HD1 ILE 48 -17.870 28.704 4.622 390 HD12 ILE 48 1HD1 ILE 48 -19.139 27.477 4.409 391 HD13 ILE 48 2HD1 ILE 48 -17.428 27.034 4.194 392 H SER 49 H SER 49 -16.794 31.013 -0.717 393 HA SER 49 HA SER 49 -13.956 30.717 -1.551 394 HB2 SER 49 1HB SER 49 -15.402 31.678 -3.058 395 HB3 SER 49 2HB SER 49 -15.922 32.899 -1.875 396 HG SER 49 HG SER 49 -13.745 33.629 -1.833 397 HA PRO 50 HA PRO 50 -12.336 32.418 2.259 398 HB2 PRO 50 1HB PRO 50 -10.097 33.200 0.351 399 HB3 PRO 50 2HB PRO 50 -9.982 32.336 1.891 400 HG2 PRO 50 1HG PRO 50 -9.702 30.983 -0.390 401 HG3 PRO 50 2HG PRO 50 -10.627 30.266 0.936 402 HD2 PRO 50 1HD PRO 50 -11.659 31.597 -1.601 403 HD3 PRO 50 2HD PRO 50 -12.272 30.159 -0.775 404 H LYS 51 H LYS 51 -12.407 34.287 3.218 405 HA LYS 51 HA LYS 51 -12.862 36.551 3.508 406 HB2 LYS 51 1HB LYS 51 -11.337 36.741 0.906 407 HB3 LYS 51 2HB LYS 51 -11.739 38.101 1.981 408 HG2 LYS 51 1HG LYS 51 -10.365 37.101 3.763 409 HG3 LYS 51 2HG LYS 51 -9.962 35.740 2.688 410 HD2 LYS 51 1HD LYS 51 -8.894 37.299 1.110 411 HD3 LYS 51 2HD LYS 51 -9.300 38.661 2.181 412 HE2 LYS 51 1HE LYS 51 -7.910 37.731 3.948 413 HE3 LYS 51 2HE LYS 51 -7.564 36.297 2.955 414 HZ1 LYS 51 3HZ LYS 51 -6.778 39.064 2.300 415 HZ2 LYS 51 1HZ LYS 51 -5.769 37.890 2.870 416 HZ3 LYS 51 2HZ LYS 51 -6.458 37.734 1.379 417 H SER 52 H SER 52 -15.052 35.385 2.800 418 HA SER 52 HA SER 52 -16.247 36.706 0.387 419 HB2 SER 52 1HB SER 52 -16.555 34.350 0.840 420 HB3 SER 52 2HB SER 52 -17.520 34.812 2.261 421 HG SER 52 HG SER 52 -18.813 34.521 0.410 422 H ASP 53 H ASP 53 -18.840 36.872 1.316 423 HA ASP 53 HA ASP 53 -18.928 39.510 2.380 424 HB2 ASP 53 1HB ASP 53 -21.115 37.344 2.319 425 HB3 ASP 53 2HB ASP 53 -21.212 39.029 2.887 426 H HIS 54 H HIS 54 -19.392 36.383 4.019 427 HA HIS 54 HA HIS 54 -18.688 37.759 6.572 428 HB2 HIS 54 1HB HIS 54 -21.048 35.865 6.184 429 HB3 HIS 54 2HB HIS 54 -20.448 36.453 7.753 430 HD2 HIS 54 HD2 HIS 54 -22.997 37.540 5.012 431 HE1 HIS 54 HE1 HIS 54 -22.264 40.841 7.584 432 HE2 HIS 54 HE2 HIS 54 -23.758 39.830 5.671 433 H TYR 55 H TYR 55 -18.007 35.403 4.383 434 HA TYR 55 HA TYR 55 -17.142 33.429 6.465 435 HB2 TYR 55 1HB TYR 55 -17.658 33.112 3.504 436 HB3 TYR 55 2HB TYR 55 -17.022 31.840 4.581 437 HD1 TYR 55 HD1 TYR 55 -18.969 33.047 6.880 438 HD2 TYR 55 HD2 TYR 55 -19.513 31.482 2.953 439 HE1 TYR 55 HE1 TYR 55 -21.282 32.387 7.472 440 HE2 TYR 55 HE2 TYR 55 -21.823 30.815 3.524 441 HH TYR 55 HH TYR 55 -23.523 31.941 6.119 442 H THR 56 H THR 56 -15.206 34.172 7.103 443 HA THR 56 HA THR 56 -13.159 34.673 4.987 444 HB THR 56 HB THR 56 -13.092 35.228 7.983 445 HG1 THR 56 HG1 THR 56 -13.215 37.426 7.227 446 HG21 THR 56 1HG2 THR 56 -11.026 36.479 7.461 447 HG22 THR 56 2HG2 THR 56 -10.858 34.758 7.038 448 HG23 THR 56 3HG2 THR 56 -11.144 35.965 5.762 449 H ILE 57 H ILE 57 -11.747 33.225 4.455 450 HA ILE 57 HA ILE 57 -11.239 30.961 6.369 451 HB ILE 57 HB ILE 57 -10.977 31.075 3.328 452 HG12 ILE 57 1HG1 ILE 57 -12.849 29.457 5.035 453 HG13 ILE 57 2HG1 ILE 57 -13.272 30.979 4.216 454 HG21 ILE 57 1HG2 ILE 57 -10.421 28.674 3.510 455 HG22 ILE 57 2HG2 ILE 57 -9.231 29.673 4.376 456 HG23 ILE 57 3HG2 ILE 57 -10.482 28.793 5.285 457 HD11 ILE 57 3HD1 ILE 57 -12.365 28.420 2.853 458 HD12 ILE 57 1HD1 ILE 57 -14.034 29.029 2.918 459 HD13 ILE 57 2HD1 ILE 57 -12.787 29.942 2.035 460 H GLN 58 H GLN 58 -9.460 30.976 7.412 461 HA GLN 58 HA GLN 58 -7.066 32.226 6.135 462 HB2 GLN 58 1HB GLN 58 -7.614 31.294 8.955 463 HB3 GLN 58 2HB GLN 58 -6.051 31.920 8.379 464 HG2 GLN 58 1HG GLN 58 -8.639 33.694 8.608 465 HG3 GLN 58 2HG GLN 58 -7.171 33.422 9.576 466 HE21 GLN 58 2HE2 GLN 58 -8.610 35.234 7.107 467 HE22 GLN 58 1HE2 GLN 58 -7.186 35.999 6.483 468 H ARG 59 H ARG 59 -5.431 31.122 5.383 469 HA ARG 59 HA ARG 59 -5.515 28.145 5.773 470 HB2 ARG 59 1HB ARG 59 -4.750 29.711 3.347 471 HB3 ARG 59 2HB ARG 59 -4.450 27.972 3.585 472 HG2 ARG 59 1HG ARG 59 -6.812 27.512 3.672 473 HG3 ARG 59 2HG ARG 59 -7.198 29.250 3.662 474 HD2 ARG 59 1HD ARG 59 -6.403 29.453 1.422 475 HD3 ARG 59 2HD ARG 59 -5.874 27.754 1.422 476 HE ARG 59 HE ARG 59 -8.754 27.814 1.810 477 HH11 ARG 59 1HH1 ARG 59 -6.408 28.513 -0.674 478 HH12 ARG 59 2HH1 ARG 59 -7.581 28.095 -1.907 479 HH21 ARG 59 1HH2 ARG 59 -10.110 27.340 0.409 480 HH22 ARG 59 2HH2 ARG 59 -9.692 27.427 -1.292 481 H ASP 60 H ASP 60 -4.092 27.813 7.355 482 HA ASP 60 HA ASP 60 -1.385 28.990 7.167 483 HB2 ASP 60 1HB ASP 60 -2.568 28.589 9.440 484 HB3 ASP 60 2HB ASP 60 -2.475 26.886 8.925 485 H LEU 61 H LEU 61 0.241 28.170 6.116 486 HA LEU 61 HA LEU 61 -0.224 25.836 4.466 487 HB2 LEU 61 1HB LEU 61 2.135 27.477 5.108 488 HB3 LEU 61 2HB LEU 61 2.246 26.260 3.815 489 HG LEU 61 HG LEU 61 0.464 28.727 3.849 490 HD11 LEU 61 1HD1 LEU 61 1.870 29.432 1.895 491 HD12 LEU 61 2HD1 LEU 61 2.860 29.205 3.357 492 HD13 LEU 61 3HD1 LEU 61 2.847 27.957 2.087 493 HD21 LEU 61 3HD2 LEU 61 -0.666 26.862 2.788 494 HD22 LEU 61 1HD2 LEU 61 -0.187 28.059 1.562 495 HD23 LEU 61 2HD2 LEU 61 0.749 26.557 1.752 496 H ASP 62 H ASP 62 0.819 26.171 7.660 497 HA ASP 62 HA ASP 62 2.565 23.885 7.847 498 HB2 ASP 62 1HB ASP 62 0.748 25.218 9.944 499 HB3 ASP 62 2HB ASP 62 1.810 23.801 10.124 500 H GLY 63 H GLY 63 -0.831 24.189 7.350 501 HA2 GLY 63 1HA GLY 63 -1.821 22.066 6.438 502 HA3 GLY 63 2HA GLY 63 -1.114 21.248 7.848 503 H THR 64 H THR 64 -2.379 24.455 8.253 504 HA THR 64 HA THR 64 -4.788 23.310 9.631 505 HB THR 64 HB THR 64 -3.119 25.699 10.529 506 HG1 THR 64 HG1 THR 64 -2.106 23.636 10.897 507 HG21 THR 64 1HG2 THR 64 -4.546 25.596 12.543 508 HG22 THR 64 2HG2 THR 64 -5.521 25.869 11.080 509 HG23 THR 64 3HG2 THR 64 -5.466 24.254 11.823 510 H CYS 65 H CYS 65 -6.694 24.211 9.307 511 HA CYS 65 HA CYS 65 -6.818 26.777 7.688 512 HB2 CYS 65 1HB CYS 65 -8.311 24.128 7.479 513 HB3 CYS 65 2HB CYS 65 -8.722 25.598 6.563 514 HG CYS 65 HG CYS 65 -6.463 25.792 5.360 515 H SER 66 H SER 66 -8.209 28.261 8.449 516 HA SER 66 HA SER 66 -10.014 27.515 10.774 517 HB2 SER 66 1HB SER 66 -8.162 28.607 11.613 518 HB3 SER 66 2HB SER 66 -8.347 29.932 10.442 519 HG SER 66 HG SER 66 -9.272 30.412 12.481 520 H LEU 67 H LEU 67 -12.071 28.173 10.627 521 HA LEU 67 HA LEU 67 -12.792 30.041 8.389 522 HB2 LEU 67 1HB LEU 67 -13.497 27.908 7.962 523 HB3 LEU 67 2HB LEU 67 -14.332 27.640 9.510 524 HG LEU 67 HG LEU 67 -15.876 29.545 8.892 525 HD11 LEU 67 1HD1 LEU 67 -16.002 30.140 6.458 526 HD12 LEU 67 2HD1 LEU 67 -14.421 30.577 7.150 527 HD13 LEU 67 3HD1 LEU 67 -14.582 29.113 6.150 528 HD21 LEU 67 3HD2 LEU 67 -16.575 27.231 8.704 529 HD22 LEU 67 1HD2 LEU 67 -17.257 28.182 7.363 530 HD23 LEU 67 2HD2 LEU 67 -15.860 27.117 7.078 531 H HIS 68 H HIS 68 -13.518 31.918 8.950 532 HA HIS 68 HA HIS 68 -14.849 32.173 11.627 533 HB2 HIS 68 1HB HIS 68 -12.753 33.430 11.625 534 HB3 HIS 68 2HB HIS 68 -13.177 34.204 10.080 535 HD2 HIS 68 HD2 HIS 68 -14.330 36.737 10.440 536 HE1 HIS 68 HE1 HIS 68 -15.568 36.068 14.448 537 HE2 HIS 68 HE2 HIS 68 -15.396 37.770 12.452 538 H THR 69 H THR 69 -16.910 32.550 11.605 539 HA THR 69 HA THR 69 -18.102 33.951 9.250 540 HB THR 69 HB THR 69 -19.443 32.546 11.597 541 HG1 THR 69 HG1 THR 69 -19.961 31.005 9.934 542 HG21 THR 69 1HG2 THR 69 -21.503 32.810 10.259 543 HG22 THR 69 2HG2 THR 69 -20.796 34.393 10.665 544 HG23 THR 69 3HG2 THR 69 -20.590 33.718 9.032 545 H THR 70 H THR 70 -18.430 36.013 9.275 546 HA THR 70 HA THR 70 -17.794 37.628 11.562 547 HB THR 70 HB THR 70 -19.359 38.337 9.046 548 HG1 THR 70 HG1 THR 70 -17.287 39.202 8.436 549 HG21 THR 70 1HG2 THR 70 -18.774 40.668 9.611 550 HG22 THR 70 2HG2 THR 70 -19.771 39.930 10.888 551 HG23 THR 70 3HG2 THR 70 -18.017 40.113 11.122 552 H ALA 71 H ALA 71 -20.925 36.677 10.153 553 HA ALA 71 HA ALA 71 -22.180 37.272 12.765 554 HB1 ALA 71 3HB ALA 71 -23.118 38.501 10.153 555 HB2 ALA 71 1HB ALA 71 -23.977 38.586 11.709 556 HB3 ALA 71 2HB ALA 71 -22.394 39.374 11.519 557 H SER 72 H SER 72 -22.474 35.075 13.016 558 HA SER 72 HA SER 72 -23.731 33.379 10.968 559 HB2 SER 72 1HB SER 72 -22.144 32.491 12.418 560 HB3 SER 72 2HB SER 72 -23.150 32.897 13.827 561 HG SER 72 HG SER 72 -23.874 31.168 11.697 562 H THR 73 H THR 73 -25.806 33.895 10.425 563 HA THR 73 HA THR 73 -27.746 34.406 12.645 564 HB THR 73 HB THR 73 -29.223 35.352 10.964 565 HG1 THR 73 HG1 THR 73 -27.197 34.546 9.114 566 HG21 THR 73 1HG2 THR 73 -27.868 37.268 10.197 567 HG22 THR 73 2HG2 THR 73 -27.489 36.851 11.886 568 HG23 THR 73 3HG2 THR 73 -26.379 36.370 10.579 569 H LEU 74 H LEU 74 -30.067 33.717 11.851 570 HA LEU 74 HA LEU 74 -30.077 30.864 12.108 571 HB2 LEU 74 1HB LEU 74 -32.064 32.854 11.245 572 HB3 LEU 74 2HB LEU 74 -32.589 31.175 11.512 573 HG LEU 74 HG LEU 74 -31.412 33.038 13.611 574 HD11 LEU 74 1HD1 LEU 74 -33.713 32.966 14.608 575 HD12 LEU 74 2HD1 LEU 74 -33.741 33.647 12.964 576 HD13 LEU 74 3HD1 LEU 74 -34.257 31.966 13.240 577 HD21 LEU 74 3HD2 LEU 74 -30.807 30.724 14.007 578 HD22 LEU 74 1HD2 LEU 74 -32.002 31.254 15.215 579 HD23 LEU 74 2HD2 LEU 74 -32.507 30.222 13.854 580 H ASP 75 H ASP 75 -30.007 32.950 9.323 581 HA ASP 75 HA ASP 75 -30.688 30.791 7.448 582 HB2 ASP 75 1HB ASP 75 -29.554 33.614 6.977 583 HB3 ASP 75 2HB ASP 75 -29.891 32.317 5.804 584 H ASP 76 H ASP 76 -27.894 31.804 9.147 585 HA ASP 76 HA ASP 76 -26.069 30.484 7.207 586 HB2 ASP 76 1HB ASP 76 -25.430 31.922 9.853 587 HB3 ASP 76 2HB ASP 76 -24.366 31.117 8.673 588 H ASP 77 H ASP 77 -27.940 29.691 9.926 589 HA ASP 77 HA ASP 77 -26.392 27.658 11.154 590 HB2 ASP 77 1HB ASP 77 -28.732 28.479 11.915 591 HB3 ASP 77 2HB ASP 77 -29.259 27.584 10.471 592 H GLY 78 H GLY 78 -25.616 25.793 10.577 593 HA2 GLY 78 1HA GLY 78 -26.761 23.786 9.085 594 HA3 GLY 78 2HA GLY 78 -26.030 24.838 7.852 595 H ASN 79 H ASN 79 -24.728 22.898 7.388 596 HA ASN 79 HA ASN 79 -22.630 22.338 9.454 597 HB2 ASN 79 1HB ASN 79 -23.318 20.426 7.107 598 HB3 ASN 79 2HB ASN 79 -22.204 20.495 8.494 599 HD21 ASN 79 2HD2 ASN 79 -25.249 19.567 7.378 600 HD22 ASN 79 1HD2 ASN 79 -25.952 19.119 8.897 601 H TYR 80 H TYR 80 -20.925 23.552 9.190 602 HA TYR 80 HA TYR 80 -20.004 24.300 6.482 603 HB2 TYR 80 1HB TYR 80 -18.918 24.844 9.253 604 HB3 TYR 80 2HB TYR 80 -18.200 25.448 7.738 605 HD1 TYR 80 HD1 TYR 80 -21.275 25.590 9.843 606 HD2 TYR 80 HD2 TYR 80 -19.024 27.415 6.714 607 HE1 TYR 80 HE1 TYR 80 -22.784 27.553 9.915 608 HE2 TYR 80 HE2 TYR 80 -20.522 29.382 6.773 609 HH TYR 80 HH TYR 80 -23.497 29.437 8.512 610 H THR 81 H THR 81 -19.758 22.007 5.868 611 HA THR 81 HA THR 81 -17.825 20.356 7.260 612 HB THR 81 HB THR 81 -18.952 20.075 4.444 613 HG1 THR 81 HG1 THR 81 -20.385 18.596 5.525 614 HG21 THR 81 1HG2 THR 81 -18.319 17.702 4.702 615 HG22 THR 81 2HG2 THR 81 -16.893 18.760 4.823 616 HG23 THR 81 3HG2 THR 81 -17.610 18.063 6.294 617 H ILE 82 H ILE 82 -15.736 20.087 7.048 618 HA ILE 82 HA ILE 82 -14.355 21.552 4.816 619 HB ILE 82 HB ILE 82 -13.470 22.372 6.882 620 HG12 ILE 82 1HG1 ILE 82 -11.697 20.107 6.003 621 HG13 ILE 82 2HG1 ILE 82 -11.822 21.701 5.224 622 HG21 ILE 82 1HG2 ILE 82 -12.770 20.883 8.726 623 HG22 ILE 82 2HG2 ILE 82 -14.500 20.682 8.365 624 HG23 ILE 82 3HG2 ILE 82 -13.327 19.470 7.798 625 HD11 ILE 82 3HD1 ILE 82 -10.880 21.178 8.065 626 HD12 ILE 82 1HD1 ILE 82 -9.838 21.575 6.680 627 HD13 ILE 82 2HD1 ILE 82 -11.005 22.774 7.288 628 H MET 83 H MET 83 -13.064 20.613 3.432 629 HA MET 83 HA MET 83 -12.666 17.653 3.741 630 HB2 MET 83 1HB MET 83 -14.430 18.175 2.110 631 HB3 MET 83 2HB MET 83 -13.275 19.190 1.211 632 HG2 MET 83 1HG MET 83 -11.889 17.236 0.746 633 HG3 MET 83 2HG MET 83 -12.991 16.208 1.693 634 HE1 MET 83 3HE MET 83 -15.857 17.060 0.938 635 HE2 MET 83 1HE MET 83 -16.191 16.047 -0.487 636 HE3 MET 83 2HE MET 83 -15.303 15.367 0.898 637 H ALA 84 H ALA 84 -10.685 16.968 3.640 638 HA ALA 84 HA ALA 84 -8.602 18.836 2.629 639 HB1 ALA 84 3HB ALA 84 -8.354 16.267 4.231 640 HB2 ALA 84 1HB ALA 84 -7.009 17.330 3.754 641 HB3 ALA 84 2HB ALA 84 -8.254 17.922 4.879 642 H ALA 85 H ALA 85 -9.602 18.329 0.449 643 HA ALA 85 HA ALA 85 -9.103 15.651 -0.604 644 HB1 ALA 85 3HB ALA 85 -9.950 18.215 -1.995 645 HB2 ALA 85 1HB ALA 85 -9.943 16.591 -2.721 646 HB3 ALA 85 2HB ALA 85 -11.037 16.955 -1.366 647 H ASN 86 H ASN 86 -7.433 14.903 -1.717 648 HA ASN 86 HA ASN 86 -5.788 16.746 -3.316 649 HB2 ASN 86 1HB ASN 86 -3.641 16.443 -2.120 650 HB3 ASN 86 2HB ASN 86 -5.061 16.638 -1.064 651 HD21 ASN 86 2HD2 ASN 86 -2.977 15.695 0.156 652 HD22 ASN 86 1HD2 ASN 86 -3.081 13.989 0.437 653 HA PRO 87 HA PRO 87 -5.237 13.544 -6.118 654 HB2 PRO 87 1HB PRO 87 -2.226 13.485 -5.625 655 HB3 PRO 87 2HB PRO 87 -3.089 13.705 -7.153 656 HG2 PRO 87 1HG PRO 87 -1.950 15.811 -5.985 657 HG3 PRO 87 2HG PRO 87 -3.548 15.992 -6.722 658 HD2 PRO 87 1HD PRO 87 -2.829 15.731 -3.775 659 HD3 PRO 87 2HD PRO 87 -4.060 16.750 -4.531 660 H GLN 88 H GLN 88 -3.815 13.079 -2.986 661 HA GLN 88 HA GLN 88 -3.401 10.189 -3.510 662 HB2 GLN 88 1HB GLN 88 -2.913 11.829 -1.017 663 HB3 GLN 88 2HB GLN 88 -2.403 10.147 -1.303 664 HG2 GLN 88 1HG GLN 88 -1.111 12.641 -2.711 665 HG3 GLN 88 2HG GLN 88 -0.676 11.468 -1.446 666 HE21 GLN 88 2HE2 GLN 88 -0.387 12.239 -4.681 667 HE22 GLN 88 1HE2 GLN 88 0.054 10.683 -5.302 668 H GLY 89 H GLY 89 -5.924 12.136 -2.603 669 HA2 GLY 89 1HA GLY 89 -7.925 10.463 -2.229 670 HA3 GLY 89 2HA GLY 89 -7.059 10.148 -0.708 671 H ARG 90 H ARG 90 -9.474 10.956 -0.248 672 HA ARG 90 HA ARG 90 -9.197 13.776 0.637 673 HB2 ARG 90 1HB ARG 90 -11.245 14.502 -0.194 674 HB3 ARG 90 2HB ARG 90 -10.199 13.962 -1.527 675 HG2 ARG 90 1HG ARG 90 -11.473 11.880 -1.703 676 HG3 ARG 90 2HG ARG 90 -12.504 12.384 -0.342 677 HD2 ARG 90 1HD ARG 90 -13.246 14.299 -1.688 678 HD3 ARG 90 2HD ARG 90 -12.311 13.649 -3.054 679 HE ARG 90 HE ARG 90 -14.238 11.636 -2.255 680 HH11 ARG 90 1HH1 ARG 90 -14.211 14.820 -3.679 681 HH12 ARG 90 2HH1 ARG 90 -15.684 14.448 -4.553 682 HH21 ARG 90 1HH2 ARG 90 -15.931 11.199 -3.244 683 HH22 ARG 90 2HH2 ARG 90 -16.666 12.384 -4.304 684 H VAL 91 H VAL 91 -10.565 14.394 2.310 685 HA VAL 91 HA VAL 91 -12.433 12.421 3.481 686 HB VAL 91 HB VAL 91 -10.249 11.672 4.425 687 HG11 VAL 91 1HG1 VAL 91 -9.015 13.191 5.936 688 HG12 VAL 91 2HG1 VAL 91 -9.048 13.827 4.275 689 HG13 VAL 91 3HG1 VAL 91 -10.126 14.515 5.513 690 HG21 VAL 91 3HG2 VAL 91 -12.272 11.445 5.740 691 HG22 VAL 91 1HG2 VAL 91 -10.879 11.814 6.782 692 HG23 VAL 91 2HG2 VAL 91 -12.057 13.089 6.389 693 H SER 92 H SER 92 -13.987 13.262 4.644 694 HA SER 92 HA SER 92 -14.029 16.288 4.794 695 HB2 SER 92 1HB SER 92 -16.310 16.210 4.558 696 HB3 SER 92 2HB SER 92 -15.514 15.361 3.213 697 HG SER 92 HG SER 92 -17.331 14.229 4.026 698 H CYS 93 H CYS 93 -14.931 17.260 6.613 699 HA CYS 93 HA CYS 93 -15.781 15.509 8.925 700 HB2 CYS 93 1HB CYS 93 -13.370 16.066 9.095 701 HB3 CYS 93 2HB CYS 93 -13.760 17.794 8.910 702 HG CYS 93 HG CYS 93 -14.699 15.740 11.269 703 H THR 94 H THR 94 -17.644 16.225 9.759 704 HA THR 94 HA THR 94 -18.979 18.466 8.492 705 HB THR 94 HB THR 94 -19.791 16.870 10.959 706 HG1 THR 94 HG1 THR 94 -21.055 15.706 9.390 707 HG21 THR 94 1HG2 THR 94 -22.067 17.638 10.382 708 HG22 THR 94 2HG2 THR 94 -20.990 19.017 10.712 709 HG23 THR 94 3HG2 THR 94 -21.404 18.592 9.035 710 H GLY 95 H GLY 95 -19.044 20.508 8.972 711 HA2 GLY 95 1HA GLY 95 -17.949 21.376 11.602 712 HA3 GLY 95 2HA GLY 95 -18.129 22.394 10.154 713 H ARG 96 H ARG 96 -20.287 20.292 12.109 714 HA ARG 96 HA ARG 96 -22.676 21.696 11.581 715 HB2 ARG 96 1HB ARG 96 -22.590 19.505 12.565 716 HB3 ARG 96 2HB ARG 96 -21.979 20.214 14.078 717 HG2 ARG 96 1HG ARG 96 -24.045 21.452 14.381 718 HG3 ARG 96 2HG ARG 96 -24.655 20.874 12.811 719 HD2 ARG 96 1HD ARG 96 -24.627 18.592 13.683 720 HD3 ARG 96 2HD ARG 96 -24.116 19.231 15.263 721 HE ARG 96 HE ARG 96 -26.688 20.408 14.503 722 HH11 ARG 96 1HH1 ARG 96 -25.303 17.421 15.654 723 HH12 ARG 96 2HH1 ARG 96 -26.816 17.019 16.445 724 HH21 ARG 96 1HH2 ARG 96 -28.428 19.958 15.396 725 HH22 ARG 96 2HH2 ARG 96 -28.598 18.464 16.297 726 H LEU 97 H LEU 97 -23.052 23.760 11.785 727 HA LEU 97 HA LEU 97 -22.544 24.938 14.492 728 HB2 LEU 97 1HB LEU 97 -21.142 25.925 13.008 729 HB3 LEU 97 2HB LEU 97 -22.344 26.272 11.742 730 HG LEU 97 HG LEU 97 -23.499 27.803 13.374 731 HD11 LEU 97 1HD1 LEU 97 -22.154 28.593 15.340 732 HD12 LEU 97 2HD1 LEU 97 -22.513 26.854 15.458 733 HD13 LEU 97 3HD1 LEU 97 -20.898 27.397 14.941 734 HD21 LEU 97 3HD2 LEU 97 -22.071 28.680 11.622 735 HD22 LEU 97 1HD2 LEU 97 -21.891 29.658 13.098 736 HD23 LEU 97 2HD2 LEU 97 -20.633 28.479 12.652 737 H MET 98 H MET 98 -24.359 24.924 15.557 738 HA MET 98 HA MET 98 -26.903 25.468 14.090 739 HB2 MET 98 1HB MET 98 -26.357 24.500 16.898 740 HB3 MET 98 2HB MET 98 -27.967 24.746 16.180 741 HG2 MET 98 1HG MET 98 -25.879 22.772 15.205 742 HG3 MET 98 2HG MET 98 -27.290 22.365 16.210 743 HE1 MET 98 3HE MET 98 -29.635 24.053 15.067 744 HE2 MET 98 1HE MET 98 -30.295 22.972 13.817 745 HE3 MET 98 2HE MET 98 -29.751 22.304 15.375 746 H VAL 99 H VAL 99 -28.238 27.119 14.501 747 HA VAL 99 HA VAL 99 -27.097 29.313 16.230 748 HB VAL 99 HB VAL 99 -28.694 29.575 13.648 749 HG11 VAL 99 1HG1 VAL 99 -28.159 31.978 13.880 750 HG12 VAL 99 2HG1 VAL 99 -29.092 31.391 15.277 751 HG13 VAL 99 3HG1 VAL 99 -27.336 31.646 15.422 752 HG21 VAL 99 3HG2 VAL 99 -26.458 28.766 13.183 753 HG22 VAL 99 1HG2 VAL 99 -26.637 30.460 12.669 754 HG23 VAL 99 2HG2 VAL 99 -25.760 30.074 14.169 755 H GLN 100 H GLN 100 -28.239 30.107 17.767 756 HA GLN 100 HA GLN 100 -31.095 29.247 17.949 757 HB2 GLN 100 1HB GLN 100 -29.238 30.410 20.034 758 HB3 GLN 100 2HB GLN 100 -30.911 29.866 20.302 759 HG2 GLN 100 1HG GLN 100 -28.526 27.910 19.696 760 HG3 GLN 100 2HG GLN 100 -29.456 28.424 21.122 761 HE21 GLN 100 2HE2 GLN 100 -29.201 26.185 18.609 762 HE22 GLN 100 1HE2 GLN 100 -30.779 25.478 18.724 763 H ALA 101 H ALA 101 -32.754 30.626 18.307 764 HA ALA 101 HA ALA 101 -32.361 33.283 17.166 765 HB1 ALA 101 3HB ALA 101 -34.823 31.982 18.379 766 HB2 ALA 101 1HB ALA 101 -34.799 33.507 17.463 767 HB3 ALA 101 2HB ALA 101 -34.377 31.977 16.656 768 H VAL 102 H VAL 102 -32.614 35.266 18.098 769 HA VAL 102 HA VAL 102 -32.526 35.306 21.112 770 HB VAL 102 HB VAL 102 -31.473 37.345 19.108 771 HG11 VAL 102 1HG1 VAL 102 -30.516 38.436 21.108 772 HG12 VAL 102 2HG1 VAL 102 -32.290 38.353 21.211 773 HG13 VAL 102 3HG1 VAL 102 -31.291 37.215 22.146 774 HG21 VAL 102 3HG2 VAL 102 -30.106 35.345 19.116 775 HG22 VAL 102 1HG2 VAL 102 -29.253 36.698 19.897 776 HG23 VAL 102 2HG2 VAL 102 -29.984 35.413 20.891 777 H ASN 103 H ASN 103 -34.274 35.842 22.072 778 HA ASN 103 HA ASN 103 -36.524 36.911 20.590 779 HB2 ASN 103 1HB ASN 103 -36.317 36.491 23.664 780 HB3 ASN 103 2HB ASN 103 -37.534 37.164 22.552 781 HD21 ASN 103 2HD2 ASN 103 -37.494 34.773 24.330 782 HD22 ASN 103 1HD2 ASN 103 -37.928 33.446 23.304 783 H GLN 104 H GLN 104 -33.920 38.348 22.364 784 HA GLN 104 HA GLN 104 -35.379 40.900 22.720 785 HB2 GLN 104 1HB GLN 104 -32.509 40.122 23.299 786 HB3 GLN 104 2HB GLN 104 -33.290 41.656 23.750 787 HG2 GLN 104 1HG GLN 104 -33.956 38.889 25.081 788 HG3 GLN 104 2HG GLN 104 -33.089 40.383 25.511 789 HE21 GLN 104 2HE2 GLN 104 -35.963 38.727 25.789 790 HE22 GLN 104 1HE2 GLN 104 -37.020 40.050 26.160 791 H ARG 105 H ARG 105 -33.659 39.388 20.273 792 HA ARG 105 HA ARG 105 -32.450 41.830 19.167 793 HB2 ARG 105 1HB ARG 105 -31.378 39.712 18.865 794 HB3 ARG 105 2HB ARG 105 -32.785 39.127 17.947 795 HG2 ARG 105 1HG ARG 105 -32.391 40.875 16.252 796 HG3 ARG 105 2HG ARG 105 -30.963 41.424 17.164 797 HD2 ARG 105 1HD ARG 105 -31.296 38.682 15.993 798 HD3 ARG 105 2HD ARG 105 -30.462 40.038 15.199 799 HE ARG 105 HE ARG 105 -29.266 38.392 17.347 800 HH11 ARG 105 1HH1 ARG 105 -29.156 41.490 15.748 801 HH12 ARG 105 2HH1 ARG 105 -27.513 41.728 16.311 802 HH21 ARG 105 1HH2 ARG 105 -27.383 38.648 17.992 803 HH22 ARG 105 2HH2 ARG 105 -26.501 40.108 17.591 804 H GLY 106 H GLY 106 -33.487 43.349 18.167 805 HA2 GLY 106 1HA GLY 106 -36.263 43.069 17.439 806 HA3 GLY 106 2HA GLY 106 -35.211 44.465 17.097 807 H ARG 107 H ARG 107 -33.276 42.462 15.806 808 HA ARG 107 HA ARG 107 -34.552 42.571 13.121 809 HB2 ARG 107 1HB ARG 107 -31.725 42.045 13.923 810 HB3 ARG 107 2HB ARG 107 -32.360 42.038 12.261 811 HG2 ARG 107 1HG ARG 107 -32.982 44.406 12.490 812 HG3 ARG 107 2HG ARG 107 -32.343 44.412 14.152 813 HD2 ARG 107 1HD ARG 107 -30.127 43.922 13.279 814 HD3 ARG 107 2HD ARG 107 -30.781 43.977 11.626 815 HE ARG 107 HE ARG 107 -31.278 46.561 12.786 816 HH11 ARG 107 1HH1 ARG 107 -28.489 44.615 12.017 817 HH12 ARG 107 2HH1 ARG 107 -27.546 46.065 11.736 818 HH21 ARG 107 1HH2 ARG 107 -30.209 48.231 12.477 819 HH22 ARG 107 2HH2 ARG 107 -28.526 48.129 11.999 820 H SER 108 H SER 108 -34.579 40.452 15.582 821 HA SER 108 HA SER 108 -33.785 37.909 14.541 822 HB2 SER 108 1HB SER 108 -34.260 38.270 16.801 823 HB3 SER 108 2HB SER 108 -35.974 38.558 16.422 824 HG SER 108 HG SER 108 -34.481 36.177 16.101 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 7.368 4.441 5.119 2 H2 GLY 1 2H GLY 1 6.300 3.534 5.652 3 H3 GLY 1 3H GLY 1 6.728 3.428 4.218 4 HA2 GLY 1 1HA GLY 1 4.594 5.036 5.183 5 HA3 GLY 1 2HA GLY 1 5.862 6.113 4.552 6 H GLY 2 H GLY 2 4.822 2.884 3.441 7 HA2 GLY 2 1HA GLY 2 4.082 2.158 1.374 8 HA3 GLY 2 2HA GLY 2 3.162 3.683 1.312 9 H SER 3 H SER 3 3.484 4.603 -0.603 10 HA SER 3 HA SER 3 6.148 4.543 -1.965 11 HB2 SER 3 1HB SER 3 3.530 5.647 -2.795 12 HB3 SER 3 2HB SER 3 5.043 5.656 -3.727 13 HG SER 3 HG SER 3 3.692 3.881 -4.245 14 H ASN 4 H ASN 4 6.439 5.855 0.450 15 HA ASN 4 HA ASN 4 7.005 7.889 1.427 16 HB2 ASN 4 1HB ASN 4 8.538 7.906 -0.900 17 HB3 ASN 4 2HB ASN 4 7.147 8.983 -1.171 18 HD21 ASN 4 2HD2 ASN 4 8.911 10.532 -1.504 19 HD22 ASN 4 1HD2 ASN 4 9.525 11.380 -0.124 20 H ALA 5 H ALA 5 4.339 7.563 1.330 21 HA ALA 5 HA ALA 5 3.407 10.333 1.131 22 HB1 ALA 5 3HB ALA 5 2.165 8.163 -0.591 23 HB2 ALA 5 1HB ALA 5 1.519 9.804 -0.363 24 HB3 ALA 5 2HB ALA 5 3.086 9.570 -1.178 25 H THR 6 H THR 6 1.347 10.689 2.083 26 HA THR 6 HA THR 6 0.368 8.438 3.788 27 HB THR 6 HB THR 6 1.007 11.238 4.804 28 HG1 THR 6 HG1 THR 6 2.559 10.060 6.074 29 HG21 THR 6 1HG2 THR 6 0.362 10.309 6.999 30 HG22 THR 6 2HG2 THR 6 -0.995 10.234 5.849 31 HG23 THR 6 3HG2 THR 6 -0.062 8.764 6.222 32 H ALA 7 H ALA 7 -1.724 8.231 3.869 33 HA ALA 7 HA ALA 7 -3.418 9.781 2.202 34 HB1 ALA 7 3HB ALA 7 -4.145 8.010 4.557 35 HB2 ALA 7 1HB ALA 7 -5.270 8.590 3.309 36 HB3 ALA 7 2HB ALA 7 -3.948 7.480 2.872 37 HA PRO 8 HA PRO 8 -4.476 13.351 4.495 38 HB2 PRO 8 1HB PRO 8 -7.191 13.562 3.843 39 HB3 PRO 8 2HB PRO 8 -5.908 14.027 2.718 40 HG2 PRO 8 1HG PRO 8 -7.469 11.429 2.864 41 HG3 PRO 8 2HG PRO 8 -7.038 12.390 1.442 42 HD2 PRO 8 1HD PRO 8 -5.600 10.179 2.066 43 HD3 PRO 8 2HD PRO 8 -4.776 11.612 1.439 44 H PHE 9 H PHE 9 -5.260 14.008 6.387 45 HA PHE 9 HA PHE 9 -7.114 12.367 7.941 46 HB2 PHE 9 1HB PHE 9 -5.166 10.924 8.178 47 HB3 PHE 9 2HB PHE 9 -4.140 12.315 8.593 48 HD1 PHE 9 HD1 PHE 9 -7.056 10.329 9.745 49 HD2 PHE 9 HD2 PHE 9 -3.888 13.001 10.782 50 HE1 PHE 9 HE1 PHE 9 -7.542 9.972 12.143 51 HE2 PHE 9 HE2 PHE 9 -4.370 12.644 13.181 52 HZ PHE 9 HZ PHE 9 -6.199 11.129 13.861 53 H PHE 10 H PHE 10 -7.986 13.412 9.598 54 HA PHE 10 HA PHE 10 -7.154 16.237 9.973 55 HB2 PHE 10 1HB PHE 10 -9.554 14.638 10.951 56 HB3 PHE 10 2HB PHE 10 -9.250 16.339 11.367 57 HD1 PHE 10 HD2 PHE 10 -9.026 17.994 9.435 58 HD2 PHE 10 HD1 PHE 10 -10.718 14.090 9.051 59 HE1 PHE 10 HE2 PHE 10 -10.205 18.709 7.383 60 HE2 PHE 10 HE1 PHE 10 -11.897 14.800 6.997 61 HZ PHE 10 HZ PHE 10 -11.639 17.110 6.164 62 H GLU 11 H GLU 11 -5.304 16.247 11.122 63 HA GLU 11 HA GLU 11 -4.813 14.839 13.549 64 HB2 GLU 11 1HB GLU 11 -3.154 16.162 12.282 65 HB3 GLU 11 2HB GLU 11 -3.988 17.649 12.795 66 HG2 GLU 11 1HG GLU 11 -3.400 17.124 15.198 67 HG3 GLU 11 2HG GLU 11 -2.713 15.609 14.569 68 H MET 12 H MET 12 -6.537 17.890 12.966 69 HA MET 12 HA MET 12 -7.805 17.494 15.651 70 HB2 MET 12 1HB MET 12 -6.197 19.308 15.810 71 HB3 MET 12 2HB MET 12 -6.922 20.091 14.385 72 HG2 MET 12 1HG MET 12 -9.001 20.448 15.606 73 HG3 MET 12 2HG MET 12 -8.341 19.594 17.021 74 HE1 MET 12 3HE MET 12 -8.353 22.854 14.875 75 HE2 MET 12 1HE MET 12 -6.947 23.745 15.506 76 HE3 MET 12 2HE MET 12 -6.705 22.253 14.564 77 H LYS 13 H LYS 13 -9.888 17.251 15.570 78 HA LYS 13 HA LYS 13 -11.209 17.808 12.949 79 HB2 LYS 13 1HB LYS 13 -11.980 16.008 15.250 80 HB3 LYS 13 2HB LYS 13 -12.918 16.234 13.755 81 HG2 LYS 13 1HG LYS 13 -11.019 15.328 12.450 82 HG3 LYS 13 2HG LYS 13 -10.127 15.056 13.966 83 HD2 LYS 13 1HD LYS 13 -11.855 13.508 14.735 84 HD3 LYS 13 2HD LYS 13 -12.809 13.816 13.264 85 HE2 LYS 13 1HE LYS 13 -10.958 12.922 11.895 86 HE3 LYS 13 2HE LYS 13 -10.041 12.578 13.380 87 HZ1 LYS 13 3HZ LYS 13 -12.643 11.389 12.658 88 HZ2 LYS 13 1HZ LYS 13 -11.182 10.627 12.567 89 HZ3 LYS 13 2HZ LYS 13 -11.792 11.069 14.035 90 H LEU 14 H LEU 14 -13.509 18.372 12.995 91 HA LEU 14 HA LEU 14 -13.851 20.714 14.742 92 HB2 LEU 14 1HB LEU 14 -15.458 19.428 12.636 93 HB3 LEU 14 2HB LEU 14 -16.012 20.961 13.350 94 HG LEU 14 HG LEU 14 -13.452 20.533 11.759 95 HD11 LEU 14 1HD1 LEU 14 -14.563 22.016 10.066 96 HD12 LEU 14 2HD1 LEU 14 -15.508 20.536 10.348 97 HD13 LEU 14 3HD1 LEU 14 -16.017 22.071 11.091 98 HD21 LEU 14 3HD2 LEU 14 -13.152 22.190 13.504 99 HD22 LEU 14 1HD2 LEU 14 -13.191 22.986 11.911 100 HD23 LEU 14 2HD2 LEU 14 -14.616 23.054 12.976 101 H LYS 15 H LYS 15 -15.621 21.138 16.070 102 HA LYS 15 HA LYS 15 -17.000 18.668 17.073 103 HB2 LYS 15 1HB LYS 15 -16.317 21.223 18.533 104 HB3 LYS 15 2HB LYS 15 -17.229 19.848 19.200 105 HG2 LYS 15 1HG LYS 15 -15.231 18.409 18.889 106 HG3 LYS 15 2HG LYS 15 -14.326 19.827 18.309 107 HD2 LYS 15 1HD LYS 15 -14.687 20.948 20.467 108 HD3 LYS 15 2HD LYS 15 -15.604 19.539 21.050 109 HE2 LYS 15 1HE LYS 15 -13.608 18.127 20.772 110 HE3 LYS 15 2HE LYS 15 -12.691 19.539 20.198 111 HZ1 LYS 15 3HZ LYS 15 -13.894 19.248 22.877 112 HZ2 LYS 15 1HZ LYS 15 -12.290 19.102 22.525 113 HZ3 LYS 15 2HZ LYS 15 -13.044 20.559 22.345 114 H HIS 16 H HIS 16 -19.054 19.359 18.359 115 HA HIS 16 HA HIS 16 -20.832 20.734 16.496 116 HB2 HIS 16 1HB HIS 16 -21.601 18.824 17.930 117 HB3 HIS 16 2HB HIS 16 -21.351 19.841 19.369 118 HD1 HIS 16 HD1 HIS 16 -23.991 19.155 19.585 119 HD2 HIS 16 HD2 HIS 16 -23.025 22.070 16.698 120 HE1 HIS 16 HE1 HIS 16 -26.094 20.261 19.015 121 H TYR 17 H TYR 17 -20.890 22.811 16.221 122 HA TYR 17 HA TYR 17 -20.068 24.565 18.507 123 HB2 TYR 17 1HB TYR 17 -20.247 25.161 15.543 124 HB3 TYR 17 2HB TYR 17 -19.639 26.251 16.814 125 HD1 TYR 17 HD2 TYR 17 -17.639 25.271 18.241 126 HD2 TYR 17 HD1 TYR 17 -18.697 23.901 14.343 127 HE1 TYR 17 HE2 TYR 17 -15.363 24.350 17.959 128 HE2 TYR 17 HE1 TYR 17 -16.419 22.972 14.044 129 HH TYR 17 HH TYR 17 -13.891 23.349 16.523 130 H LYS 18 H LYS 18 -21.221 26.326 19.130 131 HA LYS 18 HA LYS 18 -23.900 26.717 17.867 132 HB2 LYS 18 1HB LYS 18 -23.308 26.403 20.815 133 HB3 LYS 18 2HB LYS 18 -24.831 27.045 20.152 134 HG2 LYS 18 1HG LYS 18 -25.184 24.882 18.972 135 HG3 LYS 18 2HG LYS 18 -23.711 24.250 19.745 