NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591815 | 2n49 | 15843 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 4.179 12.734 5.499 2 H2 MET 1 2H MET 1 3.529 11.829 6.693 3 H3 MET 1 3H MET 1 5.143 11.815 6.445 4 HA MET 1 HA MET 1 3.099 10.822 4.615 5 HB2 MET 1 2HB MET 1 6.147 10.891 4.433 6 HB3 MET 1 3HB MET 1 5.120 9.908 3.381 7 HG2 MET 1 2HG MET 1 4.034 11.921 2.483 8 HG3 MET 1 3HG MET 1 4.924 12.948 3.615 9 HE1 MET 1 3HE MET 1 5.711 14.450 1.547 10 HE2 MET 1 1HE MET 1 6.546 13.790 0.101 11 HE3 MET 1 2HE MET 1 4.831 13.363 0.420 12 H ALA 2 H ALA 2 3.134 10.126 7.423 13 HA ALA 2 HA ALA 2 3.935 7.313 7.155 14 HB1 ALA 2 3HB ALA 2 4.488 9.140 9.545 15 HB2 ALA 2 1HB ALA 2 4.749 7.363 9.501 16 HB3 ALA 2 2HB ALA 2 5.713 8.439 8.434 17 H MET 3 H MET 3 1.683 6.793 6.778 18 HA MET 3 HA MET 3 -0.055 7.379 9.095 19 HB2 MET 3 2HB MET 3 -0.742 7.140 6.127 20 HB3 MET 3 3HB MET 3 -1.925 7.309 7.431 21 HG2 MET 3 2HG MET 3 -0.970 9.527 8.021 22 HG3 MET 3 3HG MET 3 0.234 9.357 6.737 23 HE1 MET 3 3HE MET 3 -0.453 11.643 6.075 24 HE2 MET 3 1HE MET 3 -1.868 12.048 5.047 25 HE3 MET 3 2HE MET 3 -2.048 11.972 6.832 26 H ASN 4 H ASN 4 -1.734 5.722 9.550 27 HA ASN 4 HA ASN 4 -0.652 3.070 8.914 28 HB2 ASN 4 2HB ASN 4 -2.449 4.071 11.152 29 HB3 ASN 4 3HB ASN 4 -2.097 2.362 10.860 30 HD21 ASN 4 1HD2 ASN 4 -1.528 3.864 13.201 31 HD22 ASN 4 2HD2 ASN 4 0.183 3.755 13.449 32 H GLY 5 H GLY 5 -2.153 1.295 8.366 33 HA2 GLY 5 2HA GLY 5 -4.908 1.871 7.874 34 HA3 GLY 5 3HA GLY 5 -3.960 1.906 6.381 35 H THR 6 H THR 6 -5.550 -0.008 5.946 36 HA THR 6 HA THR 6 -4.206 -2.454 6.795 37 HB THR 6 HB THR 6 -6.107 -2.173 8.350 38 HG1 THR 6 HG1 THR 6 -5.546 -4.312 7.400 39 HG21 THR 6 3HG2 THR 6 -7.809 -2.085 5.810 40 HG22 THR 6 1HG2 THR 6 -8.433 -2.165 7.493 41 HG23 THR 6 2HG2 THR 6 -7.520 -0.720 6.941 42 H ILE 7 H ILE 7 -4.456 -4.231 5.270 43 HA ILE 7 HA ILE 7 -5.032 -3.332 2.609 44 HB ILE 7 HB ILE 7 -4.225 -6.053 3.757 45 HG12 ILE 7 2HG1 ILE 7 -2.611 -4.022 2.146 46 HG13 ILE 7 3HG1 ILE 7 -2.582 -4.124 3.911 47 HG21 ILE 7 1HG2 ILE 7 -3.740 -6.689 1.416 48 HG22 ILE 7 2HG2 ILE 7 -5.483 -6.336 1.666 49 HG23 ILE 7 3HG2 ILE 7 -4.430 -5.129 0.853 50 HD11 ILE 7 3HD1 ILE 7 -1.775 -6.349 1.984 51 HD12 ILE 7 1HD1 ILE 7 -0.665 -5.297 2.926 52 HD13 ILE 7 2HD1 ILE 7 -1.746 -6.453 3.777 53 H THR 8 H THR 8 -6.984 -3.523 1.543 54 HA THR 8 HA THR 8 -9.035 -5.095 2.911 55 HB THR 8 HB THR 8 -10.637 -3.773 1.540 56 HG1 THR 8 HG1 THR 8 -9.748 -1.976 0.288 57 HG21 THR 8 3HG2 THR 8 -8.552 -2.067 2.986 58 HG22 THR 8 1HG2 THR 8 -10.234 -1.570 2.599 59 HG23 THR 8 2HG2 THR 8 -9.938 -2.919 3.747 60 H THR 9 H THR 9 -7.306 -4.697 -0.239 61 HA THR 9 HA THR 9 -8.261 -7.374 -0.879 62 HB THR 9 HB THR 9 -8.292 -5.031 -2.854 63 HG1 THR 9 HG1 THR 9 -10.610 -5.493 -2.848 64 HG21 THR 9 3HG2 THR 9 -9.046 -7.975 -3.195 65 HG22 THR 9 1HG2 THR 9 -9.255 -6.685 -4.427 66 HG23 THR 9 2HG2 THR 9 -7.607 -7.160 -3.896 67 H TRP 10 H TRP 10 -6.755 -8.593 -2.222 68 HA TRP 10 HA TRP 10 -4.190 -7.264 -2.722 69 HB2 TRP 10 2HB TRP 10 -4.166 -8.291 -0.411 70 HB3 TRP 10 3HB TRP 10 -4.513 -9.863 -1.142 71 HD1 TRP 10 HD1 TRP 10 -2.509 -11.156 -2.323 72 HE1 TRP 10 HE1 TRP 10 0.044 -10.753 -2.420 73 HE3 TRP 10 HE3 TRP 10 -2.385 -6.342 -0.528 74 HZ2 TRP 10 HZ2 TRP 10 1.863 -8.692 -1.825 75 HZ3 TRP 10 HZ3 TRP 10 -0.180 -5.206 -0.319 76 HH2 TRP 10 HH2 TRP 10 1.892 -6.344 -0.953 77 H PHE 11 H PHE 11 -3.441 -7.807 -4.735 78 HA PHE 11 HA PHE 11 -4.381 -10.379 -5.839 79 HB2 PHE 11 2HB PHE 11 -3.575 -7.784 -7.241 80 HB3 PHE 11 3HB PHE 11 -3.948 -9.303 -8.067 81 HD1 PHE 11 HD1 PHE 11 -6.270 -10.233 -7.989 82 HD2 PHE 11 HD2 PHE 11 -5.312 -6.362 -6.389 83 HE1 PHE 11 HE1 PHE 11 -8.669 -9.628 -8.015 84 HE2 PHE 11 HE2 PHE 11 -7.713 -5.759 -6.416 85 HZ PHE 11 HZ PHE 11 -9.396 -7.390 -7.227 86 H LYS 12 H LYS 12 -2.611 -11.591 -4.875 87 HA LYS 12 HA LYS 12 0.060 -10.735 -5.019 88 HB2 LYS 12 2HB LYS 12 0.595 -12.971 -4.307 89 HB3 LYS 12 3HB LYS 12 -0.874 -12.463 -3.464 90 HG2 LYS 12 2HG LYS 12 -2.254 -13.780 -5.075 91 HG3 LYS 12 3HG LYS 12 -0.785 -14.288 -5.918 92 HD2 LYS 12 2HD LYS 12 0.054 -15.339 -3.794 93 HD3 LYS 12 3HD LYS 12 -1.440 -14.859 -2.978 94 HE2 LYS 12 2HE LYS 12 -2.764 -16.203 -4.632 95 HE3 LYS 12 3HE LYS 12 -1.262 -16.697 -5.423 96 HZ1 LYS 12 3HZ LYS 12 -1.980 -17.281 -2.622 97 HZ2 LYS 12 1HZ LYS 12 -2.021 -18.343 -3.861 98 HZ3 LYS 12 2HZ LYS 12 -0.593 -17.737 -3.352 99 H ASP 13 H ASP 13 -2.070 -12.313 -7.406 100 HA ASP 13 HA ASP 13 0.032 -13.299 -9.047 101 HB2 ASP 13 2HB ASP 13 -2.909 -12.635 -9.495 102 HB3 ASP 13 3HB ASP 13 -1.869 -13.237 -10.793 103 H LYS 14 H LYS 14 -1.522 -10.106 -8.615 104 HA LYS 14 HA LYS 14 -0.212 -9.178 -11.078 105 HB2 LYS 14 2HB LYS 14 -2.389 -7.955 -9.316 106 HB3 LYS 14 3HB LYS 14 -1.673 -7.158 -10.723 107 HG2 LYS 14 2HG LYS 14 -2.500 -9.010 -12.187 108 HG3 LYS 14 3HG LYS 14 -3.225 -9.795 -10.778 109 HD2 LYS 14 2HD LYS 14 -4.647 -7.773 -10.381 110 HD3 LYS 14 3HD LYS 14 -3.919 -6.984 -11.785 111 HE2 LYS 14 2HE LYS 14 -4.751 -8.854 -13.246 112 HE3 LYS 14 3HE LYS 14 -5.514 -9.600 -11.836 113 HZ1 LYS 14 3HZ LYS 14 -6.154 -6.923 -12.898 114 HZ2 LYS 14 1HZ LYS 14 -7.065 -8.266 -13.077 115 HZ3 LYS 14 2HZ LYS 14 -6.858 -7.612 -11.596 116 H GLY 15 H GLY 15 0.171 -9.242 -7.607 117 HA2 GLY 15 2HA GLY 15 2.026 -8.587 -6.504 118 HA3 GLY 15 3HA GLY 15 2.647 -7.858 -7.990 119 H PHE 16 H PHE 16 -0.583 -7.002 -6.619 120 HA PHE 16 HA PHE 16 0.552 -4.896 -5.008 121 HB2 PHE 16 2HB PHE 16 -0.582 -3.065 -6.104 122 HB3 PHE 16 3HB PHE 16 0.461 -3.866 -7.286 123 HD1 PHE 16 HD1 PHE 16 -3.030 -3.262 -6.242 124 HD2 PHE 16 HD2 PHE 16 -0.475 -5.104 -9.163 125 HE1 PHE 16 HE1 PHE 16 -4.967 -3.545 -7.760 126 HE2 PHE 16 HE2 PHE 16 -2.410 -5.382 -10.681 127 HZ PHE 16 HZ PHE 16 -4.660 -4.604 -9.981 128 H GLY 17 H GLY 17 -1.312 -3.667 -3.831 129 HA2 GLY 17 2HA GLY 17 -3.850 -5.125 -3.908 130 HA3 GLY 17 3HA GLY 17 -2.959 -5.114 -2.380 131 H PHE 18 H PHE 18 -5.217 -3.994 -1.853 132 HA PHE 18 HA PHE 18 -4.999 -1.120 -2.496 133 HB2 PHE 18 2HB PHE 18 -7.413 -2.962 -2.210 134 HB3 PHE 18 3HB PHE 18 -7.548 -1.201 -2.116 135 HD1 PHE 18 HD1 PHE 18 -6.751 -4.066 -4.325 136 HD2 PHE 18 HD2 PHE 18 -7.313 0.187 -4.087 137 HE1 PHE 18 HE1 PHE 18 -6.871 -3.941 -6.795 138 HE2 PHE 18 HE2 PHE 18 -7.435 0.309 -6.556 139 HZ PHE 18 HZ PHE 18 -7.214 -1.757 -7.914 140 H ILE 19 H ILE 19 -5.189 0.363 -0.795 141 HA ILE 19 HA ILE 19 -5.734 -0.794 1.841 142 HB ILE 19 HB ILE 19 -3.370 0.994 1.075 143 HG12 ILE 19 2HG1 ILE 19 -3.458 -1.781 2.347 144 HG13 ILE 19 3HG1 ILE 19 -3.173 -1.480 0.628 145 HG21 ILE 19 1HG2 ILE 19 -2.786 0.936 3.477 146 HG22 ILE 19 2HG2 ILE 19 -4.367 1.739 3.193 147 HG23 ILE 19 3HG2 ILE 19 -4.314 0.058 3.823 148 HD11 ILE 19 3HD1 ILE 19 -1.425 -0.490 2.926 149 HD12 ILE 19 1HD1 ILE 19 -1.062 -1.859 1.822 150 HD13 ILE 19 2HD1 ILE 19 -1.135 -0.183 1.180 151 H LYS 20 H LYS 20 -6.819 0.623 3.292 152 HA LYS 20 HA LYS 20 -8.000 2.934 1.970 153 HB2 LYS 20 2HB LYS 20 -9.395 1.231 3.157 154 HB3 LYS 20 3HB LYS 20 -8.559 1.610 4.669 155 HG2 LYS 20 2HG LYS 20 -9.416 3.947 4.564 156 HG3 LYS 20 3HG LYS 20 -10.238 3.583 3.041 157 HD2 LYS 20 2HD LYS 20 -11.574 1.801 4.199 158 HD3 LYS 20 3HD LYS 20 -10.762 2.190 5.721 159 HE2 LYS 20 2HE LYS 20 -11.636 4.535 5.582 160 HE3 LYS 20 3HE LYS 20 -12.459 4.134 4.069 161 HZ1 LYS 20 3HZ LYS 20 -12.982 2.861 6.679 162 HZ2 LYS 20 1HZ LYS 20 -13.932 3.968 5.948 163 HZ3 LYS 20 2HZ LYS 20 -13.742 2.490 5.282 164 H ASP 21 H ASP 21 -7.301 5.006 2.302 165 HA ASP 21 HA ASP 21 -5.116 5.438 4.102 166 HB2 ASP 21 2HB ASP 21 -5.550 6.513 1.796 167 HB3 ASP 21 3HB ASP 21 -6.768 7.513 2.598 168 H GLU 22 H GLU 22 -5.068 6.686 6.038 169 HA GLU 22 HA GLU 22 -7.264 6.865 7.683 170 HB2 GLU 22 2HB GLU 22 -4.793 8.644 7.445 171 HB3 GLU 22 3HB GLU 22 -5.947 8.744 8.781 172 HG2 GLU 22 2HG GLU 22 -5.452 6.394 9.408 173 HG3 GLU 22 3HG GLU 22 -4.333 6.253 8.046 174 H ASN 23 H ASN 23 -6.543 8.765 4.798 175 HA ASN 23 HA ASN 23 -8.237 10.954 5.681 176 HB2 ASN 23 2HB ASN 23 -6.676 10.443 3.123 177 HB3 ASN 23 3HB ASN 23 -7.683 11.869 3.405 178 HD21 ASN 23 1HD2 ASN 23 -4.631 10.814 3.396 179 HD22 ASN 23 2HD2 ASN 23 -3.917 11.955 4.487 180 H GLY 24 H GLY 24 -8.751 7.845 4.390 181 HA2 GLY 24 2HA GLY 24 -10.884 7.064 3.952 182 HA3 GLY 24 3HA GLY 24 -11.415 8.700 3.536 183 H ASP 25 H ASP 25 -8.394 8.188 2.019 184 HA ASP 25 HA ASP 25 -9.742 7.840 -0.528 185 HB2 ASP 25 2HB ASP 25 -6.881 8.447 0.335 186 HB3 ASP 25 3HB ASP 25 -7.317 8.133 -1.350 187 H ASN 26 H ASN 26 -9.935 5.908 -1.593 188 HA ASN 26 HA ASN 26 -8.433 3.648 -0.523 189 HB2 ASN 26 2HB ASN 26 -10.880 3.459 -0.832 190 HB3 ASN 26 3HB ASN 26 -10.691 3.784 -2.560 191 HD21 ASN 26 1HD2 ASN 26 -11.919 1.523 -1.563 192 HD22 ASN 26 2HD2 ASN 26 -10.993 0.147 -2.060 193 H ARG 27 H ARG 27 -6.450 3.213 -1.426 194 HA ARG 27 HA ARG 27 -6.174 3.611 -4.311 195 HB2 ARG 27 2HB ARG 27 -4.331 4.836 -2.243 196 HB3 ARG 27 3HB ARG 27 -4.000 4.732 -3.977 197 HG2 ARG 27 2HG ARG 27 -6.396 6.178 -2.768 198 HG3 ARG 27 3HG ARG 27 -4.864 6.958 -3.180 199 HD2 ARG 27 2HD ARG 27 -5.177 6.191 -5.535 200 HD3 ARG 27 3HD ARG 27 -6.770 5.574 -5.076 201 HE ARG 27 HE ARG 27 -5.994 8.369 -5.438 202 HH11 ARG 27 1HH1 ARG 27 -8.444 6.131 -4.280 203 HH12 ARG 27 2HH1 ARG 27 -9.702 7.321 -4.297 204 HH21 ARG 27 1HH2 ARG 27 -7.618 9.879 -5.467 205 HH22 ARG 27 2HH2 ARG 27 -9.230 9.474 -4.979 206 H TYR 28 H TYR 28 -3.952 2.669 -5.074 207 HA TYR 28 HA TYR 28 -3.762 0.080 -3.675 208 HB2 TYR 28 2HB TYR 28 -3.218 -0.860 -5.863 209 HB3 TYR 28 3HB TYR 28 -4.759 0.005 -5.939 210 HD1 TYR 28 HD1 TYR 28 -4.940 2.152 -7.156 211 HD2 TYR 28 HD2 TYR 28 -1.260 -0.055 -7.078 212 HE1 TYR 28 HE1 TYR 28 -4.098 3.497 -9.055 213 HE2 TYR 28 HE2 TYR 28 -0.410 1.287 -8.977 214 HH TYR 28 HH TYR 28 -0.817 2.908 -10.421 215 H PHE 29 H PHE 29 -1.694 -0.890 -3.345 216 HA PHE 29 HA PHE 29 0.601 0.811 -4.080 217 HB2 PHE 29 2HB PHE 29 0.142 -0.762 -1.497 218 HB3 PHE 29 3HB PHE 29 1.671 -0.001 -1.955 219 HD1 PHE 29 HD1 PHE 29 1.923 2.439 -1.940 220 HD2 PHE 29 HD2 PHE 29 -1.772 0.575 -0.786 221 HE1 PHE 29 HE1 PHE 29 1.174 4.560 -0.908 222 HE2 PHE 29 HE2 PHE 29 -2.520 2.700 0.242 223 HZ PHE 29 HZ PHE 29 -1.050 4.694 0.185 224 H HIS 30 H HIS 30 2.559 -0.333 -4.647 225 HA HIS 30 HA HIS 30 1.905 -3.043 -5.592 226 HB2 HIS 30 2HB HIS 30 2.517 -1.074 -7.185 227 HB3 HIS 30 3HB HIS 30 4.163 -1.242 -6.561 228 HD2 HIS 30 HD2 HIS 30 1.802 -2.927 -9.125 229 HE1 HIS 30 HE1 HIS 30 5.328 -5.339 -8.851 230 H VAL 31 H VAL 31 3.458 -4.768 -5.356 231 HA VAL 31 HA VAL 31 4.672 -4.788 -2.857 232 HB VAL 31 HB VAL 31 5.691 -6.930 -3.608 233 HG11 VAL 31 1HG1 VAL 31 3.582 -8.108 -4.150 234 HG12 VAL 31 2HG1 VAL 31 3.354 -6.895 -2.845 235 HG13 VAL 31 3HG1 VAL 31 2.801 -6.533 -4.515 236 HG21 VAL 31 3HG2 VAL 31 6.295 -6.271 -5.897 237 HG22 VAL 31 1HG2 VAL 31 5.275 -7.749 -5.906 238 HG23 VAL 31 2HG2 VAL 31 4.557 -6.161 -6.337 239 H ILE 32 H ILE 32 5.891 -3.732 -6.044 240 HA ILE 32 HA ILE 32 8.627 -3.811 -5.347 241 HB ILE 32 HB ILE 32 7.008 -2.221 -7.392 242 HG12 ILE 32 2HG1 ILE 32 9.067 -4.449 -7.741 243 HG13 ILE 32 3HG1 ILE 32 7.325 -4.731 -7.632 244 HG21 ILE 32 1HG2 ILE 32 9.165 -1.538 -8.390 245 HG22 ILE 32 2HG2 ILE 32 8.952 -0.870 -6.736 246 HG23 ILE 32 3HG2 ILE 32 10.036 -2.277 -7.004 247 HD11 ILE 32 3HD1 ILE 32 8.727 -3.045 -9.754 248 HD12 ILE 32 1HD1 ILE 32 8.071 -4.703 -9.969 249 HD13 ILE 32 2HD1 ILE 32 6.958 -3.332 -9.643 250 H LYS 33 H LYS 33 5.947 -1.568 -4.616 251 HA LYS 33 HA LYS 33 7.773 0.598 -3.981 252 HB2 LYS 33 2HB LYS 33 4.742 0.286 -3.736 253 HB3 LYS 33 3HB LYS 33 5.636 1.767 -3.369 254 HG2 LYS 33 2HG LYS 33 6.376 1.953 -5.713 255 HG3 LYS 33 3HG LYS 33 5.614 0.407 -6.109 256 HD2 LYS 33 2HD LYS 33 3.379 1.354 -5.469 257 HD3 LYS 33 3HD LYS 33 4.148 2.903 -5.096 258 HE2 LYS 33 2HE LYS 33 4.962 3.058 -7.466 259 HE3 LYS 33 3HE LYS 33 4.165 1.522 -7.833 260 HZ1 LYS 33 3HZ LYS 33 2.798 3.971 -6.917 261 HZ2 LYS 33 1HZ LYS 33 2.803 3.393 -8.444 262 HZ3 LYS 33 2HZ LYS 33 2.062 2.553 -7.255 263 H VAL 34 H VAL 34 7.149 -2.251 -2.427 264 HA VAL 34 HA VAL 34 6.720 -1.023 0.188 265 HB VAL 34 HB VAL 34 6.764 -3.951 -0.709 266 HG11 VAL 34 1HG1 VAL 34 5.881 -4.437 1.552 267 HG12 VAL 34 2HG1 VAL 34 7.520 -3.705 1.617 268 HG13 VAL 34 3HG1 VAL 34 6.074 -2.708 1.994 269 HG21 VAL 34 3HG2 VAL 34 4.823 -2.707 -1.558 270 HG22 VAL 34 1HG2 VAL 34 4.330 -3.864 -0.276 271 HG23 VAL 34 2HG2 VAL 34 4.464 -2.112 0.099 272 H ALA 35 H ALA 35 8.404 -0.747 1.634 273 HA ALA 35 HA ALA 35 11.050 -1.334 0.787 274 HB1 ALA 35 3HB ALA 35 9.910 -0.468 3.491 275 HB2 ALA 35 1HB ALA 35 11.645 -0.446 3.030 276 HB3 ALA 35 2HB ALA 35 10.476 0.618 2.177 277 H ASN 36 H ASN 36 8.789 -2.869 3.195 278 HA ASN 36 HA ASN 36 10.639 -4.889 3.914 279 HB2 ASN 36 2HB ASN 36 7.619 -4.647 4.051 280 HB3 ASN 36 3HB ASN 36 8.477 -6.102 4.575 281 HD21 ASN 36 1HD2 ASN 36 6.903 -4.626 6.266 282 HD22 ASN 36 2HD2 ASN 36 7.909 -3.970 7.514 283 HA PRO 37 HA PRO 37 10.842 -7.572 0.520 284 HB2 PRO 37 2HB PRO 37 10.031 -9.802 2.459 285 HB3 PRO 37 3HB PRO 37 11.417 -9.754 1.362 286 HG2 PRO 37 2HG PRO 37 11.804 -9.317 3.961 287 HG3 PRO 37 3HG PRO 37 12.667 -8.322 2.781 288 HD2 PRO 37 2HD PRO 37 10.266 -7.607 4.485 289 HD3 PRO 37 3HD PRO 37 11.621 -6.586 3.983 290 H ASP 38 H ASP 38 9.638 -8.192 -1.171 291 HA ASP 38 HA ASP 38 6.823 -8.013 -0.964 292 HB2 ASP 38 2HB ASP 38 6.848 -8.715 -3.305 293 HB3 ASP 38 3HB ASP 38 8.086 -7.485 -3.016 294 H LEU 39 H LEU 39 8.920 -10.479 0.111 295 HA LEU 39 HA LEU 39 7.079 -12.645 -0.543 296 HB2 LEU 39 2HB LEU 39 9.681 -12.533 1.060 297 HB3 LEU 39 3HB LEU 39 8.763 -14.006 0.720 298 HG LEU 39 HG LEU 39 10.045 -12.205 -1.402 299 HD11 LEU 39 1HD1 LEU 39 11.640 -14.068 -1.674 300 HD12 LEU 39 2HD1 LEU 39 11.711 -13.375 -0.018 301 HD13 LEU 39 3HD1 LEU 39 10.865 -14.933 -0.304 302 HD21 LEU 39 3HD2 LEU 39 8.010 -13.364 -2.185 303 HD22 LEU 39 1HD2 LEU 39 9.485 -14.068 -2.931 304 HD23 LEU 39 2HD2 LEU 39 8.663 -14.926 -1.584 305 H ILE 40 H ILE 40 7.171 -10.139 1.746 306 HA ILE 40 HA ILE 40 5.842 -11.873 3.716 307 HB ILE 40 HB ILE 40 7.487 -9.329 4.164 308 HG12 ILE 40 2HG1 ILE 40 7.962 -12.197 5.100 309 HG13 ILE 40 3HG1 ILE 40 8.754 -11.460 3.701 310 HG21 ILE 40 1HG2 ILE 40 7.064 -9.722 6.569 311 HG22 ILE 40 2HG2 ILE 40 5.544 -9.411 5.665 312 HG23 ILE 40 3HG2 ILE 40 5.974 -11.086 6.150 313 HD11 ILE 40 3HD1 ILE 40 8.966 -10.487 6.585 314 HD12 ILE 40 1HD1 ILE 40 10.212 -11.404 5.673 315 HD13 ILE 40 2HD1 ILE 40 9.770 -9.739 5.164 316 H LYS 41 H LYS 41 3.647 -11.506 3.708 317 HA LYS 41 HA LYS 41 2.780 -8.700 3.530 318 HB2 LYS 41 2HB LYS 41 0.893 -9.375 2.126 319 HB3 LYS 41 3HB LYS 41 2.427 -9.737 1.324 320 HG2 LYS 41 2HG LYS 41 2.215 -12.130 1.963 321 HG3 LYS 41 3HG LYS 41 0.703 -11.781 2.811 322 HD2 LYS 41 2HD LYS 41 -0.290 -10.948 0.650 323 HD3 LYS 41 3HD LYS 41 1.212 -11.369 -0.183 324 HE2 LYS 41 2HE LYS 41 0.932 -13.751 0.460 325 HE3 LYS 41 3HE LYS 41 -0.532 -13.352 1.369 326 HZ1 LYS 41 3HZ LYS 41 -0.181 -13.652 -1.456 327 HZ2 LYS 41 1HZ LYS 41 -1.528 -13.818 -0.549 328 HZ3 LYS 41 2HZ LYS 41 -1.061 -12.337 -1.053 329 H LYS 42 H LYS 42 0.884 -8.200 4.783 330 HA LYS 42 HA LYS 42 -0.754 -10.276 5.817 331 HB2 LYS 42 2HB LYS 42 1.187 -10.502 7.363 332 HB3 LYS 42 3HB LYS 42 1.055 -8.789 7.782 333 HG2 LYS 42 2HG LYS 42 0.006 -9.997 9.557 334 HG3 LYS 42 3HG LYS 42 -1.304 -9.258 8.626 335 HD2 LYS 42 2HD LYS 42 -1.641 -11.415 7.394 336 HD3 LYS 42 3HD LYS 42 -0.335 -12.153 8.331 337 HE2 LYS 42 2HE LYS 42 -1.594 -11.755 10.438 338 HE3 LYS 42 3HE LYS 42 -2.885 -10.953 9.534 339 HZ1 LYS 42 3HZ LYS 42 -2.077 -13.771 9.207 340 HZ2 LYS 42 1HZ LYS 42 -3.412 -13.243 9.985 341 HZ3 LYS 42 2HZ LYS 42 -3.269 -13.031 8.372 342 H ASP 43 H ASP 43 -2.783 -9.423 6.448 343 HA ASP 43 HA ASP 43 -3.062 -6.711 5.448 344 HB2 ASP 43 2HB ASP 43 -5.439 -7.268 5.332 345 HB3 ASP 43 3HB ASP 43 -4.474 -8.533 4.559 346 H ALA 44 H ALA 44 -2.257 -7.815 8.452 347 HA ALA 44 HA ALA 44 -4.581 -6.886 9.913 348 HB1 ALA 44 3HB ALA 44 -1.913 -8.091 10.798 349 HB2 ALA 44 1HB ALA 44 -3.321 -7.762 11.864 350 HB3 ALA 44 2HB ALA 44 -3.454 -8.980 10.551 351 H ALA 45 H ALA 45 -1.919 -5.317 8.538 352 HA ALA 45 HA ALA 45 -2.281 -2.923 9.846 353 HB1 ALA 45 3HB ALA 45 0.003 -4.574 11.037 354 HB2 ALA 45 1HB ALA 45 -0.288 -2.825 11.325 355 HB3 ALA 45 2HB ALA 45 -1.483 -4.040 11.892 356 H VAL 46 H VAL 46 -1.487 -1.461 8.386 357 HA VAL 46 HA VAL 46 1.171 -2.049 7.309 358 HB VAL 46 HB VAL 46 -1.219 -0.965 5.732 359 HG11 VAL 46 1HG1 VAL 46 0.343 -0.896 3.813 360 HG12 VAL 46 2HG1 VAL 46 0.858 0.205 5.134 361 HG13 VAL 46 3HG1 VAL 46 1.692 -1.368 4.900 362 HG21 VAL 46 3HG2 VAL 46 -1.270 -3.404 6.027 363 HG22 VAL 46 1HG2 VAL 46 -0.883 -2.974 4.327 364 HG23 VAL 46 2HG2 VAL 46 0.421 -3.524 5.433 365 H THR 47 H THR 47 2.548 -0.196 7.144 366 HA THR 47 HA THR 47 1.215 2.372 7.666 367 HB THR 47 HB THR 47 4.082 1.522 8.338 368 HG1 THR 47 HG1 THR 47 1.943 2.357 10.117 369 HG21 THR 47 3HG2 THR 47 2.609 4.160 8.810 370 HG22 THR 47 1HG2 THR 47 4.252 3.751 9.407 371 HG23 THR 47 2HG2 THR 47 3.946 3.886 7.643 372 H PHE 48 H PHE 48 1.644 4.078 6.185 373 HA PHE 48 HA PHE 48 3.442 3.580 3.978 374 HB2 PHE 48 2HB PHE 48 1.650 3.480 2.288 375 HB3 PHE 48 3HB PHE 48 1.591 2.089 3.379 376 HD1 PHE 48 HD1 PHE 48 -0.198 1.903 5.086 377 HD2 PHE 48 HD2 PHE 48 -0.128 5.117 2.236 378 HE1 PHE 48 HE1 PHE 48 -2.572 2.399 5.587 379 HE2 PHE 48 HE2 PHE 48 -2.502 5.613 2.738 380 HZ PHE 48 HZ PHE 48 -3.728 4.254 4.412 381 H GLU 49 H GLU 49 3.224 5.397 2.292 382 HA GLU 49 HA GLU 49 2.384 7.863 3.631 383 HB2 GLU 49 2HB GLU 49 3.656 8.980 1.861 384 HB3 GLU 49 3HB GLU 49 4.656 7.776 2.684 385 HG2 GLU 49 2HG GLU 49 4.463 6.224 0.824 386 HG3 GLU 49 3HG GLU 49 3.228 7.219 0.042 387 HA PRO 50 HA PRO 50 -1.299 8.174 1.178 388 HB2 PRO 50 2HB PRO 50 -1.542 10.953 1.203 389 HB3 PRO 50 3HB PRO 50 -1.937 9.977 2.623 390 HG2 PRO 50 2HG PRO 50 0.628 11.478 1.992 391 HG3 PRO 50 3HG PRO 50 -0.277 11.416 3.510 392 HD2 PRO 50 2HD PRO 50 1.933 9.879 3.165 393 HD3 PRO 50 3HD PRO 50 0.548 9.260 4.075 394 H THR 51 H THR 51 -1.982 8.451 -0.915 395 HA THR 51 HA THR 51 -0.289 9.819 -2.766 396 HB THR 51 HB THR 51 1.032 7.716 -2.253 397 HG1 THR 51 HG1 THR 51 0.699 7.055 -4.774 398 HG21 THR 51 3HG2 THR 51 -1.378 6.368 -3.570 399 HG22 THR 51 1HG2 THR 51 0.180 5.573 -3.163 400 HG23 THR 51 2HG2 THR 51 -0.876 6.201 -1.853 401 H THR 52 H THR 52 -1.025 9.027 -5.168 402 HA THR 52 HA THR 52 -3.777 8.019 -5.034 403 HB THR 52 HB THR 52 -4.419 9.495 -6.891 404 HG1 THR 52 HG1 THR 52 -2.748 11.318 -7.276 405 HG21 THR 52 3HG2 THR 52 -3.089 11.037 -4.609 406 HG22 THR 52 1HG2 THR 52 -4.354 11.674 -5.713 407 HG23 THR 52 2HG2 THR 52 -4.739 10.327 -4.590 408 H ASN 53 H ASN 53 -4.468 7.209 -7.374 409 HA ASN 53 HA ASN 53 -2.938 5.288 -8.436 410 HB2 ASN 53 2HB ASN 53 -4.115 5.600 -10.529 411 HB3 ASN 53 3HB ASN 53 -5.216 5.816 -9.162 412 HD21 ASN 53 1HD2 ASN 53 -6.324 6.762 -11.163 413 HD22 ASN 53 2HD2 ASN 53 -6.221 8.487 -11.290 414 H ASN 54 H ASN 54 -1.616 5.188 -10.529 415 HA ASN 54 HA ASN 54 0.596 6.907 -9.937 416 HB2 ASN 54 2HB ASN 54 1.840 5.489 -11.430 417 HB3 ASN 54 3HB ASN 54 0.848 4.488 -10.363 418 HD21 ASN 54 1HD2 ASN 54 1.636 3.108 -12.300 419 HD22 ASN 54 2HD2 ASN 54 0.430 2.866 -13.519 420 H LYS 55 H LYS 55 -2.093 7.712 -11.586 421 HA LYS 55 HA LYS 55 -0.795 8.891 -13.898 422 HB2 LYS 55 2HB LYS 55 -3.605 9.109 -12.718 423 HB3 LYS 55 3HB LYS 55 -3.081 9.932 -14.193 424 HG2 LYS 55 2HG LYS 55 -2.591 7.718 -15.248 425 HG3 LYS 55 3HG LYS 55 -3.136 6.902 -13.776 426 HD2 LYS 55 2HD LYS 55 -5.396 7.943 -14.029 427 HD3 LYS 55 3HD LYS 55 -4.853 8.773 -15.494 428 HE2 LYS 55 2HE LYS 55 -4.378 6.560 -16.567 429 HE3 LYS 55 3HE LYS 55 -4.928 5.734 -15.103 430 HZ1 LYS 55 3HZ LYS 55 -6.589 7.499 -16.786 431 HZ2 LYS 55 1HZ LYS 55 -6.662 5.869 -16.747 432 HZ3 LYS 55 2HZ LYS 55 -7.097 6.737 -15.435 433 H GLY 56 H GLY 56 -1.782 9.826 -10.555 434 HA2 GLY 56 2HA GLY 56 -0.515 12.441 -11.118 435 HA3 GLY 56 3HA GLY 56 -1.670 12.115 -9.819 436 H LEU 57 H LEU 57 -0.927 11.287 -7.809 437 HA LEU 57 HA LEU 57 1.846 11.861 -7.393 438 HB2 LEU 57 2HB LEU 57 -0.356 10.806 -5.552 439 HB3 LEU 57 3HB LEU 57 1.253 11.308 -5.016 440 HG LEU 57 HG LEU 57 -0.794 13.141 -6.374 441 HD11 LEU 57 1HD1 LEU 57 -1.014 14.154 -4.135 442 HD12 LEU 57 2HD1 LEU 57 -1.505 12.427 -4.127 443 HD13 LEU 57 3HD1 LEU 57 0.092 12.910 -3.461 444 HD21 LEU 57 3HD2 LEU 57 1.552 13.769 -6.817 445 HD22 LEU 57 1HD2 LEU 57 0.770 14.934 -5.697 446 HD23 LEU 57 2HD2 LEU 57 1.909 13.700 -5.059 447 H SER 58 H SER 58 3.483 10.436 -6.529 448 HA SER 58 HA SER 58 2.985 7.617 -7.231 449 HB2 SER 58 2HB SER 58 5.405 7.451 -7.425 450 HB3 SER 58 3HB SER 58 4.814 8.783 -8.428 451 HG SER 58 HG SER 58 6.694 9.359 -7.208 452 H ALA 59 H ALA 59 4.169 5.972 -5.815 453 HA ALA 59 HA ALA 59 4.235 6.895 -3.018 454 HB1 ALA 59 3HB ALA 59 2.891 4.382 -4.127 455 HB2 ALA 59 1HB ALA 59 3.092 4.782 -2.388 456 HB3 ALA 59 2HB ALA 59 2.060 5.815 -3.434 457 H TYR 60 H TYR 60 5.750 5.822 -1.658 458 HA TYR 60 HA TYR 60 7.162 3.524 -2.648 459 HB2 TYR 60 2HB TYR 60 9.390 4.582 -2.619 460 HB3 TYR 60 3HB TYR 60 8.361 5.276 -3.879 461 HD1 TYR 60 HD1 TYR 60 7.524 7.582 -3.697 462 HD2 TYR 60 HD2 TYR 60 10.052 5.905 -0.660 463 HE1 TYR 60 HE1 TYR 60 7.943 9.849 -2.797 464 HE2 TYR 60 HE2 TYR 60 10.474 8.169 0.246 465 HH TYR 60 HH TYR 60 10.079 10.333 0.063 466 H ALA 61 H ALA 61 8.917 2.853 -0.988 467 HA ALA 61 HA ALA 61 9.388 2.264 1.098 468 HB1 ALA 61 3HB ALA 61 8.709 5.194 1.652 469 HB2 ALA 61 1HB ALA 61 9.603 4.097 2.759 470 HB3 ALA 61 2HB ALA 61 10.313 4.545 1.172 471 H VAL 62 H VAL 62 6.893 1.324 0.448 472 HA VAL 62 HA VAL 62 5.150 2.007 2.653 473 HB VAL 62 HB VAL 62 4.977 -0.103 0.442 474 HG11 VAL 62 1HG1 VAL 62 2.630 -0.401 1.171 475 HG12 VAL 62 2HG1 VAL 62 3.793 -0.857 2.461 476 HG13 VAL 62 3HG1 VAL 62 2.922 0.711 2.550 477 HG21 VAL 62 3HG2 VAL 62 4.777 2.212 -0.361 478 HG22 VAL 62 1HG2 VAL 62 3.196 1.365 -0.454 479 HG23 VAL 62 2HG2 VAL 62 3.509 2.542 0.867 480 H LYS 63 H LYS 63 4.682 0.625 4.451 481 HA LYS 63 HA LYS 63 6.599 -1.595 4.772 482 HB2 LYS 63 2HB LYS 63 5.793 0.567 6.775 483 HB3 LYS 63 3HB LYS 63 6.702 -0.891 7.194 484 HG2 LYS 63 2HG LYS 63 8.523 -0.187 5.618 485 HG3 LYS 63 3HG LYS 63 7.619 1.288 5.253 486 HD2 LYS 63 2HD LYS 63 7.687 1.913 7.690 487 HD3 LYS 63 3HD LYS 63 8.633 0.456 8.024 488 HE2 LYS 63 2HE LYS 63 10.408 1.261 6.441 489 HE3 LYS 63 3HE LYS 63 9.466 2.728 6.143 490 HZ1 LYS 63 3HZ LYS 63 10.541 1.899 8.764 491 HZ2 LYS 63 1HZ LYS 63 11.146 3.079 7.812 492 HZ3 LYS 63 2HZ LYS 63 9.671 3.253 8.489 493 H VAL 64 H VAL 64 5.589 -3.518 5.186 494 HA VAL 64 HA VAL 64 2.900 -3.361 6.344 495 HB VAL 64 HB VAL 64 4.325 -5.619 4.846 496 HG11 VAL 64 1HG1 VAL 64 2.138 -6.776 4.929 497 HG12 VAL 64 2HG1 VAL 64 2.812 -6.501 6.571 498 HG13 VAL 64 3HG1 VAL 64 1.484 -5.458 5.958 499 HG21 VAL 64 3HG2 VAL 64 3.652 -3.755 3.392 500 HG22 VAL 64 1HG2 VAL 64 2.621 -5.196 3.100 501 HG23 VAL 64 2HG2 VAL 64 1.986 -3.818 4.061 502 H VAL 65 H VAL 65 2.427 -4.407 8.328 503 HA VAL 65 HA VAL 65 4.748 -4.608 9.968 504 HB VAL 65 HB VAL 65 1.768 -5.021 10.534 505 HG11 VAL 65 1HG1 VAL 65 2.384 -4.836 12.925 506 HG12 VAL 65 2HG1 VAL 65 3.134 -6.272 12.150 507 HG13 VAL 65 3HG1 VAL 65 4.121 -4.806 12.470 508 HG21 VAL 65 3HG2 VAL 65 2.361 -2.733 9.864 509 HG22 VAL 65 1HG2 VAL 65 1.938 -2.799 11.608 510 HG23 VAL 65 2HG2 VAL 65 3.659 -2.692 11.105 511 HA PRO 66 HA PRO 66 5.099 -9.010 9.434 512 HB2 PRO 66 2HB PRO 66 7.347 -9.356 10.996 513 HB3 PRO 66 3HB PRO 66 7.464 -8.523 9.440 514 HG2 PRO 66 2HG PRO 66 7.251 -7.331 12.228 515 HG3 PRO 66 3HG PRO 66 8.348 -6.886 10.914 516 HD2 PRO 66 2HD PRO 66 6.070 -5.460 11.409 517 HD3 PRO 66 3HD PRO 66 6.694 -5.652 9.766 518 H LEU 67 H LEU 67 5.301 -11.051 10.746 519 HA LEU 67 HA LEU 67 3.670 -10.680 13.173 520 HB2 LEU 67 2HB LEU 67 4.071 -13.090 11.334 521 HB3 LEU 67 3HB LEU 67 3.078 -13.081 12.798 522 HG LEU 67 HG LEU 67 2.572 -11.348 10.320 523 HD11 LEU 67 1HD1 LEU 67 0.645 -12.846 9.964 524 HD12 LEU 67 2HD1 LEU 67 2.199 -13.744 9.898 525 HD13 LEU 67 3HD1 LEU 67 1.162 -13.849 11.361 526 HD21 LEU 67 3HD2 LEU 67 1.823 -10.305 12.429 527 HD22 LEU 67 1HD2 LEU 67 0.425 -10.849 11.443 528 HD23 LEU 67 2HD2 LEU 67 0.946 -11.809 12.868 529 H GLU 68 H GLU 68 6.552 -10.201 13.277 530 HA GLU 68 HA GLU 68 8.409 -10.837 14.315 531 HB2 GLU 68 2HB GLU 68 6.435 -12.502 15.950 532 HB3 GLU 68 3HB GLU 68 8.114 -12.189 16.406 533 HG2 GLU 68 2HG GLU 68 7.625 -9.736 16.486 534 HG3 GLU 68 3HG GLU 68 5.942 -10.064 16.056 535 H HIS 69 H HIS 69 7.913 -12.273 11.885 536 HA HIS 69 HA HIS 69 9.615 -14.506 12.295 537 HB2 HIS 69 2HB HIS 69 7.452 -15.476 13.112 538 HB3 HIS 69 3HB HIS 69 6.706 -15.092 11.555 539 HD2 HIS 69 HD2 HIS 69 6.956 -17.086 9.681 540 HE1 HIS 69 HE1 HIS 69 10.066 -19.299 11.619 541 H HIS 70 H HIS 70 10.603 -15.099 10.330 542 HA HIS 70 HA HIS 70 9.330 -14.463 7.833 543 HB2 HIS 70 2HB HIS 70 11.007 -12.892 7.037 544 HB3 HIS 70 3HB HIS 70 10.231 -12.238 8.485 545 HD2 HIS 70 HD2 HIS 70 13.765 -13.234 7.225 546 HE1 HIS 70 HE1 HIS 70 14.116 -12.153 11.353 547 H HIS 71 H HIS 71 10.806 -15.135 5.945 548 HA HIS 71 HA HIS 71 12.908 -16.987 6.853 549 HB2 HIS 71 2HB HIS 71 10.803 -17.460 4.683 550 HB3 HIS 71 3HB HIS 71 12.213 -18.491 4.959 551 HD2 HIS 71 HD2 HIS 71 8.635 -17.949 6.357 552 HE1 HIS 71 HE1 HIS 71 10.568 -20.852 8.840 553 H HIS 72 H HIS 72 14.747 -17.157 5.443 554 HA HIS 72 HA HIS 72 14.924 -14.905 3.573 555 HB2 HIS 72 2HB HIS 72 17.046 -16.680 4.881 556 HB3 HIS 72 3HB HIS 72 17.394 -15.391 3.720 557 HD2 HIS 72 HD2 HIS 72 16.662 -15.836 7.506 558 HE1 HIS 72 HE1 HIS 72 16.862 -11.634 6.711 559 H HIS 73 H HIS 73 15.269 -15.194 1.364 560 HA HIS 73 HA HIS 73 15.615 -17.975 0.464 561 HB2 HIS 73 2HB HIS 73 13.605 -15.928 -0.604 562 HB3 HIS 73 3HB HIS 73 13.956 -17.495 -1.346 563 HD2 HIS 73 HD2 HIS 73 11.728 -15.998 1.434 564 HE1 HIS 73 HE1 HIS 73 11.436 -20.258 1.729 565 H HIS 74 H HIS 74 16.247 -18.032 -1.957 566 HA HIS 74 HA HIS 74 18.465 -16.295 -2.315 567 HB2 HIS 74 2HB HIS 74 18.242 -18.706 -3.102 568 HB3 HIS 74 3HB HIS 74 17.113 -18.141 -4.340 569 HD2 HIS 74 HD2 HIS 74 20.923 -18.420 -3.745 570 HE1 HIS 74 HE1 HIS 74 20.354 -16.147 -7.328 Start of MODEL 2 1 H1 MET 1 1H MET 1 3.625 13.380 6.229 2 H2 MET 1 2H MET 1 3.017 12.231 7.217 3 H3 MET 1 3H MET 1 4.622 12.529 7.204 4 HA MET 1 HA MET 1 3.079 11.502 4.950 5 HB2 MET 1 2HB MET 1 6.083 11.846 5.391 6 HB3 MET 1 3HB MET 1 5.350 11.021 4.009 7 HG2 MET 1 2HG MET 1 4.968 13.967 4.730 8 HG3 MET 1 3HG MET 1 6.045 13.343 3.473 9 HE1 MET 1 3HE MET 1 5.199 11.506 1.947 10 HE2 MET 1 1HE MET 1 3.566 11.433 1.202 11 HE3 MET 1 2HE MET 1 4.730 12.703 0.693 12 H ALA 2 H ALA 2 2.685 10.465 7.629 13 HA ALA 2 HA ALA 2 3.661 7.762 7.114 14 HB1 ALA 2 3HB ALA 2 4.021 9.246 9.765 15 HB2 ALA 2 1HB ALA 2 4.317 7.495 9.495 16 HB3 ALA 2 2HB ALA 2 5.330 8.717 8.654 17 H MET 3 H MET 3 1.462 7.242 6.530 18 HA MET 3 HA MET 3 -0.497 7.688 8.695 19 HB2 MET 3 2HB MET 3 -0.854 7.468 5.669 20 HB3 MET 3 3HB MET 3 -2.178 7.581 6.836 21 HG2 MET 3 2HG MET 3 -1.361 9.816 7.558 22 HG3 MET 3 3HG MET 3 -0.020 9.703 6.410 23 HE1 MET 3 3HE MET 3 -0.824 12.085 5.605 24 HE2 MET 3 1HE MET 3 -2.388 12.414 4.785 25 HE3 MET 3 2HE MET 3 -2.348 12.111 6.555 26 H ASN 4 H ASN 4 -2.168 5.988 8.976 27 HA ASN 4 HA ASN 4 -0.907 3.377 8.496 28 HB2 ASN 4 2HB ASN 4 -2.882 4.334 10.599 29 HB3 ASN 4 3HB ASN 4 -2.416 2.643 10.377 30 HD21 ASN 4 1HD2 ASN 4 -2.071 4.212 12.708 31 HD22 ASN 4 2HD2 ASN 4 -0.374 4.219 13.054 32 H GLY 5 H GLY 5 -2.250 1.535 7.846 33 HA2 GLY 5 2HA GLY 5 -4.978 2.072 7.044 34 HA3 GLY 5 3HA GLY 5 -3.838 1.930 5.700 35 H THR 6 H THR 6 -5.609 0.029 5.442 36 HA THR 6 HA THR 6 -4.277 -2.343 6.518 37 HB THR 6 HB THR 6 -6.281 -1.960 7.919 38 HG1 THR 6 HG1 THR 6 -5.769 -4.149 7.427 39 HG21 THR 6 3HG2 THR 6 -7.805 -2.078 5.271 40 HG22 THR 6 1HG2 THR 6 -8.541 -2.035 6.909 41 HG23 THR 6 2HG2 THR 6 -7.597 -0.629 6.311 42 H ILE 7 H ILE 7 -4.439 -4.238 5.125 43 HA ILE 7 HA ILE 7 -4.796 -3.526 2.367 44 HB ILE 7 HB ILE 7 -4.069 -6.156 3.758 45 HG12 ILE 7 2HG1 ILE 7 -2.341 -4.212 2.157 46 HG13 ILE 7 3HG1 ILE 7 -2.455 -4.205 3.922 47 HG21 ILE 7 1HG2 ILE 7 -3.389 -6.939 1.513 48 HG22 ILE 7 2HG2 ILE 7 -5.149 -6.589 1.594 49 HG23 ILE 7 3HG2 ILE 7 -4.039 -5.427 0.793 50 HD11 ILE 7 3HD1 ILE 7 -1.480 -6.535 2.208 51 HD12 ILE 7 1HD1 ILE 7 -0.456 -5.415 3.169 52 HD13 ILE 7 2HD1 ILE 7 -1.595 -6.528 4.000 53 H THR 8 H THR 8 -6.681 -3.766 1.200 54 HA THR 8 HA THR 8 -8.817 -5.270 2.514 55 HB THR 8 HB THR 8 -8.869 -3.204 0.254 56 HG1 THR 8 HG1 THR 8 -10.298 -2.569 2.510 57 HG21 THR 8 3HG2 THR 8 -11.153 -4.599 1.732 58 HG22 THR 8 1HG2 THR 8 -11.329 -3.268 0.539 59 HG23 THR 8 2HG2 THR 8 -10.682 -4.861 0.019 60 H THR 9 H THR 9 -6.917 -5.019 -0.556 61 HA THR 9 HA THR 9 -8.063 -7.596 -1.316 62 HB THR 9 HB THR 9 -7.808 -5.177 -3.181 63 HG1 THR 9 HG1 THR 9 -10.155 -5.432 -3.278 64 HG21 THR 9 3HG2 THR 9 -8.799 -8.025 -3.690 65 HG22 THR 9 1HG2 THR 9 -8.848 -6.668 -4.865 66 HG23 THR 9 2HG2 THR 9 -7.269 -7.310 -4.300 67 H TRP 10 H TRP 10 -6.591 -8.963 -2.463 68 HA TRP 10 HA TRP 10 -3.942 -7.845 -3.009 69 HB2 TRP 10 2HB TRP 10 -4.093 -8.714 -0.593 70 HB3 TRP 10 3HB TRP 10 -4.366 -10.324 -1.274 71 HD1 TRP 10 HD1 TRP 10 -2.278 -11.554 -2.456 72 HE1 TRP 10 HE1 TRP 10 0.270 -11.124 -2.355 73 HE3 TRP 10 HE3 TRP 10 -2.339 -6.822 -0.452 74 HZ2 TRP 10 HZ2 TRP 10 2.018 -9.074 -1.549 75 HZ3 TRP 10 HZ3 TRP 10 -0.169 -5.675 -0.040 76 HH2 TRP 10 HH2 TRP 10 1.957 -6.765 -0.577 77 H PHE 11 H PHE 11 -3.257 -8.583 -4.989 78 HA PHE 11 HA PHE 11 -4.118 -11.309 -5.727 79 HB2 PHE 11 2HB PHE 11 -3.355 -8.946 -7.512 80 HB3 PHE 11 3HB PHE 11 -3.735 -10.577 -8.080 81 HD1 PHE 11 HD1 PHE 11 -6.068 -11.504 -7.692 82 HD2 PHE 11 HD2 PHE 11 -5.073 -7.378 -7.026 83 HE1 PHE 11 HE1 PHE 11 -8.466 -10.910 -7.794 84 HE2 PHE 11 HE2 PHE 11 -7.475 -6.786 -7.127 85 HZ PHE 11 HZ PHE 11 -9.176 -8.548 -7.513 86 H LYS 12 H LYS 12 -2.347 -12.392 -4.693 87 HA LYS 12 HA LYS 12 0.297 -11.459 -4.819 88 HB2 LYS 12 2HB LYS 12 0.880 -13.619 -3.928 89 HB3 LYS 12 3HB LYS 12 -0.633 -13.103 -3.171 90 HG2 LYS 12 2HG LYS 12 -1.913 -14.577 -4.734 91 HG3 LYS 12 3HG LYS 12 -0.395 -15.101 -5.475 92 HD2 LYS 12 2HD LYS 12 0.381 -15.960 -3.243 93 HD3 LYS 12 3HD LYS 12 -1.160 -15.467 -2.530 94 HE2 LYS 12 2HE LYS 12 -2.372 -16.975 -4.124 95 HE3 LYS 12 3HE LYS 12 -0.824 -17.479 -4.815 96 HZ1 LYS 12 3HZ LYS 12 -1.641 -17.870 -2.007 97 HZ2 LYS 12 1HZ LYS 12 -1.598 -19.024 -3.161 98 HZ3 LYS 12 2HZ LYS 12 -0.211 -18.334 -2.645 99 H ASP 13 H ASP 13 -1.705 -13.231 -7.167 100 HA ASP 13 HA ASP 13 0.457 -14.373 -8.609 101 HB2 ASP 13 2HB ASP 13 -2.448 -13.719 -9.265 102 HB3 ASP 13 3HB ASP 13 -1.354 -14.448 -10.448 103 H LYS 14 H LYS 14 -1.044 -11.132 -8.524 104 HA LYS 14 HA LYS 14 0.409 -10.433 -10.985 105 HB2 LYS 14 2HB LYS 14 -1.811 -9.013 -9.438 106 HB3 LYS 14 3HB LYS 14 -1.015 -8.366 -10.878 107 HG2 LYS 14 2HG LYS 14 -1.828 -10.341 -12.194 108 HG3 LYS 14 3HG LYS 14 -2.658 -10.943 -10.753 109 HD2 LYS 14 2HD LYS 14 -4.013 -8.844 -10.649 110 HD3 LYS 14 3HD LYS 14 -3.175 -8.226 -12.078 111 HE2 LYS 14 2HE LYS 14 -3.997 -10.222 -13.386 112 HE3 LYS 14 3HE LYS 14 -4.890 -10.763 -11.958 113 HZ1 LYS 14 3HZ LYS 14 -5.310 -8.198 -13.356 114 HZ2 LYS 14 1HZ LYS 14 -6.281 -9.507 -13.448 115 HZ3 LYS 14 2HZ LYS 14 -6.134 -8.697 -12.038 116 H GLY 15 H GLY 15 0.696 -10.307 -7.537 117 HA2 GLY 15 2HA GLY 15 2.134 -9.209 -6.206 118 HA3 GLY 15 3HA GLY 15 2.926 -8.550 -7.643 119 H PHE 16 H PHE 16 -0.576 -8.119 -6.735 120 HA PHE 16 HA PHE 16 -0.061 -5.253 -6.464 121 HB2 PHE 16 2HB PHE 16 -0.301 -5.659 -8.896 122 HB3 PHE 16 3HB PHE 16 -1.823 -6.517 -8.620 123 HD1 PHE 16 HD1 PHE 16 -0.158 -3.191 -8.344 124 HD2 PHE 16 HD2 PHE 16 -3.876 -5.342 -8.372 125 HE1 PHE 16 HE1 PHE 16 -1.395 -1.053 -8.513 126 HE2 PHE 16 HE2 PHE 16 -5.111 -3.204 -8.545 127 HZ PHE 16 HZ PHE 16 -3.872 -1.056 -8.617 128 H GLY 17 H GLY 17 -1.595 -4.206 -5.153 129 HA2 GLY 17 2HA GLY 17 -3.989 -5.702 -4.409 130 HA3 GLY 17 3HA GLY 17 -2.754 -5.499 -3.159 131 H PHE 18 H PHE 18 -4.910 -4.355 -2.269 132 HA PHE 18 HA PHE 18 -4.734 -1.515 -3.013 133 HB2 PHE 18 2HB PHE 18 -6.624 -2.398 -4.268 134 HB3 PHE 18 3HB PHE 18 -7.237 -3.258 -2.850 135 HD1 PHE 18 HD1 PHE 18 -6.420 0.215 -4.036 136 HD2 PHE 18 HD2 PHE 18 -8.854 -2.254 -1.499 137 HE1 PHE 18 HE1 PHE 18 -7.793 2.185 -3.436 138 HE2 PHE 18 HE2 PHE 18 -10.227 -0.282 -0.900 139 HZ PHE 18 HZ PHE 18 -9.698 1.940 -1.867 140 H ILE 19 H ILE 19 -4.958 -0.079 -1.268 141 HA ILE 19 HA ILE 19 -5.346 -1.393 1.327 142 HB ILE 19 HB ILE 19 -3.109 0.537 0.525 143 HG12 ILE 19 2HG1 ILE 19 -2.993 -2.327 1.582 144 HG13 ILE 19 3HG1 ILE 19 -2.858 -1.889 -0.126 145 HG21 ILE 19 1HG2 ILE 19 -2.346 0.321 2.868 146 HG22 ILE 19 2HG2 ILE 19 -3.972 1.076 2.762 147 HG23 ILE 19 3HG2 ILE 19 -3.811 -0.645 3.252 148 HD11 ILE 19 3HD1 ILE 19 -0.971 -0.992 2.098 149 HD12 ILE 19 1HD1 ILE 19 -0.647 -2.261 0.869 150 HD13 ILE 19 2HD1 ILE 19 -0.834 -0.548 0.363 151 H LYS 20 H LYS 20 -6.510 -0.171 2.851 152 HA LYS 20 HA LYS 20 -7.411 2.465 1.896 153 HB2 LYS 20 2HB LYS 20 -8.617 0.454 3.855 154 HB3 LYS 20 3HB LYS 20 -9.261 2.078 3.582 155 HG2 LYS 20 2HG LYS 20 -9.640 1.513 1.173 156 HG3 LYS 20 3HG LYS 20 -9.018 -0.117 1.465 157 HD2 LYS 20 2HD LYS 20 -10.823 -0.521 3.138 158 HD3 LYS 20 3HD LYS 20 -11.434 1.120 2.892 159 HE2 LYS 20 2HE LYS 20 -11.823 0.586 0.461 160 HE3 LYS 20 3HE LYS 20 -11.267 -1.067 0.752 161 HZ1 LYS 20 3HZ LYS 20 -13.596 0.198 2.051 162 HZ2 LYS 20 1HZ LYS 20 -13.654 -0.906 0.849 163 HZ3 LYS 20 2HZ LYS 20 -13.083 -1.329 2.319 164 H ASP 21 H ASP 21 -6.600 4.251 2.912 165 HA ASP 21 HA ASP 21 -5.125 3.920 5.374 166 HB2 ASP 21 2HB ASP 21 -4.627 5.483 3.329 167 HB3 ASP 21 3HB ASP 21 -5.867 6.538 4.020 168 H GLU 22 H GLU 22 -5.743 4.596 7.449 169 HA GLU 22 HA GLU 22 -8.492 4.879 7.996 170 HB2 GLU 22 2HB GLU 22 -5.968 5.476 9.607 171 HB3 GLU 22 3HB GLU 22 -7.601 5.600 10.275 172 HG2 GLU 22 2HG GLU 22 -7.992 3.197 9.853 173 HG3 GLU 22 3HG GLU 22 -6.407 3.049 9.082 174 H ASN 23 H ASN 23 -6.187 7.152 6.724 175 HA ASN 23 HA ASN 23 -7.687 9.419 7.787 176 HB2 ASN 23 2HB ASN 23 -5.173 9.198 6.094 177 HB3 ASN 23 3HB ASN 23 -5.963 10.731 6.486 178 HD21 ASN 23 1HD2 ASN 23 -3.843 8.284 7.514 179 HD22 ASN 23 2HD2 ASN 23 -3.452 8.957 9.062 180 H GLY 24 H GLY 24 -8.287 7.200 5.399 181 HA2 GLY 24 2HA GLY 24 -10.154 7.445 4.067 182 HA3 GLY 24 3HA GLY 24 -9.965 9.203 4.095 183 H ASP 25 H ASP 25 -6.854 8.059 3.510 184 HA ASP 25 HA ASP 25 -7.135 8.584 0.672 185 HB2 ASP 25 2HB ASP 25 -5.287 9.526 2.124 186 HB3 ASP 25 3HB ASP 25 -4.676 7.881 2.346 187 H ASN 26 H ASN 26 -8.198 6.776 -0.273 188 HA ASN 26 HA ASN 26 -7.083 4.154 0.412 189 HB2 ASN 26 2HB ASN 26 -9.708 4.961 -0.898 190 HB3 ASN 26 3HB ASN 26 -9.174 3.293 -0.657 191 HD21 ASN 26 1HD2 ASN 26 -11.541 4.337 0.353 192 HD22 ASN 26 2HD2 ASN 26 -11.462 4.241 2.081 193 H ARG 27 H ARG 27 -5.683 3.193 -1.054 194 HA ARG 27 HA ARG 27 -5.766 4.181 -3.805 195 HB2 ARG 27 2HB ARG 27 -3.335 4.419 -2.013 196 HB3 ARG 27 3HB ARG 27 -3.376 4.712 -3.757 197 HG2 ARG 27 2HG ARG 27 -5.033 6.259 -1.718 198 HG3 ARG 27 3HG ARG 27 -3.451 6.777 -2.314 199 HD2 ARG 27 2HD ARG 27 -4.350 6.808 -4.613 200 HD3 ARG 27 3HD ARG 27 -5.937 6.345 -3.983 201 HE ARG 27 HE ARG 27 -4.612 8.960 -3.684 202 HH11 ARG 27 1HH1 ARG 27 -7.414 6.935 -3.051 203 HH12 ARG 27 2HH1 ARG 27 -8.417 8.269 -2.588 204 HH21 ARG 27 1HH2 ARG 27 -5.913 10.660 -3.102 205 HH22 ARG 27 2HH2 ARG 27 -7.557 10.409 -2.618 206 H TYR 28 H TYR 28 -4.447 2.862 -5.307 207 HA TYR 28 HA TYR 28 -4.153 0.126 -4.353 208 HB2 TYR 28 2HB TYR 28 -3.948 1.472 -7.087 209 HB3 TYR 28 3HB TYR 28 -3.578 -0.237 -6.822 210 HD1 TYR 28 HD1 TYR 28 -6.260 2.301 -6.943 211 HD2 TYR 28 HD2 TYR 28 -5.357 -1.848 -6.312 212 HE1 TYR 28 HE1 TYR 28 -8.658 1.746 -7.197 213 HE2 TYR 28 HE2 TYR 28 -7.756 -2.411 -6.567 214 HH TYR 28 HH TYR 28 -9.799 -1.663 -6.937 215 H PHE 29 H PHE 29 -2.176 -1.018 -4.263 216 HA PHE 29 HA PHE 29 0.239 0.577 -4.790 217 HB2 PHE 29 2HB PHE 29 -0.421 -1.005 -2.258 218 HB3 PHE 29 3HB PHE 29 1.187 -0.389 -2.659 219 HD1 PHE 29 HD1 PHE 29 1.629 2.052 -2.689 220 HD2 PHE 29 HD2 PHE 29 -2.174 0.465 -1.473 221 HE1 PHE 29 HE1 PHE 29 1.063 4.216 -1.631 222 HE2 PHE 29 HE2 PHE 29 -2.741 2.632 -0.422 223 HZ PHE 29 HZ PHE 29 -1.126 4.512 -0.500 224 H HIS 30 H HIS 30 2.133 -0.693 -5.314 225 HA HIS 30 HA HIS 30 1.477 -3.492 -5.967 226 HB2 HIS 30 2HB HIS 30 2.110 -1.784 -7.814 227 HB3 HIS 30 3HB HIS 30 3.739 -1.812 -7.127 228 HD2 HIS 30 HD2 HIS 30 1.420 -4.022 -9.354 229 HE1 HIS 30 HE1 HIS 30 5.128 -6.096 -8.837 230 H VAL 31 H VAL 31 3.075 -5.150 -5.501 231 HA VAL 31 HA VAL 31 4.177 -4.859 -2.971 232 HB VAL 31 HB VAL 31 5.308 -7.032 -3.455 233 HG11 VAL 31 1HG1 VAL 31 3.254 -8.336 -3.912 234 HG12 VAL 31 2HG1 VAL 31 2.953 -6.998 -2.752 235 HG13 VAL 31 3HG1 VAL 31 2.431 -6.837 -4.462 236 HG21 VAL 31 3HG2 VAL 31 5.948 -6.602 -5.788 237 HG22 VAL 31 1HG2 VAL 31 4.978 -8.108 -5.659 238 HG23 VAL 31 2HG2 VAL 31 4.220 -6.601 -6.276 239 H ILE 32 H ILE 32 5.508 -4.088 -6.188 240 HA ILE 32 HA ILE 32 8.218 -4.113 -5.445 241 HB ILE 32 HB ILE 32 6.629 -2.657 -7.605 242 HG12 ILE 32 2HG1 ILE 32 8.723 -4.874 -7.781 243 HG13 ILE 32 3HG1 ILE 32 6.982 -5.174 -7.681 244 HG21 ILE 32 1HG2 ILE 32 8.793 -2.009 -8.611 245 HG22 ILE 32 2HG2 ILE 32 8.545 -1.242 -7.006 246 HG23 ILE 32 3HG2 ILE 32 9.651 -2.648 -7.168 247 HD11 ILE 32 3HD1 ILE 32 8.397 -3.603 -9.884 248 HD12 ILE 32 1HD1 ILE 32 7.766 -5.280 -10.005 249 HD13 ILE 32 2HD1 ILE 32 6.630 -3.907 -9.782 250 H LYS 33 H LYS 33 5.557 -1.788 -4.906 251 HA LYS 33 HA LYS 33 7.402 0.381 -4.353 252 HB2 LYS 33 2HB LYS 33 4.363 0.123 -4.155 253 HB3 LYS 33 3HB LYS 33 5.270 1.609 -3.839 254 HG2 LYS 33 2HG LYS 33 6.090 1.630 -6.183 255 HG3 LYS 33 3HG LYS 33 5.241 0.113 -6.508 256 HD2 LYS 33 2HD LYS 33 3.062 1.233 -5.918 257 HD3 LYS 33 3HD LYS 33 3.932 2.753 -5.667 258 HE2 LYS 33 2HE LYS 33 4.736 2.674 -8.042 259 HE3 LYS 33 3HE LYS 33 3.842 1.168 -8.288 260 HZ1 LYS 33 3HZ LYS 33 2.638 3.762 -7.560 261 HZ2 LYS 33 1HZ LYS 33 2.596 3.070 -9.038 262 HZ3 LYS 33 2HZ LYS 33 1.812 2.372 -7.787 263 H VAL 34 H VAL 34 6.743 -2.365 -2.656 264 HA VAL 34 HA VAL 34 6.209 -1.031 -0.124 265 HB VAL 34 HB VAL 34 6.521 -3.998 -0.812 266 HG11 VAL 34 1HG1 VAL 34 5.488 -4.377 1.407 267 HG12 VAL 34 2HG1 VAL 34 7.053 -3.506 1.538 268 HG13 VAL 34 3HG1 VAL 34 5.508 -2.607 1.713 269 HG21 VAL 34 3HG2 VAL 34 4.566 -2.990 -1.913 270 HG22 VAL 34 1HG2 VAL 34 4.057 -4.080 -0.579 271 HG23 VAL 34 2HG2 VAL 34 4.024 -2.299 -0.346 272 H ALA 35 H ALA 35 7.881 -0.427 1.221 273 HA ALA 35 HA ALA 35 10.564 -1.020 0.494 274 HB1 ALA 35 3HB ALA 35 9.347 0.207 3.018 275 HB2 ALA 35 1HB ALA 35 11.087 0.229 2.576 276 HB3 ALA 35 2HB ALA 35 9.891 1.099 1.557 277 H ASN 36 H ASN 36 8.346 -2.222 3.131 278 HA ASN 36 HA ASN 36 10.244 -4.064 4.137 279 HB2 ASN 36 2HB ASN 36 7.219 -3.882 4.232 280 HB3 ASN 36 3HB ASN 36 8.105 -5.227 4.961 281 HD21 ASN 36 1HD2 ASN 36 6.636 -3.915 6.630 282 HD22 ASN 36 2HD2 ASN 36 7.587 -2.925 7.686 283 HA PRO 37 HA PRO 37 10.540 -7.321 1.295 284 HB2 PRO 37 2HB PRO 37 9.414 -9.139 3.500 285 HB3 PRO 37 3HB PRO 37 10.851 -9.393 2.502 286 HG2 PRO 37 2HG PRO 37 11.151 -8.553 5.010 287 HG3 PRO 37 3HG PRO 37 12.152 -7.841 3.738 288 HD2 PRO 37 2HD PRO 37 9.768 -6.659 5.171 289 HD3 PRO 37 3HD PRO 37 11.211 -5.847 4.549 290 H ASP 38 H ASP 38 9.371 -7.735 -0.443 291 HA ASP 38 HA ASP 38 6.541 -7.641 -0.356 292 HB2 ASP 38 2HB ASP 38 6.692 -8.279 -2.710 293 HB3 ASP 38 3HB ASP 38 7.875 -7.019 -2.336 294 H LEU 39 H LEU 39 8.672 -10.062 0.755 295 HA LEU 39 HA LEU 39 6.953 -12.280 -0.021 296 HB2 LEU 39 2HB LEU 39 9.405 -12.077 1.796 297 HB3 LEU 39 3HB LEU 39 8.576 -13.582 1.378 298 HG LEU 39 HG LEU 39 9.959 -11.724 -0.629 299 HD11 LEU 39 1HD1 LEU 39 11.646 -13.519 -0.763 300 HD12 LEU 39 2HD1 LEU 39 11.549 -12.828 0.891 301 HD13 LEU 39 3HD1 LEU 39 10.795 -14.419 0.537 302 HD21 LEU 39 3HD2 LEU 39 8.048 -12.967 -1.579 303 HD22 LEU 39 1HD2 LEU 39 9.608 -13.606 -2.198 304 HD23 LEU 39 2HD2 LEU 39 8.712 -14.501 -0.924 305 H ILE 40 H ILE 40 6.771 -9.779 2.273 306 HA ILE 40 HA ILE 40 5.366 -11.567 4.141 307 HB ILE 40 HB ILE 40 6.872 -8.958 4.696 308 HG12 ILE 40 2HG1 ILE 40 7.377 -11.798 5.704 309 HG13 ILE 40 3HG1 ILE 40 8.237 -11.060 4.346 310 HG21 ILE 40 1HG2 ILE 40 6.280 -9.357 7.065 311 HG22 ILE 40 2HG2 ILE 40 4.822 -9.108 6.045 312 HG23 ILE 40 3HG2 ILE 40 5.277 -10.763 6.574 313 HD11 ILE 40 3HD1 ILE 40 8.220 -10.027 7.218 314 HD12 ILE 40 1HD1 ILE 40 9.556 -10.916 6.411 315 HD13 ILE 40 2HD1 ILE 40 9.094 -9.278 5.839 316 H LYS 41 H LYS 41 3.166 -11.301 3.929 317 HA LYS 41 HA LYS 41 2.206 -8.523 3.701 318 HB2 LYS 41 2HB LYS 41 0.430 -9.246 2.240 319 HB3 LYS 41 3HB LYS 41 1.972 -9.746 1.533 320 HG2 LYS 41 2HG LYS 41 1.624 -12.062 2.287 321 HG3 LYS 41 3HG LYS 41 0.152 -11.597 3.151 322 HD2 LYS 41 2HD LYS 41 -0.701 -10.718 0.839 323 HD3 LYS 41 3HD LYS 41 0.636 -11.638 0.138 324 HE2 LYS 41 2HE LYS 41 -1.464 -12.843 2.014 325 HE3 LYS 41 3HE LYS 41 -1.585 -12.879 0.250 326 HZ1 LYS 41 3HZ LYS 41 0.608 -14.065 1.829 327 HZ2 LYS 41 1HZ LYS 41 -0.606 -14.887 1.110 328 HZ3 LYS 41 2HZ LYS 41 0.496 -14.098 0.200 329 H LYS 42 H LYS 42 0.458 -7.982 5.058 330 HA LYS 42 HA LYS 42 -1.294 -9.971 6.058 331 HB2 LYS 42 2HB LYS 42 0.702 -10.379 7.529 332 HB3 LYS 42 3HB LYS 42 0.629 -8.694 8.062 333 HG2 LYS 42 2HG LYS 42 -0.426 -10.016 9.766 334 HG3 LYS 42 3HG LYS 42 -1.713 -9.133 8.934 335 HD2 LYS 42 2HD LYS 42 -2.200 -11.151 7.536 336 HD3 LYS 42 3HD LYS 42 -0.907 -12.035 8.357 337 HE2 LYS 42 2HE LYS 42 -2.081 -11.751 10.539 338 HE3 LYS 42 3HE LYS 42 -3.363 -10.831 9.740 339 HZ1 LYS 42 3HZ LYS 42 -2.677 -13.643 9.167 340 HZ2 LYS 42 1HZ LYS 42 -3.969 -13.129 10.023 341 HZ3 LYS 42 2HZ LYS 42 -3.860 -12.793 8.429 342 H ASP 43 H ASP 43 -3.255 -8.987 6.573 343 HA ASP 43 HA ASP 43 -3.325 -6.180 5.904 344 HB2 ASP 43 2HB ASP 43 -5.736 -6.509 5.852 345 HB3 ASP 43 3HB ASP 43 -4.936 -7.811 4.962 346 H ALA 44 H ALA 44 -2.427 -7.553 8.734 347 HA ALA 44 HA ALA 44 -4.485 -6.523 10.476 348 HB1 ALA 44 3HB ALA 44 -1.774 -7.833 11.011 349 HB2 ALA 44 1HB ALA 44 -3.027 -7.473 12.247 350 HB3 ALA 44 2HB ALA 44 -3.365 -8.665 10.946 351 H ALA 45 H ALA 45 -1.895 -5.066 8.824 352 HA ALA 45 HA ALA 45 -2.197 -2.631 10.053 353 HB1 ALA 45 3HB ALA 45 0.192 -4.193 11.156 354 HB2 ALA 45 1HB ALA 45 -0.108 -2.438 11.388 355 HB3 ALA 45 2HB ALA 45 -1.241 -3.643 12.088 356 H VAL 46 H VAL 46 -1.563 -1.247 8.448 357 HA VAL 46 HA VAL 46 1.064 -1.798 7.276 358 HB VAL 46 HB VAL 46 -1.394 -0.793 5.752 359 HG11 VAL 46 1HG1 VAL 46 0.081 -0.915 3.767 360 HG12 VAL 46 2HG1 VAL 46 0.694 0.254 4.985 361 HG13 VAL 46 3HG1 VAL 46 1.461 -1.362 4.826 362 HG21 VAL 46 3HG2 VAL 46 -1.516 -3.205 6.216 363 HG22 VAL 46 1HG2 VAL 46 -1.190 -2.905 4.475 364 HG23 VAL 46 2HG2 VAL 46 0.142 -3.427 5.561 365 H THR 47 H THR 47 2.371 0.084 6.967 366 HA THR 47 HA THR 47 0.977 2.638 7.370 367 HB THR 47 HB THR 47 3.809 1.889 8.275 368 HG1 THR 47 HG1 THR 47 1.563 2.781 9.881 369 HG21 THR 47 3HG2 THR 47 2.253 4.512 8.515 370 HG22 THR 47 1HG2 THR 47 3.861 4.172 9.239 371 HG23 THR 47 2HG2 THR 47 3.671 4.214 7.454 372 H PHE 48 H PHE 48 1.522 4.309 5.890 373 HA PHE 48 HA PHE 48 3.666 3.962 4.017 374 HB2 PHE 48 2HB PHE 48 2.217 3.749 2.023 375 HB3 PHE 48 3HB PHE 48 2.120 2.326 3.067 376 HD1 PHE 48 HD1 PHE 48 0.103 1.980 4.520 377 HD2 PHE 48 HD2 PHE 48 0.297 5.117 1.590 378 HE1 PHE 48 HE1 PHE 48 -2.361 2.208 4.600 379 HE2 PHE 48 HE2 PHE 48 -2.167 5.347 1.675 380 HZ PHE 48 HZ PHE 48 -3.499 3.893 3.178 381 H GLU 49 H GLU 49 3.370 5.722 2.164 382 HA GLU 49 HA GLU 49 2.636 8.161 3.584 383 HB2 GLU 49 2HB GLU 49 4.050 7.689 0.914 384 HB3 GLU 49 3HB GLU 49 3.819 9.261 1.690 385 HG2 GLU 49 2HG GLU 49 5.188 8.478 3.641 386 HG3 GLU 49 3HG GLU 49 5.447 6.932 2.823 387 HA PRO 50 HA PRO 50 -1.099 8.829 1.229 388 HB2 PRO 50 2HB PRO 50 -1.090 11.614 1.281 389 HB3 PRO 50 3HB PRO 50 -1.530 10.671 2.711 390 HG2 PRO 50 2HG PRO 50 1.142 11.935 2.009 391 HG3 PRO 50 3HG PRO 50 0.273 11.961 3.549 392 HD2 PRO 50 2HD PRO 50 2.324 10.224 3.149 393 HD3 PRO 50 3HD PRO 50 0.918 9.744 4.108 394 H THR 51 H THR 51 -1.799 9.265 -0.855 395 HA THR 51 HA THR 51 0.028 10.356 -2.740 396 HB THR 51 HB THR 51 1.163 8.172 -2.172 397 HG1 THR 51 HG1 THR 51 1.752 8.448 -4.219 398 HG21 THR 51 3HG2 THR 51 -1.385 6.975 -3.364 399 HG22 THR 51 1HG2 THR 51 0.109 6.069 -2.948 400 HG23 THR 51 2HG2 THR 51 -0.857 6.854 -1.652 401 H THR 52 H THR 52 -0.802 9.787 -5.099 402 HA THR 52 HA THR 52 -3.537 8.740 -5.011 403 HB THR 52 HB THR 52 -4.216 10.311 -6.780 404 HG1 THR 52 HG1 THR 52 -2.734 12.066 -7.336 405 HG21 THR 52 3HG2 THR 52 -2.920 11.737 -4.406 406 HG22 THR 52 1HG2 THR 52 -4.199 12.414 -5.470 407 HG23 THR 52 2HG2 THR 52 -4.553 10.991 -4.432 408 H ASN 53 H ASN 53 -4.235 7.971 -7.320 409 HA ASN 53 HA ASN 53 -2.651 6.130 -8.445 410 HB2 ASN 53 2HB ASN 53 -4.603 8.040 -9.769 411 HB3 ASN 53 3HB ASN 53 -3.837 6.702 -10.636 412 HD21 ASN 53 1HD2 ASN 53 -6.580 6.989 -10.305 413 HD22 ASN 53 2HD2 ASN 53 -7.147 5.621 -9.407 414 H ASN 54 H ASN 54 -1.270 6.048 -10.435 415 HA ASN 54 HA ASN 54 0.769 7.992 -9.938 416 HB2 ASN 54 2HB ASN 54 2.153 6.603 -11.330 417 HB3 ASN 54 3HB ASN 54 1.239 5.584 -10.211 418 HD21 ASN 54 1HD2 ASN 54 2.164 4.155 -12.041 419 HD22 ASN 54 2HD2 ASN 54 1.002 3.735 -13.254 420 H LYS 55 H LYS 55 -1.950 8.505 -11.625 421 HA LYS 55 HA LYS 55 -0.806 9.615 -14.024 422 HB2 LYS 55 2HB LYS 55 -3.509 9.920 -12.634 423 HB3 LYS 55 3HB LYS 55 -3.099 10.689 -14.173 424 HG2 LYS 55 2HG LYS 55 -2.729 8.448 -15.200 425 HG3 LYS 55 3HG LYS 55 -3.122 7.673 -13.660 426 HD2 LYS 55 2HD LYS 55 -5.400 8.707 -13.717 427 HD3 LYS 55 3HD LYS 55 -5.008 9.490 -15.254 428 HE2 LYS 55 2HE LYS 55 -4.636 7.247 -16.302 429 HE3 LYS 55 3HE LYS 55 -5.030 6.464 -14.766 430 HZ1 LYS 55 3HZ LYS 55 -6.863 8.174 -16.323 431 HZ2 LYS 55 1HZ LYS 55 -6.923 6.545 -16.228 432 HZ3 LYS 55 2HZ LYS 55 -7.227 7.452 -14.904 433 H GLY 56 H GLY 56 -1.653 10.800 -10.688 434 HA2 GLY 56 2HA GLY 56 -0.121 13.221 -11.425 435 HA3 GLY 56 3HA GLY 56 -1.230 13.075 -10.055 436 H LEU 57 H LEU 57 -0.575 11.758 -8.156 437 HA LEU 57 HA LEU 57 2.225 12.250 -7.687 438 HB2 LEU 57 2HB LEU 57 -0.007 11.103 -5.942 439 HB3 LEU 57 3HB LEU 57 1.620 11.500 -5.373 440 HG LEU 57 HG LEU 57 -0.388 13.510 -6.522 441 HD11 LEU 57 1HD1 LEU 57 -0.528 14.326 -4.198 442 HD12 LEU 57 2HD1 LEU 57 -1.070 12.619 -4.332 443 HD13 LEU 57 3HD1 LEU 57 0.554 12.995 -3.664 444 HD21 LEU 57 3HD2 LEU 57 1.964 14.112 -6.967 445 HD22 LEU 57 1HD2 LEU 57 1.242 15.192 -5.726 446 HD23 LEU 57 2HD2 LEU 57 2.359 13.875 -5.231 447 H SER 58 H SER 58 3.776 10.659 -6.890 448 HA SER 58 HA SER 58 3.210 7.957 -7.891 449 HB2 SER 58 2HB SER 58 5.617 7.643 -7.739 450 HB3 SER 58 3HB SER 58 5.266 9.119 -8.649 451 HG SER 58 HG SER 58 6.955 9.416 -7.096 452 H ALA 59 H ALA 59 4.006 6.084 -6.520 453 HA ALA 59 HA ALA 59 3.645 6.705 -3.655 454 HB1 ALA 59 3HB ALA 59 2.565 4.335 -5.258 455 HB2 ALA 59 1HB ALA 59 2.445 4.539 -3.477 456 HB3 ALA 59 2HB ALA 59 1.600 5.685 -4.572 457 H TYR 60 H TYR 60 5.048 5.678 -2.215 458 HA TYR 60 HA TYR 60 6.689 3.492 -3.070 459 HB2 TYR 60 2HB TYR 60 8.837 4.676 -2.916 460 HB3 TYR 60 3HB TYR 60 7.855 5.318 -4.239 461 HD1 TYR 60 HD1 TYR 60 6.793 7.558 -4.046 462 HD2 TYR 60 HD2 TYR 60 9.393 6.043 -0.984 463 HE1 TYR 60 HE1 TYR 60 7.033 9.842 -3.122 464 HE2 TYR 60 HE2 TYR 60 9.634 8.325 -0.053 465 HH TYR 60 HH TYR 60 9.082 10.456 -0.224 466 H ALA 61 H ALA 61 8.369 2.972 -1.270 467 HA ALA 61 HA ALA 61 8.784 2.516 0.863 468 HB1 ALA 61 3HB ALA 61 7.883 5.415 1.230 469 HB2 ALA 61 1HB ALA 61 8.801 4.443 2.429 470 HB3 ALA 61 2HB ALA 61 9.547 4.858 0.848 471 H VAL 62 H VAL 62 6.372 1.385 0.154 472 HA VAL 62 HA VAL 62 4.569 1.973 2.341 473 HB VAL 62 HB VAL 62 4.582 -0.201 0.185 474 HG11 VAL 62 1HG1 VAL 62 2.272 -0.686 0.925 475 HG12 VAL 62 2HG1 VAL 62 3.472 -1.005 2.223 476 HG13 VAL 62 3HG1 VAL 62 2.465 0.481 2.277 477 HG21 VAL 62 3HG2 VAL 62 4.180 2.066 -0.677 478 HG22 VAL 62 1HG2 VAL 62 2.679 1.082 -0.743 479 HG23 VAL 62 2HG2 VAL 62 2.888 2.316 0.546 480 H LYS 63 H LYS 63 4.273 0.651 4.201 481 HA LYS 63 HA LYS 63 6.286 -1.479 4.524 482 HB2 LYS 63 2HB LYS 63 5.497 0.721 6.495 483 HB3 LYS 63 3HB LYS 63 6.483 -0.687 6.910 484 HG2 LYS 63 2HG LYS 63 8.203 0.036 5.243 485 HG3 LYS 63 3HG LYS 63 7.219 1.452 4.849 486 HD2 LYS 63 2HD LYS 63 7.357 2.199 7.244 487 HD3 LYS 63 3HD LYS 63 8.369 0.796 7.615 488 HE2 LYS 63 2HE LYS 63 10.053 1.586 5.924 489 HE3 LYS 63 3HE LYS 63 9.049 3.006 5.603 490 HZ1 LYS 63 3HZ LYS 63 10.252 2.327 8.211 491 HZ2 LYS 63 1HZ LYS 63 10.778 3.485 7.187 492 HZ3 LYS 63 2HZ LYS 63 9.325 3.637 7.915 493 H VAL 64 H VAL 64 5.302 -3.411 4.945 494 HA VAL 64 HA VAL 64 2.681 -3.283 6.258 495 HB VAL 64 HB VAL 64 3.997 -5.504 4.609 496 HG11 VAL 64 1HG1 VAL 64 1.800 -6.636 4.774 497 HG12 VAL 64 2HG1 VAL 64 2.562 -6.418 6.385 498 HG13 VAL 64 3HG1 VAL 64 1.220 -5.339 5.873 499 HG21 VAL 64 3HG2 VAL 64 3.275 -3.586 3.250 500 HG22 VAL 64 1HG2 VAL 64 2.211 -5.005 2.968 501 HG23 VAL 64 2HG2 VAL 64 1.646 -3.650 4.003 502 H VAL 65 H VAL 65 2.320 -4.424 8.219 503 HA VAL 65 HA VAL 65 4.761 -4.727 9.686 504 HB VAL 65 HB VAL 65 1.811 -4.976 10.464 505 HG11 VAL 65 1HG1 VAL 65 2.604 -4.910 12.808 506 HG12 VAL 65 2HG1 VAL 65 3.198 -6.367 11.942 507 HG13 VAL 65 3HG1 VAL 65 4.303 -4.981 12.230 508 HG21 VAL 65 3HG2 VAL 65 2.510 -2.711 9.818 509 HG22 VAL 65 1HG2 VAL 65 2.208 -2.807 11.586 510 HG23 VAL 65 2HG2 VAL 65 3.892 -2.797 10.962 511 HA PRO 66 HA PRO 66 4.848 -9.121 9.044 512 HB2 PRO 66 2HB PRO 66 7.152 -9.624 10.481 513 HB3 PRO 66 3HB PRO 66 7.231 -8.757 8.942 514 HG2 PRO 66 2HG PRO 66 7.220 -7.631 11.765 515 HG3 PRO 66 3HG PRO 66 8.272 -7.208 10.408 516 HD2 PRO 66 2HD PRO 66 6.105 -5.677 11.049 517 HD3 PRO 66 3HD PRO 66 6.626 -5.868 9.370 518 H LEU 67 H LEU 67 5.215 -11.206 10.387 519 HA LEU 67 HA LEU 67 3.715 -10.825 12.904 520 HB2 LEU 67 2HB LEU 67 3.720 -13.141 10.908 521 HB3 LEU 67 3HB LEU 67 2.907 -13.171 12.478 522 HG LEU 67 HG LEU 67 2.257 -11.210 10.214 523 HD11 LEU 67 1HD1 LEU 67 0.205 -12.557 9.952 524 HD12 LEU 67 2HD1 LEU 67 1.678 -13.533 9.636 525 HD13 LEU 67 3HD1 LEU 67 0.801 -13.711 11.192 526 HD21 LEU 67 3HD2 LEU 67 1.811 -10.322 12.473 527 HD22 LEU 67 1HD2 LEU 67 0.281 -10.691 11.608 528 HD23 LEU 67 2HD2 LEU 67 0.885 -11.806 12.880 529 H GLU 68 H GLU 68 6.635 -10.608 12.734 530 HA GLU 68 HA GLU 68 8.529 -11.479 13.495 531 HB2 GLU 68 2HB GLU 68 6.606 -13.015 15.309 532 HB3 GLU 68 3HB GLU 68 8.352 -12.890 15.561 533 HG2 GLU 68 2HG GLU 68 8.132 -10.406 15.782 534 HG3 GLU 68 3HG GLU 68 6.384 -10.548 15.557 535 H HIS 69 H HIS 69 7.499 -12.772 11.111 536 HA HIS 69 HA HIS 69 9.040 -15.171 11.231 537 HB2 HIS 69 2HB HIS 69 6.906 -15.971 12.260 538 HB3 HIS 69 3HB HIS 69 6.015 -15.412 10.839 539 HD2 HIS 69 HD2 HIS 69 5.812 -17.290 8.840 540 HE1 HIS 69 HE1 HIS 69 8.859 -19.945 10.250 541 H HIS 70 H HIS 70 9.762 -15.729 9.153 542 HA HIS 70 HA HIS 70 8.270 -14.871 6.846 543 HB2 HIS 70 2HB HIS 70 9.983 -13.437 5.906 544 HB3 HIS 70 3HB HIS 70 9.491 -12.787 7.476 545 HD2 HIS 70 HD2 HIS 70 12.680 -14.110 5.693 546 HE1 HIS 70 HE1 HIS 70 13.718 -13.269 9.759 547 H HIS 71 H HIS 71 9.486 -15.572 4.768 548 HA HIS 71 HA HIS 71 11.399 -17.730 5.371 549 HB2 HIS 71 2HB HIS 71 9.042 -17.789 3.425 550 HB3 HIS 71 3HB HIS 71 10.337 -18.994 3.460 551 HD2 HIS 71 HD2 HIS 71 7.030 -18.163 5.310 552 HE1 HIS 71 HE1 HIS 71 8.865 -21.445 7.357 553 H HIS 72 H HIS 72 13.028 -18.088 3.731 554 HA HIS 72 HA HIS 72 13.283 -15.808 1.894 555 HB2 HIS 72 2HB HIS 72 15.325 -17.799 2.999 556 HB3 HIS 72 3HB HIS 72 15.691 -16.566 1.785 557 HD2 HIS 72 HD2 HIS 72 15.251 -16.890 5.637 558 HE1 HIS 72 HE1 HIS 72 15.925 -12.758 4.738 559 H HIS 73 H HIS 73 13.620 -16.130 -0.353 560 HA HIS 73 HA HIS 73 13.375 -18.922 -1.253 561 HB2 HIS 73 2HB HIS 73 11.811 -16.507 -2.294 562 HB3 HIS 73 3HB HIS 73 11.812 -18.116 -3.027 563 HD2 HIS 73 HD2 HIS 73 9.999 -16.171 -0.226 564 HE1 HIS 73 HE1 HIS 73 8.843 -20.276 0.130 565 H HIS 74 H HIS 74 13.929 -19.097 -3.693 566 HA HIS 74 HA HIS 74 16.450 -17.855 -4.096 567 HB2 HIS 74 2HB HIS 74 15.714 -20.164 -4.882 568 HB3 HIS 74 3HB HIS 74 14.702 -19.369 -6.095 569 HD2 HIS 74 HD2 HIS 74 18.381 -20.444 -5.584 570 HE1 HIS 74 HE1 HIS 74 18.227 -18.074 -9.147 Start of MODEL 3 1 H1 MET 1 1H MET 1 3.531 13.257 7.315 2 H2 MET 1 2H MET 1 4.277 12.098 8.190 3 H3 MET 1 3H MET 1 5.157 13.266 7.465 4 HA MET 1 HA MET 1 3.573 12.027 5.564 5 HB2 MET 1 2HB MET 1 6.592 12.117 6.029 6 HB3 MET 1 3HB MET 1 5.816 11.552 4.544 7 HG2 MET 1 2HG MET 1 5.600 14.374 5.698 8 HG3 MET 1 3HG MET 1 6.648 13.885 4.360 9 HE1 MET 1 3HE MET 1 4.748 11.935 2.489 10 HE2 MET 1 1HE MET 1 4.315 13.293 1.396 11 HE3 MET 1 2HE MET 1 5.962 13.201 2.106 12 H ALA 2 H ALA 2 2.890 10.543 7.816 13 HA ALA 2 HA ALA 2 3.919 7.934 7.026 14 HB1 ALA 2 3HB ALA 2 4.006 8.993 9.894 15 HB2 ALA 2 1HB ALA 2 4.317 7.297 9.393 16 HB3 ALA 2 2HB ALA 2 5.422 8.608 8.858 17 H MET 3 H MET 3 1.863 7.360 6.204 18 HA MET 3 HA MET 3 -0.402 7.771 8.046 19 HB2 MET 3 2HB MET 3 -0.249 7.383 5.020 20 HB3 MET 3 3HB MET 3 -1.756 7.470 5.943 21 HG2 MET 3 2HG MET 3 -1.159 9.776 6.689 22 HG3 MET 3 3HG MET 3 0.339 9.688 5.754 23 HE1 MET 3 3HE MET 3 -0.505 12.011 4.748 24 HE2 MET 3 1HE MET 3 -1.959 12.196 3.710 25 HE3 MET 3 2HE MET 3 -2.145 11.938 5.477 26 H ASN 4 H ASN 4 -1.898 6.038 8.443 27 HA ASN 4 HA ASN 4 -0.674 3.413 7.917 28 HB2 ASN 4 2HB ASN 4 -2.468 4.370 10.179 29 HB3 ASN 4 3HB ASN 4 -2.007 2.683 9.915 30 HD21 ASN 4 1HD2 ASN 4 -1.493 4.290 12.208 31 HD22 ASN 4 2HD2 ASN 4 0.225 4.296 12.422 32 H GLY 5 H GLY 5 -2.153 1.579 7.468 33 HA2 GLY 5 2HA GLY 5 -4.926 2.173 6.950 34 HA3 GLY 5 3HA GLY 5 -3.956 1.990 5.483 35 H THR 6 H THR 6 -5.792 0.126 5.474 36 HA THR 6 HA THR 6 -4.463 -2.248 6.578 37 HB THR 6 HB THR 6 -6.486 -1.723 7.919 38 HG1 THR 6 HG1 THR 6 -6.016 -3.943 7.607 39 HG21 THR 6 3HG2 THR 6 -7.958 -1.992 5.252 40 HG22 THR 6 1HG2 THR 6 -8.726 -1.832 6.868 41 HG23 THR 6 2HG2 THR 6 -7.748 -0.481 6.201 42 H ILE 7 H ILE 7 -4.424 -4.091 5.197 43 HA ILE 7 HA ILE 7 -4.925 -3.544 2.435 44 HB ILE 7 HB ILE 7 -4.040 -6.062 3.933 45 HG12 ILE 7 2HG1 ILE 7 -2.465 -4.150 2.148 46 HG13 ILE 7 3HG1 ILE 7 -2.507 -4.040 3.913 47 HG21 ILE 7 1HG2 ILE 7 -3.418 -6.949 1.710 48 HG22 ILE 7 2HG2 ILE 7 -5.187 -6.668 1.846 49 HG23 ILE 7 3HG2 ILE 7 -4.162 -5.511 0.932 50 HD11 ILE 7 3HD1 ILE 7 -1.501 -6.427 2.298 51 HD12 ILE 7 1HD1 ILE 7 -0.490 -5.209 3.147 52 HD13 ILE 7 2HD1 ILE 7 -1.544 -6.316 4.090 53 H THR 8 H THR 8 -6.800 -3.969 1.296 54 HA THR 8 HA THR 8 -8.873 -5.446 2.701 55 HB THR 8 HB THR 8 -8.920 -3.829 0.096 56 HG1 THR 8 HG1 THR 8 -10.386 -3.050 2.397 57 HG21 THR 8 3HG2 THR 8 -11.192 -5.057 1.733 58 HG22 THR 8 1HG2 THR 8 -11.383 -3.988 0.303 59 HG23 THR 8 2HG2 THR 8 -10.630 -5.608 0.118 60 H THR 9 H THR 9 -6.874 -5.568 -0.325 61 HA THR 9 HA THR 9 -7.479 -8.396 -0.468 62 HB THR 9 HB THR 9 -9.238 -7.347 -1.888 63 HG1 THR 9 HG1 THR 9 -7.608 -8.353 -3.921 64 HG21 THR 9 3HG2 THR 9 -6.860 -6.239 -3.460 65 HG22 THR 9 1HG2 THR 9 -8.583 -6.155 -3.959 66 HG23 THR 9 2HG2 THR 9 -8.030 -5.281 -2.491 67 H TRP 10 H TRP 10 -5.882 -9.586 -1.795 68 HA TRP 10 HA TRP 10 -3.508 -8.000 -2.458 69 HB2 TRP 10 2HB TRP 10 -3.395 -8.725 -0.033 70 HB3 TRP 10 3HB TRP 10 -3.503 -10.407 -0.570 71 HD1 TRP 10 HD1 TRP 10 -1.335 -11.482 -1.759 72 HE1 TRP 10 HE1 TRP 10 1.147 -10.756 -1.819 73 HE3 TRP 10 HE3 TRP 10 -1.874 -6.639 -0.129 74 HZ2 TRP 10 HZ2 TRP 10 2.671 -8.458 -1.264 75 HZ3 TRP 10 HZ3 TRP 10 0.161 -5.218 0.081 76 HH2 TRP 10 HH2 TRP 10 2.377 -6.099 -0.472 77 H PHE 11 H PHE 11 -2.587 -8.720 -4.352 78 HA PHE 11 HA PHE 11 -3.193 -11.506 -5.125 79 HB2 PHE 11 2HB PHE 11 -2.722 -9.058 -6.897 80 HB3 PHE 11 3HB PHE 11 -2.980 -10.710 -7.471 81 HD1 PHE 11 HD1 PHE 11 -5.201 -11.796 -7.219 82 HD2 PHE 11 HD2 PHE 11 -4.557 -7.692 -6.123 83 HE1 PHE 11 HE1 PHE 11 -7.645 -11.413 -7.221 84 HE2 PHE 11 HE2 PHE 11 -7.001 -7.309 -6.126 85 HZ PHE 11 HZ PHE 11 -8.551 -9.165 -6.678 86 H LYS 12 H LYS 12 -1.287 -12.405 -4.154 87 HA LYS 12 HA LYS 12 1.266 -11.255 -4.481 88 HB2 LYS 12 2HB LYS 12 2.080 -13.339 -3.584 89 HB3 LYS 12 3HB LYS 12 0.599 -12.907 -2.720 90 HG2 LYS 12 2HG LYS 12 -0.689 -14.521 -4.134 91 HG3 LYS 12 3HG LYS 12 0.801 -14.960 -4.981 92 HD2 LYS 12 2HD LYS 12 1.813 -15.684 -2.796 93 HD3 LYS 12 3HD LYS 12 0.301 -15.278 -1.973 94 HE2 LYS 12 2HE LYS 12 -0.920 -16.924 -3.414 95 HE3 LYS 12 3HE LYS 12 0.596 -17.335 -4.225 96 HZ1 LYS 12 3HZ LYS 12 0.055 -17.696 -1.347 97 HZ2 LYS 12 1HZ LYS 12 0.085 -18.880 -2.470 98 HZ3 LYS 12 2HZ LYS 12 1.455 -18.075 -2.096 99 H ASP 13 H ASP 13 -0.777 -13.206 -6.632 100 HA ASP 13 HA ASP 13 1.386 -14.229 -8.192 101 HB2 ASP 13 2HB ASP 13 -1.623 -13.956 -8.604 102 HB3 ASP 13 3HB ASP 13 -0.555 -14.629 -9.843 103 H LYS 14 H LYS 14 -0.547 -11.210 -8.163 104 HA LYS 14 HA LYS 14 0.646 -10.464 -10.743 105 HB2 LYS 14 2HB LYS 14 -1.578 -9.221 -9.056 106 HB3 LYS 14 3HB LYS 14 -0.972 -8.546 -10.574 107 HG2 LYS 14 2HG LYS 14 -1.682 -10.620 -11.774 108 HG3 LYS 14 3HG LYS 14 -2.295 -11.286 -10.255 109 HD2 LYS 14 2HD LYS 14 -3.878 -9.364 -10.042 110 HD3 LYS 14 3HD LYS 14 -3.255 -8.676 -11.548 111 HE2 LYS 14 2HE LYS 14 -3.958 -10.759 -12.770 112 HE3 LYS 14 3HE LYS 14 -4.618 -11.407 -11.263 113 HZ1 LYS 14 3HZ LYS 14 -5.514 -8.926 -12.585 114 HZ2 LYS 14 1HZ LYS 14 -6.309 -10.352 -12.588 115 HZ3 LYS 14 2HZ LYS 14 -6.124 -9.524 -11.193 116 H GLY 15 H GLY 15 1.170 -10.131 -7.326 117 HA2 GLY 15 2HA GLY 15 2.636 -8.866 -6.185 118 HA3 GLY 15 3HA GLY 15 3.243 -8.225 -7.718 119 H PHE 16 H PHE 16 -0.131 -8.020 -6.305 120 HA PHE 16 HA PHE 16 0.094 -5.129 -6.225 121 HB2 PHE 16 2HB PHE 16 -0.212 -5.598 -8.642 122 HB3 PHE 16 3HB PHE 16 -1.639 -6.580 -8.286 123 HD1 PHE 16 HD1 PHE 16 -0.261 -3.117 -8.148 124 HD2 PHE 16 HD2 PHE 16 -3.772 -5.583 -7.930 125 HE1 PHE 16 HE1 PHE 16 -1.688 -1.100 -8.287 126 HE2 PHE 16 HE2 PHE 16 -5.198 -3.564 -8.069 127 HZ PHE 16 HZ PHE 16 -4.157 -1.319 -8.247 128 H GLY 17 H GLY 17 -1.614 -4.160 -5.013 129 HA2 GLY 17 2HA GLY 17 -3.871 -5.799 -4.236 130 HA3 GLY 17 3HA GLY 17 -2.677 -5.537 -2.958 131 H PHE 18 H PHE 18 -4.922 -4.495 -2.138 132 HA PHE 18 HA PHE 18 -4.891 -1.662 -2.934 133 HB2 PHE 18 2HB PHE 18 -6.724 -2.606 -4.169 134 HB3 PHE 18 3HB PHE 18 -7.250 -3.585 -2.794 135 HD1 PHE 18 HD1 PHE 18 -6.695 0.025 -3.719 136 HD2 PHE 18 HD2 PHE 18 -9.017 -2.824 -1.493 137 HE1 PHE 18 HE1 PHE 18 -8.247 1.826 -3.028 138 HE2 PHE 18 HE2 PHE 18 -10.565 -1.021 -0.803 139 HZ PHE 18 HZ PHE 18 -10.182 1.308 -1.569 140 H ILE 19 H ILE 19 -5.176 -0.199 -1.226 141 HA ILE 19 HA ILE 19 -5.566 -1.450 1.399 142 HB ILE 19 HB ILE 19 -3.380 0.527 0.568 143 HG12 ILE 19 2HG1 ILE 19 -3.192 -2.263 1.796 144 HG13 ILE 19 3HG1 ILE 19 -3.038 -1.928 0.067 145 HG21 ILE 19 1HG2 ILE 19 -2.679 0.468 2.940 146 HG22 ILE 19 2HG2 ILE 19 -4.327 1.158 2.747 147 HG23 ILE 19 3HG2 ILE 19 -4.121 -0.526 3.337 148 HD11 ILE 19 3HD1 ILE 19 -1.229 -0.826 2.264 149 HD12 ILE 19 1HD1 ILE 19 -0.835 -2.156 1.123 150 HD13 ILE 19 2HD1 ILE 19 -1.073 -0.485 0.507 151 H LYS 20 H LYS 20 -6.721 -0.182 2.918 152 HA LYS 20 HA LYS 20 -7.772 2.346 1.838 153 HB2 LYS 20 2HB LYS 20 -8.791 0.440 3.999 154 HB3 LYS 20 3HB LYS 20 -9.527 2.005 3.627 155 HG2 LYS 20 2HG LYS 20 -10.002 1.235 1.303 156 HG3 LYS 20 3HG LYS 20 -9.255 -0.327 1.665 157 HD2 LYS 20 2HD LYS 20 -10.937 -0.719 3.473 158 HD3 LYS 20 3HD LYS 20 -11.680 0.848 3.125 159 HE2 LYS 20 2HE LYS 20 -12.163 0.092 0.784 160 HE3 LYS 20 3HE LYS 20 -11.434 -1.479 1.146 161 HZ1 LYS 20 3HZ LYS 20 -13.797 -0.346 2.503 162 HZ2 LYS 20 1HZ LYS 20 -13.815 -1.533 1.381 163 HZ3 LYS 20 2HZ LYS 20 -13.124 -1.796 2.837 164 H ASP 21 H ASP 21 -7.116 4.259 2.744 165 HA ASP 21 HA ASP 21 -5.262 4.139 4.942 166 HB2 ASP 21 2HB ASP 21 -5.038 5.644 2.926 167 HB3 ASP 21 3HB ASP 21 -6.468 6.530 3.472 168 H GLU 22 H GLU 22 -5.618 4.718 7.093 169 HA GLU 22 HA GLU 22 -8.196 4.904 8.132 170 HB2 GLU 22 2HB GLU 22 -5.476 5.830 9.159 171 HB3 GLU 22 3HB GLU 22 -6.952 5.922 10.128 172 HG2 GLU 22 2HG GLU 22 -7.230 3.467 9.993 173 HG3 GLU 22 3HG GLU 22 -5.812 3.342 8.944 174 H ASN 23 H ASN 23 -6.313 7.286 6.374 175 HA ASN 23 HA ASN 23 -7.701 9.529 7.544 176 HB2 ASN 23 2HB ASN 23 -5.855 9.245 5.144 177 HB3 ASN 23 3HB ASN 23 -6.575 10.774 5.664 178 HD21 ASN 23 1HD2 ASN 23 -3.859 9.035 5.748 179 HD22 ASN 23 2HD2 ASN 23 -3.131 9.686 7.179 180 H GLY 24 H GLY 24 -8.663 7.038 5.442 181 HA2 GLY 24 2HA GLY 24 -10.848 6.953 4.684 182 HA3 GLY 24 3HA GLY 24 -10.920 8.720 4.645 183 H ASP 25 H ASP 25 -7.945 8.034 3.253 184 HA ASP 25 HA ASP 25 -9.069 8.296 0.584 185 HB2 ASP 25 2HB ASP 25 -6.259 8.434 1.759 186 HB3 ASP 25 3HB ASP 25 -6.563 8.462 0.017 187 H ASN 26 H ASN 26 -9.315 6.608 -0.831 188 HA ASN 26 HA ASN 26 -8.147 4.051 -0.009 189 HB2 ASN 26 2HB ASN 26 -10.392 4.761 -1.934 190 HB3 ASN 26 3HB ASN 26 -9.755 3.126 -1.713 191 HD21 ASN 26 1HD2 ASN 26 -12.415 4.000 -1.277 192 HD22 ASN 26 2HD2 ASN 26 -12.785 3.645 0.378 193 H ARG 27 H ARG 27 -6.472 3.117 -1.159 194 HA ARG 27 HA ARG 27 -5.823 4.304 -3.753 195 HB2 ARG 27 2HB ARG 27 -3.928 4.253 -1.391 196 HB3 ARG 27 3HB ARG 27 -3.473 4.609 -3.062 197 HG2 ARG 27 2HG ARG 27 -5.503 6.212 -1.447 198 HG3 ARG 27 3HG ARG 27 -3.789 6.625 -1.594 199 HD2 ARG 27 2HD ARG 27 -4.084 6.762 -4.061 200 HD3 ARG 27 3HD ARG 27 -5.814 6.471 -3.836 201 HE ARG 27 HE ARG 27 -4.341 8.931 -3.242 202 HH11 ARG 27 1HH1 ARG 27 -7.368 7.171 -2.950 203 HH12 ARG 27 2HH1 ARG 27 -8.293 8.591 -2.591 204 HH21 ARG 27 1HH2 ARG 27 -5.539 10.744 -2.796 205 HH22 ARG 27 2HH2 ARG 27 -7.243 10.645 -2.503 206 H TYR 28 H TYR 28 -4.516 2.944 -5.113 207 HA TYR 28 HA TYR 28 -4.289 0.187 -4.137 208 HB2 TYR 28 2HB TYR 28 -4.146 1.471 -6.906 209 HB3 TYR 28 3HB TYR 28 -3.759 -0.228 -6.605 210 HD1 TYR 28 HD1 TYR 28 -5.522 -1.836 -6.002 211 HD2 TYR 28 HD2 TYR 28 -6.459 2.282 -6.770 212 HE1 TYR 28 HE1 TYR 28 -7.918 -2.421 -6.200 213 HE2 TYR 28 HE2 TYR 28 -8.857 1.703 -6.969 214 HH TYR 28 HH TYR 28 -10.383 0.110 -6.906 215 H PHE 29 H PHE 29 -2.288 -0.948 -4.127 216 HA PHE 29 HA PHE 29 0.084 0.748 -4.552 217 HB2 PHE 29 2HB PHE 29 -0.581 -0.994 -2.130 218 HB3 PHE 29 3HB PHE 29 1.026 -0.337 -2.465 219 HD1 PHE 29 HD1 PHE 29 1.484 2.060 -2.237 220 HD2 PHE 29 HD2 PHE 29 -2.415 0.455 -1.409 221 HE1 PHE 29 HE1 PHE 29 0.867 4.157 -1.076 222 HE2 PHE 29 HE2 PHE 29 -3.030 2.555 -0.249 223 HZ PHE 29 HZ PHE 29 -1.392 4.407 -0.080 224 H HIS 30 H HIS 30 1.968 -0.370 -5.265 225 HA HIS 30 HA HIS 30 1.471 -3.191 -5.963 226 HB2 HIS 30 2HB HIS 30 1.836 -1.399 -7.806 227 HB3 HIS 30 3HB HIS 30 3.508 -1.315 -7.238 228 HD2 HIS 30 HD2 HIS 30 1.333 -3.452 -9.577 229 HE1 HIS 30 HE1 HIS 30 4.997 -5.586 -8.992 230 H VAL 31 H VAL 31 3.197 -4.739 -5.617 231 HA VAL 31 HA VAL 31 4.337 -4.370 -3.110 232 HB VAL 31 HB VAL 31 5.496 -6.516 -3.552 233 HG11 VAL 31 1HG1 VAL 31 3.496 -7.889 -4.048 234 HG12 VAL 31 2HG1 VAL 31 3.121 -6.547 -2.914 235 HG13 VAL 31 3HG1 VAL 31 2.644 -6.424 -4.641 236 HG21 VAL 31 3HG2 VAL 31 6.186 -6.095 -5.872 237 HG22 VAL 31 1HG2 VAL 31 5.261 -7.629 -5.749 238 HG23 VAL 31 2HG2 VAL 31 4.473 -6.155 -6.406 239 H ILE 32 H ILE 32 5.513 -3.482 -6.330 240 HA ILE 32 HA ILE 32 8.255 -3.583 -5.818 241 HB ILE 32 HB ILE 32 6.514 -1.907 -7.680 242 HG12 ILE 32 2HG1 ILE 32 8.569 -4.091 -8.260 243 HG13 ILE 32 3HG1 ILE 32 6.847 -4.412 -8.019 244 HG21 ILE 32 1HG2 ILE 32 8.592 -1.169 -8.801 245 HG22 ILE 32 2HG2 ILE 32 8.491 -0.560 -7.115 246 HG23 ILE 32 3HG2 ILE 32 9.563 -1.947 -7.506 247 HD11 ILE 32 3HD1 ILE 32 8.040 -2.628 -10.190 248 HD12 ILE 32 1HD1 ILE 32 7.398 -4.291 -10.408 249 HD13 ILE 32 2HD1 ILE 32 6.291 -2.954 -9.945 250 H LYS 33 H LYS 33 5.722 -1.231 -4.868 251 HA LYS 33 HA LYS 33 7.738 0.743 -4.144 252 HB2 LYS 33 2HB LYS 33 4.690 0.748 -3.895 253 HB3 LYS 33 3HB LYS 33 5.754 2.120 -3.561 254 HG2 LYS 33 2HG LYS 33 5.360 0.766 -6.276 255 HG3 LYS 33 3HG LYS 33 4.693 2.327 -5.779 256 HD2 LYS 33 2HD LYS 33 7.030 3.200 -5.451 257 HD3 LYS 33 3HD LYS 33 7.674 1.647 -5.999 258 HE2 LYS 33 2HE LYS 33 6.505 1.941 -8.194 259 HE3 LYS 33 3HE LYS 33 5.868 3.497 -7.645 260 HZ1 LYS 33 3HZ LYS 33 8.729 2.839 -7.942 261 HZ2 LYS 33 1HZ LYS 33 7.850 3.766 -8.959 262 HZ3 LYS 33 2HZ LYS 33 8.141 4.275 -7.435 263 H VAL 34 H VAL 34 6.898 -2.103 -2.752 264 HA VAL 34 HA VAL 34 6.519 -0.980 -0.081 265 HB VAL 34 HB VAL 34 6.367 -3.871 -1.078 266 HG11 VAL 34 1HG1 VAL 34 5.324 -4.324 1.121 267 HG12 VAL 34 2HG1 VAL 34 7.005 -3.715 1.291 268 HG13 VAL 34 3HG1 VAL 34 5.617 -2.619 1.606 269 HG21 VAL 34 3HG2 VAL 34 4.573 -2.474 -2.010 270 HG22 VAL 34 1HG2 VAL 34 3.924 -3.609 -0.779 271 HG23 VAL 34 2HG2 