136 HD2 LYS 18 1HD LYS 18 -24.724 24.643 21.967 137 HD3 LYS 18 2HD LYS 18 -26.205 25.232 21.175 138 HE2 LYS 18 1HE LYS 18 -26.508 23.048 20.100 139 HE3 LYS 18 2HE LYS 18 -25.019 22.456 20.872 140 HZ1 LYS 18 3HZ LYS 18 -27.450 23.337 22.290 141 HZ2 LYS 18 1HZ LYS 18 -26.978 21.771 22.078 142 HZ3 LYS 18 2HZ LYS 18 -26.069 22.788 23.007 143 H ILE 19 H ILE 19 -24.624 28.738 17.736 144 HA ILE 19 HA ILE 19 -23.276 30.923 19.206 145 HB ILE 19 HB ILE 19 -21.837 30.564 17.155 146 HG12 ILE 19 1HG1 ILE 19 -21.952 32.899 16.375 147 HG13 ILE 19 2HG1 ILE 19 -23.440 33.100 17.330 148 HG21 ILE 19 1HG2 ILE 19 -22.802 31.173 14.962 149 HG22 ILE 19 2HG2 ILE 19 -23.619 29.750 15.647 150 HG23 ILE 19 3HG2 ILE 19 -24.405 31.345 15.715 151 HD11 ILE 19 3HD1 ILE 19 -20.703 32.381 18.435 152 HD12 ILE 19 1HD1 ILE 19 -21.482 33.977 18.541 153 HD13 ILE 19 2HD1 ILE 19 -22.191 32.582 19.389 154 H PHE 20 H PHE 20 -24.361 32.797 19.335 155 HA PHE 20 HA PHE 20 -27.242 32.577 18.893 156 HB2 PHE 20 1HB PHE 20 -25.396 34.684 20.045 157 HB3 PHE 20 2HB PHE 20 -27.099 35.054 19.693 158 HD1 PHE 20 HD2 PHE 20 -28.887 33.724 20.812 159 HD2 PHE 20 HD1 PHE 20 -24.778 33.516 21.958 160 HE1 PHE 20 HE2 PHE 20 -29.548 32.778 22.999 161 HE2 PHE 20 HE1 PHE 20 -25.433 32.567 24.145 162 HZ PHE 20 HZ PHE 20 -27.818 32.197 24.664 163 H GLU 21 H GLU 21 -28.556 33.720 17.561 164 HA GLU 21 HA GLU 21 -27.642 34.073 14.900 165 HB2 GLU 21 1HB GLU 21 -29.986 33.719 15.592 166 HB3 GLU 21 2HB GLU 21 -30.013 35.374 16.249 167 HG2 GLU 21 1HG GLU 21 -29.585 36.245 13.877 168 HG3 GLU 21 2HG GLU 21 -29.608 34.530 13.410 169 H GLY 22 H GLY 22 -26.364 35.472 14.015 170 HA2 GLY 22 1HA GLY 22 -26.043 37.704 13.205 171 HA3 GLY 22 2HA GLY 22 -26.762 38.337 14.705 172 H MET 23 H MET 23 -24.940 36.060 15.957 173 HA MET 23 HA MET 23 -22.771 37.982 16.581 174 HB2 MET 23 1HB MET 23 -23.412 35.260 17.712 175 HB3 MET 23 2HB MET 23 -22.191 36.401 18.329 176 HG2 MET 23 1HG MET 23 -25.190 36.865 18.258 177 HG3 MET 23 2HG MET 23 -24.244 36.409 19.695 178 HE1 MET 23 3HE MET 23 -21.658 38.055 19.651 179 HE2 MET 23 1HE MET 23 -22.143 39.564 20.463 180 HE3 MET 23 2HE MET 23 -22.746 37.998 21.060 181 HA PRO 24 HA PRO 24 -19.724 35.917 14.174 182 HB2 PRO 24 1HB PRO 24 -17.453 36.742 15.476 183 HB3 PRO 24 2HB PRO 24 -18.424 37.910 14.569 184 HG2 PRO 24 1HG PRO 24 -18.392 37.367 17.555 185 HG3 PRO 24 2HG PRO 24 -18.388 38.920 16.709 186 HD2 PRO 24 1HD PRO 24 -20.698 37.834 17.744 187 HD3 PRO 24 2HD PRO 24 -20.716 38.854 16.301 188 H VAL 25 H VAL 25 -18.470 34.152 14.101 189 HA VAL 25 HA VAL 25 -17.770 32.731 16.613 190 HB VAL 25 HB VAL 25 -20.063 31.897 16.139 191 HG11 VAL 25 1HG1 VAL 25 -20.475 30.618 14.064 192 HG12 VAL 25 2HG1 VAL 25 -20.090 32.317 13.703 193 HG13 VAL 25 3HG1 VAL 25 -18.854 31.056 13.473 194 HG21 VAL 25 3HG2 VAL 25 -18.435 30.411 17.145 195 HG22 VAL 25 1HG2 VAL 25 -19.519 29.517 16.053 196 HG23 VAL 25 2HG2 VAL 25 -17.864 29.916 15.533 197 H THR 26 H THR 26 -15.976 31.657 16.523 198 HA THR 26 HA THR 26 -14.770 31.241 13.805 199 HB THR 26 HB THR 26 -13.313 31.954 16.386 200 HG1 THR 26 HG1 THR 26 -14.197 33.467 14.170 201 HG21 THR 26 1HG2 THR 26 -11.344 32.155 14.908 202 HG22 THR 26 2HG2 THR 26 -12.016 30.506 14.859 203 HG23 THR 26 3HG2 THR 26 -12.331 31.636 13.521 204 H PHE 27 H PHE 27 -14.080 29.313 13.291 205 HA PHE 27 HA PHE 27 -13.154 27.470 15.414 206 HB2 PHE 27 1HB PHE 27 -14.575 25.601 14.482 207 HB3 PHE 27 2HB PHE 27 -15.513 26.858 15.318 208 HD1 PHE 27 HD2 PHE 27 -16.896 28.417 14.065 209 HD2 PHE 27 HD1 PHE 27 -14.818 25.209 12.158 210 HE1 PHE 27 HE2 PHE 27 -18.340 28.670 12.074 211 HE2 PHE 27 HE1 PHE 27 -16.258 25.460 10.164 212 HZ PHE 27 HZ PHE 27 -18.019 27.191 10.122 213 H THR 28 H THR 28 -12.056 25.580 14.572 214 HA THR 28 HA THR 28 -10.863 26.021 11.892 215 HB THR 28 HB THR 28 -9.632 27.591 13.412 216 HG1 THR 28 HG1 THR 28 -7.558 26.727 12.834 217 HG21 THR 28 1HG2 THR 28 -8.172 26.632 15.159 218 HG22 THR 28 2HG2 THR 28 -9.888 26.310 15.510 219 HG23 THR 28 3HG2 THR 28 -8.858 25.020 14.847 220 H CYS 29 H CYS 29 -9.292 24.416 11.300 221 HA CYS 29 HA CYS 29 -9.409 21.842 12.862 222 HB2 CYS 29 1HB CYS 29 -11.421 22.111 11.367 223 HB3 CYS 29 2HB CYS 29 -10.313 22.246 9.980 224 HG CYS 29 HG CYS 29 -9.254 19.946 10.235 225 H ARG 30 H ARG 30 -7.793 20.378 12.261 226 HA ARG 30 HA ARG 30 -5.618 21.549 10.558 227 HB2 ARG 30 1HB ARG 30 -5.110 21.952 12.860 228 HB3 ARG 30 2HB ARG 30 -5.270 20.216 13.208 229 HG2 ARG 30 1HG ARG 30 -3.388 19.746 11.689 230 HG3 ARG 30 2HG ARG 30 -3.219 21.489 11.369 231 HD2 ARG 30 1HD ARG 30 -2.619 21.886 13.645 232 HD3 ARG 30 2HD ARG 30 -2.898 20.175 14.048 233 HE ARG 30 HE ARG 30 -0.702 19.681 12.985 234 HH11 ARG 30 1HH1 ARG 30 -1.569 23.033 12.563 235 HH12 ARG 30 2HH1 ARG 30 0.080 23.408 12.102 236 HH21 ARG 30 1HH2 ARG 30 1.189 20.094 12.452 237 HH22 ARG 30 2HH2 ARG 30 1.654 21.733 12.038 238 H VAL 31 H VAL 31 -4.770 20.297 9.089 239 HA VAL 31 HA VAL 31 -5.357 17.341 9.224 240 HB VAL 31 HB VAL 31 -4.987 17.338 6.787 241 HG11 VAL 31 1HG1 VAL 31 -7.031 18.557 6.118 242 HG12 VAL 31 2HG1 VAL 31 -7.283 17.670 7.640 243 HG13 VAL 31 3HG1 VAL 31 -7.018 19.430 7.668 244 HG21 VAL 31 3HG2 VAL 31 -3.421 19.180 6.634 245 HG22 VAL 31 1HG2 VAL 31 -4.799 19.430 5.537 246 HG23 VAL 31 2HG2 VAL 31 -4.706 20.334 7.067 247 H ALA 32 H ALA 32 -3.818 15.864 8.572 248 HA ALA 32 HA ALA 32 -1.027 16.842 8.428 249 HB1 ALA 32 3HB ALA 32 -1.980 14.864 10.528 250 HB2 ALA 32 1HB ALA 32 -0.286 15.298 10.198 251 HB3 ALA 32 2HB ALA 32 -1.408 16.522 10.832 252 H GLY 33 H GLY 33 -1.472 16.127 6.228 253 HA2 GLY 33 1HA GLY 33 -1.051 13.168 6.011 254 HA3 GLY 33 2HA GLY 33 -1.966 14.117 4.815 255 H ASN 34 H ASN 34 -0.343 13.014 3.371 256 HA ASN 34 HA ASN 34 1.783 14.956 2.786 257 HB2 ASN 34 3HB ASN 34 2.795 13.277 4.493 258 HB3 ASN 34 2HB ASN 34 2.511 11.985 3.351 259 HD21 ASN 34 2HD2 ASN 34 5.002 12.583 4.422 260 HD22 ASN 34 1HD2 ASN 34 6.026 13.100 2.980 261 HA PRO 35 HA PRO 35 2.241 15.995 1.442 262 HB2 PRO 35 1HB PRO 35 0.382 17.080 -0.666 263 HB3 PRO 35 2HB PRO 35 2.122 17.346 -0.490 264 HG2 PRO 35 1HG PRO 35 1.192 15.786 -2.464 265 HG3 PRO 35 2HG PRO 35 2.684 15.354 -1.618 266 HD2 PRO 35 1HD PRO 35 -0.125 14.219 -1.217 267 HD3 PRO 35 2HD PRO 35 1.413 13.352 -1.314 268 H LYS 36 H LYS 36 1.414 17.747 2.533 269 HA LYS 36 HA LYS 36 -0.835 17.206 4.179 270 HB2 LYS 36 1HB LYS 36 0.489 19.816 3.440 271 HB3 LYS 36 2HB LYS 36 -0.752 19.637 4.702 272 HG2 LYS 36 1HG LYS 36 0.733 18.091 5.930 273 HG3 LYS 36 2HG LYS 36 1.979 18.307 4.677 274 HD2 LYS 36 1HD LYS 36 2.076 20.714 5.185 275 HD3 LYS 36 2HD LYS 36 0.829 20.501 6.437 276 HE2 LYS 36 1HE LYS 36 2.304 19.007 7.686 277 HE3 LYS 36 2HE LYS 36 3.545 19.149 6.419 278 HZ1 LYS 36 3HZ LYS 36 2.549 21.361 8.099 279 HZ2 LYS 36 1HZ LYS 36 4.001 20.600 8.278 280 HZ3 LYS 36 2HZ LYS 36 3.700 21.493 6.925 281 HA PRO 37 HA PRO 37 -4.165 17.745 1.383 282 HB2 PRO 37 1HB PRO 37 -5.666 18.119 4.008 283 HB3 PRO 37 2HB PRO 37 -6.043 17.028 2.668 284 HG2 PRO 37 1HG PRO 37 -4.969 16.040 4.902 285 HG3 PRO 37 2HG PRO 37 -4.429 15.432 3.332 286 HD2 PRO 37 1HD PRO 37 -3.011 17.325 5.225 287 HD3 PRO 37 2HD PRO 37 -2.322 16.111 4.141 288 H LYS 38 H LYS 38 -5.202 19.340 0.439 289 HA LYS 38 HA LYS 38 -4.805 22.063 1.541 290 HB2 LYS 38 1HB LYS 38 -6.016 21.071 -1.045 291 HB3 LYS 38 2HB LYS 38 -5.807 22.780 -0.595 292 HG2 LYS 38 1HG LYS 38 -3.376 22.496 -0.559 293 HG3 LYS 38 2HG LYS 38 -3.557 20.768 -0.944 294 HD2 LYS 38 1HD LYS 38 -4.593 21.338 -3.092 295 HD3 LYS 38 2HD LYS 38 -4.461 23.070 -2.707 296 HE2 LYS 38 1HE LYS 38 -1.989 22.800 -2.557 297 HE3 LYS 38 2HE LYS 38 -2.176 21.111 -3.082 298 HZ1 LYS 38 3HZ LYS 38 -2.966 23.488 -4.641 299 HZ2 LYS 38 1HZ LYS 38 -1.632 22.558 -4.919 300 HZ3 LYS 38 2HZ LYS 38 -3.140 21.922 -5.128 301 H ILE 39 H ILE 39 -6.128 22.549 3.145 302 HA ILE 39 HA ILE 39 -8.738 21.328 3.444 303 HB ILE 39 HB ILE 39 -7.414 23.729 4.790 304 HG12 ILE 39 1HG1 ILE 39 -8.020 20.979 5.842 305 HG13 ILE 39 2HG1 ILE 39 -6.454 21.491 5.170 306 HG21 ILE 39 1HG2 ILE 39 -9.254 23.614 6.436 307 HG22 ILE 39 2HG2 ILE 39 -9.872 23.991 4.812 308 HG23 ILE 39 3HG2 ILE 39 -10.043 22.347 5.469 309 HD11 ILE 39 3HD1 ILE 39 -7.820 22.686 7.607 310 HD12 ILE 39 1HD1 ILE 39 -6.434 21.572 7.632 311 HD13 ILE 39 2HD1 ILE 39 -6.255 23.199 6.935 312 H TYR 40 H TYR 40 -10.422 21.618 2.285 313 HA TYR 40 HA TYR 40 -11.080 24.435 1.478 314 HB2 TYR 40 1HB TYR 40 -12.042 21.797 0.350 315 HB3 TYR 40 2HB TYR 40 -12.585 23.412 -0.166 316 HD1 TYR 40 HD2 TYR 40 -10.724 25.021 -1.029 317 HD2 TYR 40 HD1 TYR 40 -10.236 20.794 -0.751 318 HE1 TYR 40 HE2 TYR 40 -8.865 25.139 -2.654 319 HE2 TYR 40 HE1 TYR 40 -8.371 20.894 -2.378 320 HH TYR 40 HH TYR 40 -7.293 23.974 -3.820 321 H TRP 41 H TRP 41 -13.089 25.269 1.830 322 HA TRP 41 HA TRP 41 -14.746 23.747 3.820 323 HB2 TRP 41 1HB TRP 41 -14.274 26.748 3.564 324 HB3 TRP 41 2HB TRP 41 -15.463 25.997 4.656 325 HD1 TRP 41 HD1 TRP 41 -11.836 26.522 4.143 326 HE1 TRP 41 HE1 TRP 41 -10.513 25.997 6.442 327 HE3 TRP 41 HE3 TRP 41 -15.712 24.574 6.792 328 HZ2 TRP 41 HZ2 TRP 41 -11.186 24.923 8.896 329 HZ3 TRP 41 HZ3 TRP 41 -15.372 23.815 9.062 330 HH2 TRP 41 HH2 TRP 41 -13.175 23.963 10.153 331 H PHE 42 H PHE 42 -16.836 23.446 3.472 332 HA PHE 42 HA PHE 42 -18.303 25.345 1.757 333 HB2 PHE 42 1HB PHE 42 -19.292 23.579 0.347 334 HB3 PHE 42 2HB PHE 42 -17.529 23.643 0.123 335 HD1 PHE 42 HD2 PHE 42 -16.095 21.910 1.100 336 HD2 PHE 42 HD1 PHE 42 -20.359 21.669 1.213 337 HE1 PHE 42 HE2 PHE 42 -15.944 19.491 1.587 338 HE2 PHE 42 HE1 PHE 42 -20.211 19.249 1.702 339 HZ PHE 42 HZ PHE 42 -18.002 18.161 1.889 340 H LYS 43 H LYS 43 -20.512 25.370 2.068 341 HA LYS 43 HA LYS 43 -21.273 24.087 4.672 342 HB2 LYS 43 1HB LYS 43 -21.010 26.596 4.558 343 HB3 LYS 43 2HB LYS 43 -22.399 26.602 3.445 344 HG2 LYS 43 1HG LYS 43 -22.691 25.234 6.095 345 HG3 LYS 43 2HG LYS 43 -22.703 27.012 6.055 346 HD2 LYS 43 1HD LYS 43 -24.465 26.820 4.221 347 HD3 LYS 43 2HD LYS 43 -24.572 25.093 4.640 348 HE2 LYS 43 1HE LYS 43 -24.911 25.946 7.069 349 HE3 LYS 43 2HE LYS 43 -25.289 27.505 6.300 350 HZ1 LYS 43 3HZ LYS 43 -26.672 24.953 5.772 351 HZ2 LYS 43 1HZ LYS 43 -27.267 26.197 6.678 352 HZ3 LYS 43 2HZ LYS 43 -27.023 26.399 5.058 353 H ASP 44 H ASP 44 -22.501 22.401 4.389 354 HA ASP 44 HA ASP 44 -24.020 20.950 3.359 355 HB2 ASP 44 1HB ASP 44 -25.673 23.553 3.382 356 HB3 ASP 44 2HB ASP 44 -26.167 21.886 2.994 357 H GLY 45 H GLY 45 -22.099 21.905 1.559 358 HA2 GLY 45 1HA GLY 45 -21.980 21.083 -0.688 359 HA3 GLY 45 2HA GLY 45 -23.715 21.427 -0.892 360 H LYS 46 H LYS 46 -22.536 24.029 0.710 361 HA LYS 46 HA LYS 46 -22.328 25.576 -1.834 362 HB2 LYS 46 1HB LYS 46 -22.821 26.457 1.015 363 HB3 LYS 46 2HB LYS 46 -22.744 27.527 -0.405 364 HG2 LYS 46 1HG LYS 46 -24.721 26.451 -1.357 365 HG3 LYS 46 2HG LYS 46 -24.781 25.312 0.010 366 HD2 LYS 46 1HD LYS 46 -25.158 27.171 1.564 367 HD3 LYS 46 2HD LYS 46 -25.054 28.331 0.218 368 HE2 LYS 46 1HE LYS 46 -26.996 27.163 -0.848 369 HE3 LYS 46 2HE LYS 46 -27.143 26.170 0.622 370 HZ1 LYS 46 3HZ LYS 46 -27.377 29.109 0.507 371 HZ2 LYS 46 1HZ LYS 46 -28.634 28.053 0.665 372 HZ3 LYS 46 2HZ LYS 46 -27.513 28.189 1.869 373 H GLN 47 H GLN 47 -20.283 25.438 -2.507 374 HA GLN 47 HA GLN 47 -17.956 25.379 -0.920 375 HB2 GLN 47 1HB GLN 47 -18.084 24.997 -3.371 376 HB3 GLN 47 2HB GLN 47 -18.316 26.747 -3.595 377 HG2 GLN 47 1HG GLN 47 -15.835 27.017 -2.511 378 HG3 GLN 47 2HG GLN 47 -16.112 25.260 -2.466 379 HE21 GLN 47 2HE2 GLN 47 -13.869 26.226 -3.685 380 HE22 GLN 47 1HE2 GLN 47 -13.992 26.042 -5.403 381 H ILE 48 H ILE 48 -16.839 26.719 0.261 382 HA ILE 48 HA ILE 48 -17.804 29.557 0.406 383 HB ILE 48 HB ILE 48 -16.182 27.873 2.372 384 HG12 ILE 48 1HG1 ILE 48 -18.967 28.963 2.648 385 HG13 ILE 48 2HG1 ILE 48 -18.580 27.309 2.120 386 HG21 ILE 48 1HG2 ILE 48 -16.432 29.806 3.892 387 HG22 ILE 48 2HG2 ILE 48 -15.538 30.259 2.423 388 HG23 ILE 48 3HG2 ILE 48 -17.248 30.717 2.599 389 HD11 ILE 48 3HD1 ILE 48 -17.834 28.544 4.795 390 HD12 ILE 48 1HD1 ILE 48 -19.142 27.370 4.519 391 HD13 ILE 48 2HD1 ILE 48 -17.447 26.890 4.269 392 H SER 49 H SER 49 -16.739 31.107 -0.436 393 HA SER 49 HA SER 49 -13.883 30.762 -1.254 394 HB2 SER 49 1HB SER 49 -15.294 31.642 -2.845 395 HB3 SER 49 2HB SER 49 -15.855 32.913 -1.734 396 HG SER 49 HG SER 49 -13.684 33.661 -1.665 397 HA PRO 50 HA PRO 50 -12.335 32.762 2.455 398 HB2 PRO 50 1HB PRO 50 -10.130 33.525 0.503 399 HB3 PRO 50 2HB PRO 50 -9.983 32.736 2.080 400 HG2 PRO 50 1HG PRO 50 -9.648 31.298 -0.143 401 HG3 PRO 50 2HG PRO 50 -10.538 30.601 1.217 402 HD2 PRO 50 1HD PRO 50 -11.637 31.788 -1.367 403 HD3 PRO 50 2HD PRO 50 -12.173 30.347 -0.493 404 H LYS 51 H LYS 51 -12.398 34.708 3.286 405 HA LYS 51 HA LYS 51 -12.900 36.975 3.423 406 HB2 LYS 51 1HB LYS 51 -11.500 37.001 0.744 407 HB3 LYS 51 2HB LYS 51 -11.892 38.430 1.728 408 HG2 LYS 51 1HG LYS 51 -10.411 37.611 3.514 409 HG3 LYS 51 2HG LYS 51 -10.022 36.176 2.535 410 HD2 LYS 51 1HD LYS 51 -9.077 37.634 0.783 411 HD3 LYS 51 2HD LYS 51 -9.452 39.063 1.777 412 HE2 LYS 51 1HE LYS 51 -7.952 38.285 3.526 413 HE3 LYS 51 2HE LYS 51 -7.632 36.788 2.620 414 HZ1 LYS 51 3HZ LYS 51 -6.936 39.512 1.728 415 HZ2 LYS 51 1HZ LYS 51 -5.875 38.399 2.324 416 HZ3 LYS 51 2HZ LYS 51 -6.639 38.125 0.887 417 H SER 52 H SER 52 -15.058 35.586 2.804 418 HA SER 52 HA SER 52 -16.408 36.818 0.427 419 HB2 SER 52 1HB SER 52 -16.566 34.454 0.891 420 HB3 SER 52 2HB SER 52 -17.494 34.861 2.351 421 HG SER 52 HG SER 52 -18.861 34.498 0.582 422 H ASP 53 H ASP 53 -18.970 36.866 1.411 423 HA ASP 53 HA ASP 53 -19.171 39.492 2.472 424 HB2 ASP 53 1HB ASP 53 -21.238 37.209 2.478 425 HB3 ASP 53 2HB ASP 53 -21.412 38.891 3.040 426 H HIS 54 H HIS 54 -19.440 36.355 4.136 427 HA HIS 54 HA HIS 54 -18.759 37.779 6.672 428 HB2 HIS 54 1HB HIS 54 -21.043 35.785 6.328 429 HB3 HIS 54 2HB HIS 54 -20.439 36.395 7.887 430 HD2 HIS 54 HD2 HIS 54 -23.080 37.379 5.195 431 HE1 HIS 54 HE1 HIS 54 -22.434 40.705 7.758 432 HE2 HIS 54 HE2 HIS 54 -23.921 39.636 5.873 433 H TYR 55 H TYR 55 -18.012 35.438 4.482 434 HA TYR 55 HA TYR 55 -17.042 33.509 6.561 435 HB2 TYR 55 1HB TYR 55 -17.514 33.182 3.592 436 HB3 TYR 55 2HB TYR 55 -16.839 31.937 4.673 437 HD1 TYR 55 HD1 TYR 55 -18.857 33.026 6.957 438 HD2 TYR 55 HD2 TYR 55 -19.300 31.502 3.000 439 HE1 TYR 55 HE1 TYR 55 -21.146 32.266 7.516 440 HE2 TYR 55 HE2 TYR 55 -21.586 30.737 3.538 441 HH TYR 55 HH TYR 55 -23.374 31.760 6.057 442 H THR 56 H THR 56 -15.098 34.057 7.213 443 HA THR 56 HA THR 56 -13.064 34.727 5.118 444 HB THR 56 HB THR 56 -13.011 35.205 8.129 445 HG1 THR 56 HG1 THR 56 -13.137 37.420 7.430 446 HG21 THR 56 1HG2 THR 56 -10.947 36.473 7.652 447 HG22 THR 56 2HG2 THR 56 -10.771 34.765 7.185 448 HG23 THR 56 3HG2 THR 56 -11.053 36.004 5.939 449 H ILE 57 H ILE 57 -11.622 33.319 4.563 450 HA ILE 57 HA ILE 57 -11.085 31.019 6.428 451 HB ILE 57 HB ILE 57 -10.863 31.186 3.388 452 HG12 ILE 57 1HG1 ILE 57 -12.685 29.527 5.111 453 HG13 ILE 57 2HG1 ILE 57 -13.141 31.033 4.279 454 HG21 ILE 57 1HG2 ILE 57 -10.256 28.794 3.522 455 HG22 ILE 57 2HG2 ILE 57 -9.074 29.802 4.386 456 HG23 ILE 57 3HG2 ILE 57 -10.293 28.882 5.298 457 HD11 ILE 57 3HD1 ILE 57 -12.196 28.475 2.936 458 HD12 ILE 57 1HD1 ILE 57 -13.876 29.055 3.005 459 HD13 ILE 57 2HD1 ILE 57 -12.650 29.982 2.105 460 H GLN 58 H GLN 58 -9.287 30.993 7.431 461 HA GLN 58 HA GLN 58 -6.903 32.191 6.058 462 HB2 GLN 58 1HB GLN 58 -7.517 31.836 8.995 463 HB3 GLN 58 2HB GLN 58 -5.945 32.354 8.341 464 HG2 GLN 58 1HG GLN 58 -8.551 34.105 8.152 465 HG3 GLN 58 2HG GLN 58 -7.105 34.049 9.187 466 HE21 GLN 58 2HE2 GLN 58 -8.474 35.585 6.621 467 HE22 GLN 58 1HE2 GLN 58 -7.050 36.123 5.794 468 H ARG 59 H ARG 59 -5.850 30.647 5.069 469 HA ARG 59 HA ARG 59 -5.678 27.972 6.390 470 HB2 ARG 59 1HB ARG 59 -6.630 28.084 4.151 471 HB3 ARG 59 2HB ARG 59 -5.064 28.684 3.557 472 HG2 ARG 59 1HG ARG 59 -4.007 26.584 4.400 473 HG3 ARG 59 2HG ARG 59 -5.630 25.985 4.817 474 HD2 ARG 59 1HD ARG 59 -4.642 26.694 2.073 475 HD3 ARG 59 2HD ARG 59 -4.828 25.057 2.744 476 HE ARG 59 HE ARG 59 -7.333 25.397 2.519 477 HH11 ARG 59 1HH1 ARG 59 -5.429 27.997 1.188 478 HH12 ARG 59 2HH1 ARG 59 -6.794 28.503 0.211 479 HH21 ARG 59 1HH2 ARG 59 -8.907 25.970 1.414 480 HH22 ARG 59 2HH2 ARG 59 -8.778 27.349 0.339 481 H ASP 60 H ASP 60 -4.067 28.127 7.832 482 HA ASP 60 HA ASP 60 -1.436 29.162 7.121 483 HB2 ASP 60 1HB ASP 60 -2.360 28.937 9.551 484 HB3 ASP 60 2HB ASP 60 -2.195 27.202 9.186 485 H LEU 61 H LEU 61 0.248 28.235 6.229 486 HA LEU 61 HA LEU 61 -0.222 25.831 4.694 487 HB2 LEU 61 1HB LEU 61 2.169 27.416 5.368 488 HB3 LEU 61 2HB LEU 61 2.296 26.128 4.148 489 HG LEU 61 HG LEU 61 0.609 28.654 3.961 490 HD11 LEU 61 1HD1 LEU 61 2.140 29.206 2.051 491 HD12 LEU 61 2HD1 LEU 61 3.045 29.023 3.572 492 HD13 LEU 61 3HD1 LEU 61 3.050 27.711 2.369 493 HD21 LEU 61 3HD2 LEU 61 -0.533 26.777 2.939 494 HD22 LEU 61 1HD2 LEU 61 0.052 27.890 1.679 495 HD23 LEU 61 2HD2 LEU 61 0.920 26.368 1.997 496 H ASP 62 H ASP 62 0.794 26.328 7.900 497 HA ASP 62 HA ASP 62 2.481 24.024 8.241 498 HB2 ASP 62 1HB ASP 62 1.969 26.044 9.930 499 HB3 ASP 62 2HB ASP 62 0.555 25.001 10.222 500 H GLY 63 H GLY 63 -0.987 24.414 8.019 501 HA2 GLY 63 1HA GLY 63 -1.906 22.214 7.039 502 HA3 GLY 63 2HA GLY 63 -1.286 21.486 8.538 503 H THR 64 H THR 64 -2.134 24.460 9.503 504 HA THR 64 HA THR 64 -4.886 23.588 10.284 505 HB THR 64 HB THR 64 -3.085 25.757 11.449 506 HG1 THR 64 HG1 THR 64 -3.925 23.557 12.946 507 HG21 THR 64 1HG2 THR 64 -4.793 25.889 13.227 508 HG22 THR 64 2HG2 THR 64 -5.488 26.301 11.641 509 HG23 THR 64 3HG2 THR 64 -5.792 24.701 12.356 510 H CYS 65 H CYS 65 -6.650 24.577 9.661 511 HA CYS 65 HA CYS 65 -6.428 27.309 8.363 512 HB2 CYS 65 1HB CYS 65 -6.500 25.367 6.760 513 HB3 CYS 65 2HB CYS 65 -8.048 24.874 7.488 514 HG CYS 65 HG CYS 65 -8.383 25.873 5.159 515 H SER 66 H SER 66 -7.865 28.725 9.140 516 HA SER 66 HA SER 66 -10.009 27.747 11.036 517 HB2 SER 66 1HB SER 66 -8.447 29.030 12.113 518 HB3 SER 66 2HB SER 66 -8.566 30.317 10.891 519 HG SER 66 HG SER 66 -9.830 30.740 12.752 520 H LEU 67 H LEU 67 -12.095 28.152 10.596 521 HA LEU 67 HA LEU 67 -12.730 30.123 8.424 522 HB2 LEU 67 1HB LEU 67 -13.377 28.014 7.867 523 HB3 LEU 67 2HB LEU 67 -14.251 27.638 9.371 524 HG LEU 67 HG LEU 67 -15.844 29.509 8.810 525 HD11 LEU 67 1HD1 LEU 67 -15.904 30.269 6.420 526 HD12 LEU 67 2HD1 LEU 67 -14.369 30.714 7.202 527 HD13 LEU 67 3HD1 LEU 67 -14.433 29.320 6.098 528 HD21 LEU 67 3HD2 LEU 67 -16.443 27.190 8.435 529 HD22 LEU 67 1HD2 LEU 67 -17.112 28.207 7.137 530 HD23 LEU 67 2HD2 LEU 67 -15.663 27.217 6.836 531 H HIS 68 H HIS 68 -13.450 31.981 9.039 532 HA HIS 68 HA HIS 68 -14.882 32.141 11.670 533 HB2 HIS 68 1HB HIS 68 -12.861 33.473 11.755 534 HB3 HIS 68 2HB HIS 68 -13.216 34.209 10.174 535 HD2 HIS 68 HD2 HIS 68 -14.424 36.729 10.430 536 HE1 HIS 68 HE1 HIS 68 -15.888 36.096 14.367 537 HE2 HIS 68 HE2 HIS 68 -15.627 37.772 12.360 538 H THR 69 H THR 69 -16.927 32.623 11.715 539 HA THR 69 HA THR 69 -18.123 33.974 9.318 540 HB THR 69 HB THR 69 -19.482 32.470 11.594 541 HG1 THR 69 HG1 THR 69 -19.924 30.966 9.863 542 HG21 THR 69 1HG2 THR 69 -21.514 32.713 10.210 543 HG22 THR 69 2HG2 THR 69 -20.862 34.302 10.674 544 HG23 THR 69 3HG2 THR 69 -20.596 33.676 9.030 545 H THR 70 H THR 70 -18.483 36.029 9.393 546 HA THR 70 HA THR 70 -17.976 37.555 11.791 547 HB THR 70 HB THR 70 -19.295 38.377 9.170 548 HG1 THR 70 HG1 THR 70 -17.164 39.227 8.784 549 HG21 THR 70 1HG2 THR 70 -18.732 40.678 9.873 550 HG22 THR 70 2HG2 THR 70 -19.851 39.912 11.026 551 HG23 THR 70 3HG2 THR 70 -18.123 40.056 11.425 552 H ALA 71 H ALA 71 -20.962 36.598 10.123 553 HA ALA 71 HA ALA 71 -22.448 37.257 12.600 554 HB1 ALA 71 3HB ALA 71 -23.181 38.347 9.863 555 HB2 ALA 71 1HB ALA 71 -24.173 38.482 11.334 556 HB3 ALA 71 2HB ALA 71 -22.593 39.295 11.244 557 H SER 72 H SER 72 -22.653 35.037 12.887 558 HA SER 72 HA SER 72 -23.778 33.270 10.809 559 HB2 SER 72 1HB SER 72 -22.196 32.467 12.325 560 HB3 SER 72 2HB SER 72 -23.282 32.819 13.688 561 HG SER 72 HG SER 72 -23.828 31.069 11.523 562 H THR 73 H THR 73 -25.852 33.712 10.207 563 HA THR 73 HA THR 73 -27.873 34.137 12.374 564 HB THR 73 HB THR 73 -29.339 35.034 10.654 565 HG1 THR 73 HG1 THR 73 -27.222 34.326 8.865 566 HG21 THR 73 1HG2 THR 73 -28.043 37.014 9.949 567 HG22 THR 73 2HG2 THR 73 -27.702 36.597 11.645 568 HG23 THR 73 3HG2 THR 73 -26.532 36.176 10.373 569 H LEU 74 H LEU 74 -30.136 33.347 11.544 570 HA LEU 74 HA LEU 74 -30.017 30.491 11.737 571 HB2 LEU 74 1HB LEU 74 -32.083 32.412 10.913 572 HB3 LEU 74 2HB LEU 74 -32.538 30.706 11.126 573 HG LEU 74 HG LEU 74 -31.476 32.573 13.283 574 HD11 LEU 74 1HD1 LEU 74 -33.770 32.317 14.268 575 HD12 LEU 74 2HD1 LEU 74 -33.841 33.037 12.642 576 HD13 LEU 74 3HD1 LEU 74 -34.240 31.318 12.873 577 HD21 LEU 74 3HD2 LEU 74 -30.714 30.297 13.622 578 HD22 LEU 74 1HD2 LEU 74 -31.945 30.713 14.838 579 HD23 LEU 74 2HD2 LEU 74 -32.375 29.684 13.450 580 H ASP 75 H ASP 75 -30.040 32.645 8.996 581 HA ASP 75 HA ASP 75 -30.540 30.516 7.049 582 HB2 ASP 75 1HB ASP 75 -29.428 33.366 6.704 583 HB3 ASP 75 2HB ASP 75 -29.677 32.091 5.487 584 H ASP 76 H ASP 76 -27.825 31.622 8.859 585 HA ASP 76 HA ASP 76 -25.916 30.256 7.037 586 HB2 ASP 76 1HB ASP 76 -25.369 31.755 9.672 587 HB3 ASP 76 2HB ASP 76 -24.271 30.964 8.511 588 H ASP 77 H ASP 77 -27.797 29.622 9.841 589 HA ASP 77 HA ASP 77 -26.283 27.584 11.096 590 HB2 ASP 77 1HB ASP 77 -28.578 28.523 11.882 591 HB3 ASP 77 2HB ASP 77 -29.173 27.566 10.506 592 H GLY 78 H GLY 78 -25.634 25.643 10.608 593 HA2 GLY 78 1HA GLY 78 -26.892 23.631 9.236 594 HA3 GLY 78 2HA GLY 78 -26.162 24.594 7.929 595 H ASN 79 H ASN 79 -24.659 23.073 7.288 596 HA ASN 79 HA ASN 79 -22.694 22.178 9.376 597 HB2 ASN 79 1HB ASN 79 -23.454 20.338 7.005 598 HB3 ASN 79 2HB ASN 79 -22.450 20.318 8.475 599 HD21 ASN 79 2HD2 ASN 79 -25.662 20.128 7.167 600 HD22 ASN 79 1HD2 ASN 79 -26.444 19.569 8.607 601 H TYR 80 H TYR 80 -20.951 23.348 9.094 602 HA TYR 80 HA TYR 80 -20.070 24.105 6.377 603 HB2 TYR 80 1HB TYR 80 -18.912 24.595 9.130 604 HB3 TYR 80 2HB TYR 80 -18.222 25.208 7.607 605 HD1 TYR 80 HD1 TYR 80 -21.390 25.270 9.608 606 HD2 TYR 80 HD2 TYR 80 -18.894 27.304 6.811 607 HE1 TYR 80 HE1 TYR 80 -22.867 27.256 9.742 608 HE2 TYR 80 HE2 TYR 80 -20.357 29.291 6.934 609 HH TYR 80 HH TYR 80 -23.445 29.265 8.502 610 H THR 81 H THR 81 -19.865 21.826 5.717 611 HA THR 81 HA THR 81 -18.039 20.055 7.058 612 HB THR 81 HB THR 81 -18.958 20.014 4.150 613 HG1 THR 81 HG1 THR 81 -20.529 18.529 5.012 614 HG21 THR 81 1HG2 THR 81 -18.439 17.604 4.289 615 HG22 THR 81 2HG2 THR 81 -16.988 18.590 4.593 616 HG23 THR 81 3HG2 THR 81 -17.846 17.827 5.952 617 H ILE 82 H ILE 82 -15.951 19.740 6.977 618 HA ILE 82 HA ILE 82 -14.361 21.393 5.037 619 HB ILE 82 HB ILE 82 -13.708 21.876 7.321 620 HG12 ILE 82 1HG1 ILE 82 -11.781 19.923 6.090 621 HG13 ILE 82 2HG1 ILE 82 -11.943 21.647 5.683 622 HG21 ILE 82 1HG2 ILE 82 -13.009 20.090 8.880 623 HG22 ILE 82 2HG2 ILE 82 -14.706 19.884 8.390 624 HG23 ILE 82 3HG2 ILE 82 -13.442 18.862 7.668 625 HD11 ILE 82 3HD1 ILE 82 -11.113 20.528 8.384 626 HD12 ILE 82 1HD1 ILE 82 -10.027 21.264 7.183 627 HD13 ILE 82 2HD1 ILE 82 -11.276 22.252 7.976 628 H MET 83 H MET 83 -12.911 20.591 3.699 629 HA MET 83 HA MET 83 -12.865 17.595 3.485 630 HB2 MET 83 1HB MET 83 -14.222 18.641 1.749 631 HB3 MET 83 2HB MET 83 -12.846 19.676 1.297 632 HG2 MET 83 1HG MET 83 -13.003 17.876 -0.294 633 HG3 MET 83 2HG MET 83 -11.558 17.628 0.716 634 HE1 MET 83 3HE MET 83 -15.003 16.293 -0.431 635 HE2 MET 83 1HE MET 83 -15.450 15.133 0.843 636 HE3 MET 83 2HE MET 83 -15.443 16.880 1.191 637 H ALA 84 H ALA 84 -10.993 16.760 3.898 638 HA ALA 84 HA ALA 84 -8.539 18.345 3.478 639 HB1 ALA 84 3HB ALA 84 -8.943 15.524 4.537 640 HB2 ALA 84 1HB ALA 84 -7.400 16.412 4.500 641 HB3 ALA 84 2HB ALA 84 -8.736 16.994 5.518 642 H ALA 85 H ALA 85 -8.983 18.490 1.141 643 HA ALA 85 HA ALA 85 -8.722 15.996 -0.389 644 HB1 ALA 85 3HB ALA 85 -8.912 18.888 -1.297 645 HB2 ALA 85 1HB ALA 85 -8.979 17.461 -2.355 646 HB3 ALA 85 2HB ALA 85 -10.266 17.739 -1.159 647 H ASN 86 H ASN 86 -6.908 15.101 -0.997 648 HA ASN 86 HA ASN 86 -4.705 16.841 -1.949 649 HB2 ASN 86 1HB ASN 86 -2.999 16.037 -0.365 650 HB3 ASN 86 2HB ASN 86 -4.607 16.256 0.367 651 HD21 ASN 86 2HD2 ASN 86 -2.692 14.743 1.590 652 HD22 ASN 86 1HD2 ASN 86 -3.156 13.075 1.560 653 HA PRO 87 HA PRO 87 -3.910 14.004 -5.061 654 HB2 PRO 87 1HB PRO 87 -1.192 13.267 -3.897 655 HB3 PRO 87 2HB PRO 87 -1.572 13.881 -5.514 656 HG2 PRO 87 1HG PRO 87 -0.462 15.516 -3.728 657 HG3 PRO 87 2HG PRO 87 -1.760 16.124 -4.766 658 HD2 PRO 87 1HD PRO 87 -1.895 15.288 -1.842 659 HD3 PRO 87 2HD PRO 87 -2.698 16.642 -2.647 660 H GLN 88 H GLN 88 -3.497 12.828 -1.824 661 HA GLN 88 HA GLN 88 -3.393 10.016 -2.794 662 HB2 GLN 88 1HB GLN 88 -3.201 11.147 0.005 663 HB3 GLN 88 2HB GLN 88 -2.928 9.456 -0.477 664 HG2 GLN 88 1HG GLN 88 -0.961 11.815 -1.135 665 HG3 GLN 88 2HG GLN 88 -1.015 10.403 -0.054 666 HE21 GLN 88 2HE2 GLN 88 0.106 11.572 -2.969 667 HE22 GLN 88 1HE2 GLN 88 0.400 10.071 -3.782 668 H GLY 89 H GLY 89 -5.746 12.190 -2.256 669 HA2 GLY 89 1HA GLY 89 -7.982 10.891 -2.551 670 HA3 GLY 89 2HA GLY 89 -7.572 10.224 -0.955 671 H ARG 90 H ARG 90 -9.658 11.184 -0.338 672 HA ARG 90 HA ARG 90 -9.193 13.841 0.848 673 HB2 ARG 90 1HB ARG 90 -11.099 14.901 0.041 674 HB3 ARG 90 2HB ARG 90 -10.047 14.426 -1.314 675 HG2 ARG 90 1HG ARG 90 -11.533 12.526 -1.798 676 HG3 ARG 90 2HG ARG 90 -12.587 13.009 -0.446 677 HD2 ARG 90 1HD ARG 90 -13.023 15.122 -1.593 678 HD3 ARG 90 2HD ARG 90 -12.045 14.549 -2.964 679 HE ARG 90 HE ARG 90 -14.205 12.665 -2.610 680 HH11 ARG 90 1HH1 ARG 90 -13.826 16.024 -3.461 681 HH12 ARG 90 2HH1 ARG 90 -15.270 15.944 -4.449 682 HH21 ARG 90 1HH2 ARG 90 -15.865 12.558 -3.731 683 HH22 ARG 90 2HH2 ARG 90 -16.435 13.967 -4.604 684 H VAL 91 H VAL 91 -10.341 14.246 2.657 685 HA VAL 91 HA VAL 91 -12.442 12.255 3.456 686 HB VAL 91 HB VAL 91 -10.176 13.234 5.245 687 HG11 VAL 91 1HG1 VAL 91 -11.151 11.657 6.881 688 HG12 VAL 91 2HG1 VAL 91 -12.329 12.907 6.414 689 HG13 VAL 91 3HG1 VAL 91 -12.451 11.267 5.730 690 HG21 VAL 91 3HG2 VAL 91 -9.348 11.610 3.650 691 HG22 VAL 91 1HG2 VAL 91 -9.427 10.909 5.283 692 HG23 VAL 91 2HG2 VAL 91 -10.666 10.492 4.075 693 H SER 92 H SER 92 -14.205 13.052 4.204 694 HA SER 92 HA SER 92 -14.415 16.022 4.570 695 HB2 SER 92 1HB SER 92 -16.679 15.774 4.406 696 HB3 SER 92 2HB SER 92 -15.879 14.934 3.057 697 HG SER 92 HG SER 92 -17.584 13.713 3.977 698 H CYS 93 H CYS 93 -15.347 16.932 6.420 699 HA CYS 93 HA CYS 93 -16.164 15.145 8.694 700 HB2 CYS 93 1HB CYS 93 -13.740 15.609 8.905 701 HB3 CYS 93 2HB CYS 93 -14.064 17.354 8.772 702 HG CYS 93 HG CYS 93 -15.100 15.261 11.056 703 H THR 94 H THR 94 -17.974 15.909 9.602 704 HA THR 94 HA THR 94 -19.289 18.193 8.414 705 HB THR 94 HB THR 94 -20.022 16.651 10.938 706 HG1 THR 94 HG1 THR 94 -21.407 15.518 9.451 