VAL 34 4.164 -1.878 -0.366 272 H ALA 35 H ALA 35 8.246 -0.849 1.331 273 HA ALA 35 HA ALA 35 10.822 -1.617 0.424 274 HB1 ALA 35 3HB ALA 35 9.804 -0.708 3.162 275 HB2 ALA 35 1HB ALA 35 11.526 -0.804 2.663 276 HB3 ALA 35 2HB ALA 35 10.419 0.353 1.849 277 H ASN 36 H ASN 36 8.497 -3.024 2.845 278 HA ASN 36 HA ASN 36 10.258 -5.173 3.479 279 HB2 ASN 36 2HB ASN 36 7.283 -4.701 3.852 280 HB3 ASN 36 3HB ASN 36 8.081 -6.201 4.341 281 HD21 ASN 36 1HD2 ASN 36 6.794 -4.777 6.191 282 HD22 ASN 36 2HD2 ASN 36 7.930 -4.100 7.310 283 HA PRO 37 HA PRO 37 10.014 -7.875 0.154 284 HB2 PRO 37 2HB PRO 37 9.023 -10.017 2.114 285 HB3 PRO 37 3HB PRO 37 10.363 -10.121 0.965 286 HG2 PRO 37 2HG PRO 37 10.897 -9.735 3.545 287 HG3 PRO 37 3HG PRO 37 11.816 -8.836 2.331 288 HD2 PRO 37 2HD PRO 37 9.590 -7.869 4.137 289 HD3 PRO 37 3HD PRO 37 11.015 -6.996 3.557 290 H ASP 38 H ASP 38 8.720 -8.382 -1.514 291 HA ASP 38 HA ASP 38 5.979 -7.846 -1.338 292 HB2 ASP 38 2HB ASP 38 5.883 -8.778 -3.602 293 HB3 ASP 38 3HB ASP 38 7.283 -7.713 -3.422 294 H LEU 39 H LEU 39 7.712 -10.538 -0.094 295 HA LEU 39 HA LEU 39 5.587 -12.460 -0.571 296 HB2 LEU 39 2HB LEU 39 8.132 -12.537 1.122 297 HB3 LEU 39 3HB LEU 39 7.035 -13.903 0.882 298 HG LEU 39 HG LEU 39 8.589 -12.498 -1.353 299 HD11 LEU 39 1HD1 LEU 39 9.957 -14.552 -1.373 300 HD12 LEU 39 2HD1 LEU 39 10.068 -13.701 0.205 301 HD13 LEU 39 3HD1 LEU 39 9.050 -15.172 0.048 302 HD21 LEU 39 3HD2 LEU 39 6.452 -13.491 -2.089 303 HD22 LEU 39 1HD2 LEU 39 7.851 -14.434 -2.704 304 HD23 LEU 39 2HD2 LEU 39 6.899 -15.045 -1.309 305 H ILE 40 H ILE 40 5.818 -9.759 1.410 306 HA ILE 40 HA ILE 40 4.717 -11.163 3.737 307 HB ILE 40 HB ILE 40 5.884 -8.342 3.477 308 HG12 ILE 40 2HG1 ILE 40 7.604 -10.063 3.234 309 HG13 ILE 40 3HG1 ILE 40 7.771 -9.231 4.785 310 HG21 ILE 40 1HG2 ILE 40 5.773 -8.314 5.945 311 HG22 ILE 40 2HG2 ILE 40 4.145 -8.479 5.205 312 HG23 ILE 40 3HG2 ILE 40 4.955 -9.913 5.923 313 HD11 ILE 40 3HD1 ILE 40 6.485 -11.966 4.358 314 HD12 ILE 40 1HD1 ILE 40 8.118 -11.647 5.035 315 HD13 ILE 40 2HD1 ILE 40 6.654 -11.121 5.934 316 H LYS 41 H LYS 41 2.477 -11.203 3.711 317 HA LYS 41 HA LYS 41 1.195 -8.582 3.271 318 HB2 LYS 41 2HB LYS 41 -0.744 -9.707 2.369 319 HB3 LYS 41 3HB LYS 41 0.677 -10.197 1.437 320 HG2 LYS 41 2HG LYS 41 0.772 -12.347 2.669 321 HG3 LYS 41 3HG LYS 41 -0.603 -11.856 3.666 322 HD2 LYS 41 2HD LYS 41 -2.014 -11.661 1.590 323 HD3 LYS 41 3HD LYS 41 -0.639 -12.206 0.621 324 HE2 LYS 41 2HE LYS 41 -0.574 -14.344 1.940 325 HE3 LYS 41 3HE LYS 41 -1.972 -13.799 2.875 326 HZ1 LYS 41 3HZ LYS 41 -1.943 -14.236 -0.043 327 HZ2 LYS 41 1HZ LYS 41 -2.620 -15.226 1.065 328 HZ3 LYS 41 2HZ LYS 41 -3.234 -13.733 0.820 329 H LYS 42 H LYS 42 -0.234 -7.900 4.886 330 HA LYS 42 HA LYS 42 -1.518 -9.780 6.592 331 HB2 LYS 42 2HB LYS 42 0.780 -9.736 7.606 332 HB3 LYS 42 3HB LYS 42 0.629 -7.987 7.826 333 HG2 LYS 42 2HG LYS 42 0.125 -9.009 9.939 334 HG3 LYS 42 3HG LYS 42 -1.403 -8.405 9.284 335 HD2 LYS 42 2HD LYS 42 -1.937 -10.696 8.422 336 HD3 LYS 42 3HD LYS 42 -0.411 -11.299 9.082 337 HE2 LYS 42 2HE LYS 42 -1.137 -10.647 11.381 338 HE3 LYS 42 3HE LYS 42 -2.655 -10.016 10.730 339 HZ1 LYS 42 3HZ LYS 42 -1.770 -12.826 10.560 340 HZ2 LYS 42 1HZ LYS 42 -2.912 -12.243 11.571 341 HZ3 LYS 42 2HZ LYS 42 -3.172 -12.243 9.959 342 H ASP 43 H ASP 43 -3.352 -8.816 7.580 343 HA ASP 43 HA ASP 43 -3.932 -6.278 6.267 344 HB2 ASP 43 2HB ASP 43 -6.263 -6.866 6.695 345 HB3 ASP 43 3HB ASP 43 -5.426 -8.211 5.911 346 H ALA 44 H ALA 44 -2.585 -7.066 9.216 347 HA ALA 44 HA ALA 44 -4.595 -5.807 10.900 348 HB1 ALA 44 3HB ALA 44 -1.920 -7.160 11.508 349 HB2 ALA 44 1HB ALA 44 -3.108 -6.589 12.729 350 HB3 ALA 44 2HB ALA 44 -3.544 -7.921 11.605 351 H ALA 45 H ALA 45 -2.120 -4.629 8.944 352 HA ALA 45 HA ALA 45 -1.995 -2.111 10.041 353 HB1 ALA 45 3HB ALA 45 0.286 -3.910 10.998 354 HB2 ALA 45 1HB ALA 45 0.228 -2.121 11.148 355 HB3 ALA 45 2HB ALA 45 -0.963 -3.136 12.030 356 H VAL 46 H VAL 46 -1.417 -0.934 8.243 357 HA VAL 46 HA VAL 46 1.157 -1.716 7.102 358 HB VAL 46 HB VAL 46 -1.285 -0.769 5.518 359 HG11 VAL 46 1HG1 VAL 46 0.189 -0.939 3.536 360 HG12 VAL 46 2HG1 VAL 46 0.776 0.294 4.702 361 HG13 VAL 46 3HG1 VAL 46 1.581 -1.309 4.608 362 HG21 VAL 46 3HG2 VAL 46 -1.347 -3.160 6.082 363 HG22 VAL 46 1HG2 VAL 46 -1.032 -2.925 4.329 364 HG23 VAL 46 2HG2 VAL 46 0.314 -3.370 5.432 365 H THR 47 H THR 47 2.548 0.077 6.620 366 HA THR 47 HA THR 47 1.325 2.714 7.047 367 HB THR 47 HB THR 47 4.194 1.831 7.665 368 HG1 THR 47 HG1 THR 47 2.055 2.700 9.440 369 HG21 THR 47 3HG2 THR 47 2.768 4.504 8.082 370 HG22 THR 47 1HG2 THR 47 4.429 4.099 8.634 371 HG23 THR 47 2HG2 THR 47 4.058 4.166 6.878 372 H PHE 48 H PHE 48 1.890 4.372 5.532 373 HA PHE 48 HA PHE 48 3.729 3.770 3.396 374 HB2 PHE 48 2HB PHE 48 1.942 3.912 1.635 375 HB3 PHE 48 3HB PHE 48 1.906 2.423 2.587 376 HD1 PHE 48 HD1 PHE 48 0.199 5.631 1.908 377 HD2 PHE 48 HD2 PHE 48 0.070 1.943 4.109 378 HE1 PHE 48 HE1 PHE 48 -2.180 6.042 2.459 379 HE2 PHE 48 HE2 PHE 48 -2.308 2.355 4.658 380 HZ PHE 48 HZ PHE 48 -3.438 4.406 3.835 381 H GLU 49 H GLU 49 3.590 5.609 1.667 382 HA GLU 49 HA GLU 49 3.118 8.114 3.096 383 HB2 GLU 49 2HB GLU 49 4.388 7.541 0.376 384 HB3 GLU 49 3HB GLU 49 4.340 9.110 1.191 385 HG2 GLU 49 2HG GLU 49 5.688 6.659 2.412 386 HG3 GLU 49 3HG GLU 49 6.534 7.791 1.349 387 HA PRO 50 HA PRO 50 -0.605 9.115 0.871 388 HB2 PRO 50 2HB PRO 50 -0.230 11.873 0.628 389 HB3 PRO 50 3HB PRO 50 -0.714 11.132 2.159 390 HG2 PRO 50 2HG PRO 50 2.058 11.955 1.230 391 HG3 PRO 50 3HG PRO 50 1.288 12.223 2.800 392 HD2 PRO 50 2HD PRO 50 3.071 10.206 2.475 393 HD3 PRO 50 3HD PRO 50 1.659 9.987 3.518 394 H THR 51 H THR 51 -1.367 9.269 -1.191 395 HA THR 51 HA THR 51 0.396 10.118 -3.280 396 HB THR 51 HB THR 51 1.362 7.878 -2.660 397 HG1 THR 51 HG1 THR 51 0.784 6.978 -4.989 398 HG21 THR 51 3HG2 THR 51 -1.381 6.860 -3.553 399 HG22 THR 51 1HG2 THR 51 0.054 5.841 -3.194 400 HG23 THR 51 2HG2 THR 51 -0.718 6.798 -1.885 401 H THR 52 H THR 52 -0.675 9.596 -5.525 402 HA THR 52 HA THR 52 -3.419 8.630 -5.199 403 HB THR 52 HB THR 52 -4.234 10.170 -6.902 404 HG1 THR 52 HG1 THR 52 -2.534 11.961 -7.448 405 HG21 THR 52 3HG2 THR 52 -2.574 11.659 -4.809 406 HG22 THR 52 1HG2 THR 52 -3.955 12.338 -5.735 407 HG23 THR 52 2HG2 THR 52 -4.226 10.994 -4.575 408 H ASN 53 H ASN 53 -4.293 7.937 -7.547 409 HA ASN 53 HA ASN 53 -2.902 6.074 -8.840 410 HB2 ASN 53 2HB ASN 53 -4.664 8.256 -10.001 411 HB3 ASN 53 3HB ASN 53 -4.042 6.912 -10.967 412 HD21 ASN 53 1HD2 ASN 53 -6.738 7.434 -10.593 413 HD22 ASN 53 2HD2 ASN 53 -7.431 6.073 -9.777 414 H ASN 54 H ASN 54 -1.638 6.073 -10.972 415 HA ASN 54 HA ASN 54 0.678 7.565 -10.215 416 HB2 ASN 54 2HB ASN 54 1.833 6.214 -11.835 417 HB3 ASN 54 3HB ASN 54 0.748 5.187 -10.888 418 HD21 ASN 54 1HD2 ASN 54 1.461 3.961 -12.954 419 HD22 ASN 54 2HD2 ASN 54 0.256 3.939 -14.198 420 H LYS 55 H LYS 55 -1.885 8.822 -11.692 421 HA LYS 55 HA LYS 55 -0.457 10.102 -13.888 422 HB2 LYS 55 2HB LYS 55 -3.279 10.405 -12.757 423 HB3 LYS 55 3HB LYS 55 -2.653 11.326 -14.130 424 HG2 LYS 55 2HG LYS 55 -2.288 9.188 -15.382 425 HG3 LYS 55 3HG LYS 55 -2.950 8.284 -14.014 426 HD2 LYS 55 2HD LYS 55 -5.109 9.535 -14.235 427 HD3 LYS 55 3HD LYS 55 -4.446 10.436 -15.604 428 HE2 LYS 55 2HE LYS 55 -4.123 8.303 -16.861 429 HE3 LYS 55 3HE LYS 55 -4.766 7.391 -15.488 430 HZ1 LYS 55 3HZ LYS 55 -6.256 9.417 -17.031 431 HZ2 LYS 55 1HZ LYS 55 -6.446 7.799 -17.142 432 HZ3 LYS 55 2HZ LYS 55 -6.849 8.576 -15.763 433 H GLY 56 H GLY 56 -1.410 10.707 -10.474 434 HA2 GLY 56 2HA GLY 56 -0.064 13.331 -10.744 435 HA3 GLY 56 3HA GLY 56 -1.274 12.924 -9.520 436 H LEU 57 H LEU 57 -0.622 11.888 -7.572 437 HA LEU 57 HA LEU 57 2.164 12.364 -7.061 438 HB2 LEU 57 2HB LEU 57 -0.138 11.349 -5.323 439 HB3 LEU 57 3HB LEU 57 1.481 11.731 -4.722 440 HG LEU 57 HG LEU 57 -0.420 13.739 -6.045 441 HD11 LEU 57 1HD1 LEU 57 -0.638 14.667 -3.772 442 HD12 LEU 57 2HD1 LEU 57 -1.228 12.973 -3.852 443 HD13 LEU 57 3HD1 LEU 57 0.376 13.332 -3.127 444 HD21 LEU 57 3HD2 LEU 57 1.971 14.246 -6.405 445 HD22 LEU 57 1HD2 LEU 57 1.230 15.406 -5.252 446 HD23 LEU 57 2HD2 LEU 57 2.277 14.080 -4.643 447 H SER 58 H SER 58 3.645 10.804 -6.033 448 HA SER 58 HA SER 58 3.067 8.050 -6.934 449 HB2 SER 58 2HB SER 58 5.494 7.784 -7.059 450 HB3 SER 58 3HB SER 58 4.970 9.145 -8.059 451 HG SER 58 HG SER 58 6.840 9.646 -6.790 452 H ALA 59 H ALA 59 3.928 6.276 -5.552 453 HA ALA 59 HA ALA 59 3.997 7.108 -2.718 454 HB1 ALA 59 3HB ALA 59 2.792 4.604 -3.995 455 HB2 ALA 59 1HB ALA 59 2.895 4.937 -2.233 456 HB3 ALA 59 2HB ALA 59 1.882 5.981 -3.287 457 H TYR 60 H TYR 60 5.455 5.984 -1.318 458 HA TYR 60 HA TYR 60 7.188 3.978 -2.465 459 HB2 TYR 60 2HB TYR 60 9.247 5.268 -2.132 460 HB3 TYR 60 3HB TYR 60 8.209 6.049 -3.332 461 HD1 TYR 60 HD1 TYR 60 7.015 8.156 -2.784 462 HD2 TYR 60 HD2 TYR 60 9.725 6.334 0.003 463 HE1 TYR 60 HE1 TYR 60 7.110 10.270 -1.497 464 HE2 TYR 60 HE2 TYR 60 9.827 8.445 1.291 465 HH TYR 60 HH TYR 60 9.140 10.536 1.466 466 H ALA 61 H ALA 61 8.806 3.183 -0.778 467 HA ALA 61 HA ALA 61 9.252 2.429 1.263 468 HB1 ALA 61 3HB ALA 61 8.402 5.260 2.044 469 HB2 ALA 61 1HB ALA 61 9.330 4.122 3.077 470 HB3 ALA 61 2HB ALA 61 10.049 4.741 1.552 471 H VAL 62 H VAL 62 6.755 1.518 0.406 472 HA VAL 62 HA VAL 62 4.947 1.893 2.627 473 HB VAL 62 HB VAL 62 4.892 0.020 0.205 474 HG11 VAL 62 1HG1 VAL 62 2.522 -0.368 0.811 475 HG12 VAL 62 2HG1 VAL 62 3.641 -0.935 2.096 476 HG13 VAL 62 3HG1 VAL 62 2.747 0.610 2.300 477 HG21 VAL 62 3HG2 VAL 62 4.693 2.399 -0.380 478 HG22 VAL 62 1HG2 VAL 62 3.128 1.550 -0.614 479 HG23 VAL 62 2HG2 VAL 62 3.375 2.597 0.824 480 H LYS 63 H LYS 63 4.514 0.355 4.284 481 HA LYS 63 HA LYS 63 6.391 -1.915 4.369 482 HB2 LYS 63 2HB LYS 63 5.772 0.117 6.566 483 HB3 LYS 63 3HB LYS 63 6.634 -1.405 6.830 484 HG2 LYS 63 2HG LYS 63 8.418 -0.660 5.238 485 HG3 LYS 63 3HG LYS 63 7.560 0.869 5.002 486 HD2 LYS 63 2HD LYS 63 7.743 1.328 7.473 487 HD3 LYS 63 3HD LYS 63 8.652 -0.177 7.670 488 HE2 LYS 63 2HE LYS 63 10.393 0.671 6.079 489 HE3 LYS 63 3HE LYS 63 9.486 2.178 5.893 490 HZ1 LYS 63 3HZ LYS 63 10.625 1.179 8.425 491 HZ2 LYS 63 1HZ LYS 63 11.233 2.391 7.516 492 HZ3 LYS 63 2HZ LYS 63 9.788 2.571 8.254 493 H VAL 64 H VAL 64 5.299 -3.819 4.657 494 HA VAL 64 HA VAL 64 2.745 -3.647 6.098 495 HB VAL 64 HB VAL 64 3.780 -5.761 4.135 496 HG11 VAL 64 1HG1 VAL 64 1.513 -6.735 4.324 497 HG12 VAL 64 2HG1 VAL 64 2.380 -6.754 5.896 498 HG13 VAL 64 3HG1 VAL 64 1.104 -5.528 5.589 499 HG21 VAL 64 3HG2 VAL 64 3.145 -3.655 3.039 500 HG22 VAL 64 1HG2 VAL 64 1.954 -4.949 2.677 501 HG23 VAL 64 2HG2 VAL 64 1.561 -3.679 3.884 502 H VAL 65 H VAL 65 2.375 -5.054 7.897 503 HA VAL 65 HA VAL 65 4.791 -5.517 9.299 504 HB VAL 65 HB VAL 65 1.865 -6.141 9.949 505 HG11 VAL 65 1HG1 VAL 65 2.627 -6.426 12.287 506 HG12 VAL 65 2HG1 VAL 65 3.352 -7.653 11.194 507 HG13 VAL 65 3HG1 VAL 65 4.332 -6.254 11.748 508 HG21 VAL 65 3HG2 VAL 65 2.379 -3.748 9.727 509 HG22 VAL 65 1HG2 VAL 65 2.066 -4.178 11.442 510 HG23 VAL 65 2HG2 VAL 65 3.750 -3.923 10.873 511 HA PRO 66 HA PRO 66 5.231 -9.727 7.920 512 HB2 PRO 66 2HB PRO 66 7.612 -10.247 9.213 513 HB3 PRO 66 3HB PRO 66 7.571 -9.145 7.831 514 HG2 PRO 66 2HG PRO 66 7.561 -8.483 10.797 515 HG3 PRO 66 3HG PRO 66 8.526 -7.759 9.504 516 HD2 PRO 66 2HD PRO 66 6.257 -6.553 10.432 517 HD3 PRO 66 3HD PRO 66 6.744 -6.415 8.738 518 H LEU 67 H LEU 67 5.774 -11.958 8.906 519 HA LEU 67 HA LEU 67 4.408 -12.091 11.521 520 HB2 LEU 67 2HB LEU 67 4.058 -13.856 9.048 521 HB3 LEU 67 3HB LEU 67 3.414 -14.246 10.648 522 HG LEU 67 HG LEU 67 2.665 -11.734 9.063 523 HD11 LEU 67 1HD1 LEU 67 0.538 -12.901 8.622 524 HD12 LEU 67 2HD1 LEU 67 1.932 -13.778 7.905 525 HD13 LEU 67 3HD1 LEU 67 1.178 -14.376 9.422 526 HD21 LEU 67 3HD2 LEU 67 2.450 -11.522 11.514 527 HD22 LEU 67 1HD2 LEU 67 0.838 -11.593 10.726 528 HD23 LEU 67 2HD2 LEU 67 1.492 -13.040 11.566 529 H GLU 68 H GLU 68 7.323 -12.000 11.033 530 HA GLU 68 HA GLU 68 9.203 -13.126 11.396 531 HB2 GLU 68 2HB GLU 68 7.340 -14.832 13.119 532 HB3 GLU 68 3HB GLU 68 9.107 -14.873 13.191 533 HG2 GLU 68 2HG GLU 68 9.130 -12.469 13.873 534 HG3 GLU 68 3HG GLU 68 7.362 -12.439 13.814 535 H HIS 69 H HIS 69 8.053 -13.836 8.923 536 HA HIS 69 HA HIS 69 9.130 -16.484 8.599 537 HB2 HIS 69 2HB HIS 69 6.813 -16.995 9.338 538 HB3 HIS 69 3HB HIS 69 6.165 -15.946 8.071 539 HD2 HIS 69 HD2 HIS 69 5.704 -17.226 5.683 540 HE1 HIS 69 HE1 HIS 69 7.985 -20.758 6.487 541 H HIS 70 H HIS 70 9.904 -16.778 6.487 542 HA HIS 70 HA HIS 70 8.819 -15.199 4.339 543 HB2 HIS 70 2HB HIS 70 10.874 -14.030 3.776 544 HB3 HIS 70 3HB HIS 70 10.375 -13.576 5.411 545 HD2 HIS 70 HD2 HIS 70 13.379 -15.254 3.590 546 HE1 HIS 70 HE1 HIS 70 14.186 -15.331 7.794 547 H HIS 71 H HIS 71 10.214 -15.679 2.238 548 HA HIS 71 HA HIS 71 11.400 -18.364 2.475 549 HB2 HIS 71 2HB HIS 71 9.442 -17.359 0.348 550 HB3 HIS 71 3HB HIS 71 10.350 -18.873 0.241 551 HD2 HIS 71 HD2 HIS 71 7.117 -17.483 1.866 552 HE1 HIS 71 HE1 HIS 71 7.674 -21.473 3.316 553 H HIS 72 H HIS 72 13.122 -18.816 0.960 554 HA HIS 72 HA HIS 72 14.174 -16.379 -0.316 555 HB2 HIS 72 2HB HIS 72 15.539 -18.950 0.620 556 HB3 HIS 72 3HB HIS 72 16.348 -17.664 -0.286 557 HD2 HIS 72 HD2 HIS 72 15.230 -18.469 3.355 558 HE1 HIS 72 HE1 HIS 72 16.938 -14.542 3.341 559 H HIS 73 H HIS 73 14.834 -16.429 -2.523 560 HA HIS 73 HA HIS 73 14.115 -18.887 -3.971 561 HB2 HIS 73 2HB HIS 73 13.363 -16.026 -4.750 562 HB3 HIS 73 3HB HIS 73 13.080 -17.472 -5.728 563 HD2 HIS 73 HD2 HIS 73 11.386 -15.475 -2.891 564 HE1 HIS 73 HE1 HIS 73 9.213 -19.136 -3.335 565 H HIS 74 H HIS 74 15.058 -18.878 -6.265 566 HA HIS 74 HA HIS 74 17.814 -18.213 -6.100 567 HB2 HIS 74 2HB HIS 74 16.764 -20.171 -7.344 568 HB3 HIS 74 3HB HIS 74 16.167 -19.019 -8.545 569 HD2 HIS 74 HD2 HIS 74 19.397 -20.965 -7.694 570 HE1 HIS 74 HE1 HIS 74 20.361 -18.199 -10.815 Start of MODEL 4 1 H1 MET 1 1H MET 1 5.711 13.878 6.702 2 H2 MET 1 2H MET 1 5.119 12.628 7.569 3 H3 MET 1 3H MET 1 6.614 12.536 6.921 4 HA MET 1 HA MET 1 4.137 12.759 5.398 5 HB2 MET 1 2HB MET 1 7.034 12.230 4.586 6 HB3 MET 1 3HB MET 1 5.649 12.061 3.500 7 HG2 MET 1 2HG MET 1 6.612 14.627 4.844 8 HG3 MET 1 3HG MET 1 6.761 14.205 3.133 9 HE1 MET 1 3HE MET 1 3.813 12.967 2.366 10 HE2 MET 1 1HE MET 1 3.195 14.525 1.720 11 HE3 MET 1 2HE MET 1 4.912 14.065 1.464 12 H ALA 2 H ALA 2 3.417 11.036 7.098 13 HA ALA 2 HA ALA 2 3.750 8.499 5.755 14 HB1 ALA 2 3HB ALA 2 4.508 8.868 8.694 15 HB2 ALA 2 1HB ALA 2 4.328 7.295 7.847 16 HB3 ALA 2 2HB ALA 2 5.622 8.438 7.353 17 H MET 3 H MET 3 1.904 7.197 5.962 18 HA MET 3 HA MET 3 -0.106 8.102 7.913 19 HB2 MET 3 2HB MET 3 -0.517 7.573 4.933 20 HB3 MET 3 3HB MET 3 -1.828 7.739 6.107 21 HG2 MET 3 2HG MET 3 0.243 9.901 5.500 22 HG3 MET 3 3HG MET 3 -1.369 9.816 4.776 23 HE1 MET 3 3HE MET 3 -1.420 12.432 5.732 24 HE2 MET 3 1HE MET 3 -1.331 12.817 7.484 25 HE3 MET 3 2HE MET 3 0.118 12.190 6.627 26 H ASN 4 H ASN 4 -1.730 6.427 8.442 27 HA ASN 4 HA ASN 4 -0.641 3.742 7.928 28 HB2 ASN 4 2HB ASN 4 -2.397 4.754 10.198 29 HB3 ASN 4 3HB ASN 4 -1.867 3.082 9.975 30 HD21 ASN 4 1HD2 ASN 4 -1.294 5.821 11.629 31 HD22 ASN 4 2HD2 ASN 4 0.351 5.539 12.091 32 H GLY 5 H GLY 5 -2.254 1.953 7.646 33 HA2 GLY 5 2HA GLY 5 -5.004 2.561 7.282 34 HA3 GLY 5 3HA GLY 5 -4.170 2.518 5.723 35 H THR 6 H THR 6 -5.765 0.611 5.429 36 HA THR 6 HA THR 6 -4.300 -1.791 6.266 37 HB THR 6 HB THR 6 -7.340 -1.469 6.049 38 HG1 THR 6 HG1 THR 6 -7.207 -1.977 8.352 39 HG21 THR 6 3HG2 THR 6 -5.623 -3.896 6.763 40 HG22 THR 6 1HG2 THR 6 -7.416 -3.817 6.832 41 HG23 THR 6 2HG2 THR 6 -6.571 -3.674 5.253 42 H ILE 7 H ILE 7 -3.843 -3.238 4.585 43 HA ILE 7 HA ILE 7 -4.434 -2.346 1.934 44 HB ILE 7 HB ILE 7 -3.051 -4.834 3.051 45 HG12 ILE 7 2HG1 ILE 7 -1.916 -2.415 1.575 46 HG13 ILE 7 3HG1 ILE 7 -1.971 -2.551 3.337 47 HG21 ILE 7 1HG2 ILE 7 -2.287 -5.250 0.737 48 HG22 ILE 7 2HG2 ILE 7 -4.074 -5.360 0.882 49 HG23 ILE 7 3HG2 ILE 7 -3.320 -3.900 0.157 50 HD11 ILE 7 3HD1 ILE 7 -0.505 -4.447 1.448 51 HD12 ILE 7 1HD1 ILE 7 0.239 -3.171 2.471 52 HD13 ILE 7 2HD1 ILE 7 -0.560 -4.585 3.238 53 H THR 8 H THR 8 -6.033 -3.101 0.524 54 HA THR 8 HA THR 8 -8.047 -4.720 1.850 55 HB THR 8 HB THR 8 -9.532 -3.934 0.033 56 HG1 THR 8 HG1 THR 8 -8.644 -2.382 -1.510 57 HG21 THR 8 3HG2 THR 8 -7.842 -1.694 1.249 58 HG22 THR 8 1HG2 THR 8 -9.489 -1.513 0.556 59 HG23 THR 8 2HG2 THR 8 -9.239 -2.512 2.027 60 H THR 9 H THR 9 -5.646 -4.916 -0.769 61 HA THR 9 HA THR 9 -6.747 -7.546 -1.441 62 HB THR 9 HB THR 9 -5.719 -5.444 -3.423 63 HG1 THR 9 HG1 THR 9 -7.938 -5.616 -4.217 64 HG21 THR 9 3HG2 THR 9 -6.738 -8.293 -3.868 65 HG22 THR 9 1HG2 THR 9 -6.315 -7.113 -5.154 66 HG23 THR 9 2HG2 THR 9 -5.041 -7.733 -4.050 67 H TRP 10 H TRP 10 -5.190 -9.169 -1.475 68 HA TRP 10 HA TRP 10 -2.438 -8.351 -0.995 69 HB2 TRP 10 2HB TRP 10 -3.514 -10.132 0.373 70 HB3 TRP 10 3HB TRP 10 -3.801 -11.089 -1.087 71 HD1 TRP 10 HD1 TRP 10 -0.424 -9.277 -0.716 72 HE1 TRP 10 HE1 TRP 10 1.438 -11.038 -0.372 73 HE3 TRP 10 HE3 TRP 10 -3.365 -13.448 -0.134 74 HZ2 TRP 10 HZ2 TRP 10 1.643 -13.806 0.083 75 HZ3 TRP 10 HZ3 TRP 10 -2.255 -15.642 0.261 76 HH2 TRP 10 HH2 TRP 10 0.184 -15.822 0.369 77 H PHE 11 H PHE 11 -1.088 -7.976 -2.707 78 HA PHE 11 HA PHE 11 -1.751 -9.168 -5.280 79 HB2 PHE 11 2HB PHE 11 0.250 -7.734 -5.989 80 HB3 PHE 11 3HB PHE 11 -1.170 -6.863 -5.397 81 HD1 PHE 11 HD1 PHE 11 -1.163 -5.869 -3.106 82 HD2 PHE 11 HD2 PHE 11 2.344 -7.657 -4.822 83 HE1 PHE 11 HE1 PHE 11 0.244 -4.720 -1.424 84 HE2 PHE 11 HE2 PHE 11 3.755 -6.506 -3.145 85 HZ PHE 11 HZ PHE 11 2.706 -5.041 -1.435 86 H LYS 12 H LYS 12 -1.272 -11.447 -4.671 87 HA LYS 12 HA LYS 12 1.349 -12.085 -3.703 88 HB2 LYS 12 2HB LYS 12 -0.677 -13.406 -3.146 89 HB3 LYS 12 3HB LYS 12 -0.903 -13.803 -4.855 90 HG2 LYS 12 2HG LYS 12 1.241 -15.048 -4.876 91 HG3 LYS 12 3HG LYS 12 1.538 -14.602 -3.191 92 HD2 LYS 12 2HD LYS 12 -0.558 -15.791 -2.507 93 HD3 LYS 12 3HD LYS 12 -0.855 -16.236 -4.192 94 HE2 LYS 12 2HE LYS 12 1.330 -17.468 -4.244 95 HE3 LYS 12 3HE LYS 12 1.608 -17.036 -2.552 96 HZ1 LYS 12 3HZ LYS 12 -0.653 -18.651 -3.546 97 HZ2 LYS 12 1HZ LYS 12 0.660 -19.223 -2.762 98 HZ3 LYS 12 2HZ LYS 12 -0.396 -18.252 -1.984 99 H ASP 13 H ASP 13 -0.393 -12.871 -6.841 100 HA ASP 13 HA ASP 13 2.234 -13.529 -7.955 101 HB2 ASP 13 2HB ASP 13 -0.621 -14.001 -8.940 102 HB3 ASP 13 3HB ASP 13 0.836 -14.485 -9.817 103 H LYS 14 H LYS 14 -0.223 -10.976 -8.014 104 HA LYS 14 HA LYS 14 0.326 -10.400 -10.825 105 HB2 LYS 14 2HB LYS 14 -1.732 -9.291 -8.856 106 HB3 LYS 14 3HB LYS 14 -1.625 -8.863 -10.569 107 HG2 LYS 14 2HG LYS 14 -2.216 -11.653 -9.459 108 HG3 LYS 14 3HG LYS 14 -3.405 -10.535 -10.138 109 HD2 LYS 14 2HD LYS 14 -2.225 -10.585 -12.332 110 HD3 LYS 14 3HD LYS 14 -0.997 -11.665 -11.660 111 HE2 LYS 14 2HE LYS 14 -2.796 -13.356 -11.156 112 HE3 LYS 14 3HE LYS 14 -3.988 -12.282 -11.899 113 HZ1 LYS 14 3HZ LYS 14 -1.653 -13.444 -13.278 114 HZ2 LYS 14 1HZ LYS 14 -3.201 -13.933 -13.443 115 HZ3 LYS 14 2HZ LYS 14 -2.753 -12.452 -13.964 116 H GLY 15 H GLY 15 0.846 -9.060 -7.522 117 HA2 GLY 15 2HA GLY 15 2.274 -7.424 -6.896 118 HA3 GLY 15 3HA GLY 15 2.774 -7.222 -8.581 119 H PHE 16 H PHE 16 -0.707 -7.071 -7.993 120 HA PHE 16 HA PHE 16 -0.544 -4.131 -8.163 121 HB2 PHE 16 2HB PHE 16 -2.662 -6.141 -9.050 122 HB3 PHE 16 3HB PHE 16 -2.961 -4.400 -8.961 123 HD1 PHE 16 HD1 PHE 16 0.253 -4.140 -9.789 124 HD2 PHE 16 HD2 PHE 16 -3.327 -5.793 -11.494 125 HE1 PHE 16 HE1 PHE 16 1.202 -3.859 -12.058 126 HE2 PHE 16 HE2 PHE 16 -2.375 -5.517 -13.761 127 HZ PHE 16 HZ PHE 16 -0.107 -4.548 -14.047 128 H GLY 17 H GLY 17 -0.855 -3.143 -6.191 129 HA2 GLY 17 2HA GLY 17 -2.501 -4.652 -4.246 130 HA3 GLY 17 3HA GLY 17 -1.068 -3.697 -3.843 131 H PHE 18 H PHE 18 -4.057 -3.520 -3.009 132 HA PHE 18 HA PHE 18 -4.233 -0.622 -3.535 133 HB2 PHE 18 2HB PHE 18 -6.519 -2.647 -3.348 134 HB3 PHE 18 3HB PHE 18 -6.718 -0.892 -3.430 135 HD1 PHE 18 HD1 PHE 18 -5.749 -3.926 -5.307 136 HD2 PHE 18 HD2 PHE 18 -6.364 0.322 -5.510 137 HE1 PHE 18 HE1 PHE 18 -5.732 -4.037 -7.781 138 HE2 PHE 18 HE2 PHE 18 -6.352 0.207 -7.981 139 HZ PHE 18 HZ PHE 18 -6.032 -1.974 -9.122 140 H ILE 19 H ILE 19 -4.701 0.676 -1.730 141 HA ILE 19 HA ILE 19 -5.027 -0.793 0.789 142 HB ILE 19 HB ILE 19 -2.647 -0.134 0.521 143 HG12 ILE 19 2HG1 ILE 19 -4.017 1.677 2.559 144 HG13 ILE 19 3HG1 ILE 19 -3.903 -0.077 2.753 145 HG21 ILE 19 1HG2 ILE 19 -2.024 2.259 0.469 146 HG22 ILE 19 2HG2 ILE 19 -2.959 1.779 -0.987 147 HG23 ILE 19 3HG2 ILE 19 -3.759 2.703 0.329 148 HD11 ILE 19 3HD1 ILE 19 -1.546 1.843 2.490 149 HD12 ILE 19 1HD1 ILE 19 -2.128 1.068 4.002 150 HD13 ILE 19 2HD1 ILE 19 -1.430 0.062 2.688 151 H LYS 20 H LYS 20 -6.450 0.173 2.290 152 HA LYS 20 HA LYS 20 -7.745 2.644 1.385 153 HB2 LYS 20 2HB LYS 20 -9.234 0.776 1.866 154 HB3 LYS 20 3HB LYS 20 -8.474 0.507 3.440 155 HG2 LYS 20 2HG LYS 20 -10.477 1.633 3.966 156 HG3 LYS 20 3HG LYS 20 -9.250 2.903 4.053 157 HD2 LYS 20 2HD LYS 20 -9.872 3.808 1.910 158 HD3 LYS 20 3HD LYS 20 -10.807 2.369 1.481 159 HE2 LYS 20 2HE LYS 20 -12.447 2.872 3.282 160 HE3 LYS 20 3HE LYS 20 -11.497 4.279 3.776 161 HZ1 LYS 20 3HZ LYS 20 -12.573 3.998 1.051 162 HZ2 LYS 20 1HZ LYS 20 -13.413 4.708 2.257 163 HZ3 LYS 20 2HZ LYS 20 -11.994 5.348 1.766 164 H ASP 21 H ASP 21 -7.288 4.589 2.361 165 HA ASP 21 HA ASP 21 -5.188 4.515 4.338 166 HB2 ASP 21 2HB ASP 21 -6.639 6.809 2.933 167 HB3 ASP 21 3HB ASP 21 -5.253 7.003 4.014 168 H GLU 22 H GLU 22 -5.278 5.434 6.484 169 HA GLU 22 HA GLU 22 -7.716 5.589 7.845 170 HB2 GLU 22 2HB GLU 22 -6.434 6.728 9.569 171 HB3 GLU 22 3HB GLU 22 -5.484 5.389 8.911 172 HG2 GLU 22 2HG GLU 22 -4.225 7.030 7.476 173 HG3 GLU 22 3HG GLU 22 -5.136 8.349 8.222 174 H ASN 23 H ASN 23 -6.343 7.733 5.440 175 HA ASN 23 HA ASN 23 -7.946 9.975 6.337 176 HB2 ASN 23 2HB ASN 23 -6.186 9.482 3.911 177 HB3 ASN 23 3HB ASN 23 -7.155 10.946 4.124 178 HD21 ASN 23 1HD2 ASN 23 -4.337 10.788 3.885 179 HD22 ASN 23 2HD2 ASN 23 -3.678 11.495 5.322 180 H GLY 24 H GLY 24 -8.389 7.053 4.456 181 HA2 GLY 24 2HA GLY 24 -10.573 6.363 4.041 182 HA3 GLY 24 3HA GLY 24 -11.094 8.048 3.908 183 H ASP 25 H ASP 25 -8.171 7.852 2.194 184 HA ASP 25 HA ASP 25 -9.622 7.588 -0.325 185 HB2 ASP 25 2HB ASP 25 -6.820 8.516 0.448 186 HB3 ASP 25 3HB ASP 25 -7.324 8.291 -1.232 187 H ASN 26 H ASN 26 -9.092 6.032 -1.951 188 HA ASN 26 HA ASN 26 -7.566 3.748 -0.962 189 HB2 ASN 26 2HB ASN 26 -9.310 4.157 -3.419 190 HB3 ASN 26 3HB ASN 26 -8.403 2.678 -3.078 191 HD21 ASN 26 1HD2 ASN 26 -11.331 4.114 -2.854 192 HD22 ASN 26 2HD2 ASN 26 -12.042 3.113 -1.632 193 H ARG 27 H ARG 27 -5.504 3.256 -1.676 194 HA ARG 27 HA ARG 27 -4.493 4.920 -3.887 195 HB2 ARG 27 2HB ARG 27 -3.265 4.229 -1.236 196 HB3 ARG 27 3HB ARG 27 -2.235 4.495 -2.649 197 HG2 ARG 27 2HG ARG 27 -3.221 6.744 -2.959 198 HG3 ARG 27 3HG ARG 27 -4.285 6.479 -1.572 199 HD2 ARG 27 2HD ARG 27 -2.623 6.741 -0.047 200 HD3 ARG 27 3HD ARG 27 -1.368 6.118 -1.126 201 HE ARG 27 HE ARG 27 -1.185 8.268 -2.133 202 HH11 ARG 27 1HH1 ARG 27 -3.508 8.239 0.505 203 HH12 ARG 27 2HH1 ARG 27 -3.453 9.957 0.723 204 HH21 ARG 27 1HH2 ARG 27 -1.133 10.466 -1.848 205 HH22 ARG 27 2HH2 ARG 27 -2.091 11.236 -0.627 206 H TYR 28 H TYR 28 -3.113 3.917 -5.431 207 HA TYR 28 HA TYR 28 -3.164 0.971 -5.261 208 HB2 TYR 28 2HB TYR 28 -4.578 1.629 -7.060 209 HB3 TYR 28 3HB TYR 28 -3.500 2.940 -7.555 210 HD1 TYR 28 HD1 TYR 28 -3.429 -0.815 -7.149 211 HD2 TYR 28 HD2 TYR 28 -2.157 2.595 -9.430 212 HE1 TYR 28 HE1 TYR 28 -2.356 -2.319 -8.797 213 HE2 TYR 28 HE2 TYR 28 -1.089 1.095 -11.082 214 HH TYR 28 HH TYR 28 -0.940 -2.436 -10.540 215 H PHE 29 H PHE 29 -1.230 -0.154 -5.544 216 HA PHE 29 HA PHE 29 1.136 1.334 -6.348 217 HB2 PHE 29 2HB PHE 29 2.326 0.747 -4.243 218 HB3 PHE 29 3HB PHE 29 1.009 1.899 -3.982 219 HD1 PHE 29 HD1 PHE 29 -1.177 1.080 -3.012 220 HD2 PHE 29 HD2 PHE 29 2.338 -1.384 -3.177 221 HE1 PHE 29 HE1 PHE 29 -2.140 -0.409 -1.286 222 HE2 PHE 29 HE2 PHE 29 1.370 -2.878 -1.456 223 HZ PHE 29 HZ PHE 29 -0.869 -2.395 -0.507 224 H HIS 30 H HIS 30 3.155 -0.347 -5.861 225 HA HIS 30 HA HIS 30 2.204 -2.884 -7.028 226 HB2 HIS 30 2HB HIS 30 4.642 -1.235 -7.858 227 HB3 HIS 30 3HB HIS 30 4.179 -2.807 -8.521 228 HD2 HIS 30 HD2 HIS 30 2.201 -2.732 -10.498 229 HE1 HIS 30 HE1 HIS 30 1.573 1.499 -10.376 230 H VAL 31 H VAL 31 3.753 -4.723 -6.763 231 HA VAL 31 HA VAL 31 4.721 -4.950 -4.189 232 HB VAL 31 HB VAL 31 4.204 -6.845 -5.743 233 HG11 VAL 31 1HG1 VAL 31 5.908 -7.545 -7.398 234 HG12 VAL 31 2HG1 VAL 31 5.223 -5.930 -7.786 235 HG13 VAL 31 3HG1 VAL 31 6.854 -6.059 -7.045 236 HG21 VAL 31 3HG2 VAL 31 5.540 -7.231 -3.716 237 HG22 VAL 31 1HG2 VAL 31 6.090 -8.293 -5.056 238 HG23 VAL 31 2HG2 VAL 31 7.043 -6.836 -4.616 239 H ILE 32 H ILE 32 6.186 -3.427 -7.043 240 HA ILE 32 HA ILE 32 8.865 -3.694 -6.047 241 HB ILE 32 HB ILE 32 9.457 -2.255 -7.966 242 HG12 ILE 32 2HG1 ILE 32 6.453 -2.090 -8.491 243 HG13 ILE 32 3HG1 ILE 32 7.417 -0.786 -7.785 244 HG21 ILE 32 1HG2 ILE 32 8.637 -3.724 -9.781 245 HG22 ILE 32 2HG2 ILE 32 9.153 -4.666 -8.341 246 HG23 ILE 32 3HG2 ILE 32 7.405 -4.407 -8.667 247 HD11 ILE 32 3HD1 ILE 32 7.827 -2.007 -10.552 248 HD12 ILE 32 1HD1 ILE 32 7.064 -0.424 -10.186 249 HD13 ILE 32 2HD1 ILE 32 8.805 -0.683 -9.834 250 H LYS 33 H LYS 33 6.181 -1.671 -5.256 251 HA LYS 33 HA LYS 33 7.875 0.691 -4.846 252 HB2 LYS 33 2HB LYS 33 4.842 0.313 -4.786 253 HB3 LYS 33 3HB LYS 33 5.685 1.848 -4.545 254 HG2 LYS 33 2HG LYS 33 5.887 0.178 -7.099 255 HG3 LYS 33 3HG LYS 33 4.730 1.496 -6.867 256 HD2 LYS 33 2HD LYS 33 6.689 3.044 -6.367 257 HD3 LYS 33 3HD LYS 33 7.785 1.718 -6.775 258 HE2 LYS 33 2HE LYS 33 7.469 3.202 -8.718 259 HE3 LYS 33 3HE LYS 33 6.827 1.591 -9.061 260 HZ1 LYS 33 3HZ LYS 33 5.154 3.837 -8.141 261 HZ2 LYS 33 1HZ LYS 33 5.364 3.444 -9.712 262 HZ3 LYS 33 2HZ LYS 33 4.639 2.391 -8.697 263 H VAL 34 H VAL 34 6.956 -2.057 -3.111 264 HA VAL 34 HA VAL 34 6.314 -0.535 -0.693 265 HB VAL 34 HB VAL 34 5.520 -2.734 0.190 266 HG11 VAL 34 1HG1 VAL 34 3.522 -2.928 -1.258 267 HG12 VAL 34 2HG1 VAL 34 3.944 -1.214 -0.926 268 HG13 VAL 34 3HG1 VAL 34 4.344 -1.946 -2.517 269 HG21 VAL 34 3HG2 VAL 34 7.004 -4.207 -1.101 270 HG22 VAL 34 1HG2 VAL 34 5.282 -4.650 -1.358 271 HG23 VAL 34 2HG2 VAL 34 6.172 -3.734 -2.621 272 H ALA 35 H ALA 35 7.457 -0.948 1.306 273 HA ALA 35 HA ALA 35 10.198 -1.666 0.931 274 HB1 ALA 35 3HB ALA 35 8.544 -1.084 3.437 275 HB2 ALA 35 1HB ALA 35 10.334 -1.215 3.370 276 HB3 ALA 35 2HB ALA 35 9.496 0.108 2.489 277 H ASN 36 H ASN 36 7.403 -3.173 2.756 278 HA ASN 36 HA ASN 36 8.979 -5.605 3.007 279 HB2 ASN 36 2HB ASN 36 6.212 -4.786 3.954 280 HB3 ASN 36 3HB ASN 36 6.850 -6.427 4.127 281 HD21 ASN 36 1HD2 ASN 36 9.552 -5.728 4.641 282 HD22 ASN 36 2HD2 ASN 36 9.648 -4.937 6.179 283 HA PRO 37 HA PRO 37 7.559 -7.145 -0.773 284 HB2 PRO 37 2HB PRO 37 8.231 -9.832 -0.413 285 HB3 PRO 37 3HB PRO 37 9.469 -8.586 -0.618 286 HG2 PRO 37 2HG PRO 37 8.407 -9.815 1.950 287 HG3 PRO 37 3HG PRO 37 10.083 -9.506 1.480 288 HD2 PRO 37 2HD PRO 37 8.803 -7.799 3.148 289 HD3 PRO 37 3HD PRO 37 9.923 -7.172 1.932 290 H ASP 38 H ASP 38 6.159 -8.672 -1.947 291 HA ASP 38 HA ASP 38 3.620 -8.822 -0.773 292 HB2 ASP 38 2HB ASP 38 3.072 -10.228 -2.736 293 HB3 ASP 38 3HB ASP 38 3.947 -8.758 -3.186 294 H LEU 39 H LEU 39 6.438 -10.785 -0.233 295 HA LEU 39 HA LEU 39 4.929 -13.200 0.322 296 HB2 LEU 39 2HB LEU 39 7.862 -12.420 0.700 297 HB3 LEU 39 3HB LEU 39 7.198 -14.024 1.040 298 HG LEU 39 HG LEU 39 7.220 -12.672 -1.711 299 HD11 LEU 39 1HD1 LEU 39 8.922 -14.373 -2.260 300 HD12 LEU 39 2HD1 LEU 39 9.470 -13.296 -0.931 301 HD13 LEU 39 3HD1 LEU 39 8.890 -14.955 -0.561 302 HD21 LEU 39 3HD2 LEU 39 5.300 -14.185 -1.377 303 HD22 LEU 39 1HD2 LEU 39 6.495 -14.894 -2.515 304 HD23 LEU 39 2HD2 LEU 39 6.412 -15.481 -0.820 305 H ILE 40 H ILE 40 6.216 -10.361 2.081 306 HA ILE 40 HA ILE 40 5.353 -11.670 4.565 307 HB ILE 40 HB ILE 40 7.189 -9.259 4.119 308 HG12 ILE 40 2HG1 ILE 40 7.809 -12.066 5.156 309 HG13 ILE 40 3HG1 ILE 40 8.137 -11.508 3.510 310 HG21 ILE 40 1HG2 ILE 40 7.591 -9.388 6.557 311 HG22 ILE 40 2HG2 ILE 40 5.870 -9.037 6.181 312 HG23 ILE 40 3HG2 ILE 40 6.360 -10.689 6.687 313 HD11 ILE 40 3HD1 ILE 40 9.327 -10.330 6.061 314 HD12 ILE 40 1HD1 ILE 40 10.160 -11.413 4.895 315 HD13 ILE 40 2HD1 ILE 40 9.660 -9.764 4.390 316 H LYS 41 H LYS 41 3.054 -11.204 4.220 317 HA LYS 41 HA LYS 41 2.477 -8.364 4.760 318 HB2 LYS 41 2HB LYS 41 0.893 -10.336 3.045 319 HB3 LYS 41 3HB LYS 41 0.317 -8.738 3.538 320 HG2 LYS 41 2HG LYS 41 2.832 -9.222 1.865 321 HG3 LYS 41 3HG LYS 41 1.242 -8.836 1.194 322 HD2 LYS 41 2HD LYS 41 1.218 -6.696 2.513 323 HD3 LYS 41 3HD LYS 41 2.823 -7.081 3.149 324 HE2 LYS 41 2HE LYS 41 3.691 -7.169 0.767 325 HE3 LYS 41 3HE LYS 41 2.096 -6.651 0.204 326 HZ1 LYS 41 3HZ LYS 41 4.173 -5.080 1.230 327 HZ2 LYS 41 1HZ LYS 41 2.756 -4.596 0.579 328 HZ3 LYS 41 2HZ LYS 41 2.862 -4.884 2.183 329 H LYS 42 H LYS 42 0.683 -7.967 6.222 330 HA LYS 42 HA LYS 42 -0.727 -10.224 7.316 331 HB2 LYS 42 2HB LYS 42 1.469 -10.225 8.559 332 HB3 LYS 42 3HB LYS 42 1.121 -8.580 9.107 333 HG2 LYS 42 2HG LYS 42 -0.904 -9.381 10.295 334 HG3 LYS 42 3HG LYS 42 -0.617 -11.025 9.707 335 HD2 LYS 42 2HD LYS 42 1.644 -10.988 10.863 336 HD3 LYS 42 3HD LYS 42 1.236 -9.402 11.531 337 HE2 LYS 42 2HE LYS 42 -0.789 -10.396 12.632 338 HE3 LYS 42 3HE LYS 42 -0.358 -11.982 11.978 339 HZ1 LYS 42 3HZ LYS 42 1.305 -10.398 13.830 340 HZ2 LYS 42 1HZ LYS 42 0.420 -11.711 14.226 341 HZ3 LYS 42 2HZ LYS 42 1.703 -11.862 13.227 342 H ASP 43 H ASP 43 -2.618 -9.518 8.590 343 HA ASP 43 HA ASP 43 -3.486 -7.133 7.193 344 HB2 ASP 43 2HB ASP 43 -4.897 -9.350 8.741 345 HB3 ASP 43 3HB ASP 43 -5.750 -7.943 8.094 346 H ALA 44 H ALA 44 -2.262 -7.845 10.349 347 HA ALA 44 HA ALA 44 -4.270 -6.313 11.765 348 HB1 ALA 44 3HB ALA 44 -1.697 -7.705 12.663 349 HB2 ALA 44 1HB ALA 44 -2.925 -6.971 13.749 350 HB3 ALA 44 2HB ALA 44 -3.357 -8.387 12.732 351 H ALA 45 H ALA 45 -1.790 -5.336 9.800 352 HA ALA 45 HA ALA 45 -1.582 -2.782 10.988 353 HB1 ALA 45 3HB ALA 45 0.840 -4.629 11.262 354 HB2 ALA 45 1HB ALA 45 0.833 -2.857 11.558 355 HB3 ALA 45 2HB ALA 45 -0.136 -3.946 12.606 356 H VAL 46 H VAL 46 -1.425 -1.471 9.196 357 HA VAL 46 HA VAL 46 0.855 -2.100 7.486 358 HB VAL 46 HB VAL 46 -1.885 -1.172 6.482 359 HG11 VAL 46 1HG1 VAL 46 -0.847 -1.229 4.235 360 HG12 VAL 46 2HG1 VAL 46 -0.053 -0.028 5.309 361 HG13 VAL 46 3HG1 VAL 46 0.742 -1.605 4.985 362 HG21 VAL 46 3HG2 VAL 46 -1.791 -3.585 6.946 363 HG22 VAL 46 1HG2 VAL 46 -1.845 -3.277 5.177 364 HG23 VAL 46 2HG2 VAL 46 -0.295 -3.728 5.962 365 H THR 47 H THR 47 2.178 -0.296 7.140 366 HA THR 47 HA THR 47 0.891 2.317 7.371 367 HB THR 47 HB THR 47 2.081 1.802 9.538 368 HG1 THR 47 HG1 THR 47 2.055 3.967 9.225 369 HG21 THR 47 3HG2 THR 47 4.553 1.799 7.737 370 HG22 THR 47 1HG2 THR 47 4.559 1.773 9.532 371 HG23 THR 47 2HG2 THR 47 3.881 0.385 8.617 372 H PHE 48 H PHE 48 2.031 4.032 6.128 373 HA PHE 48 HA PHE 48 3.932 3.056 4.160 374 HB2 PHE 48 2HB PHE 48 2.448 3.511 2.264 375 HB3 PHE 48 3HB PHE 48 1.775 2.235 3.287 376 HD1 PHE 48 HD1 PHE 48 -0.199 2.676 4.717 377 HD2 PHE 48 HD2 PHE 48 1.349 5.656 2.038 378 HE1 PHE 48 HE1 PHE 48 -2.316 3.945 4.905 379 HE2 PHE 48 HE2 PHE 48 -0.767 6.926 2.230 380 HZ PHE 48 HZ PHE 48 -2.604 6.072 3.660 381 H GLU 49 H GLU 49 4.557 4.882 2.601 382 HA GLU 49 HA GLU 49 4.028 7.510 3.804 383 HB2 GLU 49 2HB GLU 49 6.045 6.542 1.724 384 HB3 GLU 49 3HB GLU 49 5.830 8.237 2.181 385 HG2 GLU 49 2HG GLU 49 6.470 7.704 4.521 386 HG3 GLU 49 3HG GLU 49 6.642 5.996 4.098 387 HA PRO 50 HA PRO 50 0.989 8.052 0.645 388 HB2 PRO 50 2HB PRO 50 0.389 10.705 1.222 389 HB3 PRO 50 3HB PRO 50 -0.132 9.396 2.291 390 HG2 PRO 50 2HG PRO 50 2.292 11.212 2.540 391 HG3 PRO 50 3HG PRO 50 1.129 10.738 3.786 392 HD2 PRO 50 2HD PRO 50 3.545 9.504 3.601 393 HD3 PRO 50 3HD PRO 50 2.104 8.594 4.074 394 H THR 51 H THR 51 0.861 8.595 -1.456 395 HA THR 51 HA THR 51 2.582 10.755 -2.365 396 HB THR 51 HB THR 51 3.528 9.401 -4.187 397 HG1 THR 51 HG1 THR 51 1.875 7.359 -2.975 398 HG21 THR 51 3HG2 THR 51 3.898 8.069 -1.460 399 HG22 THR 51 1HG2 THR 51 5.010 7.923 -2.863 400 HG23 THR 51 2HG2 THR 51 4.778 9.514 -2.063 401 H THR 52 H THR 52 2.155 11.019 -4.930 402 HA THR 52 HA THR 52 -0.581 10.273 -5.574 403 HB THR 52 HB THR 52 -0.833 12.440 -4.442 404 HG1 THR 52 HG1 THR 52 -1.760 13.617 -6.265 405 HG21 THR 52 3HG2 THR 52 1.189 13.473 -6.487 406 HG22 THR 52 1HG2 THR 52 0.261 14.480 -5.325 