707 HG21 THR 94 1HG2 THR 94 -22.297 17.494 10.477 708 HG22 THR 94 2HG2 THR 94 -21.156 18.837 10.733 709 HG23 THR 94 3HG2 THR 94 -21.675 18.411 9.085 710 H GLY 95 H GLY 95 -19.217 20.239 8.856 711 HA2 GLY 95 1HA GLY 95 -17.986 21.101 11.426 712 HA3 GLY 95 2HA GLY 95 -18.215 22.108 9.980 713 H ARG 96 H ARG 96 -20.289 20.106 12.123 714 HA ARG 96 HA ARG 96 -22.689 21.518 11.646 715 HB2 ARG 96 1HB ARG 96 -22.581 19.354 12.691 716 HB3 ARG 96 2HB ARG 96 -21.897 20.102 14.153 717 HG2 ARG 96 1HG ARG 96 -23.936 21.366 14.512 718 HG3 ARG 96 2HG ARG 96 -24.619 20.755 12.986 719 HD2 ARG 96 1HD ARG 96 -24.574 18.496 13.916 720 HD3 ARG 96 2HD ARG 96 -23.991 19.170 15.455 721 HE ARG 96 HE ARG 96 -26.576 20.362 14.787 722 HH11 ARG 96 1HH1 ARG 96 -25.195 17.363 15.905 723 HH12 ARG 96 2HH1 ARG 96 -26.680 16.990 16.758 724 HH21 ARG 96 1HH2 ARG 96 -28.287 19.945 15.750 725 HH22 ARG 96 2HH2 ARG 96 -28.444 18.461 16.669 726 H LEU 97 H LEU 97 -23.011 23.597 11.787 727 HA LEU 97 HA LEU 97 -22.374 24.861 14.430 728 HB2 LEU 97 1HB LEU 97 -20.997 25.743 12.857 729 HB3 LEU 97 2HB LEU 97 -22.239 26.097 11.633 730 HG LEU 97 HG LEU 97 -23.272 27.701 13.295 731 HD11 LEU 97 1HD1 LEU 97 -21.775 28.521 15.133 732 HD12 LEU 97 2HD1 LEU 97 -22.163 26.796 15.337 733 HD13 LEU 97 3HD1 LEU 97 -20.577 27.283 14.690 734 HD21 LEU 97 3HD2 LEU 97 -21.952 28.487 11.419 735 HD22 LEU 97 1HD2 LEU 97 -21.647 29.506 12.845 736 HD23 LEU 97 2HD2 LEU 97 -20.450 28.283 12.353 737 H MET 98 H MET 98 -24.146 24.958 15.558 738 HA MET 98 HA MET 98 -26.730 25.486 14.158 739 HB2 MET 98 1HB MET 98 -26.119 24.679 17.003 740 HB3 MET 98 2HB MET 98 -27.740 24.883 16.294 741 HG2 MET 98 1HG MET 98 -25.671 22.843 15.422 742 HG3 MET 98 2HG MET 98 -27.071 22.508 16.467 743 HE1 MET 98 3HE MET 98 -29.430 24.116 15.253 744 HE2 MET 98 1HE MET 98 -30.103 22.959 14.079 745 HE3 MET 98 2HE MET 98 -29.539 22.388 15.668 746 H VAL 99 H VAL 99 -28.074 27.143 14.628 747 HA VAL 99 HA VAL 99 -26.791 29.435 16.115 748 HB VAL 99 HB VAL 99 -28.674 29.489 13.722 749 HG11 VAL 99 1HG1 VAL 99 -28.328 31.936 13.812 750 HG12 VAL 99 2HG1 VAL 99 -29.081 31.340 15.310 751 HG13 VAL 99 3HG1 VAL 99 -27.347 31.743 15.285 752 HG21 VAL 99 3HG2 VAL 99 -26.427 28.845 13.087 753 HG22 VAL 99 1HG2 VAL 99 -26.794 30.494 12.527 754 HG23 VAL 99 2HG2 VAL 99 -25.758 30.249 13.954 755 H GLN 100 H GLN 100 -27.768 30.357 17.705 756 HA GLN 100 HA GLN 100 -30.435 29.219 18.440 757 HB2 GLN 100 1HB GLN 100 -28.398 30.674 20.134 758 HB3 GLN 100 2HB GLN 100 -29.902 29.909 20.700 759 HG2 GLN 100 1HG GLN 100 -27.399 28.291 19.697 760 HG3 GLN 100 2HG GLN 100 -28.138 28.711 21.260 761 HE21 GLN 100 2HE2 GLN 100 -28.015 26.476 18.720 762 HE22 GLN 100 1HE2 GLN 100 -29.422 25.549 19.122 763 H ALA 101 H ALA 101 -32.060 30.504 19.321 764 HA ALA 101 HA ALA 101 -32.330 33.063 17.973 765 HB1 ALA 101 3HB ALA 101 -34.059 31.749 20.098 766 HB2 ALA 101 1HB ALA 101 -34.504 33.173 19.131 767 HB3 ALA 101 2HB ALA 101 -34.265 31.596 18.337 768 H VAL 102 H VAL 102 -32.455 35.113 18.808 769 HA VAL 102 HA VAL 102 -31.046 35.470 21.442 770 HB VAL 102 HB VAL 102 -31.428 37.415 19.131 771 HG11 VAL 102 1HG1 VAL 102 -29.825 38.816 20.388 772 HG12 VAL 102 2HG1 VAL 102 -31.294 38.511 21.343 773 HG13 VAL 102 3HG1 VAL 102 -29.799 37.613 21.699 774 HG21 VAL 102 3HG2 VAL 102 -29.915 35.624 18.519 775 HG22 VAL 102 1HG2 VAL 102 -29.029 37.148 18.755 776 HG23 VAL 102 2HG2 VAL 102 -28.974 35.883 20.007 777 H ASN 103 H ASN 103 -32.062 36.071 23.134 778 HA ASN 103 HA ASN 103 -34.925 36.446 23.035 779 HB2 ASN 103 1HB ASN 103 -33.061 36.852 25.489 780 HB3 ASN 103 2HB ASN 103 -34.801 37.048 25.168 781 HD21 ASN 103 2HD2 ASN 103 -33.257 35.217 26.932 782 HD22 ASN 103 1HD2 ASN 103 -33.801 33.626 26.515 783 H GLN 104 H GLN 104 -32.219 38.641 22.971 784 HA GLN 104 HA GLN 104 -33.942 40.966 23.594 785 HB2 GLN 104 1HB GLN 104 -31.037 40.777 22.763 786 HB3 GLN 104 2HB GLN 104 -31.882 42.253 23.284 787 HG2 GLN 104 1HG GLN 104 -31.145 39.882 25.207 788 HG3 GLN 104 2HG GLN 104 -30.585 41.540 24.887 789 HE21 GLN 104 2HE2 GLN 104 -32.487 39.645 26.852 790 HE22 GLN 104 1HE2 GLN 104 -33.553 40.860 27.476 791 H ARG 105 H ARG 105 -33.257 39.113 20.900 792 HA ARG 105 HA ARG 105 -33.297 41.291 18.937 793 HB2 ARG 105 1HB ARG 105 -32.110 39.262 18.485 794 HB3 ARG 105 2HB ARG 105 -33.636 38.351 18.550 795 HG2 ARG 105 1HG ARG 105 -34.480 39.659 16.633 796 HG3 ARG 105 2HG ARG 105 -32.926 40.526 16.555 797 HD2 ARG 105 1HD ARG 105 -33.246 37.562 16.222 798 HD3 ARG 105 2HD ARG 105 -33.208 38.738 14.888 799 HE ARG 105 HE ARG 105 -30.798 37.826 16.370 800 HH11 ARG 105 1HH1 ARG 105 -32.134 40.260 14.260 801 HH12 ARG 105 2HH1 ARG 105 -30.518 40.732 13.772 802 HH21 ARG 105 1HH2 ARG 105 -28.942 38.349 15.816 803 HH22 ARG 105 2HH2 ARG 105 -28.697 39.643 14.658 804 H GLY 106 H GLY 106 -34.979 42.447 18.471 805 HA2 GLY 106 1HA GLY 106 -37.636 41.717 19.316 806 HA3 GLY 106 2HA GLY 106 -37.191 43.109 18.299 807 H ARG 107 H ARG 107 -35.756 41.035 16.511 808 HA ARG 107 HA ARG 107 -38.144 40.487 14.827 809 HB2 ARG 107 1HB ARG 107 -35.226 40.278 14.222 810 HB3 ARG 107 2HB ARG 107 -36.555 39.881 13.107 811 HG2 ARG 107 1HG ARG 107 -37.337 42.207 13.206 812 HG3 ARG 107 2HG ARG 107 -36.012 42.607 14.327 813 HD2 ARG 107 1HD ARG 107 -34.404 42.047 12.590 814 HD3 ARG 107 2HD ARG 107 -35.748 41.713 11.474 815 HE ARG 107 HE ARG 107 -36.024 44.459 12.285 816 HH11 ARG 107 1HH1 ARG 107 -33.657 42.532 10.599 817 HH12 ARG 107 2HH1 ARG 107 -33.175 43.931 9.662 818 HH21 ARG 107 1HH2 ARG 107 -35.477 46.074 11.225 819 HH22 ARG 107 2HH2 ARG 107 -34.211 45.954 10.019 820 H SER 108 H SER 108 -36.576 38.922 17.256 821 HA SER 108 HA SER 108 -36.204 36.228 16.286 822 HB2 SER 108 1HB SER 108 -35.225 36.962 18.261 823 HB3 SER 108 2HB SER 108 -36.819 37.220 19.003 824 HG SER 108 HG SER 108 -35.902 35.194 19.550 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 5.503 3.616 5.624 2 H2 GLY 1 2H GLY 1 5.072 2.315 5.009 3 H3 GLY 1 3H GLY 1 5.753 3.354 4.168 4 HA2 GLY 1 1HA GLY 1 2.945 3.095 4.509 5 HA3 GLY 1 2HA GLY 1 3.456 4.636 5.237 6 H GLY 2 H GLY 2 3.071 2.798 2.284 7 HA2 GLY 2 1HA GLY 2 2.879 3.487 0.083 8 HA3 GLY 2 2HA GLY 2 2.690 5.147 0.691 9 H SER 3 H SER 3 4.086 6.452 -0.273 10 HA SER 3 HA SER 3 7.009 5.700 -0.364 11 HB2 SER 3 1HB SER 3 6.068 4.974 -2.426 12 HB3 SER 3 2HB SER 3 5.533 6.639 -2.749 13 HG SER 3 HG SER 3 7.572 6.166 -3.677 14 H ASN 4 H ASN 4 7.080 7.293 1.397 15 HA ASN 4 HA ASN 4 7.387 9.444 2.231 16 HB2 ASN 4 1HB ASN 4 9.077 9.429 0.017 17 HB3 ASN 4 2HB ASN 4 7.617 10.343 -0.432 18 HD21 ASN 4 2HD2 ASN 4 9.247 12.028 -0.776 19 HD22 ASN 4 1HD2 ASN 4 9.683 13.032 0.567 20 H ALA 5 H ALA 5 4.763 8.822 1.924 21 HA ALA 5 HA ALA 5 3.625 11.498 1.559 22 HB1 ALA 5 3HB ALA 5 2.693 9.180 -0.168 23 HB2 ALA 5 1HB ALA 5 1.901 10.768 -0.044 24 HB3 ALA 5 2HB ALA 5 3.535 10.641 -0.736 25 H THR 6 H THR 6 1.481 11.714 2.354 26 HA THR 6 HA THR 6 0.496 9.429 3.997 27 HB THR 6 HB THR 6 1.015 12.212 5.112 28 HG1 THR 6 HG1 THR 6 2.245 9.689 5.669 29 HG21 THR 6 1HG2 THR 6 0.267 11.216 7.244 30 HG22 THR 6 2HG2 THR 6 -1.020 11.142 6.015 31 HG23 THR 6 3HG2 THR 6 -0.079 9.684 6.407 32 H ALA 7 H ALA 7 -1.575 9.149 3.844 33 HA ALA 7 HA ALA 7 -3.202 10.899 2.257 34 HB1 ALA 7 3HB ALA 7 -4.008 8.676 4.162 35 HB2 ALA 7 1HB ALA 7 -5.062 9.439 2.948 36 HB3 ALA 7 2HB ALA 7 -3.649 8.494 2.428 37 HA PRO 8 HA PRO 8 -4.618 13.987 5.016 38 HB2 PRO 8 1HB PRO 8 -7.374 13.392 3.864 39 HB3 PRO 8 2HB PRO 8 -6.528 14.943 3.954 40 HG2 PRO 8 1HG PRO 8 -6.700 13.684 1.610 41 HG3 PRO 8 2HG PRO 8 -5.185 14.478 2.059 42 HD2 PRO 8 1HD PRO 8 -5.870 11.511 2.126 43 HD3 PRO 8 2HD PRO 8 -4.359 12.290 1.642 44 H PHE 9 H PHE 9 -5.159 14.061 7.024 45 HA PHE 9 HA PHE 9 -7.265 12.309 8.105 46 HB2 PHE 9 1HB PHE 9 -5.352 10.773 8.195 47 HB3 PHE 9 2HB PHE 9 -4.361 12.015 8.992 48 HD1 PHE 9 HD1 PHE 9 -7.345 9.859 9.395 49 HD2 PHE 9 HD2 PHE 9 -4.399 12.301 11.296 50 HE1 PHE 9 HE1 PHE 9 -8.088 9.034 11.604 51 HE2 PHE 9 HE2 PHE 9 -5.138 11.476 13.506 52 HZ PHE 9 HZ PHE 9 -6.985 9.842 13.659 53 H PHE 10 H PHE 10 -8.411 13.407 9.463 54 HA PHE 10 HA PHE 10 -7.552 16.013 10.416 55 HB2 PHE 10 1HB PHE 10 -9.949 14.264 11.112 56 HB3 PHE 10 2HB PHE 10 -9.706 15.919 11.715 57 HD1 PHE 10 HD2 PHE 10 -9.319 17.730 9.882 58 HD2 PHE 10 HD1 PHE 10 -11.159 13.934 9.213 59 HE1 PHE 10 HE2 PHE 10 -10.436 18.630 7.869 60 HE2 PHE 10 HE1 PHE 10 -12.277 14.828 7.198 61 HZ PHE 10 HZ PHE 10 -11.915 17.177 6.526 62 H GLU 11 H GLU 11 -5.579 15.530 11.470 63 HA GLU 11 HA GLU 11 -5.494 14.069 13.952 64 HB2 GLU 11 1HB GLU 11 -3.453 15.166 14.357 65 HB3 GLU 11 2HB GLU 11 -3.532 14.815 12.614 66 HG2 GLU 11 1HG GLU 11 -4.130 17.243 12.186 67 HG3 GLU 11 2HG GLU 11 -4.105 17.425 13.955 68 H MET 12 H MET 12 -6.738 17.211 13.097 69 HA MET 12 HA MET 12 -7.860 17.281 15.870 70 HB2 MET 12 1HB MET 12 -6.102 18.964 15.702 71 HB3 MET 12 2HB MET 12 -6.889 19.641 14.254 72 HG2 MET 12 1HG MET 12 -8.825 20.293 15.567 73 HG3 MET 12 2HG MET 12 -8.138 19.521 17.016 74 HE1 MET 12 3HE MET 12 -8.236 22.624 14.711 75 HE2 MET 12 1HE MET 12 -6.709 23.466 15.071 76 HE3 MET 12 2HE MET 12 -6.687 21.921 14.185 77 H LYS 13 H LYS 13 -9.939 16.989 15.801 78 HA LYS 13 HA LYS 13 -11.305 17.432 13.186 79 HB2 LYS 13 1HB LYS 13 -12.082 15.835 15.628 80 HB3 LYS 13 2HB LYS 13 -13.049 15.984 14.142 81 HG2 LYS 13 1HG LYS 13 -11.237 14.906 12.862 82 HG3 LYS 13 2HG LYS 13 -10.285 14.741 14.356 83 HD2 LYS 13 1HD LYS 13 -12.023 13.316 15.330 84 HD3 LYS 13 2HD LYS 13 -13.018 13.510 13.868 85 HE2 LYS 13 1HE LYS 13 -11.245 12.445 12.528 86 HE3 LYS 13 2HE LYS 13 -10.270 12.233 14.000 87 HZ1 LYS 13 3HZ LYS 13 -12.915 11.025 13.509 88 HZ2 LYS 13 1HZ LYS 13 -11.471 10.232 13.433 89 HZ3 LYS 13 2HZ LYS 13 -12.011 10.828 14.875 90 H LEU 14 H LEU 14 -13.579 18.082 13.227 91 HA LEU 14 HA LEU 14 -13.889 20.484 14.904 92 HB2 LEU 14 1HB LEU 14 -15.562 19.157 12.876 93 HB3 LEU 14 2HB LEU 14 -16.027 20.748 13.523 94 HG LEU 14 HG LEU 14 -13.578 20.090 11.841 95 HD11 LEU 14 1HD1 LEU 14 -14.641 21.660 10.198 96 HD12 LEU 14 2HD1 LEU 14 -15.706 20.281 10.556 97 HD13 LEU 14 3HD1 LEU 14 -16.016 21.865 11.307 98 HD21 LEU 14 3HD2 LEU 14 -13.012 21.723 13.541 99 HD22 LEU 14 1HD2 LEU 14 -13.070 22.505 11.944 100 HD23 LEU 14 2HD2 LEU 14 -14.415 22.721 13.091 101 H LYS 15 H LYS 15 -16.092 20.932 15.832 102 HA LYS 15 HA LYS 15 -17.351 18.465 16.954 103 HB2 LYS 15 1HB LYS 15 -17.519 19.468 19.125 104 HB3 LYS 15 2HB LYS 15 -15.813 19.347 18.631 105 HG2 LYS 15 1HG LYS 15 -15.838 21.749 18.026 106 HG3 LYS 15 2HG LYS 15 -17.526 21.856 18.584 107 HD2 LYS 15 1HD LYS 15 -16.802 21.153 20.847 108 HD3 LYS 15 2HD LYS 15 -15.115 21.114 20.278 109 HE2 LYS 15 1HE LYS 15 -15.229 23.506 19.749 110 HE3 LYS 15 2HE LYS 15 -16.921 23.552 20.292 111 HZ1 LYS 15 3HZ LYS 15 -14.594 22.905 21.985 112 HZ2 LYS 15 1HZ LYS 15 -15.419 24.333 21.994 113 HZ3 LYS 15 2HZ LYS 15 -16.164 22.947 22.490 114 H HIS 16 H HIS 16 -19.405 19.157 18.221 115 HA HIS 16 HA HIS 16 -21.134 20.585 16.366 116 HB2 HIS 16 1HB HIS 16 -21.935 18.693 17.817 117 HB3 HIS 16 2HB HIS 16 -21.697 19.734 19.242 118 HD1 HIS 16 HD1 HIS 16 -24.373 18.980 19.320 119 HD2 HIS 16 HD2 HIS 16 -23.284 22.024 16.617 120 HE1 HIS 16 HE1 HIS 16 -26.448 20.121 18.717 121 H TYR 17 H TYR 17 -21.012 22.664 16.059 122 HA TYR 17 HA TYR 17 -20.201 24.413 18.333 123 HB2 TYR 17 1HB TYR 17 -20.498 24.959 15.370 124 HB3 TYR 17 2HB TYR 17 -19.941 26.126 16.594 125 HD1 TYR 17 HD2 TYR 17 -17.827 25.462 17.945 126 HD2 TYR 17 HD1 TYR 17 -18.931 23.609 14.267 127 HE1 TYR 17 HE2 TYR 17 -15.503 24.671 17.659 128 HE2 TYR 17 HE1 TYR 17 -16.606 22.808 13.963 129 HH TYR 17 HH TYR 17 -14.041 23.532 16.334 130 H LYS 18 H LYS 18 -21.360 26.072 19.113 131 HA LYS 18 HA LYS 18 -24.078 26.525 17.955 132 HB2 LYS 18 1HB LYS 18 -23.389 26.065 20.861 133 HB3 LYS 18 2HB LYS 18 -24.935 26.729 20.281 134 HG2 LYS 18 1HG LYS 18 -25.311 24.624 19.001 135 HG3 LYS 18 2HG LYS 18 -23.817 23.963 19.709 136 HD2 LYS 18 1HD LYS 18 -24.776 24.244 21.969 137 HD3 LYS 18 2HD LYS 18 -26.276 24.870 21.244 138 HE2 LYS 18 1HE LYS 18 -26.595 22.737 20.062 139 HE3 LYS 18 2HE LYS 18 -25.099 22.110 20.792 140 HZ1 LYS 18 3HZ LYS 18 -27.515 22.932 22.272 141 HZ2 LYS 18 1HZ LYS 18 -27.047 21.376 21.987 142 HZ3 LYS 18 2HZ LYS 18 -26.127 22.350 22.949 143 H ILE 19 H ILE 19 -24.805 28.550 17.941 144 HA ILE 19 HA ILE 19 -23.376 30.667 19.442 145 HB ILE 19 HB ILE 19 -22.096 30.308 17.237 146 HG12 ILE 19 1HG1 ILE 19 -22.118 32.734 16.678 147 HG13 ILE 19 2HG1 ILE 19 -23.437 32.923 17.856 148 HG21 ILE 19 1HG2 ILE 19 -23.179 31.215 15.209 149 HG22 ILE 19 2HG2 ILE 19 -24.061 29.801 15.828 150 HG23 ILE 19 3HG2 ILE 19 -24.693 31.438 16.117 151 HD11 ILE 19 3HD1 ILE 19 -20.645 31.891 18.465 152 HD12 ILE 19 1HD1 ILE 19 -21.263 33.513 18.854 153 HD13 ILE 19 2HD1 ILE 19 -21.965 32.079 19.643 154 H PHE 20 H PHE 20 -24.433 32.559 19.669 155 HA PHE 20 HA PHE 20 -27.324 32.471 19.162 156 HB2 PHE 20 1HB PHE 20 -25.434 34.425 20.494 157 HB3 PHE 20 2HB PHE 20 -27.103 34.893 20.100 158 HD1 PHE 20 HD2 PHE 20 -28.990 33.564 21.066 159 HD2 PHE 20 HD1 PHE 20 -24.944 33.155 22.375 160 HE1 PHE 20 HE2 PHE 20 -29.778 32.536 23.172 161 HE2 PHE 20 HE1 PHE 20 -25.727 32.124 24.481 162 HZ PHE 20 HZ PHE 20 -28.146 31.814 24.879 163 H GLU 21 H GLU 21 -28.532 33.746 17.847 164 HA GLU 21 HA GLU 21 -27.495 34.185 15.242 165 HB2 GLU 21 1HB GLU 21 -29.878 33.899 15.824 166 HB3 GLU 21 2HB GLU 21 -29.864 35.516 16.568 167 HG2 GLU 21 1HG GLU 21 -29.309 36.494 14.268 168 HG3 GLU 21 2HG GLU 21 -29.375 34.809 13.705 169 H GLY 22 H GLY 22 -26.196 35.607 14.418 170 HA2 GLY 22 1HA GLY 22 -25.847 37.906 13.777 171 HA3 GLY 22 2HA GLY 22 -26.421 38.419 15.379 172 H MET 23 H MET 23 -24.692 35.983 16.355 173 HA MET 23 HA MET 23 -22.367 37.702 16.966 174 HB2 MET 23 1HB MET 23 -23.109 34.922 17.876 175 HB3 MET 23 2HB MET 23 -21.761 35.905 18.497 176 HG2 MET 23 1HG MET 23 -24.706 36.608 18.706 177 HG3 MET 23 2HG MET 23 -23.722 35.903 20.011 178 HE1 MET 23 3HE MET 23 -21.000 37.308 19.977 179 HE2 MET 23 1HE MET 23 -21.291 38.746 20.985 180 HE3 MET 23 2HE MET 23 -22.005 37.180 21.441 181 HA PRO 24 HA PRO 24 -19.614 35.786 14.153 182 HB2 PRO 24 1HB PRO 24 -17.210 36.306 15.377 183 HB3 PRO 24 2HB PRO 24 -18.170 37.634 14.705 184 HG2 PRO 24 1HG PRO 24 -17.971 36.689 17.585 185 HG3 PRO 24 2HG PRO 24 -17.924 38.341 16.952 186 HD2 PRO 24 1HD PRO 24 -20.225 37.255 18.007 187 HD3 PRO 24 2HD PRO 24 -20.275 38.455 16.704 188 H VAL 25 H VAL 25 -18.331 34.033 13.781 189 HA VAL 25 HA VAL 25 -17.974 32.122 16.071 190 HB VAL 25 HB VAL 25 -19.085 31.407 13.321 191 HG11 VAL 25 1HG1 VAL 25 -19.308 29.144 14.290 192 HG12 VAL 25 2HG1 VAL 25 -17.610 29.677 14.293 193 HG13 VAL 25 3HG1 VAL 25 -18.559 29.716 15.799 194 HG21 VAL 25 3HG2 VAL 25 -20.770 32.524 14.657 195 HG22 VAL 25 1HG2 VAL 25 -21.134 30.790 14.501 196 HG23 VAL 25 2HG2 VAL 25 -20.449 31.420 16.017 197 H THR 26 H THR 26 -16.054 31.406 16.284 198 HA THR 26 HA THR 26 -14.301 31.302 13.855 199 HB THR 26 HB THR 26 -13.462 32.203 16.644 200 HG1 THR 26 HG1 THR 26 -13.929 33.620 14.213 201 HG21 THR 26 1HG2 THR 26 -11.304 32.702 15.551 202 HG22 THR 26 2HG2 THR 26 -11.706 30.974 15.415 203 HG23 THR 26 3HG2 THR 26 -11.929 32.052 14.018 204 H PHE 27 H PHE 27 -13.622 29.371 13.427 205 HA PHE 27 HA PHE 27 -12.360 27.796 15.556 206 HB2 PHE 27 1HB PHE 27 -13.683 25.743 15.117 207 HB3 PHE 27 2HB PHE 27 -14.708 27.036 15.780 208 HD1 PHE 27 HD2 PHE 27 -16.341 28.163 14.393 209 HD2 PHE 27 HD1 PHE 27 -13.979 24.930 12.902 210 HE1 PHE 27 HE2 PHE 27 -17.905 27.898 12.496 211 HE2 PHE 27 HE1 PHE 27 -15.540 24.664 11.003 212 HZ PHE 27 HZ PHE 27 -17.503 26.149 10.800 213 H THR 28 H THR 28 -11.410 25.750 14.667 214 HA THR 28 HA THR 28 -10.579 26.052 11.835 215 HB THR 28 HB THR 28 -9.070 27.584 13.137 216 HG1 THR 28 HG1 THR 28 -7.141 26.588 12.302 217 HG21 THR 28 1HG2 THR 28 -7.431 26.572 14.682 218 HG22 THR 28 2HG2 THR 28 -9.094 26.348 15.277 219 HG23 THR 28 3HG2 THR 28 -8.235 24.995 14.504 220 H CYS 29 H CYS 29 -9.167 24.349 11.098 221 HA CYS 29 HA CYS 29 -9.342 21.809 12.738 222 HB2 CYS 29 1HB CYS 29 -11.276 22.291 11.103 223 HB3 CYS 29 2HB CYS 29 -10.071 22.107 9.806 224 HG CYS 29 HG CYS 29 -11.052 19.986 12.083 225 H ARG 30 H ARG 30 -7.753 20.301 12.254 226 HA ARG 30 HA ARG 30 -5.574 21.202 10.411 227 HB2 ARG 30 1HB ARG 30 -4.964 21.993 12.557 228 HB3 ARG 30 2HB ARG 30 -5.202 20.373 13.254 229 HG2 ARG 30 1HG ARG 30 -3.368 19.494 11.914 230 HG3 ARG 30 2HG ARG 30 -3.157 21.078 11.126 231 HD2 ARG 30 1HD ARG 30 -2.484 22.052 13.210 232 HD3 ARG 30 2HD ARG 30 -2.765 20.507 14.047 233 HE ARG 30 HE ARG 30 -0.725 20.000 12.093 234 HH11 ARG 30 1HH1 ARG 30 -1.099 22.066 14.876 235 HH12 ARG 30 2HH1 ARG 30 0.624 21.978 15.181 236 HH21 ARG 30 1HH2 ARG 30 1.253 19.896 12.423 237 HH22 ARG 30 2HH2 ARG 30 1.966 20.741 13.782 238 H VAL 31 H VAL 31 -4.533 19.682 9.313 239 HA VAL 31 HA VAL 31 -5.240 16.811 9.897 240 HB VAL 31 HB VAL 31 -5.210 16.412 7.457 241 HG11 VAL 31 1HG1 VAL 31 -7.361 17.499 6.902 242 HG12 VAL 31 2HG1 VAL 31 -7.373 16.865 8.566 243 HG13 VAL 31 3HG1 VAL 31 -7.155 18.609 8.278 244 HG21 VAL 31 3HG2 VAL 31 -3.732 18.213 6.794 245 HG22 VAL 31 1HG2 VAL 31 -5.256 18.278 5.879 246 HG23 VAL 31 2HG2 VAL 31 -4.975 19.415 7.218 247 H ALA 32 H ALA 32 -3.753 15.272 9.576 248 HA ALA 32 HA ALA 32 -0.970 16.277 9.247 249 HB1 ALA 32 3HB ALA 32 -2.010 13.593 10.222 250 HB2 ALA 32 1HB ALA 32 -0.301 14.082 10.144 251 HB3 ALA 32 2HB ALA 32 -1.415 14.923 11.246 252 H GLY 33 H GLY 33 -1.673 16.610 6.921 253 HA2 GLY 33 1HA GLY 33 -1.623 14.044 5.393 254 HA3 GLY 33 2HA GLY 33 -2.274 15.592 4.804 255 H ASN 34 H ASN 34 -0.420 13.991 3.374 256 HA ASN 34 HA ASN 34 1.614 16.055 2.906 257 HB2 ASN 34 3HB ASN 34 2.583 14.521 4.768 258 HB3 ASN 34 2HB ASN 34 2.499 13.170 3.662 259 HD21 ASN 34 2HD2 ASN 34 4.831 13.994 4.923 260 HD22 ASN 34 1HD2 ASN 34 5.944 14.533 3.556 261 HA PRO 35 HA PRO 35 2.280 16.994 1.554 262 HB2 PRO 35 1HB PRO 35 0.696 17.993 -0.802 263 HB3 PRO 35 2HB PRO 35 2.418 18.215 -0.459 264 HG2 PRO 35 1HG PRO 35 1.630 16.558 -2.422 265 HG3 PRO 35 2HG PRO 35 3.018 16.143 -1.407 266 HD2 PRO 35 1HD PRO 35 0.148 15.111 -1.216 267 HD3 PRO 35 2HD PRO 35 1.660 14.200 -1.105 268 H LYS 36 H LYS 36 1.304 19.019 2.147 269 HA LYS 36 HA LYS 36 -0.981 18.557 3.801 270 HB2 LYS 36 1HB LYS 36 0.458 21.013 2.848 271 HB3 LYS 36 2HB LYS 36 -1.029 21.129 3.818 272 HG2 LYS 36 1HG LYS 36 0.994 21.328 5.216 273 HG3 LYS 36 2HG LYS 36 0.027 19.896 5.640 274 HD2 LYS 36 1HD LYS 36 1.542 18.531 4.172 275 HD3 LYS 36 2HD LYS 36 2.563 19.975 3.975 276 HE2 LYS 36 1HE LYS 36 3.468 18.534 5.717 277 HE3 LYS 36 2HE LYS 36 2.899 20.070 6.410 278 HZ1 LYS 36 3HZ LYS 36 1.425 17.514 6.463 279 HZ2 LYS 36 1HZ LYS 36 2.221 18.189 7.740 280 HZ3 LYS 36 2HZ LYS 36 0.896 18.939 7.105 281 HA PRO 37 HA PRO 37 -4.086 18.618 0.633 282 HB2 PRO 37 1HB PRO 37 -5.824 18.676 3.134 283 HB3 PRO 37 2HB PRO 37 -5.925 17.585 1.745 284 HG2 PRO 37 1HG PRO 37 -4.911 16.692 4.046 285 HG3 PRO 37 2HG PRO 37 -4.160 16.211 2.518 286 HD2 PRO 37 1HD PRO 37 -3.194 18.247 4.554 287 HD3 PRO 37 2HD PRO 37 -2.247 17.156 3.534 288 H LYS 38 H LYS 38 -5.306 20.091 -0.306 289 HA LYS 38 HA LYS 38 -5.143 22.832 0.755 290 HB2 LYS 38 1HB LYS 38 -6.436 21.670 -1.713 291 HB3 LYS 38 2HB LYS 38 -6.370 23.402 -1.311 292 HG2 LYS 38 1HG LYS 38 -3.891 23.295 -1.374 293 HG3 LYS 38 2HG LYS 38 -3.998 21.585 -1.858 294 HD2 LYS 38 1HD LYS 38 -5.240 22.233 -3.882 295 HD3 LYS 38 2HD LYS 38 -5.135 23.942 -3.400 296 HE2 LYS 38 1HE LYS 38 -2.690 23.840 -3.521 297 HE3 LYS 38 2HE LYS 38 -2.776 22.121 -3.969 298 HZ1 LYS 38 3HZ LYS 38 -3.864 24.362 -5.550 299 HZ2 LYS 38 1HZ LYS 38 -2.482 23.528 -5.892 300 HZ3 LYS 38 2HZ LYS 38 -3.944 22.766 -5.966 301 H ILE 39 H ILE 39 -6.340 22.224 2.735 302 HA ILE 39 HA ILE 39 -8.927 21.192 2.864 303 HB ILE 39 HB ILE 39 -7.676 23.449 4.495 304 HG12 ILE 39 1HG1 ILE 39 -8.122 20.552 5.164 305 HG13 ILE 39 2HG1 ILE 39 -6.597 21.241 4.560 306 HG21 ILE 39 1HG2 ILE 39 -9.467 23.025 6.144 307 HG22 ILE 39 2HG2 ILE 39 -10.142 23.586 4.597 308 HG23 ILE 39 3HG2 ILE 39 -10.220 21.862 5.029 309 HD11 ILE 39 3HD1 ILE 39 -7.989 22.001 7.152 310 HD12 ILE 39 1HD1 ILE 39 -6.546 20.974 7.009 311 HD13 ILE 39 2HD1 ILE 39 -6.465 22.691 6.548 312 H TYR 40 H TYR 40 -10.734 21.576 1.962 313 HA TYR 40 HA TYR 40 -11.406 24.428 1.304 314 HB2 TYR 40 1HB TYR 40 -12.557 21.852 0.209 315 HB3 TYR 40 2HB TYR 40 -13.031 23.503 -0.257 316 HD1 TYR 40 HD2 TYR 40 -11.098 25.009 -1.191 317 HD2 TYR 40 HD1 TYR 40 -10.925 20.752 -1.049 318 HE1 TYR 40 HE2 TYR 40 -9.342 25.034 -2.931 319 HE2 TYR 40 HE1 TYR 40 -9.164 20.757 -2.792 320 HH TYR 40 HH TYR 40 -7.945 23.787 -4.226 321 H TRP 41 H TRP 41 -13.351 25.303 1.855 322 HA TRP 41 HA TRP 41 -15.013 23.676 3.756 323 HB2 TRP 41 1HB TRP 41 -14.521 26.681 3.659 324 HB3 TRP 41 2HB TRP 41 -15.749 25.897 4.680 325 HD1 TRP 41 HD1 TRP 41 -12.099 26.373 4.285 326 HE1 TRP 41 HE1 TRP 41 -10.849 25.722 6.591 327 HE3 TRP 41 HE3 TRP 41 -16.083 24.396 6.745 328 HZ2 TRP 41 HZ2 TRP 41 -11.610 24.557 8.979 329 HZ3 TRP 41 HZ3 TRP 41 -15.820 23.534 8.988 330 HH2 TRP 41 HH2 TRP 41 -13.650 23.587 10.140 331 H PHE 42 H PHE 42 -17.122 23.440 3.430 332 HA PHE 42 HA PHE 42 -18.541 25.354 1.684 333 HB2 PHE 42 1HB PHE 42 -19.588 23.520 0.348 334 HB3 PHE 42 2HB PHE 42 -17.839 23.651 0.057 335 HD1 PHE 42 HD2 PHE 42 -16.300 21.992 0.994 336 HD2 PHE 42 HD1 PHE 42 -20.542 21.585 1.293 337 HE1 PHE 42 HE2 PHE 42 -16.030 19.589 1.510 338 HE2 PHE 42 HE1 PHE 42 -20.277 19.182 1.813 339 HZ PHE 42 HZ PHE 42 -18.021 18.185 1.921 340 H LYS 43 H LYS 43 -20.740 25.455 1.993 341 HA LYS 43 HA LYS 43 -21.539 24.241 4.621 342 HB2 LYS 43 1HB LYS 43 -21.188 26.743 4.444 343 HB3 LYS 43 2HB LYS 43 -22.600 26.768 3.362 344 HG2 LYS 43 1HG LYS 43 -22.932 25.422 6.003 345 HG3 LYS 43 2HG LYS 43 -22.777 27.195 6.015 346 HD2 LYS 43 1HD LYS 43 -24.585 27.231 4.223 347 HD3 LYS 43 2HD LYS 43 -24.841 25.506 4.576 348 HE2 LYS 43 1HE LYS 43 -25.088 26.250 7.032 349 HE3 LYS 43 2HE LYS 43 -25.268 27.893 6.375 350 HZ1 LYS 43 3HZ LYS 43 -26.967 25.579 5.694 351 HZ2 LYS 43 1HZ LYS 43 -27.394 26.822 6.690 352 HZ3 LYS 43 2HZ LYS 43 -27.134 27.103 5.084 353 H ASP 44 H ASP 44 -22.862 22.623 4.408 354 HA ASP 44 HA ASP 44 -24.518 21.245 3.527 355 HB2 ASP 44 1HB ASP 44 -25.889 23.955 3.003 356 HB3 ASP 44 2HB ASP 44 -26.517 22.295 2.844 357 H GLY 45 H GLY 45 -22.336 22.006 1.775 358 HA2 GLY 45 1HA GLY 45 -21.975 20.988 -0.357 359 HA3 GLY 45 2HA GLY 45 -23.703 21.195 -0.736 360 H LYS 46 H LYS 46 -22.771 24.013 0.681 361 HA LYS 46 HA LYS 46 -22.496 25.330 -1.980 362 HB2 LYS 46 1HB LYS 46 -23.034 26.457 0.773 363 HB3 LYS 46 2HB LYS 46 -22.975 27.387 -0.744 364 HG2 LYS 46 1HG LYS 46 -24.927 26.196 -1.589 365 HG3 LYS 46 2HG LYS 46 -24.960 25.171 -0.134 366 HD2 LYS 46 1HD LYS 46 -25.386 27.140 1.263 367 HD3 LYS 46 2HD LYS 46 -25.310 28.188 -0.173 368 HE2 LYS 46 1HE LYS 46 -27.223 26.914 -1.141 369 HE3 LYS 46 2HE LYS 46 -27.338 26.003 0.383 370 HZ1 LYS 46 3HZ LYS 46 -27.660 28.922 0.103 371 HZ2 LYS 46 1HZ LYS 46 -28.884 27.840 0.327 372 HZ3 LYS 46 2HZ LYS 46 -27.767 28.077 1.516 373 H GLN 47 H GLN 47 -20.460 25.246 -2.638 374 HA GLN 47 HA GLN 47 -18.141 25.280 -1.043 375 HB2 GLN 47 1HB GLN 47 -18.252 24.793 -3.473 376 HB3 GLN 47 2HB GLN 47 -18.510 26.528 -3.774 377 HG2 GLN 47 1HG GLN 47 -16.038 26.891 -2.709 378 HG3 GLN 47 2HG GLN 47 -16.288 25.135 -2.563 379 HE21 GLN 47 2HE2 GLN 47 -14.054 26.055 -3.825 380 HE22 GLN 47 1HE2 GLN 47 -14.165 25.772 -5.530 381 H ILE 48 H ILE 48 -17.111 26.670 0.148 382 HA ILE 48 HA ILE 48 -18.075 29.507 0.146 383 HB ILE 48 HB ILE 48 -16.400 27.932 2.161 384 HG12 ILE 48 1HG1 ILE 48 -19.195 29.003 2.427 385 HG13 ILE 48 2HG1 ILE 48 -18.794 27.330 1.977 386 HG21 ILE 48 1HG2 ILE 48 -16.648 29.929 3.596 387 HG22 ILE 48 2HG2 ILE 48 -15.783 30.325 2.094 388 HG23 ILE 48 3HG2 ILE 48 -17.494 30.773 2.277 389 HD11 ILE 48 3HD1 ILE 48 -18.028 28.705 4.576 390 HD12 ILE 48 1HD1 ILE 48 -19.323 27.504 4.377 391 HD13 ILE 48 2HD1 ILE 48 -17.625 27.032 4.126 392 H SER 49 H SER 49 -17.044 31.040 -0.764 393 HA SER 49 HA SER 49 -14.240 30.739 -1.689 394 HB2 SER 49 1HB SER 49 -15.729 31.774 -3.107 395 HB3 SER 49 2HB SER 49 -16.178 32.965 -1.864 396 HG SER 49 HG SER 49 -13.973 33.638 -1.883 397 HA PRO 50 HA PRO 50 -12.475 32.309 2.135 398 HB2 PRO 50 1HB PRO 50 -10.242 32.978 0.184 399 HB3 PRO 50 2HB PRO 50 -10.142 32.107 1.719 400 HG2 PRO 50 1HG PRO 50 -9.973 30.747 -0.570 401 HG3 PRO 50 2HG PRO 50 -10.905 30.073 0.773 402 HD2 PRO 50 1HD PRO 50 -11.921 31.464 -1.739 403 HD3 PRO 50 2HD PRO 50 -12.583 30.050 -0.909 404 H LYS 51 H LYS 51 -12.464 34.181 3.085 405 HA LYS 51 HA LYS 51 -12.781 36.466 3.371 406 HB2 LYS 51 1HB LYS 51 -11.315 36.571 0.728 407 HB3 LYS 51 2HB LYS 51 -11.619 37.954 1.805 408 HG2 LYS 51 1HG LYS 51 -10.254 36.884 3.558 409 HG3 LYS 51 2HG LYS 51 -9.941 35.510 2.469 410 HD2 LYS 51 1HD LYS 51 -8.844 37.028 0.869 411 HD3 LYS 51 2HD LYS 51 -9.157 38.401 1.958 412 HE2 LYS 51 1HE LYS 51 -7.767 37.392 3.684 413 HE3 LYS 51 2HE LYS 51 -7.512 35.954 2.670 414 HZ1 LYS 51 3HZ LYS 51 -6.619 38.689 2.020 415 HZ2 LYS 51 1HZ LYS 51 -5.650 37.466 2.553 416 HZ3 LYS 51 2HZ LYS 51 -6.382 37.355 1.080 417 H SER 52 H SER 52 -15.032 35.349 2.658 418 HA SER 52 HA SER 52 -16.213 36.790 0.311 419 HB2 SER 52 1HB SER 52 -16.599 34.438 0.667 420 HB3 SER 52 2HB SER 52 -17.512 34.864 2.132 421 HG SER 52 HG SER 52 -18.851 34.691 0.289 422 H ASP 53 H ASP 53 -18.784 37.030 1.257 423 HA ASP 53 HA ASP 53 -18.759 39.631 2.397 424 HB2 ASP 53 1HB ASP 53 -21.030 37.551 2.297 425 HB3 ASP 53 2HB ASP 53 -21.058 39.223 2.909 426 H HIS 54 H HIS 54 -19.281 36.475 3.953 427 HA HIS 54 HA HIS 54 -18.607 37.777 6.553 428 HB2 HIS 54 1HB HIS 54 -20.985 35.923 6.076 429 HB3 HIS 54 2HB HIS 54 -20.409 36.469 7.669 430 HD2 HIS 54 HD2 HIS 54 -22.888 37.649 4.901 431 HE1 HIS 54 HE1 HIS 54 -22.171 40.880 7.566 432 HE2 HIS 54 HE2 HIS 54 -23.635 39.933 5.599 433 H TYR 55 H TYR 55 -17.915 35.466 4.315 434 HA TYR 55 HA TYR 55 -17.097 33.444 6.372 435 HB2 TYR 55 1HB TYR 55 -17.661 33.180 3.416 436 HB3 TYR 55 2HB TYR 55 -16.998 31.884 4.446 437 HD1 TYR 55 HD1 TYR 55 -18.870 33.010 6.832 438 HD2 TYR 55 HD2 TYR 55 -19.542 31.593 2.867 439 HE1 TYR 55 HE1 TYR 55 -21.171 32.337 7.469 440 HE2 TYR 55 HE2 TYR 55 -21.837 30.913 3.482 441 HH TYR 55 HH TYR 55 -23.464 31.955 6.132 442 H THR 56 H THR 56 -15.145 34.164 7.004 443 HA THR 56 HA THR 56 -13.098 34.638 4.888 444 HB THR 56 HB THR 56 -12.990 35.101 7.899 445 HG1 THR 56 HG1 THR 56 -13.042 37.323 7.209 446 HG21 THR 56 1HG2 THR 56 -10.885 36.294 7.401 447 HG22 THR 56 2HG2 THR 56 -10.779 34.582 6.927 448 HG23 THR 56 3HG2 THR 56 -11.030 35.835 5.689 449 H ILE 57 H ILE 57 -11.708 33.181 4.313 450 HA ILE 57 HA ILE 57 -11.172 30.901 6.205 451 HB ILE 57 HB ILE 57 -11.157 30.938 3.150 452 HG12 ILE 57 1HG1 ILE 57 -12.920 29.415 5.049 453 HG13 ILE 57 2HG1 ILE 57 -13.373 30.919 4.212 454 HG21 ILE 57 1HG2 ILE 57 -10.639 28.529 3.345 455 HG22 ILE 57 2HG2 ILE 57 -9.362 29.519 4.087 456 HG23 ILE 57 3HG2 ILE 57 -10.553 28.690 5.114 457 HD11 ILE 57 3HD1 ILE 57 -12.632 28.292 2.875 458 HD12 ILE 57 1HD1 ILE 57 -14.277 28.944 3.047 459 HD13 ILE 57 2HD1 ILE 57 -13.084 29.795 2.038 460 H GLN 58 H GLN 58 -9.267 30.626 6.953 461 HA GLN 58 HA GLN 58 -6.980 31.833 5.434 462 HB2 GLN 58 1HB GLN 58 -7.406 33.102 7.458 463 HB3 GLN 58 2HB GLN 58 -7.402 31.604 8.419 464 HG2 GLN 58 1HG GLN 58 -5.020 32.525 8.738 465 HG3 GLN 58 2HG GLN 58 -5.243 31.205 7.567 466 HE21 GLN 58 2HE2 GLN 58 -3.485 31.622 6.289 467 HE22 GLN 58 1HE2 GLN 58 -3.304 33.062 5.343 468 H ARG 59 H ARG 59 -5.847 30.319 4.519 469 HA ARG 59 HA ARG 59 -5.768 27.627 5.817 470 HB2 ARG 59 1HB ARG 59 -6.671 27.805 3.550 471 HB3 ARG 59 2HB ARG 59 -5.067 28.346 3.003 472 HG2 ARG 59 1HG ARG 59 -4.102 26.210 3.794 473 HG3 ARG 59 2HG ARG 59 -5.731 25.669 4.270 474 HD2 ARG 59 1HD ARG 59 -4.805 26.313 1.489 475 HD3 ARG 59 2HD ARG 59 -5.034 24.692 2.185 476 HE ARG 59 HE ARG 59 -7.535 25.143 2.046 477 HH11 ARG 59 1HH1 ARG 59 -5.550 27.598 0.563 478 HH12 ARG 59 2HH1 ARG 59 -6.918 28.135 -0.392 479 HH21 ARG 59 1HH2 ARG 59 -9.112 25.753 0.966 480 HH22 ARG 59 2HH2 ARG 59 -8.950 27.084 -0.163 481 H ASP 60 H ASP 60 -4.178 27.775 7.304 482 HA ASP 60 HA ASP 60 -1.479 28.616 6.624 483 HB2 ASP 60 1HB ASP 60 -2.402 28.387 9.039 484 HB3 ASP 60 2HB ASP 60 -2.419 26.656 8.619 485 H LEU 61 H LEU 61 0.051 27.651 5.544 486 HA LEU 61 HA LEU 61 -0.715 25.253 4.066 487 HB2 LEU 61 1HB LEU 61 1.737 26.876 4.235 488 HB3 LEU 61 2HB LEU 61 1.597 25.612 2.991 489 HG LEU 61 HG LEU 61 -0.075 28.143 3.229 490 HD11 LEU 61 1HD1 LEU 61 0.977 28.710 1.024 491 HD12 LEU 61 2HD1 LEU 61 2.207 28.497 2.292 492 HD13 LEU 61 3HD1 LEU 61 1.919 27.203 1.105 493 HD21 LEU 61 3HD2 LEU 61 -1.445 26.289 2.476 494 HD22 LEU 61 1HD2 LEU 61 -1.153 27.415 1.129 495 HD23 LEU 61 2HD2 LEU 61 -0.253 25.882 1.218 496 H ASP 62 H ASP 62 0.543 25.644 7.093 497 HA ASP 62 HA ASP 62 2.339 23.342 7.108 498 HB2 ASP 62 1HB ASP 62 0.934 24.860 9.388 499 HB3 ASP 62 2HB ASP 62 1.961 23.408 9.476 500 H GLY 63 H GLY 63 -1.034 23.726 6.937 501 HA2 GLY 63 1HA GLY 63 -2.146 21.573 6.283 502 HA3 GLY 63 2HA GLY 63 -1.360 20.849 7.705 503 H THR 64 H THR 64 -2.513 24.115 7.929 504 HA THR 64 HA THR 64 -4.945 23.184 9.412 505 HB THR 64 HB THR 64 -3.047 25.395 10.311 506 HG1 THR 64 HG1 THR 64 -2.218 23.265 10.675 507 HG21 THR 64 1HG2 THR 64 -4.462 25.418 12.335 508 HG22 THR 64 2HG2 THR 64 -5.418 25.796 10.881 509 HG23 THR 64 3HG2 THR 64 -5.514 24.178 11.615 510 H CYS 65 H CYS 65 -6.754 24.326 9.200 511 HA CYS 65 HA CYS 65 -6.654 26.929 7.654 512 HB2 CYS 65 1HB CYS 65 -6.964 24.906 6.191 513 HB3 CYS 65 2HB CYS 65 -8.414 24.493 7.140 514 HG CYS 65 HG CYS 65 -7.841 27.234 5.457 515 H SER 66 H SER 66 -7.915 28.423 8.565 516 HA SER 66 HA SER 66 -9.865 27.603 10.727 517 HB2 SER 66 1HB SER 66 -8.139 28.865 11.568 518 HB3 SER 66 2HB SER 66 -8.350 30.108 10.312 519 HG SER 66 HG SER 66 -9.378 30.655 12.284 520 H LEU 67 H LEU 67 -11.965 28.152 10.563 521 HA LEU 67 HA LEU 67 -12.776 29.943 8.294 522 HB2 LEU 67 1HB LEU 67 -13.501 27.809 7.965 523 HB3 LEU 67 2HB LEU 67 -14.242 27.571 9.564 524 HG LEU 67 HG LEU 67 -15.822 29.475 8.977 525 HD11 LEU 67 1HD1 LEU 67 -16.120 29.936 6.529 526 HD12 LEU 67 2HD1 LEU 67 -14.495 30.402 7.081 527 HD13 LEU 67 3HD1 LEU 67 -14.727 28.887 6.177 528 HD21 LEU 67 3HD2 LEU 67 -16.535 27.158 8.967 529 HD22 LEU 67 1HD2 LEU 67 -17.310 28.037 7.627 530 HD23 LEU 67 2HD2 LEU 67 -15.937 26.951 7.303 531 H HIS 68 H HIS 68 -13.524 31.830 8.785 532 HA HIS 68 HA HIS 68 -14.736 32.198 11.505 533 HB2 HIS 68 1HB HIS 68 -12.632 33.438 11.381 534 HB3 HIS 68 2HB HIS 68 -13.113 34.165 9.830 535 HD2 HIS 68 HD2 HIS 68 -14.218 36.721 10.164 536 HE1 HIS 68 HE1 HIS 68 -15.342 36.167 14.224 537 HE2 HIS 68 HE2 HIS 68 -15.214 37.817 12.181 538 H THR 69 H THR 69 -16.807 32.533 11.511 539 HA THR 69 HA THR 69 -18.055 33.923 9.177 540 HB THR 69 HB THR 69 -19.330 32.509 11.564 541 HG1 THR 69 HG1 THR 69 -19.894 30.970 9.909 542 HG21 THR 69 1HG2 THR 69 -21.429 32.768 10.287 543 HG22 THR 69 2HG2 THR 69 -20.716 34.353 10.675 544 HG23 THR 69 3HG2 THR 69 -20.556 33.681 9.035 545 H THR 70 H THR 70 -18.411 35.979 9.207 546 HA THR 70 HA THR 70 -17.719 37.591 11.491 547 HB THR 70 HB THR 70 -19.298 38.310 8.985 548 HG1 THR 70 HG1 THR 70 -17.224 39.158 8.359 549 HG21 THR 70 1HG2 THR 70 -18.691 40.638 9.545 550 HG22 THR 70 2HG2 THR 70 -19.684 39.908 10.830 551 HG23 THR 70 3HG2 THR 70 -17.926 40.076 11.050 552 H ALA 71 H ALA 71 -20.861 36.639 10.115 553 HA ALA 71 HA ALA 71 -22.105 37.280 12.722 554 HB1 ALA 71 3HB ALA 71 -23.042 38.485 10.097 555 HB2 ALA 71 1HB ALA 71 -23.893 38.598 11.654 556 HB3 ALA 71 2HB ALA 71 -22.304 39.368 11.449 557 H SER 72 H SER 72 -22.416 35.091 13.002 558 HA SER 72 HA SER 72 -23.686 33.376 10.978 559 HB2 SER 72 1HB SER 72 -22.103 32.508 12.457 560 HB3 SER 72 2HB SER 72 -23.130 32.924 13.849 561 HG SER 72 HG SER 72 -23.820 31.177 11.722 562 H THR 73 H THR 73 -25.765 33.806 10.431 563 HA THR 73 HA THR 73 -27.714 34.305 12.653 564 HB THR 73 HB THR 73 -29.183 35.310 10.995 565 HG1 THR 73 HG1 THR 73 -27.140 34.567 9.138 566 HG21 THR 73 1HG2 THR 73 -27.830 37.258 10.315 567 HG22 THR 73 2HG2 THR 73 -27.463 36.779 11.990 568 HG23 THR 73 3HG2 THR 73 -26.341 36.355 10.675 569 H LEU 74 H LEU 74 -30.030 33.643 11.790 570 HA LEU 74 HA LEU 74 -30.028 30.781 11.933 571 HB2 LEU 74 1HB LEU 74 -32.016 32.797 11.138 572 HB3 LEU 74 2HB LEU 74 -32.538 31.108 11.337 573 HG LEU 74 HG LEU 74 -31.399 32.912 13.508 574 HD11 LEU 74 1HD1 LEU 74 -33.699 32.737 14.496 575 HD12 LEU 74 2HD1 LEU 74 -33.745 33.475 12.877 576 HD13 LEU 74 3HD1 LEU 74 -34.211 31.771 13.094 577 HD21 LEU 74 3HD2 LEU 74 -30.726 30.605 13.826 578 HD22 LEU 74 1HD2 LEU 74 -31.938 31.057 15.048 579 HD23 LEU 74 2HD2 LEU 74 -32.411 30.059 13.652 580 H ASP 75 H ASP 75 -29.988 32.991 9.235 581 HA ASP 75 HA ASP 75 -30.588 30.917 7.254 582 HB2 ASP 75 1HB ASP 75 -29.411 33.741 6.939 583 HB3 ASP 75 2HB ASP 75 -29.720 32.495 5.704 584 H ASP 76 H ASP 76 -27.837 31.845 9.077 585 HA ASP 76 HA ASP 76 -25.983 30.512 7.165 586 HB2 ASP 76 1HB ASP 76 -25.356 31.917 9.832 587 HB3 ASP 76 2HB ASP 76 -24.297 31.134 8.630 588 H ASP 77 H ASP 77 -27.865 29.814 9.936 589 HA ASP 77 HA ASP 77 -26.378 27.720 11.134 590 HB2 ASP 77 1HB ASP 77 -28.659 28.652 11.953 591 HB3 ASP 77 2HB ASP 77 -29.266 27.769 10.531 592 H GLY 78 H GLY 78 -25.709 25.814 10.558 593 HA2 GLY 78 1HA GLY 78 -26.973 23.851 9.111 594 HA3 GLY 78 2HA GLY 78 -26.241 24.866 7.847 595 H ASN 79 H ASN 79 -25.019 22.900 7.339 596 HA ASN 79 HA ASN 79 -22.899 22.232 9.351 597 HB2 ASN 79 1HB ASN 79 -23.712 20.391 6.987 598 HB3 ASN 79 2HB ASN 79 -22.555 20.395 8.340 599 HD21 ASN 79 2HD2 ASN 79 -25.662 19.591 7.301 600 HD22 ASN 79 1HD2 ASN 79 -26.336 19.141 8.833 601 H TYR 80 H TYR 80 -21.169 23.414 9.072 602 HA TYR 80 HA TYR 80 -20.266 24.161 6.361 603 HB2 TYR 80 1HB TYR 80 -19.134 24.636 9.123 604 HB3 TYR 80 2HB TYR 80 -18.392 25.217 7.610 605 HD1 TYR 80 HD1 TYR 80 -21.534 25.428 9.632 606 HD2 TYR 80 HD2 TYR 80 -19.057 27.274 6.691 607 HE1 TYR 80 HE1 TYR 80 -22.955 27.454 9.716 608 HE2 TYR 80 HE2 TYR 80 -20.467 29.306 6.765 609 HH TYR 80 HH TYR 80 -23.516 29.425 8.390 610 H THR 81 H THR 81 -20.096 21.880 5.695 611 HA THR 81 HA THR 81 -18.284 20.093 7.042 612 HB THR 81 HB THR 81 -19.255 20.026 4.155 613 HG1 THR 81 HG1 THR 81 -20.827 18.571 5.065 614 HG21 THR 81 1HG2 THR 81 -18.762 17.610 4.315 615 HG22 THR 81 2HG2 THR 81 -17.294 18.582 4.578 616 HG23 THR 81 3HG2 THR 81 -18.135 17.847 5.963 617 H ILE 82 H ILE 82 -16.201 19.730 6.922 618 HA ILE 82 HA ILE 82 -14.620 21.369 4.963 619 HB ILE 82 HB ILE 82 -13.882 21.877 7.191 620 HG12 ILE 82 1HG1 ILE 82 -12.077 19.730 6.107 621 HG13 ILE 82 2HG1 ILE 82 -12.144 21.417 5.546 622 HG21 ILE 82 1HG2 ILE 82 -13.309 20.124 8.836 623 HG22 ILE 82 2HG2 ILE 82 -15.015 20.010 8.347 624 HG23 ILE 82 3HG2 ILE 82 -13.822 18.872 7.681 625 HD11 ILE 82 3HD1 ILE 82 -11.377 20.503 8.341 626 HD12 ILE 82 1HD1 ILE 82 -10.252 21.068 7.084 627 HD13 ILE 82 2HD1 ILE 82 -11.446 22.190 7.779 628 H MET 83 H MET 83 -13.163 20.553 3.632 629 HA MET 83 HA MET 83 -12.853 17.577 3.608 630 HB2 MET 83 1HB MET 83 -14.559 18.181 1.983 631 HB3 MET 83 2HB MET 83 -13.450 19.365 1.249 632 HG2 MET 83 1HG MET 83 -11.935 17.554 0.596 633 HG3 MET 83 2HG MET 83 -13.022 16.363 1.350 634 HE1 MET 83 3HE MET 83 -12.211 18.528 -1.736 635 HE2 MET 83 1HE MET 83 -13.771 18.674 -2.581 636 HE3 MET 83 2HE MET 83 -13.514 19.519 -1.035 637 H ALA 84 H ALA 84 -10.837 17.086 3.857 638 HA ALA 84 HA ALA 84 -8.757 19.005 2.973 639 HB1 ALA 84 3HB ALA 84 -8.548 16.437 4.584 640 HB2 ALA 84 1HB ALA 84 -7.210 17.557 4.232 641 HB3 ALA 84 2HB ALA 84 -8.575 18.089 5.243 642 H ALA 85 H ALA 85 -8.715 18.833 0.776 643 HA ALA 85 HA ALA 85 -8.409 16.108 -0.374 644 HB1 ALA 85 3HB ALA 85 -8.991 18.775 -1.710 645 HB2 ALA 85 1HB ALA 85 -8.910 17.197 -2.527 646 HB3 ALA 85 2HB ALA 85 -10.183 17.511 -1.326 647 H ASN 86 H ASN 86 -6.529 15.349 -0.972 648 HA ASN 86 HA ASN 86 -4.572 17.228 -2.198 649 HB2 ASN 86 1HB ASN 86 -2.729 16.665 -0.675 650 HB3 ASN 86 2HB ASN 86 -4.312 16.731 0.138 651 HD21 ASN 86 2HD2 ASN 86 -2.141 15.455 1.247 652 HD22 ASN 86 1HD2 ASN 86 -2.440 13.749 1.290 653 HA PRO 87 HA PRO 87 -3.658 14.318 -5.215 654 HB2 PRO 87 1HB PRO 87 -0.867 13.797 -4.109 655 HB3 PRO 87 2HB PRO 87 -1.330 14.317 -5.734 656 HG2 PRO 87 1HG PRO 87 -0.272 16.092 -4.053 657 HG3 PRO 87 2HG PRO 87 -1.632 16.576 -5.075 658 HD2 PRO 87 1HD PRO 87 -1.637 15.860 -2.115 659 HD3 PRO 87 2HD PRO 87 -2.548 17.125 -2.954 660 H GLN 88 H GLN 88 -3.053 13.300 -1.951 661 HA GLN 88 HA GLN 88 -2.761 10.469 -2.813 662 HB2 GLN 88 1HB GLN 88 -2.626 11.734 -0.068 663 HB3 GLN 88 2HB GLN 88 -2.241 10.045 -0.472 664 HG2 GLN 88 1HG GLN 88 -0.451 12.498 -1.269 665 HG3 GLN 88 2HG GLN 88 -0.394 11.135 -0.126 666 HE21 GLN 88 2HE2 GLN 88 0.618 12.245 -3.101 667 HE22 GLN 88 1HE2 GLN 88 0.998 10.732 -3.853 668 H GLY 89 H GLY 89 -5.246 12.541 -2.117 669 HA2 GLY 89 1HA GLY 89 -7.414 11.068 -2.362 670 HA3 GLY 89 2HA GLY 89 -6.891 10.455 -0.776 671 H ARG 90 H ARG 90 -9.050 11.300 -0.149 672 HA ARG 90 HA ARG 90 -8.756 14.031 0.942 673 HB2 ARG 90 1HB ARG 90 -10.797 14.871 0.150 674 HB3 ARG 90 2HB ARG 90 -9.699 14.485 -1.197 675 HG2 ARG 90 1HG ARG 90 -10.972 12.401 -1.605 676 HG3 ARG 90 2HG ARG 90 -12.096 12.855 -0.300 677 HD2 ARG 90 1HD ARG 90 -12.707 14.849 -1.560 678 HD3 ARG 90 2HD ARG 90 -11.632 14.323 -2.876 679 HE ARG 90 HE ARG 90 -13.642 12.263 -2.453 680 HH11 ARG 90 1HH1 ARG 90 -13.412 15.533 -3.643 681 HH12 ARG 90 2HH1 ARG 90 -14.770 15.244 -4.714 682 HH21 ARG 90 1HH2 ARG 90 -15.203 11.921 -3.667 683 HH22 ARG 90 2HH2 ARG 90 -15.793 13.185 -4.727 684 H VAL 91 H VAL 91 -10.342 14.573 2.530 685 HA VAL 91 HA VAL 91 -12.108 12.414 3.529 686 HB VAL 91 HB VAL 91 -9.880 11.886 4.574 687 HG11 VAL 91 1HG1 VAL 91 -8.991 13.460 6.262 688 HG12 VAL 91 2HG1 VAL 91 -8.984 14.190 4.639 689 HG13 VAL 91 3HG1 VAL 91 -10.240 14.645 5.815 690 HG21 VAL 91 3HG2 VAL 91 -11.947 11.306 5.697 691 HG22 VAL 91 1HG2 VAL 91 -10.704 11.793 6.872 692 HG23 VAL 91 2HG2 VAL 91 -12.015 12.919 6.447 693 H SER 92 H SER 92 -13.755 13.064 4.739 694 HA SER 92 HA SER 92 -14.135 16.074 4.807 695 HB2 SER 92 1HB SER 92 -16.102 13.962 4.167 696 HB3 SER 92 2HB SER 92 -16.411 15.702 4.370 697 HG SER 92 HG SER 92 -16.093 15.106 2.182 698 H CYS 93 H CYS 93 -15.293 16.932 6.523 699 HA CYS 93 HA CYS 93 -16.336 15.112 8.679 700 HB2 CYS 93 1HB CYS 93 -13.942 15.553 9.121 701 HB3 CYS 93 2HB CYS 93 -14.235 17.303 8.978 702 HG CYS 93 HG CYS 93 -15.497 15.198 11.134 703 H THR 94 H THR 94 -18.132 15.926 9.603 704 HA THR 94 HA THR 94 -19.398 18.210 8.337 705 HB THR 94 HB THR 94 -20.236 16.669 10.830 706 HG1 THR 94 HG1 THR 94 -21.579 15.554 9.292 707 HG21 THR 94 1HG2 THR 94 -22.485 17.536 10.291 708 HG22 THR 94 2HG2 THR 94 -21.341 18.866 10.590 709 HG23 THR 94 3HG2 THR 94 -21.805 18.451 8.924 710 H GLY 95 H GLY 95 -19.390 20.256 8.811 711 HA2 GLY 95 1HA GLY 95 -18.183 21.090 11.405 712 HA3 GLY 95 2HA GLY 95 -18.352 22.108 9.952 713 H ARG 96 H ARG 96 -20.540 20.125 12.004 714 HA ARG 96 HA ARG 96 -22.882 21.622 11.496 715 HB2 ARG 96 1HB ARG 96 -22.865 19.434 12.500 716 HB3 ARG 96 2HB ARG 96 -22.200 20.133 13.995 717 HG2 ARG 96 1HG ARG 96 -24.210 21.444 14.331 718 HG3 ARG 96 2HG ARG 96 -24.867 20.898 12.770 719 HD2 ARG 96 1HD ARG 96 -24.917 18.612 13.637 720 HD3 ARG 96 2HD ARG 96 -24.366 19.229 15.213 721 HE ARG 96 HE ARG 96 -26.893 20.513 14.486 722 HH11 ARG 96 1HH1 ARG 96 -25.634 17.453 15.585 723 HH12 ARG 96 2HH1 ARG 96 -27.156 17.106 16.381 724 HH21 ARG 96 1HH2 ARG 96 -28.646 20.126 15.384 725 HH22 ARG 96 2HH2 ARG 96 -28.875 18.629 16.266 726 H LEU 97 H LEU 97 -23.200 23.692 11.709 727 HA LEU 97 HA LEU 97 -22.549 24.878 14.385 728 HB2 LEU 97 1HB LEU 97 -21.148 25.788 12.859 729 HB3 LEU 97 2HB LEU 97 -22.365 26.173 11.619 730 HG LEU 97 HG LEU 97 -23.413 27.769 13.262 731 HD11 LEU 97 1HD1 LEU 97 -21.984 28.523 15.180 732 HD12 LEU 97 2HD1 LEU 97 -22.412 26.803 15.331 733 HD13 LEU 97 3HD1 LEU 97 -20.790 27.271 14.764 734 HD21 LEU 97 3HD2 LEU 97 -21.998 28.565 11.462 735 HD22 LEU 97 1HD2 LEU 97 -21.737 29.551 12.921 736 HD23 LEU 97 2HD2 LEU 97 -20.543 28.315 12.456 737 H MET 98 H MET 98 -24.324 24.977 15.508 738 HA MET 98 HA MET 98 -26.894 25.580 14.107 739 HB2 MET 98 1HB MET 98 -26.304 24.645 16.917 740 HB3 MET 98 2HB MET 98 -27.922 24.922 16.227 741 HG2 MET 98 1HG MET 98 -25.911 22.872 15.247 742 HG3 MET 98 2HG MET 98 -27.308 22.523 16.293 743 HE1 MET 98 3HE MET 98 -29.636 24.248 15.174 744 HE2 MET 98 1HE MET 98 -30.353 23.161 13.960 745 HE3 MET 98 2HE MET 98 -29.789 22.508 15.518 746 H VAL 99 H VAL 99 -28.184 27.261 14.567 747 HA VAL 99 HA VAL 99 -26.933 29.441 16.238 748 HB VAL 99 HB VAL 99 -28.621 29.708 13.718 749 HG11 VAL 99 1HG1 VAL 99 -28.095 32.114 13.936 750 HG12 VAL 99 2HG1 VAL 99 -28.983 31.521 15.359 751 HG13 VAL 99 3HG1 VAL 99 -27.225 31.786 15.453 752 HG21 VAL 99 3HG2 VAL 99 -26.395 28.912 13.188 753 HG22 VAL 99 1HG2 VAL 99 -26.600 30.606 12.680 754 HG23 VAL 99 2HG2 VAL 99 -25.676 30.224 14.153 755 H GLN 100 H GLN 100 -27.954 30.072 17.912 756 HA GLN 100 HA GLN 100 -30.863 29.426 18.127 757 HB2 GLN 100 1HB GLN 100 -29.342 28.648 19.908 758 HB3 GLN 100 2HB GLN 100 -28.872 30.337 20.211 759 HG2 GLN 100 1HG GLN 100 -31.439 30.750 20.948 760 HG3 GLN 100 2HG GLN 100 -31.455 29.056 20.404 761 HE21 GLN 100 2HE2 GLN 100 -32.302 30.006 22.965 762 HE22 GLN 100 1HE2 GLN 100 -31.254 29.308 24.156 763 H ALA 101 H ALA 101 -32.384 30.874 18.041 764 HA ALA 101 HA ALA 101 -31.797 33.597 17.351 765 HB1 ALA 101 3HB ALA 101 -34.380 32.352 18.354 766 HB2 ALA 101 1HB ALA 101 -34.224 33.950 17.590 767 HB3 ALA 101 2HB ALA 101 -33.867 32.478 16.655 768 H VAL 102 H VAL 102 -31.944 35.496 18.459 769 HA VAL 102 HA VAL 102 -31.406 35.238 21.382 770 HB VAL 102 HB VAL 102 -31.256 37.648 19.525 771 HG11 VAL 102 1HG1 VAL 102 -29.995 38.676 21.388 772 HG12 VAL 102 2HG1 VAL 102 -31.644 38.238 21.895 773 HG13 VAL 102 3HG1 VAL 102 -30.265 37.220 22.374 774 HG21 VAL 102 3HG2 VAL 102 -29.631 35.965 18.896 775 HG22 VAL 102 1HG2 VAL 102 -28.832 37.362 19.655 776 HG23 VAL 102 2HG2 VAL 102 -29.060 35.858 20.579 777 H ASN 103 H ASN 103 -32.963 35.218 22.740 778 HA ASN 103 HA ASN 103 -35.615 36.191 22.007 779 HB2 ASN 103 1HB ASN 103 -34.706 35.085 24.766 780 HB3 ASN 103 2HB ASN 103 -36.203 35.781 24.099 781 HD21 ASN 103 2HD2 ASN 103 -35.510 33.084 25.147 782 HD22 ASN 103 1HD2 ASN 103 -35.980 31.982 23.896 783 H GLN 104 H GLN 104 -32.839 37.640 23.359 784 HA GLN 104 HA GLN 104 -34.385 39.761 24.729 785 HB2 GLN 104 1HB GLN 104 -31.416 39.438 24.228 786 HB3 GLN 104 2HB GLN 104 -32.178 40.687 25.241 787 HG2 GLN 104 1HG GLN 104 -32.036 37.645 26.014 788 HG3 GLN 104 2HG GLN 104 -31.258 39.168 26.509 789 HE21 GLN 104 2HE2 GLN 104 -33.660 36.981 27.231 790 HE22 GLN 104 1HE2 GLN 104 -34.682 37.990 28.199 791 H ARG 105 H ARG 105 -33.564 39.076 21.595 792 HA ARG 105 HA ARG 105 -33.045 41.885 20.808 793 HB2 ARG 105 1HB ARG 105 -31.901 39.875 19.816 794 HB3 ARG 105 2HB ARG 105 -33.429 39.604 18.947 795 HG2 ARG 105 1HG ARG 105 -33.251 41.861 17.960 796 HG3 ARG 105 2HG ARG 105 -31.698 42.091 18.800 797 HD2 ARG 105 1HD ARG 105 -31.198 41.556 16.591 798 HD3 ARG 105 2HD ARG 105 -30.867 40.096 17.553 799 HE ARG 105 HE ARG 105 -33.500 39.889 16.274 800 HH11 ARG 105 1HH1 ARG 105 -30.093 39.668 15.565 801 HH12 ARG 105 2HH1 ARG 105 -30.432 38.555 14.254 802 HH21 ARG 105 1HH2 ARG 105 -33.905 38.622 14.772 803 HH22 ARG 105 2HH2 ARG 105 -32.606 37.958 13.800 804 H GLY 106 H GLY 106 -34.489 43.292 20.226 805 HA2 GLY 106 1HA GLY 106 -37.302 42.638 20.327 806 HA3 GLY 106 2HA GLY 106 -36.588 44.201 19.856 807 H ARG 107 H ARG 107 -34.916 42.492 17.862 808 HA ARG 107 HA ARG 107 -36.898 42.726 15.663 809 HB2 ARG 107 1HB ARG 107 -33.943 42.302 15.607 810 HB3 ARG 107 2HB ARG 107 -35.013 42.386 14.188 811 HG2 ARG 107 1HG ARG 107 -35.625 44.687 14.775 812 HG3 ARG 107 2HG ARG 107 -34.578 44.604 16.212 813 HD2 ARG 107 1HD ARG 107 -32.647 44.316 14.764 814 HD3 ARG 107 2HD ARG 107 -33.709 44.456 13.343 815 HE ARG 107 HE ARG 107 -33.995 46.912 14.804 816 HH11 ARG 107 1HH1 ARG 107 -31.403 45.197 13.223 817 HH12 ARG 107 2HH1 ARG 107 -30.617 46.718 12.848 818 HH21 ARG 107 1HH2 ARG 107 -33.103 48.662 14.391 819 HH22 ARG 107 2HH2 ARG 107 -31.585 48.694 13.514 820 H SER 108 H SER 108 -35.937 40.376 17.792 821 HA SER 108 HA SER 108 -35.688 38.028 16.080 822 HB2 SER 108 1HB SER 108 -34.795 38.042 18.222 823 HB3 SER 108 2HB SER 108 -36.403 38.291 18.939 824 HG SER 108 HG SER 108 -35.768 36.090 18.923 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 11.000 11.270 -8.231 2 H2 GLY 1 2H GLY 1 11.730 12.112 -7.226 3 H3 GLY 1 3H GLY 1 11.680 10.621 -7.062 4 HA2 GLY 1 1HA GLY 1 9.835 12.464 -5.935 5 HA3 GLY 1 2HA GLY 1 8.969 11.468 -7.127 6 H GLY 2 H GLY 2 9.509 9.029 -6.922 7 HA2 GLY 2 1HA GLY 2 9.567 7.092 -5.636 8 HA3 GLY 2 2HA GLY 2 10.178 8.054 -4.269 9 H SER 3 H SER 3 8.883 8.216 -2.572 10 HA SER 3 HA SER 3 5.876 8.104 -2.964 11 HB2 SER 3 1HB SER 3 6.552 5.941 -2.425 12 HB3 SER 3 2HB SER 3 7.435 6.535 -0.999 13 HG SER 3 HG SER 3 5.296 5.765 -0.551 14 H ASN 4 H ASN 4 7.066 7.854 0.185 15 HA ASN 4 HA ASN 4 6.918 9.279 2.015 16 HB2 ASN 4 1HB ASN 4 8.947 10.486 0.525 17 HB3 ASN 4 2HB ASN 4 7.465 11.443 0.291 18 HD21 ASN 4 2HD2 ASN 4 8.870 13.115 1.217 19 HD22 ASN 4 1HD2 ASN 4 8.918 13.280 2.941 20 H ALA 5 H ALA 5 4.519 8.800 0.810 21 HA ALA 5 HA ALA 5 3.037 11.166 1.655 22 HB1 ALA 5 3HB ALA 5 2.892 10.278 -1.247 23 HB2 ALA 5 1HB ALA 5 1.828 11.474 -0.471 24 HB3 ALA 5 2HB ALA 5 3.565 11.815 -0.652 25 H THR 6 H THR 6 0.767 10.827 1.811 26 HA THR 6 HA THR 6 -0.326 8.151 1.378 27 HB THR 6 HB THR 6 1.086 7.849 3.465 28 HG1 THR 6 HG1 THR 6 -0.872 7.036 4.668 29 HG21 THR 6 1HG2 THR 6 0.217 8.845 5.552 30 HG22 THR 6 2HG2 THR 6 0.749 10.106 4.414 31 HG23 THR 6 3HG2 THR 6 -0.985 9.762 4.614 32 H ALA 7 H ALA 7 -2.471 7.967 2.693 33 HA ALA 7 HA ALA 7 -4.132 10.090 1.714 34 HB1 ALA 7 3HB ALA 7 -4.752 7.889 3.711 35 HB2 ALA 7 1HB ALA 7 -5.950 8.915 2.888 36 HB3 ALA 7 2HB ALA 7 -4.946 7.788 1.945 37 HA PRO 8 HA PRO 8 -3.842 12.940 5.023 38 HB2 PRO 8 1HB PRO 8 -6.053 14.488 4.442 39 HB3 PRO 8 2HB PRO 8 -4.623 14.530 3.401 40 HG2 PRO 8 1HG PRO 8 -7.206 12.978 3.030 41 HG3 PRO 8 2HG PRO 8 -6.302 13.928 1.844 42 HD2 PRO 8 1HD PRO 8 -6.068 11.201 1.954 43 HD3 PRO 8 2HD PRO 8 -4.693 12.216 1.500 44 H PHE 9 H PHE 9 -4.680 13.497 6.973 45 HA PHE 9 HA PHE 9 -7.329 12.498 7.773 46 HB2 PHE 9 1HB PHE 9 -6.496 11.114 9.622 47 HB3 PHE 9 2HB PHE 9 -5.883 10.482 8.078 48 HD1 PHE 9 HD2 PHE 9 -3.546 10.708 7.481 49 HD2 PHE 9 HD1 PHE 9 -5.039 12.046 11.255 50 HE1 PHE 9 HE2 PHE 9 -1.238 10.791 8.363 51 HE2 PHE 9 HE1 PHE 9 -2.732 12.133 12.139 52 HZ PHE 9 HZ PHE 9 -0.831 11.505 10.692 53 H PHE 10 H PHE 10 -8.020 13.234 9.820 54 HA PHE 10 HA PHE 10 -7.019 15.968 10.254 55 HB2 PHE 10 1HB PHE 10 -9.364 14.372 11.349 56 HB3 PHE 10 2HB PHE 10 -8.954 16.000 11.936 57 HD1 PHE 10 HD1 PHE 10 -10.213 14.030 9.116 58 HD2 PHE 10 HD2 PHE 10 -9.326 17.938 10.596 59 HE1 PHE 10 HE1 PHE 10 -11.534 15.024 7.278 60 HE2 PHE 10 HE2 PHE 10 -10.647 18.936 8.759 61 HZ PHE 10 HZ PHE 10 -11.750 17.478 7.099 62 H GLU 11 H GLU 11 -5.410 16.438 11.529 63 HA GLU 11 HA GLU 11 -4.773 14.856 13.910 64 HB2 GLU 11 1HB GLU 11 -3.093 16.144 12.638 65 HB3 GLU 11 2HB GLU 11 -3.928 17.645 13.110 66 HG2 GLU 11 1HG GLU 11 -3.349 17.221 15.511 67 HG3 GLU 11 2HG GLU 11 -2.739 15.638 14.977 68 H MET 12 H MET 12 -6.750 17.648 13.159 69 HA MET 12 HA MET 12 -7.934 17.419 15.872 70 HB2 MET 12 1HB MET 12 -6.206 19.127 16.076 71 HB3 MET 12 2HB MET 12 -6.900 19.998 14.687 72 HG2 MET 12 1HG MET 12 -8.972 20.367 15.956 73 HG3 MET 12 2HG MET 12 -8.276 19.499 17.345 74 HE1 MET 12 3HE MET 12 -8.367 22.776 15.244 75 HE2 MET 12 1HE MET 12 -6.918 23.647 15.797 76 HE3 MET 12 2HE MET 12 -6.747 22.167 14.822 77 H LYS 13 H LYS 13 -9.987 17.087 15.597 78 HA LYS 13 HA LYS 13 -11.200 17.891 13.004 79 HB2 LYS 13 1HB LYS 13 -12.117 16.054 15.221 80 HB3 LYS 13 2HB LYS 13 -13.049 16.414 13.749 81 HG2 LYS 13 1HG LYS 13 -11.222 15.452 12.381 82 HG3 LYS 13 2HG LYS 13 -10.339 15.049 13.872 83 HD2 LYS 13 1HD LYS 13 -12.193 13.599 14.586 84 HD3 LYS 13 2HD LYS 13 -13.089 14.011 13.104 85 HE2 LYS 13 1HE LYS 13 -11.296 13.030 11.742 86 HE3 LYS 13 2HE LYS 13 -10.392 12.625 13.219 87 HZ1 LYS 13 3HZ LYS 13 -13.046 11.564 12.488 88 HZ2 LYS 13 1HZ LYS 13 -11.620 10.739 12.383 89 HZ3 LYS 13 2HZ LYS 13 -12.208 11.187 13.858 90 H LEU 14 H LEU 14 -13.507 18.537 13.024 91 HA LEU 14 HA LEU 14 -13.858 20.804 14.862 92 HB2 LEU 14 1HB LEU 14 -15.494 19.586 12.737 93 HB3 LEU 14 2HB LEU 14 -16.014 21.109 13.497 94 HG LEU 14 HG LEU 14 -13.513 20.667 11.821 95 HD11 LEU 14 1HD1 LEU 14 -14.618 22.277 10.245 96 HD12 LEU 14 2HD1 LEU 14 -15.618 20.826 10.494 97 HD13 LEU 14 3HD1 LEU 14 -16.028 22.343 11.329 98 HD21 LEU 14 3HD2 LEU 14 -13.073 22.221 13.628 99 HD22 LEU 14 1HD2 LEU 14 -13.136 23.095 12.079 100 HD23 LEU 14 2HD2 LEU 14 -14.515 23.172 13.201 101 H LYS 15 H LYS 15 -16.068 21.171 15.810 102 HA LYS 15 HA LYS 15 -17.292 18.626 16.791 103 HB2 LYS 15 1HB LYS 15 -17.450 19.499 19.021 104 HB3 LYS 15 2HB LYS 15 -15.748 19.417 18.508 105 HG2 LYS 15 1HG LYS 15 -15.789 21.850 18.049 106 HG3 LYS 15 2HG LYS 15 -17.471 21.916 18.628 107 HD2 LYS 15 1HD LYS 15 -16.717 21.075 20.836 108 HD3 LYS 15 2HD LYS 15 -15.037 21.090 20.249 109 HE2 LYS 15 1HE LYS 15 -15.183 23.509 19.869 110 HE3 LYS 15 2HE LYS 15 -16.869 23.502 20.439 111 HZ1 LYS 15 3HZ LYS 15 -14.509 22.776 22.054 112 HZ2 LYS 15 1HZ LYS 15 -15.349 24.191 22.166 113 HZ3 LYS 15 2HZ LYS 15 -16.071 22.768 22.583 114 H HIS 16 H HIS 16 -19.326 19.255 18.152 115 HA HIS 16 HA HIS 16 -21.107 20.707 16.371 116 HB2 HIS 16 1HB HIS 16 -21.849 18.767 17.787 117 HB3 HIS 16 2HB HIS 16 -21.609 19.779 19.230 118 HD1 HIS 16 HD1 HIS 16 -24.270 18.976 19.329 119 HD2 HIS 16 HD2 HIS 16 -23.273 22.100 16.683 120 HE1 HIS 16 HE1 HIS 16 -26.373 20.093 18.782 121 H TYR 17 H TYR 17 -20.968 22.794 16.102 122 HA TYR 17 HA TYR 17 -20.238 24.505 18.435 123 HB2 TYR 17 1HB TYR 17 -20.481 25.133 15.486 124 HB3 TYR 17 2HB TYR 17 -19.953 26.262 16.758 125 HD1 TYR 17 HD2 TYR 17 -17.869 25.523 18.144 126 HD2 TYR 17 HD1 TYR 17 -18.873 23.877 14.340 127 HE1 TYR 17 HE2 TYR 17 -15.535 24.757 17.871 128 HE2 TYR 17 HE1 TYR 17 -16.537 23.103 14.050 129 HH TYR 17 HH TYR 17 -14.031 23.717 16.512 130 H LYS 18 H LYS 18 -21.446 26.142 19.208 131 HA LYS 18 HA LYS 18 -24.146 26.548 17.989 132 HB2 LYS 18 1HB LYS 18 -23.504 26.117 20.908 133 HB3 LYS 18 2HB LYS 18 -25.051 26.748 20.294 134 HG2 LYS 18 1HG LYS 18 -25.361 24.631 19.019 135 HG3 LYS 18 2HG LYS 18 -23.868 24.003 19.756 136 HD2 LYS 18 1HD LYS 18 -24.873 24.275 21.998 137 HD3 LYS 18 2HD LYS 18 -26.372 24.865 21.243 138 HE2 LYS 18 1HE LYS 18 -26.620 22.719 20.064 139 HE3 LYS 18 2HE LYS 18 -25.129 22.128 20.831 140 HZ1 LYS 18 3HZ LYS 18 -27.593 22.909 22.251 141 HZ2 LYS 18 1HZ LYS 18 -27.088 21.361 21.988 142 HZ3 LYS 18 2HZ LYS 18 -26.210 22.361 22.964 143 H ILE 19 H ILE 19 -24.905 28.559 17.944 144 HA ILE 19 HA ILE 19 -23.575 30.699 19.502 145 HB ILE 19 HB ILE 19 -22.230 30.412 17.331 146 HG12 ILE 19 1HG1 ILE 19 -22.312 32.835 16.789 147 HG13 ILE 19 2HG1 ILE 19 -23.684 32.976 17.913 148 HG21 ILE 19 1HG2 ILE 19 -23.291 31.293 15.279 149 HG22 ILE 19 2HG2 ILE 19 -24.138 29.842 15.866 150 HG23 ILE 19 3HG2 ILE 19 -24.836 31.455 16.148 151 HD11 ILE 19 3HD1 ILE 19 -20.885 32.038 18.634 152 HD12 ILE 19 1HD1 ILE 19 -21.574 33.636 18.999 153 HD13 ILE 19 2HD1 ILE 19 -22.257 32.178 19.757 154 H PHE 20 H PHE 20 -24.705 32.538 19.755 155 HA PHE 20 HA PHE 20 -27.568 32.419 19.164 156 HB2 PHE 20 1HB PHE 20 -25.758 34.549 20.369 157 HB3 PHE 20 2HB PHE 20 -27.501 34.783 20.108 158 HD1 PHE 20 HD1 PHE 20 -27.510 31.501 20.765 159 HD2 PHE 20 HD2 PHE 20 -26.559 35.175 22.729 160 HE1 PHE 20 HE1 PHE 20 -27.981 30.452 22.953 161 HE2 PHE 20 HE2 PHE 20 -27.026 34.128 24.918 162 HZ PHE 20 HZ PHE 20 -27.739 31.766 25.030 163 H GLU 21 H GLU 21 -28.774 33.641 17.797 164 HA GLU 21 HA GLU 21 -27.703 34.013 15.196 165 HB2 GLU 21 1HB GLU 21 -30.089 33.716 15.735 166 HB3 GLU 21 2HB GLU 21 -30.110 35.346 16.450 167 HG2 GLU 21 1HG GLU 21 -29.485 36.264 14.120 168 HG3 GLU 21 2HG GLU 21 -29.618 34.565 13.609 169 H GLY 22 H GLY 22 -26.411 35.430 14.346 170 HA2 GLY 22 1HA GLY 22 -26.121 37.695 13.599 171 HA3 GLY 22 2HA GLY 22 -26.754 38.274 15.156 172 H MET 23 H MET 23 -24.944 35.940 16.269 173 HA MET 23 HA MET 23 -22.693 37.773 16.842 174 HB2 MET 23 1HB MET 23 -23.529 35.077 17.898 175 HB3 MET 23 2HB MET 23 -22.027 35.902 18.379 176 HG2 MET 23 1HG MET 23 -23.413 37.823 19.173 177 HG3 MET 23 2HG MET 23 -24.869 36.861 18.826 178 HE1 MET 23 3HE MET 23 -21.812 37.445 21.164 179 HE2 MET 23 1HE MET 23 -21.757 35.954 22.134 180 HE3 MET 23 2HE MET 23 -21.344 35.905 20.403 181 HA PRO 24 HA PRO 24 -19.824 35.823 14.171 182 HB2 PRO 24 1HB PRO 24 -17.463 36.428 15.439 183 HB3 PRO 24 2HB PRO 24 -18.428 37.713 14.699 184 HG2 PRO 24 1HG PRO 24 -18.289 36.865 17.614 185 HG3 PRO 24 2HG PRO 24 -18.254 38.495 16.928 186 HD2 PRO 24 1HD PRO 24 -20.562 37.407 17.957 187 HD3 PRO 24 2HD PRO 24 -20.598 38.558 16.616 188 H VAL 25 H VAL 25 -18.484 34.090 13.890 189 HA VAL 25 HA VAL 25 -18.169 32.250 16.243 190 HB VAL 25 HB VAL 25 -19.169 31.440 13.481 191 HG11 VAL 25 1HG1 VAL 25 -19.375 29.199 14.502 192 HG12 VAL 25 2HG1 VAL 25 -17.691 29.769 14.545 193 HG13 VAL 25 3HG1 VAL 25 -18.688 29.826 16.019 194 HG21 VAL 25 3HG2 VAL 25 -20.921 32.553 14.732 195 HG22 VAL 25 1HG2 VAL 25 -21.241 30.808 14.611 196 HG23 VAL 25 2HG2 VAL 25 -20.621 31.493 16.131 