407 HG23 THR 52 2HG2 THR 52 1.461 13.287 -4.722 408 H ASN 53 H ASN 53 -0.846 9.907 -7.802 409 HA ASN 53 HA ASN 53 1.273 11.003 -9.531 410 HB2 ASN 53 2HB ASN 53 -0.320 8.443 -9.933 411 HB3 ASN 53 3HB ASN 53 0.909 9.098 -11.023 412 HD21 ASN 53 1HD2 ASN 53 0.341 6.871 -8.710 413 HD22 ASN 53 2HD2 ASN 53 1.969 6.571 -8.200 414 H ASN 54 H ASN 54 0.508 11.431 -11.839 415 HA ASN 54 HA ASN 54 -1.925 12.864 -11.843 416 HB2 ASN 54 2HB ASN 54 -0.027 11.939 -14.023 417 HB3 ASN 54 3HB ASN 54 -1.503 12.848 -14.372 418 HD21 ASN 54 1HD2 ASN 54 1.022 13.743 -15.026 419 HD22 ASN 54 2HD2 ASN 54 1.315 15.208 -14.148 420 H LYS 55 H LYS 55 -1.146 9.456 -12.342 421 HA LYS 55 HA LYS 55 -3.655 9.018 -13.780 422 HB2 LYS 55 2HB LYS 55 -1.339 7.180 -13.009 423 HB3 LYS 55 3HB LYS 55 -2.792 6.649 -13.866 424 HG2 LYS 55 2HG LYS 55 -2.251 8.211 -15.742 425 HG3 LYS 55 3HG LYS 55 -0.793 8.728 -14.886 426 HD2 LYS 55 2HD LYS 55 0.046 6.359 -14.909 427 HD3 LYS 55 3HD LYS 55 -1.402 5.864 -15.795 428 HE2 LYS 55 2HE LYS 55 -0.798 7.461 -17.641 429 HE3 LYS 55 3HE LYS 55 0.668 7.908 -16.760 430 HZ1 LYS 55 3HZ LYS 55 0.028 5.197 -17.732 431 HZ2 LYS 55 1HZ LYS 55 1.104 6.225 -18.405 432 HZ3 LYS 55 2HZ LYS 55 1.382 5.609 -16.918 433 H GLY 56 H GLY 56 -2.631 9.332 -10.536 434 HA2 GLY 56 2HA GLY 56 -4.888 8.980 -9.282 435 HA3 GLY 56 3HA GLY 56 -4.507 7.281 -9.588 436 H LEU 57 H LEU 57 -4.747 8.156 -6.935 437 HA LEU 57 HA LEU 57 -2.208 8.999 -5.903 438 HB2 LEU 57 2HB LEU 57 -4.699 7.861 -4.541 439 HB3 LEU 57 3HB LEU 57 -3.325 8.603 -3.710 440 HG LEU 57 HG LEU 57 -5.156 10.048 -5.697 441 HD11 LEU 57 1HD1 LEU 57 -6.020 11.205 -3.696 442 HD12 LEU 57 2HD1 LEU 57 -6.320 9.436 -3.615 443 HD13 LEU 57 3HD1 LEU 57 -4.994 10.166 -2.650 444 HD21 LEU 57 3HD2 LEU 57 -2.849 10.927 -5.643 445 HD22 LEU 57 1HD2 LEU 57 -3.996 12.072 -4.870 446 HD23 LEU 57 2HD2 LEU 57 -2.930 11.045 -3.853 447 H SER 58 H SER 58 -0.613 7.778 -4.838 448 HA SER 58 HA SER 58 -1.028 4.856 -4.876 449 HB2 SER 58 2HB SER 58 1.406 6.451 -5.797 450 HB3 SER 58 3HB SER 58 1.405 4.704 -5.526 451 HG SER 58 HG SER 58 -0.175 4.460 -7.156 452 H ALA 59 H ALA 59 0.535 3.688 -3.388 453 HA ALA 59 HA ALA 59 1.415 5.443 -1.189 454 HB1 ALA 59 3HB ALA 59 -0.003 2.739 -0.997 455 HB2 ALA 59 1HB ALA 59 0.692 3.658 0.381 456 HB3 ALA 59 2HB ALA 59 -0.690 4.335 -0.545 457 H TYR 60 H TYR 60 3.553 5.190 -0.683 458 HA TYR 60 HA TYR 60 4.864 2.836 -1.890 459 HB2 TYR 60 2HB TYR 60 5.820 5.710 -1.479 460 HB3 TYR 60 3HB TYR 60 6.885 4.381 -1.956 461 HD1 TYR 60 HD1 TYR 60 4.216 3.241 -3.590 462 HD2 TYR 60 HD2 TYR 60 6.670 6.763 -3.648 463 HE1 TYR 60 HE1 TYR 60 3.619 3.612 -5.963 464 HE2 TYR 60 HE2 TYR 60 6.076 7.142 -6.021 465 HH TYR 60 HH TYR 60 4.940 6.432 -7.777 466 H ALA 61 H ALA 61 6.967 2.194 -0.769 467 HA ALA 61 HA ALA 61 8.039 1.479 1.040 468 HB1 ALA 61 3HB ALA 61 7.222 4.226 2.107 469 HB2 ALA 61 1HB ALA 61 8.493 3.166 2.805 470 HB3 ALA 61 2HB ALA 61 8.698 3.849 1.156 471 H VAL 62 H VAL 62 5.706 0.164 0.984 472 HA VAL 62 HA VAL 62 4.126 0.768 3.314 473 HB VAL 62 HB VAL 62 4.001 -1.490 1.249 474 HG11 VAL 62 1HG1 VAL 62 1.762 -1.968 2.186 475 HG12 VAL 62 2HG1 VAL 62 3.062 -2.222 3.398 476 HG13 VAL 62 3HG1 VAL 62 2.043 -0.745 3.471 477 HG21 VAL 62 3HG2 VAL 62 3.508 0.735 0.331 478 HG22 VAL 62 1HG2 VAL 62 2.018 -0.264 0.420 479 HG23 VAL 62 2HG2 VAL 62 2.310 1.023 1.638 480 H LYS 63 H LYS 63 4.089 -0.392 5.281 481 HA LYS 63 HA LYS 63 6.120 -2.504 5.531 482 HB2 LYS 63 2HB LYS 63 5.847 0.027 7.222 483 HB3 LYS 63 3HB LYS 63 6.825 -1.374 7.682 484 HG2 LYS 63 2HG LYS 63 8.205 -1.073 5.611 485 HG3 LYS 63 3HG LYS 63 7.242 0.348 5.187 486 HD2 LYS 63 2HD LYS 63 7.910 1.432 7.352 487 HD3 LYS 63 3HD LYS 63 8.894 0.017 7.748 488 HE2 LYS 63 2HE LYS 63 10.267 0.386 5.698 489 HE3 LYS 63 3HE LYS 63 9.274 1.788 5.278 490 HZ1 LYS 63 3HZ LYS 63 10.909 1.533 7.720 491 HZ2 LYS 63 1HZ LYS 63 11.281 2.433 6.410 492 HZ3 LYS 63 2HZ LYS 63 9.993 2.827 7.332 493 H VAL 64 H VAL 64 5.519 -4.188 6.891 494 HA VAL 64 HA VAL 64 2.950 -3.864 8.242 495 HB VAL 64 HB VAL 64 4.676 -6.327 7.671 496 HG11 VAL 64 1HG1 VAL 64 2.735 -7.631 8.485 497 HG12 VAL 64 2HG1 VAL 64 3.428 -6.590 9.773 498 HG13 VAL 64 3HG1 VAL 64 1.909 -6.104 8.947 499 HG21 VAL 64 3HG2 VAL 64 3.612 -5.376 5.669 500 HG22 VAL 64 1HG2 VAL 64 2.840 -6.933 6.124 501 HG23 VAL 64 2HG2 VAL 64 2.019 -5.380 6.499 502 H VAL 65 H VAL 65 2.802 -3.698 10.481 503 HA VAL 65 HA VAL 65 5.395 -3.577 11.820 504 HB VAL 65 HB VAL 65 2.657 -2.429 12.575 505 HG11 VAL 65 1HG1 VAL 65 3.898 -1.194 14.327 506 HG12 VAL 65 2HG1 VAL 65 4.000 -2.972 14.563 507 HG13 VAL 65 3HG1 VAL 65 5.398 -2.075 13.879 508 HG21 VAL 65 3HG2 VAL 65 3.662 -1.326 10.624 509 HG22 VAL 65 1HG2 VAL 65 3.702 -0.247 12.059 510 HG23 VAL 65 2HG2 VAL 65 5.195 -1.092 11.529 511 HA PRO 66 HA PRO 66 4.042 -7.230 14.091 512 HB2 PRO 66 2HB PRO 66 6.468 -7.677 15.337 513 HB3 PRO 66 3HB PRO 66 6.296 -8.029 13.612 514 HG2 PRO 66 2HG PRO 66 7.498 -5.587 14.952 515 HG3 PRO 66 3HG PRO 66 8.120 -6.525 13.588 516 HD2 PRO 66 2HD PRO 66 6.754 -4.163 13.246 517 HD3 PRO 66 3HD PRO 66 6.719 -5.455 12.039 518 H LEU 67 H LEU 67 3.747 -7.869 16.327 519 HA LEU 67 HA LEU 67 3.041 -5.663 17.954 520 HB2 LEU 67 2HB LEU 67 1.886 -7.828 18.040 521 HB3 LEU 67 3HB LEU 67 3.378 -8.648 18.520 522 HG LEU 67 HG LEU 67 3.387 -7.327 20.665 523 HD11 LEU 67 1HD1 LEU 67 1.341 -6.101 21.296 524 HD12 LEU 67 2HD1 LEU 67 2.130 -5.368 19.859 525 HD13 LEU 67 3HD1 LEU 67 0.662 -6.383 19.658 526 HD21 LEU 67 3HD2 LEU 67 2.414 -9.593 20.534 527 HD22 LEU 67 1HD2 LEU 67 1.500 -8.561 21.685 528 HD23 LEU 67 2HD2 LEU 67 0.833 -8.892 20.050 529 H GLU 68 H GLU 68 5.607 -8.233 18.485 530 HA GLU 68 HA GLU 68 6.985 -6.308 20.216 531 HB2 GLU 68 2HB GLU 68 7.412 -9.285 19.666 532 HB3 GLU 68 3HB GLU 68 8.413 -8.312 20.751 533 HG2 GLU 68 2HG GLU 68 6.406 -7.844 22.169 534 HG3 GLU 68 3HG GLU 68 5.417 -8.835 21.089 535 H HIS 69 H HIS 69 9.312 -5.893 19.924 536 HA HIS 69 HA HIS 69 9.985 -5.692 17.121 537 HB2 HIS 69 2HB HIS 69 11.882 -4.392 17.913 538 HB3 HIS 69 3HB HIS 69 10.408 -3.835 18.716 539 HD2 HIS 69 HD2 HIS 69 10.381 -4.126 21.506 540 HE1 HIS 69 HE1 HIS 69 14.259 -5.911 21.819 541 H HIS 70 H HIS 70 12.484 -6.183 16.612 542 HA HIS 70 HA HIS 70 12.830 -8.977 16.922 543 HB2 HIS 70 2HB HIS 70 13.616 -7.517 14.990 544 HB3 HIS 70 3HB HIS 70 14.867 -6.868 16.058 545 HD2 HIS 70 HD2 HIS 70 14.329 -9.842 13.700 546 HE1 HIS 70 HE1 HIS 70 17.756 -10.775 16.089 547 H HIS 71 H HIS 71 13.695 -10.095 18.628 548 HA HIS 71 HA HIS 71 15.124 -8.530 20.651 549 HB2 HIS 71 2HB HIS 71 13.889 -11.328 20.671 550 HB3 HIS 71 3HB HIS 71 14.786 -10.627 22.025 551 HD2 HIS 71 HD2 HIS 71 11.232 -10.517 20.463 552 HE1 HIS 71 HE1 HIS 71 11.331 -7.678 23.665 553 H HIS 72 H HIS 72 17.234 -9.108 21.399 554 HA HIS 72 HA HIS 72 18.647 -10.910 19.538 555 HB2 HIS 72 2HB HIS 72 19.640 -8.411 20.999 556 HB3 HIS 72 3HB HIS 72 20.647 -9.480 20.014 557 HD2 HIS 72 HD2 HIS 72 18.071 -6.580 19.562 558 HE1 HIS 72 HE1 HIS 72 19.363 -7.826 15.677 559 H HIS 73 H HIS 73 20.253 -12.334 20.421 560 HA HIS 73 HA HIS 73 20.309 -12.452 23.358 561 HB2 HIS 73 2HB HIS 73 19.838 -14.802 21.455 562 HB3 HIS 73 3HB HIS 73 20.103 -14.932 23.199 563 HD2 HIS 73 HD2 HIS 73 17.223 -14.231 20.696 564 HE1 HIS 73 HE1 HIS 73 15.669 -13.667 24.645 565 H HIS 74 H HIS 74 22.273 -13.313 24.249 566 HA HIS 74 HA HIS 74 24.385 -13.828 22.268 567 HB2 HIS 74 2HB HIS 74 24.595 -11.978 24.695 568 HB3 HIS 74 3HB HIS 74 25.926 -12.429 23.621 569 HD2 HIS 74 HD2 HIS 74 22.910 -9.951 23.733 570 HE1 HIS 74 HE1 HIS 74 24.965 -9.377 20.021 Start of MODEL 5 1 H1 MET 1 1H MET 1 4.485 13.803 7.509 2 H2 MET 1 2H MET 1 4.964 12.425 8.240 3 H3 MET 1 3H MET 1 6.076 13.479 7.677 4 HA MET 1 HA MET 1 4.330 12.782 5.633 5 HB2 MET 1 2HB MET 1 7.317 12.324 6.090 6 HB3 MET 1 3HB MET 1 6.482 12.080 4.551 7 HG2 MET 1 2HG MET 1 6.767 14.726 6.050 8 HG3 MET 1 3HG MET 1 7.660 14.240 4.603 9 HE1 MET 1 3HE MET 1 5.639 12.883 2.690 10 HE2 MET 1 1HE MET 1 4.972 14.285 1.788 11 HE3 MET 1 2HE MET 1 6.721 14.226 2.190 12 H ALA 2 H ALA 2 3.192 11.157 7.414 13 HA ALA 2 HA ALA 2 3.938 8.546 6.384 14 HB1 ALA 2 3HB ALA 2 3.797 9.177 9.373 15 HB2 ALA 2 1HB ALA 2 3.915 7.536 8.653 16 HB3 ALA 2 2HB ALA 2 5.265 8.704 8.453 17 H MET 3 H MET 3 2.151 7.158 6.179 18 HA MET 3 HA MET 3 -0.377 8.166 7.318 19 HB2 MET 3 2HB MET 3 0.122 7.131 4.487 20 HB3 MET 3 3HB MET 3 -1.468 7.474 5.180 21 HG2 MET 3 2HG MET 3 0.735 9.568 4.890 22 HG3 MET 3 3HG MET 3 -0.507 9.275 3.665 23 HE1 MET 3 3HE MET 3 -3.338 8.916 5.293 24 HE2 MET 3 1HE MET 3 -3.733 10.655 5.081 25 HE3 MET 3 2HE MET 3 -2.858 9.769 3.787 26 H ASN 4 H ASN 4 -1.986 6.501 7.750 27 HA ASN 4 HA ASN 4 -0.905 3.768 7.538 28 HB2 ASN 4 2HB ASN 4 -2.750 4.926 9.663 29 HB3 ASN 4 3HB ASN 4 -2.294 3.223 9.517 30 HD21 ASN 4 1HD2 ASN 4 0.058 2.763 9.561 31 HD22 ASN 4 2HD2 ASN 4 1.079 3.724 10.578 32 H GLY 5 H GLY 5 -2.449 2.069 6.985 33 HA2 GLY 5 2HA GLY 5 -5.169 2.850 6.381 34 HA3 GLY 5 3HA GLY 5 -4.160 2.557 4.958 35 H THR 6 H THR 6 -6.133 0.835 4.921 36 HA THR 6 HA THR 6 -4.997 -1.600 6.115 37 HB THR 6 HB THR 6 -7.915 -0.953 5.438 38 HG1 THR 6 HG1 THR 6 -8.137 -1.204 7.778 39 HG21 THR 6 3HG2 THR 6 -6.651 -3.475 6.616 40 HG22 THR 6 1HG2 THR 6 -8.410 -3.168 6.430 41 HG23 THR 6 2HG2 THR 6 -7.365 -3.314 4.977 42 H ILE 7 H ILE 7 -4.635 -3.372 4.718 43 HA ILE 7 HA ILE 7 -4.586 -2.675 1.935 44 HB ILE 7 HB ILE 7 -3.814 -5.257 3.392 45 HG12 ILE 7 2HG1 ILE 7 -2.493 -3.343 4.157 46 HG13 ILE 7 3HG1 ILE 7 -1.503 -4.435 3.180 47 HG21 ILE 7 1HG2 ILE 7 -2.527 -5.760 1.341 48 HG22 ILE 7 2HG2 ILE 7 -4.288 -5.634 1.011 49 HG23 ILE 7 3HG2 ILE 7 -3.192 -4.283 0.566 50 HD11 ILE 7 3HD1 ILE 7 -2.755 -1.824 2.220 51 HD12 ILE 7 1HD1 ILE 7 -1.030 -2.090 2.640 52 HD13 ILE 7 2HD1 ILE 7 -1.750 -2.933 1.227 53 H THR 8 H THR 8 -6.096 -3.248 0.387 54 HA THR 8 HA THR 8 -8.421 -4.654 1.351 55 HB THR 8 HB THR 8 -7.779 -3.349 -1.346 56 HG1 THR 8 HG1 THR 8 -9.253 -1.708 -0.495 57 HG21 THR 8 3HG2 THR 8 -10.417 -4.408 -0.220 58 HG22 THR 8 1HG2 THR 8 -10.216 -3.503 -1.758 59 HG23 THR 8 2HG2 THR 8 -9.474 -5.127 -1.569 60 H THR 9 H THR 9 -5.726 -5.155 -1.025 61 HA THR 9 HA THR 9 -6.729 -7.881 -1.386 62 HB THR 9 HB THR 9 -5.816 -5.984 -3.615 63 HG1 THR 9 HG1 THR 9 -8.025 -6.366 -4.359 64 HG21 THR 9 3HG2 THR 9 -6.683 -8.916 -3.709 65 HG22 THR 9 1HG2 THR 9 -6.330 -7.876 -5.130 66 HG23 THR 9 2HG2 THR 9 -5.020 -8.293 -3.975 67 H TRP 10 H TRP 10 -5.100 -9.441 -1.311 68 HA TRP 10 HA TRP 10 -2.392 -8.500 -0.888 69 HB2 TRP 10 2HB TRP 10 -3.273 -10.288 0.522 70 HB3 TRP 10 3HB TRP 10 -3.718 -11.253 -0.892 71 HD1 TRP 10 HD1 TRP 10 -0.274 -9.476 -0.474 72 HE1 TRP 10 HE1 TRP 10 1.571 -11.286 -0.437 73 HE3 TRP 10 HE3 TRP 10 -3.256 -13.660 -0.492 74 HZ2 TRP 10 HZ2 TRP 10 1.749 -14.093 -0.421 75 HZ3 TRP 10 HZ3 TRP 10 -2.167 -15.898 -0.462 76 HH2 TRP 10 HH2 TRP 10 0.271 -16.116 -0.423 77 H PHE 11 H PHE 11 -0.823 -8.363 -2.448 78 HA PHE 11 HA PHE 11 -1.488 -9.350 -5.105 79 HB2 PHE 11 2HB PHE 11 0.711 -8.152 -5.647 80 HB3 PHE 11 3HB PHE 11 -0.622 -7.134 -5.084 81 HD1 PHE 11 HD1 PHE 11 -0.597 -6.170 -2.807 82 HD2 PHE 11 HD2 PHE 11 2.708 -8.459 -4.318 83 HE1 PHE 11 HE1 PHE 11 0.844 -5.275 -1.004 84 HE2 PHE 11 HE2 PHE 11 4.152 -7.569 -2.513 85 HZ PHE 11 HZ PHE 11 3.223 -5.975 -0.853 86 H LYS 12 H LYS 12 -1.331 -11.695 -4.577 87 HA LYS 12 HA LYS 12 1.125 -12.737 -3.571 88 HB2 LYS 12 2HB LYS 12 -1.055 -13.859 -3.267 89 HB3 LYS 12 3HB LYS 12 -1.235 -14.033 -5.017 90 HG2 LYS 12 2HG LYS 12 0.788 -15.500 -5.075 91 HG3 LYS 12 3HG LYS 12 0.954 -15.334 -3.322 92 HD2 LYS 12 2HD LYS 12 -1.330 -16.326 -3.018 93 HD3 LYS 12 3HD LYS 12 -1.481 -16.505 -4.771 94 HE2 LYS 12 2HE LYS 12 0.546 -17.980 -4.787 95 HE3 LYS 12 3HE LYS 12 0.676 -17.812 -3.032 96 HZ1 LYS 12 3HZ LYS 12 -1.620 -18.990 -4.461 97 HZ2 LYS 12 1HZ LYS 12 -0.475 -19.819 -3.645 98 HZ3 LYS 12 2HZ LYS 12 -1.500 -18.834 -2.841 99 H ASP 13 H ASP 13 -0.459 -13.017 -6.875 100 HA ASP 13 HA ASP 13 2.160 -13.894 -7.863 101 HB2 ASP 13 2HB ASP 13 -0.659 -14.048 -9.038 102 HB3 ASP 13 3HB ASP 13 0.803 -14.623 -9.851 103 H LYS 14 H LYS 14 -0.091 -11.142 -7.961 104 HA LYS 14 HA LYS 14 0.686 -10.516 -10.703 105 HB2 LYS 14 2HB LYS 14 -1.404 -9.310 -8.825 106 HB3 LYS 14 3HB LYS 14 -1.158 -8.845 -10.514 107 HG2 LYS 14 2HG LYS 14 -2.009 -11.621 -9.545 108 HG3 LYS 14 3HG LYS 14 -3.086 -10.392 -10.221 109 HD2 LYS 14 2HD LYS 14 -1.768 -10.423 -12.357 110 HD3 LYS 14 3HD LYS 14 -0.708 -11.665 -11.680 111 HE2 LYS 14 2HE LYS 14 -2.697 -13.175 -11.378 112 HE3 LYS 14 3HE LYS 14 -3.731 -11.937 -12.103 113 HZ1 LYS 14 3HZ LYS 14 -1.463 -13.260 -13.450 114 HZ2 LYS 14 1HZ LYS 14 -3.044 -13.570 -13.714 115 HZ3 LYS 14 2HZ LYS 14 -2.418 -12.118 -14.119 116 H GLY 15 H GLY 15 1.260 -9.437 -7.350 117 HA2 GLY 15 2HA GLY 15 2.744 -7.912 -6.599 118 HA3 GLY 15 3HA GLY 15 3.254 -7.600 -8.263 119 H PHE 16 H PHE 16 -0.218 -7.346 -7.656 120 HA PHE 16 HA PHE 16 0.087 -4.408 -7.582 121 HB2 PHE 16 2HB PHE 16 -2.135 -6.127 -8.793 122 HB3 PHE 16 3HB PHE 16 -2.127 -4.360 -8.728 123 HD1 PHE 16 HD1 PHE 16 0.966 -4.163 -9.290 124 HD2 PHE 16 HD2 PHE 16 -2.279 -6.224 -11.207 125 HE1 PHE 16 HE1 PHE 16 2.187 -4.087 -11.443 126 HE2 PHE 16 HE2 PHE 16 -1.056 -6.152 -13.358 127 HZ PHE 16 HZ PHE 16 1.179 -5.082 -13.480 128 H GLY 17 H GLY 17 -0.832 -3.328 -5.856 129 HA2 GLY 17 2HA GLY 17 -2.659 -4.924 -4.162 130 HA3 GLY 17 3HA GLY 17 -1.269 -4.060 -3.492 131 H PHE 18 H PHE 18 -4.176 -3.664 -2.878 132 HA PHE 18 HA PHE 18 -4.225 -0.793 -3.549 133 HB2 PHE 18 2HB PHE 18 -6.595 -2.708 -3.294 134 HB3 PHE 18 3HB PHE 18 -6.713 -0.954 -3.493 135 HD1 PHE 18 HD1 PHE 18 -5.766 -4.132 -5.150 136 HD2 PHE 18 HD2 PHE 18 -6.345 0.095 -5.638 137 HE1 PHE 18 HE1 PHE 18 -5.701 -4.406 -7.610 138 HE2 PHE 18 HE2 PHE 18 -6.288 -0.179 -8.096 139 HZ PHE 18 HZ PHE 18 -5.960 -2.431 -9.088 140 H ILE 19 H ILE 19 -4.834 0.620 -1.840 141 HA ILE 19 HA ILE 19 -5.271 -0.695 0.741 142 HB ILE 19 HB ILE 19 -2.873 -0.139 0.617 143 HG12 ILE 19 2HG1 ILE 19 -4.299 1.926 2.354 144 HG13 ILE 19 3HG1 ILE 19 -4.254 0.200 2.739 145 HG21 ILE 19 1HG2 ILE 19 -2.129 2.206 0.362 146 HG22 ILE 19 2HG2 ILE 19 -2.988 1.614 -1.100 147 HG23 ILE 19 3HG2 ILE 19 -3.826 2.706 0.053 148 HD11 ILE 19 3HD1 ILE 19 -1.826 2.023 2.435 149 HD12 ILE 19 1HD1 ILE 19 -2.530 1.428 3.977 150 HD13 ILE 19 2HD1 ILE 19 -1.780 0.271 2.826 151 H LYS 20 H LYS 20 -6.803 0.348 2.053 152 HA LYS 20 HA LYS 20 -7.836 2.908 1.040 153 HB2 LYS 20 2HB LYS 20 -9.425 1.006 1.360 154 HB3 LYS 20 3HB LYS 20 -8.973 0.925 3.068 155 HG2 LYS 20 2HG LYS 20 -9.831 3.251 3.399 156 HG3 LYS 20 3HG LYS 20 -10.295 3.319 1.694 157 HD2 LYS 20 2HD LYS 20 -11.806 1.346 2.033 158 HD3 LYS 20 3HD LYS 20 -11.349 1.295 3.741 159 HE2 LYS 20 2HE LYS 20 -12.244 3.602 4.060 160 HE3 LYS 20 3HE LYS 20 -12.674 3.681 2.347 161 HZ1 LYS 20 3HZ LYS 20 -13.772 1.750 4.288 162 HZ2 LYS 20 1HZ LYS 20 -14.547 3.061 3.701 163 HZ3 LYS 20 2HZ LYS 20 -14.169 1.823 2.706 164 H ASP 21 H ASP 21 -7.428 4.806 2.150 165 HA ASP 21 HA ASP 21 -5.437 4.524 4.222 166 HB2 ASP 21 2HB ASP 21 -6.652 6.997 2.897 167 HB3 ASP 21 3HB ASP 21 -5.234 6.979 3.954 168 H GLU 22 H GLU 22 -5.541 5.569 6.344 169 HA GLU 22 HA GLU 22 -8.018 5.560 7.648 170 HB2 GLU 22 2HB GLU 22 -6.826 6.645 9.460 171 HB3 GLU 22 3HB GLU 22 -5.796 5.394 8.752 172 HG2 GLU 22 2HG GLU 22 -4.574 7.164 7.456 173 HG3 GLU 22 3HG GLU 22 -5.579 8.399 8.225 174 H ASN 23 H ASN 23 -6.660 7.866 5.387 175 HA ASN 23 HA ASN 23 -8.310 10.032 6.361 176 HB2 ASN 23 2HB ASN 23 -6.025 10.238 5.201 177 HB3 ASN 23 3HB ASN 23 -6.871 9.844 3.698 178 HD21 ASN 23 1HD2 ASN 23 -7.388 11.523 2.550 179 HD22 ASN 23 2HD2 ASN 23 -7.907 13.067 3.140 180 H GLY 24 H GLY 24 -8.744 7.176 4.401 181 HA2 GLY 24 2HA GLY 24 -10.896 6.505 3.832 182 HA3 GLY 24 3HA GLY 24 -11.416 8.193 3.753 183 H ASP 25 H ASP 25 -8.396 8.039 2.186 184 HA ASP 25 HA ASP 25 -9.711 7.986 -0.414 185 HB2 ASP 25 2HB ASP 25 -6.853 8.609 0.475 186 HB3 ASP 25 3HB ASP 25 -7.420 8.681 -1.199 187 H ASN 26 H ASN 26 -9.124 6.537 -2.132 188 HA ASN 26 HA ASN 26 -7.881 4.068 -1.179 189 HB2 ASN 26 2HB ASN 26 -9.438 4.746 -3.702 190 HB3 ASN 26 3HB ASN 26 -8.687 3.176 -3.384 191 HD21 ASN 26 1HD2 ASN 26 -11.489 4.845 -3.268 192 HD22 ASN 26 2HD2 ASN 26 -12.356 3.865 -2.132 193 H ARG 27 H ARG 27 -5.831 3.438 -1.797 194 HA ARG 27 HA ARG 27 -4.588 5.040 -3.935 195 HB2 ARG 27 2HB ARG 27 -3.550 4.230 -1.242 196 HB3 ARG 27 3HB ARG 27 -2.428 4.357 -2.604 197 HG2 ARG 27 2HG ARG 27 -3.100 6.698 -2.976 198 HG3 ARG 27 3HG ARG 27 -4.293 6.584 -1.674 199 HD2 ARG 27 2HD ARG 27 -2.700 6.556 -0.015 200 HD3 ARG 27 3HD ARG 27 -1.429 5.949 -1.085 201 HE ARG 27 HE ARG 27 -1.057 8.140 -1.881 202 HH11 ARG 27 1HH1 ARG 27 -3.672 8.083 0.464 203 HH12 ARG 27 2HH1 ARG 27 -3.591 9.787 0.768 204 HH21 ARG 27 1HH2 ARG 27 -0.971 10.322 -1.492 205 HH22 ARG 27 2HH2 ARG 27 -2.040 11.074 -0.355 206 H TYR 28 H TYR 28 -3.331 3.936 -5.488 207 HA TYR 28 HA TYR 28 -3.368 0.996 -5.221 208 HB2 TYR 28 2HB TYR 28 -4.674 1.662 -7.127 209 HB3 TYR 28 3HB TYR 28 -3.490 2.880 -7.617 210 HD1 TYR 28 HD1 TYR 28 -3.464 -0.829 -6.866 211 HD2 TYR 28 HD2 TYR 28 -2.252 2.336 -9.505 212 HE1 TYR 28 HE1 TYR 28 -2.375 -2.484 -8.350 213 HE2 TYR 28 HE2 TYR 28 -1.172 0.682 -10.997 214 HH TYR 28 HH TYR 28 -0.877 -2.731 -10.055 215 H PHE 29 H PHE 29 -1.415 -0.085 -5.178 216 HA PHE 29 HA PHE 29 0.983 1.451 -5.888 217 HB2 PHE 29 2HB PHE 29 2.061 0.816 -3.788 218 HB3 PHE 29 3HB PHE 29 0.607 1.768 -3.462 219 HD1 PHE 29 HD1 PHE 29 -1.383 0.734 -2.462 220 HD2 PHE 29 HD2 PHE 29 2.174 -1.555 -3.214 221 HE1 PHE 29 HE1 PHE 29 -2.221 -1.058 -0.975 222 HE2 PHE 29 HE2 PHE 29 1.331 -3.349 -1.730 223 HZ PHE 29 HZ PHE 29 -0.865 -3.104 -0.607 224 H HIS 30 H HIS 30 3.005 -0.135 -5.672 225 HA HIS 30 HA HIS 30 2.124 -2.674 -6.889 226 HB2 HIS 30 2HB HIS 30 4.580 -0.994 -7.596 227 HB3 HIS 30 3HB HIS 30 4.092 -2.513 -8.358 228 HD2 HIS 30 HD2 HIS 30 2.206 -2.265 -10.391 229 HE1 HIS 30 HE1 HIS 30 1.543 1.940 -9.943 230 H VAL 31 H VAL 31 3.680 -4.502 -6.648 231 HA VAL 31 HA VAL 31 4.558 -4.891 -4.092 232 HB VAL 31 HB VAL 31 4.276 -6.673 -5.802 233 HG11 VAL 31 1HG1 VAL 31 6.070 -7.085 -7.458 234 HG12 VAL 31 2HG1 VAL 31 5.266 -5.502 -7.724 235 HG13 VAL 31 3HG1 VAL 31 6.884 -5.567 -6.948 236 HG21 VAL 31 3HG2 VAL 31 5.590 -7.135 -3.778 237 HG22 VAL 31 1HG2 VAL 31 6.256 -8.025 -5.188 238 HG23 VAL 31 2HG2 VAL 31 7.077 -6.543 -4.592 239 H ILE 32 H ILE 32 6.175 -3.136 -6.758 240 HA ILE 32 HA ILE 32 8.770 -3.317 -5.596 241 HB ILE 32 HB ILE 32 9.381 -1.634 -7.308 242 HG12 ILE 32 2HG1 ILE 32 6.411 -1.602 -8.020 243 HG13 ILE 32 3HG1 ILE 32 7.225 -0.330 -7.100 244 HG21 ILE 32 1HG2 ILE 32 8.767 -2.945 -9.313 245 HG22 ILE 32 2HG2 ILE 32 9.262 -4.002 -7.949 246 HG23 ILE 32 3HG2 ILE 32 7.523 -3.818 -8.357 247 HD11 ILE 32 3HD1 ILE 32 7.910 -1.185 -9.948 248 HD12 ILE 32 1HD1 ILE 32 7.007 0.290 -9.463 249 HD13 ILE 32 2HD1 ILE 32 8.736 0.107 -9.013 250 H LYS 33 H LYS 33 5.926 -1.375 -4.954 251 HA LYS 33 HA LYS 33 7.529 0.783 -3.798 252 HB2 LYS 33 2HB LYS 33 4.529 0.384 -4.214 253 HB3 LYS 33 3HB LYS 33 5.238 1.783 -3.396 254 HG2 LYS 33 2HG LYS 33 6.482 2.373 -5.477 255 HG3 LYS 33 3HG LYS 33 5.783 0.970 -6.295 256 HD2 LYS 33 2HD LYS 33 3.500 1.878 -5.986 257 HD3 LYS 33 3HD LYS 33 4.137 3.239 -5.053 258 HE2 LYS 33 2HE LYS 33 3.714 3.972 -7.345 259 HE3 LYS 33 3HE LYS 33 5.457 3.984 -7.046 260 HZ1 LYS 33 3HZ LYS 33 4.039 1.768 -8.380 261 HZ2 LYS 33 1HZ LYS 33 4.813 2.971 -9.168 262 HZ3 LYS 33 2HZ LYS 33 5.656 1.938 -8.225 263 H VAL 34 H VAL 34 6.772 -2.272 -2.806 264 HA VAL 34 HA VAL 34 5.977 -1.393 -0.120 265 HB VAL 34 HB VAL 34 5.867 -4.188 -1.367 266 HG11 VAL 34 1HG1 VAL 34 4.451 -4.723 0.593 267 HG12 VAL 34 2HG1 VAL 34 6.099 -4.203 1.081 268 HG13 VAL 34 3HG1 VAL 34 4.717 -3.066 1.232 269 HG21 VAL 34 3HG2 VAL 34 4.307 -2.656 -2.489 270 HG22 VAL 34 1HG2 VAL 34 3.420 -3.833 -1.462 271 HG23 VAL 34 2HG2 VAL 34 3.648 -2.143 -0.899 272 H ALA 35 H ALA 35 7.421 -1.643 1.582 273 HA ALA 35 HA ALA 35 10.104 -2.317 0.946 274 HB1 ALA 35 3HB ALA 35 8.684 -1.874 3.618 275 HB2 ALA 35 1HB ALA 35 10.462 -1.938 3.375 276 HB3 ALA 35 2HB ALA 35 9.500 -0.619 2.625 277 H ASN 36 H ASN 36 7.445 -4.038 2.750 278 HA ASN 36 HA ASN 36 9.140 -6.359 3.046 279 HB2 ASN 36 2HB ASN 36 6.222 -5.772 3.644 280 HB3 ASN 36 3HB ASN 36 6.926 -7.385 3.815 281 HD21 ASN 36 1HD2 ASN 36 5.780 -6.042 5.914 282 HD22 ASN 36 2HD2 ASN 36 7.006 -5.731 7.097 283 HA PRO 37 HA PRO 37 8.177 -8.177 -0.834 284 HB2 PRO 37 2HB PRO 37 8.530 -10.861 -0.190 285 HB3 PRO 37 3HB PRO 37 9.908 -9.757 -0.301 286 HG2 PRO 37 2HG PRO 37 8.389 -10.669 2.168 287 HG3 PRO 37 3HG PRO 37 10.137 -10.562 1.918 288 HD2 PRO 37 2HD PRO 37 8.813 -8.609 3.264 289 HD3 PRO 37 3HD PRO 37 10.172 -8.204 2.207 290 H ASP 38 H ASP 38 6.751 -9.621 -2.046 291 HA ASP 38 HA ASP 38 4.100 -9.405 -1.175 292 HB2 ASP 38 2HB ASP 38 3.615 -10.909 -3.082 293 HB3 ASP 38 3HB ASP 38 4.701 -9.587 -3.530 294 H LEU 39 H LEU 39 6.594 -11.627 -0.184 295 HA LEU 39 HA LEU 39 4.748 -13.781 0.418 296 HB2 LEU 39 2HB LEU 39 7.693 -13.293 1.083 297 HB3 LEU 39 3HB LEU 39 6.805 -14.770 1.479 298 HG LEU 39 HG LEU 39 7.308 -13.716 -1.354 299 HD11 LEU 39 1HD1 LEU 39 8.830 -15.649 -1.536 300 HD12 LEU 39 2HD1 LEU 39 9.356 -14.514 -0.247 301 HD13 LEU 39 3HD1 LEU 39 8.532 -16.049 0.190 302 HD21 LEU 39 3HD2 LEU 39 5.186 -14.958 -1.137 303 HD22 LEU 39 1HD2 LEU 39 6.405 -15.912 -2.049 304 HD23 LEU 39 2HD2 LEU 39 6.053 -16.310 -0.333 305 H ILE 40 H ILE 40 5.904 -10.824 1.959 306 HA ILE 40 HA ILE 40 4.801 -11.834 4.491 307 HB ILE 40 HB ILE 40 6.797 -9.571 3.963 308 HG12 ILE 40 2HG1 ILE 40 7.121 -12.256 5.384 309 HG13 ILE 40 3HG1 ILE 40 7.694 -11.894 3.750 310 HG21 ILE 40 1HG2 ILE 40 6.927 -9.389 6.425 311 HG22 ILE 40 2HG2 ILE 40 5.280 -9.016 5.814 312 HG23 ILE 40 3HG2 ILE 40 5.615 -10.605 6.581 313 HD11 ILE 40 3HD1 ILE 40 8.606 -10.501 6.308 314 HD12 ILE 40 1HD1 ILE 40 9.520 -11.739 5.383 315 HD13 ILE 40 2HD1 ILE 40 9.188 -10.134 4.650 316 H LYS 41 H LYS 41 2.569 -11.312 4.047 317 HA LYS 41 HA LYS 41 2.092 -8.442 4.380 318 HB2 LYS 41 2HB LYS 41 1.760 -8.890 1.983 319 HB3 LYS 41 3HB LYS 41 0.707 -10.262 2.353 320 HG2 LYS 41 2HG LYS 41 -0.649 -8.339 1.708 321 HG3 LYS 41 3HG LYS 41 -0.942 -8.720 3.410 322 HD2 LYS 41 2HD LYS 41 -0.701 -6.336 3.303 323 HD3 LYS 41 3HD LYS 41 0.800 -6.943 4.016 324 HE2 LYS 41 2HE LYS 41 1.924 -6.819 1.799 325 HE3 LYS 41 3HE LYS 41 0.421 -6.262 1.053 326 HZ1 LYS 41 3HZ LYS 41 2.224 -4.827 2.820 327 HZ2 LYS 41 1HZ LYS 41 1.430 -4.304 1.493 328 HZ3 LYS 41 2HZ LYS 41 0.637 -4.455 2.912 329 H LYS 42 H LYS 42 0.434 -7.983 5.854 330 HA LYS 42 HA LYS 42 -1.375 -10.018 6.733 331 HB2 LYS 42 2HB LYS 42 0.829 -10.741 7.753 332 HB3 LYS 42 3HB LYS 42 0.889 -9.196 8.611 333 HG2 LYS 42 2HG LYS 42 -1.175 -9.742 9.836 334 HG3 LYS 42 3HG LYS 42 -1.373 -11.233 8.905 335 HD2 LYS 42 2HD LYS 42 0.854 -12.040 9.794 336 HD3 LYS 42 3HD LYS 42 0.958 -10.578 10.785 337 HE2 LYS 42 2HE LYS 42 -1.190 -11.197 11.917 338 HE3 LYS 42 3HE LYS 42 -1.283 -12.664 10.933 339 HZ1 LYS 42 3HZ LYS 42 0.882 -12.026 12.835 340 HZ2 LYS 42 1HZ LYS 42 -0.321 -13.100 13.082 341 HZ3 LYS 42 2HZ LYS 42 0.797 -13.380 11.926 342 H ASP 43 H ASP 43 -2.877 -9.182 8.401 343 HA ASP 43 HA ASP 43 -3.260 -6.360 7.885 344 HB2 ASP 43 2HB ASP 43 -5.455 -6.733 8.884 345 HB3 ASP 43 3HB ASP 43 -5.118 -7.977 7.674 346 H ALA 44 H ALA 44 -1.185 -7.734 9.972 347 HA ALA 44 HA ALA 44 -2.287 -6.905 12.496 348 HB1 ALA 44 3HB ALA 44 0.475 -7.935 11.678 349 HB2 ALA 44 1HB ALA 44 -0.107 -7.722 13.364 350 HB3 ALA 44 2HB ALA 44 -0.893 -8.926 12.288 351 H ALA 45 H ALA 45 -0.525 -5.317 9.939 352 HA ALA 45 HA ALA 45 -0.642 -2.868 11.289 353 HB1 ALA 45 3HB ALA 45 2.132 -4.147 11.154 354 HB2 ALA 45 1HB ALA 45 1.785 -2.436 11.575 355 HB3 ALA 45 2HB ALA 45 1.209 -3.758 12.646 356 H VAL 46 H VAL 46 -0.557 -1.224 9.757 357 HA VAL 46 HA VAL 46 1.117 -1.734 7.418 358 HB VAL 46 HB VAL 46 -1.739 -0.632 7.335 359 HG11 VAL 46 1HG1 VAL 46 -1.396 -0.540 4.885 360 HG12 VAL 46 2HG1 VAL 46 -0.254 0.534 5.762 361 HG13 VAL 46 3HG1 VAL 46 0.314 -1.040 5.110 362 HG21 VAL 46 3HG2 VAL 46 -1.666 -3.078 7.582 363 HG22 VAL 46 1HG2 VAL 46 -2.208 -2.619 5.933 364 HG23 VAL 46 2HG2 VAL 46 -0.528 -3.197 6.198 365 H THR 47 H THR 47 2.460 0.029 6.986 366 HA THR 47 HA THR 47 1.270 2.649 7.343 367 HB THR 47 HB THR 47 2.566 2.272 9.442 368 HG1 THR 47 HG1 THR 47 2.578 4.361 7.948 369 HG21 THR 47 3HG2 THR 47 4.941 1.975 7.537 370 HG22 THR 47 1HG2 THR 47 5.035 2.084 9.328 371 HG23 THR 47 2HG2 THR 47 4.229 0.677 8.554 372 H PHE 48 H PHE 48 2.255 4.284 5.935 373 HA PHE 48 HA PHE 48 4.370 3.429 4.156 374 HB2 PHE 48 2HB PHE 48 3.066 3.628 2.121 375 HB3 PHE 48 3HB PHE 48 2.339 2.390 3.153 376 HD1 PHE 48 HD1 PHE 48 0.246 2.917 4.445 377 HD2 PHE 48 HD2 PHE 48 1.860 5.598 1.503 378 HE1 PHE 48 HE1 PHE 48 -1.935 4.081 4.308 379 HE2 PHE 48 HE2 PHE 48 -0.320 6.761 1.368 380 HZ PHE 48 HZ PHE 48 -2.220 6.008 2.772 381 H GLU 49 H GLU 49 4.826 5.264 2.490 382 HA GLU 49 HA GLU 49 4.472 7.811 3.887 383 HB2 GLU 49 2HB GLU 49 6.227 6.916 1.552 384 HB3 GLU 49 3HB GLU 49 6.154 8.577 2.152 385 HG2 GLU 49 2HG GLU 49 6.930 7.770 4.404 386 HG3 GLU 49 3HG GLU 49 7.062 6.132 3.749 387 HA PRO 50 HA PRO 50 1.257 9.061 1.160 388 HB2 PRO 50 2HB PRO 50 1.529 11.825 1.493 389 HB3 PRO 50 3HB PRO 50 0.806 10.800 2.740 390 HG2 PRO 50 2HG PRO 50 3.657 11.827 2.531 391 HG3 PRO 50 3HG PRO 50 2.594 11.782 3.944 392 HD2 PRO 50 2HD PRO 50 4.504 9.889 3.619 393 HD3 PRO 50 3HD PRO 50 2.929 9.449 4.291 394 H THR 51 H THR 51 1.197 8.952 -0.972 395 HA THR 51 HA THR 51 2.875 10.845 -2.414 396 HB THR 51 HB THR 51 3.438 9.018 -4.089 397 HG1 THR 51 HG1 THR 51 1.715 7.586 -2.874 398 HG21 THR 51 3HG2 THR 51 4.510 8.662 -1.247 399 HG22 THR 51 1HG2 THR 51 5.303 8.085 -2.751 400 HG23 THR 51 2HG2 THR 51 5.098 9.846 -2.463 401 H THR 52 H THR 52 2.187 10.882 -4.848 402 HA THR 52 HA THR 52 -0.427 9.830 -5.379 403 HB THR 52 HB THR 52 -1.040 11.848 -4.095 404 HG1 THR 52 HG1 THR 52 -2.275 12.887 -5.820 405 HG21 THR 52 3HG2 THR 52 0.621 13.347 -6.180 406 HG22 THR 52 1HG2 THR 52 -0.414 14.099 -4.920 407 HG23 THR 52 2HG2 THR 52 1.030 13.145 -4.443 408 H ASN 53 H ASN 53 -0.878 9.809 -7.658 409 HA ASN 53 HA ASN 53 1.249 11.003 -9.311 410 HB2 ASN 53 2HB ASN 53 -0.493 8.585 -9.920 411 HB3 ASN 53 3HB ASN 53 0.762 9.266 -10.964 412 HD21 ASN 53 1HD2 ASN 53 0.099 6.854 -8.891 413 HD22 ASN 53 2HD2 ASN 53 1.710 6.430 -8.418 414 H ASN 54 H ASN 54 0.497 11.695 -11.553 415 HA ASN 54 HA ASN 54 -1.866 13.240 -11.392 416 HB2 ASN 54 2HB ASN 54 -0.004 12.475 -13.662 417 HB3 ASN 54 3HB ASN 54 -1.438 13.481 -13.907 418 HD21 ASN 54 1HD2 ASN 54 1.125 14.331 -14.465 419 HD22 ASN 54 2HD2 ASN 54 1.482 15.674 -13.432 420 H LYS 55 H LYS 55 -1.237 9.876 -12.261 421 HA LYS 55 HA LYS 55 -3.763 9.700 -13.726 422 HB2 LYS 55 2HB LYS 55 -1.539 7.690 -13.139 423 HB3 LYS 55 3HB LYS 55 -3.015 7.310 -14.037 424 HG2 LYS 55 2HG LYS 55 -2.403 9.010 -15.762 425 HG3 LYS 55 3HG LYS 55 -0.928 9.390 -14.864 426 HD2 LYS 55 2HD LYS 55 -0.171 7.013 -15.108 427 HD3 LYS 55 3HD LYS 55 -1.643 6.640 -16.015 428 HE2 LYS 55 2HE LYS 55 -1.004 8.366 -17.729 429 HE3 LYS 55 3HE LYS 55 0.486 8.688 -16.831 430 HZ1 LYS 55 3HZ LYS 55 -0.255 6.091 -18.020 431 HZ2 LYS 55 1HZ LYS 55 0.848 7.136 -18.618 432 HZ3 LYS 55 2HZ LYS 55 1.120 6.388 -17.192 433 H GLY 56 H GLY 56 -2.772 9.687 -10.469 434 HA2 GLY 56 2HA GLY 56 -5.045 9.206 -9.261 435 HA3 GLY 56 3HA GLY 56 -4.626 7.547 -9.709 436 H LEU 57 H LEU 57 -4.896 8.397 -6.972 437 HA LEU 57 HA LEU 57 -2.318 9.098 -5.929 438 HB2 LEU 57 2HB LEU 57 -5.043 8.365 -4.831 439 HB3 LEU 57 3HB LEU 57 -3.642 8.332 -3.752 440 HG LEU 57 HG LEU 57 -3.176 10.742 -4.322 441 HD11 LEU 57 1HD1 LEU 57 -4.925 12.030 -5.491 442 HD12 LEU 57 2HD1 LEU 57 -4.217 10.767 -6.552 443 HD13 LEU 57 3HD1 LEU 57 -5.833 10.513 -5.810 444 HD21 LEU 57 3HD2 LEU 57 -4.482 10.105 -2.325 445 HD22 LEU 57 1HD2 LEU 57 -5.085 11.642 -3.032 446 HD23 LEU 57 2HD2 LEU 57 -5.989 10.114 -3.302 447 H SER 58 H SER 58 -0.788 7.787 -4.871 448 HA SER 58 HA SER 58 -1.310 4.887 -5.014 449 HB2 SER 58 2HB SER 58 1.102 6.454 -6.022 450 HB3 SER 58 3HB SER 58 1.142 4.714 -5.707 451 HG SER 58 HG SER 58 -0.513 4.410 -7.257 452 H ALA 59 H ALA 59 0.282 3.614 -3.631 453 HA ALA 59 HA ALA 59 1.087 5.246 -1.307 454 HB1 ALA 59 3HB ALA 59 0.276 2.303 -1.498 455 HB2 ALA 59 1HB ALA 59 0.830 3.143 -0.010 456 HB3 ALA 59 2HB ALA 59 -0.706 3.635 -0.801 457 H TYR 60 H TYR 60 3.208 5.097 -0.539 458 HA TYR 60 HA TYR 60 4.979 3.357 -2.127 459 HB2 TYR 60 2HB TYR 60 5.029 5.640 -3.069 460 HB3 TYR 60 3HB TYR 60 5.333 6.323 -1.466 461 HD1 TYR 60 HD1 TYR 60 6.796 3.953 -3.991 462 HD2 TYR 60 HD2 TYR 60 7.541 6.610 -0.703 463 HE1 TYR 60 HE1 TYR 60 9.230 3.709 -4.353 464 HE2 TYR 60 HE2 TYR 60 9.978 6.371 -1.061 465 HH TYR 60 HH TYR 60 11.589 5.446 -2.254 466 H ALA 61 H ALA 61 6.935 2.682 -1.043 467 HA ALA 61 HA ALA 61 8.021 1.872 0.712 468 HB1 ALA 61 3HB ALA 61 7.208 4.539 1.968 469 HB2 ALA 61 1HB ALA 61 8.472 3.428 2.594 470 HB3 ALA 61 2HB ALA 61 8.687 4.225 0.999 471 H VAL 62 H VAL 62 5.639 0.610 0.538 472 HA VAL 62 HA VAL 62 4.069 1.021 2.900 473 HB VAL 62 HB VAL 62 3.998 -1.142 0.734 474 HG11 VAL 62 1HG1 VAL 62 1.739 -1.654 1.608 475 HG12 VAL 62 2HG1 VAL 62 3.014 -1.948 2.838 476 HG13 VAL 62 3HG1 VAL 62 1.991 -0.475 2.939 477 HG21 VAL 62 3HG2 VAL 62 3.516 1.113 -0.116 478 HG22 VAL 62 1HG2 VAL 62 2.028 0.108 -0.093 479 HG23 VAL 62 2HG2 VAL 62 2.291 1.352 1.176 480 H LYS 63 H LYS 63 4.137 -0.161 4.830 481 HA LYS 63 HA LYS 63 6.072 -2.373 4.930 482 HB2 LYS 63 2HB LYS 63 7.210 -0.267 5.602 483 HB3 LYS 63 3HB LYS 63 5.949 0.038 6.804 484 HG2 LYS 63 2HG LYS 63 6.595 -2.016 8.036 485 HG3 LYS 63 3HG LYS 63 7.819 -2.383 6.813 486 HD2 LYS 63 2HD LYS 63 9.013 -0.266 7.336 487 HD3 LYS 63 3HD LYS 63 7.765 0.168 8.512 488 HE2 LYS 63 2HE LYS 63 8.306 -1.844 9.866 489 HE3 LYS 63 3HE LYS 63 9.511 -2.345 8.671 490 HZ1 LYS 63 3HZ LYS 63 9.614 0.147 10.249 491 HZ2 LYS 63 1HZ LYS 63 10.516 -1.188 10.510 492 HZ3 LYS 63 2HZ LYS 63 10.726 -0.315 9.146 493 H VAL 64 H VAL 64 5.223 -4.146 5.997 494 HA VAL 64 HA VAL 64 3.072 -3.639 7.903 495 HB VAL 64 HB VAL 64 4.269 -6.230 6.798 496 HG11 VAL 64 1HG1 VAL 64 2.383 -7.358 7.937 497 HG12 VAL 64 2HG1 VAL 64 3.477 -6.539 9.103 498 HG13 VAL 64 3HG1 VAL 64 1.900 -5.793 8.675 499 HG21 VAL 64 3HG2 VAL 64 2.948 -4.969 5.152 500 HG22 VAL 64 1HG2 VAL 64 2.078 -6.454 5.665 501 HG23 VAL 64 2HG2 VAL 64 1.584 -4.855 6.315 502 H VAL 65 H VAL 65 3.437 -3.651 10.125 503 HA VAL 65 HA VAL 65 6.263 -3.886 10.810 504 HB VAL 65 HB VAL 65 3.914 -2.564 12.264 505 HG11 VAL 65 1HG1 VAL 65 5.651 -1.573 13.723 506 HG12 VAL 65 2HG1 VAL 65 5.624 -3.365 13.837 507 HG13 VAL 65 3HG1 VAL 65 6.905 -2.545 12.882 508 HG21 VAL 65 3HG2 VAL 65 4.535 -1.409 10.186 509 HG22 VAL 65 1HG2 VAL 65 5.024 -0.447 11.622 510 HG23 VAL 65 2HG2 VAL 65 6.255 -1.377 10.702 511 HA PRO 66 HA PRO 66 5.117 -7.577 13.114 512 HB2 PRO 66 2HB PRO 66 7.708 -8.320 13.736 513 HB3 PRO 66 3HB PRO 66 7.117 -8.507 12.079 514 HG2 PRO 66 2HG PRO 66 8.818 -6.290 13.260 515 HG3 PRO 66 3HG PRO 66 9.023 -7.153 11.730 516 HD2 PRO 66 2HD PRO 66 7.851 -4.673 11.866 517 HD3 PRO 66 3HD PRO 66 7.412 -5.853 10.625 518 H LEU 67 H LEU 67 5.443 -8.459 15.321 519 HA LEU 67 HA LEU 67 5.181 -6.374 17.218 520 HB2 LEU 67 2HB LEU 67 4.054 -8.550 17.426 521 HB3 LEU 67 3HB LEU 67 5.609 -9.389 17.483 522 HG LEU 67 HG LEU 67 6.138 -8.216 19.647 523 HD11 LEU 67 1HD1 LEU 67 4.314 -7.043 20.824 524 HD12 LEU 67 2HD1 LEU 67 4.751 -6.213 19.292 525 HD13 LEU 67 3HD1 LEU 67 3.265 -7.218 19.378 526 HD21 LEU 67 3HD2 LEU 67 5.136 -10.472 19.602 527 HD22 LEU 67 1HD2 LEU 67 4.533 -9.523 21.002 528 HD23 LEU 67 2HD2 LEU 67 3.494 -9.747 19.554 529 H GLU 68 H GLU 68 7.773 -8.951 16.889 530 HA GLU 68 HA GLU 68 9.544 -7.123 18.358 531 HB2 GLU 68 2HB GLU 68 9.726 -10.105 17.712 532 HB3 GLU 68 3HB GLU 68 10.989 -9.183 18.537 533 HG2 GLU 68 2HG GLU 68 9.376 -8.649 20.378 534 HG3 GLU 68 3HG GLU 68 8.137 -9.608 19.557 535 H HIS 69 H HIS 69 11.792 -6.834 17.565 536 HA HIS 69 HA HIS 69 11.822 -6.525 14.700 537 HB2 HIS 69 2HB HIS 69 13.959 -5.426 15.081 538 HB3 HIS 69 3HB HIS 69 12.768 -4.818 16.239 539 HD2 HIS 69 HD2 HIS 69 13.368 -5.291 18.936 540 HE1 HIS 69 HE1 HIS 69 17.035 -7.385 18.230 541 H HIS 70 H HIS 70 14.065 -7.171 13.578 