197 H THR 26 H THR 26 -16.248 31.566 16.542 198 HA THR 26 HA THR 26 -14.393 31.499 14.185 199 HB THR 26 HB THR 26 -13.697 32.318 17.037 200 HG1 THR 26 HG1 THR 26 -14.045 33.796 14.624 201 HG21 THR 26 1HG2 THR 26 -11.483 32.840 16.073 202 HG22 THR 26 2HG2 THR 26 -11.879 31.116 15.871 203 HG23 THR 26 3HG2 THR 26 -12.028 32.231 14.492 204 H PHE 27 H PHE 27 -13.710 29.578 13.722 205 HA PHE 27 HA PHE 27 -12.549 27.940 15.874 206 HB2 PHE 27 1HB PHE 27 -13.798 25.888 15.219 207 HB3 PHE 27 2HB PHE 27 -14.881 27.124 15.897 208 HD1 PHE 27 HD1 PHE 27 -13.813 25.401 12.829 209 HD2 PHE 27 HD2 PHE 27 -16.580 28.133 14.599 210 HE1 PHE 27 HE1 PHE 27 -15.251 25.238 10.827 211 HE2 PHE 27 HE2 PHE 27 -18.023 27.970 12.598 212 HZ PHE 27 HZ PHE 27 -17.357 26.522 10.711 213 H THR 28 H THR 28 -11.560 25.907 14.938 214 HA THR 28 HA THR 28 -10.559 26.301 12.179 215 HB THR 28 HB THR 28 -9.115 27.789 13.608 216 HG1 THR 28 HG1 THR 28 -7.383 27.139 12.491 217 HG21 THR 28 1HG2 THR 28 -7.549 26.715 15.187 218 HG22 THR 28 2HG2 THR 28 -9.237 26.475 15.698 219 HG23 THR 28 3HG2 THR 28 -8.348 25.149 14.915 220 H CYS 29 H CYS 29 -9.221 24.598 11.417 221 HA CYS 29 HA CYS 29 -9.439 22.016 12.987 222 HB2 CYS 29 1HB CYS 29 -11.374 22.574 11.382 223 HB3 CYS 29 2HB CYS 29 -10.182 22.419 10.068 224 HG CYS 29 HG CYS 29 -11.206 20.240 12.267 225 H ARG 30 H ARG 30 -7.806 20.581 12.589 226 HA ARG 30 HA ARG 30 -5.614 21.546 10.778 227 HB2 ARG 30 1HB ARG 30 -5.080 21.947 13.090 228 HB3 ARG 30 2HB ARG 30 -5.297 20.215 13.431 229 HG2 ARG 30 1HG ARG 30 -3.449 19.676 11.912 230 HG3 ARG 30 2HG ARG 30 -3.237 21.406 11.548 231 HD2 ARG 30 1HD ARG 30 -2.550 21.847 13.773 232 HD3 ARG 30 2HD ARG 30 -2.927 20.181 14.268 233 HE ARG 30 HE ARG 30 -0.759 19.518 13.284 234 HH11 ARG 30 1HH1 ARG 30 -1.526 22.795 12.369 235 HH12 ARG 30 2HH1 ARG 30 0.113 23.024 11.792 236 HH21 ARG 30 1HH2 ARG 30 1.120 19.762 12.620 237 HH22 ARG 30 2HH2 ARG 30 1.622 21.294 11.934 238 H VAL 31 H VAL 31 -4.883 20.230 9.308 239 HA VAL 31 HA VAL 31 -5.599 17.306 9.530 240 HB VAL 31 HB VAL 31 -5.385 19.016 7.014 241 HG11 VAL 31 1HG1 VAL 31 -6.173 16.970 5.871 242 HG12 VAL 31 2HG1 VAL 31 -4.626 16.684 6.702 243 HG13 VAL 31 3HG1 VAL 31 -6.145 16.094 7.420 244 HG21 VAL 31 3HG2 VAL 31 -7.410 19.529 8.241 245 HG22 VAL 31 1HG2 VAL 31 -7.783 18.615 6.761 246 HG23 VAL 31 2HG2 VAL 31 -7.811 17.797 8.342 247 H ALA 32 H ALA 32 -4.045 15.962 9.668 248 HA ALA 32 HA ALA 32 -1.309 16.895 8.990 249 HB1 ALA 32 3HB ALA 32 -2.268 14.389 10.417 250 HB2 ALA 32 1HB ALA 32 -0.571 14.869 10.183 251 HB3 ALA 32 2HB ALA 32 -1.644 15.867 11.192 252 H GLY 33 H GLY 33 -2.149 16.853 6.675 253 HA2 GLY 33 1HA GLY 33 -2.210 14.108 5.540 254 HA3 GLY 33 2HA GLY 33 -2.671 15.612 4.704 255 H ASN 34 H ASN 34 -1.121 13.936 3.310 256 HA ASN 34 HA ASN 34 1.326 15.476 2.929 257 HB2 ASN 34 3HB ASN 34 1.883 13.862 4.889 258 HB3 ASN 34 2HB ASN 34 1.581 12.509 3.826 259 HD21 ASN 34 2HD2 ASN 34 3.972 12.907 5.179 260 HD22 ASN 34 1HD2 ASN 34 5.230 13.156 3.857 261 HA PRO 35 HA PRO 35 2.163 16.247 1.602 262 HB2 PRO 35 1HB PRO 35 0.918 17.409 -0.879 263 HB3 PRO 35 2HB PRO 35 2.630 17.332 -0.440 264 HG2 PRO 35 1HG PRO 35 1.659 15.766 -2.397 265 HG3 PRO 35 2HG PRO 35 2.896 15.151 -1.292 266 HD2 PRO 35 1HD PRO 35 -0.121 14.659 -1.231 267 HD3 PRO 35 2HD PRO 35 1.192 13.494 -1.017 268 H LYS 36 H LYS 36 1.499 18.461 2.012 269 HA LYS 36 HA LYS 36 -0.848 18.565 3.576 270 HB2 LYS 36 1HB LYS 36 0.516 20.848 2.153 271 HB3 LYS 36 2HB LYS 36 -0.604 20.973 3.530 272 HG2 LYS 36 1HG LYS 36 2.054 19.516 3.638 273 HG3 LYS 36 2HG LYS 36 1.841 21.219 4.112 274 HD2 LYS 36 1HD LYS 36 0.317 20.619 5.870 275 HD3 LYS 36 2HD LYS 36 0.247 18.933 5.306 276 HE2 LYS 36 1HE LYS 36 2.517 18.537 5.942 277 HE3 LYS 36 2HE LYS 36 2.795 20.266 6.252 278 HZ1 LYS 36 3HZ LYS 36 0.981 18.518 7.788 279 HZ2 LYS 36 1HZ LYS 36 2.464 19.039 8.290 280 HZ3 LYS 36 2HZ LYS 36 1.238 20.122 8.076 281 HA PRO 37 HA PRO 37 -3.870 18.488 0.327 282 HB2 PRO 37 1HB PRO 37 -5.707 18.779 2.718 283 HB3 PRO 37 2HB PRO 37 -5.730 17.542 1.454 284 HG2 PRO 37 1HG PRO 37 -4.854 16.917 3.901 285 HG3 PRO 37 2HG PRO 37 -4.027 16.263 2.481 286 HD2 PRO 37 1HD PRO 37 -3.193 18.597 4.260 287 HD3 PRO 37 2HD PRO 37 -2.190 17.306 3.589 288 H LYS 38 H LYS 38 -5.367 19.859 -0.575 289 HA LYS 38 HA LYS 38 -5.054 22.687 0.256 290 HB2 LYS 38 1HB LYS 38 -6.491 21.412 -2.072 291 HB3 LYS 38 2HB LYS 38 -6.334 23.162 -1.783 292 HG2 LYS 38 1HG LYS 38 -3.887 22.977 -1.997 293 HG3 LYS 38 2HG LYS 38 -4.046 21.230 -2.294 294 HD2 LYS 38 1HD LYS 38 -5.330 21.661 -4.324 295 HD3 LYS 38 2HD LYS 38 -5.275 23.412 -4.011 296 HE2 LYS 38 1HE LYS 38 -2.833 23.383 -4.214 297 HE3 LYS 38 2HE LYS 38 -2.869 21.628 -4.498 298 HZ1 LYS 38 3HZ LYS 38 -4.096 23.671 -6.236 299 HZ2 LYS 38 1HZ LYS 38 -2.697 22.858 -6.553 300 HZ3 LYS 38 2HZ LYS 38 -4.131 22.043 -6.499 301 H ILE 39 H ILE 39 -6.160 22.221 2.321 302 HA ILE 39 HA ILE 39 -8.736 21.197 2.636 303 HB ILE 39 HB ILE 39 -7.434 23.569 4.051 304 HG12 ILE 39 1HG1 ILE 39 -7.790 20.718 4.938 305 HG13 ILE 39 2HG1 ILE 39 -6.315 21.377 4.194 306 HG21 ILE 39 1HG2 ILE 39 -9.129 23.221 5.817 307 HG22 ILE 39 2HG2 ILE 39 -9.894 23.668 4.274 308 HG23 ILE 39 3HG2 ILE 39 -9.913 21.975 4.817 309 HD11 ILE 39 3HD1 ILE 39 -7.557 22.308 6.806 310 HD12 ILE 39 1HD1 ILE 39 -6.109 21.287 6.647 311 HD13 ILE 39 2HD1 ILE 39 -6.081 22.967 6.062 312 H TYR 40 H TYR 40 -10.585 21.522 1.792 313 HA TYR 40 HA TYR 40 -11.293 24.323 0.979 314 HB2 TYR 40 1HB TYR 40 -12.460 21.675 0.088 315 HB3 TYR 40 2HB TYR 40 -12.986 23.289 -0.449 316 HD1 TYR 40 HD2 TYR 40 -11.118 24.770 -1.547 317 HD2 TYR 40 HD1 TYR 40 -10.873 20.529 -1.184 318 HE1 TYR 40 HE2 TYR 40 -9.443 24.723 -3.364 319 HE2 TYR 40 HE1 TYR 40 -9.193 20.462 -3.004 320 HH TYR 40 HH TYR 40 -8.085 23.425 -4.652 321 H TRP 41 H TRP 41 -13.256 25.199 1.511 322 HA TRP 41 HA TRP 41 -14.814 23.695 3.590 323 HB2 TRP 41 1HB TRP 41 -14.244 26.679 3.374 324 HB3 TRP 41 2HB TRP 41 -15.459 25.972 4.465 325 HD1 TRP 41 HD1 TRP 41 -11.796 26.205 3.885 326 HE1 TRP 41 HE1 TRP 41 -10.489 25.620 6.178 327 HE3 TRP 41 HE3 TRP 41 -15.791 24.696 6.641 328 HZ2 TRP 41 HZ2 TRP 41 -11.218 24.677 8.671 329 HZ3 TRP 41 HZ3 TRP 41 -15.484 23.968 8.926 330 HH2 TRP 41 HH2 TRP 41 -13.266 23.939 9.982 331 H PHE 42 H PHE 42 -16.946 23.510 3.393 332 HA PHE 42 HA PHE 42 -18.422 25.380 1.655 333 HB2 PHE 42 1HB PHE 42 -19.536 23.517 0.407 334 HB3 PHE 42 2HB PHE 42 -17.805 23.654 0.024 335 HD1 PHE 42 HD2 PHE 42 -16.210 22.018 0.896 336 HD2 PHE 42 HD1 PHE 42 -20.426 21.595 1.444 337 HE1 PHE 42 HE2 PHE 42 -15.897 19.626 1.439 338 HE2 PHE 42 HE1 PHE 42 -20.117 19.204 1.990 339 HZ PHE 42 HZ PHE 42 -17.852 18.219 1.987 340 H LYS 43 H LYS 43 -20.592 25.520 2.066 341 HA LYS 43 HA LYS 43 -21.341 24.279 4.695 342 HB2 LYS 43 1HB LYS 43 -20.997 26.764 4.592 343 HB3 LYS 43 2HB LYS 43 -22.368 26.836 3.462 344 HG2 LYS 43 1HG LYS 43 -22.803 25.448 6.070 345 HG3 LYS 43 2HG LYS 43 -22.642 27.222 6.106 346 HD2 LYS 43 1HD LYS 43 -24.388 27.277 4.244 347 HD3 LYS 43 2HD LYS 43 -24.668 25.555 4.592 348 HE2 LYS 43 1HE LYS 43 -24.972 26.325 7.045 349 HE3 LYS 43 2HE LYS 43 -25.153 27.953 6.354 350 HZ1 LYS 43 3HZ LYS 43 -26.807 25.609 5.671 351 HZ2 LYS 43 1HZ LYS 43 -27.276 26.865 6.634 352 HZ3 LYS 43 2HZ LYS 43 -26.976 27.117 5.031 353 H ASP 44 H ASP 44 -22.665 22.660 4.488 354 HA ASP 44 HA ASP 44 -24.342 21.293 3.637 355 HB2 ASP 44 1HB ASP 44 -25.694 24.021 3.173 356 HB3 ASP 44 2HB ASP 44 -26.336 22.379 2.934 357 H GLY 45 H GLY 45 -22.179 22.113 1.850 358 HA2 GLY 45 1HA GLY 45 -21.907 21.015 -0.290 359 HA3 GLY 45 2HA GLY 45 -23.604 21.390 -0.671 360 H LYS 46 H LYS 46 -23.007 24.153 0.605 361 HA LYS 46 HA LYS 46 -22.425 25.424 -1.978 362 HB2 LYS 46 1HB LYS 46 -24.187 26.236 -0.459 363 HB3 LYS 46 2HB LYS 46 -22.939 26.614 0.752 364 HG2 LYS 46 1HG LYS 46 -21.935 28.251 -0.780 365 HG3 LYS 46 2HG LYS 46 -23.164 27.862 -2.008 366 HD2 LYS 46 1HD LYS 46 -24.936 28.622 -0.473 367 HD3 LYS 46 2HD LYS 46 -23.704 29.020 0.748 368 HE2 LYS 46 1HE LYS 46 -22.693 30.639 -0.807 369 HE3 LYS 46 2HE LYS 46 -23.940 30.252 -2.014 370 HZ1 LYS 46 3HZ LYS 46 -24.437 31.424 0.647 371 HZ2 LYS 46 1HZ LYS 46 -24.481 32.241 -0.785 372 HZ3 LYS 46 2HZ LYS 46 -25.593 31.064 -0.473 373 H GLN 47 H GLN 47 -20.455 25.601 -2.689 374 HA GLN 47 HA GLN 47 -18.113 25.408 -1.077 375 HB2 GLN 47 1HB GLN 47 -18.235 25.032 -3.524 376 HB3 GLN 47 2HB GLN 47 -18.460 26.783 -3.749 377 HG2 GLN 47 1HG GLN 47 -15.984 27.076 -2.716 378 HG3 GLN 47 2HG GLN 47 -16.265 25.327 -2.559 379 HE21 GLN 47 2HE2 GLN 47 -14.013 26.259 -3.827 380 HE22 GLN 47 1HE2 GLN 47 -14.120 25.945 -5.528 381 H ILE 48 H ILE 48 -16.985 26.728 0.116 382 HA ILE 48 HA ILE 48 -17.886 29.588 0.252 383 HB ILE 48 HB ILE 48 -16.239 27.892 2.194 384 HG12 ILE 48 1HG1 ILE 48 -19.013 29.000 2.521 385 HG13 ILE 48 2HG1 ILE 48 -18.644 27.339 2.000 386 HG21 ILE 48 1HG2 ILE 48 -16.445 29.833 3.710 387 HG22 ILE 48 2HG2 ILE 48 -15.580 30.274 2.220 388 HG23 ILE 48 3HG2 ILE 48 -17.283 30.744 2.432 389 HD11 ILE 48 3HD1 ILE 48 -17.840 28.594 4.649 390 HD12 ILE 48 1HD1 ILE 48 -19.158 27.424 4.408 391 HD13 ILE 48 2HD1 ILE 48 -17.470 26.934 4.128 392 H SER 49 H SER 49 -16.809 31.117 -0.610 393 HA SER 49 HA SER 49 -13.982 30.748 -1.485 394 HB2 SER 49 1HB SER 49 -15.409 31.749 -2.990 395 HB3 SER 49 2HB SER 49 -15.900 32.977 -1.802 396 HG SER 49 HG SER 49 -13.705 33.655 -1.760 397 HA PRO 50 HA PRO 50 -12.291 32.434 2.302 398 HB2 PRO 50 1HB PRO 50 -10.102 33.244 0.345 399 HB3 PRO 50 2HB PRO 50 -9.943 32.379 1.880 400 HG2 PRO 50 1HG PRO 50 -9.705 31.033 -0.409 401 HG3 PRO 50 2HG PRO 50 -10.593 30.305 0.936 402 HD2 PRO 50 1HD PRO 50 -11.694 31.629 -1.576 403 HD3 PRO 50 2HD PRO 50 -12.277 30.187 -0.734 404 H LYS 51 H LYS 51 -12.485 34.273 3.269 405 HA LYS 51 HA LYS 51 -12.990 36.520 3.579 406 HB2 LYS 51 1HB LYS 51 -11.437 36.799 1.002 407 HB3 LYS 51 2HB LYS 51 -11.885 38.125 2.099 408 HG2 LYS 51 1HG LYS 51 -10.511 37.098 3.880 409 HG3 LYS 51 2HG LYS 51 -10.038 35.803 2.754 410 HD2 LYS 51 1HD LYS 51 -9.003 37.462 1.266 411 HD3 LYS 51 2HD LYS 51 -9.494 38.767 2.371 412 HE2 LYS 51 1HE LYS 51 -8.107 37.826 4.143 413 HE3 LYS 51 2HE LYS 51 -7.658 36.463 3.093 414 HZ1 LYS 51 3HZ LYS 51 -7.014 39.298 2.592 415 HZ2 LYS 51 1HZ LYS 51 -5.954 38.155 3.131 416 HZ3 LYS 51 2HZ LYS 51 -6.597 38.034 1.617 417 H SER 52 H SER 52 -15.133 35.312 2.833 418 HA SER 52 HA SER 52 -16.337 36.638 0.425 419 HB2 SER 52 1HB SER 52 -16.606 34.277 0.831 420 HB3 SER 52 2HB SER 52 -17.572 34.688 2.265 421 HG SER 52 HG SER 52 -18.890 34.419 0.448 422 H ASP 53 H ASP 53 -18.941 36.746 1.334 423 HA ASP 53 HA ASP 53 -19.111 39.368 2.393 424 HB2 ASP 53 1HB ASP 53 -21.219 37.122 2.399 425 HB3 ASP 53 2HB ASP 53 -21.367 38.813 2.940 426 H HIS 54 H HIS 54 -19.407 36.243 4.074 427 HA HIS 54 HA HIS 54 -18.725 37.676 6.599 428 HB2 HIS 54 1HB HIS 54 -21.036 35.709 6.276 429 HB3 HIS 54 2HB HIS 54 -20.428 36.336 7.827 430 HD2 HIS 54 HD2 HIS 54 -23.038 37.319 5.099 431 HE1 HIS 54 HE1 HIS 54 -22.381 40.661 7.638 432 HE2 HIS 54 HE2 HIS 54 -23.860 39.591 5.748 433 H TYR 55 H TYR 55 -17.996 35.316 4.430 434 HA TYR 55 HA TYR 55 -17.111 33.362 6.523 435 HB2 TYR 55 1HB TYR 55 -17.607 33.027 3.561 436 HB3 TYR 55 2HB TYR 55 -16.974 31.766 4.651 437 HD1 TYR 55 HD1 TYR 55 -18.957 33.011 6.915 438 HD2 TYR 55 HD2 TYR 55 -19.436 31.352 3.015 439 HE1 TYR 55 HE1 TYR 55 -21.272 32.344 7.490 440 HE2 TYR 55 HE2 TYR 55 -21.747 30.678 3.572 441 HH TYR 55 HH TYR 55 -23.492 31.848 6.110 442 H THR 56 H THR 56 -15.187 34.153 7.161 443 HA THR 56 HA THR 56 -13.139 34.674 5.059 444 HB THR 56 HB THR 56 -13.064 35.146 8.069 445 HG1 THR 56 HG1 THR 56 -13.183 37.364 7.373 446 HG21 THR 56 1HG2 THR 56 -10.996 36.405 7.578 447 HG22 THR 56 2HG2 THR 56 -10.831 34.697 7.108 448 HG23 THR 56 3HG2 THR 56 -11.117 35.938 5.866 449 H ILE 57 H ILE 57 -11.861 33.148 4.419 450 HA ILE 57 HA ILE 57 -11.218 30.915 6.328 451 HB ILE 57 HB ILE 57 -11.036 31.056 3.281 452 HG12 ILE 57 1HG1 ILE 57 -12.817 29.380 5.029 453 HG13 ILE 57 2HG1 ILE 57 -13.303 30.890 4.225 454 HG21 ILE 57 1HG2 ILE 57 -10.409 28.670 3.429 455 HG22 ILE 57 2HG2 ILE 57 -9.224 29.697 4.270 456 HG23 ILE 57 3HG2 ILE 57 -10.425 28.775 5.205 457 HD11 ILE 57 3HD1 ILE 57 -12.360 28.358 2.833 458 HD12 ILE 57 1HD1 ILE 57 -14.044 28.921 2.942 459 HD13 ILE 57 2HD1 ILE 57 -12.845 29.869 2.029 460 H GLN 58 H GLN 58 -9.362 30.754 7.211 461 HA GLN 58 HA GLN 58 -7.038 32.043 5.823 462 HB2 GLN 58 1HB GLN 58 -7.567 31.675 8.775 463 HB3 GLN 58 2HB GLN 58 -6.029 32.232 8.076 464 HG2 GLN 58 1HG GLN 58 -7.446 34.368 7.159 465 HG3 GLN 58 2HG GLN 58 -8.673 33.388 7.996 466 HE21 GLN 58 2HE2 GLN 58 -8.383 35.992 8.711 467 HE22 GLN 58 1HE2 GLN 58 -7.630 36.116 10.266 468 H ARG 59 H ARG 59 -6.096 30.450 4.761 469 HA ARG 59 HA ARG 59 -5.843 27.802 6.135 470 HB2 ARG 59 1HB ARG 59 -6.995 27.899 3.976 471 HB3 ARG 59 2HB ARG 59 -5.459 28.411 3.239 472 HG2 ARG 59 1HG ARG 59 -4.406 26.323 3.865 473 HG3 ARG 59 2HG ARG 59 -5.861 25.818 4.759 474 HD2 ARG 59 1HD ARG 59 -5.815 24.638 2.737 475 HD3 ARG 59 2HD ARG 59 -7.089 25.874 2.607 476 HE ARG 59 HE ARG 59 -4.544 26.657 1.274 477 HH11 ARG 59 1HH1 ARG 59 -7.617 25.058 0.873 478 HH12 ARG 59 2HH1 ARG 59 -7.557 25.363 -0.853 479 HH21 ARG 59 1HH2 ARG 59 -4.456 27.006 -0.700 480 HH22 ARG 59 2HH2 ARG 59 -5.755 26.472 -1.750 481 H ASP 60 H ASP 60 -4.046 27.368 7.114 482 HA ASP 60 HA ASP 60 -1.515 28.602 6.110 483 HB2 ASP 60 1HB ASP 60 -2.170 28.783 8.636 484 HB3 ASP 60 2HB ASP 60 -2.031 27.010 8.539 485 H LEU 61 H LEU 61 0.060 27.508 5.210 486 HA LEU 61 HA LEU 61 -0.493 24.870 4.192 487 HB2 LEU 61 1HB LEU 61 1.931 26.530 4.426 488 HB3 LEU 61 2HB LEU 61 2.001 25.030 3.473 489 HG LEU 61 HG LEU 61 0.285 27.474 2.889 490 HD11 LEU 61 1HD1 LEU 61 1.722 27.659 0.841 491 HD12 LEU 61 2HD1 LEU 61 2.695 27.773 2.326 492 HD13 LEU 61 3HD1 LEU 61 2.665 26.257 1.395 493 HD21 LEU 61 3HD2 LEU 61 -0.877 25.430 2.294 494 HD22 LEU 61 1HD2 LEU 61 -0.361 26.287 0.821 495 HD23 LEU 61 2HD2 LEU 61 0.539 24.857 1.381 496 H ASP 62 H ASP 62 0.802 25.953 7.170 497 HA ASP 62 HA ASP 62 2.413 23.727 7.906 498 HB2 ASP 62 1HB ASP 62 1.970 25.952 9.262 499 HB3 ASP 62 2HB ASP 62 0.454 25.091 9.630 500 H GLY 63 H GLY 63 -1.084 24.090 7.761 501 HA2 GLY 63 1HA GLY 63 -2.060 21.785 7.137 502 HA3 GLY 63 2HA GLY 63 -1.343 21.258 8.675 503 H THR 64 H THR 64 -2.060 24.248 9.469 504 HA THR 64 HA THR 64 -4.798 23.542 10.433 505 HB THR 64 HB THR 64 -2.869 25.725 11.336 506 HG1 THR 64 HG1 THR 64 -3.098 24.248 13.309 507 HG21 THR 64 1HG2 THR 64 -4.473 26.049 13.187 508 HG22 THR 64 2HG2 THR 64 -5.239 26.369 11.613 509 HG23 THR 64 3HG2 THR 64 -5.556 24.838 12.462 510 H CYS 65 H CYS 65 -6.555 24.468 9.736 511 HA CYS 65 HA CYS 65 -6.343 27.099 8.236 512 HB2 CYS 65 1HB CYS 65 -6.490 25.052 6.796 513 HB3 CYS 65 2HB CYS 65 -8.003 24.615 7.626 514 HG CYS 65 HG CYS 65 -8.280 25.492 5.169 515 H SER 66 H SER 66 -7.702 28.603 8.990 516 HA SER 66 HA SER 66 -9.724 27.820 11.093 517 HB2 SER 66 1HB SER 66 -8.371 30.402 10.596 518 HB3 SER 66 2HB SER 66 -9.599 30.039 11.831 519 HG SER 66 HG SER 66 -7.460 29.869 12.630 520 H LEU 67 H LEU 67 -11.821 28.494 10.942 521 HA LEU 67 HA LEU 67 -12.574 30.185 8.586 522 HB2 LEU 67 1HB LEU 67 -13.223 28.053 8.157 523 HB3 LEU 67 2HB LEU 67 -14.027 27.736 9.712 524 HG LEU 67 HG LEU 67 -15.651 29.592 9.123 525 HD11 LEU 67 1HD1 LEU 67 -15.844 30.163 6.687 526 HD12 LEU 67 2HD1 LEU 67 -14.269 30.662 7.346 527 HD13 LEU 67 3HD1 LEU 67 -14.393 29.186 6.359 528 HD21 LEU 67 3HD2 LEU 67 -16.268 27.253 8.965 529 HD22 LEU 67 1HD2 LEU 67 -17.009 28.167 7.631 530 HD23 LEU 67 2HD2 LEU 67 -15.578 27.151 7.326 531 H HIS 68 H HIS 68 -13.332 32.058 9.112 532 HA HIS 68 HA HIS 68 -14.714 32.326 11.762 533 HB2 HIS 68 1HB HIS 68 -12.646 33.639 11.732 534 HB3 HIS 68 2HB HIS 68 -13.110 34.386 10.184 535 HD2 HIS 68 HD2 HIS 68 -14.404 36.859 10.520 536 HE1 HIS 68 HE1 HIS 68 -15.489 36.209 14.576 537 HE2 HIS 68 HE2 HIS 68 -15.461 37.878 12.545 538 H THR 69 H THR 69 -16.790 32.611 11.703 539 HA THR 69 HA THR 69 -18.005 33.939 9.317 540 HB THR 69 HB THR 69 -19.317 32.532 11.681 541 HG1 THR 69 HG1 THR 69 -19.782 30.952 10.033 542 HG21 THR 69 1HG2 THR 69 -21.377 32.710 10.329 543 HG22 THR 69 2HG2 THR 69 -20.721 34.321 10.713 544 HG23 THR 69 3HG2 THR 69 -20.486 33.628 9.091 545 H THR 70 H THR 70 -18.421 35.985 9.305 546 HA THR 70 HA THR 70 -17.847 37.640 11.597 547 HB THR 70 HB THR 70 -19.303 38.302 9.004 548 HG1 THR 70 HG1 THR 70 -17.215 39.179 8.477 549 HG21 THR 70 1HG2 THR 70 -18.767 40.646 9.564 550 HG22 THR 70 2HG2 THR 70 -19.815 39.916 10.805 551 HG23 THR 70 3HG2 THR 70 -18.074 40.117 11.115 552 H ALA 71 H ALA 71 -20.894 36.577 10.101 553 HA ALA 71 HA ALA 71 -22.283 37.286 12.618 554 HB1 ALA 71 3HB ALA 71 -23.113 38.363 9.902 555 HB2 ALA 71 1HB ALA 71 -24.044 38.514 11.411 556 HB3 ALA 71 2HB ALA 71 -22.466 39.318 11.252 557 H SER 72 H SER 72 -22.553 35.103 12.971 558 HA SER 72 HA SER 72 -23.730 33.301 10.951 559 HB2 SER 72 1HB SER 72 -22.141 32.503 12.458 560 HB3 SER 72 2HB SER 72 -23.185 32.924 13.834 561 HG SER 72 HG SER 72 -23.822 31.115 11.742 562 H THR 73 H THR 73 -25.806 33.767 10.367 563 HA THR 73 HA THR 73 -27.791 34.203 12.573 564 HB THR 73 HB THR 73 -29.252 35.210 10.909 565 HG1 THR 73 HG1 THR 73 -27.177 34.517 9.067 566 HG21 THR 73 1HG2 THR 73 -27.914 37.185 10.269 567 HG22 THR 73 2HG2 THR 73 -27.562 36.688 11.942 568 HG23 THR 73 3HG2 THR 73 -26.419 36.292 10.637 569 H LEU 74 H LEU 74 -30.089 33.532 11.647 570 HA LEU 74 HA LEU 74 -30.082 30.675 11.790 571 HB2 LEU 74 1HB LEU 74 -32.043 32.671 10.892 572 HB3 LEU 74 2HB LEU 74 -32.561 30.980 11.086 573 HG LEU 74 HG LEU 74 -31.530 32.816 13.284 574 HD11 LEU 74 1HD1 LEU 74 -33.867 32.632 14.175 575 HD12 LEU 74 2HD1 LEU 74 -33.850 33.352 12.547 576 HD13 LEU 74 3HD1 LEU 74 -34.312 31.646 12.763 577 HD21 LEU 74 3HD2 LEU 74 -30.852 30.518 13.655 578 HD22 LEU 74 1HD2 LEU 74 -32.119 30.973 14.820 579 HD23 LEU 74 2HD2 LEU 74 -32.524 29.956 13.416 580 H ASP 75 H ASP 75 -29.979 32.872 9.072 581 HA ASP 75 HA ASP 75 -30.484 30.772 7.092 582 HB2 ASP 75 1HB ASP 75 -29.356 33.620 6.792 583 HB3 ASP 75 2HB ASP 75 -29.604 32.363 5.556 584 H ASP 76 H ASP 76 -27.802 31.756 8.982 585 HA ASP 76 HA ASP 76 -25.876 30.452 7.119 586 HB2 ASP 76 1HB ASP 76 -25.317 31.894 9.779 587 HB3 ASP 76 2HB ASP 76 -24.232 31.144 8.584 588 H ASP 77 H ASP 77 -27.797 29.751 9.865 589 HA ASP 77 HA ASP 77 -26.303 27.684 11.104 590 HB2 ASP 77 1HB ASP 77 -28.616 28.574 11.866 591 HB3 ASP 77 2HB ASP 77 -29.173 27.687 10.426 592 H GLY 78 H GLY 78 -25.565 25.807 10.531 593 HA2 GLY 78 1HA GLY 78 -26.762 23.812 9.062 594 HA3 GLY 78 2HA GLY 78 -26.016 24.841 7.816 595 H ASN 79 H ASN 79 -24.763 22.866 7.362 596 HA ASN 79 HA ASN 79 -22.652 22.286 9.410 597 HB2 ASN 79 1HB ASN 79 -23.376 20.390 7.061 598 HB3 ASN 79 2HB ASN 79 -22.242 20.445 8.432 599 HD21 ASN 79 2HD2 ASN 79 -25.315 19.553 7.354 600 HD22 ASN 79 1HD2 ASN 79 -25.999 19.100 8.879 601 H TYR 80 H TYR 80 -20.937 23.484 9.144 602 HA TYR 80 HA TYR 80 -20.017 24.238 6.439 603 HB2 TYR 80 1HB TYR 80 -18.908 24.732 9.209 604 HB3 TYR 80 2HB TYR 80 -18.176 25.330 7.698 605 HD1 TYR 80 HD1 TYR 80 -21.372 25.441 9.653 606 HD2 TYR 80 HD2 TYR 80 -18.835 27.410 6.845 607 HE1 TYR 80 HE1 TYR 80 -22.837 27.438 9.739 608 HE2 TYR 80 HE2 TYR 80 -20.285 29.410 6.921 609 HH TYR 80 HH TYR 80 -23.384 29.433 8.488 610 H THR 81 H THR 81 -19.820 21.940 5.805 611 HA THR 81 HA THR 81 -17.935 20.217 7.144 612 HB THR 81 HB THR 81 -18.968 20.090 4.280 613 HG1 THR 81 HG1 THR 81 -20.467 18.592 5.239 614 HG21 THR 81 1HG2 THR 81 -18.390 17.694 4.448 615 HG22 THR 81 2HG2 THR 81 -16.949 18.718 4.668 616 HG23 THR 81 3HG2 THR 81 -17.731 17.967 6.079 617 H ILE 82 H ILE 82 -15.846 19.915 6.981 618 HA ILE 82 HA ILE 82 -14.365 21.477 4.882 619 HB ILE 82 HB ILE 82 -13.472 22.177 6.954 620 HG12 ILE 82 1HG1 ILE 82 -11.831 19.773 6.204 621 HG13 ILE 82 2HG1 ILE 82 -11.802 21.346 5.374 622 HG21 ILE 82 1HG2 ILE 82 -13.000 20.640 8.831 623 HG22 ILE 82 2HG2 ILE 82 -14.717 20.579 8.371 624 HG23 ILE 82 3HG2 ILE 82 -13.616 19.276 7.869 625 HD11 ILE 82 3HD1 ILE 82 -11.047 20.853 8.275 626 HD12 ILE 82 1HD1 ILE 82 -9.909 21.130 6.936 627 HD13 ILE 82 2HD1 ILE 82 -11.018 22.427 7.444 628 H MET 83 H MET 83 -12.979 20.598 3.527 629 HA MET 83 HA MET 83 -12.664 17.623 3.642 630 HB2 MET 83 1HB MET 83 -14.515 18.202 2.132 631 HB3 MET 83 2HB MET 83 -13.414 19.255 1.211 632 HG2 MET 83 1HG MET 83 -12.043 17.309 0.618 633 HG3 MET 83 2HG MET 83 -13.129 16.252 1.552 634 HE1 MET 83 3HE MET 83 -16.004 17.098 0.945 635 HE2 MET 83 1HE MET 83 -16.382 16.176 -0.531 636 HE3 MET 83 2HE MET 83 -15.432 15.420 0.773 637 H ALA 84 H ALA 84 -10.624 17.187 3.800 638 HA ALA 84 HA ALA 84 -8.650 19.067 2.636 639 HB1 ALA 84 3HB ALA 84 -8.281 16.646 4.435 640 HB2 ALA 84 1HB ALA 84 -6.996 17.759 3.915 641 HB3 ALA 84 2HB ALA 84 -8.311 18.346 4.957 642 H ALA 85 H ALA 85 -8.806 18.696 0.456 643 HA ALA 85 HA ALA 85 -8.415 15.915 -0.498 644 HB1 ALA 85 3HB ALA 85 -9.014 18.481 -2.014 645 HB2 ALA 85 1HB ALA 85 -8.928 16.852 -2.720 646 HB3 ALA 85 2HB ALA 85 -10.199 17.239 -1.540 647 H ASN 86 H ASN 86 -6.554 15.125 -1.121 648 HA ASN 86 HA ASN 86 -4.566 16.964 -2.368 649 HB2 ASN 86 1HB ASN 86 -2.742 16.384 -0.824 650 HB3 ASN 86 2HB ASN 86 -4.330 16.496 -0.026 651 HD21 ASN 86 2HD2 ASN 86 -2.312 15.219 1.223 652 HD22 ASN 86 1HD2 ASN 86 -2.605 13.512 1.258 653 HA PRO 87 HA PRO 87 -3.679 14.069 -5.373 654 HB2 PRO 87 1HB PRO 87 -0.907 13.483 -4.241 655 HB3 PRO 87 2HB PRO 87 -1.343 14.007 -5.873 656 HG2 PRO 87 1HG PRO 87 -0.273 15.768 -4.186 657 HG3 PRO 87 2HG PRO 87 -1.614 16.271 -5.223 658 HD2 PRO 87 1HD PRO 87 -1.653 15.577 -2.260 659 HD3 PRO 87 2HD PRO 87 -2.549 16.838 -3.117 660 H GLN 88 H GLN 88 -3.084 12.979 -2.121 661 HA GLN 88 HA GLN 88 -2.950 10.153 -3.079 662 HB2 GLN 88 1HB GLN 88 -2.374 11.349 -0.361 663 HB3 GLN 88 2HB GLN 88 -2.145 9.650 -0.838 664 HG2 GLN 88 1HG GLN 88 -0.352 12.017 -1.867 665 HG3 GLN 88 2HG GLN 88 -0.210 10.665 -0.719 666 HE21 GLN 88 2HE2 GLN 88 0.453 11.694 -3.819 667 HE22 GLN 88 1HE2 GLN 88 0.665 10.156 -4.587 668 H GLY 89 H GLY 89 -5.293 12.227 -2.301 669 HA2 GLY 89 1HA GLY 89 -7.481 10.827 -2.271 670 HA3 GLY 89 2HA GLY 89 -6.849 10.229 -0.722 671 H ARG 90 H ARG 90 -8.991 11.151 -0.027 672 HA ARG 90 HA ARG 90 -8.578 13.929 0.934 673 HB2 ARG 90 1HB ARG 90 -10.647 14.746 0.260 674 HB3 ARG 90 2HB ARG 90 -9.718 14.210 -1.158 675 HG2 ARG 90 1HG ARG 90 -11.076 12.167 -1.280 676 HG3 ARG 90 2HG ARG 90 -12.001 12.696 0.146 677 HD2 ARG 90 1HD ARG 90 -12.721 14.671 -1.144 678 HD3 ARG 90 2HD ARG 90 -11.923 13.965 -2.570 679 HE ARG 90 HE ARG 90 -13.910 12.075 -1.611 680 HH11 ARG 90 1HH1 ARG 90 -13.772 15.222 -3.103 681 HH12 ARG 90 2HH1 ARG 90 -15.316 14.929 -3.879 682 HH21 ARG 90 1HH2 ARG 90 -15.683 11.727 -2.485 683 HH22 ARG 90 2HH2 ARG 90 -16.407 12.937 -3.526 684 H VAL 91 H VAL 91 -9.980 14.553 2.643 685 HA VAL 91 HA VAL 91 -11.675 12.462 3.896 686 HB VAL 91 HB VAL 91 -9.377 11.984 4.790 687 HG11 VAL 91 1HG1 VAL 91 -8.344 13.649 6.298 688 HG12 VAL 91 2HG1 VAL 91 -8.468 14.278 4.638 689 HG13 VAL 91 3HG1 VAL 91 -9.620 14.818 5.882 690 HG21 VAL 91 3HG2 VAL 91 -11.348 11.495 6.112 691 HG22 VAL 91 1HG2 VAL 91 -10.010 12.041 7.149 692 HG23 VAL 91 2HG2 VAL 91 -11.345 13.152 6.763 693 H SER 92 H SER 92 -13.287 13.203 5.060 694 HA SER 92 HA SER 92 -13.598 16.222 5.044 695 HB2 SER 92 1HB SER 92 -15.840 15.949 4.590 696 HB3 SER 92 2HB SER 92 -14.838 15.175 3.340 697 HG SER 92 HG SER 92 -16.623 13.886 3.973 698 H CYS 93 H CYS 93 -14.850 17.126 6.709 699 HA CYS 93 HA CYS 93 -15.820 15.366 8.944 700 HB2 CYS 93 1HB CYS 93 -13.439 15.927 9.361 701 HB3 CYS 93 2HB CYS 93 -13.815 17.657 9.160 702 HG CYS 93 HG CYS 93 -14.977 15.566 11.386 703 H THR 94 H THR 94 -17.664 16.139 9.799 704 HA THR 94 HA THR 94 -18.966 18.364 8.446 705 HB THR 94 HB THR 94 -19.859 16.780 10.891 706 HG1 THR 94 HG1 THR 94 -21.099 15.638 9.289 707 HG21 THR 94 1HG2 THR 94 -22.110 17.578 10.267 708 HG22 THR 94 2HG2 THR 94 -21.025 18.943 10.625 709 HG23 THR 94 3HG2 THR 94 -21.406 18.528 8.937 710 H GLY 95 H GLY 95 -19.104 20.406 8.938 711 HA2 GLY 95 1HA GLY 95 -17.983 21.279 11.558 712 HA3 GLY 95 2HA GLY 95 -18.148 22.289 10.103 713 H ARG 96 H ARG 96 -20.334 20.229 12.068 714 HA ARG 96 HA ARG 96 -22.704 21.667 11.553 715 HB2 ARG 96 1HB ARG 96 -22.640 19.483 12.562 716 HB3 ARG 96 2HB ARG 96 -22.009 20.204 14.061 717 HG2 ARG 96 1HG ARG 96 -24.055 21.462 14.375 718 HG3 ARG 96 2HG ARG 96 -24.681 20.900 12.806 719 HD2 ARG 96 1HD ARG 96 -24.682 18.613 13.674 720 HD3 ARG 96 2HD ARG 96 -24.167 19.245 15.255 721 HE ARG 96 HE ARG 96 -26.718 20.461 14.490 722 HH11 ARG 96 1HH1 ARG 96 -25.388 17.447 15.631 723 HH12 ARG 96 2HH1 ARG 96 -26.909 17.064 16.413 724 HH21 ARG 96 1HH2 ARG 96 -28.470 20.033 15.373 725 HH22 ARG 96 2HH2 ARG 96 -28.667 18.537 16.266 726 H LEU 97 H LEU 97 -23.073 23.729 11.751 727 HA LEU 97 HA LEU 97 -22.492 24.937 14.431 728 HB2 LEU 97 1HB LEU 97 -21.084 25.874 12.934 729 HB3 LEU 97 2HB LEU 97 -22.278 26.223 11.663 730 HG LEU 97 HG LEU 97 -23.401 27.807 13.265 731 HD11 LEU 97 1HD1 LEU 97 -22.044 28.600 15.221 732 HD12 LEU 97 2HD1 LEU 97 -22.442 26.872 15.368 733 HD13 LEU 97 3HD1 LEU 97 -20.814 27.371 14.847 734 HD21 LEU 97 3HD2 LEU 97 -21.948 28.624 11.503 735 HD22 LEU 97 1HD2 LEU 97 -21.751 29.622 12.964 736 HD23 LEU 97 2HD2 LEU 97 -20.519 28.408 12.541 737 H MET 98 H MET 98 -24.290 25.007 15.521 738 HA MET 98 HA MET 98 -26.845 25.534 14.062 739 HB2 MET 98 1HB MET 98 -26.285 24.624 16.886 740 HB3 MET 98 2HB MET 98 -27.897 24.858 16.167 741 HG2 MET 98 1HG MET 98 -25.818 22.857 15.228 742 HG3 MET 98 2HG MET 98 -27.224 22.476 16.250 743 HE1 MET 98 3HE MET 98 -29.573 24.146 15.083 744 HE2 MET 98 1HE MET 98 -30.242 23.038 13.862 745 HE3 MET 98 2HE MET 98 -29.692 22.404 15.432 746 H VAL 99 H VAL 99 -28.180 27.192 14.472 747 HA VAL 99 HA VAL 99 -27.035 29.402 16.181 748 HB VAL 99 HB VAL 99 -28.650 29.629 13.609 749 HG11 VAL 99 1HG1 VAL 99 -28.198 32.047 13.847 750 HG12 VAL 99 2HG1 VAL 99 -29.116 31.427 15.239 751 HG13 VAL 99 3HG1 VAL 99 -27.370 31.741 15.392 752 HG21 VAL 99 3HG2 VAL 99 -26.386 28.897 13.152 753 HG22 VAL 99 1HG2 VAL 99 -26.621 30.585 12.640 754 HG23 VAL 99 2HG2 VAL 99 -25.736 30.226 14.142 755 H GLN 100 H GLN 100 -28.126 30.035 17.808 756 HA GLN 100 HA GLN 100 -31.011 29.253 17.950 757 HB2 GLN 100 1HB GLN 100 -29.503 28.438 19.725 758 HB3 GLN 100 2HB GLN 100 -29.091 30.125 20.116 759 HG2 GLN 100 1HG GLN 100 -31.677 30.429 20.825 760 HG3 GLN 100 2HG GLN 100 -31.642 28.769 20.186 761 HE21 GLN 100 2HE2 GLN 100 -32.568 29.544 22.775 762 HE22 GLN 100 1HE2 GLN 100 -31.528 28.806 23.948 763 H ALA 101 H ALA 101 -32.558 30.668 17.819 764 HA ALA 101 HA ALA 101 -31.928 33.535 17.775 765 HB1 ALA 101 3HB ALA 101 -34.583 32.067 17.611 766 HB2 ALA 101 1HB ALA 101 -34.339 33.807 17.335 767 