542 HA HIS 70 HA HIS 70 14.208 -9.993 13.637 543 HB2 HIS 70 2HB HIS 70 14.672 -8.449 11.668 544 HB3 HIS 70 3HB HIS 70 16.194 -7.998 12.447 545 HD2 HIS 70 HD2 HIS 70 14.808 -10.745 10.142 546 HE1 HIS 70 HE1 HIS 70 18.625 -12.098 11.534 547 H HIS 71 H HIS 71 15.443 -11.364 14.882 548 HA HIS 71 HA HIS 71 17.402 -10.080 16.660 549 HB2 HIS 71 2HB HIS 71 15.945 -12.764 16.808 550 HB3 HIS 71 3HB HIS 71 17.172 -12.223 17.961 551 HD2 HIS 71 HD2 HIS 71 13.383 -11.788 17.270 552 HE1 HIS 71 HE1 HIS 71 14.424 -9.131 20.461 553 H HIS 72 H HIS 72 19.544 -10.955 16.891 554 HA HIS 72 HA HIS 72 20.303 -12.678 14.619 555 HB2 HIS 72 2HB HIS 72 21.874 -10.424 15.966 556 HB3 HIS 72 3HB HIS 72 22.489 -11.475 14.683 557 HD2 HIS 72 HD2 HIS 72 20.088 -8.396 15.114 558 HE1 HIS 72 HE1 HIS 72 20.484 -9.238 10.936 559 H HIS 73 H HIS 73 21.897 -14.316 15.005 560 HA HIS 73 HA HIS 73 22.604 -14.692 17.837 561 HB2 HIS 73 2HB HIS 73 21.539 -16.822 15.917 562 HB3 HIS 73 3HB HIS 73 22.162 -17.126 17.544 563 HD2 HIS 73 HD2 HIS 73 18.865 -16.102 15.808 564 HE1 HIS 73 HE1 HIS 73 18.276 -15.645 20.024 565 H HIS 74 H HIS 74 24.556 -16.030 18.166 566 HA HIS 74 HA HIS 74 26.203 -16.207 15.728 567 HB2 HIS 74 2HB HIS 74 27.076 -15.252 18.499 568 HB3 HIS 74 3HB HIS 74 28.141 -15.493 17.108 569 HD2 HIS 74 HD2 HIS 74 25.633 -12.845 18.503 570 HE1 HIS 74 HE1 HIS 74 27.185 -11.381 14.791 Start of MODEL 6 1 H1 MET 1 1H MET 1 7.258 12.582 6.725 2 H2 MET 1 2H MET 1 6.767 11.580 7.917 3 H3 MET 1 3H MET 1 7.900 11.086 6.850 4 HA MET 1 HA MET 1 5.112 11.704 6.257 5 HB2 MET 1 2HB MET 1 6.655 12.289 4.413 6 HB3 MET 1 3HB MET 1 7.373 10.674 4.480 7 HG2 MET 1 2HG MET 1 5.159 9.682 3.863 8 HG3 MET 1 3HG MET 1 4.473 11.308 3.758 9 HE1 MET 1 3HE MET 1 6.782 13.085 2.225 10 HE2 MET 1 1HE MET 1 6.011 12.860 0.618 11 HE3 MET 1 2HE MET 1 4.992 13.039 2.086 12 H ALA 2 H ALA 2 3.987 10.165 7.452 13 HA ALA 2 HA ALA 2 4.420 7.436 6.552 14 HB1 ALA 2 3HB ALA 2 4.417 8.235 9.506 15 HB2 ALA 2 1HB ALA 2 4.342 6.555 8.875 16 HB3 ALA 2 2HB ALA 2 5.804 7.557 8.589 17 H MET 3 H MET 3 2.481 6.344 6.290 18 HA MET 3 HA MET 3 0.100 7.636 7.451 19 HB2 MET 3 2HB MET 3 0.421 8.383 5.096 20 HB3 MET 3 3HB MET 3 0.484 6.696 4.568 21 HG2 MET 3 2HG MET 3 -1.719 7.451 4.087 22 HG3 MET 3 3HG MET 3 -1.866 6.403 5.504 23 HE1 MET 3 3HE MET 3 -1.629 9.917 4.100 24 HE2 MET 3 1HE MET 3 -2.304 10.995 5.369 25 HE3 MET 3 2HE MET 3 -0.630 10.363 5.524 26 H ASN 4 H ASN 4 -1.547 6.211 8.105 27 HA ASN 4 HA ASN 4 -0.811 3.372 7.880 28 HB2 ASN 4 2HB ASN 4 -2.384 4.926 9.960 29 HB3 ASN 4 3HB ASN 4 -2.422 3.161 9.855 30 HD21 ASN 4 1HD2 ASN 4 -1.501 4.791 12.016 31 HD22 ASN 4 2HD2 ASN 4 0.138 4.315 12.311 32 H GLY 5 H GLY 5 -2.534 1.790 7.463 33 HA2 GLY 5 2HA GLY 5 -5.178 2.582 6.870 34 HA3 GLY 5 3HA GLY 5 -4.223 2.569 5.382 35 H THR 6 H THR 6 -5.996 0.786 4.968 36 HA THR 6 HA THR 6 -4.852 -1.761 5.877 37 HB THR 6 HB THR 6 -7.173 -2.698 5.868 38 HG1 THR 6 HG1 THR 6 -8.940 -1.129 5.859 39 HG21 THR 6 3HG2 THR 6 -6.786 -0.271 7.690 40 HG22 THR 6 1HG2 THR 6 -7.927 -1.629 7.974 41 HG23 THR 6 2HG2 THR 6 -6.156 -1.927 7.982 42 H ILE 7 H ILE 7 -4.851 -3.475 4.294 43 HA ILE 7 HA ILE 7 -5.221 -2.623 1.574 44 HB ILE 7 HB ILE 7 -4.476 -5.302 2.849 45 HG12 ILE 7 2HG1 ILE 7 -2.794 -3.347 1.215 46 HG13 ILE 7 3HG1 ILE 7 -2.855 -3.342 2.982 47 HG21 ILE 7 1HG2 ILE 7 -3.888 -6.034 0.562 48 HG22 ILE 7 2HG2 ILE 7 -5.642 -5.680 0.721 49 HG23 ILE 7 3HG2 ILE 7 -4.559 -4.503 -0.096 50 HD11 ILE 7 3HD1 ILE 7 -1.945 -5.674 1.237 51 HD12 ILE 7 1HD1 ILE 7 -0.887 -4.561 2.168 52 HD13 ILE 7 2HD1 ILE 7 -2.007 -5.669 3.032 53 H THR 8 H THR 8 -7.130 -2.780 0.430 54 HA THR 8 HA THR 8 -9.323 -4.242 1.576 55 HB THR 8 HB THR 8 -9.019 -2.722 -1.066 56 HG1 THR 8 HG1 THR 8 -10.307 -1.133 0.116 57 HG21 THR 8 3HG2 THR 8 -11.508 -3.823 0.331 58 HG22 THR 8 1HG2 THR 8 -11.497 -2.793 -1.140 59 HG23 THR 8 2HG2 THR 8 -10.787 -4.442 -1.193 60 H THR 9 H THR 9 -7.051 -4.566 -1.242 61 HA THR 9 HA THR 9 -7.744 -7.382 -1.288 62 HB THR 9 HB THR 9 -9.252 -6.352 -2.985 63 HG1 THR 9 HG1 THR 9 -7.510 -7.519 -4.780 64 HG21 THR 9 3HG2 THR 9 -6.641 -5.427 -4.281 65 HG22 THR 9 1HG2 THR 9 -8.279 -5.306 -5.009 66 HG23 THR 9 2HG2 THR 9 -7.883 -4.371 -3.527 67 H TRP 10 H TRP 10 -5.989 -8.712 -2.020 68 HA TRP 10 HA TRP 10 -3.524 -7.223 -2.655 69 HB2 TRP 10 2HB TRP 10 -3.637 -7.860 -0.220 70 HB3 TRP 10 3HB TRP 10 -3.818 -9.554 -0.693 71 HD1 TRP 10 HD1 TRP 10 -1.331 -7.209 -2.523 72 HE1 TRP 10 HE1 TRP 10 1.072 -8.049 -2.069 73 HE3 TRP 10 HE3 TRP 10 -2.395 -10.852 0.941 74 HZ2 TRP 10 HZ2 TRP 10 2.350 -9.980 -0.471 75 HZ3 TRP 10 HZ3 TRP 10 -0.510 -12.168 1.901 76 HH2 TRP 10 HH2 TRP 10 1.801 -11.746 1.220 77 H PHE 11 H PHE 11 -2.544 -7.981 -4.487 78 HA PHE 11 HA PHE 11 -3.144 -10.771 -5.245 79 HB2 PHE 11 2HB PHE 11 -2.540 -8.351 -7.015 80 HB3 PHE 11 3HB PHE 11 -2.766 -10.009 -7.588 81 HD1 PHE 11 HD1 PHE 11 -5.002 -11.094 -7.442 82 HD2 PHE 11 HD2 PHE 11 -4.417 -6.969 -6.394 83 HE1 PHE 11 HE1 PHE 11 -7.440 -10.705 -7.611 84 HE2 PHE 11 HE2 PHE 11 -6.857 -6.584 -6.559 85 HZ PHE 11 HZ PHE 11 -8.372 -8.449 -7.167 86 H LYS 12 H LYS 12 -1.294 -11.586 -4.034 87 HA LYS 12 HA LYS 12 1.261 -10.443 -4.226 88 HB2 LYS 12 2HB LYS 12 0.509 -12.003 -2.444 89 HB3 LYS 12 3HB LYS 12 0.389 -13.311 -3.628 90 HG2 LYS 12 2HG LYS 12 2.835 -13.182 -4.040 91 HG3 LYS 12 3HG LYS 12 2.969 -11.841 -2.895 92 HD2 LYS 12 2HD LYS 12 2.114 -13.309 -1.064 93 HD3 LYS 12 3HD LYS 12 1.955 -14.650 -2.205 94 HE2 LYS 12 2HE LYS 12 4.421 -14.530 -2.669 95 HE3 LYS 12 3HE LYS 12 4.568 -13.214 -1.496 96 HZ1 LYS 12 3HZ LYS 12 3.638 -15.946 -0.881 97 HZ2 LYS 12 1HZ LYS 12 5.108 -15.333 -0.522 98 HZ3 LYS 12 2HZ LYS 12 3.773 -14.732 0.202 99 H ASP 13 H ASP 13 -0.444 -12.920 -6.242 100 HA ASP 13 HA ASP 13 1.919 -13.751 -7.585 101 HB2 ASP 13 2HB ASP 13 -1.068 -13.998 -8.148 102 HB3 ASP 13 3HB ASP 13 0.157 -14.655 -9.241 103 H LYS 14 H LYS 14 -0.337 -11.023 -7.986 104 HA LYS 14 HA LYS 14 0.761 -10.493 -10.652 105 HB2 LYS 14 2HB LYS 14 -1.481 -9.188 -9.036 106 HB3 LYS 14 3HB LYS 14 -0.975 -8.677 -10.652 107 HG2 LYS 14 2HG LYS 14 -1.575 -10.954 -11.533 108 HG3 LYS 14 3HG LYS 14 -2.135 -11.412 -9.919 109 HD2 LYS 14 2HD LYS 14 -3.799 -9.546 -9.961 110 HD3 LYS 14 3HD LYS 14 -3.235 -9.074 -11.570 111 HE2 LYS 14 2HE LYS 14 -3.844 -11.382 -12.413 112 HE3 LYS 14 3HE LYS 14 -4.500 -11.760 -10.815 113 HZ1 LYS 14 3HZ LYS 14 -5.445 -9.586 -12.570 114 HZ2 LYS 14 1HZ LYS 14 -6.205 -11.008 -12.315 115 HZ3 LYS 14 2HZ LYS 14 -6.051 -9.935 -11.094 116 H GLY 15 H GLY 15 1.340 -9.708 -7.310 117 HA2 GLY 15 2HA GLY 15 2.883 -8.326 -6.428 118 HA3 GLY 15 3HA GLY 15 3.369 -7.848 -8.061 119 H PHE 16 H PHE 16 -0.004 -7.557 -6.769 120 HA PHE 16 HA PHE 16 0.351 -4.639 -6.785 121 HB2 PHE 16 2HB PHE 16 -0.474 -5.243 -9.013 122 HB3 PHE 16 3HB PHE 16 -1.738 -6.265 -8.316 123 HD1 PHE 16 HD1 PHE 16 -0.578 -2.746 -8.701 124 HD2 PHE 16 HD2 PHE 16 -3.802 -5.342 -7.548 125 HE1 PHE 16 HE1 PHE 16 -2.121 -0.812 -8.656 126 HE2 PHE 16 HE2 PHE 16 -5.346 -3.407 -7.513 127 HZ PHE 16 HZ PHE 16 -4.506 -1.136 -8.063 128 H GLY 17 H GLY 17 -0.980 -3.515 -5.295 129 HA2 GLY 17 2HA GLY 17 -3.050 -5.115 -3.947 130 HA3 GLY 17 3HA GLY 17 -1.784 -4.346 -2.981 131 H PHE 18 H PHE 18 -4.539 -3.698 -2.613 132 HA PHE 18 HA PHE 18 -4.497 -0.893 -3.468 133 HB2 PHE 18 2HB PHE 18 -5.924 -2.315 -5.041 134 HB3 PHE 18 3HB PHE 18 -6.962 -2.685 -3.657 135 HD1 PHE 18 HD1 PHE 18 -5.666 0.100 -5.777 136 HD2 PHE 18 HD2 PHE 18 -8.602 -1.143 -2.898 137 HE1 PHE 18 HE1 PHE 18 -6.935 2.191 -6.167 138 HE2 PHE 18 HE2 PHE 18 -9.873 0.944 -3.294 139 HZ PHE 18 HZ PHE 18 -9.039 2.617 -4.925 140 H ILE 19 H ILE 19 -5.346 0.547 -1.886 141 HA ILE 19 HA ILE 19 -5.871 -0.821 0.655 142 HB ILE 19 HB ILE 19 -4.290 0.821 1.732 143 HG12 ILE 19 2HG1 ILE 19 -3.400 1.366 -1.139 144 HG13 ILE 19 3HG1 ILE 19 -4.387 2.473 -0.176 145 HG21 ILE 19 1HG2 ILE 19 -2.222 -0.346 1.042 146 HG22 ILE 19 2HG2 ILE 19 -3.593 -1.486 1.259 147 HG23 ILE 19 3HG2 ILE 19 -3.078 -1.005 -0.393 148 HD11 ILE 19 3HD1 ILE 19 -1.570 1.531 0.521 149 HD12 ILE 19 1HD1 ILE 19 -2.025 3.136 -0.143 150 HD13 ILE 19 2HD1 ILE 19 -2.572 2.656 1.499 151 H LYS 20 H LYS 20 -7.127 0.408 2.198 152 HA LYS 20 HA LYS 20 -8.109 2.997 1.186 153 HB2 LYS 20 2HB LYS 20 -9.835 1.271 1.644 154 HB3 LYS 20 3HB LYS 20 -9.232 1.091 3.297 155 HG2 LYS 20 2HG LYS 20 -9.827 3.484 3.757 156 HG3 LYS 20 3HG LYS 20 -10.466 3.629 2.114 157 HD2 LYS 20 2HD LYS 20 -12.116 1.820 2.578 158 HD3 LYS 20 3HD LYS 20 -11.461 1.624 4.209 159 HE2 LYS 20 2HE LYS 20 -12.075 3.981 4.750 160 HE3 LYS 20 3HE LYS 20 -12.703 4.202 3.111 161 HZ1 LYS 20 3HZ LYS 20 -13.740 2.268 5.084 162 HZ2 LYS 20 1HZ LYS 20 -14.447 3.679 4.664 163 HZ3 LYS 20 2HZ LYS 20 -14.320 2.472 3.571 164 H ASP 21 H ASP 21 -7.679 4.882 2.331 165 HA ASP 21 HA ASP 21 -5.509 4.664 4.193 166 HB2 ASP 21 2HB ASP 21 -5.913 6.435 2.340 167 HB3 ASP 21 3HB ASP 21 -7.085 7.161 3.447 168 H GLU 22 H GLU 22 -5.482 5.474 6.422 169 HA GLU 22 HA GLU 22 -7.770 5.326 7.996 170 HB2 GLU 22 2HB GLU 22 -6.480 6.561 9.636 171 HB3 GLU 22 3HB GLU 22 -5.425 5.396 8.824 172 HG2 GLU 22 2HG GLU 22 -4.590 7.276 7.341 173 HG3 GLU 22 3HG GLU 22 -5.555 8.406 8.300 174 H ASN 23 H ASN 23 -6.868 7.726 5.585 175 HA ASN 23 HA ASN 23 -8.695 9.684 6.725 176 HB2 ASN 23 2HB ASN 23 -6.994 9.661 4.205 177 HB3 ASN 23 3HB ASN 23 -8.079 10.981 4.664 178 HD21 ASN 23 1HD2 ASN 23 -4.978 9.907 4.748 179 HD22 ASN 23 2HD2 ASN 23 -4.367 10.934 6.001 180 H GLY 24 H GLY 24 -8.931 6.827 4.833 181 HA2 GLY 24 2HA GLY 24 -10.985 5.990 4.192 182 HA3 GLY 24 3HA GLY 24 -11.652 7.626 4.128 183 H ASP 25 H ASP 25 -8.661 7.858 2.574 184 HA ASP 25 HA ASP 25 -9.964 7.824 -0.011 185 HB2 ASP 25 2HB ASP 25 -7.194 8.604 1.002 186 HB3 ASP 25 3HB ASP 25 -7.601 8.580 -0.719 187 H ASN 26 H ASN 26 -9.604 6.354 -1.689 188 HA ASN 26 HA ASN 26 -8.101 3.968 -0.898 189 HB2 ASN 26 2HB ASN 26 -10.128 4.444 -3.115 190 HB3 ASN 26 3HB ASN 26 -9.286 2.917 -2.820 191 HD21 ASN 26 1HD2 ASN 26 -12.059 4.589 -2.299 192 HD22 ASN 26 2HD2 ASN 26 -12.690 3.673 -0.971 193 H ARG 27 H ARG 27 -6.206 3.360 -1.921 194 HA ARG 27 HA ARG 27 -5.608 4.501 -4.520 195 HB2 ARG 27 2HB ARG 27 -3.481 5.411 -3.905 196 HB3 ARG 27 3HB ARG 27 -4.779 6.219 -3.017 197 HG2 ARG 27 2HG ARG 27 -4.254 4.841 -1.010 198 HG3 ARG 27 3HG ARG 27 -2.945 4.054 -1.900 199 HD2 ARG 27 2HD ARG 27 -1.876 5.659 -0.634 200 HD3 ARG 27 3HD ARG 27 -1.971 6.377 -2.248 201 HE ARG 27 HE ARG 27 -3.346 8.036 -1.417 202 HH11 ARG 27 1HH1 ARG 27 -3.169 5.463 0.971 203 HH12 ARG 27 2HH1 ARG 27 -3.911 6.413 2.216 204 HH21 ARG 27 1HH2 ARG 27 -4.309 9.233 0.182 205 HH22 ARG 27 2HH2 ARG 27 -4.566 8.576 1.764 206 H TYR 28 H TYR 28 -3.473 3.516 -5.395 207 HA TYR 28 HA TYR 28 -3.533 0.689 -4.573 208 HB2 TYR 28 2HB TYR 28 -2.811 0.222 -6.878 209 HB3 TYR 28 3HB TYR 28 -4.325 1.136 -6.859 210 HD1 TYR 28 HD1 TYR 28 -0.713 1.273 -7.646 211 HD2 TYR 28 HD2 TYR 28 -4.417 3.442 -7.667 212 HE1 TYR 28 HE1 TYR 28 0.298 2.972 -9.134 213 HE2 TYR 28 HE2 TYR 28 -3.413 5.146 -9.158 214 HH TYR 28 HH TYR 28 -1.621 5.806 -10.265 215 H PHE 29 H PHE 29 -1.487 -0.533 -4.604 216 HA PHE 29 HA PHE 29 0.925 1.109 -4.883 217 HB2 PHE 29 2HB PHE 29 1.890 0.300 -2.863 218 HB3 PHE 29 3HB PHE 29 0.281 0.894 -2.431 219 HD1 PHE 29 HD1 PHE 29 -1.518 -0.664 -1.816 220 HD2 PHE 29 HD2 PHE 29 2.419 -2.080 -2.792 221 HE1 PHE 29 HE1 PHE 29 -2.055 -2.857 -0.804 222 HE2 PHE 29 HE2 PHE 29 1.878 -4.274 -1.781 223 HZ PHE 29 HZ PHE 29 -0.359 -4.666 -0.784 224 H HIS 30 H HIS 30 2.927 -0.320 -5.140 225 HA HIS 30 HA HIS 30 2.135 -2.835 -6.464 226 HB2 HIS 30 2HB HIS 30 4.333 -0.844 -7.214 227 HB3 HIS 30 3HB HIS 30 4.093 -2.421 -7.978 228 HD2 HIS 30 HD2 HIS 30 2.629 1.189 -8.105 229 HE1 HIS 30 HE1 HIS 30 0.398 -1.236 -10.837 230 H VAL 31 H VAL 31 3.603 -4.642 -6.252 231 HA VAL 31 HA VAL 31 4.743 -4.880 -3.743 232 HB VAL 31 HB VAL 31 4.002 -6.741 -5.309 233 HG11 VAL 31 1HG1 VAL 31 5.667 -7.603 -6.927 234 HG12 VAL 31 2HG1 VAL 31 5.120 -5.946 -7.350 235 HG13 VAL 31 3HG1 VAL 31 6.725 -6.194 -6.582 236 HG21 VAL 31 3HG2 VAL 31 5.275 -7.201 -3.257 237 HG22 VAL 31 1HG2 VAL 31 5.756 -8.326 -4.572 238 HG23 VAL 31 2HG2 VAL 31 6.817 -6.943 -4.140 239 H ILE 32 H ILE 32 6.061 -3.489 -6.735 240 HA ILE 32 HA ILE 32 8.786 -3.859 -6.046 241 HB ILE 32 HB ILE 32 9.209 -2.202 -7.841 242 HG12 ILE 32 2HG1 ILE 32 6.171 -1.922 -7.976 243 HG13 ILE 32 3HG1 ILE 32 7.253 -0.727 -7.248 244 HG21 ILE 32 1HG2 ILE 32 8.137 -3.431 -9.699 245 HG22 ILE 32 2HG2 ILE 32 8.786 -4.544 -8.449 246 HG23 ILE 32 3HG2 ILE 32 7.022 -4.217 -8.531 247 HD11 ILE 32 3HD1 ILE 32 7.293 -1.624 -10.166 248 HD12 ILE 32 1HD1 ILE 32 6.630 -0.080 -9.533 249 HD13 ILE 32 2HD1 ILE 32 8.392 -0.411 -9.427 250 H LYS 33 H LYS 33 6.274 -1.679 -4.918 251 HA LYS 33 HA LYS 33 8.263 0.283 -4.031 252 HB2 LYS 33 2HB LYS 33 5.211 0.284 -3.864 253 HB3 LYS 33 3HB LYS 33 6.278 1.621 -3.412 254 HG2 LYS 33 2HG LYS 33 7.101 1.662 -5.831 255 HG3 LYS 33 3HG LYS 33 5.838 0.486 -6.215 256 HD2 LYS 33 2HD LYS 33 4.116 2.091 -5.287 257 HD3 LYS 33 3HD LYS 33 5.403 3.275 -5.024 258 HE2 LYS 33 2HE LYS 33 5.960 3.109 -7.508 259 HE3 LYS 33 3HE LYS 33 4.533 2.085 -7.707 260 HZ1 LYS 33 3HZ LYS 33 4.551 4.875 -6.753 261 HZ2 LYS 33 1HZ LYS 33 3.979 4.333 -8.183 262 HZ3 LYS 33 2HZ LYS 33 3.219 3.933 -6.795 263 H VAL 34 H VAL 34 7.639 -2.649 -2.924 264 HA VAL 34 HA VAL 34 6.970 -1.828 -0.195 265 HB VAL 34 HB VAL 34 7.159 -4.606 -1.470 266 HG11 VAL 34 1HG1 VAL 34 6.079 -5.388 0.616 267 HG12 VAL 34 2HG1 VAL 34 7.683 -4.643 0.932 268 HG13 VAL 34 3HG1 VAL 34 6.181 -3.724 1.286 269 HG21 VAL 34 3HG2 VAL 34 5.273 -3.296 -2.345 270 HG22 VAL 34 1HG2 VAL 34 4.692 -4.612 -1.270 271 HG23 VAL 34 2HG2 VAL 34 4.741 -2.920 -0.671 272 H ALA 35 H ALA 35 8.527 -1.830 1.424 273 HA ALA 35 HA ALA 35 11.235 -2.056 0.621 274 HB1 ALA 35 3HB ALA 35 9.936 -1.829 3.380 275 HB2 ALA 35 1HB ALA 35 11.680 -1.594 3.021 276 HB3 ALA 35 2HB ALA 35 10.461 -0.466 2.335 277 H ASN 36 H ASN 36 9.026 -4.182 2.583 278 HA ASN 36 HA ASN 36 11.035 -6.291 2.175 279 HB2 ASN 36 2HB ASN 36 9.384 -5.746 4.670 280 HB3 ASN 36 3HB ASN 36 10.284 -7.239 4.375 281 HD21 ASN 36 1HD2 ASN 36 10.379 -4.110 5.599 282 HD22 ASN 36 2HD2 ASN 36 12.074 -4.037 5.946 283 HA PRO 37 HA PRO 37 6.976 -7.580 0.393 284 HB2 PRO 37 2HB PRO 37 8.101 -8.815 -1.827 285 HB3 PRO 37 3HB PRO 37 7.802 -7.072 -1.808 286 HG2 PRO 37 2HG PRO 37 10.385 -8.571 -1.246 287 HG3 PRO 37 3HG PRO 37 10.131 -7.133 -2.244 288 HD2 PRO 37 2HD PRO 37 11.089 -6.917 0.294 289 HD3 PRO 37 3HD PRO 37 10.009 -5.685 -0.372 290 H ASP 38 H ASP 38 9.880 -9.293 1.417 291 HA ASP 38 HA ASP 38 8.567 -11.835 1.446 292 HB2 ASP 38 2HB ASP 38 11.001 -10.652 2.852 293 HB3 ASP 38 3HB ASP 38 10.437 -12.299 3.161 294 H LEU 39 H LEU 39 8.763 -8.995 3.659 295 HA LEU 39 HA LEU 39 7.419 -10.580 5.737 296 HB2 LEU 39 2HB LEU 39 8.754 -7.827 5.795 297 HB3 LEU 39 3HB LEU 39 8.014 -8.633 7.185 298 HG LEU 39 HG LEU 39 10.432 -9.682 5.623 299 HD11 LEU 39 1HD1 LEU 39 11.696 -9.080 7.654 300 HD12 LEU 39 2HD1 LEU 39 10.932 -7.639 6.901 301 HD13 LEU 39 3HD1 LEU 39 10.209 -8.373 8.372 302 HD21 LEU 39 3HD2 LEU 39 9.035 -11.471 6.594 303 HD22 LEU 39 1HD2 LEU 39 10.587 -11.308 7.482 304 HD23 LEU 39 2HD2 LEU 39 9.075 -10.645 8.189 305 H ILE 40 H ILE 40 6.562 -8.671 3.091 306 HA ILE 40 HA ILE 40 4.709 -6.897 4.016 307 HB ILE 40 HB ILE 40 5.378 -7.334 1.610 308 HG12 ILE 40 2HG1 ILE 40 2.364 -7.332 2.103 309 HG13 ILE 40 3HG1 ILE 40 3.407 -5.923 2.344 310 HG21 ILE 40 1HG2 ILE 40 4.100 -9.033 0.348 311 HG22 ILE 40 2HG2 ILE 40 5.130 -9.778 1.617 312 HG23 ILE 40 3HG2 ILE 40 3.361 -9.610 1.880 313 HD11 ILE 40 3HD1 ILE 40 2.999 -7.408 -0.290 314 HD12 ILE 40 1HD1 ILE 40 2.280 -5.827 0.167 315 HD13 ILE 40 2HD1 ILE 40 4.057 -5.978 -0.045 316 H LYS 41 H LYS 41 2.603 -6.987 4.859 317 HA LYS 41 HA LYS 41 1.403 -9.670 5.059 318 HB2 LYS 41 2HB LYS 41 1.494 -7.483 7.194 319 HB3 LYS 41 3HB LYS 41 0.547 -8.973 7.303 320 HG2 LYS 41 2HG LYS 41 3.590 -8.923 7.010 321 HG3 LYS 41 3HG LYS 41 2.754 -8.980 8.567 322 HD2 LYS 41 2HD LYS 41 1.574 -11.088 7.811 323 HD3 LYS 41 3HD LYS 41 2.519 -11.047 6.317 324 HE2 LYS 41 2HE LYS 41 4.634 -11.150 7.657 325 HE3 LYS 41 3HE LYS 41 3.683 -11.205 9.147 326 HZ1 LYS 41 3HZ LYS 41 3.585 -13.218 6.991 327 HZ2 LYS 41 1HZ LYS 41 4.333 -13.395 8.432 328 HZ3 LYS 41 2HZ LYS 41 2.706 -13.269 8.367 329 H LYS 42 H LYS 42 -1.008 -9.625 5.290 330 HA LYS 42 HA LYS 42 -2.284 -7.675 3.705 331 HB2 LYS 42 2HB LYS 42 -3.328 -9.675 5.763 332 HB3 LYS 42 3HB LYS 42 -4.369 -8.693 4.723 333 HG2 LYS 42 2HG LYS 42 -3.310 -9.742 2.704 334 HG3 LYS 42 3HG LYS 42 -2.316 -10.750 3.764 335 HD2 LYS 42 2HD LYS 42 -4.386 -11.731 4.773 336 HD3 LYS 42 3HD LYS 42 -5.381 -10.721 3.717 337 HE2 LYS 42 2HE LYS 42 -4.337 -11.798 1.710 338 HE3 LYS 42 3HE LYS 42 -3.355 -12.816 2.772 339 HZ1 LYS 42 3HZ LYS 42 -6.304 -12.809 2.674 340 HZ2 LYS 42 1HZ LYS 42 -5.329 -13.952 2.036 341 HZ3 LYS 42 2HZ LYS 42 -5.397 -13.748 3.655 342 H ASP 43 H ASP 43 -4.514 -6.716 4.938 343 HA ASP 43 HA ASP 43 -3.636 -4.441 6.200 344 HB2 ASP 43 2HB ASP 43 -5.983 -4.122 6.850 345 HB3 ASP 43 3HB ASP 43 -5.857 -4.701 5.183 346 H ALA 44 H ALA 44 -3.729 -7.664 7.522 347 HA ALA 44 HA ALA 44 -4.205 -7.202 10.201 348 HB1 ALA 44 3HB ALA 44 -2.127 -9.006 8.865 349 HB2 ALA 44 1HB ALA 44 -2.698 -9.144 10.563 350 HB3 ALA 44 2HB ALA 44 -3.840 -9.425 9.205 351 H ALA 45 H ALA 45 -1.347 -6.254 8.217 352 HA ALA 45 HA ALA 45 -0.996 -4.150 10.097 353 HB1 ALA 45 3HB ALA 45 1.224 -6.237 9.841 354 HB2 ALA 45 1HB ALA 45 1.375 -4.639 10.647 355 HB3 ALA 45 2HB ALA 45 0.263 -5.881 11.315 356 H VAL 46 H VAL 46 -0.813 -2.455 8.695 357 HA VAL 46 HA VAL 46 1.320 -2.694 6.719 358 HB VAL 46 HB VAL 46 -1.480 -1.598 6.135 359 HG11 VAL 46 1HG1 VAL 46 -0.616 -1.213 3.848 360 HG12 VAL 46 2HG1 VAL 46 0.275 -0.246 5.072 361 HG13 VAL 46 3HG1 VAL 46 1.019 -1.729 4.384 362 HG21 VAL 46 3HG2 VAL 46 -1.388 -4.055 6.109 363 HG22 VAL 46 1HG2 VAL 46 -1.572 -3.405 4.445 364 HG23 VAL 46 2HG2 VAL 46 0.026 -4.003 5.004 365 H THR 47 H THR 47 2.690 -0.870 6.832 366 HA THR 47 HA THR 47 1.223 1.649 7.115 367 HB THR 47 HB THR 47 3.981 1.008 8.284 368 HG1 THR 47 HG1 THR 47 1.682 2.094 9.657 369 HG21 THR 47 3HG2 THR 47 2.447 3.650 8.161 370 HG22 THR 47 1HG2 THR 47 3.983 3.364 9.047 371 HG23 THR 47 2HG2 THR 47 3.946 3.250 7.255 372 H PHE 48 H PHE 48 2.048 3.393 5.745 373 HA PHE 48 HA PHE 48 4.003 2.605 3.737 374 HB2 PHE 48 2HB PHE 48 2.429 2.901 1.884 375 HB3 PHE 48 3HB PHE 48 1.910 1.575 2.932 376 HD1 PHE 48 HD1 PHE 48 -0.074 1.808 4.375 377 HD2 PHE 48 HD2 PHE 48 1.143 4.961 1.722 378 HE1 PHE 48 HE1 PHE 48 -2.295 2.871 4.618 379 HE2 PHE 48 HE2 PHE 48 -1.079 6.024 1.970 380 HZ PHE 48 HZ PHE 48 -2.801 4.982 3.417 381 H GLU 49 H GLU 49 4.320 4.469 2.100 382 HA GLU 49 HA GLU 49 3.617 7.036 3.378 383 HB2 GLU 49 2HB GLU 49 5.917 6.285 1.510 384 HB3 GLU 49 3HB GLU 49 5.550 7.931 2.043 385 HG2 GLU 49 2HG GLU 49 5.871 7.137 4.445 386 HG3 GLU 49 3HG GLU 49 6.426 5.588 3.797 387 HA PRO 50 HA PRO 50 1.049 7.579 -0.165 388 HB2 PRO 50 2HB PRO 50 0.234 10.164 0.366 389 HB3 PRO 50 3HB PRO 50 -0.304 8.829 1.394 390 HG2 PRO 50 2HG PRO 50 1.964 10.797 1.856 391 HG3 PRO 50 3HG PRO 50 0.719 10.253 2.989 392 HD2 PRO 50 2HD PRO 50 3.233 9.179 3.007 393 HD3 PRO 50 3HD PRO 50 1.813 8.211 3.426 394 H THR 51 H THR 51 0.970 8.419 -2.232 395 HA THR 51 HA THR 51 2.654 10.675 -2.827 396 HB THR 51 HB THR 51 4.246 8.751 -2.985 397 HG1 THR 51 HG1 THR 51 4.888 9.232 -5.208 398 HG21 THR 51 3HG2 THR 51 2.321 7.770 -5.150 399 HG22 THR 51 1HG2 THR 51 3.935 7.073 -4.782 400 HG23 THR 51 2HG2 THR 51 2.620 6.986 -3.562 401 H THR 52 H THR 52 2.400 11.274 -5.272 402 HA THR 52 HA THR 52 -0.271 10.436 -6.147 403 HB THR 52 HB THR 52 0.767 13.313 -5.947 404 HG1 THR 52 HG1 THR 52 -1.032 13.490 -4.428 405 HG21 THR 52 3HG2 THR 52 -1.903 12.198 -6.938 406 HG22 THR 52 1HG2 THR 52 -1.496 13.936 -6.738 407 HG23 THR 52 2HG2 THR 52 -0.623 12.944 -7.953 408 H ASN 53 H ASN 53 -0.374 9.997 -8.348 409 HA ASN 53 HA ASN 53 1.556 11.331 -10.083 410 HB2 ASN 53 2HB ASN 53 2.550 9.141 -9.386 411 HB3 ASN 53 3HB ASN 53 1.146 8.317 -10.076 412 HD21 ASN 53 1HD2 ASN 53 3.653 7.726 -10.912 413 HD22 ASN 53 2HD2 ASN 53 3.827 8.208 -12.567 414 H ASN 54 H ASN 54 0.103 12.451 -11.380 415 HA ASN 54 HA ASN 54 -1.554 12.815 -12.805 416 HB2 ASN 54 2HB ASN 54 -2.117 9.826 -12.719 417 HB3 ASN 54 3HB ASN 54 -2.801 10.990 -13.862 418 HD21 ASN 54 1HD2 ASN 54 -0.665 8.618 -13.635 419 HD22 ASN 54 2HD2 ASN 54 0.459 9.094 -14.864 420 H LYS 55 H LYS 55 -4.199 11.391 -12.852 421 HA LYS 55 HA LYS 55 -5.282 12.652 -10.487 422 HB2 LYS 55 2HB LYS 55 -6.540 11.146 -12.830 423 HB3 LYS 55 3HB LYS 55 -7.458 11.918 -11.530 424 HG2 LYS 55 2HG LYS 55 -6.463 14.133 -12.168 425 HG3 LYS 55 3HG LYS 55 -5.599 13.347 -13.496 426 HD2 LYS 55 2HD LYS 55 -7.807 12.569 -14.437 427 HD3 LYS 55 3HD LYS 55 -8.643 13.429 -13.137 428 HE2 LYS 55 2HE LYS 55 -7.545 15.575 -13.904 429 HE3 LYS 55 3HE LYS 55 -6.817 14.689 -15.250 430 HZ1 LYS 55 3HZ LYS 55 -9.714 14.966 -14.767 431 HZ2 LYS 55 1HZ LYS 55 -8.853 15.767 -15.900 432 HZ3 LYS 55 2HZ LYS 55 -9.041 14.149 -16.010 433 H GLY 56 H GLY 56 -3.645 9.830 -10.711 434 HA2 GLY 56 2HA GLY 56 -5.605 8.390 -9.023 435 HA3 GLY 56 3HA GLY 56 -4.371 7.624 -10.031 436 H LEU 57 H LEU 57 -5.073 8.056 -6.879 437 HA LEU 57 HA LEU 57 -2.509 8.990 -5.936 438 HB2 LEU 57 2HB LEU 57 -4.880 7.639 -4.555 439 HB3 LEU 57 3HB LEU 57 -3.454 8.272 -3.721 440 HG LEU 57 HG LEU 57 -5.420 9.946 -5.370 441 HD11 LEU 57 1HD1 LEU 57 -6.111 10.847 -3.180 442 HD12 LEU 57 2HD1 LEU 57 -6.412 9.079 -3.291 443 HD13 LEU 57 3HD1 LEU 57 -5.007 9.694 -2.355 444 HD21 LEU 57 3HD2 LEU 57 -3.114 10.826 -5.402 445 HD22 LEU 57 1HD2 LEU 57 -4.188 11.861 -4.401 446 HD23 LEU 57 2HD2 LEU 57 -3.044 10.725 -3.610 447 H SER 58 H SER 58 -0.841 7.727 -4.979 448 HA SER 58 HA SER 58 -1.177 4.811 -5.181 449 HB2 SER 58 2HB SER 58 0.003 5.595 -7.211 450 HB3 SER 58 3HB SER 58 1.184 6.448 -6.210 451 HG SER 58 HG SER 58 0.959 3.737 -6.817 452 H ALA 59 H ALA 59 0.640 3.649 -3.931 453 HA ALA 59 HA ALA 59 1.653 5.351 -1.749 454 HB1 ALA 59 3HB ALA 59 0.368 2.585 -1.522 455 HB2 ALA 59 1HB ALA 59 1.168 3.482 -0.188 456 HB3 ALA 59 2HB ALA 59 -0.329 4.134 -0.936 457 H TYR 60 H TYR 60 3.690 4.696 -0.848 458 HA TYR 60 HA TYR 60 5.035 2.483 -2.202 459 HB2 TYR 60 2HB TYR 60 6.837 3.807 -3.010 460 HB3 TYR 60 3HB TYR 60 5.365 4.624 -3.553 461 HD1 TYR 60 HD1 TYR 60 4.521 6.633 -2.171 462 HD2 TYR 60 HD2 TYR 60 8.447 4.959 -1.712 463 HE1 TYR 60 HE1 TYR 60 5.288 8.731 -1.105 464 HE2 TYR 60 HE2 TYR 60 9.220 7.052 -0.641 465 HH TYR 60 HH TYR 60 7.018 9.513 0.401 466 H ALA 61 H ALA 61 7.452 2.401 -1.232 467 HA ALA 61 HA ALA 61 8.652 1.922 0.573 468 HB1 ALA 61 3HB ALA 61 7.339 4.474 1.627 469 HB2 ALA 61 1HB ALA 61 8.790 3.677 2.323 470 HB3 ALA 61 2HB ALA 61 8.854 4.373 0.669 471 H VAL 62 H VAL 62 6.631 0.174 0.556 472 HA VAL 62 HA VAL 62 4.849 0.543 2.765 473 HB VAL 62 HB VAL 62 5.364 -1.835 0.906 474 HG11 VAL 62 1HG1 VAL 62 3.202 -2.703 1.739 475 HG12 VAL 62 2HG1 VAL 62 4.423 -2.578 3.050 476 HG13 VAL 62 3HG1 VAL 62 3.119 -1.351 2.918 477 HG21 VAL 62 3HG2 VAL 62 4.495 0.154 -0.247 478 HG22 VAL 62 1HG2 VAL 62 3.243 -1.130 -0.158 479 HG23 VAL 62 2HG2 VAL 62 3.162 0.281 0.950 480 H LYS 63 H LYS 63 4.963 -0.397 4.830 481 HA LYS 63 HA LYS 63 7.249 -2.160 5.347 482 HB2 LYS 63 2HB LYS 63 6.651 0.494 6.737 483 HB3 LYS 63 3HB LYS 63 7.763 -0.728 7.369 484 HG2 LYS 63 2HG LYS 63 9.144 -0.511 5.274 485 HG3 LYS 63 3HG LYS 63 8.055 0.765 4.714 486 HD2 LYS 63 2HD LYS 63 8.582 2.104 6.773 487 HD3 LYS 63 3HD LYS 63 9.689 0.834 7.308 488 HE2 LYS 63 2HE LYS 63 11.053 1.141 5.239 489 HE3 LYS 63 3HE LYS 63 9.939 2.398 4.685 490 HZ1 LYS 63 3HZ LYS 63 11.555 2.523 7.151 491 HZ2 LYS 63 1HZ LYS 63 11.860 3.332 5.765 492 HZ3 LYS 63 2HZ LYS 63 10.526 3.684 6.639 493 H VAL 64 H VAL 64 6.847 -3.704 6.947 494 HA VAL 64 HA VAL 64 4.196 -3.514 8.186 495 HB VAL 64 HB VAL 64 6.043 -5.908 7.702 496 HG11 VAL 64 1HG1 VAL 64 4.169 -7.277 8.567 497 HG12 VAL 64 2HG1 VAL 64 4.809 -6.156 9.815 498 HG13 VAL 64 3HG1 VAL 64 3.268 -5.777 8.974 499 HG21 VAL 64 3HG2 VAL 64 4.934 -5.082 5.670 500 HG22 VAL 64 1HG2 VAL 64 4.241 -6.659 6.181 501 HG23 VAL 64 2HG2 VAL 64 3.343 -5.137 6.501 502 H VAL 65 H VAL 65 3.992 -3.439 10.438 503 HA VAL 65 HA VAL 65 6.222 -2.648 11.913 504 HB VAL 65 HB VAL 65 4.721 -2.854 13.880 505 HG11 VAL 65 1HG1 VAL 65 2.932 -1.333 13.094 506 HG12 VAL 65 2HG1 VAL 65 4.537 -0.879 12.426 507 HG13 VAL 65 3HG1 VAL 65 3.344 -1.736 11.393 508 HG21 VAL 65 3HG2 VAL 65 3.628 -4.976 13.292 509 HG22 VAL 65 1HG2 VAL 65 2.409 -3.692 13.592 510 HG23 VAL 65 2HG2 VAL 65 2.801 -4.182 11.910 511 HA PRO 66 HA PRO 66 8.186 -6.363 13.330 512 HB2 PRO 66 2HB PRO 66 7.984 -5.118 16.108 513 HB3 PRO 66 3HB PRO 66 9.425 -5.717 15.276 514 HG2 PRO 66 2HG PRO 66 9.037 -3.089 15.473 515 HG3 PRO 66 3HG PRO 66 9.645 -3.761 13.955 516 HD2 PRO 66 2HD PRO 66 6.829 -2.827 14.633 517 HD3 PRO 66 3HD PRO 66 7.742 -2.603 13.135 518 H LEU 67 H LEU 67 7.199 -8.256 13.380 519 HA LEU 67 HA LEU 67 5.121 -8.579 15.457 520 HB2 LEU 67 2HB LEU 67 5.490 -9.994 12.770 521 HB3 LEU 67 3HB LEU 67 4.272 -10.419 13.980 522 HG LEU 67 HG LEU 67 4.440 -7.698 12.579 523 HD11 LEU 67 1HD1 LEU 67 2.472 -8.475 11.311 524 HD12 LEU 67 2HD1 LEU 67 3.908 -9.508 10.997 525 HD13 LEU 67 3HD1 LEU 67 2.605 -10.089 12.088 526 HD21 LEU 67 3HD2 LEU 67 3.411 -7.640 14.825 527 HD22 LEU 67 1HD2 LEU 67 2.179 -7.395 13.541 528 HD23 LEU 67 2HD2 LEU 67 2.315 -8.986 14.364 529 H GLU 68 H GLU 68 8.115 -8.841 15.808 530 HA GLU 68 HA GLU 68 8.621 -11.684 15.535 531 HB2 GLU 68 2HB GLU 68 10.301 -9.950 14.897 532 HB3 GLU 68 3HB GLU 68 10.344 -9.380 16.570 533 HG2 GLU 68 2HG GLU 68 11.182 -11.622 17.302 534 HG3 GLU 68 3HG GLU 68 11.159 -12.172 15.622 535 H HIS 69 H HIS 69 7.734 -12.993 17.111 536 HA HIS 69 HA HIS 69 7.381 -12.046 19.790 537 HB2 HIS 69 2HB HIS 69 6.565 -14.312 20.217 538 HB3 HIS 69 3HB HIS 69 5.844 -13.671 18.734 539 HD2 HIS 69 HD2 HIS 69 7.949 -16.694 19.909 540 HE1 HIS 69 HE1 HIS 69 7.802 -16.830 15.631 541 H HIS 70 H HIS 70 10.115 -13.227 18.025 542 HA HIS 70 HA HIS 70 11.334 -14.627 20.216 543 HB2 HIS 70 2HB HIS 70 12.414 -13.528 17.575 544 HB3 HIS 70 3HB HIS 70 13.369 -14.478 18.720 545 HD2 HIS 70 HD2 HIS 70 10.902 -15.027 15.813 546 HE1 HIS 70 HE1 HIS 70 11.442 -18.815 17.731 547 H HIS 71 H HIS 71 13.082 -13.896 21.556 548 HA HIS 71 HA HIS 71 13.487 -10.975 21.501 549 HB2 HIS 71 2HB HIS 71 13.216 -12.799 23.943 550 HB3 HIS 71 3HB HIS 71 13.628 -11.080 23.987 551 HD2 HIS 71 HD2 HIS 71 10.502 -13.343 23.869 552 HE1 HIS 71 HE1 HIS 71 9.177 -9.320 23.255 553 H HIS 72 H HIS 72 15.619 -10.235 22.062 554 HA HIS 72 HA HIS 72 17.623 -12.389 22.218 555 HB2 HIS 72 2HB HIS 72 17.753 -9.884 20.465 556 HB3 HIS 72 3HB HIS 72 19.037 -11.086 20.653 557 HD2 HIS 72 HD2 HIS 72 15.899 -10.477 18.500 558 HE1 HIS 72 HE1 HIS 72 17.163 -14.499 17.768 559 H HIS 73 H HIS 73 17.756 -11.933 24.545 560 HA HIS 73 HA HIS 73 19.066 -9.345 25.082 561 HB2 HIS 73 2HB HIS 73 17.099 -10.870 26.860 562 HB3 HIS 73 3HB HIS 73 17.974 -9.404 27.318 563 HD2 HIS 73 HD2 HIS 73 14.636 -10.360 25.776 564 HE1 HIS 73 HE1 HIS 73 15.313 -6.277 24.683 565 H HIS 74 H HIS 74 20.598 -11.604 24.348 566 HA HIS 74 HA HIS 74 22.302 -12.848 25.024 567 HB2 HIS 74 2HB HIS 74 22.135 -11.130 27.551 568 HB3 HIS 74 3HB HIS 74 23.503 -12.154 27.093 569 HD2 HIS 74 HD2 HIS 74 22.071 -8.621 26.336 570 HE1 HIS 74 HE1 HIS 74 25.479 -9.212 23.814 Start of MODEL 7 1 H1 MET 1 1H MET 1 8.360 11.739 9.526 2 H2 MET 1 2H MET 1 7.894 10.217 9.891 3 H3 MET 1 3H MET 1 8.621 10.528 8.462 4 HA MET 1 HA MET 1 6.013 11.506 9.330 5 HB2 MET 1 2HB MET 1 7.231 13.120 7.907 6 HB3 MET 1 3HB MET 1 7.534 11.860 6.704 7 HG2 MET 1 2HG MET 1 5.138 11.669 6.222 8 HG3 MET 1 3HG MET 1 4.745 12.795 7.528 9 HE1 MET 1 3HE MET 1 3.291 13.633 5.654 10 HE2 MET 1 1HE MET 1 3.781 15.009 4.610 11 HE3 MET 1 2HE MET 1 3.990 13.322 4.029 12 H ALA 2 H ALA 2 4.688 9.723 9.462 13 HA ALA 2 HA ALA 2 4.383 8.146 7.058 14 HB1 ALA 2 3HB ALA 2 5.222 6.873 9.711 15 HB2 ALA 2 1HB ALA 2 4.658 5.987 8.254 16 HB3 ALA 2 2HB ALA 2 6.191 6.920 8.199 17 H MET 3 H MET 3 2.380 6.846 7.101 18 HA MET 3 HA MET 3 0.601 7.576 9.337 19 HB2 MET 3 2HB MET 3 -1.217 7.865 7.715 20 HB3 MET 3 3HB MET 3 0.090 9.019 7.419 21 HG2 MET 3 2HG MET 3 0.936 7.574 5.566 22 HG3 MET 3 3HG MET 3 -0.389 6.439 5.854 23 HE1 MET 3 3HE MET 3 -3.028 8.413 6.337 24 HE2 MET 3 1HE MET 3 -3.541 8.212 4.628 25 HE3 MET 3 2HE MET 3 -2.788 6.839 5.507 26 H ASN 4 H ASN 4 -1.349 6.071 9.475 27 HA ASN 4 HA ASN 4 -0.451 3.364 8.800 28 HB2 ASN 4 2HB ASN 4 -2.454 4.437 10.816 29 HB3 ASN 4 3HB ASN 4 -2.276 2.718 10.440 30 HD21 ASN 4 1HD2 ASN 4 -1.889 3.998 12.952 31 HD22 ASN 4 2HD2 ASN 4 -0.265 3.640 13.437 32 H GLY 5 H GLY 5 -2.045 1.786 7.937 33 HA2 GLY 5 2HA GLY 5 -4.497 2.838 6.837 34 HA3 GLY 5 3HA GLY 5 -3.221 2.592 5.637 35 H THR 6 H THR 6 -5.152 1.029 4.933 36 HA THR 6 HA THR 6 -4.393 -1.587 6.011 37 HB THR 6 HB THR 6 -6.749 -2.347 5.696 38 HG1 THR 6 HG1 THR 6 -8.382 -0.659 5.420 39 HG21 THR 6 3HG2 THR 6 -6.452 0.083 7.529 40 HG22 THR 6 1HG2 THR 6 -7.715 -1.187 7.661 41 HG23 THR 6 2HG2 THR 6 -5.989 -1.606 7.924 42 H ILE 7 H ILE 7 -4.075 -3.211 4.416 43 HA ILE 7 HA ILE 7 -4.561 -2.424 1.661 44 HB ILE 7 HB ILE 7 -3.265 -4.871 2.962 45 HG12 ILE 7 2HG1 ILE 7 -2.087 -2.731 1.132 46 HG13 ILE 7 3HG1 ILE 7 -2.043 -2.635 2.897 47 HG21 ILE 7 1HG2 ILE 7 -2.690 -5.601 0.669 48 HG22 ILE 7 2HG2 ILE 7 -4.466 -5.573 0.935 49 HG23 ILE 7 3HG2 ILE 7 -3.678 -4.259 -0.001 50 HD11 ILE 7 3HD1 ILE 7 -0.811 -4.852 1.202 51 HD12 ILE 7 1HD1 ILE 7 0.069 -3.508 2.006 52 HD13 ILE 7 2HD1 ILE 7 -0.766 -4.754 2.994 53 H THR 8 H THR 8 -6.427 -2.980 0.568 54 HA THR 8 HA THR 8 -8.277 -4.677 2.053 55 HB THR 8 HB THR 8 -10.001 -3.704 0.563 56 HG1 THR 8 HG1 THR 8 -9.320 -1.978 -0.901 57 HG21 THR 8 3HG2 THR 8 -8.127 -1.613 1.775 58 HG22 THR 8 1HG2 THR 8 -9.853 -1.359 1.350 59 HG23 THR 8 2HG2 THR 8 -9.409 -2.520 2.646 60 H THR 9 H THR 9 -6.293 -4.607 -0.897 61 HA THR 9 HA THR 9 -7.271 -7.311 -1.410 62 HB THR 9 HB THR 9 -6.853 -5.149 -3.540 63 HG1 THR 9 HG1 THR 9 -9.135 -5.615 -3.947 64 HG21 THR 9 3HG2 THR 9 -7.563 -8.112 -3.814 65 HG22 THR 9 1HG2 THR 9 -7.519 -6.913 -5.150 66 HG23 THR 9 2HG2 THR 9 -6.007 -7.347 -4.283 67 H TRP 10 H TRP 10 -5.578 -8.760 -1.682 68 HA TRP 10 HA TRP 10 -2.968 -7.616 -2.434 69 HB2 TRP 10 2HB TRP 10 -3.085 -8.030 0.035 70 HB3 TRP 10 3HB TRP 10 -3.516 -9.717 -0.276 71 HD1 TRP 10 HD1 TRP 10 -0.912 -8.430 -2.696 72 HE1 TRP 10 HE1 TRP 10 1.415 -9.364 -2.063 73 HE3 TRP 10 HE3 TRP 10 -2.053 -10.361 1.927 74 HZ2 TRP 10 HZ2 TRP 10 2.611 -10.727 0.090 75 HZ3 TRP 10 HZ3 TRP 10 -0.248 -11.476 3.230 76 HH2 TRP 10 HH2 TRP 10 2.025 -11.657 2.341 77 H PHE 11 H PHE 11 -2.564 -8.452 -4.455 78 HA PHE 11 HA PHE 11 -3.169 -11.316 -4.826 79 HB2 PHE 11 2HB PHE 11 -2.937 -8.990 -6.789 80 HB3 PHE 11 3HB PHE 11 -2.957 -10.684 -7.297 81 HD1 PHE 11 HD1 PHE 11 -4.963 -11.301 -4.810 82 HD2 PHE 11 HD2 PHE 11 -4.968 -8.654 -8.193 83 HE1 PHE 11 HE1 PHE 11 -7.439 -11.275 -4.788 84 HE2 PHE 11 HE2 PHE 11 -7.444 -8.629 -8.169 85 HZ PHE 11 HZ PHE 11 -8.683 -9.942 -6.467 86 H LYS 12 H LYS 12 -1.184 -12.071 -3.828 87 HA LYS 12 HA LYS 12 1.323 -10.950 -4.380 88 HB2 LYS 12 2HB LYS 12 0.789 -12.425 -2.452 89 HB3 LYS 12 3HB LYS 12 0.540 -13.788 -3.552 90 HG2 LYS 12 2HG LYS 12 2.917 -13.705 -4.240 91 HG3 LYS 12 3HG LYS 12 3.185 -12.285 -3.220 92 HD2 LYS 12 2HD LYS 12 2.573 -13.607 -1.195 93 HD3 LYS 12 3HD LYS 12 2.263 -15.026 -2.204 94 HE2 LYS 12 2HE LYS 12 4.649 -14.982 -2.983 95 HE3 LYS 12 3HE LYS 12 4.953 -13.577 -1.954 96 HZ1 LYS 12 3HZ LYS 12 4.099 -16.233 -0.997 97 HZ2 LYS 12 1HZ LYS 12 5.606 -15.615 -0.884 98 HZ3 LYS 12 2HZ LYS 12 4.380 -14.936 -0.046 99 H ASP 13 H ASP 13 -0.563 -13.561 -6.043 100 HA ASP 13 HA ASP 13 1.594 -14.453 -7.629 101 HB2 ASP 13 2HB ASP 13 -1.440 -14.606 -7.884 102 HB3 ASP 13 3HB ASP 13 -0.354 -15.327 -9.079 103 H LYS 14 H LYS 14 -0.571 -11.640 -7.851 104 HA LYS 14 HA LYS 14 0.279 -11.206 -10.628 105 HB2 LYS 14 2HB LYS 14 -1.778 -9.757 -8.893 106 HB3 LYS 14 3HB LYS 14 -1.447 -9.428 -10.599 107 HG2 LYS 14 2HG LYS 14 -2.529 -12.066 -9.489 108 HG3 LYS 14 3HG LYS 14 -3.500 -10.803 -10.257 109 HD2 LYS 14 2HD LYS 14 -2.111 -11.048 -12.351 110 HD3 LYS 14 3HD LYS 14 -1.212 -12.360 -11.578 111 HE2 LYS 14 2HE LYS 14 -3.370 -13.626 -11.272 112 HE3 LYS 14 3HE LYS 14 -4.229 -12.329 -12.114 113 HZ1 LYS 14 3HZ LYS 14 -2.070 -13.971 -13.273 114 HZ2 LYS 14 1HZ LYS 14 -3.664 -14.122 -13.594 115 HZ3 LYS 14 2HZ LYS 14 -2.863 -12.774 -14.050 116 H GLY 15 H GLY 15 1.117 -10.333 -7.357 117 HA2 GLY 15 2HA GLY 15 2.634 -8.849 -6.598 118 HA3 GLY 15 3HA GLY 15 2.987 -8.371 -8.264 119 H PHE 16 H PHE 16 -0.384 -8.270 -7.059 120 HA PHE 16 HA PHE 16 -0.211 -5.339 -7.324 121 HB2 PHE 16 2HB PHE 16 -2.532 -7.289 -7.724 122 HB3 PHE 16 3HB PHE 16 -2.677 -5.528 -7.798 123 HD1 PHE 16 HD1 PHE 16 0.357 -5.597 -9.110 124 HD2 PHE 16 HD2 PHE 16 -3.511 -7.204 -10.065 125 HE1 PHE 16 HE1 PHE 16 0.970 -5.647 -11.507 126 HE2 PHE 16 HE2 PHE 16 -2.896 -7.255 -12.461 127 HZ PHE 16 HZ PHE 16 -0.655 -6.477 -13.188 128 H GLY 17 H GLY 17 -1.016 -3.991 -5.668 129 HA2 GLY 17 2HA GLY 17 -2.662 -5.318 -3.619 130 HA3 GLY 17 3HA GLY 17 -1.245 -4.383 -3.122 131 H PHE 18 H PHE 18 -4.040 -3.798 -2.407 132 HA PHE 18 HA PHE 18 -4.088 -1.076 -3.520 133 HB2 PHE 18 2HB PHE 18 -6.461 -2.962 -3.123 134 HB3 PHE 18 3HB PHE 18 -6.614 -1.221 -3.395 135 HD1 PHE 18 HD1 PHE 18 -5.653 -4.453 -4.917 136 HD2 PHE 18 HD2 PHE 18 -6.203 -0.246 -5.582 137 HE1 PHE 18 HE1 PHE 18 -5.576 -4.828 -7.363 138 HE2 PHE 18 HE2 PHE 18 -6.132 -0.623 -8.027 139 HZ PHE 18 HZ PHE 18 -5.813 -2.915 -8.922 140 H ILE 19 H ILE 19 -4.649 0.561 -2.006 141 HA ILE 19 HA ILE 19 -4.830 -0.440 0.750 142 HB ILE 19 HB ILE 19 -3.041 1.764 -0.389 143 HG12 ILE 19 2HG1 ILE 19 -2.385 -0.740 1.232 144 HG13 ILE 19 3HG1 ILE 19 -2.260 -0.627 -0.528 145 HG21 ILE 19 1HG2 ILE 19 -2.349 2.193 1.948 146 HG22 ILE 19 2HG2 ILE 19 -4.090 2.551 1.689 147 HG23 ILE 19 3HG2 ILE 19 -3.598 1.039 2.525 148 HD11 ILE 19 3HD1 ILE 19 -0.708 1.066 1.481 149 HD12 ILE 19 1HD1 ILE 19 -0.070 -0.321 0.536 150 HD13 ILE 19 2HD1 ILE 19 -0.580 1.181 -0.307 151 H LYS 20 H LYS 20 -6.244 0.697 2.125 152 HA LYS 20 HA LYS 20 -7.634 2.986 0.902 153 HB2 LYS 20 2HB LYS 20 -9.006 1.043 1.646 154 HB3 LYS 20 3HB LYS 20 -8.355 1.209 3.282 155 HG2 LYS 20 2HG LYS 20 -9.367 3.494 3.442 156 HG3 LYS 20 3HG LYS 20 -10.036 3.304 1.816 157 HD2 LYS 20 2HD LYS 20 -11.325 1.301 2.574 158 HD3 LYS 20 3HD LYS 20 -10.644 1.471 4.198 159 HE2 LYS 20 2HE LYS 20 -11.677 3.733 4.407 160 HE3 LYS 20 3HE LYS 20 -12.337 3.592 2.772 161 HZ1 LYS 20 3HZ LYS 20 -13.001 1.816 5.033 162 HZ2 LYS 20 1HZ LYS 20 -13.955 2.998 4.433 163 HZ3 LYS 20 2HZ LYS 20 -13.610 1.686 3.524 164 H ASP 21 H ASP 21 -7.434 5.045 1.765 165 HA ASP 21 HA ASP 21 -5.252 5.318 3.647 166 HB2 ASP 21 2HB ASP 21 -6.919 7.262 1.986 167 HB3 ASP 21 3HB ASP 21 -5.695 7.800 3.143 168 H GLU 22 H GLU 22 -5.383 6.554 5.681 169 HA GLU 22 HA GLU 22 -7.706 6.676 7.168 170 HB2 GLU 22 2HB GLU 22 -5.333 8.595 7.021 171 HB3 GLU 22 3HB GLU 22 -6.573 8.645 8.281 172 HG2 GLU 22 2HG GLU 22 -5.950 6.388 9.046 173 HG3 GLU 22 3HG GLU 22 -4.793 6.222 7.719 174 H ASN 23 H ASN 23 -6.891 8.444 4.233 175 HA ASN 23 HA ASN 23 -8.862 10.504 4.804 176 HB2 ASN 23 2HB ASN 23 -7.039 9.945 2.440 177 HB3 ASN 23 3HB ASN 23 -8.255 11.229 2.450 178 HD21 ASN 23 1HD2 ASN 23 -5.440 11.506 2.163 179 HD22 ASN 23 2HD2 ASN 23 -4.921 12.552 3.441 180 H GLY 24 H GLY 24 -8.780 7.269 3.494 181 HA2 GLY 24 2HA GLY 24 -10.788 6.136 3.259 182 HA3 GLY 24 3HA GLY 24 -11.621 7.654 2.903 183 H ASP 25 H ASP 25 -8.757 7.742 1.091 184 HA ASP 25 HA ASP 25 -10.207 6.928 -1.297 185 HB2 ASP 25 2HB ASP 25 -7.539 8.316 -0.774 186 HB3 ASP 25 3HB ASP 25 -8.058 7.819 -2.390 187 H ASN 26 H ASN 26 -9.572 5.233 -2.704 188 HA ASN 26 HA ASN 26 -7.706 3.330 -1.500 189 HB2 ASN 26 2HB ASN 26 -9.717 3.075 -3.767 190 HB3 ASN 26 3HB ASN 26 -8.608 1.792 -3.265 191 HD21 ASN 26 1HD2 ASN 26 -11.661 2.897 -2.994 192 HD22 ASN 26 2HD2 ASN 26 -12.123 2.098 -1.529 193 H ARG 27 H ARG 27 -5.718 2.822 -2.423 194 HA ARG 27 HA ARG 27 -5.154 4.040 -5.034 195 HB2 ARG 27 2HB ARG 27 -3.000 4.821 -4.274 196 HB3 ARG 27 3HB ARG 27 -4.321 5.597 -3.391 197 HG2 ARG 27 2HG ARG 27 -3.932 4.006 -1.488 198 HG3 ARG 27 3HG ARG 27 -2.554 3.332 -2.368 199 HD2 ARG 27 2HD ARG 27 -1.825 4.906 -0.697 200 HD3 ARG 27 3HD ARG 27 -1.425 5.477 -2.323 201 HE ARG 27 HE ARG 27 -3.565 6.583 -0.584 202 HH11 ARG 27 1HH1 ARG 27 -1.360 6.920 -3.299 203 HH12 ARG 27 2HH1 ARG 27 -1.754 8.587 -3.560 204 HH21 ARG 27 1HH2 ARG 27 -4.054 8.719 -0.924 205 HH22 ARG 27 2HH2 ARG 27 -3.301 9.621 -2.196 206 H TYR 28 H TYR 28 -3.487 2.960 -6.279 207 HA TYR 28 HA TYR 28 -3.308 0.145 -5.506 208 HB2 TYR 28 2HB TYR 28 -4.185 0.436 -7.694 209 HB3 TYR 28 3HB TYR 28 -3.034 1.717 -8.092 210 HD1 TYR 28 HD1 TYR 28 -3.280 -1.958 -7.400 211 HD2 TYR 28 HD2 TYR 28 -0.976 1.211 -9.153 212 HE1 TYR 28 HE1 TYR 28 -1.786 -3.630 -8.449 213 HE2 TYR 28 HE2 TYR 28 0.521 -0.456 -10.206 214 HH TYR 28 HH TYR 28 -0.241 -3.885 -10.198 215 H PHE 29 H PHE 29 -1.312 -0.984 -5.320 216 HA PHE 29 HA PHE 29 1.102 0.527 -6.023 217 HB2 PHE 29 2HB PHE 29 2.217 -0.042 -3.985 218 HB3 PHE 29 3HB PHE 29 0.681 0.706 -3.531 219 HD1 PHE 29 HD1 PHE 29 2.571 -2.471 -3.697 220 HD2 PHE 29 HD2 PHE 29 -1.066 -0.567 -2.432 221 HE1 PHE 29 HE1 PHE 29 2.012 -4.451 -2.319 222 HE2 PHE 29 HE2 PHE 29 -1.622 -2.545 -1.053 223 HZ PHE 29 HZ PHE 29 -0.084 -4.492 -0.996 224 H HIS 30 H HIS 30 2.978 -0.900 -6.478 225 HA HIS 30 HA HIS 30 2.156 -3.691 -6.950 226 HB2 HIS 30 2HB HIS 30 3.008 -2.119 -8.866 227 HB3 HIS 30 3HB HIS 30 4.601 -2.310 -8.121 228 HD2 HIS 30 HD2 HIS 30 2.263 -4.193 -10.530 229 HE1 HIS 30 HE1 HIS 30 5.378 -6.915 -9.427 230 H VAL 31 H VAL 31 3.504 -5.411 -6.188 231 HA VAL 31 HA VAL 31 4.767 -4.954 -3.762 232 HB VAL 31 HB VAL 31 5.650 -7.276 -4.037 233 HG11 VAL 31 1HG1 VAL 31 3.455 -8.402 -4.249 234 HG12 VAL 31 2HG1 VAL 31 3.351 -6.919 -3.242 235 HG13 VAL 31 3HG1 VAL 31 2.755 -6.897 -4.936 236 HG21 VAL 31 3HG2 VAL 31 6.199 -7.181 -6.431 237 HG22 VAL 31 1HG2 VAL 31 5.094 -8.553 -6.083 238 HG23 VAL 31 2HG2 VAL 31 4.454 -7.054 -6.839 239 H ILE 32 H ILE 32 5.982 -4.660 -7.096 240 HA ILE 32 HA ILE 32 8.723 -4.805 -6.435 241 HB ILE 32 HB ILE 32 7.154 -3.536 -8.727 242 HG12 ILE 32 2HG1 ILE 32 9.083 -5.903 -8.653 243 HG13 ILE 32 3HG1 ILE 32 7.328 -6.055 -8.490 244 HG21 ILE 32 1HG2 ILE 32 9.321 -3.176 -9.864 245 HG22 ILE 32 2HG2 ILE 32 9.180 -2.194 -8.367 246 HG23 ILE 32 3HG2 ILE 32 10.183 -3.683 -8.373 247 HD11 ILE 32 3HD1 ILE 32 8.800 -4.894 -10.898 248 HD12 ILE 32 1HD1 ILE 32 8.046 -6.521 -10.789 249 HD13 ILE 32 2HD1 ILE 32 7.018 -5.049 -10.732 250 H LYS 33 H LYS 33 6.227 -2.294 -6.055 251 HA LYS 33 HA LYS 33 8.259 -0.220 -5.739 252 HB2 LYS 33 2HB LYS 33 5.206 -0.135 -5.602 253 HB3 LYS 33 3HB LYS 33 6.280 1.268 -5.517 254 HG2 LYS 33 2HG LYS 33 6.016 -0.618 -7.912 255 HG3 LYS 33 3HG LYS 33 5.267 0.978 -7.772 256 HD2 LYS 33 2HD LYS 33 7.536 2.018 -7.548 257 HD3 LYS 33 3HD LYS 33 8.281 0.421 -7.700 258 HE2 LYS 33 2HE LYS 33 7.165 0.166 -9.960 259 HE3 LYS 33 3HE LYS 33 6.549 1.817 -9.807 260 HZ1 LYS 33 3HZ LYS 33 9.402 1.059 -9.816 261 HZ2 LYS 33 1HZ LYS 33 8.591 1.746 -11.056 262 HZ3 LYS 33 2HZ LYS 33 8.834 2.583 -9.675 263 H VAL 34 H VAL 34 7.337 -2.694 -3.802 264 HA VAL 34 HA VAL 34 6.881 -1.025 -1.444 265 HB VAL 34 HB VAL 34 6.647 -4.041 -1.899 266 HG11 VAL 34 1HG1 VAL 34 5.687 -4.117 0.382 267 HG12 VAL 34 2HG1 VAL 34 7.395 -3.559 0.392 268 HG13 VAL 34 3HG1 VAL 34 6.061 -2.373 0.591 269 HG21 VAL 34 3HG2 VAL 34 4.860 -2.728 -2.961 270 HG22 VAL 34 1HG2 VAL 34 4.229 -3.639 -1.547 271 HG23 VAL 34 2HG2 VAL 34 4.547 -1.876 -1.411 272 H ALA 35 H ALA 35 8.374 -0.937 0.277 273 HA ALA 35 HA ALA 35 11.059 -1.459 -0.423 274 HB1 ALA 35 3HB ALA 35 9.755 -0.779 2.258 275 HB2 ALA 35 1HB ALA 35 11.513 -0.700 1.897 276 HB3 ALA 35 2HB ALA 35 10.370 0.393 1.045 277 H ASN 36 H ASN 36 8.711 -3.165 1.776 278 HA ASN 36 HA ASN 36 10.618 -5.409 1.721 279 HB2 ASN 36 2HB ASN 36 8.809 -4.549 4.012 280 HB3 ASN 36 3HB ASN 36 9.760 -6.039 3.963 281 HD21 ASN 36 1HD2 ASN 36 9.685 -2.847 4.907 282 HD22 ASN 36 2HD2 ASN 36 11.358 -2.662 5.315 283 HA PRO 37 HA PRO 37 6.531 -6.691 -0.087 284 HB2 PRO 37 2HB PRO 37 7.687 -7.980 -2.281 285 HB3 PRO 37 3HB PRO 37 7.336 -6.247 -2.325 286 HG2 PRO 37 2HG PRO 37 9.959 -7.650 -1.738 287 HG3 PRO 37 3HG PRO 37 9.656 -6.240 -2.762 288 HD2 PRO 37 2HD PRO 37 10.639 -5.968 -0.232 289 HD3 PRO 37 3HD PRO 37 9.551 -4.758 -0.924 290 H ASP 38 H ASP 38 9.533 -8.336 0.832 291 HA ASP 38 HA ASP 38 8.311 -10.913 0.928 292 HB2 ASP 38 2HB ASP 38 10.745 -9.634 2.248 293 HB3 ASP 38 3HB ASP 38 10.256 -11.301 2.581 294 H LEU 39 H LEU 39 8.450 -8.058 3.123 295 HA LEU 39 HA LEU 39 7.386 -9.714 5.300 296 HB2 LEU 39 2HB LEU 39 8.472 -6.857 5.228 297 HB3 LEU 39 3HB LEU 39 7.907 -7.697 6.678 298 HG LEU 39 HG LEU 39 10.292 -8.559 4.956 299 HD11 LEU 39 1HD1 LEU 39 11.636 -7.824 6.888 300 HD12 LEU 39 2HD1 LEU 39 10.699 -6.464 6.182 301 HD13 LEU 39 3HD1 LEU 39 10.147 -7.240 7.705 302 HD21 LEU 39 3HD2 LEU 39 9.125 -10.450 6.034 303 HD22 LEU 39 1HD2 LEU 39 10.716 -10.143 6.809 304 HD23 LEU 39 2HD2 LEU 39 9.205 -9.604 7.616 305 H ILE 40 H ILE 40 6.156 -7.950 2.706 306 HA ILE 40 HA ILE 40 4.272 -6.306 3.958 307 HB ILE 40 HB ILE 40 5.003 -6.321 1.497 308 HG12 ILE 40 2HG1 ILE 40 1.987 -6.386 1.978 309 HG13 ILE 40 3HG1 ILE 40 3.033 -5.054 2.489 310 HG21 ILE 40 1HG2 ILE 40 3.706 -7.766 -0.032 311 HG22 ILE 40 2HG2 ILE 40 4.734 -8.727 1.084 312 HG23 ILE 40 3HG2 ILE 40 2.968 -8.594 1.381 313 HD11 ILE 40 3HD1 ILE 40 2.644 -6.014 -0.383 314 HD12 ILE 40 1HD1 ILE 40 1.927 -4.543 0.358 315 HD13 ILE 40 2HD1 ILE 40 3.705 -4.661 0.136 316 H LYS 41 H LYS 41 2.112 -6.648 4.633 317 HA LYS 41 HA LYS 41 1.139 -9.414 4.509 318 HB2 LYS 41 2HB LYS 41 1.509 -7.726 7.029 319 HB3 LYS 41 3HB LYS 41 0.518 -9.189 6.955 320 HG2 LYS 41 2HG LYS 41 2.558 -10.499 6.273 321 HG3 LYS 41 3HG LYS 41 3.529 -9.031 6.444 322 HD2 LYS 41 2HD LYS 41 2.852 -8.858 8.846 323 HD3 LYS 41 3HD LYS 41 1.872 -10.321 8.677 324 HE2 LYS 41 2HE LYS 41 3.956 -11.587 7.997 325 HE3 LYS 41 3HE LYS 41 4.905 -10.124 8.294 326 HZ1 LYS 41 3HZ LYS 41 3.283 -11.538 10.314 327 HZ2 LYS 41 1HZ LYS 41 4.911 -11.583 10.192 328 HZ3 LYS 41 2HZ LYS 41 4.160 -10.188 10.587 329 H LYS 42 H LYS 42 -1.226 -9.481 5.436 330 HA LYS 42 HA LYS 42 -2.754 -7.625 3.967 331 HB2 LYS 42 2HB LYS 42 -3.475 -9.597 6.185 332 HB3 LYS 42 3HB LYS 42 -4.664 -8.691 5.240 333 HG2 LYS 42 2HG LYS 42 -3.804 -9.770 3.148 334 HG3 LYS 42 3HG LYS 42 -2.646 -10.695 4.112 335 HD2 LYS 42 2HD LYS 42 -4.529 -11.735 5.386 336 HD3 LYS 42 3HD LYS 42 -5.692 -10.800 4.437 337 HE2 LYS 42 2HE LYS 42 -4.851 -11.891 2.343 338 HE3 LYS 42 3HE LYS 42 -3.703 -12.836 3.302 339 HZ1 LYS 42 3HZ LYS 42 -6.640 -12.952 3.564 340 HZ2 LYS 42 1HZ LYS 42 -5.700 -14.073 2.840 341 HZ3 LYS 42 2HZ LYS 42 -5.581 -13.824 4.450 342 H ASP 43 H ASP 43 -4.834 -6.645 5.357 343 HA ASP 43 HA ASP 43 -3.715 -4.370 6.547 344 HB2 ASP 43 2HB ASP 43 -6.024 -3.759 7.031 345 HB3 ASP 43 3HB ASP 43 -5.905 -4.434 5.400 346 H ALA 44 H ALA 44 -3.948 -7.521 7.863 347 HA ALA 44 HA ALA 44 -4.428 -7.026 10.548 348 HB1 ALA 44 3HB ALA 44 -2.346 -8.830 9.216 349 HB2 ALA 44 1HB ALA 44 -2.896 -8.947 10.922 350 HB3 ALA 44 2HB ALA 44 -4.051 -9.262 9.583 351 H ALA 45 H ALA 45 -1.617 -6.049 8.515 352 HA ALA 45 HA ALA 45 -1.354 -3.892 10.343 353 HB1 ALA 45 3HB ALA 45 0.961 -5.881 10.144 354 HB2 ALA 45 1HB ALA 45 1.036 -4.257 10.908 355 HB3 ALA 45 2HB ALA 45 -0.019 -5.531 11.608 356 H VAL 46 H VAL 46 -1.160 -2.195 8.950 357 HA VAL 46 HA VAL 46 0.899 -2.456 6.896 358 HB VAL 46 HB VAL 46 -1.914 -1.343 6.421 359 HG11 VAL 46 1HG1 VAL 46 -1.144 -0.997 4.095 360 HG12 VAL 46 2HG1 VAL 46 -0.192 -0.025 5.267 361 HG13 VAL 46 3HG1 VAL 46 0.506 -1.525 4.568 362 HG21 VAL 46 3HG2 VAL 46 -1.853 -3.799 6.424 363 HG22 VAL 46 1HG2 VAL 46 -2.099 -3.169 4.760 364 HG23 VAL 46 2HG2 VAL 46 -0.486 -3.780 5.259 365 H THR 47 H THR 47 2.305 -0.715 7.015 366 HA THR 47 HA THR 47 1.078 1.869 7.639 367 HB THR 47 HB THR 47 3.734 0.813 8.744 368 HG1 THR 47 HG1 THR 47 1.577 1.917 10.291 369 HG21 THR 47 3HG2 THR 47 2.436 3.570 8.991 370 HG22 THR 47 1HG2 THR 47 3.917 3.022 9.846 371 HG23 THR 47 2HG2 THR 47 3.918 3.175 8.057 372 H PHE 48 H PHE 48 1.976 3.657 6.454 373 HA PHE 48 HA PHE 48 4.193 3.160 4.665 374 HB2 PHE 48 2HB PHE 48 2.903 3.558 2.621 375 HB3 PHE 48 3HB PHE 48 2.334 2.098 3.441 376 HD1 PHE 48 HD1 PHE 48 0.157 2.090 4.632 377 HD2 PHE 48 HD2 PHE 48 1.487 5.501 2.383 378 HE1 PHE 48 HE1 PHE 48 -2.153 2.982 4.618 379 HE2 PHE 48 HE2 PHE 48 -0.822 6.395 2.376 380 HZ PHE 48 HZ PHE 48 -2.645 5.137 3.489 381 H GLU 49 H GLU 49 4.630 5.192 3.292 382 HA GLU 49 HA GLU 49 4.142 7.492 5.026 383 HB2 GLU 49 2HB GLU 49 5.985 7.039 2.629 384 HB3 GLU 49 3HB GLU 49 5.883 8.547 3.548 385 HG2 GLU 49 2HG GLU 49 6.611 7.321 5.610 386 HG3 GLU 49 3HG GLU 49 6.749 5.834 4.663 387 HA PRO 50 HA PRO 50 1.016 9.284 2.473 388 HB2 PRO 50 2HB PRO 50 2.444 11.890 3.157 389 HB3 PRO 50 3HB PRO 50 0.740 11.477 3.390 390 HG2 PRO 50 2HG PRO 50 2.363 11.536 5.502 391 HG3 PRO 50 3HG PRO 50 1.167 10.239 5.367 392 HD2 PRO 50 2HD PRO 50 4.158 10.139 4.806 393 HD3 PRO 50 3HD PRO 50 3.139 8.937 5.608 394 H THR 51 H THR 51 0.734 9.589 0.360 395 HA THR 51 HA THR 51 2.775 10.927 -1.154 396 HB THR 51 HB THR 51 3.733 8.637 -0.942 397 HG1 THR 51 HG1 THR 51 3.898 8.273 -3.272 398 HG21 THR 51 3HG2 THR 51 1.146 7.771 -2.324 399 HG22 THR 51 1HG2 THR 51 2.572 6.725 -2.010 400 HG23 THR 51 2HG2 THR 51 1.625 7.390 -0.636 401 H THR 52 H THR 52 2.051 11.389 -3.380 402 HA THR 52 HA THR 52 -0.501 10.271 -4.157 403 HB THR 52 HB THR 52 -1.156 12.310 -2.908 404 HG1 THR 52 HG1 THR 52 -2.296 13.326 -4.713 405 HG21 THR 52 3HG2 THR 52 0.616 13.762 -4.934 406 HG22 THR 52 1HG2 THR 52 -0.475 14.543 -3.741 407 HG23 THR 52 2HG2 THR 52 0.938 13.589 -3.176 408 H ASN 53 H ASN 53 -0.767 10.236 -6.463 409 HA ASN 53 HA ASN 53 1.428 11.422 -7.994 410 HB2 ASN 53 2HB ASN 53 1.995 9.047 -7.332 411 HB3 ASN 53 3HB ASN 53 0.587 8.514 -8.260 412 HD21 ASN 53 1HD2 ASN 53 3.097 7.617 -8.825 413 HD22 ASN 53 2HD2 ASN 53 3.547 8.178 -10.401 414 H ASN 54 H ASN 54 -0.418 12.918 -8.582 415 HA ASN 54 HA ASN 54 -1.658 13.658 -10.256 416 HB2 ASN 54 2HB ASN 54 -1.221 10.917 -11.505 417 HB3 ASN 54 3HB ASN 54 -1.981 12.297 -12.309 418 HD21 ASN 54 1HD2 ASN 54 0.745 10.611 -12.167 419 HD22 ASN 54 2HD2 ASN 54 1.881 11.825 -12.652 420 H LYS 55 H LYS 55 -3.611 12.031 -11.884 421 HA LYS 55 HA LYS 55 -5.702 12.154 -9.913 422 HB2 LYS 55 2HB LYS 55 -5.636 11.474 -12.891 423 HB3 LYS 55 3HB LYS 55 -7.118 11.537 -11.928 424 HG2 LYS 55 2HG LYS 55 -6.693 13.941 -11.420 425 HG3 LYS 55 3HG LYS 55 -5.201 13.881 -12.368 426 HD2 LYS 55 2HD LYS 55 -6.507 13.263 -14.405 427 HD3 LYS 55 3HD LYS 55 -8.003 13.289 -13.462 428 HE2 LYS 55 2HE LYS 55 -7.615 15.706 -12.922 429 HE3 LYS 55 3HE LYS 55 -6.129 15.677 -13.879 430 HZ1 LYS 55 3HZ LYS 55 -8.837 15.148 -14.927 431 HZ2 LYS 55 1HZ LYS 55 -7.979 16.520 -15.144 432 HZ3 LYS 55 2HZ LYS 55 -7.464 15.122 -15.811 433 H GLY 56 H GLY 56 -3.637 9.628 -11.309 434 HA2 GLY 56 2HA GLY 56 -5.448 7.573 -10.240 435 HA3 GLY 56 3HA GLY 56 -4.032 7.321 -11.269 436 H LEU 57 H LEU 57 -5.217 7.219 -8.031 437 HA LEU 57 HA LEU 57 -2.856 8.161 -6.714 438 HB2 LEU 57 2HB LEU 57 -5.294 6.588 -5.749 439 HB3 LEU 57 3HB LEU 57 -4.038 7.243 -4.690 440 HG LEU 57 HG LEU 57 -5.857 8.915 -6.504 441 HD11 LEU 57 1HD1 LEU 57 -6.909 9.622 -4.386 442 HD12 LEU 57 2HD1 LEU 57 -7.077 7.853 -4.646 443 HD13 LEU 57 3HD1 LEU 57 -5.861 8.478 -3.481 444 HD21 LEU 57 3HD2 LEU 57 -3.631 9.917 -6.144 445 HD22 LEU 57 1HD2 LEU 57 -4.900 10.822 -5.253 446 HD23 LEU 57 2HD2 LEU 57 -3.812 9.698 -4.371 447 H SER 58 H SER 58 -1.043 7.043 -6.091 448 HA SER 58 HA SER 58 -1.221 4.098 -6.127 449 HB2 SER 58 2HB SER 58 1.024 4.028 -7.101 450 HB3 SER 58 3HB SER 58 -0.099 4.865 -8.181 451 HG SER 58 HG SER 58 2.217 5.759 -7.255 452 H ALA 59 H ALA 59 0.601 3.066 -4.824 453 HA ALA 59 HA ALA 59 1.385 4.846 -2.605 454 HB1 ALA 59 3HB ALA 59 0.252 2.009 -2.442 455 HB2 ALA 59 1HB ALA 59 0.901 2.958 -1.063 456 HB3 ALA 59 2HB ALA 59 -0.575 3.516 -1.922 457 H TYR 60 H TYR 60 3.379 4.294 -1.533 458 HA TYR 60 HA TYR 60 4.976 2.265 -2.938 459 HB2 TYR 60 2HB TYR 60 5.906 5.108 -2.309 460 HB3 TYR 60 3HB TYR 60 6.855 3.834 -3.084 461 HD1 TYR 60 HD1 TYR 60 4.134 6.290 -3.543 462 HD2 TYR 60 HD2 TYR 60 6.458 3.211 -5.425 463 HE1 TYR 60 HE1 TYR 60 3.328 7.043 -5.758 464 HE2 TYR 60 HE2 TYR 60 5.657 3.958 -7.644 465 HH TYR 60 HH TYR 60 4.409 5.388 -8.771 466 H ALA 61 H ALA 61 6.830 1.476 -1.669 467 HA ALA 61 HA ALA 61 7.910 0.901 0.184 468 HB1 ALA 61 3HB ALA 61 7.280 3.792 0.956 469 HB2 ALA 61 1HB ALA 61 8.509 2.741 1.739 470 HB3 ALA 61 2HB ALA 61 8.705 3.225 0.021 471 H VAL 62 H VAL 62 5.655 -0.391 0.410 472 HA VAL 62 HA VAL 62 4.102 0.524 2.659 473 HB VAL 62 HB VAL 62 4.007 -2.055 1.010 474 HG11 VAL 62 1HG1 VAL 62 1.771 -2.370 2.029 475 HG12 VAL 62 2HG1 VAL 62 3.075 -2.380 3.264 476 HG13 VAL 62 3HG1 VAL 62 2.042 -0.925 3.060 477 HG21 VAL 62 3HG2 VAL 62 3.488 -0.046 -0.304 478 HG22 VAL 62 1HG2 VAL 62 2.010 -1.028 -0.027 479 HG23 VAL 62 2HG2 VAL 62 2.288 0.467 0.929 480 H LYS 63 H LYS 63 5.035 0.311 4.687 481 HA LYS 63 HA LYS 63 6.706 -2.063 5.146 482 HB2 LYS 63 2HB LYS 63 6.443 0.605 6.610 483 HB3 LYS 63 3HB LYS 63 7.450 -0.739 7.165 484 HG2 LYS 63 2HG LYS 63 8.797 -0.604 5.073 485 HG3 LYS 63 3HG LYS 63 7.781 0.725 4.498 486 HD2 LYS 63 2HD LYS 63 8.433 2.076 6.518 487 HD3 LYS 63 3HD LYS 63 9.477 0.752 7.052 488 HE2 LYS 63 2HE LYS 63 10.806 0.937 4.948 489 HE3 LYS 63 3HE LYS 63 9.750 2.239 4.386 490 HZ1 LYS 63 3HZ LYS 63 11.426 2.336 6.812 491 HZ2 LYS 63 1HZ LYS 63 11.743 3.092 5.401 492 HZ3 LYS 63 2HZ LYS 63 10.451 3.538 6.293 493 H VAL 64 H VAL 64 6.263 -3.535 6.823 494 HA VAL 64 HA VAL 64 3.599 -3.194 8.001 495 HB VAL 64 HB VAL 64 5.327 -5.678 7.537 496 HG11 VAL 64 1HG1 VAL 64 3.395 -6.960 8.405 497 HG12 VAL 64 2HG1 VAL 64 4.091 -5.873 9.654 498 HG13 VAL 64 3HG1 VAL 64 2.566 -5.422 8.819 499 HG21 VAL 64 3HG2 VAL 64 4.253 -4.798 5.511 500 HG22 VAL 64 1HG2 VAL 64 3.489 -6.342 6.020 501 HG23 VAL 64 2HG2 VAL 64 2.663 -4.780 6.345 502 H VAL 65 H VAL 65 3.299 -3.306 10.270 503 HA VAL 65 HA VAL 65 5.797 -3.146 11.783 504 HB VAL 65 HB VAL 65 4.370 -2.138 13.564 505 HG11 VAL 65 1HG1 VAL 65 3.879 -0.012 12.393 506 HG12 VAL 65 2HG1 VAL 65 5.471 -0.689 11.910 507 HG13 VAL 65 3HG1 VAL 65 4.058 -0.847 10.813 508 HG21 VAL 65 3HG2 VAL 65 2.262 -3.290 13.045 509 HG22 VAL 65 1HG2 VAL 65 2.033 -1.508 13.046 510 HG23 VAL 65 2HG2 VAL 65 2.143 -2.398 11.490 511 HA PRO 66 HA PRO 66 5.193 -6.997 13.808 512 HB2 PRO 66 2HB PRO 66 5.810 -5.547 16.413 513 HB3 PRO 66 3HB PRO 66 6.655 -6.926 15.697 514 HG2 PRO 66 2HG PRO 66 7.790 -4.516 15.610 515 HG3 PRO 66 3HG PRO 66 7.885 -5.568 14.191 516 HD2 PRO 66 2HD PRO 66 6.045 -3.185 14.674 517 HD3 PRO 66 3HD PRO 66 6.925 -3.624 13.204 518 H LEU 67 H LEU 67 3.162 -7.744 13.789 519 HA LEU 67 HA LEU 67 1.133 -6.482 15.393 520 HB2 LEU 67 2HB LEU 67 0.740 -7.610 13.179 521 HB3 LEU 67 3HB LEU 67 1.175 -9.158 13.916 522 HG LEU 67 HG LEU 67 -0.760 -8.961 15.483 523 HD11 LEU 67 1HD1 LEU 67 -2.440 -7.194 15.112 524 HD12 LEU 67 2HD1 LEU 67 -0.856 -6.506 15.607 525 HD13 LEU 67 3HD1 LEU 67 -1.370 -6.432 13.888 526 HD21 LEU 67 3HD2 LEU 67 -0.993 -10.131 13.321 527 HD22 LEU 67 1HD2 LEU 67 -2.519 -9.299 13.776 528 HD23 LEU 67 2HD2 LEU 67 -1.444 -8.585 12.527 529 H GLU 68 H GLU 68 3.260 -9.409 15.647 530 HA GLU 68 HA GLU 68 1.942 -10.165 18.125 531 HB2 GLU 68 2HB GLU 68 4.332 -11.304 16.597 532 HB3 GLU 68 3HB GLU 68 3.661 -12.001 18.077 533 HG2 GLU 68 2HG GLU 68 1.515 -12.440 16.946 534 HG3 GLU 68 3HG GLU 68 2.092 -11.641 15.477 535 H HIS 69 H HIS 69 2.391 -8.641 19.745 536 HA HIS 69 HA HIS 69 5.212 -7.984 20.186 537 HB2 HIS 69 2HB HIS 69 2.606 -6.937 21.392 538 HB3 HIS 69 3HB HIS 69 4.214 -6.439 21.936 539 HD2 HIS 69 HD2 HIS 69 1.610 -5.318 19.428 540 HE1 HIS 69 HE1 HIS 69 5.327 -3.723 18.028 541 H HIS 70 H HIS 70 2.914 -10.371 21.105 542 HA HIS 70 HA HIS 70 3.540 -10.656 23.835 543 HB2 HIS 70 2HB HIS 70 2.574 -12.875 23.598 544 HB3 HIS 70 3HB HIS 70 1.594 -11.711 22.697 545 HD2 HIS 70 HD2 HIS 70 1.315 -12.256 19.990 546 HE1 HIS 70 HE1 HIS 70 4.058 -15.539 19.846 547 H HIS 71 H HIS 71 4.819 -12.515 24.803 548 HA HIS 71 HA HIS 71 7.059 -13.342 23.102 549 HB2 HIS 71 2HB HIS 71 7.300 -12.029 25.856 550 HB3 HIS 71 3HB HIS 71 8.625 -12.821 24.992 551 HD2 HIS 71 HD2 HIS 71 6.918 -9.377 25.192 552 HE1 HIS 71 HE1 HIS 71 9.487 -9.302 21.769 553 H HIS 72 H HIS 72 8.052 -15.346 23.768 554 HA HIS 72 HA HIS 72 6.759 -16.656 26.063 555 HB2 HIS 72 2HB HIS 72 7.288 -17.899 23.318 556 HB3 HIS 72 3HB HIS 72 6.720 -18.771 24.748 557 HD2 HIS 72 HD2 HIS 72 5.277 -16.802 21.785 558 HE1 HIS 72 HE1 HIS 72 2.106 -17.259 24.624 559 H HIS 73 H HIS 73 8.830 -15.913 27.136 560 HA HIS 73 HA HIS 73 11.052 -17.698 26.377 561 HB2 HIS 73 2HB HIS 73 11.189 -14.797 27.338 562 HB3 HIS 73 3HB HIS 73 12.583 -15.865 27.132 563 HD2 HIS 73 HD2 HIS 73 13.421 -16.258 24.464 564 HE1 HIS 73 HE1 HIS 73 10.589 -13.556 22.733 565 H HIS 74 H HIS 74 9.099 -18.532 28.245 566 HA HIS 74 HA HIS 74 8.892 -19.324 30.301 567 HB2 HIS 74 2HB HIS 74 11.888 -18.743 30.496 568 HB3 HIS 74 3HB HIS 74 10.964 -19.758 31.610 569 HD2 HIS 74 HD2 HIS 74 12.700 -19.997 28.140 570 HE1 HIS 74 HE1 HIS 74 10.726 -23.724 28.870 Start of MODEL 8 1 H1 MET 1 1H MET 1 4.174 9.237 16.554 2 H2 MET 1 2H MET 1 3.230 8.109 15.846 3 H3 MET 1 3H MET 1 4.667 7.682 16.494 4 HA MET 1 HA MET 1 4.390 9.569 14.293 5 HB2 MET 1 2HB MET 1 6.749 7.984 15.414 6 HB3 MET 1 3HB MET 1 6.805 8.970 13.947 7 HG2 MET 1 2HG MET 1 6.278 9.968 16.786 8 HG3 MET 1 3HG MET 1 7.766 10.181 15.853 9 HE1 MET 1 3HE MET 1 6.719 11.033 12.861 10 HE2 MET 1 1HE MET 1 6.889 12.794 13.170 11 HE3 MET 1 2HE MET 1 8.081 11.642 13.861 12 H ALA 2 H ALA 2 4.469 6.124 15.277 13 HA ALA 2 HA ALA 2 4.910 5.117 12.654 14 HB1 ALA 2 3HB ALA 2 3.641 3.871 15.143 15 HB2 ALA 2 1HB ALA 2 4.159 2.979 13.673 16 HB3 ALA 2 2HB ALA 2 5.379 3.814 14.692 17 H MET 3 H MET 3 3.389 4.139 11.183 18 HA MET 3 HA MET 3 0.577 4.831 11.697 19 HB2 MET 3 2HB MET 3 2.188 5.401 9.165 20 HB3 MET 3 3HB MET 3 0.428 5.520 9.283 21 HG2 MET 3 2HG MET 3 0.669 7.284 11.032 22 HG3 MET 3 3HG MET 3 2.429 7.171 10.897 23 HE1 MET 3 3HE MET 3 -0.882 8.339 9.455 24 HE2 MET 3 1HE MET 3 -0.491 9.051 7.853 25 HE3 MET 3 2HE MET 3 -0.518 7.267 8.060 26 H ASN 4 H ASN 4 -0.965 3.444 10.616 27 HA ASN 4 HA ASN 4 0.273 1.044 9.440 28 HB2 ASN 4 2HB ASN 4 -2.141 1.199 11.285 29 HB3 ASN 4 3HB ASN 4 -1.584 -0.254 10.446 30 HD21 ASN 4 1HD2 ASN 4 -1.496 1.432 13.276 31 HD22 ASN 4 2HD2 ASN 4 -0.140 0.648 14.014 32 H GLY 5 H GLY 5 -1.333 -0.228 8.014 33 HA2 GLY 5 2HA GLY 5 -3.342 1.581 6.833 34 HA3 GLY 5 3HA GLY 5 -2.098 0.843 5.815 35 H THR 6 H THR 6 -4.625 0.233 5.048 36 HA THR 6 HA THR 6 -4.782 -2.570 5.894 37 HB THR 6 HB THR 6 -7.129 -0.692 5.302 38 HG1 THR 6 HG1 THR 6 -7.655 -1.219 7.544 39 HG21 THR 6 3HG2 THR 6 -7.076 -3.669 6.000 40 HG22 THR 6 1HG2 THR 6 -8.547 -2.650 5.843 41 HG23 THR 6 2HG2 THR 6 -7.512 -2.960 4.409 42 H ILE 7 H ILE 7 -4.701 -4.013 4.171 43 HA ILE 7 HA ILE 7 -5.045 -2.881 1.503 44 HB ILE 7 HB ILE 7 -3.961 -5.566 2.498 45 HG12 ILE 7 2HG1 ILE 7 -2.576 -3.276 1.026 46 HG13 ILE 7 3HG1 ILE 7 -2.548 -3.477 2.782 47 HG21 ILE 7 1HG2 ILE 7 -3.386 -6.016 0.136 48 HG22 ILE 7 2HG2 ILE 7 -5.160 -5.875 0.377 49 HG23 ILE 7 3HG2 ILE 7 -4.242 -4.515 -0.354 50 HD11 ILE 7 3HD1 ILE 7 -1.479 -5.480 0.742 51 HD12 ILE 7 1HD1 ILE 7 -0.502 -4.365 1.758 52 HD13 ILE 7 2HD1 ILE 7 -1.450 -5.683 2.527 53 H THR 8 H THR 8 -6.932 -3.204 0.355 54 HA THR 8 HA THR 8 -8.906 -4.946 1.578 55 HB THR 8 HB THR 8 -10.477 -3.879 -0.020 56 HG1 THR 8 HG1 THR 8 -9.629 -2.128 -1.361 57 HG21 THR 8 3HG2 THR 8 -8.661 -1.882 1.419 58 HG22 THR 8 1HG2 THR 8 -10.338 -1.566 0.860 59 HG23 THR 8 2HG2 THR 8 -10.034 -2.782 2.147 60 H THR 9 H THR 9 -6.803 -4.733 -1.319 61 HA THR 9 HA THR 9 -7.603 -7.450 -1.938 62 HB THR 9 HB THR 9 -7.606 -5.220 -4.042 63 HG1 THR 9 HG1 THR 9 -9.903 -5.763 -4.149 64 HG21 THR 9 3HG2 THR 9 -8.242 -8.205 -4.239 65 HG22 THR 9 1HG2 THR 9 -8.413 -7.003 -5.562 66 HG23 THR 9 2HG2 THR 9 -6.787 -7.385 -4.900 67 H TRP 10 H TRP 10 -5.863 -8.686 -2.747 68 HA TRP 10 HA TRP 10 -3.532 -7.296 -3.781 69 HB2 TRP 10 2HB TRP 10 -3.178 -7.279 -1.322 70 HB3 TRP 10 3HB TRP 10 -3.439 -9.027 -1.262 71 HD1 TRP 10 HD1 TRP 10 -0.937 -6.478 -2.863 72 HE1 TRP 10 HE1 TRP 10 1.367 -7.633 -3.056 73 HE3 TRP 10 HE3 TRP 10 -2.252 -11.167 -1.225 74 HZ2 TRP 10 HZ2 TRP 10 2.484 -10.171 -2.578 75 HZ3 TRP 10 HZ3 TRP 10 -0.494 -12.927 -1.115 76 HH2 TRP 10 HH2 TRP 10 1.815 -12.447 -1.773 77 H PHE 11 H PHE 11 -2.676 -8.488 -5.450 78 HA PHE 11 HA PHE 11 -3.423 -11.342 -5.528 79 HB2 PHE 11 2HB PHE 11 -2.799 -9.350 -7.762 80 HB3 PHE 11 3HB PHE 11 -3.029 -11.086 -8.009 81 HD1 PHE 11 HD1 PHE 11 -5.251 -12.122 -7.680 82 HD2 PHE 11 HD2 PHE 11 -4.674 -7.881 -7.319 83 HE1 PHE 11 HE1 PHE 11 -7.694 -11.773 -7.875 84 HE2 PHE 11 HE2 PHE 11 -7.118 -7.533 -7.511 85 HZ PHE 11 HZ PHE 11 -8.632 -9.477 -7.787 86 H LYS 12 H LYS 12 -1.744 -12.667 -4.968 87 HA LYS 12 HA LYS 12 0.926 -11.823 -4.855 88 HB2 LYS 12 2HB LYS 12 -0.051 -13.723 -3.579 89 HB3 LYS 12 3HB LYS 12 -0.275 -14.625 -5.083 90 HG2 LYS 12 2HG LYS 12 2.179 -14.672 -5.444 91 HG3 LYS 12 3HG LYS 12 2.428 -13.719 -3.975 92 HD2 LYS 12 2HD LYS 12 1.378 -15.521 -2.609 93 HD3 LYS 12 3HD LYS 12 1.078 -16.470 -4.071 94 HE2 LYS 12 2HE LYS 12 3.552 -16.519 -4.524 95 HE3 LYS 12 3HE LYS 12 3.830 -15.617 -3.028 96 HZ1 LYS 12 3HZ LYS 12 2.564 -18.276 -3.201 97 HZ2 LYS 12 1HZ LYS 12 4.088 -17.974 -2.701 98 HZ3 LYS 12 2HZ LYS 12 2.820 -17.444 -1.820 99 H ASP 13 H ASP 13 -0.894 -13.698 -7.408 100 HA ASP 13 HA ASP 13 1.525 -14.252 -8.831 101 HB2 ASP 13 2HB ASP 13 -1.445 -14.606 -9.419 102 HB3 ASP 13 3HB ASP 13 -0.189 -15.035 -10.588 103 H LYS 14 H LYS 14 -0.850 -11.601 -8.817 104 HA LYS 14 HA LYS 14 -0.143 -10.918 -11.579 105 HB2 LYS 14 2HB LYS 14 -2.327 -9.856 -9.721 106 HB3 LYS 14 3HB LYS 14 -2.103 -9.405 -11.417 107 HG2 LYS 14 2HG LYS 14 -2.760 -12.219 -10.411 108 HG3 LYS 14 3HG LYS 14 -3.926 -11.076 -11.090 109 HD2 LYS 14 2HD LYS 14 -2.627 -11.032 -13.234 110 HD3 LYS 14 3HD LYS 14 -1.475 -12.189 -12.554 111 HE2 LYS 14 2HE LYS 14 -3.352 -13.833 -12.225 112 HE3 LYS 14 3HE LYS 14 -4.472 -12.679 -12.960 113 HZ1 LYS 14 3HZ LYS 14 -2.122 -13.855 -14.299 114 HZ2 LYS 14 1HZ LYS 14 -3.678 -14.277 -14.553 115 HZ3 LYS 14 2HZ LYS 14 -3.156 -12.790 -14.978 116 H GLY 15 H GLY 15 0.327 -9.890 -8.199 117 HA2 GLY 15 2HA GLY 15 1.786 -8.351 -7.419 118 HA3 GLY 15 3HA GLY 15 2.244 -7.948 -9.079 119 H PHE 16 H PHE 16 -1.178 -7.857 -7.931 120 HA PHE 16 HA PHE 16 -1.003 -4.913 -8.012 121 HB2 PHE 16 2HB PHE 16 -3.292 -6.863 -8.532 122 HB3 PHE 16 3HB PHE 16 -3.544 -5.131 -8.283 123 HD1 PHE 16 HD1 PHE 16 -1.669 -7.567 -10.434 124 HD2 PHE 16 HD2 PHE 16 -3.362 -3.634 -10.081 125 HE1 PHE 16 HE1 PHE 16 -1.219 -7.157 -12.832 126 HE2 PHE 16 HE2 PHE 16 -2.912 -3.226 -12.481 127 HZ PHE 16 HZ PHE 16 -1.838 -4.988 -13.861 128 H GLY 17 H GLY 17 -1.483 -3.745 -6.159 129 HA2 GLY 17 2HA GLY 17 -3.050 -5.090 -4.081 130 HA3 GLY 17 3HA GLY 17 -1.414 -4.560 -3.664 131 H PHE 18 H PHE 18 -4.047 -3.597 -2.581 132 HA PHE 18 HA PHE 18 -3.713 -0.762 -3.319 133 HB2 PHE 18 2HB PHE 18 -6.315 -2.271 -2.765 134 HB3 PHE 18 3HB PHE 18 -6.177 -0.517 -2.947 135 HD1 PHE 18 HD1 PHE 18 -5.669 0.488 -5.143 136 HD2 PHE 18 HD2 PHE 18 -6.179 -3.753 -4.683 137 HE1 PHE 18 HE1 PHE 18 -5.939 0.253 -7.592 138 HE2 PHE 18 HE2 PHE 18 -6.448 -3.985 -7.135 139 HZ PHE 18 HZ PHE 18 -6.333 -1.982 -8.592 140 H ILE 19 H ILE 19 -4.087 0.764 -1.576 141 HA ILE 19 HA ILE 19 -4.358 -0.503 1.056 142 HB ILE 19 HB ILE 19 -2.439 1.742 0.245 143 HG12 ILE 19 2HG1 ILE 19 -1.884 -1.006 1.458 144 HG13 ILE 19 3HG1 ILE 19 -1.779 -0.649 -0.271 145 HG21 ILE 19 1HG2 ILE 19 -1.751 1.756 2.620 146 HG22 ILE 19 2HG2 ILE 19 -3.473 2.224 2.420 147 HG23 ILE 19 3HG2 ILE 19 -3.052 0.577 3.000 148 HD11 ILE 19 3HD1 ILE 19 -0.132 0.680 1.927 149 HD12 ILE 19 1HD1 ILE 19 0.435 -0.583 0.782 150 HD13 ILE 19 2HD1 ILE 19 -0.025 1.042 0.171 151 H LYS 20 H LYS 20 -5.837 0.510 2.438 152 HA LYS 20 HA LYS 20 -7.021 3.013 1.472 153 HB2 LYS 20 2HB LYS 20 -8.494 1.081 2.068 154 HB3 LYS 20 3HB LYS 20 -7.846 1.106 3.714 155 HG2 LYS 20 2HG LYS 20 -8.741 3.421 4.023 156 HG3 LYS 20 3HG LYS 20 -9.406 3.376 2.384 157 HD2 LYS 20 2HD LYS 20 -10.789 1.377 3.008 158 HD3 LYS 20 3HD LYS 20 -10.134 1.442 4.650 159 HE2 LYS 20 2HE LYS 20 -11.070 3.742 4.936 160 HE3 LYS 20 3HE LYS 20 -11.716 3.687 3.290 161 HZ1 LYS 20 3HZ LYS 20 -12.474 1.857 5.477 162 HZ2 LYS 20 1HZ LYS 20 -13.375 3.096 4.912 163 HZ3 LYS 20 2HZ LYS 20 -13.071 1.806 3.958 164 H ASP 21 H ASP 21 -6.451 4.961 2.370 165 HA ASP 21 HA ASP 21 -4.422 4.866 4.424 166 HB2 ASP 21 2HB ASP 21 -4.543 6.344 2.258 167 HB3 ASP 21 3HB ASP 21 -5.656 7.354 3.190 168 H GLU 22 H GLU 22 -4.522 6.456 6.321 169 HA GLU 22 HA GLU 22 -6.879 6.235 7.813 170 HB2 GLU 22 2HB GLU 22 -4.499 8.138 7.934 171 HB3 GLU 22 3HB GLU 22 -5.803 8.158 9.128 172 HG2 GLU 22 2HG GLU 22 -5.303 5.818 9.756 173 HG3 GLU 22 3HG GLU 22 -4.051 5.728 8.511 174 H ASN 23 H ASN 23 -6.022 8.396 5.152 175 HA ASN 23 HA ASN 23 -8.054 10.322 5.896 176 HB2 ASN 23 2HB ASN 23 -6.223 10.006 3.493 177 HB3 ASN 23 3HB ASN 23 -7.475 11.251 3.596 178 HD21 ASN 23 1HD2 ASN 23 -4.689 11.666 3.335 179 HD22 ASN 23 2HD2 ASN 23 -4.198 12.609 4.703 180 H GLY 24 H GLY 24 -7.962 7.209 4.357 181 HA2 GLY 24 2HA GLY 24 -9.932 6.095 3.873 182 HA3 GLY 24 3HA GLY 24 -10.758 7.637 3.612 183 H ASP 25 H ASP 25 -7.722 7.790 2.031 184 HA ASP 25 HA ASP 25 -9.031 7.485 -0.530 185 HB2 ASP 25 2HB ASP 25 -6.252 8.338 0.388 186 HB3 ASP 25 3HB ASP 25 -6.663 8.131 -1.320 187 H ASN 26 H ASN 26 -8.790 5.786 -1.977 188 HA ASN 26 HA ASN 26 -7.217 3.520 -1.044 189 HB2 ASN 26 2HB ASN 26 -9.168 3.873 -3.350 190 HB3 ASN 26 3HB ASN 26 -8.283 2.379 -3.013 191 HD21 ASN 26 1HD2 ASN 26 -11.138 3.900 -2.626 192 HD22 ASN 26 2HD2 ASN 26 -11.762 2.997 -1.286 193 H ARG 27 H ARG 27 -5.119 3.253 -1.702 194 HA ARG 27 HA ARG 27 -4.369 4.575 -4.225 195 HB2 ARG 27 2HB ARG 27 -2.947 4.427 -1.580 196 HB3 ARG 27 3HB ARG 27 -2.034 4.585 -3.086 197 HG2 ARG 27 2HG ARG 27 -3.179 6.667 -3.631 198 HG3 ARG 27 3HG ARG 27 -4.265 6.483 -2.248 199 HD2 ARG 27 2HD ARG 27 -2.597 6.948 -0.699 200 HD3 ARG 27 3HD ARG 27 -1.293 6.589 -1.839 201 HE ARG 27 HE ARG 27 -1.621 8.716 -2.863 202 HH11 ARG 27 1HH1 ARG 27 -3.728 8.237 -0.090 203 HH12 ARG 27 2HH1 ARG 27 -4.020 9.930 0.124 204 HH21 ARG 27 1HH2 ARG 27 -2.012 10.880 -2.580 205 HH22 ARG 27 2HH2 ARG 27 -3.037 11.448 -1.305 206 H TYR 28 H TYR 28 -3.093 3.413 -5.707 207 HA TYR 28 HA TYR 28 -2.860 0.558 -5.117 208 HB2 TYR 28 2HB TYR 28 -3.956 1.149 -7.208 209 HB3 TYR 28 3HB TYR 28 -2.633 2.233 -7.661 210 HD1 TYR 28 HD1 TYR 28 -3.357 -1.379 -6.908 211 HD2 TYR 28 HD2 TYR 28 -0.848 1.429 -8.965 212 HE1 TYR 28 HE1 TYR 28 -2.229 -3.249 -8.075 213 HE2 TYR 28 HE2 TYR 28 0.282 -0.434 -10.138 214 HH TYR 28 HH TYR 28 -0.971 -3.594 -10.216 215 H PHE 29 H PHE 29 -0.894 -0.524 -4.932 216 HA PHE 29 HA PHE 29 1.520 1.124 -5.311 217 HB2 PHE 29 2HB PHE 29 2.430 0.347 -3.246 218 HB3 PHE 29 3HB PHE 29 0.807 0.947 -2.881 219 HD1 PHE 29 HD1 PHE 29 -1.019 -0.609 -2.322 220 HD2 PHE 29 HD2 PHE 29 2.966 -2.022 -3.085 221 HE1 PHE 29 HE1 PHE 29 -1.591 -2.781 -1.284 222 HE2 PHE 29 HE2 PHE 29 2.391 -4.195 -2.051 223 HZ PHE 29 HZ PHE 29 0.114 -4.580 -1.148 224 H HIS 30 H HIS 30 3.553 -0.266 -5.498 225 HA HIS 30 HA HIS 30 2.877 -2.876 -6.693 226 HB2 HIS 30 2HB HIS 30 5.290 -1.034 -7.066 227 HB3 HIS 30 3HB HIS 30 5.156 -2.658 -7.755 228 HD2 HIS 30 HD2 HIS 30 3.875 0.968 -8.429 229 HE1 HIS 30 HE1 HIS 30 2.246 -1.597 -11.445 230 H VAL 31 H VAL 31 3.983 -4.764 -5.995 231 HA VAL 31 HA VAL 31 4.811 -4.785 -3.331 232 HB VAL 31 HB VAL 31 5.559 -7.109 -3.818 233 HG11 VAL 31 1HG1 VAL 31 3.379 -7.988 -4.594 234 HG12 VAL 31 2HG1 VAL 31 3.179 -6.663 -3.399 235 HG13 VAL 31 3HG1 VAL 31 2.917 -6.343 -5.147 236 HG21 VAL 31 3HG2 VAL 31 6.561 -6.719 -6.028 237 HG22 VAL 31 1HG2 VAL 31 5.326 -8.021 -6.107 238 HG23 VAL 31 2HG2 VAL 31 4.939 -6.377 -6.718 239 H ILE 32 H ILE 32 6.563 -4.066 -6.331 240 HA ILE 32 HA ILE 32 9.134 -4.691 -5.274 241 HB ILE 32 HB ILE 32 9.978 -3.515 -7.279 242 HG12 ILE 32 2HG1 ILE 32 7.057 -2.837 -7.857 243 HG13 ILE 32 3HG1 ILE 32 