HB3 ALA 101 2HB ALA 101 -33.605 32.620 16.230 768 H VAL 102 H VAL 102 -32.165 34.985 19.326 769 HA VAL 102 HA VAL 102 -33.490 34.144 21.890 770 HB VAL 102 HB VAL 102 -30.773 35.500 21.646 771 HG11 VAL 102 1HG1 VAL 102 -30.737 35.271 24.108 772 HG12 VAL 102 2HG1 VAL 102 -32.114 36.264 23.577 773 HG13 VAL 102 3HG1 VAL 102 -32.373 34.573 24.067 774 HG21 VAL 102 3HG2 VAL 102 -30.606 33.151 21.077 775 HG22 VAL 102 1HG2 VAL 102 -29.865 33.471 22.663 776 HG23 VAL 102 2HG2 VAL 102 -31.471 32.709 22.570 777 H ASN 103 H ASN 103 -34.871 35.484 22.648 778 HA ASN 103 HA ASN 103 -35.516 37.863 21.153 779 HB2 ASN 103 1HB ASN 103 -36.679 37.006 23.905 780 HB3 ASN 103 2HB ASN 103 -36.883 38.400 22.816 781 HD21 ASN 103 2HD2 ASN 103 -38.726 36.247 23.715 782 HD22 ASN 103 1HD2 ASN 103 -39.366 35.564 22.257 783 H GLN 104 H GLN 104 -33.665 37.294 24.095 784 HA GLN 104 HA GLN 104 -33.518 40.125 24.787 785 HB2 GLN 104 1HB GLN 104 -31.930 37.696 25.644 786 HB3 GLN 104 2HB GLN 104 -31.693 39.330 26.307 787 HG2 GLN 104 1HG GLN 104 -34.244 39.147 27.203 788 HG3 GLN 104 2HG GLN 104 -34.026 37.624 26.310 789 HE21 GLN 104 2HE2 GLN 104 -34.855 37.741 28.991 790 HE22 GLN 104 1HE2 GLN 104 -33.613 37.055 29.986 791 H ARG 105 H ARG 105 -31.675 37.943 22.782 792 HA ARG 105 HA ARG 105 -29.294 39.609 22.672 793 HB2 ARG 105 1HB ARG 105 -29.146 37.272 22.287 794 HB3 ARG 105 2HB ARG 105 -30.216 37.413 20.871 795 HG2 ARG 105 1HG ARG 105 -27.912 37.220 20.136 796 HG3 ARG 105 2HG ARG 105 -28.533 38.849 19.767 797 HD2 ARG 105 1HD ARG 105 -26.277 38.952 20.550 798 HD3 ARG 105 2HD ARG 105 -27.381 39.714 21.718 799 HE ARG 105 HE ARG 105 -26.774 37.010 22.621 800 HH11 ARG 105 1HH1 ARG 105 -25.231 40.118 22.277 801 HH12 ARG 105 2HH1 ARG 105 -24.178 39.751 23.630 802 HH21 ARG 105 1HH2 ARG 105 -25.571 36.572 24.167 803 HH22 ARG 105 2HH2 ARG 105 -24.370 37.729 24.707 804 H GLY 106 H GLY 106 -29.203 41.539 21.857 805 HA2 GLY 106 1HA GLY 106 -31.206 42.625 20.126 806 HA3 GLY 106 2HA GLY 106 -29.628 43.360 20.502 807 H ARG 107 H ARG 107 -28.284 40.822 19.541 808 HA ARG 107 HA ARG 107 -28.019 41.588 16.731 809 HB2 ARG 107 1HB ARG 107 -26.834 39.351 18.308 810 HB3 ARG 107 2HB ARG 107 -26.538 39.646 16.580 811 HG2 ARG 107 1HG ARG 107 -25.998 41.725 18.710 812 HG3 ARG 107 2HG ARG 107 -24.785 40.519 18.218 813 HD2 ARG 107 1HD ARG 107 -26.095 42.537 16.423 814 HD3 ARG 107 2HD ARG 107 -24.469 42.662 17.137 815 HE ARG 107 HE ARG 107 -24.393 40.303 15.543 816 HH11 ARG 107 1HH1 ARG 107 -25.149 43.652 14.932 817 HH12 ARG 107 2HH1 ARG 107 -24.545 43.496 13.294 818 HH21 ARG 107 1HH2 ARG 107 -23.705 40.106 13.667 819 HH22 ARG 107 2HH2 ARG 107 -23.722 41.474 12.571 820 H SER 108 H SER 108 -29.989 39.377 18.507 821 HA SER 108 HA SER 108 -30.516 37.558 16.213 822 HB2 SER 108 1HB SER 108 -30.345 36.578 18.276 823 HB3 SER 108 2HB SER 108 -31.567 37.665 18.971 824 HG SER 108 HG SER 108 -32.097 35.986 16.759 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 2.374 0.835 5.301 2 H2 GLY 1 2H GLY 1 2.353 1.751 6.489 3 H3 GLY 1 3H GLY 1 1.920 2.255 5.145 4 HA2 GLY 1 1HA GLY 1 4.554 2.419 6.191 5 HA3 GLY 1 2HA GLY 1 4.580 1.332 4.783 6 H GLY 2 H GLY 2 3.643 2.177 2.751 7 HA2 GLY 2 1HA GLY 2 3.278 3.862 1.176 8 HA3 GLY 2 2HA GLY 2 3.359 5.075 2.474 9 H SER 3 H SER 3 4.608 6.340 0.937 10 HA SER 3 HA SER 3 7.553 5.688 1.081 11 HB2 SER 3 1HB SER 3 6.763 4.770 -0.969 12 HB3 SER 3 2HB SER 3 6.201 6.387 -1.453 13 HG SER 3 HG SER 3 8.306 5.912 -2.218 14 H ASN 4 H ASN 4 7.479 7.414 2.707 15 HA ASN 4 HA ASN 4 7.645 9.630 3.397 16 HB2 ASN 4 1HB ASN 4 9.449 9.542 1.273 17 HB3 ASN 4 2HB ASN 4 7.976 10.354 0.690 18 HD21 ASN 4 2HD2 ASN 4 9.541 12.087 0.309 19 HD22 ASN 4 1HD2 ASN 4 9.865 13.199 1.598 20 H ALA 5 H ALA 5 5.071 8.847 2.978 21 HA ALA 5 HA ALA 5 3.829 11.433 2.372 22 HB1 ALA 5 3HB ALA 5 3.119 8.965 0.748 23 HB2 ALA 5 1HB ALA 5 2.247 10.516 0.722 24 HB3 ALA 5 2HB ALA 5 3.924 10.431 0.135 25 H THR 6 H THR 6 1.627 11.578 3.014 26 HA THR 6 HA THR 6 0.672 9.367 4.769 27 HB THR 6 HB THR 6 0.984 12.252 5.698 28 HG1 THR 6 HG1 THR 6 2.311 9.847 6.504 29 HG21 THR 6 1HG2 THR 6 0.170 11.374 7.858 30 HG22 THR 6 2HG2 THR 6 -1.040 11.139 6.575 31 HG23 THR 6 3HG2 THR 6 -0.049 9.768 7.124 32 H ALA 7 H ALA 7 -1.369 8.959 4.526 33 HA ALA 7 HA ALA 7 -3.009 10.507 2.754 34 HB1 ALA 7 3HB ALA 7 -3.790 8.389 4.786 35 HB2 ALA 7 1HB ALA 7 -4.825 9.006 3.478 36 HB3 ALA 7 2HB ALA 7 -3.344 8.100 3.087 37 HA PRO 8 HA PRO 8 -4.545 13.752 5.240 38 HB2 PRO 8 1HB PRO 8 -7.187 13.168 3.842 39 HB3 PRO 8 2HB PRO 8 -6.316 14.704 3.958 40 HG2 PRO 8 1HG PRO 8 -6.279 13.354 1.660 41 HG3 PRO 8 2HG PRO 8 -4.796 14.130 2.232 42 HD2 PRO 8 1HD PRO 8 -5.567 11.186 2.340 43 HD3 PRO 8 2HD PRO 8 -3.992 11.908 1.988 44 H PHE 9 H PHE 9 -5.089 13.776 7.237 45 HA PHE 9 HA PHE 9 -7.596 12.490 8.081 46 HB2 PHE 9 1HB PHE 9 -6.022 10.623 8.396 47 HB3 PHE 9 2HB PHE 9 -4.940 11.675 9.334 48 HD1 PHE 9 HD1 PHE 9 -8.289 10.100 9.298 49 HD2 PHE 9 HD2 PHE 9 -5.252 12.017 11.612 50 HE1 PHE 9 HE1 PHE 9 -9.473 9.464 11.374 51 HE2 PHE 9 HE2 PHE 9 -6.431 11.381 13.690 52 HZ PHE 9 HZ PHE 9 -8.543 10.105 13.570 53 H PHE 10 H PHE 10 -8.652 13.798 9.333 54 HA PHE 10 HA PHE 10 -7.433 16.295 10.181 55 HB2 PHE 10 1HB PHE 10 -10.158 15.032 10.690 56 HB3 PHE 10 2HB PHE 10 -9.693 16.639 11.291 57 HD1 PHE 10 HD2 PHE 10 -8.526 18.103 9.306 58 HD2 PHE 10 HD1 PHE 10 -11.469 15.040 8.852 59 HE1 PHE 10 HE2 PHE 10 -9.246 19.116 7.168 60 HE2 PHE 10 HE1 PHE 10 -12.190 16.047 6.713 61 HZ PHE 10 HZ PHE 10 -11.077 18.085 5.871 62 H GLU 11 H GLU 11 -5.727 15.800 11.519 63 HA GLU 11 HA GLU 11 -5.972 14.335 13.974 64 HB2 GLU 11 1HB GLU 11 -3.956 15.405 14.633 65 HB3 GLU 11 2HB GLU 11 -3.845 14.982 12.907 66 HG2 GLU 11 1HG GLU 11 -4.377 17.438 12.360 67 HG3 GLU 11 2HG GLU 11 -4.385 17.656 14.126 68 H MET 12 H MET 12 -7.087 17.477 13.037 69 HA MET 12 HA MET 12 -8.364 17.657 15.728 70 HB2 MET 12 1HB MET 12 -6.434 19.169 15.704 71 HB3 MET 12 2HB MET 12 -7.076 19.947 14.237 72 HG2 MET 12 1HG MET 12 -9.068 20.660 15.501 73 HG3 MET 12 2HG MET 12 -8.401 19.903 16.967 74 HE1 MET 12 3HE MET 12 -8.409 22.950 14.588 75 HE2 MET 12 1HE MET 12 -6.853 23.748 14.919 76 HE3 MET 12 2HE MET 12 -6.887 22.183 14.070 77 H LYS 13 H LYS 13 -10.410 17.327 15.344 78 HA LYS 13 HA LYS 13 -11.552 18.221 12.748 79 HB2 LYS 13 1HB LYS 13 -12.629 16.469 14.961 80 HB3 LYS 13 2HB LYS 13 -13.507 16.889 13.472 81 HG2 LYS 13 1HG LYS 13 -11.703 15.792 12.148 82 HG3 LYS 13 2HG LYS 13 -10.930 15.294 13.672 83 HD2 LYS 13 1HD LYS 13 -12.948 14.026 14.286 84 HD3 LYS 13 2HD LYS 13 -13.726 14.526 12.766 85 HE2 LYS 13 1HE LYS 13 -11.949 13.394 11.490 86 HE3 LYS 13 2HE LYS 13 -11.191 12.878 13.014 87 HZ1 LYS 13 3HZ LYS 13 -13.887 12.109 12.095 88 HZ2 LYS 13 1HZ LYS 13 -12.552 11.141 12.066 89 HZ3 LYS 13 2HZ LYS 13 -13.184 11.631 13.509 90 H LEU 14 H LEU 14 -13.946 18.874 12.915 91 HA LEU 14 HA LEU 14 -13.899 21.391 14.438 92 HB2 LEU 14 1HB LEU 14 -15.796 20.092 12.595 93 HB3 LEU 14 2HB LEU 14 -16.144 21.730 13.199 94 HG LEU 14 HG LEU 14 -13.765 20.918 11.483 95 HD11 LEU 14 1HD1 LEU 14 -14.878 22.317 9.722 96 HD12 LEU 14 2HD1 LEU 14 -15.915 20.959 10.219 97 HD13 LEU 14 3HD1 LEU 14 -16.241 22.599 10.829 98 HD21 LEU 14 3HD2 LEU 14 -13.203 22.707 13.020 99 HD22 LEU 14 1HD2 LEU 14 -13.298 23.341 11.360 100 HD23 LEU 14 2HD2 LEU 14 -14.630 23.638 12.505 101 H LYS 15 H LYS 15 -15.487 22.120 15.856 102 HA LYS 15 HA LYS 15 -16.839 19.897 17.341 103 HB2 LYS 15 1HB LYS 15 -16.109 22.695 18.219 104 HB3 LYS 15 2HB LYS 15 -16.929 21.467 19.212 105 HG2 LYS 15 1HG LYS 15 -14.928 20.020 19.046 106 HG3 LYS 15 2HG LYS 15 -14.108 21.286 18.101 107 HD2 LYS 15 1HD LYS 15 -14.269 22.833 19.985 108 HD3 LYS 15 2HD LYS 15 -15.159 21.616 20.931 109 HE2 LYS 15 1HE LYS 15 -13.205 20.115 20.818 110 HE3 LYS 15 2HE LYS 15 -12.315 21.356 19.903 111 HZ1 LYS 15 3HZ LYS 15 -13.335 21.656 22.656 112 HZ2 LYS 15 1HZ LYS 15 -11.759 21.401 22.240 113 HZ3 LYS 15 2HZ LYS 15 -12.510 22.807 21.809 114 H HIS 16 H HIS 16 -18.895 20.406 18.369 115 HA HIS 16 HA HIS 16 -20.654 21.869 16.484 116 HB2 HIS 16 1HB HIS 16 -21.357 19.622 17.305 117 HB3 HIS 16 2HB HIS 16 -21.347 20.245 18.972 118 HD1 HIS 16 HD1 HIS 16 -23.893 19.427 18.896 119 HD2 HIS 16 HD2 HIS 16 -23.022 22.840 16.583 120 HE1 HIS 16 HE1 HIS 16 -26.048 20.440 18.351 121 H TYR 17 H TYR 17 -20.864 23.951 16.677 122 HA TYR 17 HA TYR 17 -20.544 25.175 19.385 123 HB2 TYR 17 1HB TYR 17 -20.501 26.354 16.599 124 HB3 TYR 17 2HB TYR 17 -20.345 27.283 18.111 125 HD1 TYR 17 HD2 TYR 17 -18.297 27.154 19.443 126 HD2 TYR 17 HD1 TYR 17 -18.664 24.967 15.801 127 HE1 TYR 17 HE2 TYR 17 -15.858 26.762 19.446 128 HE2 TYR 17 HE1 TYR 17 -16.219 24.564 15.788 129 HH TYR 17 HH TYR 17 -14.092 25.812 18.365 130 H LYS 18 H LYS 18 -22.008 26.478 20.324 131 HA LYS 18 HA LYS 18 -24.689 26.632 18.976 132 HB2 LYS 18 1HB LYS 18 -23.963 26.656 21.912 133 HB3 LYS 18 2HB LYS 18 -25.595 26.911 21.249 134 HG2 LYS 18 1HG LYS 18 -25.500 24.623 20.259 135 HG3 LYS 18 2HG LYS 18 -23.929 24.379 21.058 136 HD2 LYS 18 1HD LYS 18 -24.987 24.734 23.252 137 HD3 LYS 18 2HD LYS 18 -26.559 24.979 22.454 138 HE2 LYS 18 1HE LYS 18 -26.356 22.679 21.492 139 HE3 LYS 18 2HE LYS 18 -24.882 22.452 22.460 140 HZ1 LYS 18 3HZ LYS 18 -27.572 23.002 23.538 141 HZ2 LYS 18 1HZ LYS 18 -26.814 21.538 23.555 142 HZ3 LYS 18 2HZ LYS 18 -26.204 22.792 24.437 143 H ILE 19 H ILE 19 -24.566 28.504 17.883 144 HA ILE 19 HA ILE 19 -23.485 30.889 19.367 145 HB ILE 19 HB ILE 19 -23.590 30.405 16.353 146 HG12 ILE 19 1HG1 ILE 19 -22.082 28.840 17.336 147 HG13 ILE 19 2HG1 ILE 19 -21.200 30.096 16.438 148 HG21 ILE 19 1HG2 ILE 19 -22.094 32.369 16.269 149 HG22 ILE 19 2HG2 ILE 19 -23.645 32.781 17.036 150 HG23 ILE 19 3HG2 ILE 19 -22.197 32.528 18.038 151 HD11 ILE 19 3HD1 ILE 19 -21.524 29.967 19.455 152 HD12 ILE 19 1HD1 ILE 19 -20.054 29.543 18.549 153 HD13 ILE 19 2HD1 ILE 19 -20.645 31.224 18.557 154 H PHE 20 H PHE 20 -24.512 32.739 19.476 155 HA PHE 20 HA PHE 20 -27.387 32.682 19.009 156 HB2 PHE 20 1HB PHE 20 -25.434 34.786 19.993 157 HB3 PHE 20 2HB PHE 20 -27.147 35.157 19.697 158 HD1 PHE 20 HD2 PHE 20 -28.872 33.663 20.883 159 HD2 PHE 20 HD1 PHE 20 -24.767 33.973 22.026 160 HE1 PHE 20 HE2 PHE 20 -29.443 32.852 23.147 161 HE2 PHE 20 HE1 PHE 20 -25.335 33.160 24.290 162 HZ PHE 20 HZ PHE 20 -27.673 32.599 24.851 163 H GLU 21 H GLU 21 -28.629 33.830 17.611 164 HA GLU 21 HA GLU 21 -27.701 34.108 14.944 165 HB2 GLU 21 1HB GLU 21 -30.062 33.909 15.650 166 HB3 GLU 21 2HB GLU 21 -29.981 35.571 16.283 167 HG2 GLU 21 1HG GLU 21 -29.509 36.382 13.902 168 HG3 GLU 21 2HG GLU 21 -29.633 34.665 13.457 169 H GLY 22 H GLY 22 -26.343 35.417 14.047 170 HA2 GLY 22 1HA GLY 22 -25.707 37.584 13.302 171 HA3 GLY 22 2HA GLY 22 -26.473 38.295 14.741 172 H MET 23 H MET 23 -24.965 35.849 16.114 173 HA MET 23 HA MET 23 -22.732 37.538 17.007 174 HB2 MET 23 1HB MET 23 -24.046 36.216 18.575 175 HB3 MET 23 2HB MET 23 -23.566 34.727 17.724 176 HG2 MET 23 1HG MET 23 -21.232 35.104 18.340 177 HG3 MET 23 2HG MET 23 -21.677 36.627 19.146 178 HE1 MET 23 3HE MET 23 -20.101 35.265 21.103 179 HE2 MET 23 1HE MET 23 -20.682 33.780 21.892 180 HE3 MET 23 2HE MET 23 -20.162 33.738 20.189 181 HA PRO 24 HA PRO 24 -19.725 35.778 14.294 182 HB2 PRO 24 1HB PRO 24 -17.494 36.828 15.528 183 HB3 PRO 24 2HB PRO 24 -18.568 37.865 14.579 184 HG2 PRO 24 1HG PRO 24 -18.468 37.464 17.589 185 HG3 PRO 24 2HG PRO 24 -18.589 38.973 16.673 186 HD2 PRO 24 1HD PRO 24 -20.805 37.801 17.779 187 HD3 PRO 24 2HD PRO 24 -20.908 38.692 16.257 188 H VAL 25 H VAL 25 -18.378 34.097 14.206 189 HA VAL 25 HA VAL 25 -17.436 32.816 16.715 190 HB VAL 25 HB VAL 25 -19.676 31.793 16.392 191 HG11 VAL 25 1HG1 VAL 25 -20.109 30.439 14.368 192 HG12 VAL 25 2HG1 VAL 25 -19.876 32.155 13.954 193 HG13 VAL 25 3HG1 VAL 25 -18.564 30.986 13.673 194 HG21 VAL 25 3HG2 VAL 25 -17.883 30.458 17.325 195 HG22 VAL 25 1HG2 VAL 25 -18.956 29.459 16.317 196 HG23 VAL 25 2HG2 VAL 25 -17.371 29.970 15.691 197 H THR 26 H THR 26 -15.560 31.915 16.560 198 HA THR 26 HA THR 26 -14.470 31.498 13.795 199 HB THR 26 HB THR 26 -12.953 32.089 16.371 200 HG1 THR 26 HG1 THR 26 -13.728 33.691 14.153 201 HG21 THR 26 1HG2 THR 26 -11.003 32.305 14.869 202 HG22 THR 26 2HG2 THR 26 -11.702 30.670 14.779 203 HG23 THR 26 3HG2 THR 26 -12.020 31.847 13.483 204 H PHE 27 H PHE 27 -13.888 29.577 13.170 205 HA PHE 27 HA PHE 27 -13.081 27.551 15.182 206 HB2 PHE 27 1HB PHE 27 -14.629 25.858 14.102 207 HB3 PHE 27 2HB PHE 27 -15.464 27.107 15.055 208 HD1 PHE 27 HD2 PHE 27 -16.700 28.897 13.940 209 HD2 PHE 27 HD1 PHE 27 -14.950 25.659 11.772 210 HE1 PHE 27 HE2 PHE 27 -18.132 29.427 11.996 211 HE2 PHE 27 HE1 PHE 27 -16.378 26.187 9.825 212 HZ PHE 27 HZ PHE 27 -17.969 28.071 9.937 213 H THR 28 H THR 28 -12.077 25.673 14.258 214 HA THR 28 HA THR 28 -10.901 26.098 11.575 215 HB THR 28 HB THR 28 -9.582 27.630 13.042 216 HG1 THR 28 HG1 THR 28 -7.544 26.656 12.475 217 HG21 THR 28 1HG2 THR 28 -8.143 26.650 14.794 218 HG22 THR 28 2HG2 THR 28 -9.865 26.403 15.168 219 HG23 THR 28 3HG2 THR 28 -8.894 25.060 14.522 220 H CYS 29 H CYS 29 -9.482 24.428 10.899 221 HA CYS 29 HA CYS 29 -9.713 21.848 12.465 222 HB2 CYS 29 1HB CYS 29 -11.602 22.305 10.807 223 HB3 CYS 29 2HB CYS 29 -10.370 22.268 9.523 224 HG CYS 29 HG CYS 29 -11.299 19.952 11.623 225 H ARG 30 H ARG 30 -8.025 20.458 12.148 226 HA ARG 30 HA ARG 30 -5.837 21.376 10.314 227 HB2 ARG 30 1HB ARG 30 -5.253 22.057 12.500 228 HB3 ARG 30 2HB ARG 30 -5.536 20.415 13.122 229 HG2 ARG 30 1HG ARG 30 -3.686 19.559 11.786 230 HG3 ARG 30 2HG ARG 30 -3.429 21.169 11.073 231 HD2 ARG 30 1HD ARG 30 -2.800 22.039 13.223 232 HD3 ARG 30 2HD ARG 30 -3.107 20.455 13.970 233 HE ARG 30 HE ARG 30 -1.031 20.047 12.024 234 HH11 ARG 30 1HH1 ARG 30 -1.452 21.928 14.929 235 HH12 ARG 30 2HH1 ARG 30 0.263 21.804 15.266 236 HH21 ARG 30 1HH2 ARG 30 0.937 19.902 12.392 237 HH22 ARG 30 2HH2 ARG 30 1.627 20.649 13.819 238 H VAL 31 H VAL 31 -4.827 19.912 9.129 239 HA VAL 31 HA VAL 31 -5.677 17.039 9.479 240 HB VAL 31 HB VAL 31 -6.851 18.049 7.541 241 HG11 VAL 31 1HG1 VAL 31 -5.533 18.843 5.604 242 HG12 VAL 31 2HG1 VAL 31 -5.224 19.844 7.042 243 HG13 VAL 31 3HG1 VAL 31 -4.033 18.623 6.535 244 HG21 VAL 31 3HG2 VAL 31 -6.214 15.714 7.459 245 HG22 VAL 31 1HG2 VAL 31 -6.105 16.455 5.845 246 HG23 VAL 31 2HG2 VAL 31 -4.624 16.150 6.785 247 H ALA 32 H ALA 32 -4.197 15.612 9.674 248 HA ALA 32 HA ALA 32 -1.386 16.433 9.312 249 HB1 ALA 32 3HB ALA 32 -2.600 13.836 10.321 250 HB2 ALA 32 1HB ALA 32 -0.869 14.250 10.333 251 HB3 ALA 32 2HB ALA 32 -2.012 15.180 11.328 252 H GLY 33 H GLY 33 -1.964 16.695 6.930 253 HA2 GLY 33 1HA GLY 33 -1.809 14.069 5.514 254 HA3 GLY 33 2HA GLY 33 -2.407 15.592 4.814 255 H ASN 34 H ASN 34 -0.396 13.858 3.689 256 HA ASN 34 HA ASN 34 1.621 15.943 3.213 257 HB2 ASN 34 3HB ASN 34 2.463 14.581 5.261 258 HB3 ASN 34 2HB ASN 34 2.496 13.148 4.261 259 HD21 ASN 34 2HD2 ASN 34 4.701 14.125 5.636 260 HD22 ASN 34 1HD2 ASN 34 5.912 14.587 4.326 261 HA PRO 35 HA PRO 35 2.443 16.767 1.876 262 HB2 PRO 35 1HB PRO 35 1.118 17.588 -0.699 263 HB3 PRO 35 2HB PRO 35 2.801 17.825 -0.205 264 HG2 PRO 35 1HG PRO 35 2.185 16.027 -2.105 265 HG3 PRO 35 2HG PRO 35 3.460 15.681 -0.930 266 HD2 PRO 35 1HD PRO 35 0.559 14.710 -0.919 267 HD3 PRO 35 2HD PRO 35 2.033 13.775 -0.647 268 H LYS 36 H LYS 36 1.396 18.890 2.073 269 HA LYS 36 HA LYS 36 -0.982 18.584 3.623 270 HB2 LYS 36 1HB LYS 36 0.506 20.904 2.452 271 HB3 LYS 36 2HB LYS 36 -1.093 21.152 3.194 272 HG2 LYS 36 1HG LYS 36 0.745 21.614 4.780 273 HG3 LYS 36 2HG LYS 36 -0.282 20.262 5.314 274 HD2 LYS 36 1HD LYS 36 1.418 18.715 4.212 275 HD3 LYS 36 2HD LYS 36 2.477 20.138 4.068 276 HE2 LYS 36 1HE LYS 36 3.065 18.920 6.070 277 HE3 LYS 36 2HE LYS 36 2.315 20.469 6.522 278 HZ1 LYS 36 3HZ LYS 36 0.956 17.850 6.495 279 HZ2 LYS 36 1HZ LYS 36 1.467 18.653 7.843 280 HZ3 LYS 36 2HZ LYS 36 0.261 19.286 6.912 281 HA PRO 37 HA PRO 37 -3.833 18.071 0.281 282 HB2 PRO 37 1HB PRO 37 -5.781 18.330 2.599 283 HB3 PRO 37 2HB PRO 37 -5.681 17.053 1.379 284 HG2 PRO 37 1HG PRO 37 -4.826 16.573 3.862 285 HG3 PRO 37 2HG PRO 37 -3.910 15.943 2.486 286 HD2 PRO 37 1HD PRO 37 -3.274 18.321 4.268 287 HD3 PRO 37 2HD PRO 37 -2.168 17.166 3.518 288 H LYS 38 H LYS 38 -5.398 19.227 -0.786 289 HA LYS 38 HA LYS 38 -5.294 22.126 -0.244 290 HB2 LYS 38 1HB LYS 38 -6.645 20.488 -2.389 291 HB3 LYS 38 2HB LYS 38 -6.670 22.265 -2.295 292 HG2 LYS 38 1HG LYS 38 -4.212 22.303 -2.522 293 HG3 LYS 38 2HG LYS 38 -4.202 20.527 -2.643 294 HD2 LYS 38 1HD LYS 38 -5.576 20.648 -4.676 295 HD3 LYS 38 2HD LYS 38 -5.614 22.424 -4.551 296 HE2 LYS 38 1HE LYS 38 -3.166 22.492 -4.781 297 HE3 LYS 38 2HE LYS 38 -3.130 20.719 -4.915 298 HZ1 LYS 38 3HZ LYS 38 -4.475 22.553 -6.794 299 HZ2 LYS 38 1HZ LYS 38 -3.048 21.775 -7.070 300 HZ3 LYS 38 2HZ LYS 38 -4.443 20.908 -6.918 301 H ILE 39 H ILE 39 -6.354 22.244 1.751 302 HA ILE 39 HA ILE 39 -8.884 21.042 2.314 303 HB ILE 39 HB ILE 39 -7.569 23.564 3.421 304 HG12 ILE 39 1HG1 ILE 39 -7.861 20.820 4.614 305 HG13 ILE 39 2HG1 ILE 39 -6.415 21.421 3.770 306 HG21 ILE 39 1HG2 ILE 39 -9.208 23.398 5.264 307 HG22 ILE 39 2HG2 ILE 39 -10.023 23.667 3.706 308 HG23 ILE 39 3HG2 ILE 39 -10.007 22.042 4.433 309 HD11 ILE 39 3HD1 ILE 39 -7.614 22.598 6.302 310 HD12 ILE 39 1HD1 ILE 39 -6.154 21.588 6.215 311 HD13 ILE 39 2HD1 ILE 39 -6.168 23.199 5.458 312 H TYR 40 H TYR 40 -10.798 21.290 1.601 313 HA TYR 40 HA TYR 40 -11.539 23.961 0.444 314 HB2 TYR 40 1HB TYR 40 -12.758 21.236 -0.050 315 HB3 TYR 40 2HB TYR 40 -13.268 22.774 -0.786 316 HD1 TYR 40 HD2 TYR 40 -11.395 24.052 -2.117 317 HD2 TYR 40 HD1 TYR 40 -11.247 19.889 -1.212 318 HE1 TYR 40 HE2 TYR 40 -9.780 23.721 -3.959 319 HE2 TYR 40 HE1 TYR 40 -9.627 19.538 -3.053 320 HH TYR 40 HH TYR 40 -8.434 20.502 -4.729 321 H TRP 41 H TRP 41 -13.349 24.994 1.054 322 HA TRP 41 HA TRP 41 -14.892 23.746 3.309 323 HB2 TRP 41 1HB TRP 41 -13.948 26.602 2.893 324 HB3 TRP 41 2HB TRP 41 -15.342 26.221 3.933 325 HD1 TRP 41 HD1 TRP 41 -11.663 25.803 3.654 326 HE1 TRP 41 HE1 TRP 41 -10.642 25.212 6.085 327 HE3 TRP 41 HE3 TRP 41 -16.042 25.176 6.156 328 HZ2 TRP 41 HZ2 TRP 41 -11.695 24.604 8.567 329 HZ3 TRP 41 HZ3 TRP 41 -16.028 24.602 8.505 330 HH2 TRP 41 HH2 TRP 41 -13.928 24.310 9.746 331 H PHE 42 H PHE 42 -16.981 23.505 3.083 332 HA PHE 42 HA PHE 42 -18.509 25.457 1.483 333 HB2 PHE 42 1HB PHE 42 -19.685 23.630 0.212 334 HB3 PHE 42 2HB PHE 42 -17.977 23.812 -0.248 335 HD1 PHE 42 HD2 PHE 42 -16.317 22.165 0.479 336 HD2 PHE 42 HD1 PHE 42 -20.497 21.649 1.194 337 HE1 PHE 42 HE2 PHE 42 -15.946 19.756 0.895 338 HE2 PHE 42 HE1 PHE 42 -20.130 19.240 1.613 339 HZ PHE 42 HZ PHE 42 -17.854 18.294 1.464 340 H LYS 43 H LYS 43 -20.605 25.675 2.060 341 HA LYS 43 HA LYS 43 -21.298 24.240 4.604 342 HB2 LYS 43 1HB LYS 43 -20.849 26.715 4.685 343 HB3 LYS 43 2HB LYS 43 -22.273 26.932 3.642 344 HG2 LYS 43 1HG LYS 43 -22.630 25.349 6.149 345 HG3 LYS 43 2HG LYS 43 -22.393 27.103 6.320 346 HD2 LYS 43 1HD LYS 43 -24.238 27.438 4.642 347 HD3 LYS 43 2HD LYS 43 -24.534 25.684 4.704 348 HE2 LYS 43 1HE LYS 43 -24.793 25.962 7.224 349 HE3 LYS 43 2HE LYS 43 -24.833 27.715 6.927 350 HZ1 LYS 43 3HZ LYS 43 -26.704 25.738 5.785 351 HZ2 LYS 43 1HZ LYS 43 -27.042 26.777 7.021 352 HZ3 LYS 43 2HZ LYS 43 -26.741 27.364 5.510 353 H ASP 44 H ASP 44 -22.720 22.716 4.350 354 HA ASP 44 HA ASP 44 -24.462 21.475 3.433 355 HB2 ASP 44 1HB ASP 44 -25.716 24.279 3.178 356 HB3 ASP 44 2HB ASP 44 -26.427 22.680 2.841 357 H GLY 45 H GLY 45 -22.295 22.296 1.677 358 HA2 GLY 45 1HA GLY 45 -22.002 21.455 -0.532 359 HA3 GLY 45 2HA GLY 45 -23.741 21.685 -0.842 360 H LYS 46 H LYS 46 -22.733 24.397 0.739 361 HA LYS 46 HA LYS 46 -22.544 25.901 -1.827 362 HB2 LYS 46 1HB LYS 46 -22.942 26.831 1.019 363 HB3 LYS 46 2HB LYS 46 -22.930 27.868 -0.427 364 HG2 LYS 46 1HG LYS 46 -24.937 26.769 -1.271 365 HG3 LYS 46 2HG LYS 46 -24.929 25.647 0.111 366 HD2 LYS 46 1HD LYS 46 -25.260 27.519 1.656 367 HD3 LYS 46 2HD LYS 46 -25.219 28.665 0.295 368 HE2 LYS 46 1HE LYS 46 -27.196 27.499 -0.680 369 HE3 LYS 46 2HE LYS 46 -27.269 26.482 0.778 370 HZ1 LYS 46 3HZ LYS 46 -27.541 29.420 0.720 371 HZ2 LYS 46 1HZ LYS 46 -28.777 28.346 0.917 372 HZ3 LYS 46 2HZ LYS 46 -27.609 28.477 2.073 373 H GLN 47 H GLN 47 -20.543 25.843 -2.583 374 HA GLN 47 HA GLN 47 -18.155 25.698 -1.097 375 HB2 GLN 47 1HB GLN 47 -18.386 25.423 -3.554 376 HB3 GLN 47 2HB GLN 47 -18.606 27.183 -3.693 377 HG2 GLN 47 1HG GLN 47 -16.081 27.384 -2.706 378 HG3 GLN 47 2HG GLN 47 -16.376 25.630 -2.717 379 HE21 GLN 47 2HE2 GLN 47 -14.174 26.631 -3.988 380 HE22 GLN 47 1HE2 GLN 47 -14.367 26.510 -5.705 381 H ILE 48 H ILE 48 -16.965 26.979 0.083 382 HA ILE 48 HA ILE 48 -17.913 29.806 0.417 383 HB ILE 48 HB ILE 48 -16.179 28.035 2.204 384 HG12 ILE 48 1HG1 ILE 48 -18.961 29.074 2.667 385 HG13 ILE 48 2HG1 ILE 48 -18.572 27.444 2.066 386 HG21 ILE 48 1HG2 ILE 48 -16.363 29.885 3.833 387 HG22 ILE 48 2HG2 ILE 48 -15.553 30.422 2.343 388 HG23 ILE 48 3HG2 ILE 48 -17.255 30.852 2.636 389 HD11 ILE 48 3HD1 ILE 48 -17.722 28.605 4.743 390 HD12 ILE 48 1HD1 ILE 48 -19.020 27.417 4.489 391 HD13 ILE 48 2HD1 ILE 48 -17.331 26.976 4.143 392 H SER 49 H SER 49 -16.901 31.392 -0.421 393 HA SER 49 HA SER 49 -14.103 31.111 -1.414 394 HB2 SER 49 1HB SER 49 -15.604 32.111 -2.840 395 HB3 SER 49 2HB SER 49 -16.080 33.298 -1.605 396 HG SER 49 HG SER 49 -13.904 34.030 -1.622 397 HA PRO 50 HA PRO 50 -12.327 32.762 2.354 398 HB2 PRO 50 1HB PRO 50 -10.197 33.622 0.357 399 HB3 PRO 50 2HB PRO 50 -9.993 32.719 1.864 400 HG2 PRO 50 1HG PRO 50 -9.806 31.436 -0.466 401 HG3 PRO 50 2HG PRO 50 -10.651 30.665 0.884 402 HD2 PRO 50 1HD PRO 50 -11.834 32.054 -1.557 403 HD3 PRO 50 2HD PRO 50 -12.374 30.576 -0.751 404 H LYS 51 H LYS 51 -12.433 34.604 3.349 405 HA LYS 51 HA LYS 51 -12.906 36.854 3.698 406 HB2 LYS 51 1HB LYS 51 -11.456 37.117 1.057 407 HB3 LYS 51 2HB LYS 51 -11.847 38.452 2.167 408 HG2 LYS 51 1HG LYS 51 -10.413 37.434 3.894 409 HG3 LYS 51 2HG LYS 51 -10.016 36.106 2.778 410 HD2 LYS 51 1HD LYS 51 -9.020 37.723 1.209 411 HD3 LYS 51 2HD LYS 51 -9.414 39.049 2.328 412 HE2 LYS 51 1HE LYS 51 -7.960 38.091 4.029 413 HE3 LYS 51 2HE LYS 51 -7.620 36.694 2.984 414 HZ1 LYS 51 3HZ LYS 51 -6.899 39.492 2.392 415 HZ2 LYS 51 1HZ LYS 51 -5.854 38.319 2.898 416 HZ3 LYS 51 2HZ LYS 51 -6.582 38.196 1.422 417 H SER 52 H SER 52 -15.083 35.611 2.958 418 HA SER 52 HA SER 52 -16.362 37.036 0.650 419 HB2 SER 52 1HB SER 52 -16.591 34.654 0.945 420 HB3 SER 52 2HB SER 52 -17.526 34.982 2.423 421 HG SER 52 HG SER 52 -18.873 34.777 0.605 422 H ASP 53 H ASP 53 -18.940 37.082 1.609 423 HA ASP 53 HA ASP 53 -19.077 39.655 2.806 424 HB2 ASP 53 1HB ASP 53 -21.216 37.443 2.657 425 HB3 ASP 53 2HB ASP 53 -21.345 39.096 3.308 426 H HIS 54 H HIS 54 -19.392 36.435 4.287 427 HA HIS 54 HA HIS 54 -18.813 37.718 6.920 428 HB2 HIS 54 1HB HIS 54 -21.057 35.718 6.391 429 HB3 HIS 54 2HB HIS 54 -20.523 36.266 7.998 430 HD2 HIS 54 HD2 HIS 54 -23.080 37.328 5.257 431 HE1 HIS 54 HE1 HIS 54 -22.578 40.550 7.981 432 HE2 HIS 54 HE2 HIS 54 -23.980 39.541 5.999 433 H TYR 55 H TYR 55 -17.961 35.513 4.633 434 HA TYR 55 HA TYR 55 -16.985 33.520 6.650 435 HB2 TYR 55 1HB TYR 55 -17.576 33.271 3.697 436 HB3 TYR 55 2HB TYR 55 -16.773 32.016 4.676 437 HD1 TYR 55 HD1 TYR 55 -18.675 32.895 7.137 438 HD2 TYR 55 HD2 TYR 55 -19.324 31.545 3.145 439 HE1 TYR 55 HE1 TYR 55 -20.884 32.001 7.806 440 HE2 TYR 55 HE2 TYR 55 -21.532 30.643 3.795 441 HH TYR 55 HH TYR 55 -23.197 31.460 6.436 442 H THR 56 H THR 56 -15.096 34.400 7.281 443 HA THR 56 HA THR 56 -13.093 35.006 5.153 444 HB THR 56 HB THR 56 -13.016 35.533 8.154 445 HG1 THR 56 HG1 THR 56 -13.247 37.731 7.425 446 HG21 THR 56 1HG2 THR 56 -11.015 36.879 7.625 447 HG22 THR 56 2HG2 THR 56 -10.775 35.173 7.180 448 HG23 THR 56 3HG2 THR 56 -11.128 36.380 5.921 449 H ILE 57 H ILE 57 -11.603 33.642 4.602 450 HA ILE 57 HA ILE 57 -11.048 31.333 6.450 451 HB ILE 57 HB ILE 57 -10.841 31.534 3.407 452 HG12 ILE 57 1HG1 ILE 57 -12.647 29.855 5.126 453 HG13 ILE 57 2HG1 ILE 57 -13.113 31.359 4.298 454 HG21 ILE 57 1HG2 ILE 57 -10.221 29.144 3.508 455 HG22 ILE 57 2HG2 ILE 57 -9.038 30.150 4.377 456 HG23 ILE 57 3HG2 ILE 57 -10.248 29.212 5.286 457 HD11 ILE 57 3HD1 ILE 57 -12.158 28.808 2.950 458 HD12 ILE 57 1HD1 ILE 57 -13.840 29.380 3.023 459 HD13 ILE 57 2HD1 ILE 57 -12.623 30.313 2.121 460 H GLN 58 H GLN 58 -9.245 31.311 7.452 461 HA GLN 58 HA GLN 58 -6.862 32.504 6.083 462 HB2 GLN 58 1HB GLN 58 -7.287 31.679 8.962 463 HB3 GLN 58 2HB GLN 58 -5.789 32.358 8.283 464 HG2 GLN 58 1HG GLN 58 -8.445 34.017 8.598 465 HG3 GLN 58 2HG GLN 58 -6.921 33.838 9.500 466 HE21 GLN 58 2HE2 GLN 58 -8.551 35.607 7.172 467 HE22 GLN 58 1HE2 GLN 58 -7.197 36.382 6.416 468 H ARG 59 H ARG 59 -5.079 31.362 5.630 469 HA ARG 59 HA ARG 59 -5.402 28.385 5.880 470 HB2 ARG 59 1HB ARG 59 -4.574 30.008 3.524 471 HB3 ARG 59 2HB ARG 59 -4.161 28.288 3.717 472 HG2 ARG 59 1HG ARG 59 -6.529 27.704 3.811 473 HG3 ARG 59 2HG ARG 59 -6.974 29.424 3.694 474 HD2 ARG 59 1HD ARG 59 -5.981 29.514 1.481 475 HD3 ARG 59 2HD ARG 59 -5.581 27.785 1.601 476 HE ARG 59 HE ARG 59 -8.298 28.825 0.984 477 HH11 ARG 59 1HH1 ARG 59 -6.430 26.073 2.031 478 HH12 ARG 59 2HH1 ARG 59 -7.745 25.003 1.586 479 HH21 ARG 59 1HH2 ARG 59 -9.809 27.613 0.462 480 HH22 ARG 59 2HH2 ARG 59 -9.673 25.880 0.690 481 H ASP 60 H ASP 60 -4.060 27.924 7.504 482 HA ASP 60 HA ASP 60 -1.258 28.854 7.408 483 HB2 ASP 60 1HB ASP 60 -2.499 28.412 9.636 484 HB3 ASP 60 2HB ASP 60 -2.559 26.746 9.009 485 H LEU 61 H LEU 61 0.309 27.971 6.322 486 HA LEU 61 HA LEU 61 -0.353 25.799 4.512 487 HB2 LEU 61 1HB LEU 61 2.130 27.225 5.211 488 HB3 LEU 61 2HB LEU 61 2.121 26.105 3.829 489 HG LEU 61 HG LEU 61 0.531 28.686 4.097 490 HD11 LEU 61 1HD1 LEU 61 1.943 29.432 2.161 491 HD12 LEU 61 2HD1 LEU 61 2.946 29.022 3.572 492 HD13 LEU 61 3HD1 LEU 61 2.809 27.879 2.215 493 HD21 LEU 61 3HD2 LEU 61 -0.761 26.998 2.932 494 HD22 LEU 61 1HD2 LEU 61 -0.220 28.247 1.785 495 HD23 LEU 61 2HD2 LEU 61 0.602 26.668 1.837 496 H ASP 62 H ASP 62 0.655 25.813 7.706 497 HA ASP 62 HA ASP 62 2.300 23.423 7.669 498 HB2 ASP 62 1HB ASP 62 0.707 24.771 9.933 499 HB3 ASP 62 2HB ASP 62 1.661 23.266 9.979 500 H GLY 63 H GLY 63 -1.039 23.982 7.242 501 HA2 GLY 63 1HA GLY 63 -2.181 21.979 6.264 502 HA3 GLY 63 2HA GLY 63 -1.535 21.055 7.639 503 H THR 64 H THR 64 -2.593 24.329 8.140 504 HA THR 64 HA THR 64 -5.139 23.326 9.369 505 HB THR 64 HB THR 64 -3.316 25.497 10.488 506 HG1 THR 64 HG1 THR 64 -3.012 23.927 12.177 507 HG21 THR 64 1HG2 THR 64 -4.863 25.433 12.412 508 HG22 THR 64 2HG2 THR 64 -5.721 25.875 10.915 509 HG23 THR 64 3HG2 THR 64 -5.862 24.226 11.569 510 H CYS 65 H CYS 65 -6.941 24.438 9.049 511 HA CYS 65 HA CYS 65 -6.756 27.124 7.658 512 HB2 CYS 65 1HB CYS 65 -7.085 25.123 6.141 513 HB3 CYS 65 2HB CYS 65 -8.589 24.773 7.026 514 HG CYS 65 HG CYS 65 -7.833 27.550 5.483 515 H SER 66 H SER 66 -8.099 28.615 8.487 516 