8.224 -1.688 -7.191 244 HG21 ILE 32 1HG2 ILE 32 8.887 -4.916 -8.999 245 HG22 ILE 32 2HG2 ILE 32 9.224 -5.843 -7.498 246 HG23 ILE 32 3HG2 ILE 32 7.555 -5.282 -7.852 247 HD11 ILE 32 3HD1 ILE 32 8.454 -3.102 -9.886 248 HD12 ILE 32 1HD1 ILE 32 7.977 -1.392 -9.614 249 HD13 ILE 32 2HD1 ILE 32 9.640 -1.935 -9.209 250 H LYS 33 H LYS 33 6.879 -2.065 -4.806 251 HA LYS 33 HA LYS 33 9.033 -0.196 -4.126 252 HB2 LYS 33 2HB LYS 33 5.997 0.135 -4.246 253 HB3 LYS 33 3HB LYS 33 7.156 1.420 -3.880 254 HG2 LYS 33 2HG LYS 33 7.003 -0.128 -6.515 255 HG3 LYS 33 3HG LYS 33 6.352 1.493 -6.237 256 HD2 LYS 33 2HD LYS 33 8.644 2.328 -5.689 257 HD3 LYS 33 3HD LYS 33 9.302 0.706 -5.942 258 HE2 LYS 33 2HE LYS 33 8.396 0.779 -8.320 259 HE3 LYS 33 3HE LYS 33 7.918 2.458 -8.039 260 HZ1 LYS 33 3HZ LYS 33 10.674 1.422 -7.860 261 HZ2 LYS 33 1HZ LYS 33 10.065 2.313 -9.085 262 HZ3 LYS 33 2HZ LYS 33 10.233 2.972 -7.600 263 H VAL 34 H VAL 34 8.004 -2.789 -2.565 264 HA VAL 34 HA VAL 34 7.343 -1.385 -0.076 265 HB VAL 34 HB VAL 34 7.064 -4.335 -0.847 266 HG11 VAL 34 1HG1 VAL 34 5.807 -4.539 1.277 267 HG12 VAL 34 2HG1 VAL 34 7.511 -4.041 1.554 268 HG13 VAL 34 3HG1 VAL 34 6.191 -2.827 1.663 269 HG21 VAL 34 3HG2 VAL 34 5.470 -2.891 -2.032 270 HG22 VAL 34 1HG2 VAL 34 4.634 -3.879 -0.787 271 HG23 VAL 34 2HG2 VAL 34 4.973 -2.142 -0.478 272 H ALA 35 H ALA 35 8.662 -1.620 1.780 273 HA ALA 35 HA ALA 35 11.380 -2.236 1.261 274 HB1 ALA 35 3HB ALA 35 9.857 -1.755 3.868 275 HB2 ALA 35 1HB ALA 35 11.643 -1.768 3.685 276 HB3 ALA 35 2HB ALA 35 10.665 -0.507 2.861 277 H ASN 36 H ASN 36 8.777 -3.934 3.189 278 HA ASN 36 HA ASN 36 10.304 -6.385 2.708 279 HB2 ASN 36 2HB ASN 36 9.190 -5.478 5.389 280 HB3 ASN 36 3HB ASN 36 9.685 -7.137 5.030 281 HD21 ASN 36 1HD2 ASN 36 10.659 -4.050 6.013 282 HD22 ASN 36 2HD2 ASN 36 12.356 -4.370 6.143 283 HA PRO 37 HA PRO 37 5.857 -6.742 1.496 284 HB2 PRO 37 2HB PRO 37 6.414 -8.398 -0.686 285 HB3 PRO 37 3HB PRO 37 6.483 -6.636 -0.815 286 HG2 PRO 37 2HG PRO 37 8.751 -8.605 -0.354 287 HG3 PRO 37 3HG PRO 37 8.685 -7.230 -1.464 288 HD2 PRO 37 2HD PRO 37 9.969 -6.997 0.909 289 HD3 PRO 37 3HD PRO 37 9.038 -5.636 0.272 290 H ASP 38 H ASP 38 8.319 -8.995 2.519 291 HA ASP 38 HA ASP 38 6.604 -11.267 2.572 292 HB2 ASP 38 2HB ASP 38 9.178 -10.486 4.004 293 HB3 ASP 38 3HB ASP 38 8.354 -12.020 4.312 294 H LEU 39 H LEU 39 6.995 -8.390 4.634 295 HA LEU 39 HA LEU 39 5.733 -9.792 6.881 296 HB2 LEU 39 2HB LEU 39 7.062 -7.047 6.641 297 HB3 LEU 39 3HB LEU 39 6.370 -7.713 8.126 298 HG LEU 39 HG LEU 39 8.719 -8.934 6.582 299 HD11 LEU 39 1HD1 LEU 39 10.070 -8.140 8.488 300 HD12 LEU 39 2HD1 LEU 39 9.285 -6.776 7.623 301 HD13 LEU 39 3HD1 LEU 39 8.619 -7.348 9.190 302 HD21 LEU 39 3HD2 LEU 39 7.352 -10.599 7.789 303 HD22 LEU 39 1HD2 LEU 39 8.942 -10.363 8.590 304 HD23 LEU 39 2HD2 LEU 39 7.466 -9.615 9.287 305 H ILE 40 H ILE 40 4.791 -7.996 4.141 306 HA ILE 40 HA ILE 40 2.840 -6.330 5.289 307 HB ILE 40 HB ILE 40 3.069 -7.632 2.530 308 HG12 ILE 40 2HG1 ILE 40 4.884 -6.065 3.113 309 HG13 ILE 40 3HG1 ILE 40 3.863 -5.435 1.814 310 HG21 ILE 40 1HG2 ILE 40 1.405 -5.959 1.790 311 HG22 ILE 40 2HG2 ILE 40 0.722 -7.087 3.010 312 HG23 ILE 40 3HG2 ILE 40 1.194 -5.422 3.491 313 HD11 ILE 40 3HD1 ILE 40 3.709 -4.628 4.754 314 HD12 ILE 40 1HD1 ILE 40 4.439 -3.671 3.421 315 HD13 ILE 40 2HD1 ILE 40 2.671 -3.988 3.435 316 H LYS 41 H LYS 41 0.733 -6.733 5.979 317 HA LYS 41 HA LYS 41 -0.332 -9.425 5.408 318 HB2 LYS 41 2HB LYS 41 -0.524 -7.756 7.958 319 HB3 LYS 41 3HB LYS 41 -1.504 -9.193 7.640 320 HG2 LYS 41 2HG LYS 41 0.588 -10.563 7.464 321 HG3 LYS 41 3HG LYS 41 1.549 -9.123 7.826 322 HD2 LYS 41 2HD LYS 41 0.366 -8.883 10.018 323 HD3 LYS 41 3HD LYS 41 -0.599 -10.320 9.656 324 HE2 LYS 41 2HE LYS 41 1.502 -11.683 9.503 325 HE3 LYS 41 3HE LYS 41 2.456 -10.245 9.890 326 HZ1 LYS 41 3HZ LYS 41 0.417 -11.456 11.646 327 HZ2 LYS 41 1HZ LYS 41 2.034 -11.576 11.834 328 HZ3 LYS 41 2HZ LYS 41 1.298 -10.128 12.003 329 H LYS 42 H LYS 42 -2.756 -9.527 5.387 330 HA LYS 42 HA LYS 42 -3.758 -7.761 3.555 331 HB2 LYS 42 2HB LYS 42 -4.681 -10.009 4.171 332 HB3 LYS 42 3HB LYS 42 -5.304 -9.322 5.678 333 HG2 LYS 42 2HG LYS 42 -6.804 -7.823 4.431 334 HG3 LYS 42 3HG LYS 42 -6.114 -8.353 2.892 335 HD2 LYS 42 2HD LYS 42 -6.919 -10.661 3.279 336 HD3 LYS 42 3HD LYS 42 -7.513 -10.215 4.884 337 HE2 LYS 42 2HE LYS 42 -9.124 -8.624 3.890 338 HE3 LYS 42 3HE LYS 42 -8.481 -8.939 2.273 339 HZ1 LYS 42 3HZ LYS 42 -9.796 -10.939 3.998 340 HZ2 LYS 42 1HZ LYS 42 -10.464 -10.210 2.699 341 HZ3 LYS 42 2HZ LYS 42 -9.202 -11.229 2.505 342 H ASP 43 H ASP 43 -5.018 -7.841 6.993 343 HA ASP 43 HA ASP 43 -5.981 -5.138 6.572 344 HB2 ASP 43 2HB ASP 43 -6.238 -7.127 8.877 345 HB3 ASP 43 3HB ASP 43 -6.983 -5.523 8.857 346 H ALA 44 H ALA 44 -3.251 -6.782 8.151 347 HA ALA 44 HA ALA 44 -2.921 -4.568 10.028 348 HB1 ALA 44 3HB ALA 44 -1.479 -7.245 9.706 349 HB2 ALA 44 1HB ALA 44 -1.193 -6.052 11.017 350 HB3 ALA 44 2HB ALA 44 -2.784 -6.873 10.882 351 H ALA 45 H ALA 45 -2.414 -4.308 7.001 352 HA ALA 45 HA ALA 45 0.357 -4.561 6.540 353 HB1 ALA 45 3HB ALA 45 -1.779 -2.859 5.165 354 HB2 ALA 45 1HB ALA 45 -0.147 -3.223 4.511 355 HB3 ALA 45 2HB ALA 45 -1.334 -4.549 4.750 356 H VAL 46 H VAL 46 1.686 -2.517 5.729 357 HA VAL 46 HA VAL 46 1.638 -0.776 8.089 358 HB VAL 46 HB VAL 46 4.075 -0.475 7.643 359 HG11 VAL 46 1HG1 VAL 46 4.787 -2.753 8.303 360 HG12 VAL 46 2HG1 VAL 46 3.320 -2.226 9.196 361 HG13 VAL 46 3HG1 VAL 46 3.174 -3.388 7.834 362 HG21 VAL 46 3HG2 VAL 46 4.051 -0.831 5.212 363 HG22 VAL 46 1HG2 VAL 46 5.208 -1.949 6.010 364 HG23 VAL 46 2HG2 VAL 46 3.611 -2.555 5.456 365 H THR 47 H THR 47 3.845 0.899 6.589 366 HA THR 47 HA THR 47 1.645 2.691 5.836 367 HB THR 47 HB THR 47 2.868 3.143 8.003 368 HG1 THR 47 HG1 THR 47 3.454 5.450 7.252 369 HG21 THR 47 3HG2 THR 47 5.204 3.715 6.113 370 HG22 THR 47 1HG2 THR 47 5.158 4.079 7.871 371 HG23 THR 47 2HG2 THR 47 5.108 2.376 7.305 372 H PHE 48 H PHE 48 2.556 4.734 4.529 373 HA PHE 48 HA PHE 48 4.596 3.987 2.618 374 HB2 PHE 48 2HB PHE 48 3.116 4.056 0.683 375 HB3 PHE 48 3HB PHE 48 2.600 2.770 1.782 376 HD1 PHE 48 HD1 PHE 48 0.527 2.995 3.102 377 HD2 PHE 48 HD2 PHE 48 1.739 6.020 0.303 378 HE1 PHE 48 HE1 PHE 48 -1.756 3.952 3.147 379 HE2 PHE 48 HE2 PHE 48 -0.544 6.975 0.349 380 HZ PHE 48 HZ PHE 48 -2.295 5.946 1.770 381 H GLU 49 H GLU 49 4.906 5.807 0.959 382 HA GLU 49 HA GLU 49 4.270 8.378 2.191 383 HB2 GLU 49 2HB GLU 49 6.577 7.919 1.421 384 HB3 GLU 49 3HB GLU 49 5.986 7.586 -0.212 385 HG2 GLU 49 2HG GLU 49 5.174 9.947 -0.389 386 HG3 GLU 49 3HG GLU 49 5.792 10.275 1.235 387 HA PRO 50 HA PRO 50 0.758 8.721 -0.469 388 HB2 PRO 50 2HB PRO 50 0.055 11.307 0.266 389 HB3 PRO 50 3HB PRO 50 -0.206 9.943 1.361 390 HG2 PRO 50 2HG PRO 50 2.089 11.935 1.309 391 HG3 PRO 50 3HG PRO 50 1.154 11.356 2.695 392 HD2 PRO 50 2HD PRO 50 3.600 10.307 2.140 393 HD3 PRO 50 3HD PRO 50 2.309 9.283 2.783 394 H THR 51 H THR 51 0.024 9.640 -2.396 395 HA THR 51 HA THR 51 1.388 11.874 -3.496 396 HB THR 51 HB THR 51 3.091 10.039 -3.858 397 HG1 THR 51 HG1 THR 51 3.297 10.521 -6.163 398 HG21 THR 51 3HG2 THR 51 0.892 8.886 -5.645 399 HG22 THR 51 1HG2 THR 51 2.591 8.310 -5.562 400 HG23 THR 51 2HG2 THR 51 1.519 8.155 -4.129 401 H THR 52 H THR 52 0.689 12.028 -6.018 402 HA THR 52 HA THR 52 -1.914 10.767 -6.379 403 HB THR 52 HB THR 52 -1.416 13.785 -6.566 404 HG1 THR 52 HG1 THR 52 -3.030 13.813 -4.838 405 HG21 THR 52 3HG2 THR 52 -3.930 12.121 -7.086 406 HG22 THR 52 1HG2 THR 52 -3.835 13.914 -7.093 407 HG23 THR 52 2HG2 THR 52 -2.941 12.963 -8.326 408 H ASN 53 H ASN 53 -2.361 10.290 -8.561 409 HA ASN 53 HA ASN 53 -0.565 11.533 -10.531 410 HB2 ASN 53 2HB ASN 53 -1.455 8.628 -10.386 411 HB3 ASN 53 3HB ASN 53 -0.676 9.368 -11.791 412 HD21 ASN 53 1HD2 ASN 53 -0.191 7.622 -9.034 413 HD22 ASN 53 2HD2 ASN 53 1.523 7.823 -8.888 414 H ASN 54 H ASN 54 -1.506 11.538 -12.792 415 HA ASN 54 HA ASN 54 -4.239 12.354 -12.661 416 HB2 ASN 54 2HB ASN 54 -2.237 12.036 -14.921 417 HB3 ASN 54 3HB ASN 54 -3.910 12.545 -15.188 418 HD21 ASN 54 1HD2 ASN 54 -1.714 14.079 -15.870 419 HD22 ASN 54 2HD2 ASN 54 -1.775 15.539 -14.940 420 H LYS 55 H LYS 55 -2.645 9.282 -13.112 421 HA LYS 55 HA LYS 55 -4.905 8.182 -14.599 422 HB2 LYS 55 2HB LYS 55 -2.296 6.982 -13.559 423 HB3 LYS 55 3HB LYS 55 -3.532 6.073 -14.438 424 HG2 LYS 55 2HG LYS 55 -3.229 7.569 -16.413 425 HG3 LYS 55 3HG LYS 55 -1.995 8.480 -15.534 426 HD2 LYS 55 2HD LYS 55 -0.606 6.416 -15.321 427 HD3 LYS 55 3HD LYS 55 -1.847 5.485 -16.171 428 HE2 LYS 55 2HE LYS 55 -1.574 6.969 -18.176 429 HE3 LYS 55 3HE LYS 55 -0.316 7.875 -17.326 430 HZ1 LYS 55 3HZ LYS 55 -0.191 5.003 -17.987 431 HZ2 LYS 55 1HZ LYS 55 0.616 6.196 -18.755 432 HZ3 LYS 55 2HZ LYS 55 0.971 5.839 -17.202 433 H GLY 56 H GLY 56 -3.954 8.762 -11.291 434 HA2 GLY 56 2HA GLY 56 -6.151 8.084 -10.031 435 HA3 GLY 56 3HA GLY 56 -5.498 6.467 -10.324 436 H LEU 57 H LEU 57 -5.849 7.204 -7.683 437 HA LEU 57 HA LEU 57 -3.513 8.480 -6.624 438 HB2 LEU 57 2HB LEU 57 -5.756 6.837 -5.352 439 HB3 LEU 57 3HB LEU 57 -4.501 7.689 -4.443 440 HG LEU 57 HG LEU 57 -6.526 9.038 -6.307 441 HD11 LEU 57 1HD1 LEU 57 -7.551 9.858 -4.219 442 HD12 LEU 57 2HD1 LEU 57 -7.592 8.065 -4.314 443 HD13 LEU 57 3HD1 LEU 57 -6.387 8.881 -3.261 444 HD21 LEU 57 3HD2 LEU 57 -4.371 10.229 -6.136 445 HD22 LEU 57 1HD2 LEU 57 -5.673 11.117 -5.273 446 HD23 LEU 57 2HD2 LEU 57 -4.470 10.161 -4.344 447 H SER 58 H SER 58 -1.621 7.571 -5.825 448 HA SER 58 HA SER 58 -1.439 4.633 -6.011 449 HB2 SER 58 2HB SER 58 0.529 6.693 -7.108 450 HB3 SER 58 3HB SER 58 0.783 4.943 -7.071 451 HG SER 58 HG SER 58 0.015 5.518 -9.110 452 H ALA 59 H ALA 59 0.600 3.791 -4.884 453 HA ALA 59 HA ALA 59 1.383 5.574 -2.675 454 HB1 ALA 59 3HB ALA 59 0.449 2.670 -2.458 455 HB2 ALA 59 1HB ALA 59 1.147 3.650 -1.125 456 HB3 ALA 59 2HB ALA 59 -0.426 4.118 -1.854 457 H TYR 60 H TYR 60 3.561 5.500 -2.169 458 HA TYR 60 HA TYR 60 5.112 3.304 -3.359 459 HB2 TYR 60 2HB TYR 60 5.685 6.299 -3.585 460 HB3 TYR 60 3HB TYR 60 6.829 5.021 -4.019 461 HD1 TYR 60 HD1 TYR 60 6.464 3.628 -6.016 462 HD2 TYR 60 HD2 TYR 60 3.732 6.774 -4.988 463 HE1 TYR 60 HE1 TYR 60 5.492 3.523 -8.291 464 HE2 TYR 60 HE2 TYR 60 2.753 6.672 -7.259 465 HH TYR 60 HH TYR 60 2.796 5.712 -9.246 466 H ALA 61 H ALA 61 7.427 3.277 -2.430 467 HA ALA 61 HA ALA 61 8.775 3.121 -0.676 468 HB1 ALA 61 3HB ALA 61 7.495 5.803 0.050 469 HB2 ALA 61 1HB ALA 61 9.011 5.141 0.751 470 HB3 ALA 61 2HB ALA 61 8.935 5.558 -0.995 471 H VAL 62 H VAL 62 6.794 1.382 -0.253 472 HA VAL 62 HA VAL 62 5.344 1.957 2.138 473 HB VAL 62 HB VAL 62 5.828 -0.642 0.593 474 HG11 VAL 62 1HG1 VAL 62 3.908 -1.535 1.879 475 HG12 VAL 62 2HG1 VAL 62 5.286 -1.103 2.947 476 HG13 VAL 62 3HG1 VAL 62 3.856 -0.020 2.843 477 HG21 VAL 62 3HG2 VAL 62 4.599 1.058 -0.689 478 HG22 VAL 62 1HG2 VAL 62 3.514 -0.292 -0.214 479 HG23 VAL 62 2HG2 VAL 62 3.447 1.269 0.672 480 H LYS 63 H LYS 63 5.988 1.600 4.261 481 HA LYS 63 HA LYS 63 8.634 0.319 4.551 482 HB2 LYS 63 2HB LYS 63 7.474 2.796 5.913 483 HB3 LYS 63 3HB LYS 63 8.974 1.999 6.405 484 HG2 LYS 63 2HG LYS 63 9.935 2.446 4.129 485 HG3 LYS 63 3HG LYS 63 8.445 3.286 3.679 486 HD2 LYS 63 2HD LYS 63 8.794 4.899 5.573 487 HD3 LYS 63 3HD LYS 63 10.296 4.066 5.997 488 HE2 LYS 63 2HE LYS 63 11.192 4.559 3.695 489 HE3 LYS 63 3HE LYS 63 9.705 5.443 3.324 490 HZ1 LYS 63 3HZ LYS 63 11.599 6.128 5.481 491 HZ2 LYS 63 1HZ LYS 63 11.448 6.911 4.056 492 HZ3 LYS 63 2HZ LYS 63 10.227 6.944 5.138 493 H VAL 64 H VAL 64 8.701 -1.381 5.967 494 HA VAL 64 HA VAL 64 6.350 -1.838 7.599 495 HB VAL 64 HB VAL 64 8.869 -3.504 7.095 496 HG11 VAL 64 1HG1 VAL 64 7.630 -5.345 8.190 497 HG12 VAL 64 2HG1 VAL 64 7.922 -3.975 9.313 498 HG13 VAL 64 3HG1 VAL 64 6.297 -4.207 8.584 499 HG21 VAL 64 3HG2 VAL 64 7.430 -3.269 5.118 500 HG22 VAL 64 1HG2 VAL 64 7.346 -4.938 5.775 501 HG23 VAL 64 2HG2 VAL 64 6.004 -3.785 6.080 502 H VAL 65 H VAL 65 6.246 -1.245 9.744 503 HA VAL 65 HA VAL 65 8.726 -0.453 11.037 504 HB VAL 65 HB VAL 65 5.793 -0.244 11.886 505 HG11 VAL 65 1HG1 VAL 65 6.628 1.211 13.708 506 HG12 VAL 65 2HG1 VAL 65 7.263 -0.463 13.844 507 HG13 VAL 65 3HG1 VAL 65 8.317 0.849 13.216 508 HG21 VAL 65 3HG2 VAL 65 6.388 1.219 10.003 509 HG22 VAL 65 1HG2 VAL 65 6.124 2.178 11.498 510 HG23 VAL 65 2HG2 VAL 65 7.794 1.853 10.922 511 HA PRO 66 HA PRO 66 8.887 -4.341 13.309 512 HB2 PRO 66 2HB PRO 66 10.880 -3.538 15.062 513 HB3 PRO 66 3HB PRO 66 11.262 -3.972 13.391 514 HG2 PRO 66 2HG PRO 66 10.844 -1.214 14.597 515 HG3 PRO 66 3HG PRO 66 12.120 -1.764 13.503 516 HD2 PRO 66 2HD PRO 66 9.971 -0.384 12.561 517 HD3 PRO 66 3HD PRO 66 10.720 -1.662 11.596 518 H LEU 67 H LEU 67 7.398 -4.983 14.704 519 HA LEU 67 HA LEU 67 6.238 -2.878 16.371 520 HB2 LEU 67 2HB LEU 67 5.307 -5.703 15.660 521 HB3 LEU 67 3HB LEU 67 4.390 -4.538 16.626 522 HG LEU 67 HG LEU 67 5.188 -4.167 13.690 523 HD11 LEU 67 1HD1 LEU 67 2.776 -4.451 13.260 524 HD12 LEU 67 2HD1 LEU 67 3.488 -5.915 14.018 525 HD13 LEU 67 3HD1 LEU 67 2.503 -4.782 15.004 526 HD21 LEU 67 3HD2 LEU 67 5.074 -2.042 14.944 527 HD22 LEU 67 1HD2 LEU 67 3.694 -2.197 13.805 528 HD23 LEU 67 2HD2 LEU 67 3.447 -2.486 15.560 529 H GLU 68 H GLU 68 8.474 -5.528 16.655 530 HA GLU 68 HA GLU 68 8.047 -5.480 19.573 531 HB2 GLU 68 2HB GLU 68 8.731 -7.866 17.789 532 HB3 GLU 68 3HB GLU 68 8.813 -7.880 19.555 533 HG2 GLU 68 2HG GLU 68 6.365 -7.393 19.669 534 HG3 GLU 68 3HG GLU 68 6.287 -7.391 17.902 535 H HIS 69 H HIS 69 9.957 -5.482 20.857 536 HA HIS 69 HA HIS 69 12.487 -5.430 19.362 537 HB2 HIS 69 2HB HIS 69 11.541 -3.362 21.407 538 HB3 HIS 69 3HB HIS 69 13.191 -3.482 20.783 539 HD2 HIS 69 HD2 HIS 69 9.775 -1.951 19.791 540 HE1 HIS 69 HE1 HIS 69 12.417 -1.459 16.459 541 H HIS 70 H HIS 70 14.354 -6.067 20.624 542 HA HIS 70 HA HIS 70 13.585 -7.629 22.977 543 HB2 HIS 70 2HB HIS 70 14.828 -8.707 21.079 544 HB3 HIS 70 3HB HIS 70 16.168 -7.582 21.337 545 HD2 HIS 70 HD2 HIS 70 14.665 -10.834 22.924 546 HE1 HIS 70 HE1 HIS 70 18.203 -9.786 25.096 547 H HIS 71 H HIS 71 14.621 -7.378 25.026 548 HA HIS 71 HA HIS 71 16.707 -5.404 25.299 549 HB2 HIS 71 2HB HIS 71 15.493 -3.993 26.886 550 HB3 HIS 71 3HB HIS 71 14.686 -3.975 25.312 551 HD2 HIS 71 HD2 HIS 71 13.937 -4.913 29.005 552 HE1 HIS 71 HE1 HIS 71 10.515 -5.994 26.669 553 H HIS 72 H HIS 72 17.435 -5.284 27.689 554 HA HIS 72 HA HIS 72 16.518 -7.401 29.397 555 HB2 HIS 72 2HB HIS 72 18.025 -8.596 27.749 556 HB3 HIS 72 3HB HIS 72 19.354 -7.550 28.264 557 HD2 HIS 72 HD2 HIS 72 17.503 -10.759 29.424 558 HE1 HIS 72 HE1 HIS 72 20.326 -9.717 32.468 559 H HIS 73 H HIS 73 17.161 -7.040 31.573 560 HA HIS 73 HA HIS 73 19.348 -5.351 32.220 561 HB2 HIS 73 2HB HIS 73 18.086 -3.477 33.188 562 HB3 HIS 73 3HB HIS 73 17.830 -3.577 31.441 563 HD2 HIS 73 HD2 HIS 73 15.182 -4.088 30.642 564 HE1 HIS 73 HE1 HIS 73 13.539 -4.197 34.593 565 H HIS 74 H HIS 74 19.400 -4.939 34.681 566 HA HIS 74 HA HIS 74 18.050 -7.203 35.997 567 HB2 HIS 74 2HB HIS 74 20.604 -5.679 36.710 568 HB3 HIS 74 3HB HIS 74 19.885 -6.960 37.693 569 HD2 HIS 74 HD2 HIS 74 22.085 -6.554 34.493 570 HE1 HIS 74 HE1 HIS 74 21.454 -10.736 35.154 Start of MODEL 9 1 H1 MET 1 1H MET 1 4.203 10.964 15.022 2 H2 MET 1 2H MET 1 3.123 9.782 14.701 3 H3 MET 1 3H MET 1 4.597 9.403 15.292 4 HA MET 1 HA MET 1 4.195 10.751 12.743 5 HB2 MET 1 2HB MET 1 6.547 9.238 13.975 6 HB3 MET 1 3HB MET 1 6.505 9.857 12.319 7 HG2 MET 1 2HG MET 1 6.383 11.515 14.881 8 HG3 MET 1 3HG MET 1 7.764 11.366 13.787 9 HE1 MET 1 3HE MET 1 6.447 11.618 10.792 10 HE2 MET 1 1HE MET 1 6.778 13.378 10.661 11 HE3 MET 1 2HE MET 1 7.955 12.302 11.487 12 H ALA 2 H ALA 2 4.141 7.625 14.498 13 HA ALA 2 HA ALA 2 4.220 6.015 12.155 14 HB1 ALA 2 3HB ALA 2 3.163 5.481 14.975 15 HB2 ALA 2 1HB ALA 2 3.453 4.238 13.712 16 HB3 ALA 2 2HB ALA 2 4.831 5.171 14.387 17 H MET 3 H MET 3 2.559 5.133 10.897 18 HA MET 3 HA MET 3 -0.171 6.005 11.606 19 HB2 MET 3 2HB MET 3 1.203 6.052 8.878 20 HB3 MET 3 3HB MET 3 -0.534 6.275 9.125 21 HG2 MET 3 2HG MET 3 -0.112 8.308 10.465 22 HG3 MET 3 3HG MET 3 1.634 8.069 10.317 23 HE1 MET 3 3HE MET 3 2.250 7.350 7.261 24 HE2 MET 3 1HE MET 3 2.501 9.047 6.729 25 HE3 MET 3 2HE MET 3 3.040 8.529 8.362 26 H ASN 4 H ASN 4 -1.896 4.604 10.726 27 HA ASN 4 HA ASN 4 -0.869 1.906 10.134 28 HB2 ASN 4 2HB ASN 4 -3.344 2.719 11.706 29 HB3 ASN 4 3HB ASN 4 -2.935 1.064 11.234 30 HD21 ASN 4 1HD2 ASN 4 -2.777 3.298 13.649 31 HD22 ASN 4 2HD2 ASN 4 -1.566 2.546 14.633 32 H GLY 5 H GLY 5 -2.057 0.635 8.564 33 HA2 GLY 5 2HA GLY 5 -4.159 2.130 7.129 34 HA3 GLY 5 3HA GLY 5 -2.770 1.470 6.256 35 H THR 6 H THR 6 -5.127 0.527 5.338 36 HA THR 6 HA THR 6 -4.982 -2.230 6.312 37 HB THR 6 HB THR 6 -7.535 -0.723 5.538 38 HG1 THR 6 HG1 THR 6 -8.090 -1.228 7.780 39 HG21 THR 6 3HG2 THR 6 -7.099 -3.631 6.378 40 HG22 THR 6 1HG2 THR 6 -8.689 -2.840 6.110 41 HG23 THR 6 2HG2 THR 6 -7.551 -3.057 4.738 42 H ILE 7 H ILE 7 -4.596 -3.691 4.644 43 HA ILE 7 HA ILE 7 -5.051 -2.732 1.924 44 HB ILE 7 HB ILE 7 -3.550 -5.127 3.089 45 HG12 ILE 7 2HG1 ILE 7 -2.639 -2.747 1.401 46 HG13 ILE 7 3HG1 ILE 7 -2.459 -2.872 3.156 47 HG21 ILE 7 1HG2 ILE 7 -2.952 -5.713 0.762 48 HG22 ILE 7 2HG2 ILE 7 -4.720 -5.845 1.051 49 HG23 ILE 7 3HG2 ILE 7 -4.059 -4.433 0.160 50 HD11 ILE 7 3HD1 ILE 7 -1.208 -4.747 1.099 51 HD12 ILE 7 1HD1 ILE 7 -0.367 -3.448 2.010 52 HD13 ILE 7 2HD1 ILE 7 -1.025 -4.874 2.881 53 H THR 8 H THR 8 -6.797 -3.441 0.713 54 HA THR 8 HA THR 8 -8.605 -5.249 2.083 55 HB THR 8 HB THR 8 -10.232 -4.534 0.350 56 HG1 THR 8 HG1 THR 8 -9.534 -2.854 -1.159 57 HG21 THR 8 3HG2 THR 8 -8.676 -2.213 1.594 58 HG22 THR 8 1HG2 THR 8 -10.360 -2.139 0.975 59 HG23 THR 8 2HG2 THR 8 -9.969 -3.170 2.392 60 H THR 9 H THR 9 -6.409 -5.162 -0.739 61 HA THR 9 HA THR 9 -6.890 -8.000 -1.029 62 HB THR 9 HB THR 9 -8.464 -6.906 -2.661 63 HG1 THR 9 HG1 THR 9 -6.580 -7.958 -4.438 64 HG21 THR 9 3HG2 THR 9 -5.872 -5.851 -3.895 65 HG22 THR 9 1HG2 THR 9 -7.507 -5.745 -4.630 66 HG23 THR 9 2HG2 THR 9 -7.149 -4.865 -3.106 67 H TRP 10 H TRP 10 -5.004 -9.118 -1.708 68 HA TRP 10 HA TRP 10 -2.838 -7.574 -2.878 69 HB2 TRP 10 2HB TRP 10 -2.487 -7.317 -0.434 70 HB3 TRP 10 3HB TRP 10 -2.576 -9.071 -0.222 71 HD1 TRP 10 HD1 TRP 10 -0.385 -6.566 -2.315 72 HE1 TRP 10 HE1 TRP 10 2.044 -7.452 -2.315 73 HE3 TRP 10 HE3 TRP 10 -1.111 -10.896 0.355 74 HZ2 TRP 10 HZ2 TRP 10 3.465 -9.667 -1.322 75 HZ3 TRP 10 HZ3 TRP 10 0.852 -12.365 0.797 76 HH2 TRP 10 HH2 TRP 10 3.083 -11.769 -0.014 77 H PHE 11 H PHE 11 -1.966 -8.787 -4.513 78 HA PHE 11 HA PHE 11 -2.249 -11.716 -4.273 79 HB2 PHE 11 2HB PHE 11 -2.161 -9.912 -6.740 80 HB3 PHE 11 3HB PHE 11 -2.149 -11.680 -6.784 81 HD1 PHE 11 HD1 PHE 11 -4.155 -12.971 -6.124 82 HD2 PHE 11 HD2 PHE 11 -4.184 -8.677 -6.243 83 HE1 PHE 11 HE1 PHE 11 -6.628 -12.987 -6.089 84 HE2 PHE 11 HE2 PHE 11 -6.660 -8.695 -6.207 85 HZ PHE 11 HZ PHE 11 -7.886 -10.848 -6.130 86 H LYS 12 H LYS 12 -0.299 -12.535 -3.586 87 HA LYS 12 HA LYS 12 2.163 -11.245 -4.001 88 HB2 LYS 12 2HB LYS 12 1.658 -12.920 -2.218 89 HB3 LYS 12 3HB LYS 12 1.529 -14.183 -3.448 90 HG2 LYS 12 2HG LYS 12 3.906 -13.895 -4.048 91 HG3 LYS 12 3HG LYS 12 4.056 -12.545 -2.914 92 HD2 LYS 12 2HD LYS 12 3.492 -14.063 -1.015 93 HD3 LYS 12 3HD LYS 12 3.302 -15.414 -2.139 94 HE2 LYS 12 2HE LYS 12 5.696 -15.135 -2.854 95 HE3 LYS 12 3HE LYS 12 5.878 -13.816 -1.690 96 HZ1 LYS 12 3HZ LYS 12 5.188 -16.604 -1.009 97 HZ2 LYS 12 1HZ LYS 12 6.645 -15.900 -0.793 98 HZ3 LYS 12 2HZ LYS 12 5.356 -15.386 0.066 99 H ASP 13 H ASP 13 0.372 -13.745 -5.918 100 HA ASP 13 HA ASP 13 2.693 -14.373 -7.487 101 HB2 ASP 13 2HB ASP 13 -0.270 -15.078 -7.644 102 HB3 ASP 13 3HB ASP 13 0.899 -15.613 -8.858 103 H LYS 14 H LYS 14 -0.122 -12.146 -7.759 104 HA LYS 14 HA LYS 14 0.457 -11.762 -10.598 105 HB2 LYS 14 2HB LYS 14 -1.788 -10.737 -8.794 106 HB3 LYS 14 3HB LYS 14 -1.659 -10.433 -10.531 107 HG2 LYS 14 2HG LYS 14 -1.795 -12.910 -10.950 108 HG3 LYS 14 3HG LYS 14 -1.994 -13.174 -9.212 109 HD2 LYS 14 2HD LYS 14 -4.052 -11.742 -9.234 110 HD3 LYS 14 3HD LYS 14 -3.855 -11.490 -10.973 111 HE2 LYS 14 2HE LYS 14 -4.050 -13.953 -11.356 112 HE3 LYS 14 3HE LYS 14 -4.236 -14.211 -9.617 113 HZ1 LYS 14 3HZ LYS 14 -6.070 -12.637 -11.308 114 HZ2 LYS 14 1HZ LYS 14 -6.352 -14.138 -10.732 115 HZ3 LYS 14 2HZ LYS 14 -6.242 -12.876 -9.702 116 H GLY 15 H GLY 15 0.898 -10.196 -7.424 117 HA2 GLY 15 2HA GLY 15 2.174 -8.396 -6.941 118 HA3 GLY 15 3HA GLY 15 2.523 -8.183 -8.661 119 H PHE 16 H PHE 16 -0.866 -8.376 -7.477 120 HA PHE 16 HA PHE 16 -1.037 -5.446 -7.802 121 HB2 PHE 16 2HB PHE 16 -3.103 -7.660 -8.221 122 HB3 PHE 16 3HB PHE 16 -3.501 -5.937 -8.189 123 HD1 PHE 16 HD1 PHE 16 -1.426 -8.484 -9.982 124 HD2 PHE 16 HD2 PHE 16 -3.255 -4.600 -10.118 125 HE1 PHE 16 HE1 PHE 16 -0.891 -8.317 -12.393 126 HE2 PHE 16 HE2 PHE 16 -2.725 -4.436 -12.532 127 HZ PHE 16 HZ PHE 16 -1.536 -6.293 -13.671 128 H GLY 17 H GLY 17 -1.656 -4.234 -6.028 129 HA2 GLY 17 2HA GLY 17 -3.268 -5.542 -3.977 130 HA3 GLY 17 3HA GLY 17 -1.668 -4.971 -3.483 131 H PHE 18 H PHE 18 -4.300 -3.993 -2.521 132 HA PHE 18 HA PHE 18 -4.072 -1.208 -3.478 133 HB2 PHE 18 2HB PHE 18 -6.472 -2.790 -2.445 134 HB3 PHE 18 3HB PHE 18 -6.467 -1.030 -2.614 135 HD1 PHE 18 HD1 PHE 18 -4.607 -1.238 -5.214 136 HD2 PHE 18 HD2 PHE 18 -8.349 -2.979 -4.019 137 HE1 PHE 18 HE1 PHE 18 -5.263 -1.463 -7.590 138 HE2 PHE 18 HE2 PHE 18 -9.000 -3.207 -6.395 139 HZ PHE 18 HZ PHE 18 -7.460 -2.445 -8.185 140 H ILE 19 H ILE 19 -4.132 0.477 -1.874 141 HA ILE 19 HA ILE 19 -4.014 -0.508 0.892 142 HB ILE 19 HB ILE 19 -2.355 1.695 -0.435 143 HG12 ILE 19 2HG1 ILE 19 -1.489 -0.812 1.076 144 HG13 ILE 19 3HG1 ILE 19 -1.639 -0.728 -0.684 145 HG21 ILE 19 1HG2 ILE 19 -1.384 2.079 1.807 146 HG22 ILE 19 2HG2 ILE 19 -3.142 2.447 1.768 147 HG23 ILE 19 3HG2 ILE 19 -2.560 0.919 2.511 148 HD11 ILE 19 3HD1 ILE 19 0.208 0.992 1.031 149 HD12 ILE 19 1HD1 ILE 19 0.689 -0.412 0.021 150 HD13 ILE 19 2HD1 ILE 19 0.055 1.077 -0.757 151 H LYS 20 H LYS 20 -5.466 0.484 2.290 152 HA LYS 20 HA LYS 20 -6.703 2.987 1.357 153 HB2 LYS 20 2HB LYS 20 -8.190 1.057 1.934 154 HB3 LYS 20 3HB LYS 20 -7.519 1.045 3.571 155 HG2 LYS 20 2HG LYS 20 -8.388 3.356 3.945 156 HG3 LYS 20 3HG LYS 20 -9.055 3.371 2.307 157 HD2 LYS 20 2HD LYS 20 -10.475 1.382 2.872 158 HD3 LYS 20 3HD LYS 20 -9.815 1.383 4.513 159 HE2 LYS 20 2HE LYS 20 -10.707 3.686 4.879 160 HE3 LYS 20 3HE LYS 20 -11.351 3.704 3.232 161 HZ1 LYS 20 3HZ LYS 20 -12.151 1.814 5.351 162 HZ2 LYS 20 1HZ LYS 20 -13.024 3.091 4.830 163 HZ3 LYS 20 2HZ LYS 20 -12.747 1.830 3.831 164 H ASP 21 H ASP 21 -6.074 4.902 2.288 165 HA ASP 21 HA ASP 21 -4.039 4.683 4.349 166 HB2 ASP 21 2HB ASP 21 -4.004 6.115 2.149 167 HB3 ASP 21 3HB ASP 21 -5.053 7.229 3.037 168 H GLU 22 H GLU 22 -4.057 6.417 6.162 169 HA GLU 22 HA GLU 22 -6.460 6.379 7.619 170 HB2 GLU 22 2HB GLU 22 -3.957 8.120 7.742 171 HB3 GLU 22 3HB GLU 22 -5.285 8.263 8.902 172 HG2 GLU 22 2HG GLU 22 -4.963 5.862 9.544 173 HG3 GLU 22 3HG GLU 22 -3.613 5.750 8.407 174 H ASN 23 H ASN 23 -5.342 8.433 4.953 175 HA ASN 23 HA ASN 23 -7.271 10.498 5.561 176 HB2 ASN 23 2HB ASN 23 -5.385 9.988 3.238 177 HB3 ASN 23 3HB ASN 23 -6.556 11.313 3.255 178 HD21 ASN 23 1HD2 ASN 23 -3.757 11.568 3.078 179 HD22 ASN 23 2HD2 ASN 23 -3.252 12.512 4.440 180 H GLY 24 H GLY 24 -7.359 7.340 4.132 181 HA2 GLY 24 2HA GLY 24 -9.378 6.358 3.574 182 HA3 GLY 24 3HA GLY 24 -10.071 7.946 3.217 183 H ASP 25 H ASP 25 -6.926 7.746 1.825 184 HA ASP 25 HA ASP 25 -8.090 7.674 -0.800 185 HB2 ASP 25 2HB ASP 25 -5.260 7.923 0.300 186 HB3 ASP 25 3HB ASP 25 -5.593 7.823 -1.434 187 H ASN 26 H ASN 26 -8.087 5.997 -2.299 188 HA ASN 26 HA ASN 26 -6.966 3.461 -1.351 189 HB2 ASN 26 2HB ASN 26 -9.345 3.509 -2.012 190 HB3 ASN 26 3HB ASN 26 -8.892 4.075 -3.625 191 HD21 ASN 26 1HD2 ASN 26 -10.377 1.789 -3.158 192 HD22 ASN 26 2HD2 ASN 26 -9.470 0.437 -3.749 193 H ARG 27 H ARG 27 -4.895 3.029 -2.021 194 HA ARG 27 HA ARG 27 -4.101 4.149 -4.624 195 HB2 ARG 27 2HB ARG 27 -2.428 3.492 -2.188 196 HB3 ARG 27 3HB ARG 27 -1.776 3.948 -3.768 197 HG2 ARG 27 2HG ARG 27 -2.953 6.128 -3.629 198 HG3 ARG 27 3HG ARG 27 -3.619 5.673 -2.056 199 HD2 ARG 27 2HD ARG 27 -1.396 5.565 -1.098 200 HD3 ARG 27 3HD ARG 27 -0.667 5.890 -2.677 201 HE ARG 27 HE ARG 27 -1.397 8.147 -2.539 202 HH11 ARG 27 1HH1 ARG 27 -2.274 6.319 0.331 203 HH12 ARG 27 2HH1 ARG 27 -2.498 7.734 1.304 204 HH21 ARG 27 1HH2 ARG 27 -1.700 9.951 -1.285 205 HH22 ARG 27 2HH2 ARG 27 -2.170 9.820 0.377 206 H TYR 28 H TYR 28 -3.162 2.797 -6.204 207 HA TYR 28 HA TYR 28 -3.023 -0.053 -5.513 208 HB2 TYR 28 2HB TYR 28 -4.250 0.313 -7.518 209 HB3 TYR 28 3HB TYR 28 -3.120 1.543 -8.099 210 HD1 TYR 28 HD1 TYR 28 -3.062 -2.096 -7.081 211 HD2 TYR 28 HD2 TYR 28 -1.657 0.921 -9.793 212 HE1 TYR 28 HE1 TYR 28 -1.844 -3.826 -8.367 213 HE2 TYR 28 HE2 TYR 28 -0.439 -0.804 -11.084 214 HH TYR 28 HH TYR 28 -1.036 -4.083 -10.807 215 H PHE 29 H PHE 29 -1.077 -1.152 -5.356 216 HA PHE 29 HA PHE 29 1.341 0.380 -6.051 217 HB2 PHE 29 2HB PHE 29 2.361 -0.189 -3.960 218 HB3 PHE 29 3HB PHE 29 0.785 0.518 -3.580 219 HD1 PHE 29 HD1 PHE 29 -1.061 -0.888 -2.751 220 HD2 PHE 29 HD2 PHE 29 2.823 -2.536 -3.546 221 HE1 PHE 29 HE1 PHE 29 -1.646 -2.903 -1.432 222 HE2 PHE 29 HE2 PHE 29 2.239 -4.554 -2.233 223 HZ PHE 29 HZ PHE 29 -0.000 -4.741 -1.177 224 H HIS 30 H HIS 30 3.285 -1.018 -6.372 225 HA HIS 30 HA HIS 30 2.518 -3.771 -7.079 226 HB2 HIS 30 2HB HIS 30 4.994 -2.178 -7.895 227 HB3 HIS 30 3HB HIS 30 4.505 -3.766 -8.502 228 HD2 HIS 30 HD2 HIS 30 2.910 -3.673 -10.743 229 HE1 HIS 30 HE1 HIS 30 1.913 0.485 -10.546 230 H VAL 31 H VAL 31 3.813 -5.556 -6.338 231 HA VAL 31 HA VAL 31 4.812 -5.319 -3.760 232 HB VAL 31 HB VAL 31 5.773 -7.594 -4.167 233 HG11 VAL 31 1HG1 VAL 31 3.633 -8.721 -4.689 234 HG12 VAL 31 2HG1 VAL 31 3.406 -7.345 -3.558 235 HG13 VAL 31 3HG1 VAL 31 2.966 -7.166 -5.290 236 HG21 VAL 31 3HG2 VAL 31 6.539 -7.261 -6.477 237 HG22 VAL 31 1HG2 VAL 31 5.435 -8.673 -6.368 238 HG23 VAL 31 2HG2 VAL 31 4.838 -7.116 -7.035 239 H ILE 32 H ILE 32 6.339 -4.650 -6.893 240 HA ILE 32 HA ILE 32 9.005 -4.898 -5.909 241 HB ILE 32 HB ILE 32 9.628 -3.788 -8.033 242 HG12 ILE 32 2HG1 ILE 32 6.623 -3.523 -8.520 243 HG13 ILE 32 3HG1 ILE 32 7.670 -2.189 -8.020 244 HG21 ILE 32 1HG2 ILE 32 8.669 -5.452 -9.592 245 HG22 ILE 32 2HG2 ILE 32 9.173 -6.203 -8.040 246 HG23 ILE 32 3HG2 ILE 32 7.434 -5.887 -8.362 247 HD11 ILE 32 3HD1 ILE 32 7.952 -3.807 -10.591 248 HD12 ILE 32 1HD1 ILE 32 7.282 -2.148 -10.442 249 HD13 ILE 32 2HD1 ILE 32 9.015 -2.452 -10.083 250 H LYS 33 H LYS 33 6.468 -2.488 -5.626 251 HA LYS 33 HA LYS 33 8.407 -0.360 -5.113 252 HB2 LYS 33 2HB LYS 33 5.350 -0.387 -5.127 253 HB3 LYS 33 3HB LYS 33 6.363 1.044 -4.895 254 HG2 LYS 33 2HG LYS 33 6.308 -0.691 -7.416 255 HG3 LYS 33 3HG LYS 33 5.472 0.855 -7.217 256 HD2 LYS 33 2HD LYS 33 7.664 1.993 -6.814 257 HD3 LYS 33 3HD LYS 33 8.503 0.448 -7.004 258 HE2 LYS 33 2HE LYS 33 7.515 0.264 -9.337 259 HE3 LYS 33 3HE LYS 33 6.832 1.882 -9.132 260 HZ1 LYS 33 3HZ LYS 33 9.705 1.221 -9.018 261 HZ2 LYS 33 1HZ LYS 33 8.940 1.948 -10.264 262 HZ3 LYS 33 2HZ LYS 33 9.075 2.715 -8.829 263 H VAL 34 H VAL 34 7.512 -2.974 -3.370 264 HA VAL 34 HA VAL 34 6.958 -1.443 -0.933 265 HB VAL 34 HB VAL 34 6.711 -4.441 -1.508 266 HG11 VAL 34 1HG1 VAL 34 5.541 -4.529 0.671 267 HG12 VAL 34 2HG1 VAL 34 7.241 -3.976 0.847 268 HG13 VAL 34 3HG1 VAL 34 5.897 -2.787 0.927 269 HG21 VAL 34 3HG2 VAL 34 5.040 -3.112 -2.725 270 HG22 VAL 34 1HG2 VAL 34 4.274 -4.031 -1.386 271 HG23 VAL 34 2HG2 VAL 34 4.583 -2.272 -1.205 272 H ALA 35 H ALA 35 8.352 -1.587 0.889 273 HA ALA 35 HA ALA 35 11.053 -2.267 0.314 274 HB1 ALA 35 3HB ALA 35 9.619 -1.595 2.930 275 HB2 ALA 35 1HB ALA 35 11.399 -1.659 2.696 276 HB3 ALA 35 2HB ALA 35 10.422 -0.428 1.825 277 H ASN 36 H ASN 36 8.425 -3.832 2.298 278 HA ASN 36 HA ASN 36 9.994 -6.297 2.043 279 HB2 ASN 36 2HB ASN 36 8.641 -5.256 4.559 280 HB3 ASN 36 3HB ASN 36 9.172 -6.928 4.340 281 HD21 ASN 36 1HD2 ASN 36 10.036 -3.795 5.255 282 HD22 ASN 36 2HD2 ASN 36 11.718 -4.090 5.545 283 HA PRO 37 HA PRO 37 5.651 -6.756 0.495 284 HB2 PRO 37 2HB PRO 37 6.408 -8.401 -1.635 285 HB3 PRO 37 3HB PRO 37 6.417 -6.638 -1.770 286 HG2 PRO 37 2HG PRO 37 8.724 -8.516 -1.157 287 HG3 PRO 37 3HG PRO 37 8.677 -7.143 -2.270 288 HD2 PRO 37 2HD PRO 37 9.795 -6.868 0.182 289 HD3 PRO 37 3HD PRO 37 8.859 -5.540 -0.517 290 H ASP 38 H ASP 38 8.162 -9.003 1.533 291 HA ASP 38 HA ASP 38 6.475 -11.287 1.545 292 HB2 ASP 38 2HB ASP 38 9.014 -10.493 3.038 293 HB3 ASP 38 3HB ASP 38 8.211 -12.047 3.297 294 H LEU 39 H LEU 39 6.791 -8.440 3.661 295 HA LEU 39 HA LEU 39 5.487 -9.880 5.858 296 HB2 LEU 39 2HB LEU 39 6.723 -7.090 5.667 297 HB3 LEU 39 3HB LEU 39 6.028 -7.800 7.130 298 HG LEU 39 HG LEU 39 8.467 -8.889 5.624 299 HD11 LEU 39 1HD1 LEU 39 9.723 -8.092 7.593 300 HD12 LEU 39 2HD1 LEU 39 8.902 -6.739 6.745 301 HD13 LEU 39 3HD1 LEU 39 8.217 -7.388 8.273 302 HD21 LEU 39 3HD2 LEU 39 7.140 -10.647 6.739 303 HD22 LEU 39 1HD2 LEU 39 8.694 -10.366 7.595 304 HD23 LEU 39 2HD2 LEU 39 7.165 -9.705 8.267 305 H ILE 40 H ILE 40 4.585 -8.099 3.092 306 HA ILE 40 HA ILE 40 2.624 -6.412 4.119 307 HB ILE 40 HB ILE 40 2.939 -7.878 1.461 308 HG12 ILE 40 2HG1 ILE 40 4.561 -6.084 2.002 309 HG13 ILE 40 3HG1 ILE 40 3.545 -5.683 0.611 310 HG21 ILE 40 1HG2 ILE 40 1.132 -6.441 0.575 311 HG22 ILE 40 2HG2 ILE 40 0.536 -7.553 1.853 312 HG23 ILE 40 3HG2 ILE 40 0.818 -5.820 2.230 313 HD11 ILE 40 3HD1 ILE 40 3.154 -4.655 3.458 314 HD12 ILE 40 1HD1 ILE 40 3.845 -3.738 2.076 315 HD13 ILE 40 2HD1 ILE 40 2.123 -4.248 2.045 316 H LYS 41 H LYS 41 0.604 -6.789 5.006 317 HA LYS 41 HA LYS 41 -0.612 -9.416 4.452 318 HB2 LYS 41 2HB LYS 41 -0.588 -7.855 7.080 319 HB3 LYS 41 3HB LYS 41 -1.551 -9.305 6.770 320 HG2 LYS 41 2HG LYS 41 1.502 -9.229 6.611 321 HG3 LYS 41 3HG LYS 41 0.600 -9.687 8.062 322 HD2 LYS 41 2HD LYS 41 -0.559 -11.496 6.712 323 HD3 LYS 41 3HD LYS 41 0.465 -11.077 5.333 324 HE2 LYS 41 2HE LYS 41 2.504 -11.568 6.707 325 HE3 LYS 41 3HE LYS 41 1.471 -12.005 8.075 326 HZ1 LYS 41 3HZ LYS 41 1.489 -13.363 5.455 327 HZ2 LYS 41 1HZ LYS 41 2.155 -13.933 6.832 328 HZ3 LYS 41 2HZ LYS 41 0.535 -13.766 6.717 329 H LYS 42 H LYS 42 -3.108 -9.269 5.171 330 HA LYS 42 HA LYS 42 -4.311 -7.155 3.721 331 HB2 LYS 42 2HB LYS 42 -5.379 -9.222 5.699 332 HB3 LYS 42 3HB LYS 42 -6.413 -8.082 4.828 333 HG2 LYS 42 2HG LYS 42 -5.600 -9.025 2.652 334 HG3 LYS 42 3HG LYS 42 -4.598 -10.181 3.538 335 HD2 LYS 42 2HD LYS 42 -6.655 -11.097 4.651 336 HD3 LYS 42 3HD LYS 42 -7.649 -9.955 3.736 337 HE2 LYS 42 2HE LYS 42 -6.834 -10.954 1.595 338 HE3 LYS 42 3HE LYS 42 -5.828 -12.090 2.504 339 HZ1 LYS 42 3HZ LYS 42 -8.771 -11.930 2.651 340 HZ2 LYS 42 1HZ LYS 42 -7.913 -13.074 1.862 341 HZ3 LYS 42 2HZ LYS 42 -7.842 -12.979 3.490 342 H ASP 43 H ASP 43 -5.098 -7.922 7.192 343 HA ASP 43 HA ASP 43 -5.636 -5.102 7.569 344 HB2 ASP 43 2HB ASP 43 -5.987 -7.608 9.276 345 HB3 ASP 43 3HB ASP 43 -6.338 -5.982 9.878 346 H ALA 44 H ALA 44 -2.932 -7.287 8.075 347 HA ALA 44 HA ALA 44 -2.215 -6.073 10.617 348 HB1 ALA 44 3HB ALA 44 -0.968 -8.321 8.960 349 HB2 ALA 44 1HB ALA 44 -0.456 -7.827 10.609 350 HB3 ALA 44 2HB ALA 44 -2.093 -8.518 10.346 351 H ALA 45 H ALA 45 -1.570 -5.541 7.239 352 HA ALA 45 HA ALA 45 1.061 -4.451 7.639 353 HB1 ALA 45 3HB ALA 45 -0.972 -4.175 5.372 354 HB2 ALA 45 1HB ALA 45 0.738 -3.630 5.319 355 HB3 ALA 45 2HB ALA 45 0.358 -5.378 5.470 356 H VAL 46 H VAL 46 1.509 -2.072 7.042 357 HA VAL 46 HA VAL 46 -0.659 -0.395 8.105 358 HB VAL 46 HB VAL 46 1.092 1.056 9.111 359 HG11 VAL 46 1HG1 VAL 46 1.736 -0.453 10.966 360 HG12 VAL 46 2HG1 VAL 46 0.020 -0.677 10.486 361 HG13 VAL 46 3HG1 VAL 46 1.260 -1.871 9.972 362 HG21 VAL 46 3HG2 VAL 46 2.945 0.510 7.590 363 HG22 VAL 46 1HG2 VAL 46 3.418 0.231 9.300 364 HG23 VAL 46 2HG2 VAL 46 3.005 -1.162 8.244 365 H THR 47 H THR 47 -0.312 2.024 7.453 366 HA THR 47 HA THR 47 0.133 2.053 4.618 367 HB THR 47 HB THR 47 -1.735 3.299 5.806 368 HG1 THR 47 HG1 THR 47 -1.675 4.594 4.090 369 HG21 THR 47 3HG2 THR 47 0.575 5.108 6.667 370 HG22 THR 47 1HG2 THR 47 -1.173 5.469 6.862 371 HG23 THR 47 2HG2 THR 47 -0.436 4.092 7.749 372 H PHE 48 H PHE 48 1.137 4.875 4.452 373 HA PHE 48 HA PHE 48 3.925 4.454 5.039 374 HB2 PHE 48 2HB PHE 48 4.626 3.892 2.810 375 HB3 PHE 48 3HB PHE 48 3.418 2.699 3.307 376 HD1 PHE 48 HD1 PHE 48 0.963 3.115 2.541 377 HD2 PHE 48 HD2 PHE 48 4.373 5.064 0.798 378 HE1 PHE 48 HE1 PHE 48 -0.357 3.606 0.505 379 