HA SER 66 HA SER 66 -10.079 27.748 10.618 517 HB2 SER 66 1HB SER 66 -8.257 28.779 11.591 518 HB3 SER 66 2HB SER 66 -8.385 30.166 10.485 519 HG SER 66 HG SER 66 -9.393 30.545 12.506 520 H LEU 67 H LEU 67 -12.139 28.259 10.252 521 HA LEU 67 HA LEU 67 -12.745 30.418 8.264 522 HB2 LEU 67 1HB LEU 67 -13.485 28.393 7.558 523 HB3 LEU 67 2HB LEU 67 -14.325 27.917 9.052 524 HG LEU 67 HG LEU 67 -15.884 29.858 8.704 525 HD11 LEU 67 1HD1 LEU 67 -15.981 30.849 6.401 526 HD12 LEU 67 2HD1 LEU 67 -14.418 31.183 7.183 527 HD13 LEU 67 3HD1 LEU 67 -14.543 29.904 5.951 528 HD21 LEU 67 3HD2 LEU 67 -16.548 27.601 8.121 529 HD22 LEU 67 1HD2 LEU 67 -17.223 28.753 6.946 530 HD23 LEU 67 2HD2 LEU 67 -15.805 27.766 6.512 531 H HIS 68 H HIS 68 -13.303 32.258 9.081 532 HA HIS 68 HA HIS 68 -14.751 32.282 11.697 533 HB2 HIS 68 1HB HIS 68 -12.787 33.719 11.703 534 HB3 HIS 68 2HB HIS 68 -13.283 34.479 10.173 535 HD2 HIS 68 HD2 HIS 68 -14.636 36.904 10.581 536 HE1 HIS 68 HE1 HIS 68 -15.788 36.074 14.585 537 HE2 HIS 68 HE2 HIS 68 -15.769 37.816 12.616 538 H THR 69 H THR 69 -16.831 32.559 11.779 539 HA THR 69 HA THR 69 -18.205 33.860 9.463 540 HB THR 69 HB THR 69 -19.348 32.348 11.850 541 HG1 THR 69 HG1 THR 69 -19.886 30.845 10.084 542 HG21 THR 69 1HG2 THR 69 -21.477 32.474 10.604 543 HG22 THR 69 2HG2 THR 69 -20.869 34.100 10.999 544 HG23 THR 69 3HG2 THR 69 -20.684 33.457 9.350 545 H THR 70 H THR 70 -18.533 35.923 9.518 546 HA THR 70 HA THR 70 -18.046 37.490 11.893 547 HB THR 70 HB THR 70 -19.401 38.250 9.269 548 HG1 THR 70 HG1 THR 70 -17.290 39.139 8.856 549 HG21 THR 70 1HG2 THR 70 -18.880 40.571 9.935 550 HG22 THR 70 2HG2 THR 70 -19.975 39.799 11.107 551 HG23 THR 70 3HG2 THR 70 -18.247 39.984 11.491 552 H ALA 71 H ALA 71 -21.002 36.359 10.306 553 HA ALA 71 HA ALA 71 -22.489 37.104 12.764 554 HB1 ALA 71 3HB ALA 71 -23.327 37.922 9.963 555 HB2 ALA 71 1HB ALA 71 -24.303 38.115 11.437 556 HB3 ALA 71 2HB ALA 71 -22.781 39.013 11.252 557 H SER 72 H SER 72 -22.636 34.945 13.280 558 HA SER 72 HA SER 72 -23.574 32.899 11.383 559 HB2 SER 72 1HB SER 72 -22.022 32.470 13.154 560 HB3 SER 72 2HB SER 72 -23.335 32.738 14.324 561 HG SER 72 HG SER 72 -23.093 30.534 13.753 562 H THR 73 H THR 73 -25.582 34.070 10.700 563 HA THR 73 HA THR 73 -27.739 34.232 12.711 564 HB THR 73 HB THR 73 -29.115 35.082 10.890 565 HG1 THR 73 HG1 THR 73 -26.904 34.302 9.258 566 HG21 THR 73 1HG2 THR 73 -27.791 37.059 10.225 567 HG22 THR 73 2HG2 THR 73 -27.548 36.674 11.948 568 HG23 THR 73 3HG2 THR 73 -26.302 36.239 10.752 569 H LEU 74 H LEU 74 -29.959 33.429 11.761 570 HA LEU 74 HA LEU 74 -29.834 30.586 12.122 571 HB2 LEU 74 1HB LEU 74 -31.874 32.441 11.099 572 HB3 LEU 74 2HB LEU 74 -32.326 30.747 11.400 573 HG LEU 74 HG LEU 74 -31.359 32.748 13.480 574 HD11 LEU 74 1HD1 LEU 74 -33.693 32.555 14.379 575 HD12 LEU 74 2HD1 LEU 74 -33.692 33.175 12.711 576 HD13 LEU 74 3HD1 LEU 74 -34.108 31.474 13.029 577 HD21 LEU 74 3HD2 LEU 74 -30.621 30.496 13.990 578 HD22 LEU 74 1HD2 LEU 74 -31.901 30.986 15.124 579 HD23 LEU 74 2HD2 LEU 74 -32.276 29.875 13.784 580 H ASP 75 H ASP 75 -29.771 32.589 9.267 581 HA ASP 75 HA ASP 75 -30.236 30.367 7.420 582 HB2 ASP 75 1HB ASP 75 -29.115 33.194 6.961 583 HB3 ASP 75 2HB ASP 75 -29.322 31.859 5.801 584 H ASP 76 H ASP 76 -27.562 31.514 9.251 585 HA ASP 76 HA ASP 76 -25.605 30.124 7.499 586 HB2 ASP 76 1HB ASP 76 -25.133 31.698 10.102 587 HB3 ASP 76 2HB ASP 76 -24.000 30.875 9.000 588 H ASP 77 H ASP 77 -27.659 29.397 10.083 589 HA ASP 77 HA ASP 77 -26.128 27.308 11.338 590 HB2 ASP 77 1HB ASP 77 -28.378 28.245 12.207 591 HB3 ASP 77 2HB ASP 77 -29.018 27.436 10.757 592 H GLY 78 H GLY 78 -25.500 25.400 10.723 593 HA2 GLY 78 1HA GLY 78 -26.699 23.468 9.230 594 HA3 GLY 78 2HA GLY 78 -26.086 24.564 7.970 595 H ASN 79 H ASN 79 -24.722 22.822 7.249 596 HA ASN 79 HA ASN 79 -22.610 21.965 9.194 597 HB2 ASN 79 1HB ASN 79 -23.354 20.385 6.628 598 HB3 ASN 79 2HB ASN 79 -22.237 20.250 8.009 599 HD21 ASN 79 2HD2 ASN 79 -25.325 19.580 6.799 600 HD22 ASN 79 1HD2 ASN 79 -26.031 18.946 8.249 601 H TYR 80 H TYR 80 -20.937 23.269 9.060 602 HA TYR 80 HA TYR 80 -19.921 24.209 6.465 603 HB2 TYR 80 1HB TYR 80 -18.786 24.320 9.265 604 HB3 TYR 80 2HB TYR 80 -18.048 25.069 7.828 605 HD1 TYR 80 HD1 TYR 80 -20.953 25.192 10.133 606 HD2 TYR 80 HD2 TYR 80 -18.883 27.138 6.955 607 HE1 TYR 80 HE1 TYR 80 -22.326 27.224 10.491 608 HE2 TYR 80 HE2 TYR 80 -20.243 29.174 7.298 609 HH TYR 80 HH TYR 80 -23.051 29.250 9.281 610 H THR 81 H THR 81 -19.846 21.997 5.572 611 HA THR 81 HA THR 81 -18.056 20.042 6.742 612 HB THR 81 HB THR 81 -19.153 20.198 3.905 613 HG1 THR 81 HG1 THR 81 -20.725 18.726 4.785 614 HG21 THR 81 1HG2 THR 81 -18.724 17.765 3.882 615 HG22 THR 81 2HG2 THR 81 -17.219 18.679 4.144 616 HG23 THR 81 3HG2 THR 81 -18.020 17.874 5.513 617 H ILE 82 H ILE 82 -15.980 19.749 6.592 618 HA ILE 82 HA ILE 82 -14.480 21.293 4.488 619 HB ILE 82 HB ILE 82 -13.770 22.076 6.663 620 HG12 ILE 82 1HG1 ILE 82 -11.840 19.987 5.683 621 HG13 ILE 82 2HG1 ILE 82 -12.036 21.630 5.030 622 HG21 ILE 82 1HG2 ILE 82 -13.023 20.525 8.436 623 HG22 ILE 82 2HG2 ILE 82 -14.726 20.239 8.012 624 HG23 ILE 82 3HG2 ILE 82 -13.465 19.139 7.411 625 HD11 ILE 82 3HD1 ILE 82 -11.141 20.932 7.848 626 HD12 ILE 82 1HD1 ILE 82 -10.087 21.495 6.531 627 HD13 ILE 82 2HD1 ILE 82 -11.336 22.575 7.195 628 H MET 83 H MET 83 -13.080 20.372 3.191 629 HA MET 83 HA MET 83 -12.667 17.420 3.502 630 HB2 MET 83 1HB MET 83 -14.419 17.804 1.862 631 HB3 MET 83 2HB MET 83 -13.364 18.935 0.983 632 HG2 MET 83 1HG MET 83 -11.833 17.136 0.428 633 HG3 MET 83 2HG MET 83 -12.785 15.988 1.399 634 HE1 MET 83 3HE MET 83 -12.411 17.913 -1.949 635 HE2 MET 83 1HE MET 83 -14.035 17.801 -2.671 636 HE3 MET 83 2HE MET 83 -13.770 18.811 -1.229 637 H ALA 84 H ALA 84 -10.651 16.886 3.598 638 HA ALA 84 HA ALA 84 -8.647 18.757 2.412 639 HB1 ALA 84 3HB ALA 84 -8.319 16.645 4.574 640 HB2 ALA 84 1HB ALA 84 -7.032 17.708 3.952 641 HB3 ALA 84 2HB ALA 84 -8.414 18.404 4.829 642 H ALA 85 H ALA 85 -8.534 18.105 0.329 643 HA ALA 85 HA ALA 85 -8.106 15.194 -0.162 644 HB1 ALA 85 3HB ALA 85 -8.945 17.408 -2.063 645 HB2 ALA 85 1HB ALA 85 -8.755 15.692 -2.486 646 HB3 ALA 85 2HB ALA 85 -10.017 16.190 -1.335 647 H ASN 86 H ASN 86 -6.233 14.423 -0.798 648 HA ASN 86 HA ASN 86 -4.442 16.174 -2.409 649 HB2 ASN 86 1HB ASN 86 -2.507 15.960 -0.904 650 HB3 ASN 86 2HB ASN 86 -4.059 16.102 -0.044 651 HD21 ASN 86 2HD2 ASN 86 -1.853 15.156 1.234 652 HD22 ASN 86 1HD2 ASN 86 -2.043 13.467 1.568 653 HA PRO 87 HA PRO 87 -3.458 12.866 -4.952 654 HB2 PRO 87 1HB PRO 87 -0.612 12.663 -3.881 655 HB3 PRO 87 2HB PRO 87 -1.149 12.877 -5.553 656 HG2 PRO 87 1HG PRO 87 -0.138 14.959 -4.239 657 HG3 PRO 87 2HG PRO 87 -1.554 15.196 -5.271 658 HD2 PRO 87 1HD PRO 87 -1.421 14.998 -2.236 659 HD3 PRO 87 2HD PRO 87 -2.429 16.053 -3.236 660 H GLN 88 H GLN 88 -2.733 12.419 -1.589 661 HA GLN 88 HA GLN 88 -2.296 9.507 -1.991 662 HB2 GLN 88 1HB GLN 88 -2.177 11.208 0.509 663 HB3 GLN 88 2HB GLN 88 -1.698 9.499 0.369 664 HG2 GLN 88 1HG GLN 88 -0.078 11.890 -0.863 665 HG3 GLN 88 2HG GLN 88 0.087 10.734 0.478 666 HE21 GLN 88 2HE2 GLN 88 0.969 11.410 -2.660 667 HE22 GLN 88 1HE2 GLN 88 1.424 9.818 -3.175 668 H GLY 89 H GLY 89 -4.880 11.526 -1.575 669 HA2 GLY 89 1HA GLY 89 -6.949 9.869 -1.473 670 HA3 GLY 89 2HA GLY 89 -6.367 9.667 0.196 671 H ARG 90 H ARG 90 -8.527 10.490 0.749 672 HA ARG 90 HA ARG 90 -8.392 13.405 1.188 673 HB2 ARG 90 1HB ARG 90 -10.495 13.944 0.353 674 HB3 ARG 90 2HB ARG 90 -9.464 13.293 -0.943 675 HG2 ARG 90 1HG ARG 90 -10.647 11.139 -0.795 676 HG3 ARG 90 2HG ARG 90 -11.687 11.803 0.488 677 HD2 ARG 90 1HD ARG 90 -12.522 13.462 -1.099 678 HD3 ARG 90 2HD ARG 90 -11.541 12.699 -2.372 679 HE ARG 90 HE ARG 90 -13.384 10.713 -1.310 680 HH11 ARG 90 1HH1 ARG 90 -13.440 13.636 -3.211 681 HH12 ARG 90 2HH1 ARG 90 -14.867 13.067 -4.056 682 HH21 ARG 90 1HH2 ARG 90 -15.022 10.051 -2.263 683 HH22 ARG 90 2HH2 ARG 90 -15.771 11.023 -3.515 684 H VAL 91 H VAL 91 -9.905 14.186 2.733 685 HA VAL 91 HA VAL 91 -11.474 12.164 4.255 686 HB VAL 91 HB VAL 91 -9.225 12.144 5.350 687 HG11 VAL 91 1HG1 VAL 91 -8.463 14.185 6.520 688 HG12 VAL 91 2HG1 VAL 91 -8.535 14.444 4.762 689 HG13 VAL 91 3HG1 VAL 91 -9.816 15.096 5.811 690 HG21 VAL 91 3HG2 VAL 91 -11.222 11.722 6.655 691 HG22 VAL 91 1HG2 VAL 91 -10.015 12.611 7.614 692 HG23 VAL 91 2HG2 VAL 91 -11.425 13.467 6.944 693 H SER 92 H SER 92 -13.226 12.892 5.203 694 HA SER 92 HA SER 92 -13.839 15.839 4.809 695 HB2 SER 92 1HB SER 92 -14.851 14.680 3.107 696 HB3 SER 92 2HB SER 92 -15.548 13.498 4.237 697 HG SER 92 HG SER 92 -17.023 15.151 3.660 698 H CYS 93 H CYS 93 -14.776 16.860 6.486 699 HA CYS 93 HA CYS 93 -15.896 15.238 8.787 700 HB2 CYS 93 1HB CYS 93 -13.583 15.959 9.224 701 HB3 CYS 93 2HB CYS 93 -14.000 17.629 8.769 702 HG CYS 93 HG CYS 93 -15.708 17.992 10.645 703 H THR 94 H THR 94 -17.813 15.959 9.498 704 HA THR 94 HA THR 94 -19.070 18.201 8.038 705 HB THR 94 HB THR 94 -20.199 16.328 10.160 706 HG1 THR 94 HG1 THR 94 -21.187 15.355 8.292 707 HG21 THR 94 1HG2 THR 94 -22.388 17.138 9.352 708 HG22 THR 94 2HG2 THR 94 -21.410 18.476 10.002 709 HG23 THR 94 3HG2 THR 94 -21.563 18.259 8.243 710 H GLY 95 H GLY 95 -18.986 20.196 8.654 711 HA2 GLY 95 1HA GLY 95 -18.196 20.814 11.435 712 HA3 GLY 95 2HA GLY 95 -18.259 21.950 10.066 713 H ARG 96 H ARG 96 -20.544 19.793 11.806 714 HA ARG 96 HA ARG 96 -22.851 21.406 11.304 715 HB2 ARG 96 1HB ARG 96 -22.770 19.016 12.015 716 HB3 ARG 96 2HB ARG 96 -22.533 19.631 13.667 717 HG2 ARG 96 1HG ARG 96 -24.846 20.579 11.987 718 HG3 ARG 96 2HG ARG 96 -24.935 19.030 12.861 719 HD2 ARG 96 1HD ARG 96 -24.459 20.230 14.941 720 HD3 ARG 96 2HD ARG 96 -24.507 21.760 14.032 721 HE ARG 96 HE ARG 96 -26.927 20.220 14.830 722 HH11 ARG 96 1HH1 ARG 96 -25.640 22.741 12.794 723 HH12 ARG 96 2HH1 ARG 96 -27.252 23.387 12.563 724 HH21 ARG 96 1HH2 ARG 96 -28.780 20.952 14.582 725 HH22 ARG 96 2HH2 ARG 96 -29.045 22.367 13.583 726 H LEU 97 H LEU 97 -22.995 23.461 11.788 727 HA LEU 97 HA LEU 97 -22.502 24.195 14.653 728 HB2 LEU 97 1HB LEU 97 -21.877 25.399 12.123 729 HB3 LEU 97 2HB LEU 97 -22.467 26.613 13.281 730 HG LEU 97 HG LEU 97 -20.637 25.345 14.821 731 HD11 LEU 97 1HD1 LEU 97 -18.580 24.970 13.433 732 HD12 LEU 97 2HD1 LEU 97 -19.895 23.873 12.950 733 HD13 LEU 97 3HD1 LEU 97 -19.528 25.309 11.966 734 HD21 LEU 97 3HD2 LEU 97 -20.814 27.742 14.508 735 HD22 LEU 97 1HD2 LEU 97 -19.118 27.233 14.338 736 HD23 LEU 97 2HD2 LEU 97 -20.083 27.615 12.891 737 H MET 98 H MET 98 -24.092 25.008 15.799 738 HA MET 98 HA MET 98 -26.712 25.325 14.369 739 HB2 MET 98 1HB MET 98 -26.522 23.428 15.937 740 HB3 MET 98 2HB MET 98 -26.137 24.578 17.241 741 HG2 MET 98 1HG MET 98 -28.677 24.905 15.674 742 HG3 MET 98 2HG MET 98 -28.586 23.653 16.935 743 HE1 MET 98 3HE MET 98 -27.351 24.453 19.408 744 HE2 MET 98 1HE MET 98 -28.527 25.510 20.227 745 HE3 MET 98 2HE MET 98 -29.089 24.072 19.339 746 H VAL 99 H VAL 99 -27.990 27.031 14.685 747 HA VAL 99 HA VAL 99 -26.832 29.276 16.336 748 HB VAL 99 HB VAL 99 -28.431 29.432 13.749 749 HG11 VAL 99 1HG1 VAL 99 -27.996 31.859 13.923 750 HG12 VAL 99 2HG1 VAL 99 -28.927 31.273 15.322 751 HG13 VAL 99 3HG1 VAL 99 -27.184 31.602 15.485 752 HG21 VAL 99 3HG2 VAL 99 -26.159 28.701 13.339 753 HG22 VAL 99 1HG2 VAL 99 -26.396 30.372 12.776 754 HG23 VAL 99 2HG2 VAL 99 -25.527 30.061 14.298 755 H GLN 100 H GLN 100 -27.961 30.148 17.844 756 HA GLN 100 HA GLN 100 -30.861 29.404 18.000 757 HB2 GLN 100 1HB GLN 100 -29.409 28.663 19.861 758 HB3 GLN 100 2HB GLN 100 -28.972 30.362 20.158 759 HG2 GLN 100 1HG GLN 100 -31.583 30.751 20.756 760 HG3 GLN 100 2HG GLN 100 -31.541 29.043 20.259 761 HE21 GLN 100 2HE2 GLN 100 -32.587 29.855 22.712 762 HE22 GLN 100 1HE2 GLN 100 -31.559 29.284 23.983 763 H ALA 101 H ALA 101 -32.369 30.855 17.803 764 HA ALA 101 HA ALA 101 -31.822 33.546 17.068 765 HB1 ALA 101 3HB ALA 101 -34.354 32.359 18.254 766 HB2 ALA 101 1HB ALA 101 -34.230 33.924 17.419 767 HB3 ALA 101 2HB ALA 101 -33.931 32.412 16.527 768 H VAL 102 H VAL 102 -31.355 35.321 18.124 769 HA VAL 102 HA VAL 102 -31.357 35.209 21.128 770 HB VAL 102 HB VAL 102 -29.173 35.705 20.086 771 HG11 VAL 102 1HG1 VAL 102 -28.873 37.796 18.801 772 HG12 VAL 102 2HG1 VAL 102 -30.002 36.694 17.978 773 HG13 VAL 102 3HG1 VAL 102 -30.625 38.096 18.881 774 HG21 VAL 102 3HG2 VAL 102 -29.699 36.692 22.235 775 HG22 VAL 102 1HG2 VAL 102 -28.698 37.794 21.262 776 HG23 VAL 102 2HG2 VAL 102 -30.444 38.093 21.430 777 H ASN 103 H ASN 103 -33.335 35.717 21.762 778 HA ASN 103 HA ASN 103 -34.792 37.947 20.548 779 HB2 ASN 103 1HB ASN 103 -35.581 36.313 23.075 780 HB3 ASN 103 2HB ASN 103 -36.229 37.732 22.217 781 HD21 ASN 103 2HD2 ASN 103 -37.272 34.982 22.693 782 HD22 ASN 103 1HD2 ASN 103 -37.696 34.387 21.122 783 H GLN 104 H GLN 104 -32.258 37.762 22.726 784 HA GLN 104 HA GLN 104 -33.087 40.099 24.330 785 HB2 GLN 104 1HB GLN 104 -30.464 38.598 24.156 786 HB3 GLN 104 2HB GLN 104 -30.864 39.873 25.332 787 HG2 GLN 104 1HG GLN 104 -32.130 36.998 25.361 788 HG3 GLN 104 2HG GLN 104 -30.939 37.921 26.305 789 HE21 GLN 104 2HE2 GLN 104 -34.103 36.919 26.171 790 HE22 GLN 104 1HE2 GLN 104 -34.825 38.107 27.206 791 H ARG 105 H ARG 105 -31.873 39.638 21.268 792 HA ARG 105 HA ARG 105 -30.048 41.899 21.142 793 HB2 ARG 105 1HB ARG 105 -29.940 40.079 19.579 794 HB3 ARG 105 2HB ARG 105 -31.533 40.544 18.937 795 HG2 ARG 105 1HG ARG 105 -30.604 42.735 18.269 796 HG3 ARG 105 2HG ARG 105 -29.007 42.224 18.868 797 HD2 ARG 105 1HD ARG 105 -30.533 40.858 16.676 798 HD3 ARG 105 2HD ARG 105 -29.280 42.096 16.431 799 HE ARG 105 HE ARG 105 -28.705 39.263 17.093 800 HH11 ARG 105 1HH1 ARG 105 -27.449 42.515 17.104 801 HH12 ARG 105 2HH1 ARG 105 -25.814 41.890 17.174 802 HH21 ARG 105 1HH2 ARG 105 -26.837 38.531 17.166 803 HH22 ARG 105 2HH2 ARG 105 -25.463 39.618 17.209 804 H GLY 106 H GLY 106 -30.517 43.923 21.384 805 HA2 GLY 106 1HA GLY 106 -33.251 44.867 21.381 806 HA3 GLY 106 2HA GLY 106 -31.781 45.858 21.556 807 H ARG 107 H ARG 107 -30.850 44.459 18.949 808 HA ARG 107 HA ARG 107 -32.057 46.489 17.151 809 HB2 ARG 107 1HB ARG 107 -29.733 44.657 16.765 810 HB3 ARG 107 2HB ARG 107 -30.362 45.810 15.565 811 HG2 ARG 107 1HG ARG 107 -29.854 47.673 17.075 812 HG3 ARG 107 2HG ARG 107 -29.247 46.527 18.295 813 HD2 ARG 107 1HD ARG 107 -27.493 45.848 16.753 814 HD3 ARG 107 2HD ARG 107 -28.085 47.045 15.577 815 HE ARG 107 HE ARG 107 -27.369 48.519 17.936 816 HH11 ARG 107 1HH1 ARG 107 -25.735 46.465 15.640 817 HH12 ARG 107 2HH1 ARG 107 -24.251 47.365 15.882 818 HH21 ARG 107 1HH2 ARG 107 -25.675 49.554 18.231 819 HH22 ARG 107 2HH2 ARG 107 -24.215 49.126 17.361 820 H SER 108 H SER 108 -32.794 43.410 18.080 821 HA SER 108 HA SER 108 -33.420 42.096 15.557 822 HB2 SER 108 1HB SER 108 -33.060 40.868 17.495 823 HB3 SER 108 2HB SER 108 -34.450 41.640 18.289 824 HG SER 108 HG SER 108 -34.973 39.617 17.352 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 1.227 3.883 3.954 2 H2 GLY 1 2H GLY 1 0.815 2.760 3.051 3 H3 GLY 1 3H GLY 1 2.173 3.378 2.907 4 HA2 GLY 1 1HA GLY 1 -0.158 4.182 1.496 5 HA3 GLY 1 2HA GLY 1 0.332 5.514 2.569 6 H GLY 2 H GLY 2 1.650 3.240 0.139 7 HA2 GLY 2 1HA GLY 2 3.137 3.587 -1.599 8 HA3 GLY 2 2HA GLY 2 2.784 5.326 -1.464 9 H SER 3 H SER 3 4.581 6.458 -1.230 10 HA SER 3 HA SER 3 6.597 5.674 0.863 11 HB2 SER 3 1HB SER 3 7.360 4.511 -1.004 12 HB3 SER 3 2HB SER 3 7.309 5.989 -1.991 13 HG SER 3 HG SER 3 9.390 5.565 -1.133 14 H ASN 4 H ASN 4 7.205 7.433 1.943 15 HA ASN 4 HA ASN 4 7.379 9.670 2.559 16 HB2 ASN 4 1HB ASN 4 9.091 9.541 0.364 17 HB3 ASN 4 2HB ASN 4 7.582 10.317 -0.178 18 HD21 ASN 4 2HD2 ASN 4 9.113 12.056 -0.677 19 HD22 ASN 4 1HD2 ASN 4 9.473 13.211 0.564 20 H ALA 5 H ALA 5 4.803 8.863 2.311 21 HA ALA 5 HA ALA 5 3.497 11.397 1.640 22 HB1 ALA 5 3HB ALA 5 2.750 8.846 0.173 23 HB2 ALA 5 1HB ALA 5 1.853 10.380 0.112 24 HB3 ALA 5 2HB ALA 5 3.503 10.289 -0.549 25 H THR 6 H THR 6 1.334 11.557 2.389 26 HA THR 6 HA THR 6 0.397 9.391 4.191 27 HB THR 6 HB THR 6 0.928 12.219 5.177 28 HG1 THR 6 HG1 THR 6 2.216 9.720 5.649 29 HG21 THR 6 1HG2 THR 6 0.188 11.319 7.355 30 HG22 THR 6 2HG2 THR 6 -1.105 11.192 6.137 31 HG23 THR 6 3HG2 THR 6 -0.162 9.752 6.588 32 H ALA 7 H ALA 7 -1.658 9.083 3.964 33 HA ALA 7 HA ALA 7 -3.309 10.812 2.389 34 HB1 ALA 7 3HB ALA 7 -4.090 8.619 4.334 35 HB2 ALA 7 1HB ALA 7 -5.158 9.362 3.123 36 HB3 ALA 7 2HB ALA 7 -3.748 8.409 2.602 37 HA PRO 8 HA PRO 8 -4.581 13.980 5.131 38 HB2 PRO 8 1HB PRO 8 -7.323 13.517 3.882 39 HB3 PRO 8 2HB PRO 8 -6.420 15.031 4.032 40 HG2 PRO 8 1HG PRO 8 -6.554 13.822 1.661 41 HG3 PRO 8 2HG PRO 8 -5.025 14.543 2.180 42 HD2 PRO 8 1HD PRO 8 -5.834 11.609 2.152 43 HD3 PRO 8 2HD PRO 8 -4.269 12.332 1.759 44 H PHE 9 H PHE 9 -5.061 13.980 7.145 45 HA PHE 9 HA PHE 9 -7.346 12.381 8.135 46 HB2 PHE 9 1HB PHE 9 -5.544 10.741 8.321 47 HB3 PHE 9 2HB PHE 9 -4.487 11.938 9.104 48 HD1 PHE 9 HD1 PHE 9 -7.576 9.944 9.509 49 HD2 PHE 9 HD2 PHE 9 -4.572 12.319 11.402 50 HE1 PHE 9 HE1 PHE 9 -8.401 9.219 11.724 51 HE2 PHE 9 HE2 PHE 9 -5.392 11.594 13.618 52 HZ PHE 9 HZ PHE 9 -7.308 10.044 13.779 53 H PHE 10 H PHE 10 -8.472 13.484 9.513 54 HA PHE 10 HA PHE 10 -7.563 16.078 10.449 55 HB2 PHE 10 1HB PHE 10 -10.000 14.387 11.149 56 HB3 PHE 10 2HB PHE 10 -9.728 16.046 11.728 57 HD1 PHE 10 HD2 PHE 10 -9.259 17.808 9.850 58 HD2 PHE 10 HD1 PHE 10 -11.235 14.066 9.267 59 HE1 PHE 10 HE2 PHE 10 -10.344 18.700 7.815 60 HE2 PHE 10 HE1 PHE 10 -12.319 14.954 7.230 61 HZ PHE 10 HZ PHE 10 -11.874 17.271 6.505 62 H GLU 11 H GLU 11 -5.618 15.597 11.531 63 HA GLU 11 HA GLU 11 -5.544 14.111 13.992 64 HB2 GLU 11 1HB GLU 11 -3.515 15.238 14.433 65 HB3 GLU 11 2HB GLU 11 -3.573 14.876 12.690 66 HG2 GLU 11 1HG GLU 11 -4.218 17.305 12.261 67 HG3 GLU 11 2HG GLU 11 -4.151 17.486 14.029 68 H MET 12 H MET 12 -6.836 17.239 13.175 69 HA MET 12 HA MET 12 -8.005 17.217 15.924 70 HB2 MET 12 1HB MET 12 -6.235 18.906 15.863 71 HB3 MET 12 2HB MET 12 -7.002 19.650 14.440 72 HG2 MET 12 1HG MET 12 -8.971 20.213 15.761 73 HG3 MET 12 2HG MET 12 -8.273 19.402 17.184 74 HE1 MET 12 3HE MET 12 -8.426 22.586 14.999 75 HE2 MET 12 1HE MET 12 -6.913 23.439 15.387 76 HE3 MET 12 2HE MET 12 -6.867 21.929 14.443 77 H LYS 13 H LYS 13 -10.080 16.927 15.778 78 HA LYS 13 HA LYS 13 -11.365 17.457 13.146 79 HB2 LYS 13 1HB LYS 13 -12.224 15.822 15.536 80 HB3 LYS 13 2HB LYS 13 -13.163 16.023 14.038 81 HG2 LYS 13 1HG LYS 13 -11.359 14.939 12.760 82 HG3 LYS 13 2HG LYS 13 -10.420 14.736 14.259 83 HD2 LYS 13 1HD LYS 13 -12.190 13.320 15.195 84 HD3 LYS 13 2HD LYS 13 -13.161 13.543 13.721 85 HE2 LYS 13 1HE LYS 13 -11.380 12.476 12.394 86 HE3 LYS 13 2HE LYS 13 -10.426 12.239 13.876 87 HZ1 LYS 13 3HZ LYS 13 -13.075 11.058 13.336 88 HZ2 LYS 13 1HZ LYS 13 -11.636 10.255 13.270 89 HZ3 LYS 13 2HZ LYS 13 -12.190 10.838 14.711 90 H LEU 14 H LEU 14 -13.638 18.130 13.132 91 HA LEU 14 HA LEU 14 -13.950 20.533 14.800 92 HB2 LEU 14 1HB LEU 14 -15.600 19.203 12.757 93 HB3 LEU 14 2HB LEU 14 -16.087 20.788 13.402 94 HG LEU 14 HG LEU 14 -13.604 20.156 11.760 95 HD11 LEU 14 1HD1 LEU 14 -14.653 21.717 10.099 96 HD12 LEU 14 2HD1 LEU 14 -15.711 20.326 10.437 97 HD13 LEU 14 3HD1 LEU 14 -16.051 21.906 11.183 98 HD21 LEU 14 3HD2 LEU 14 -13.087 21.794 13.472 99 HD22 LEU 14 1HD2 LEU 14 -13.124 22.577 11.874 100 HD23 LEU 14 2HD2 LEU 14 -14.492 22.777 12.997 101 H LYS 15 H LYS 15 -15.775 21.030 16.065 102 HA LYS 15 HA LYS 15 -17.160 18.604 17.167 103 HB2 LYS 15 1HB LYS 15 -16.532 21.243 18.498 104 HB3 LYS 15 2HB LYS 15 -17.458 19.906 19.218 105 HG2 LYS 15 1HG LYS 15 -15.455 18.459 19.064 106 HG3 LYS 15 2HG LYS 15 -14.534 19.829 18.400 107 HD2 LYS 15 1HD LYS 15 -14.929 21.106 20.463 108 HD3 LYS 15 2HD LYS 15 -15.871 19.750 21.126 109 HE2 LYS 15 1HE LYS 15 -13.883 18.308 21.002 110 HE3 LYS 15 2HE LYS 15 -12.941 19.664 20.341 111 HZ1 LYS 15 3HZ LYS 15 -14.202 19.590 23.008 112 HZ2 LYS 15 1HZ LYS 15 -12.591 19.405 22.704 113 HZ3 LYS 15 2HZ LYS 15 -13.328 20.849 22.396 114 H HIS 16 H HIS 16 -19.270 19.255 18.296 115 HA HIS 16 HA HIS 16 -20.991 20.587 16.348 116 HB2 HIS 16 1HB HIS 16 -21.781 18.670 17.764 117 HB3 HIS 16 2HB HIS 16 -21.624 19.708 19.201 118 HD1 HIS 16 HD1 HIS 16 -24.266 18.915 19.243 119 HD2 HIS 16 HD2 HIS 16 -23.206 21.914 16.478 120 HE1 HIS 16 HE1 HIS 16 -26.359 19.980 18.567 121 H TYR 17 H TYR 17 -21.007 22.668 16.050 122 HA TYR 17 HA TYR 17 -20.224 24.435 18.324 123 HB2 TYR 17 1HB TYR 17 -20.484 25.002 15.364 124 HB3 TYR 17 2HB TYR 17 -19.892 26.129 16.610 125 HD1 TYR 17 HD2 TYR 17 -17.827 25.281 17.998 126 HD2 TYR 17 HD1 TYR 17 -18.928 23.724 14.183 127 HE1 TYR 17 HE2 TYR 17 -15.527 24.426 17.694 128 HE2 TYR 17 HE1 TYR 17 -16.628 22.861 13.863 129 HH TYR 17 HH TYR 17 -14.033 23.506 16.193 130 H LYS 18 H LYS 18 -21.413 26.082 19.078 131 HA LYS 18 HA LYS 18 -24.105 26.526 17.854 132 HB2 LYS 18 1HB LYS 18 -23.498 26.045 20.773 133 HB3 LYS 18 2HB LYS 18 -25.032 26.696 20.148 134 HG2 LYS 18 1HG LYS 18 -25.346 24.599 18.845 135 HG3 LYS 18 2HG LYS 18 -23.865 23.949 19.588 136 HD2 LYS 18 1HD LYS 18 -24.891 24.198 21.822 137 HD3 LYS 18 2HD LYS 18 -26.378 24.811 21.061 138 HE2 LYS 18 1HE LYS 18 -26.639 22.685 19.856 139 HE3 LYS 18 2HE LYS 18 -25.151 22.072 20.612 140 HZ1 LYS 18 3HZ LYS 18 -27.611 22.843 22.047 141 HZ2 LYS 18 1HZ LYS 18 -27.116 21.298 21.756 142 HZ3 LYS 18 2HZ LYS 18 -26.231 22.274 22.749 143 H ILE 19 H ILE 19 -24.862 28.545 17.873 144 HA ILE 19 HA ILE 19 -23.439 30.659 19.388 145 HB ILE 19 HB ILE 19 -22.157 30.321 17.185 146 HG12 ILE 19 1HG1 ILE 19 -22.199 32.743 16.625 147 HG13 ILE 19 2HG1 ILE 19 -23.528 32.924 17.793 148 HG21 ILE 19 1HG2 ILE 19 -23.247 31.216 15.155 149 HG22 ILE 19 2HG2 ILE 19 -24.116 29.792 15.773 150 HG23 ILE 19 3HG2 ILE 19 -24.765 31.423 16.060 151 HD11 ILE 19 3HD1 ILE 19 -20.731 31.921 18.424 152 HD12 ILE 19 1HD1 ILE 19 -21.367 33.536 18.805 153 HD13 ILE 19 2HD1 ILE 19 -22.060 32.099 19.593 154 H PHE 20 H PHE 20 -24.505 32.539 19.641 155 HA PHE 20 HA PHE 20 -27.394 32.455 19.174 156 HB2 PHE 20 1HB PHE 20 -25.497 34.523 20.340 157 HB3 PHE 20 2HB PHE 20 -27.231 34.839 20.099 158 HD1 PHE 20 HD2 PHE 20 -28.902 33.434 21.289 159 HD2 PHE 20 HD1 PHE 20 -24.724 33.301 22.167 160 HE1 PHE 20 HE2 PHE 20 -29.398 32.401 23.479 161 HE2 PHE 20 HE1 PHE 20 -25.215 32.267 24.357 162 HZ PHE 20 HZ PHE 20 -27.553 31.816 25.014 163 H GLU 21 H GLU 21 -28.635 33.692 17.856 164 HA GLU 21 HA GLU 21 -27.686 34.117 15.223 165 HB2 GLU 21 1HB GLU 21 -30.050 33.878 15.897 166 HB3 GLU 21 2HB GLU 21 -29.980 35.508 16.610 167 HG2 GLU 21 1HG GLU 21 -29.494 36.438 14.279 168 HG3 GLU 21 2HG GLU 21 -29.592 34.745 13.745 169 H GLY 22 H GLY 22 -26.345 35.491 14.383 170 HA2 GLY 22 1HA GLY 22 -25.987 37.765 13.672 171 HA3 GLY 22 2HA GLY 22 -26.562 38.332 15.256 172 H MET 23 H MET 23 -24.821 35.914 16.287 173 HA MET 23 HA MET 23 -22.517 37.665 16.882 174 HB2 MET 23 1HB MET 23 -23.262 34.903 17.837 175 HB3 MET 23 2HB MET 23 -21.896 35.877 18.431 176 HG2 MET 23 1HG MET 23 -24.826 36.635 18.650 177 HG3 MET 23 2HG MET 23 -23.852 35.921 19.957 178 HE1 MET 23 3HE MET 23 -21.108 37.262 19.926 179 HE2 MET 23 1HE MET 23 -21.370 38.720 20.914 180 HE3 MET 23 2HE MET 23 -22.126 37.178 21.385 181 HA PRO 24 HA PRO 24 -19.729 35.736 14.117 182 HB2 PRO 24 1HB PRO 24 -17.337 36.298 15.340 183 HB3 PRO 24 2HB PRO 24 -18.312 37.609 14.662 184 HG2 PRO 24 1HG PRO 24 -18.106 36.680 17.547 185 HG3 PRO 24 2HG PRO 24 -18.075 38.329 16.905 186 HD2 PRO 24 1HD PRO 24 -20.366 37.232 17.961 187 HD3 PRO 24 2HD PRO 24 -20.426 38.417 16.652 188 H VAL 25 H VAL 25 -18.406 34.001 13.773 189 HA VAL 25 HA VAL 25 -18.067 32.103 16.078 190 HB VAL 25 HB VAL 25 -19.135 31.364 13.322 191 HG11 VAL 25 1HG1 VAL 25 -19.360 29.108 14.309 192 HG12 VAL 25 2HG1 VAL 25 -17.665 29.651 14.330 193 HG13 VAL 25 3HG1 VAL 25 -18.634 29.698 15.823 194 HG21 VAL 25 3HG2 VAL 25 -20.844 32.483 14.624 195 HG22 VAL 25 1HG2 VAL 25 -21.196 30.746 14.478 196 HG23 VAL 25 2HG2 VAL 25 -20.538 31.395 15.999 197 H THR 26 H THR 26 -16.144 31.397 16.320 198 HA THR 26 HA THR 26 -14.360 31.299 13.915 199 HB THR 26 HB THR 26 -13.558 32.196 16.717 200 HG1 THR 26 HG1 THR 26 -13.880 33.650 14.275 201 HG21 THR 26 1HG2 THR 26 -11.390 32.709 15.650 202 HG22 THR 26 2HG2 THR 26 -11.783 30.979 15.503 203 HG23 THR 26 3HG2 THR 26 -11.997 32.061 14.107 204 H PHE 27 H PHE 27 -13.688 29.365 13.491 205 HA PHE 27 HA PHE 27 -12.448 27.792 15.642 206 HB2 PHE 27 1HB PHE 27 -13.754 25.735 15.159 207 HB3 PHE 27 2HB PHE 27 -14.796 27.019 15.811 208 HD1 PHE 27 HD2 PHE 27 -16.424 28.132 14.418 209 HD2 PHE 27 HD1 PHE 27 -13.987 24.962 12.914 210 HE1 PHE 27 HE2 PHE 27 -17.950 27.877 12.490 211 HE2 PHE 27 HE1 PHE 27 -15.508 24.706 10.983 212 HZ PHE 27 HZ PHE 27 -17.490 26.164 10.771 213 H THR 28 H THR 28 -11.466 25.761 14.765 214 HA THR 28 HA THR 28 -10.597 26.061 11.943 215 HB THR 28 HB THR 28 -9.105 27.593 13.265 216 HG1 THR 28 HG1 THR 28 -7.171 26.611 12.448 217 HG21 THR 28 1HG2 THR 28 -7.488 26.581 14.833 218 HG22 THR 28 2HG2 THR 28 -9.160 26.359 15.404 219 HG23 THR 28 3HG2 THR 28 -8.292 25.005 14.645 220 H CYS 29 H CYS 29 -9.209 24.354 11.210 221 HA CYS 29 HA CYS 29 -9.405 21.814 12.853 222 HB2 CYS 29 1HB CYS 29 -11.265 22.309 11.122 223 HB3 CYS 29 2HB CYS 29 -9.997 22.101 9.889 224 HG CYS 29 HG CYS 29 -11.126 20.014 12.126 225 H ARG 30 H ARG 30 -7.770 20.341 12.474 226 HA ARG 30 HA ARG 30 -5.495 21.324 10.782 227 HB2 ARG 30 1HB ARG 30 -5.115 21.788 13.135 228 HB3 ARG 30 2HB ARG 30 -5.241 20.045 13.468 229 HG2 ARG 30 1HG ARG 30 -3.292 19.601 12.087 230 HG3 ARG 30 2HG ARG 30 -3.197 21.316 11.621 231 HD2 ARG 30 1HD ARG 30 -2.911 20.315 14.432 232 HD3 ARG 30 2HD ARG 30 -1.554 20.571 13.312 233 HE ARG 30 HE ARG 30 -2.769 23.114 13.474 234 HH11 ARG 30 1HH1 ARG 30 -1.645 20.868 15.893 235 HH12 ARG 30 2HH1 ARG 30 -1.257 22.203 16.961 236 HH21 ARG 30 1HH2 ARG 30 -2.336 24.652 14.688 237 HH22 ARG 30 2HH2 ARG 30 -1.651 24.361 16.274 238 H VAL 31 H VAL 31 -4.457 19.918 9.545 239 HA VAL 31 HA VAL 31 -5.414 17.062 9.620 240 HB VAL 31 HB VAL 31 -5.025 18.820 7.157 241 HG11 VAL 31 1HG1 VAL 31 -5.872 16.845 5.933 242 HG12 VAL 31 2HG1 VAL 31 -4.371 16.461 6.807 243 HG13 VAL 31 3HG1 VAL 31 -5.941 15.930 7.456 244 HG21 VAL 31 3HG2 VAL 31 -7.065 19.402 8.328 245 HG22 VAL 31 1HG2 VAL 31 -7.429 18.546 6.811 246 HG23 VAL 31 2HG2 VAL 31 -7.553 17.690 8.367 247 H ALA 32 H ALA 32 -3.971 15.583 9.639 248 HA ALA 32 HA ALA 32 -1.149 16.387 9.216 249 HB1 ALA 32 3HB ALA 32 -2.355 13.804 10.269 250 HB2 ALA 32 1HB ALA 32 -0.619 14.188 10.195 251 HB3 ALA 32 2HB ALA 32 -1.692 15.131 11.252 252 H GLY 33 H GLY 33 -1.847 16.676 6.870 253 HA2 GLY 33 1HA GLY 33 -1.788 14.055 5.432 254 HA3 GLY 33 2HA GLY 33 -2.412 15.587 4.772 255 H ASN 34 H ASN 34 -0.541 13.944 3.432 256 HA ASN 34 HA ASN 34 1.546 15.968 2.996 257 HB2 ASN 34 3HB ASN 34 2.430 14.420 4.887 258 HB3 ASN 34 2HB ASN 34 2.341 13.066 3.785 259 HD21 ASN 34 2HD2 ASN 34 4.660 13.839 5.100 260 HD22 ASN 34 1HD2 ASN 34 5.820 14.345 3.760 261 HA PRO 35 HA PRO 35 2.354 16.851 1.671 262 HB2 PRO 35 1HB PRO 35 0.929 17.923 -0.753 263 HB3 PRO 35 2HB PRO 35 2.645 18.047 -0.340 264 HG2 PRO 35 1HG PRO 35 1.843 16.425 -2.326 265 HG3 PRO 35 2HG PRO 35 3.161 15.936 -1.252 266 HD2 PRO 35 1HD PRO 35 0.231 15.074 -1.176 267 HD3 PRO 35 2HD PRO 35 1.680 14.077 -0.996 268 H LYS 36 H LYS 36 1.484 18.915 2.251 269 HA LYS 36 HA LYS 36 -0.856 18.647 3.823 270 HB2 LYS 36 1HB LYS 36 0.291 21.187 2.662 271 HB3 LYS 36 2HB LYS 36 -0.795 21.047 4.066 272 HG2 LYS 36 1HG LYS 36 1.973 19.811 3.961 273 HG3 LYS 36 2HG LYS 36 1.653 21.440 4.604 274 HD2 LYS 36 1HD LYS 36 0.221 20.561 6.324 275 HD3 LYS 36 2HD LYS 36 0.269 18.934 5.606 276 HE2 LYS 36 1HE LYS 36 2.531 18.613 6.209 277 HE3 LYS 36 2HE LYS 36 2.769 20.342 6.549 278 HZ1 LYS 36 3HZ LYS 36 1.078 18.503 8.118 279 HZ2 LYS 36 1HZ LYS 36 2.564 19.057 8.568 280 HZ3 LYS 36 2HZ LYS 36 1.298 20.107 8.434 281 HA PRO 37 HA PRO 37 -3.916 18.666 0.616 282 HB2 PRO 37 1HB PRO 37 -5.711 18.810 3.061 283 HB3 PRO 37 2HB PRO 37 -5.760 17.653 1.724 284 HG2 PRO 37 1HG PRO 37 -4.817 16.880 4.099 285 HG3 PRO 37 2HG PRO 37 -4.018 16.330 2.618 286 HD2 PRO 37 1HD PRO 37 -3.134 18.487 4.571 287 HD3 PRO 37 2HD PRO 37 -2.146 17.329 3.673 288 H LYS 38 H LYS 38 -5.361 20.061 -0.263 289 HA LYS 38 HA LYS 38 -5.107 22.850 0.701 290 HB2 LYS 38 1HB LYS 38 -6.454 21.660 -1.725 291 HB3 LYS 38 2HB LYS 38 -6.324 23.397 -1.361 292 HG2 LYS 38 1HG LYS 38 -3.873 23.249 -1.510 293 HG3 LYS 38 2HG LYS 38 -3.997 21.509 -1.862 294 HD2 LYS 38 1HD LYS 38 -5.226 21.983 -3.919 295 HD3 LYS 38 2HD LYS 38 -5.193 23.726 -3.557 296 HE2 LYS 38 1HE LYS 38 -2.747 23.722 -3.687 297 HE3 LYS 38 2HE LYS 38 -2.758 21.973 -4.010 298 HZ1 LYS 38 3HZ LYS 38 -3.949 24.043 -5.741 299 HZ2 LYS 38 1HZ LYS 38 -2.532 23.249 -6.032 300 HZ3 LYS 38 2HZ LYS 38 -3.960 22.421 -6.042 301 H ILE 39 H ILE 39 -6.277 22.285 2.707 302 HA ILE 39 HA ILE 39 -8.862 21.240 2.878 303 HB ILE 39 HB ILE 39 -7.605 23.520 4.473 304 HG12 ILE 39 1HG1 ILE 39 -8.011 20.633 5.201 305 HG13 ILE 39 2HG1 ILE 39 -6.511 21.302 4.519 306 HG21 ILE 39 1HG2 ILE 39 -9.363 23.081 6.154 307 HG22 ILE 39 2HG2 ILE 39 -10.071 23.622 4.614 308 HG23 ILE 39 3HG2 ILE 39 -10.117 21.900 5.059 309 HD11 ILE 39 3HD1 ILE 39 -7.796 22.131 7.145 310 HD12 ILE 39 1HD1 ILE 39 -6.360 21.096 6.969 311 HD13 ILE 39 2HD1 ILE 39 -6.296 22.801 6.463 312 H TYR 40 H TYR 40 -10.658 21.610 1.951 313 HA TYR 40 HA TYR 40 -11.347 24.454 1.287 314 HB2 TYR 40 1HB TYR 40 -12.452 21.859 0.189 315 HB3 TYR 40 2HB TYR 40 -12.976 23.498 -0.268 316 HD1 TYR 40 HD2 TYR 40 -11.053 25.068 -1.162 317 HD2 TYR 40 HD1 TYR 40 -10.834 20.810 -1.121 318 HE1 TYR 40 HE2 TYR 40 -9.307 25.152 -2.909 319 HE2 TYR 40 HE1 TYR 40 -9.082 20.876 -2.873 320 HH TYR 40 HH TYR 40 -7.902 23.952 -4.240 321 H TRP 41 H TRP 41 -13.315 25.312 1.806 322 HA TRP 41 HA TRP 41 -14.966 23.682 3.713 323 HB2 TRP 41 1HB TRP 41 -14.510 26.695 3.590 324 HB3 TRP 41 2HB TRP 41 -15.734 25.904 4.613 325 HD1 TRP 41 HD1 TRP 41 -12.086 26.426 4.229 326 HE1 TRP 41 HE1 TRP 41 -10.839 25.812 6.547 327 HE3 TRP 41 HE3 TRP 41 -16.055 24.419 6.689 328 HZ2 TRP 41 HZ2 TRP 41 -11.596 24.660 8.943 329 HZ3 TRP 41 HZ3 TRP 41 -15.791 23.580 8.942 330 HH2 TRP 41 HH2 TRP 41 -13.627 23.675 10.104 331 H PHE 42 H PHE 42 -17.080 23.430 3.381 332 HA PHE 42 HA PHE 42 -18.503 25.338 1.630 333 HB2 PHE 42 1HB PHE 42 -19.550 23.504 0.297 334 HB3 PHE 42 2HB PHE 42 -17.800 23.626 0.007 335 HD1 PHE 42 HD2 PHE 42 -16.271 21.962 0.952 336 HD2 PHE 42 HD1 PHE 42 -20.516 21.576 1.243 337 HE1 PHE 42 HE2 PHE 42 -16.013 19.559 1.475 338 HE2 PHE 42 HE1 PHE 42 -20.262 19.174 1.768 339 HZ PHE 42 HZ PHE 42 -18.010 18.165 1.884 340 H LYS 43 H LYS 43 -20.697 25.444 1.952 341 HA LYS 43 HA LYS 43 -21.495 24.222 4.575 342 HB2 LYS 43 1HB LYS 43 -21.129 26.722 4.421 343 HB3 LYS 43 2HB LYS 43 -22.532 26.764 3.327 344 HG2 LYS 43 1HG LYS 43 -22.895 25.404 5.956 345 HG3 LYS 43 2HG LYS 43 -22.731 27.176 5.979 346 HD2 LYS 43 1HD LYS 43 -24.523 27.236 4.174 347 HD3 LYS 43 2HD LYS 43 -24.794 25.510 4.513 348 HE2 LYS 43 1HE LYS 43 -25.053 26.239 6.973 349 HE3 LYS 43 2HE LYS 43 -25.221 27.886 6.325 350 HZ1 LYS 43 3HZ LYS 43 -26.924 25.583 5.617 351 HZ2 LYS 43 1HZ LYS 43 -27.355 26.825 6.618 352 HZ3 LYS 43 2HZ LYS 43 -27.081 27.111 5.017 353 H ASP 44 H ASP 44 -22.824 22.612 4.357 354 HA ASP 44 HA ASP 44 -24.490 21.247 3.478 355 HB2 ASP 44 1HB ASP 44 -25.847 23.963 2.966 356 HB3 ASP 44 2HB ASP 44 -26.481 22.310 2.790 357 H GLY 45 H GLY 45 -22.305 22.003 1.725 358 HA2 GLY 45 1HA GLY 45 -21.952 20.980 -0.407 359 HA3 GLY 45 2HA GLY 45 -23.677 21.202 -0.788 360 H LYS 46 H LYS 46 -22.747 24.015 0.626 361 HA LYS 46 HA LYS 46 -22.451 25.327 -2.034 362 HB2 LYS 46 1HB LYS 46 -23.008 26.457 0.715 363 HB3 LYS 46 2HB LYS 46 -22.940 27.384 -0.804 364 HG2 LYS 46 1HG LYS 46 -24.885 26.191 -1.660 365 HG3 LYS 46 2HG LYS 46 -24.927 25.166 -0.205 366 HD2 LYS 46 1HD LYS 46 -25.364 27.134 1.190 367 HD3 LYS 46 2HD LYS 46 -25.278 28.184 -0.245 368 HE2 LYS 46 1HE LYS 46 -27.185 26.913 -1.226 369 HE3 LYS 46 2HE LYS 46 -27.309 25.997 0.294 370 HZ1 LYS 46 3HZ LYS 46 -27.630 28.917 0.020 371 HZ2 LYS 46 1HZ LYS 46 -28.856 27.833 0.232 372 HZ3 LYS 46 2HZ LYS 46 -27.746 28.068 1.430 373 H GLN 47 H GLN 47 -20.411 25.246 -2.678 374 HA GLN 47 HA GLN 47 -18.101 25.277 -1.071 375 HB2 GLN 47 1HB GLN 47 -18.200 24.800 -3.504 376 HB3 GLN 47 2HB GLN 47 -18.456 26.537 -3.798 377 HG2 GLN 47 1HG GLN 47 -15.988 26.892 -2.717 378 HG3 GLN 47 2HG GLN 47 -16.240 25.136 -2.584 379 HE21 GLN 47 2HE2 GLN 47 -13.999 26.060 -3.828 380 HE22 GLN 47 1HE2 GLN 47 -14.102 25.790 -5.536 381 H ILE 48 H ILE 48 -17.061 26.664 0.117 382 HA ILE 48 HA ILE 48 -18.029 29.499 0.127 383 HB ILE 48 HB ILE 48 -16.359 27.915 2.136 384 HG12 ILE 48 1HG1 ILE 48 -19.155 28.981 2.403 385 HG13 ILE 48 2HG1 ILE 48 -18.751 27.310 1.948 386 HG21 ILE 48 1HG2 ILE 48 -16.610 29.904 3.581 387 HG22 ILE 48 2HG2 ILE 48 -15.743 30.309 2.082 388 HG23 ILE 48 3HG2 ILE 48 -17.455 30.754 2.266 389 HD11 ILE 48 3HD1 ILE 48 -17.990 28.677 4.553 390 HD12 ILE 48 1HD1 ILE 48 -19.283 27.474 4.347 391 HD13 ILE 48 2HD1 ILE 48 -17.585 27.005 4.097 392 H SER 49 H SER 49 -17.000 31.034 -0.786 393 HA SER 49 HA SER 49 -14.188 30.744 -1.690 394 HB2 SER 49 1HB SER 49 -15.667 31.773 -3.119 395 HB3 SER 49 2HB SER 49 -16.132 32.962 -1.880 396 HG SER 49 HG SER 49 -13.930 33.643 -1.879 397 HA PRO 50 HA PRO 50 -12.459 32.307 2.154 398 HB2 PRO 50 1HB PRO 50 -10.226 33.009 0.210 399 HB3 PRO 50 2HB PRO 50 -10.118 32.136 1.744 400 HG2 PRO 50 1HG PRO 50 -9.927 30.783 -0.545 401 HG3 PRO 50 2HG PRO 50 -10.855 30.095 0.795 402 HD2 PRO 50 1HD PRO 50 -11.880 31.471 -1.720 403 HD3 PRO 50 2HD PRO 50 -12.532 30.055 -0.887 404 H LYS 51 H LYS 51 -12.535 34.161 3.117 405 HA LYS 51 HA LYS 51 -12.911 36.435 3.419 406 HB2 LYS 51 1HB LYS 51 -11.399 36.613 0.809 407 HB3 LYS 51 2HB LYS 51 -11.758 37.970 1.903 408 HG2 LYS 51 1HG LYS 51 -10.401 36.896 3.665 409 HG3 LYS 51 2HG LYS 51 -10.022 35.563 2.551 410 HD2 LYS 51 1HD LYS 51 -8.934 37.146 1.015 411 HD3 LYS 51 2HD LYS 51 -9.325 38.487 2.117 412 HE2 LYS 51 1HE LYS 51 -7.950 37.490 3.865 413 HE3 LYS 51 2HE LYS 51 -7.606 36.090 2.825 414 HZ1 LYS 51 3HZ LYS 51 -6.810 38.876 2.269 415 HZ2 LYS 51 1HZ LYS 51 -5.807 37.680 2.799 416 HZ3 LYS 51 2HZ LYS 51 -6.492 37.577 1.302 417 H SER 52 H SER 52 -15.126 35.310 2.698 418 HA SER 52 HA SER 52 -16.304 36.709 0.324 419 HB2 SER 52 1HB SER 52 -16.675 34.361 0.710 420 HB3 SER 52 2HB SER 52 -17.597 34.800 2.166 421 HG SER 52 HG SER 52 -18.933 34.597 0.330 422 H ASP 53 H ASP 53 -18.881 36.949 1.252 423 HA ASP 53 HA ASP 53 -18.896 39.553 2.377 424 HB2 ASP 53 1HB ASP 53 -21.135 37.441 2.299 425 HB3 ASP 53 2HB ASP 53 -21.187 39.117 2.898 426 H HIS 54 H HIS 54 -19.360 36.401 3.957 427 HA HIS 54 HA HIS 54 -18.693 37.730 6.545 428 HB2 HIS 54 1HB HIS 54 -21.053 35.848 6.096 429 HB3 HIS 54 2HB HIS 54 -20.471 36.410 7.682 430 HD2 HIS 54 HD2 HIS 54 -22.976 37.549 4.917 431 HE1 HIS 54 HE1 HIS 54 -22.285 40.798 7.567 432 HE2 HIS 54 HE2 HIS 54 -23.746 39.827 5.609 433 H TYR 55 H TYR 55 -17.992 35.408 4.321 434 HA TYR 55 HA TYR 55 -17.160 33.399 6.385 435 HB2 TYR 55 1HB TYR 55 -17.690 33.128 3.422 436 HB3 TYR 55 2HB TYR 55 -17.037 31.839 4.464 437 HD1 TYR 55 HD1 TYR 55 -18.960 32.995 6.811 438 HD2 TYR 55 HD2 TYR 55 -19.546 31.501 2.860 439 HE1 TYR 55 HE1 TYR 55 -21.265 32.311 7.416 440 HE2 TYR 55 HE2 TYR 55 -21.845 30.814 3.446 441 HH TYR 55 HH TYR 55 -23.523 31.886 6.062 442 H THR 56 H THR 56 -15.227 34.165 7.031 443 HA THR 56 HA THR 56 -13.162 34.653 4.934 444 HB THR 56 HB THR 56 -13.093 35.120 7.949 445 HG1 THR 56 HG1 THR 56 -13.171 37.340 7.260 446 HG21 THR 56 1HG2 THR 56 -11.002 36.344 7.472 447 HG22 THR 56 2HG2 THR 56 -10.864 34.633 6.997 448 HG23 THR 56 3HG2 THR 56 -11.122 35.883 5.758 449 H ILE 57 H ILE 57 -11.750 33.214 4.375 450 HA ILE 57 HA ILE 57 -11.207 30.938 6.270 451 HB ILE 57 HB ILE 57 -11.143 30.997 3.215 452 HG12 ILE 57 1HG1 ILE 57 -12.909 29.425 5.072 453 HG13 ILE 57 2HG1 ILE 57 -13.375 30.931 4.248 454 HG21 ILE 57 1HG2 ILE 57 -10.588 28.595 3.401 455 HG22 ILE 57 2HG2 ILE 57 -9.339 29.602 4.169 456 HG23 ILE 57 3HG2 ILE 57 -10.532 28.745 5.173 457 HD11 ILE 57 3HD1 ILE 57 -12.570 28.335 2.889 458 HD12 ILE 57 1HD1 ILE 57 -14.229 28.958 3.046 459 HD13 ILE 57 2HD1 ILE 57 -13.036 29.841 2.064 460 H GLN 58 H GLN 58 -9.285 30.565 6.963 461 HA GLN 58 HA GLN 58 -7.000 31.831 5.499 462 HB2 GLN 58 1HB GLN 58 -7.475 33.147 7.479 463 HB3 GLN 58 2HB GLN 58 -7.458 31.676 8.481 464 HG2 GLN 58 1HG GLN 58 -5.095 32.648 8.799 465 HG3 GLN 58 2HG GLN 58 -5.285 31.288 7.669 466 HE21 GLN 58 2HE2 GLN 58 -3.464 31.727 6.457 467 HE22 GLN 58 1HE2 GLN 58 -3.315 33.124 5.445 468 H ARG 59 H ARG 59 -5.855 30.301 4.632 469 HA ARG 59 HA ARG 59 -5.720 27.660 6.029 470 HB2 ARG 59 1HB ARG 59 -6.613 27.770 3.737 471 HB3 ARG 59 2HB ARG 59 -4.990 28.261 3.199 472 HG2 ARG 59 1HG ARG 59 -4.083 26.146 4.136 473 HG3 ARG 59 2HG ARG 59 -5.741 25.651 4.552 474 HD2 ARG 59 1HD ARG 59 -4.637 26.145 1.805 475 HD3 ARG 59 2HD ARG 59 -5.007 24.572 2.552 476 HE ARG 59 HE ARG 59 -7.460 25.152 2.222 477 HH11 ARG 59 1HH1 ARG 59 -5.250 27.442 0.798 478 HH12 ARG 59 2HH1 ARG 59 -6.522 28.018 -0.263 479 HH21 ARG 59 1HH2 ARG 59 -8.929 25.805 1.020 480 HH22 ARG 59 2HH2 ARG 59 -8.619 27.086 -0.136 481 H ASP 60 H ASP 60 -4.137 27.893 7.513 482 HA ASP 60 HA ASP 60 -1.463 28.795 6.811 483 HB2 ASP 60 1HB ASP 60 -2.410 28.630 9.231 484 HB3 ASP 60 2HB ASP 60 -2.334 26.885 8.882 485 H LEU 61 H LEU 61 0.099 27.833 5.776 486 HA LEU 61 HA LEU 61 -0.554 25.339 4.416 487 HB2 LEU 61 1HB LEU 61 1.842 27.050 4.561 488 HB3 LEU 61 2HB LEU 61 1.777 25.718 3.385 489 HG LEU 61 HG LEU 61 0.012 28.195 3.442 490 HD11 LEU 61 1HD1 LEU 61 1.106 28.683 1.237 491 HD12 LEU 61 2HD1 LEU 61 2.306 28.584 2.547 492 HD13 LEU 61 3HD1 LEU 61 2.099 27.218 1.425 493 HD21 LEU 61 3HD2 LEU 61 -1.268 26.255 2.754 494 HD22 LEU 61 1HD2 LEU 61 -0.980 27.318 1.357 495 HD23 LEU 61 2HD2 LEU 61 -0.028 25.826 1.553 496 H ASP 62 H ASP 62 0.669 25.950 7.439 497 HA ASP 62 HA ASP 62 2.487 23.668 7.609 498 HB2 ASP 62 1HB ASP 62 1.067 25.324 9.784 499 HB3 ASP 62 2HB ASP 62 2.112 23.893 9.966 500 H GLY 63 H GLY 63 -0.869 23.980 7.330 501 HA2 GLY 63 1HA GLY 63 -1.939 21.819 6.757 502 HA3 GLY 63 2HA GLY 63 -1.120 21.114 8.169 503 H THR 64 H THR 64 -2.473 24.340 8.274 504 HA THR 64 HA THR 64 -4.871 23.333 9.751 505 HB THR 64 HB THR 64 -3.067 25.594 10.722 506 HG1 THR 64 HG1 THR 64 -2.166 23.495 11.079 507 HG21 THR 64 1HG2 THR 64 -4.529 25.537 12.712 508 HG22 THR 64 2HG2 THR 64 -5.465 25.898 11.241 509 HG23 THR 64 3HG2 THR 64 -5.516 24.267 11.951 510 H CYS 65 H CYS 65 -6.701 24.343 9.369 511 HA CYS 65 HA CYS 65 -6.629 26.954 7.824 512 HB2 CYS 65 1HB CYS 65 -6.867 24.869 6.427 513 HB3 CYS 65 2HB CYS 65 -8.334 24.471 7.352 514 HG CYS 65 HG CYS 65 -7.771 27.185 5.624 515 H SER 66 H SER 66 -7.870 28.451 8.755 516 HA SER 66 HA SER 66 -9.875 27.635 10.861 517 HB2 SER 66 1HB SER 66 -8.185 28.931 11.719 518 HB3 SER 66 2HB SER 66 -8.387 30.153 10.443 519 HG SER 66 HG SER 66 -9.463 30.711 12.387 520 H LEU 67 H LEU 67 -11.978 28.188 10.668 521 HA LEU 67 HA LEU 67 -12.753 29.965 8.375 522 HB2 LEU 67 1HB LEU 67 -13.470 27.836 8.023 523 HB3 LEU 67 2HB LEU 67 -14.236 27.587 9.609 524 HG LEU 67 HG LEU 67 -15.808 29.495 9.007 525 HD11 LEU 67 1HD1 LEU 67 -16.072 29.961 6.555 526 HD12 LEU 67 2HD1 LEU 67 -14.453 30.427 7.132 527 HD13 LEU 67 3HD1 LEU 67 -14.673 28.913 6.222 528 HD21 LEU 67 3HD2 LEU 67 -16.521 27.178 8.981 529 HD22 LEU 67 1HD2 LEU 67 -17.276 28.060 7.633 530 HD23 LEU 67 2HD2 LEU 67 -15.900 26.974 7.326 531 H HIS 68 H HIS 68 -13.542 31.843 8.845 532 HA HIS 68 HA HIS 68 -14.774 32.208 11.556 533 HB2 HIS 68 1HB HIS 68 -12.669 33.452 11.446 534 HB3 HIS 68 2HB HIS 68 -13.143 34.182 9.894 535 HD2 HIS 68 HD2 HIS 68 -14.287 36.726 10.221 536 HE1 HIS 68 HE1 HIS 68 -15.380 36.173 14.290 537 HE2 HIS 68 HE2 HIS 68 -15.281 37.817 12.241 538 H THR 69 H THR 69 -16.849 32.515 11.529 539 HA THR 69 HA THR 69 -18.081 33.901 9.187 540 HB THR 69 HB THR 69 -19.375 32.485 11.559 541 HG1 THR 69 HG1 THR 69 -19.904 30.937 9.904 542 HG21 THR 69 1HG2 THR 69 -21.458 32.727 10.255 543 HG22 THR 69 2HG2 THR 69 -20.760 34.317 10.649 544 HG23 THR 69 3HG2 THR 69 -20.574 33.644 9.012 545 H THR 70 H THR 70 -18.455 35.955 9.210 546 HA THR 70 HA THR 70 -17.794 37.566 11.507 547 HB THR 70 HB THR 70 -19.309 38.292 8.964 548 HG1 THR 70 HG1 THR 70 -17.217 39.137 8.393 549 HG21 THR 70 1HG2 THR 70 -18.712 40.618 9.541 550 HG22 THR 70 2HG2 THR 70 -19.740 39.889 10.800 551 HG23 THR 70 3HG2 THR 70 -17.988 40.055 11.066 552 H ALA 71 H ALA 71 -20.902 36.592 10.074 553 HA ALA 71 HA ALA 71 -22.206 37.265 12.646 554 HB1 ALA 71 3HB ALA 71 -23.089 38.428 9.983 555 HB2 ALA 71 1HB ALA 71 -23.974 38.560 11.521 556 HB3 ALA 71 2HB ALA 71 -22.387 39.336 11.338 557 H SER 72 H SER 72 -22.504 35.074 12.941 558 HA SER 72 HA SER 72 -23.742 33.337 10.915 559 HB2 SER 72 1HB SER 72 -22.161 32.489 12.406 560 HB3 SER 72 2HB SER 72 -23.200 32.904 13.790 561 HG SER 72 HG SER 72 -23.864 31.143 11.667 562 H THR 73 H THR 73 -25.817 33.787 10.349 563 HA THR 73 HA THR 73 -27.786 34.253 12.561 564 HB THR 73 HB THR 73 -29.238 35.289 10.910 565 HG1 THR 73 HG1 THR 73 -27.177 34.580 9.061 566 HG21 THR 73 1HG2 THR 73 -27.878 37.254 10.285 567 HG22 THR 73 2HG2 THR 73 -27.530 36.739 11.953 568 HG23 THR 73 3HG2 THR 73 -26.393 36.341 10.643 569 H LEU 74 H LEU 74 -30.100 33.630 11.599 570 HA LEU 74 HA LEU 74 -30.120 30.767 11.761 571 HB2 LEU 74 1HB LEU 74 -32.072 32.782 10.873 572 HB3 LEU 74 2HB LEU 74 -32.603 31.097 11.081 573 HG LEU 74 HG LEU 74 -31.537 32.938 13.258 574 HD11 LEU 74 1HD1 LEU 74 -33.868 32.779 14.171 575 HD12 LEU 74 2HD1 LEU 74 -33.860 33.487 12.540 576 HD13 LEU 74 3HD1 LEU 74 -34.333 31.788 12.770 577 HD21 LEU 74 3HD2 LEU 74 -30.875 30.637 13.638 578 HD22 LEU 74 1HD2 LEU 74 -32.127 31.109 14.811 579 HD23 LEU 74 2HD2 LEU 74 -32.553 30.087 13.417 580 H ASP 75 H ASP 75 -30.005 32.964 9.045 581 HA ASP 75 HA ASP 75 -30.550 30.873 7.065 582 HB2 ASP 75 1HB ASP 75 -29.378 33.703 6.763 583 HB3 ASP 75 2HB ASP 75 -29.647 32.449 5.527 584 H ASP 76 H ASP 76 -27.851 31.801 8.956 585 HA ASP 76 HA ASP 76 -25.945 30.484 7.083 586 HB2 ASP 76 1HB ASP 76 -25.369 31.908 9.754 587 HB3 ASP 76 2HB ASP 76 -24.291 31.144 8.560 588 H ASP 77 H ASP 77 -27.857 29.804 9.845 589 HA ASP 77 HA ASP 77 -26.377 27.713 11.063 590 HB2 ASP 77 1HB ASP 77 -28.663 28.651 11.861 591 HB3 ASP 77 2HB ASP 77 -29.261 27.760 10.442 592 H GLY 78 H GLY 78 -25.706 25.807 10.497 593 HA2 GLY 78 1HA GLY 78 -26.947 23.835 9.044 594 HA3 GLY 78 2HA GLY 78 -26.219 24.858 7.783 595 H ASN 79 H ASN 79 -24.976 22.903 7.274 596 HA ASN 79 HA ASN 79 -22.866 22.243 9.298 597 HB2 ASN 79 1HB ASN 79 -23.657 20.401 6.924 598 HB3 ASN 79 2HB ASN 79 -22.510 20.405 8.286 599 HD21 ASN 79 2HD2 ASN 79 -25.603 19.589 7.218 600 HD22 ASN 79 1HD2 ASN 79 -26.290 19.134 8.742 601 H TYR 80 H TYR 80 -21.134 23.423 9.033 602 HA TYR 80 HA TYR 80 -20.216 24.178 6.328 603 HB2 TYR 80 1HB TYR 80 -19.103 24.654 9.099 604 HB3 TYR 80 2HB TYR 80 -18.354 25.238 7.591 605 HD1 TYR 80 HD1 TYR 80 -21.507 25.437 9.597 606 HD2 TYR 80 HD2 TYR 80 -19.021 27.297 6.673 607 HE1 TYR 80 HE1 TYR 80 -22.934 27.459 9.679 608 HE2 TYR 80 HE2 TYR 80 -20.435 29.321 6.743 609 HH TYR 80 HH TYR 80 -23.491 29.431 8.377 610 H THR 81 H THR 81 -20.022 21.918 5.640 611 HA THR 81 HA THR 81 -18.238 20.113 7.009 612 HB THR 81 HB THR 81 -19.165 20.062 4.108 613 HG1 THR 81 HG1 THR 81 -20.753 18.606 4.987 614 HG21 THR 81 1HG2 THR 81 -18.679 17.645 4.264 615 HG22 THR 81 2HG2 THR 81 -17.214 18.614 4.554 616 HG23 THR 81 3HG2 THR 81 -18.077 17.874 5.922 617 H ILE 82 H ILE 82 -16.154 19.765 6.930 618 HA ILE 82 HA ILE 82 -14.540 21.387 4.985 619 HB ILE 82 HB ILE 82 -13.861 21.869 7.251 620 HG12 ILE 82 1HG1 ILE 82 -11.985 19.817 6.104 621 HG13 ILE 82 2HG1 ILE 82 -12.109 21.515 5.592 622 HG21 ILE 82 1HG2 ILE 82 -13.232 20.083 8.840 623 HG22 ILE 82 2HG2 ILE 82 -14.934 19.929 8.345 624 HG23 ILE 82 3HG2 ILE 82 -13.704 18.853 7.643 625 HD11 ILE 82 3HD1 ILE 82 -11.313 20.548 8.360 626 HD12 ILE 82 1HD1 ILE 82 -10.207 21.186 7.122 627 HD13 ILE 82 2HD1 ILE 82 -11.438 22.247 7.847 628 H MET 83 H MET 83 -13.102 20.566 3.647 629 HA MET 83 HA MET 83 -12.772 17.592 3.636 630 HB2 MET 83 1HB MET 83 -14.536 18.211 2.043 631 HB3 MET 83 2HB MET 83 -13.401 19.327 1.244 632 HG2 MET 83 1HG MET 83 -11.963 17.440 0.634 633 HG3 MET 83 2HG MET 83 -13.073 16.318 1.455 634 HE1 MET 83 3HE MET 83 -15.930 17.175 0.725 635 HE2 MET 83 1HE MET 83 -16.215 16.307 -0.803 636 HE3 MET 83 2HE MET 83 -15.337 15.508 0.523 637 H ALA 84 H ALA 84 -10.746 17.126 3.838 638 HA ALA 84 HA ALA 84 -8.719 19.072 2.888 639 HB1 ALA 84 3HB ALA 84 -8.433 16.557 4.569 640 HB2 ALA 84 1HB ALA 84 -7.124 17.694 4.166 641 HB3 ALA 84 2HB ALA 84 -8.488 18.227 5.179 642 H ALA 85 H ALA 85 -8.686 18.842 0.699 643 HA ALA 85 HA ALA 85 -8.343 16.100 -0.389 644 HB1 ALA 85 3HB ALA 85 -8.917 18.735 -1.785 645 HB2 ALA 85 1HB ALA 85 -8.823 17.143 -2.570 646 HB3 ALA 85 2HB ALA 85 -10.111 17.478 -1.389 647 H ASN 86 H ASN 86 -6.464 15.334 -0.983 648 HA ASN 86 HA ASN 86 -4.497 17.198 -2.218 649 HB2 ASN 86 1HB ASN 86 -2.667 16.672 -0.666 650 HB3 ASN 86 2HB ASN 86 -4.256 16.748 0.131 651 HD21 ASN 86 2HD2 ASN 86 -2.108 15.504 1.299 652 HD22 ASN 86 1HD2 ASN 86 -2.395 13.796 1.369 653 HA PRO 87 HA PRO 87 -3.558 14.241 -5.173 654 HB2 PRO 87 1HB PRO 87 -0.761 13.769 -4.052 655 HB3 PRO 87 2HB PRO 87 -1.226 14.254 -5.689 656 HG2 PRO 87 1HG PRO 87 -0.191 16.071 -4.039 657 HG3 PRO 87 2HG PRO 87 -1.555 16.520 -5.072 658 HD2 PRO 87 1HD PRO 87 -1.556 15.859 -2.100 659 HD3 PRO 87 2HD PRO 87 -2.476 17.099 -2.961 660 H GLN 88 H GLN 88 -2.955 13.286 -1.889 661 HA GLN 88 HA GLN 88 -2.632 10.444 -2.705 662 HB2 GLN 88 1HB GLN 88 -2.490 11.761 0.019 663 HB3 GLN 88 2HB GLN 88 -2.087 10.069 -0.361 664 HG2 GLN 88 1HG GLN 88 -0.331 12.533 -1.202 665 HG3 GLN 88 2HG GLN 88 -0.249 11.180 -0.049 666 HE21 GLN 88 2HE2 GLN 88 0.744 12.276 -3.028 667 HE22 GLN 88 1HE2 GLN 88 1.127 10.761 -3.778 668 H GLY 89 H GLY 89 -5.130 12.508 -2.020 669 HA2 GLY 89 1HA GLY 89 -7.281 11.006 -2.239 670 HA3 GLY 89 2HA GLY 89 -6.751 10.431 -0.643 671 H ARG 90 H ARG 90 -8.888 11.253 0.018 672 HA ARG 90 HA ARG 90 -8.637 14.025 1.009 673 HB2 ARG 90 1HB ARG 90 -10.665 14.826 0.219 674 HB3 ARG 90 2HB ARG 90 -9.637 14.337 -1.149 675 HG2 ARG 90 1HG ARG 90 -10.953 12.287 -1.418 676 HG3 ARG 90 2HG ARG 90 -11.967 12.747 -0.030 677 HD2 ARG 90 1HD ARG 90 -12.676 14.739 -1.276 678 HD3 ARG 90 2HD ARG 90 -11.758 14.140 -2.678 679 HE ARG 90 HE ARG 90 -13.719 12.124 -1.977 680 HH11 ARG 90 1HH1 ARG 90 -13.648 15.382 -3.218 681 HH12 ARG 90 2HH1 ARG 90 -15.134 15.085 -4.098 682 HH21 ARG 90 1HH2 ARG 90 -15.427 11.771 -2.972 683 HH22 ARG 90 2HH2 ARG 90 -16.150 13.027 -3.957 684 H VAL 91 H VAL 91 -10.175 14.580 2.628 685 HA VAL 91 HA VAL 91 -11.934 12.434 3.677 686 HB VAL 91 HB VAL 91 -9.698 11.991 4.757 687 HG11 VAL 91 1HG1 VAL 91 -8.873 13.634 6.409 688 HG12 VAL 91 2HG1 VAL 91 -8.862 14.318 4.767 689 HG13 VAL 91 3HG1 VAL 91 -10.146 14.773 5.913 690 HG21 VAL 91 3HG2 VAL 91 -11.765 11.389 5.869 691 HG22 VAL 91 1HG2 VAL 91 -10.551 11.941 7.047 692 HG23 VAL 91 2HG2 VAL 91 -11.884 13.020 6.572 693 H SER 92 H SER 92 -13.618 13.103 4.804 694 HA SER 92 HA SER 92 -14.010 16.113 4.857 695 HB2 SER 92 1HB SER 92 -16.223 15.801 4.274 696 HB3 SER 92 2HB SER 92 -15.129 15.123 3.047 697 HG SER 92 HG SER 92 -16.902 13.750 3.513 698 H CYS 93 H CYS 93 -15.280 16.949 6.514 699 HA CYS 93 HA CYS 93 -16.341 15.122 8.650 700 HB2 CYS 93 1HB CYS 93 -13.955 15.562 9.138 701 HB3 CYS 93 2HB CYS 93 -14.247 17.312 8.999 702 HG CYS 93 HG CYS 93 -15.549 15.195 11.120 703 H THR 94 H THR 94 -18.150 15.930 9.550 704 HA THR 94 HA THR 94 -19.400 18.228 8.294 705 HB THR 94 HB THR 94 -20.258 16.672 10.768 706 HG1 THR 94 HG1 THR 94 -21.594 15.574 9.213 707 HG21 THR 94 1HG2 THR 94 -22.501 17.551 10.220 708 HG22 THR 94 2HG2 THR 94 -21.354 18.875 10.538 709 HG23 THR 94 3HG2 THR 94 -21.808 18.473 8.866 710 H GLY 95 H GLY 95 -19.389 20.268 8.781 711 HA2 GLY 95 1HA GLY 95 -18.197 21.087 11.386 712 HA3 GLY 95 2HA GLY 95 -18.357 22.113 9.940 713 H ARG 96 H ARG 96 -20.554 20.126 11.971 714 HA ARG 96 HA ARG 96 -22.895 21.619 11.450 715 HB2 ARG 96 1HB ARG 96 -22.873 19.424 12.446 716 HB3 ARG 96 2HB ARG 96 -22.242 20.129 13.953 717 HG2 ARG 96 1HG ARG 96 -24.266 21.421 14.256 718 HG3 ARG 96 2HG ARG 96 -24.888 20.882 12.677 719 HD2 ARG 96 1HD ARG 96 -24.953 18.593 13.525 720 HD3 ARG 96 2HD ARG 96 -24.426 19.193 15.114 721 HE ARG 96 HE ARG 96 -26.944 20.482 14.362 722 HH11 ARG 96 1HH1 ARG 96 -25.694 17.417 15.460 723 HH12 ARG 96 2HH1 ARG 96 -27.226 17.063 16.232 724 HH21 ARG 96 1HH2 ARG 96 -28.708 20.087 15.235 725 HH22 ARG 96 2HH2 ARG 96 -28.946 18.583 16.104 726 H LEU 97 H LEU 97 -23.209 23.691 11.663 727 HA LEU 97 HA LEU 97 -22.573 24.873 14.342 728 HB2 LEU 97 1HB LEU 97 -21.171 25.785 12.821 729 HB3 LEU 97 2HB LEU 97 -22.384 26.169 11.577 730 HG LEU 97 HG LEU 97 -23.438 27.761 13.221 731 HD11 LEU 97 1HD1 LEU 97 -22.013 28.517 15.142 732 HD12 LEU 97 2HD1 LEU 97 -22.438 26.796 15.291 733 HD13 LEU 97 3HD1 LEU 97 -20.817 27.268 14.726 734 HD21 LEU 97 3HD2 LEU 97 -22.022 28.562 11.424 735 HD22 LEU 97 1HD2 LEU 97 -21.765 29.547 12.883 736 HD23 LEU 97 2HD2 LEU 97 -20.568 28.314 12.419 737 H MET 98 H MET 98 -24.348 24.979 15.462 738 HA MET 98 HA MET 98 -26.917 25.563 14.053 739 HB2 MET 98 1HB MET 98 -26.334 24.641 16.869 740 HB3 MET 98 2HB MET 98 -27.950 24.902 16.171 741 HG2 MET 98 1HG MET 98 -25.919 22.866 15.205 742 HG3 MET 98 2HG MET 98 -27.315 22.509 16.251 743 HE1 MET 98 3HE MET 98 -29.654 24.214 15.118 744 HE2 MET 98 1HE MET 98 -30.361 23.115 13.908 745 HE3 MET 98 2HE MET 98 -29.796 22.475 15.471 746 H VAL 99 H VAL 99 -28.217 27.242 14.505 747 HA VAL 99 HA VAL 99 -26.970 29.437 16.158 748 HB VAL 99 HB VAL 99 -28.674 29.669 13.641 749 HG11 VAL 99 1HG1 VAL 99 -28.181 32.083 13.840 750 HG12 VAL 99 2HG1 VAL 99 -29.059 31.489 15.269 751 HG13 VAL 99 3HG1 VAL 99 -27.306 31.780 15.359 752 HG21 VAL 99 3HG2 VAL 99 -26.436 28.902 13.115 753 HG22 VAL 99 1HG2 VAL 99 -26.665 30.588 12.595 754 HG23 VAL 99 2HG2 VAL 99 -25.735 30.230 14.070 755 H GLN 100 H GLN 100 -27.981 30.046 17.848 756 HA GLN 100 HA GLN 100 -30.799 29.286 18.256 757 HB2 GLN 100 1HB GLN 100 -29.397 29.122 20.153 758 HB3 GLN 100 2HB GLN 100 -28.729 30.749 19.883 759 HG2 GLN 100 1HG GLN 100 -30.452 31.104 21.766 760 HG3 GLN 100 2HG GLN 100 -30.919 31.566 20.113 761 HE21 GLN 100 2HE2 GLN 100 -33.123 31.412 20.453 762 HE22 GLN 100 1HE2 GLN 100 -33.931 29.905 20.731 763 H ALA 101 H ALA 101 -32.463 30.380 17.623 764 HA ALA 101 HA ALA 101 -32.307 32.941 16.398 765 HB1 ALA 101 3HB ALA 101 -34.692 31.567 17.684 766 HB2 ALA 101 1HB ALA 101 -34.765 32.950 16.568 767 HB3 ALA 101 2HB ALA 101 -34.157 31.376 15.997 768 H VAL 102 H VAL 102 -32.372 34.963 17.080 769 HA VAL 102 HA VAL 102 -32.930 35.453 20.003 770 HB VAL 102 HB VAL 102 -31.006 36.941 18.166 771 HG11 VAL 102 1HG1 VAL 102 -30.399 38.170 20.224 772 HG12 VAL 102 2HG1 VAL 102 -32.119 38.396 19.827 773 HG13 VAL 102 3HG1 VAL 102 -31.644 37.274 21.126 774 HG21 VAL 102 3HG2 VAL 102 -30.120 34.773 18.782 775 HG22 VAL 102 1HG2 VAL 102 -29.243 36.075 19.619 776 HG23 VAL 102 2HG2 VAL 102 -30.447 35.105 20.500 777 H ASN 103 H ASN 103 -34.784 36.330 20.296 778 HA ASN 103 HA ASN 103 -36.195 37.644 18.119 779 HB2 ASN 103 1HB ASN 103 -37.087 37.415 21.089 780 HB3 ASN 103 2HB ASN 103 -37.725 38.196 19.622 781 HD21 ASN 103 2HD2 ASN 103 -38.710 35.973 21.345 782 HD22 ASN 103 1HD2 ASN 103 -39.021 34.665 20.253 783 H GLN 104 H GLN 104 -33.980 38.701 20.507 784 HA GLN 104 HA GLN 104 -34.957 41.498 20.410 785 HB2 GLN 104 1HB GLN 104 -32.550 40.254 21.762 786 HB3 GLN 104 2HB GLN 104 -33.104 41.934 21.950 787 HG2 GLN 104 1HG GLN 104 -34.625 39.443 23.114 788 HG3 GLN 104 2HG GLN 104 -33.626 40.782 23.728 789 HE21 GLN 104 2HE2 GLN 104 -36.739 39.706 23.255 790 HE22 GLN 104 1HE2 GLN 104 -37.575 41.222 23.295 791 H ARG 105 H ARG 105 -33.103 39.544 18.478 792 HA ARG 105 HA ARG 105 -30.999 41.411 17.754 793 HB2 ARG 105 1HB ARG 105 -30.738 39.079 17.388 794 HB3 ARG 105 2HB ARG 105 -32.117 39.076 16.263 795 HG2 ARG 105 1HG ARG 105 -30.111 39.059 14.953 796 HG3 ARG 105 2HG ARG 105 -30.843 40.676 14.814 797 HD2 ARG 105 1HD ARG 105 -28.511 40.922 15.009 798 HD3 ARG 105 2HD ARG 105 -29.258 41.461 16.531 799 HE ARG 105 HE ARG 105 -28.207 38.708 16.752 800 HH11 ARG 105 1HH1 ARG 105 -27.287 42.069 16.874 801 HH12 ARG 105 2HH1 ARG 105 -25.942 41.669 17.922 802 HH21 ARG 105 1HH2 ARG 105 -26.665 38.233 17.945 803 HH22 ARG 105 2HH2 ARG 105 -25.584 39.481 18.534 804 H GLY 106 H GLY 106 -31.341 43.331 16.968 805 HA2 GLY 106 1HA GLY 106 -33.811 44.028 15.618 806 HA3 GLY 106 2HA GLY 106 -32.390 45.075 15.852 807 H ARG 107 H ARG 107 -30.811 42.698 14.611 808 HA ARG 107 HA ARG 107 -31.128 43.671 11.813 809 HB2 ARG 107 1HB ARG 107 -28.950 42.077 13.088 810 HB3 ARG 107 2HB ARG 107 -29.035 42.558 11.377 811 HG2 ARG 107 1HG ARG 107 -28.985 44.927 12.043 812 HG3 ARG 107 2HG ARG 107 -28.888 44.440 13.753 813 HD2 ARG 107 1HD ARG 107 -26.757 43.361 13.304 814 HD3 ARG 107 2HD ARG 107 -26.852 43.907 11.613 815 HE ARG 107 HE ARG 107 -26.895 46.279 13.240 816 HH11 ARG 107 1HH1 ARG 107 -24.694 43.640 12.647 817 HH12 ARG 107 2HH1 ARG 107 -23.331 44.700 12.952 818 HH21 ARG 107 1HH2 ARG 107 -25.347 47.503 13.601 819 HH22 ARG 107 2HH2 ARG 107 -23.702 46.903 13.497 820 H SER 108 H SER 108 -32.475 41.318 13.619 821 HA SER 108 HA SER 108 -32.125 38.873 12.129 822 HB2 SER 108 1HB SER 108 -32.958 38.936 14.324 823 HB3 SER 108 2HB SER 108 -34.430 39.756 13.756 824 HG SER 108 HG SER 108 -33.508 37.160 13.112
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