HE2 PHE 48 HE2 PHE 48 3.049 5.555 -1.237 380 HZ PHE 48 HZ PHE 48 0.683 4.832 -1.385 381 H GLU 49 H GLU 49 5.222 5.985 3.294 382 HA GLU 49 HA GLU 49 4.445 8.569 3.921 383 HB2 GLU 49 2HB GLU 49 6.224 7.437 1.714 384 HB3 GLU 49 3HB GLU 49 6.056 9.170 2.021 385 HG2 GLU 49 2HG GLU 49 6.913 8.855 4.336 386 HG3 GLU 49 3HG GLU 49 7.056 7.115 4.055 387 HA PRO 50 HA PRO 50 1.109 9.323 1.218 388 HB2 PRO 50 2HB PRO 50 1.156 12.121 1.296 389 HB3 PRO 50 3HB PRO 50 0.582 11.156 2.662 390 HG2 PRO 50 2HG PRO 50 3.321 12.387 2.214 391 HG3 PRO 50 3HG PRO 50 2.333 12.381 3.681 392 HD2 PRO 50 2HD PRO 50 4.382 10.632 3.419 393 HD3 PRO 50 3HD PRO 50 2.882 10.122 4.204 394 H THR 51 H THR 51 0.511 9.734 -0.878 395 HA THR 51 HA THR 51 2.264 11.279 -2.534 396 HB THR 51 HB THR 51 3.464 9.109 -2.534 397 HG1 THR 51 HG1 THR 51 3.359 8.783 -4.873 398 HG21 THR 51 3HG2 THR 51 0.824 7.979 -3.585 399 HG22 THR 51 1HG2 THR 51 2.382 7.092 -3.480 400 HG23 THR 51 2HG2 THR 51 1.560 7.641 -1.981 401 H THR 52 H THR 52 1.307 11.651 -4.714 402 HA THR 52 HA THR 52 -1.333 10.573 -5.143 403 HB THR 52 HB THR 52 -1.766 12.510 -3.634 404 HG1 THR 52 HG1 THR 52 -3.244 13.597 -5.125 405 HG21 THR 52 3HG2 THR 52 -0.433 14.130 -5.861 406 HG22 THR 52 1HG2 THR 52 -1.294 14.808 -4.438 407 HG23 THR 52 2HG2 THR 52 0.218 13.865 -4.209 408 H ASN 53 H ASN 53 -2.065 10.891 -7.364 409 HA ASN 53 HA ASN 53 -0.158 12.304 -9.088 410 HB2 ASN 53 2HB ASN 53 0.222 9.767 -9.030 411 HB3 ASN 53 3HB ASN 53 -1.356 9.613 -9.813 412 HD21 ASN 53 1HD2 ASN 53 -0.177 8.604 -11.517 413 HD22 ASN 53 2HD2 ASN 53 0.520 9.589 -12.759 414 H ASN 54 H ASN 54 -1.109 13.026 -11.158 415 HA ASN 54 HA ASN 54 -3.801 13.882 -10.729 416 HB2 ASN 54 2HB ASN 54 -1.806 14.244 -12.989 417 HB3 ASN 54 3HB ASN 54 -3.454 14.883 -13.054 418 HD21 ASN 54 1HD2 ASN 54 -1.159 16.442 -13.201 419 HD22 ASN 54 2HD2 ASN 54 -1.171 17.522 -11.847 420 H LYS 55 H LYS 55 -2.256 11.160 -12.375 421 HA LYS 55 HA LYS 55 -4.532 10.726 -14.122 422 HB2 LYS 55 2HB LYS 55 -1.984 9.142 -13.547 423 HB3 LYS 55 3HB LYS 55 -3.218 8.648 -14.714 424 HG2 LYS 55 2HG LYS 55 -2.830 10.740 -16.016 425 HG3 LYS 55 3HG LYS 55 -1.605 11.246 -14.845 426 HD2 LYS 55 2HD LYS 55 -0.259 9.205 -15.357 427 HD3 LYS 55 3HD LYS 55 -1.490 8.675 -16.511 428 HE2 LYS 55 2HE LYS 55 -1.132 10.763 -17.848 429 HE3 LYS 55 3HE LYS 55 0.107 11.283 -16.698 430 HZ1 LYS 55 3HZ LYS 55 0.227 8.832 -18.334 431 HZ2 LYS 55 1HZ LYS 55 1.068 10.204 -18.605 432 HZ3 LYS 55 2HZ LYS 55 1.371 9.311 -17.273 433 H GLY 56 H GLY 56 -3.601 9.951 -10.827 434 HA2 GLY 56 2HA GLY 56 -5.913 9.080 -9.930 435 HA3 GLY 56 3HA GLY 56 -5.380 7.624 -10.780 436 H LEU 57 H LEU 57 -5.811 7.488 -8.016 437 HA LEU 57 HA LEU 57 -3.452 8.122 -6.539 438 HB2 LEU 57 2HB LEU 57 -5.893 6.367 -5.986 439 HB3 LEU 57 3HB LEU 57 -4.611 6.659 -4.802 440 HG LEU 57 HG LEU 57 -6.311 8.870 -6.068 441 HD11 LEU 57 1HD1 LEU 57 -7.472 8.935 -3.888 442 HD12 LEU 57 2HD1 LEU 57 -7.689 7.349 -4.703 443 HD13 LEU 57 3HD1 LEU 57 -6.529 7.508 -3.341 444 HD21 LEU 57 3HD2 LEU 57 -4.078 9.585 -5.297 445 HD22 LEU 57 1HD2 LEU 57 -5.369 10.232 -4.231 446 HD23 LEU 57 2HD2 LEU 57 -4.383 8.830 -3.696 447 H SER 58 H SER 58 -1.581 6.969 -6.304 448 HA SER 58 HA SER 58 -1.724 4.063 -6.520 449 HB2 SER 58 2HB SER 58 0.146 3.960 -8.085 450 HB3 SER 58 3HB SER 58 -1.219 4.815 -8.817 451 HG SER 58 HG SER 58 1.224 5.894 -7.763 452 H ALA 59 H ALA 59 0.508 3.087 -5.845 453 HA ALA 59 HA ALA 59 1.355 4.734 -3.545 454 HB1 ALA 59 3HB ALA 59 0.741 1.742 -3.685 455 HB2 ALA 59 1HB ALA 59 1.391 2.613 -2.256 456 HB3 ALA 59 2HB ALA 59 -0.252 2.996 -2.870 457 H TYR 60 H TYR 60 3.550 4.817 -3.097 458 HA TYR 60 HA TYR 60 5.267 2.868 -4.456 459 HB2 TYR 60 2HB TYR 60 5.756 5.883 -4.495 460 HB3 TYR 60 3HB TYR 60 6.759 4.631 -5.240 461 HD1 TYR 60 HD1 TYR 60 5.886 3.353 -7.227 462 HD2 TYR 60 HD2 TYR 60 3.798 6.734 -5.603 463 HE1 TYR 60 HE1 TYR 60 4.590 3.556 -9.326 464 HE2 TYR 60 HE2 TYR 60 2.497 6.942 -7.698 465 HH TYR 60 HH TYR 60 1.801 5.603 -9.581 466 H ALA 61 H ALA 61 7.440 2.709 -3.470 467 HA ALA 61 HA ALA 61 8.757 2.486 -1.692 468 HB1 ALA 61 3HB ALA 61 7.811 5.352 -1.184 469 HB2 ALA 61 1HB ALA 61 9.250 4.577 -0.441 470 HB3 ALA 61 2HB ALA 61 9.196 4.856 -2.214 471 H VAL 62 H VAL 62 6.527 1.071 -1.144 472 HA VAL 62 HA VAL 62 5.125 2.100 1.121 473 HB VAL 62 HB VAL 62 5.185 -0.662 -0.197 474 HG11 VAL 62 1HG1 VAL 62 3.108 -1.103 1.076 475 HG12 VAL 62 2HG1 VAL 62 4.513 -0.833 2.162 476 HG13 VAL 62 3HG1 VAL 62 3.299 0.469 1.923 477 HG21 VAL 62 3HG2 VAL 62 4.308 1.118 -1.646 478 HG22 VAL 62 1HG2 VAL 62 2.991 0.018 -1.115 479 HG23 VAL 62 2HG2 VAL 62 3.176 1.632 -0.350 480 H LYS 63 H LYS 63 5.443 1.637 3.318 481 HA LYS 63 HA LYS 63 7.868 0.049 3.877 482 HB2 LYS 63 2HB LYS 63 6.813 2.592 5.201 483 HB3 LYS 63 3HB LYS 63 8.160 1.627 5.819 484 HG2 LYS 63 2HG LYS 63 9.424 2.052 3.699 485 HG3 LYS 63 3HG LYS 63 8.081 3.036 3.103 486 HD2 LYS 63 2HD LYS 63 8.337 4.545 5.110 487 HD3 LYS 63 3HD LYS 63 9.729 3.585 5.628 488 HE2 LYS 63 2HE LYS 63 10.895 4.111 3.479 489 HE3 LYS 63 3HE LYS 63 9.501 5.064 2.954 490 HZ1 LYS 63 3HZ LYS 63 11.595 6.015 4.338 491 HZ2 LYS 63 1HZ LYS 63 10.145 6.754 4.221 492 HZ3 LYS 63 2HZ LYS 63 10.488 5.832 5.524 493 H VAL 64 H VAL 64 7.600 -1.669 5.253 494 HA VAL 64 HA VAL 64 5.022 -1.854 6.603 495 HB VAL 64 HB VAL 64 7.232 -3.920 6.136 496 HG11 VAL 64 1HG1 VAL 64 5.564 -5.569 6.932 497 HG12 VAL 64 2HG1 VAL 64 5.984 -4.375 8.206 498 HG13 VAL 64 3HG1 VAL 64 4.430 -4.230 7.316 499 HG21 VAL 64 3HG2 VAL 64 6.074 -3.258 4.071 500 HG22 VAL 64 1HG2 VAL 64 5.616 -4.926 4.553 501 HG23 VAL 64 2HG2 VAL 64 4.485 -3.563 4.849 502 H VAL 65 H VAL 65 4.837 -1.556 8.813 503 HA VAL 65 HA VAL 65 7.358 -1.347 10.290 504 HB VAL 65 HB VAL 65 4.553 -0.279 10.895 505 HG11 VAL 65 1HG1 VAL 65 5.624 0.882 12.801 506 HG12 VAL 65 2HG1 VAL 65 5.730 -0.904 12.961 507 HG13 VAL 65 3HG1 VAL 65 7.168 0.038 12.442 508 HG21 VAL 65 3HG2 VAL 65 5.702 0.930 9.089 509 HG22 VAL 65 1HG2 VAL 65 5.608 1.938 10.573 510 HG23 VAL 65 2HG2 VAL 65 7.152 1.133 10.130 511 HA PRO 66 HA PRO 66 6.199 -5.140 12.397 512 HB2 PRO 66 2HB PRO 66 8.134 -4.938 14.391 513 HB3 PRO 66 3HB PRO 66 8.552 -5.458 12.754 514 HG2 PRO 66 2HG PRO 66 8.794 -2.696 13.998 515 HG3 PRO 66 3HG PRO 66 9.973 -3.577 13.017 516 HD2 PRO 66 2HD PRO 66 8.422 -1.649 11.901 517 HD3 PRO 66 3HD PRO 66 8.842 -3.100 10.982 518 H LEU 67 H LEU 67 4.529 -5.482 13.683 519 HA LEU 67 HA LEU 67 3.847 -3.273 15.499 520 HB2 LEU 67 2HB LEU 67 2.195 -5.587 14.373 521 HB3 LEU 67 3HB LEU 67 1.583 -4.323 15.447 522 HG LEU 67 HG LEU 67 2.689 -3.866 12.626 523 HD11 LEU 67 1HD1 LEU 67 0.338 -3.368 12.059 524 HD12 LEU 67 2HD1 LEU 67 0.532 -5.056 12.641 525 HD13 LEU 67 3HD1 LEU 67 -0.159 -3.806 13.729 526 HD21 LEU 67 3HD2 LEU 67 3.094 -1.965 14.148 527 HD22 LEU 67 1HD2 LEU 67 1.825 -1.569 12.940 528 HD23 LEU 67 2HD2 LEU 67 1.363 -1.974 14.628 529 H GLU 68 H GLU 68 5.246 -6.440 15.525 530 HA GLU 68 HA GLU 68 4.589 -6.636 18.392 531 HB2 GLU 68 2HB GLU 68 4.802 -8.883 16.330 532 HB3 GLU 68 3HB GLU 68 4.717 -9.132 18.079 533 HG2 GLU 68 2HG GLU 68 2.473 -8.026 18.119 534 HG3 GLU 68 3HG GLU 68 2.559 -7.802 16.367 535 H HIS 69 H HIS 69 6.315 -7.281 19.767 536 HA HIS 69 HA HIS 69 8.899 -7.711 18.447 537 HB2 HIS 69 2HB HIS 69 8.327 -5.654 20.639 538 HB3 HIS 69 3HB HIS 69 9.938 -6.115 20.074 539 HD2 HIS 69 HD2 HIS 69 7.068 -3.704 19.122 540 HE1 HIS 69 HE1 HIS 69 9.934 -3.593 15.943 541 H HIS 70 H HIS 70 10.466 -8.851 19.787 542 HA HIS 70 HA HIS 70 9.142 -10.319 21.960 543 HB2 HIS 70 2HB HIS 70 10.091 -11.602 20.024 544 HB3 HIS 70 3HB HIS 70 11.689 -10.931 20.379 545 HD2 HIS 70 HD2 HIS 70 9.239 -13.672 21.750 546 HE1 HIS 70 HE1 HIS 70 12.875 -13.857 24.002 547 H HIS 71 H HIS 71 10.115 -10.501 24.044 548 HA HIS 71 HA HIS 71 12.671 -9.212 24.485 549 HB2 HIS 71 2HB HIS 71 11.842 -7.672 26.187 550 HB3 HIS 71 3HB HIS 71 11.085 -7.313 24.630 551 HD2 HIS 71 HD2 HIS 71 8.296 -7.606 24.554 552 HE1 HIS 71 HE1 HIS 71 7.857 -8.843 28.629 553 H HIS 72 H HIS 72 13.198 -9.382 26.998 554 HA HIS 72 HA HIS 72 11.757 -11.437 28.389 555 HB2 HIS 72 2HB HIS 72 13.184 -12.733 26.744 556 HB3 HIS 72 3HB HIS 72 14.620 -12.002 27.474 557 HD2 HIS 72 HD2 HIS 72 12.157 -14.929 28.107 558 HE1 HIS 72 HE1 HIS 72 14.762 -14.682 31.494 559 H HIS 73 H HIS 73 12.176 -11.338 30.629 560 HA HIS 73 HA HIS 73 14.561 -10.219 31.666 561 HB2 HIS 73 2HB HIS 73 13.638 -8.162 32.626 562 HB3 HIS 73 3HB HIS 73 13.566 -8.108 30.859 563 HD2 HIS 73 HD2 HIS 73 10.978 -7.976 29.764 564 HE1 HIS 73 HE1 HIS 73 8.918 -7.895 33.515 565 H HIS 74 H HIS 74 14.415 -10.028 34.128 566 HA HIS 74 HA HIS 74 12.467 -12.011 35.083 567 HB2 HIS 74 2HB HIS 74 15.094 -10.992 36.276 568 HB3 HIS 74 3HB HIS 74 14.031 -12.184 37.035 569 HD2 HIS 74 HD2 HIS 74 16.817 -12.007 34.337 570 HE1 HIS 74 HE1 HIS 74 15.297 -16.010 34.371 Start of MODEL 10 1 H1 MET 1 1H MET 1 6.107 12.390 8.557 2 H2 MET 1 2H MET 1 5.136 11.142 8.964 3 H3 MET 1 3H MET 1 6.628 10.854 8.368 4 HA MET 1 HA MET 1 4.542 12.244 6.887 5 HB2 MET 1 2HB MET 1 7.170 10.918 6.068 6 HB3 MET 1 3HB MET 1 5.979 11.575 4.937 7 HG2 MET 1 2HG MET 1 7.558 13.146 7.026 8 HG3 MET 1 3HG MET 1 7.825 13.154 5.278 9 HE1 MET 1 3HE MET 1 4.795 13.379 4.008 10 HE2 MET 1 1HE MET 1 4.895 15.162 3.826 11 HE3 MET 1 2HE MET 1 6.351 14.148 3.549 12 H ALA 2 H ALA 2 5.848 9.077 7.944 13 HA ALA 2 HA ALA 2 4.413 7.525 6.063 14 HB1 ALA 2 3HB ALA 2 5.469 6.876 8.859 15 HB2 ALA 2 1HB ALA 2 4.912 5.675 7.645 16 HB3 ALA 2 2HB ALA 2 6.362 6.683 7.313 17 H MET 3 H MET 3 2.421 6.385 6.251 18 HA MET 3 HA MET 3 0.749 7.188 8.541 19 HB2 MET 3 2HB MET 3 0.002 7.208 5.578 20 HB3 MET 3 3HB MET 3 -1.149 7.392 6.908 21 HG2 MET 3 2HG MET 3 0.107 9.449 7.650 22 HG3 MET 3 3HG MET 3 1.152 9.283 6.233 23 HE1 MET 3 3HE MET 3 -2.213 10.158 7.712 24 HE2 MET 3 1HE MET 3 -3.255 10.635 6.329 25 HE3 MET 3 2HE MET 3 -2.928 8.899 6.650 26 H ASN 4 H ASN 4 -1.192 5.719 8.817 27 HA ASN 4 HA ASN 4 -0.315 2.993 8.231 28 HB2 ASN 4 2HB ASN 4 -2.471 4.014 10.119 29 HB3 ASN 4 3HB ASN 4 -1.918 2.341 9.965 30 HD21 ASN 4 1HD2 ASN 4 -1.628 5.135 11.688 31 HD22 ASN 4 2HD2 ASN 4 -0.155 4.781 12.527 32 H GLY 5 H GLY 5 -1.858 1.365 7.418 33 HA2 GLY 5 2HA GLY 5 -4.425 2.324 6.473 34 HA3 GLY 5 3HA GLY 5 -3.253 1.961 5.200 35 H THR 6 H THR 6 -5.562 0.459 5.187 36 HA THR 6 HA THR 6 -4.501 -2.130 6.074 37 HB THR 6 HB THR 6 -7.421 -1.201 6.129 38 HG1 THR 6 HG1 THR 6 -7.138 -1.625 8.437 39 HG21 THR 6 3HG2 THR 6 -6.170 -3.903 6.825 40 HG22 THR 6 1HG2 THR 6 -7.890 -3.444 7.068 41 HG23 THR 6 2HG2 THR 6 -7.215 -3.551 5.407 42 H ILE 7 H ILE 7 -4.657 -3.819 4.534 43 HA ILE 7 HA ILE 7 -5.213 -2.837 1.865 44 HB ILE 7 HB ILE 7 -3.889 -5.360 2.973 45 HG12 ILE 7 2HG1 ILE 7 -2.818 -3.049 1.287 46 HG13 ILE 7 3HG1 ILE 7 -2.624 -3.197 3.038 47 HG21 ILE 7 1HG2 ILE 7 -3.386 -5.964 0.627 48 HG22 ILE 7 2HG2 ILE 7 -5.152 -5.957 0.951 49 HG23 ILE 7 3HG2 ILE 7 -4.397 -4.592 0.061 50 HD11 ILE 7 3HD1 ILE 7 -1.556 -5.154 0.955 51 HD12 ILE 7 1HD1 ILE 7 -0.602 -3.929 1.859 52 HD13 ILE 7 2HD1 ILE 7 -1.358 -5.304 2.734 53 H THR 8 H THR 8 -7.077 -3.317 0.740 54 HA THR 8 HA THR 8 -8.784 -5.402 1.871 55 HB THR 8 HB THR 8 -10.568 -4.397 0.477 56 HG1 THR 8 HG1 THR 8 -10.057 -2.397 -0.671 57 HG21 THR 8 3HG2 THR 8 -8.985 -2.327 2.080 58 HG22 THR 8 1HG2 THR 8 -10.717 -2.204 1.624 59 HG23 THR 8 2HG2 THR 8 -10.173 -3.499 2.743 60 H THR 9 H THR 9 -6.651 -4.687 -0.852 61 HA THR 9 HA THR 9 -7.478 -7.225 -2.035 62 HB THR 9 HB THR 9 -7.040 -4.622 -3.591 63 HG1 THR 9 HG1 THR 9 -9.299 -4.996 -4.178 64 HG21 THR 9 3HG2 THR 9 -7.697 -7.452 -4.548 65 HG22 THR 9 1HG2 THR 9 -7.622 -5.983 -5.579 66 HG23 THR 9 2HG2 THR 9 -6.137 -6.591 -4.773 67 H TRP 10 H TRP 10 -5.717 -8.498 -2.639 68 HA TRP 10 HA TRP 10 -3.150 -7.159 -3.059 69 HB2 TRP 10 2HB TRP 10 -3.282 -7.782 -0.633 70 HB3 TRP 10 3HB TRP 10 -3.598 -9.460 -1.092 71 HD1 TRP 10 HD1 TRP 10 -0.969 -7.439 -3.064 72 HE1 TRP 10 HE1 TRP 10 1.374 -8.421 -2.575 73 HE3 TRP 10 HE3 TRP 10 -2.237 -10.705 0.695 74 HZ2 TRP 10 HZ2 TRP 10 2.531 -10.307 -0.838 75 HZ3 TRP 10 HZ3 TRP 10 -0.441 -12.080 1.735 76 HH2 TRP 10 HH2 TRP 10 1.884 -11.888 0.993 77 H PHE 11 H PHE 11 -2.398 -7.888 -5.007 78 HA PHE 11 HA PHE 11 -3.026 -10.687 -5.701 79 HB2 PHE 11 2HB PHE 11 -2.609 -8.198 -7.420 80 HB3 PHE 11 3HB PHE 11 -2.577 -9.839 -8.080 81 HD1 PHE 11 HD1 PHE 11 -4.804 -10.733 -5.923 82 HD2 PHE 11 HD2 PHE 11 -4.506 -7.656 -8.907 83 HE1 PHE 11 HE1 PHE 11 -7.270 -10.695 -6.132 84 HE2 PHE 11 HE2 PHE 11 -6.972 -7.616 -9.111 85 HZ PHE 11 HZ PHE 11 -8.359 -9.139 -7.724 86 H LYS 12 H LYS 12 -1.164 -11.632 -4.690 87 HA LYS 12 HA LYS 12 1.391 -10.484 -4.823 88 HB2 LYS 12 2HB LYS 12 0.650 -12.175 -3.160 89 HB3 LYS 12 3HB LYS 12 0.518 -13.387 -4.441 90 HG2 LYS 12 2HG LYS 12 2.953 -13.257 -4.858 91 HG3 LYS 12 3HG LYS 12 3.114 -11.974 -3.651 92 HD2 LYS 12 2HD LYS 12 2.288 -13.523 -1.877 93 HD3 LYS 12 3HD LYS 12 2.086 -14.805 -3.078 94 HE2 LYS 12 2HE LYS 12 4.542 -14.699 -3.591 95 HE3 LYS 12 3HE LYS 12 4.735 -13.435 -2.369 96 HZ1 LYS 12 3HZ LYS 12 3.783 -16.177 -1.843 97 HZ2 LYS 12 1HZ LYS 12 5.269 -15.597 -1.496 98 HZ3 LYS 12 2HZ LYS 12 3.962 -15.009 -0.715 99 H ASP 13 H ASP 13 -0.326 -12.833 -6.987 100 HA ASP 13 HA ASP 13 1.980 -13.542 -8.457 101 HB2 ASP 13 2HB ASP 13 -1.015 -13.627 -9.018 102 HB3 ASP 13 3HB ASP 13 0.182 -14.198 -10.188 103 H LYS 14 H LYS 14 -0.130 -10.685 -8.498 104 HA LYS 14 HA LYS 14 0.928 -9.926 -11.127 105 HB2 LYS 14 2HB LYS 14 -1.225 -8.653 -9.371 106 HB3 LYS 14 3HB LYS 14 -0.774 -8.132 -11.000 107 HG2 LYS 14 2HG LYS 14 -1.968 -10.857 -10.285 108 HG3 LYS 14 3HG LYS 14 -2.863 -9.492 -10.964 109 HD2 LYS 14 2HD LYS 14 -1.333 -9.523 -12.971 110 HD3 LYS 14 3HD LYS 14 -0.513 -10.939 -12.298 111 HE2 LYS 14 2HE LYS 14 -2.707 -12.176 -12.294 112 HE3 LYS 14 3HE LYS 14 -3.483 -10.769 -13.032 113 HZ1 LYS 14 3HZ LYS 14 -1.275 -12.318 -14.231 114 HZ2 LYS 14 1HZ LYS 14 -2.844 -12.390 -14.675 115 HZ3 LYS 14 2HZ LYS 14 -1.990 -11.018 -14.913 116 H GLY 15 H GLY 15 1.559 -9.498 -7.729 117 HA2 GLY 15 2HA GLY 15 3.053 -8.168 -6.692 118 HA3 GLY 15 3HA GLY 15 3.523 -7.493 -8.257 119 H PHE 16 H PHE 16 0.083 -7.440 -7.269 120 HA PHE 16 HA PHE 16 0.355 -4.507 -7.094 121 HB2 PHE 16 2HB PHE 16 -1.973 -6.266 -8.010 122 HB3 PHE 16 3HB PHE 16 -2.040 -4.507 -7.847 123 HD1 PHE 16 HD1 PHE 16 1.094 -4.494 -8.844 124 HD2 PHE 16 HD2 PHE 16 -2.669 -5.865 -10.401 125 HE1 PHE 16 HE1 PHE 16 1.957 -4.250 -11.150 126 HE2 PHE 16 HE2 PHE 16 -1.804 -5.620 -12.706 127 HZ PHE 16 HZ PHE 16 0.511 -4.808 -13.085 128 H GLY 17 H GLY 17 -0.638 -3.387 -5.362 129 HA2 GLY 17 2HA GLY 17 -2.418 -4.975 -3.643 130 HA3 GLY 17 3HA GLY 17 -1.019 -4.171 -2.920 131 H PHE 18 H PHE 18 -3.871 -3.637 -2.325 132 HA PHE 18 HA PHE 18 -3.791 -0.768 -3.002 133 HB2 PHE 18 2HB PHE 18 -6.248 -2.577 -2.796 134 HB3 PHE 18 3HB PHE 18 -6.289 -0.817 -2.968 135 HD1 PHE 18 HD1 PHE 18 -5.414 -4.002 -4.662 136 HD2 PHE 18 HD2 PHE 18 -5.896 0.246 -5.094 137 HE1 PHE 18 HE1 PHE 18 -5.333 -4.242 -7.125 138 HE2 PHE 18 HE2 PHE 18 -5.820 0.004 -7.554 139 HZ PHE 18 HZ PHE 18 -5.537 -2.240 -8.576 140 H ILE 19 H ILE 19 -4.419 0.668 -1.301 141 HA ILE 19 HA ILE 19 -4.772 -0.664 1.291 142 HB ILE 19 HB ILE 19 -2.912 1.673 0.618 143 HG12 ILE 19 2HG1 ILE 19 -2.310 -1.079 1.797 144 HG13 ILE 19 3HG1 ILE 19 -2.119 -0.668 0.087 145 HG21 ILE 19 1HG2 ILE 19 -2.341 1.663 3.025 146 HG22 ILE 19 2HG2 ILE 19 -4.070 2.064 2.750 147 HG23 ILE 19 3HG2 ILE 19 -3.607 0.424 3.316 148 HD11 ILE 19 3HD1 ILE 19 -0.654 0.657 2.413 149 HD12 ILE 19 1HD1 ILE 19 0.027 -0.549 1.269 150 HD13 ILE 19 2HD1 ILE 19 -0.461 1.075 0.677 151 H LYS 20 H LYS 20 -6.412 0.228 2.567 152 HA LYS 20 HA LYS 20 -7.500 2.816 1.714 153 HB2 LYS 20 2HB LYS 20 -9.047 0.890 2.069 154 HB3 LYS 20 3HB LYS 20 -8.492 0.757 3.743 155 HG2 LYS 20 2HG LYS 20 -9.354 3.061 4.202 156 HG3 LYS 20 3HG LYS 20 -9.927 3.173 2.533 157 HD2 LYS 20 2HD LYS 20 -11.389 1.171 2.903 158 HD3 LYS 20 3HD LYS 20 -10.819 1.066 4.574 159 HE2 LYS 20 2HE LYS 20 -11.711 3.359 5.025 160 HE3 LYS 20 3HE LYS 20 -12.275 3.471 3.353 161 HZ1 LYS 20 3HZ LYS 20 -13.186 1.473 5.325 162 HZ2 LYS 20 1HZ LYS 20 -14.027 2.783 4.833 163 HZ3 LYS 20 2HZ LYS 20 -13.707 1.576 3.781 164 H ASP 21 H ASP 21 -7.136 4.692 2.880 165 HA ASP 21 HA ASP 21 -5.068 4.423 4.891 166 HB2 ASP 21 2HB ASP 21 -5.177 6.078 2.870 167 HB3 ASP 21 3HB ASP 21 -6.324 6.993 3.857 168 H GLU 22 H GLU 22 -5.169 5.760 6.952 169 HA GLU 22 HA GLU 22 -7.504 5.565 8.427 170 HB2 GLU 22 2HB GLU 22 -5.174 7.535 8.553 171 HB3 GLU 22 3HB GLU 22 -6.448 7.457 9.777 172 HG2 GLU 22 2HG GLU 22 -5.837 5.128 10.319 173 HG3 GLU 22 3HG GLU 22 -4.628 5.115 9.028 174 H ASN 23 H ASN 23 -6.636 7.858 5.852 175 HA ASN 23 HA ASN 23 -8.752 9.680 6.625 176 HB2 ASN 23 2HB ASN 23 -6.806 9.565 4.298 177 HB3 ASN 23 3HB ASN 23 -8.112 10.753 4.400 178 HD21 ASN 23 1HD2 ASN 23 -5.373 11.338 4.285 179 HD22 ASN 23 2HD2 ASN 23 -4.977 12.206 5.731 180 H GLY 24 H GLY 24 -8.459 6.690 4.844 181 HA2 GLY 24 2HA GLY 24 -10.364 5.522 4.241 182 HA3 GLY 24 3HA GLY 24 -11.264 7.036 4.088 183 H ASP 25 H ASP 25 -8.229 7.492 2.579 184 HA ASP 25 HA ASP 25 -9.462 7.313 -0.023 185 HB2 ASP 25 2HB ASP 25 -6.715 8.152 1.008 186 HB3 ASP 25 3HB ASP 25 -7.104 8.082 -0.716 187 H ASN 26 H ASN 26 -9.022 5.814 -1.665 188 HA ASN 26 HA ASN 26 -7.571 3.441 -0.809 189 HB2 ASN 26 2HB ASN 26 -9.803 3.253 -1.874 190 HB3 ASN 26 3HB ASN 26 -9.166 4.017 -3.336 191 HD21 ASN 26 1HD2 ASN 26 -10.366 1.490 -3.218 192 HD22 ASN 26 2HD2 ASN 26 -9.189 0.339 -3.755 193 H ARG 27 H ARG 27 -5.422 3.179 -1.270 194 HA ARG 27 HA ARG 27 -4.377 4.739 -3.542 195 HB2 ARG 27 2HB ARG 27 -3.138 4.087 -0.866 196 HB3 ARG 27 3HB ARG 27 -2.177 4.569 -2.270 197 HG2 ARG 27 2HG ARG 27 -3.467 6.692 -2.417 198 HG3 ARG 27 3HG ARG 27 -4.413 6.209 -1.002 199 HD2 ARG 27 2HD ARG 27 -2.466 6.257 0.401 200 HD3 ARG 27 3HD ARG 27 -1.407 6.519 -0.992 201 HE ARG 27 HE ARG 27 -2.098 8.764 -1.094 202 HH11 ARG 27 1HH1 ARG 27 -3.847 7.054 1.429 203 HH12 ARG 27 2HH1 ARG 27 -4.363 8.509 2.216 204 HH21 ARG 27 1HH2 ARG 27 -2.774 10.618 -0.083 205 HH22 ARG 27 2HH2 ARG 27 -3.749 10.555 1.348 206 H TYR 28 H TYR 28 -3.054 3.701 -5.061 207 HA TYR 28 HA TYR 28 -2.920 0.781 -4.742 208 HB2 TYR 28 2HB TYR 28 -4.086 1.385 -6.736 209 HB3 TYR 28 3HB TYR 28 -2.940 2.674 -7.125 210 HD1 TYR 28 HD1 TYR 28 -2.983 -1.064 -6.598 211 HD2 TYR 28 HD2 TYR 28 -1.329 2.261 -8.754 212 HE1 TYR 28 HE1 TYR 28 -1.703 -2.630 -8.023 213 HE2 TYR 28 HE2 TYR 28 -0.048 0.699 -10.184 214 HH TYR 28 HH TYR 28 -0.355 -2.863 -9.762 215 H PHE 29 H PHE 29 -0.945 -0.315 -4.765 216 HA PHE 29 HA PHE 29 1.459 1.306 -5.206 217 HB2 PHE 29 2HB PHE 29 2.434 0.679 -3.131 218 HB3 PHE 29 3HB PHE 29 0.818 1.281 -2.739 219 HD1 PHE 29 HD1 PHE 29 -0.963 -0.264 -2.021 220 HD2 PHE 29 HD2 PHE 29 3.012 -1.665 -2.853 221 HE1 PHE 29 HE1 PHE 29 -1.460 -2.380 -0.837 222 HE2 PHE 29 HE2 PHE 29 2.512 -3.783 -1.670 223 HZ PHE 29 HZ PHE 29 0.277 -4.143 -0.659 224 H HIS 30 H HIS 30 3.445 -0.080 -5.478 225 HA HIS 30 HA HIS 30 2.703 -2.750 -6.475 226 HB2 HIS 30 2HB HIS 30 5.172 -1.029 -7.019 227 HB3 HIS 30 3HB HIS 30 4.855 -2.627 -7.709 228 HD2 HIS 30 HD2 HIS 30 3.079 -2.663 -9.882 229 HE1 HIS 30 HE1 HIS 30 2.368 1.557 -9.956 230 H VAL 31 H VAL 31 3.890 -4.613 -5.785 231 HA VAL 31 HA VAL 31 4.807 -4.538 -3.146 232 HB VAL 31 HB VAL 31 5.576 -6.869 -3.598 233 HG11 VAL 31 1HG1 VAL 31 3.368 -7.798 -4.222 234 HG12 VAL 31 2HG1 VAL 31 3.217 -6.438 -3.059 235 HG13 VAL 31 3HG1 VAL 31 2.854 -6.176 -4.798 236 HG21 VAL 31 3HG2 VAL 31 6.446 -6.537 -5.871 237 HG22 VAL 31 1HG2 VAL 31 5.226 -7.855 -5.839 238 HG23 VAL 31 2HG2 VAL 31 4.783 -6.236 -6.477 239 H ILE 32 H ILE 32 6.427 -3.837 -6.211 240 HA ILE 32 HA ILE 32 9.054 -4.384 -5.268 241 HB ILE 32 HB ILE 32 9.774 -3.128 -7.271 242 HG12 ILE 32 2HG1 ILE 32 6.812 -2.519 -7.697 243 HG13 ILE 32 3HG1 ILE 32 7.984 -1.356 -7.064 244 HG21 ILE 32 1HG2 ILE 32 8.655 -4.513 -8.987 245 HG22 ILE 32 2HG2 ILE 32 9.084 -5.471 -7.530 246 HG23 ILE 32 3HG2 ILE 32 7.385 -4.955 -7.797 247 HD11 ILE 32 3HD1 ILE 32 8.109 -2.703 -9.799 248 HD12 ILE 32 1HD1 ILE 32 7.605 -1.012 -9.463 249 HD13 ILE 32 2HD1 ILE 32 9.299 -1.522 -9.156 250 H LYS 33 H LYS 33 6.742 -1.812 -4.689 251 HA LYS 33 HA LYS 33 8.872 0.022 -3.872 252 HB2 LYS 33 2HB LYS 33 5.829 0.273 -3.999 253 HB3 LYS 33 3HB LYS 33 6.910 1.541 -3.407 254 HG2 LYS 33 2HG LYS 33 7.839 1.934 -5.558 255 HG3 LYS 33 3HG LYS 33 7.285 0.379 -6.191 256 HD2 LYS 33 2HD LYS 33 4.919 1.137 -6.036 257 HD3 LYS 33 3HD LYS 33 5.443 2.678 -5.346 258 HE2 LYS 33 2HE LYS 33 6.615 3.291 -7.394 259 HE3 LYS 33 3HE LYS 33 6.393 1.674 -8.075 260 HZ1 LYS 33 3HZ LYS 33 4.228 3.587 -7.475 261 HZ2 LYS 33 1HZ LYS 33 4.797 3.214 -8.959 262 HZ3 LYS 33 2HZ LYS 33 4.009 2.086 -8.079 263 H VAL 34 H VAL 34 8.019 -2.699 -2.508 264 HA VAL 34 HA VAL 34 7.390 -1.511 0.106 265 HB VAL 34 HB VAL 34 6.988 -4.381 -0.888 266 HG11 VAL 34 1HG1 VAL 34 5.737 -4.687 1.226 267 HG12 VAL 34 2HG1 VAL 34 7.458 -4.265 1.522 268 HG13 VAL 34 3HG1 VAL 34 6.181 -3.019 1.724 269 HG21 VAL 34 3HG2 VAL 34 5.437 -2.805 -1.962 270 HG22 VAL 34 1HG2 VAL 34 4.574 -3.846 -0.780 271 HG23 VAL 34 2HG2 VAL 34 4.974 -2.147 -0.357 272 H ALA 35 H ALA 35 8.727 -2.008 1.909 273 HA ALA 35 HA ALA 35 11.412 -2.639 1.266 274 HB1 ALA 35 3HB ALA 35 9.947 -2.441 3.943 275 HB2 ALA 35 1HB ALA 35 11.729 -2.482 3.723 276 HB3 ALA 35 2HB ALA 35 10.776 -1.101 3.081 277 H ASN 36 H ASN 36 8.750 -4.509 2.915 278 HA ASN 36 HA ASN 36 10.239 -6.904 2.126 279 HB2 ASN 36 2HB ASN 36 9.061 -6.340 4.870 280 HB3 ASN 36 3HB ASN 36 9.450 -7.966 4.292 281 HD21 ASN 36 1HD2 ASN 36 10.598 -5.144 5.747 282 HD22 ASN 36 2HD2 ASN 36 12.263 -5.604 5.871 283 HA PRO 37 HA PRO 37 5.875 -6.896 0.653 284 HB2 PRO 37 2HB PRO 37 6.487 -8.326 -1.679 285 HB3 PRO 37 3HB PRO 37 6.635 -6.566 -1.589 286 HG2 PRO 37 2HG PRO 37 8.787 -8.680 -1.248 287 HG3 PRO 37 3HG PRO 37 8.847 -7.174 -2.173 288 HD2 PRO 37 2HD PRO 37 9.992 -7.298 0.274 289 HD3 PRO 37 3HD PRO 37 9.140 -5.830 -0.221 290 H ASP 38 H ASP 38 8.114 -9.434 1.518 291 HA ASP 38 HA ASP 38 6.301 -11.581 1.117 292 HB2 ASP 38 2HB ASP 38 8.758 -11.152 2.872 293 HB3 ASP 38 3HB ASP 38 7.847 -12.668 2.873 294 H LEU 39 H LEU 39 6.532 -9.003 3.537 295 HA LEU 39 HA LEU 39 5.143 -10.667 5.518 296 HB2 LEU 39 2HB LEU 39 6.496 -7.932 5.708 297 HB3 LEU 39 3HB LEU 39 5.722 -8.780 7.053 298 HG LEU 39 HG LEU 39 8.157 -9.797 5.494 299 HD11 LEU 39 1HD1 LEU 39 9.387 -9.298 7.572 300 HD12 LEU 39 2HD1 LEU 39 8.655 -7.817 6.867 301 HD13 LEU 39 3HD1 LEU 39 7.895 -8.603 8.291 302 HD21 LEU 39 3HD2 LEU 39 6.718 -11.608 6.361 303 HD22 LEU 39 1HD2 LEU 39 8.255 -11.503 7.284 304 HD23 LEU 39 2HD2 LEU 39 6.737 -10.851 7.990 305 H ILE 40 H ILE 40 4.301 -8.658 2.948 306 HA ILE 40 HA ILE 40 2.401 -6.963 3.977 307 HB ILE 40 HB ILE 40 2.467 -8.600 1.398 308 HG12 ILE 40 2HG1 ILE 40 2.971 -5.640 1.957 309 HG13 ILE 40 3HG1 ILE 40 4.239 -6.862 1.797 310 HG21 ILE 40 1HG2 ILE 40 0.708 -7.085 0.549 311 HG22 ILE 40 2HG2 ILE 40 0.130 -8.072 1.934 312 HG23 ILE 40 3HG2 ILE 40 0.563 -6.346 2.179 313 HD11 ILE 40 3HD1 ILE 40 2.230 -6.086 -0.365 314 HD12 ILE 40 1HD1 ILE 40 3.958 -5.602 -0.290 315 HD13 ILE 40 2HD1 ILE 40 3.517 -7.327 -0.527 316 H LYS 41 H LYS 41 0.327 -7.196 4.841 317 HA LYS 41 HA LYS 41 -0.977 -9.809 4.478 318 HB2 LYS 41 2HB LYS 41 -0.677 -8.231 7.076 319 HB3 LYS 41 3HB LYS 41 -1.825 -9.557 6.851 320 HG2 LYS 41 2HG LYS 41 0.078 -11.111 6.369 321 HG3 LYS 41 3HG LYS 41 1.218 -9.783 6.620 322 HD2 LYS 41 2HD LYS 41 0.371 -9.501 8.962 323 HD3 LYS 41 3HD LYS 41 -0.765 -10.832 8.710 324 HE2 LYS 41 2HE LYS 41 1.163 -12.370 8.235 325 HE3 LYS 41 3HE LYS 41 2.286 -11.036 8.531 326 HZ1 LYS 41 3HZ LYS 41 0.388 -12.133 10.507 327 HZ2 LYS 41 1HZ LYS 41 1.999 -12.399 10.478 328 HZ3 LYS 41 2HZ LYS 41 1.425 -10.901 10.781 329 H LYS 42 H LYS 42 -3.369 -9.698 4.711 330 HA LYS 42 HA LYS 42 -4.433 -7.510 3.337 331 HB2 LYS 42 2HB LYS 42 -5.394 -9.810 3.410 332 HB3 LYS 42 3HB LYS 42 -5.804 -9.585 5.116 333 HG2 LYS 42 2HG LYS 42 -7.356 -7.746 4.528 334 HG3 LYS 42 3HG LYS 42 -6.910 -7.888 2.822 335 HD2 LYS 42 2HD LYS 42 -7.757 -10.239 2.789 336 HD3 LYS 42 3HD LYS 42 -8.184 -10.116 4.501 337 HE2 LYS 42 2HE LYS 42 -9.751 -8.240 3.978 338 HE3 LYS 42 3HE LYS 42 -9.318 -8.351 2.267 339 HZ1 LYS 42 3HZ LYS 42 -10.583 -10.501 3.845 340 HZ2 LYS 42 1HZ LYS 42 -11.334 -9.551 2.750 341 HZ3 LYS 42 2HZ LYS 42 -10.184 -10.604 2.265 342 H ASP 43 H ASP 43 -5.601 -8.454 6.657 343 HA ASP 43 HA ASP 43 -6.378 -5.723 7.081 344 HB2 ASP 43 2HB ASP 43 -6.522 -8.285 8.728 345 HB3 ASP 43 3HB ASP 43 -7.049 -6.721 9.362 346 H ALA 44 H ALA 44 -3.514 -7.669 7.770 347 HA ALA 44 HA ALA 44 -2.939 -6.129 10.189 348 HB1 ALA 44 3HB ALA 44 -1.611 -8.576 8.928 349 HB2 ALA 44 1HB ALA 44 -1.155 -7.827 10.495 350 HB3 ALA 44 2HB ALA 44 -2.772 -8.582 10.298 351 H ALA 45 H ALA 45 -2.705 -5.122 7.212 352 HA ALA 45 HA ALA 45 0.003 -5.274 6.481 353 HB1 ALA 45 3HB ALA 45 -2.180 -3.274 5.719 354 HB2 ALA 45 1HB ALA 45 -0.620 -3.503 4.859 355 HB3 ALA 45 2HB ALA 45 -1.828 -4.831 4.897 356 H VAL 46 H VAL 46 1.538 -3.393 6.240 357 HA VAL 46 HA VAL 46 1.504 -1.942 8.778 358 HB VAL 46 HB VAL 46 3.949 -1.557 8.237 359 HG11 VAL 46 1HG1 VAL 46 4.650 -3.875 8.750 360 HG12 VAL 46 2HG1 VAL 46 3.235 -3.370 9.734 361 HG13 VAL 46 3HG1 VAL 46 3.006 -4.460 8.325 362 HG21 VAL 46 3HG2 VAL 46 3.815 -1.791 5.794 363 HG22 VAL 46 1HG2 VAL 46 4.983 -2.967 6.484 364 HG23 VAL 46 2HG2 VAL 46 3.352 -3.517 5.972 365 H THR 47 H THR 47 3.800 -0.314 7.016 366 HA THR 47 HA THR 47 1.777 1.817 6.901 367 HB THR 47 HB THR 47 3.465 3.310 7.888 368 HG1 THR 47 HG1 THR 47 5.103 0.926 7.703 369 HG21 THR 47 3HG2 THR 47 3.196 0.690 9.444 370 HG22 THR 47 1HG2 THR 47 3.632 2.287 10.140 371 HG23 THR 47 2HG2 THR 47 2.006 2.035 9.420 372 H PHE 48 H PHE 48 2.504 3.807 5.610 373 HA PHE 48 HA PHE 48 4.395 3.220 3.489 374 HB2 PHE 48 2HB PHE 48 2.768 3.390 1.701 375 HB3 PHE 48 3HB PHE 48 2.309 2.058 2.770 376 HD1 PHE 48 HD1 PHE 48 0.384 2.307 4.332 377 HD2 PHE 48 HD2 PHE 48 1.371 5.338 1.452 378 HE1 PHE 48 HE1 PHE 48 -1.869 3.297 4.600 379 HE2 PHE 48 HE2 PHE 48 -0.880 6.330 1.725 380 HZ PHE 48 HZ PHE 48 -2.503 5.314 3.299 381 H GLU 49 H GLU 49 4.658 5.155 2.006 382 HA GLU 49 HA GLU 49 3.754 7.626 3.319 383 HB2 GLU 49 2HB GLU 49 6.174 7.415 2.894 384 HB3 GLU 49 3HB GLU 49 5.871 7.079 1.184 385 HG2 GLU 49 2HG GLU 49 4.886 9.361 0.915 386 HG3 GLU 49 3HG GLU 49 5.203 9.696 2.622 387 HA PRO 50 HA PRO 50 0.646 7.907 0.173 388 HB2 PRO 50 2HB PRO 50 -0.152 10.513 0.761 389 HB3 PRO 50 3HB PRO 50 -0.606 9.153 1.798 390 HG2 PRO 50 2HG PRO 50 1.682 11.125 2.131 391 HG3 PRO 50 3HG PRO 50 0.526 10.554 3.341 392 HD2 PRO 50 2HD PRO 50 3.016 9.485 3.215 393 HD3 PRO 50 3HD PRO 50 1.628 8.462 3.608 394 H THR 51 H THR 51 0.546 8.402 -1.933 395 HA THR 51 HA THR 51 2.068 10.731 -2.803 396 HB THR 51 HB THR 51 3.017 9.417 -4.715 397 HG1 THR 51 HG1 THR 51 1.413 7.458 -3.546 398 HG21 THR 51 3HG2 THR 51 3.758 8.368 -1.938 399 HG22 THR 51 1HG2 THR 51 4.780 8.260 -3.411 400 HG23 THR 51 2HG2 THR 51 4.385 9.865 -2.709 401 H THR 52 H THR 52 1.543 11.214 -5.232 402 HA THR 52 HA THR 52 -1.224 10.410 -5.758 403 HB THR 52 HB THR 52 -0.125 13.272 -5.760 404 HG1 THR 52 HG1 THR 52 -1.769 13.528 -4.079 405 HG21 THR 52 3HG2 THR 52 -2.899 12.191 -6.458 406 HG22 THR 52 1HG2 THR 52 -2.442 13.924 -6.347 407 HG23 THR 52 2HG2 THR 52 -1.709 12.881 -7.612 408 H ASN 53 H ASN 53 -1.662 10.037 -7.948 409 HA ASN 53 HA ASN 53 0.309 11.101 -9.857 410 HB2 ASN 53 2HB ASN 53 -1.022 8.366 -9.888 411 HB3 ASN 53 3HB ASN 53 -0.075 9.049 -11.216 412 HD21 ASN 53 1HD2 ASN 53 0.009 7.064 -8.599 413 HD22 ASN 53 2HD2 ASN 53 1.724 6.988 -8.368 414 H ASN 54 H ASN 54 -0.619 11.290 -12.139 415 HA ASN 54 HA ASN 54 -3.202 12.449 -12.090 416 HB2 ASN 54 2HB ASN 54 -1.310 11.622 -14.314 417 HB3 ASN 54 3HB ASN 54 -2.896 12.338 -14.630 418 HD21 ASN 54 1HD2 ASN 54 -0.531 13.474 -15.470 419 HD22 ASN 54 2HD2 ASN 54 -0.362 15.008 -14.684 420 H LYS 55 H LYS 55 -2.134 9.141 -12.199 421 HA LYS 55 HA LYS 55 -4.532 8.276 -13.632 422 HB2 LYS 55 2HB LYS 55 -2.128 6.779 -12.485 423 HB3 LYS 55 3HB LYS 55 -3.486 6.006 -13.313 424 HG2 LYS 55 2HG LYS 55 -2.957 7.282 -15.387 425 HG3 LYS 55 3HG LYS 55 -1.611 8.078 -14.561 426 HD2 LYS 55 2HD LYS 55 -0.547 5.844 -14.155 427 HD3 LYS 55 3HD LYS 55 -1.888 5.057 -14.997 428 HE2 LYS 55 2HE LYS 55 -1.341 6.384 -17.065 429 HE3 LYS 55 3HE LYS 55 0.028 7.115 -16.217 430 HZ1 LYS 55 3HZ LYS 55 -0.303 4.230 -16.742 431 HZ2 LYS 55 1HZ LYS 55 0.707 5.236 -17.538 432 HZ3 LYS 55 2HZ LYS 55 0.960 4.904 -15.959 433 H GLY 56 H GLY 56 -3.670 9.149 -10.432 434 HA2 GLY 56 2HA GLY 56 -5.853 8.884 -9.122 435 HA3 GLY 56 3HA GLY 56 -5.524 7.155 -9.298 436 H LEU 57 H LEU 57 -5.691 7.808 -6.731 437 HA LEU 57 HA LEU 57 -3.237 8.844 -5.659 438 HB2 LEU 57 2HB LEU 57 -5.614 7.394 -4.393 439 HB3 LEU 57 3HB LEU 57 -4.287 8.135 -3.489 440 HG LEU 57 HG LEU 57 -6.212 9.653 -5.327 441 HD11 LEU 57 1HD1 LEU 57 -7.145 10.542 -3.223 442 HD12 LEU 57 2HD1 LEU 57 -7.332 8.759 -3.325 443 HD13 LEU 57 3HD1 LEU 57 -6.054 9.470 -2.283 444 HD21 LEU 57 3HD2 LEU 57 -3.966 10.666 -5.173 445 HD22 LEU 57 1HD2 LEU 57 -5.183 11.651 -4.293 446 HD23 LEU 57 2HD2 LEU 57 -4.051 10.596 -3.380 447 H SER 58 H SER 58 -1.535 7.708 -4.628 448 HA SER 58 HA SER 58 -1.577 4.793 -4.903 449 HB2 SER 58 2HB SER 58 0.529 4.815 -6.141 450 HB3 SER 58 3HB SER 58 -0.730 5.657 -7.054 451 HG SER 58 HG SER 58 1.246 6.934 -5.383 452 H ALA 59 H ALA 59 0.613 3.881 -3.979 453 HA ALA 59 HA ALA 59 1.406 5.572 -1.694 454 HB1 ALA 59 3HB ALA 59 0.719 2.590 -1.698 455 HB2 ALA 59 1HB ALA 59 1.388 3.510 -0.308 456 HB3 ALA 59 2HB ALA 59 -0.246 3.903 -0.943 457 H TYR 60 H TYR 60 3.583 5.315 -0.958 458 HA TYR 60 HA TYR 60 5.277 3.570 -2.586 459 HB2 TYR 60 2HB TYR 60 5.176 5.741 -3.784 460 HB3 TYR 60 3HB TYR 60 5.629 6.596 -2.304 461 HD1 TYR 60 HD1 TYR 60 6.867 3.925 -4.646 462 HD2 TYR 60 HD2 TYR 60 7.894 7.007 -1.840 463 HE1 TYR 60 HE1 TYR 60 9.260 3.643 -5.218 464 HE2 TYR 60 HE2 TYR 60 10.287 6.731 -2.407 465 HH TYR 60 HH TYR 60 11.785 5.659 -3.626 466 H ALA 61 H ALA 61 7.437 3.240 -1.627 467 HA ALA 61 HA ALA 61 8.819 2.874 0.067 468 HB1 ALA 61 3HB ALA 61 7.653 5.502 1.112 469 HB2 ALA 61 1HB ALA 61 9.149 4.708 1.710 470 HB3 ALA 61 2HB ALA 61 9.071 5.325 0.025 471 H VAL 62 H VAL 62 6.916 1.109 0.363 472 HA VAL 62 HA VAL 62 5.449 1.496 2.804 473 HB VAL 62 HB VAL 62 5.799 -0.942 0.985 474 HG11 VAL 62 1HG1 VAL 62 3.816 -1.844 2.161 475 HG12 VAL 62 2HG1 VAL 62 5.203 -1.603 3.276 476 HG13 VAL 62 3HG1 VAL 62 3.840 -0.433 3.273 477 HG21 VAL 62 3HG2 VAL 62 4.687 0.946 -0.128 478 HG22 VAL 62 1HG2 VAL 62 3.519 -0.377 0.203 479 HG23 VAL 62 2HG2 VAL 62 3.532 1.089 1.240 480 H LYS 63 H LYS 63 5.993 0.712 4.861 481 HA LYS 63 HA LYS 63 8.586 -0.686 4.999 482 HB2 LYS 63 2HB LYS 63 7.621 1.737 6.592 483 HB3 LYS 63 3HB LYS 63 9.059 0.788 6.992 484 HG2 LYS 63 2HG LYS 63 10.044 1.371 4.759 485 HG3 LYS 63 3HG LYS 63 8.618 2.353 4.400 486 HD2 LYS 63 2HD LYS 63 9.093 3.731 6.467 487 HD3 LYS 63 3HD LYS 63 10.564 2.786 6.728 488 HE2 LYS 63 2HE LYS 63 11.415 3.493 4.481 489 HE3 LYS 63 3HE LYS 63 9.944 4.441 4.224 490 HZ1 LYS 63 3HZ LYS 63 11.898 4.888 6.389 491 HZ2 LYS 63 1HZ LYS 63 11.738 5.798 5.043 492 HZ3 LYS 63 2HZ LYS 63 10.540 5.763 6.152 493 H VAL 64 H VAL 64 8.611 -2.443 6.362 494 HA VAL 64 HA VAL 64 6.187 -2.953 7.862 495 HB VAL 64 HB VAL 64 8.708 -4.623 7.387 496 HG11 VAL 64 1HG1 VAL 64 7.390 -6.506 8.308 497 HG12 VAL 64 2HG1 VAL 64 7.640 -5.208 9.523 498 HG13 VAL 64 3HG1 VAL 64 6.053 -5.372 8.699 499 HG21 VAL 64 3HG2 VAL 64 7.376 -4.253 5.355 500 HG22 VAL 64 1HG2 VAL 64 7.238 -5.956 5.908 501 HG23 VAL 64 2HG2 VAL 64 5.895 -4.803 6.210 502 H VAL 65 H VAL 65 5.985 -2.467 10.029 503 HA VAL 65 HA VAL 65 8.466 -1.979 11.503 504 HB VAL 65 HB VAL 65 5.552 -1.269 12.118 505 HG11 VAL 65 1HG1 VAL 65 6.480 0.035 14.009 506 HG12 VAL 65 2HG1 VAL 65 6.814 -1.722 14.180 507 HG13 VAL 65 3HG1 VAL 65 8.117 -0.608 13.642 508 HG21 VAL 65 3HG2 VAL 65 6.525 0.065 10.296 509 HG22 VAL 65 1HG2 VAL 65 6.313 1.062 11.775 510 HG23 VAL 65 2HG2 VAL 65 7.944 0.458 11.325 511 HA PRO 66 HA PRO 66 7.824 -5.866 13.647 512 HB2 PRO 66 2HB PRO 66 9.655 -5.353 15.687 513 HB3 PRO 66 3HB PRO 66 10.184 -5.838 14.070 514 HG2 PRO 66 2HG PRO 66 9.995 -3.047 15.259 515 HG3 PRO 66 3HG PRO 66 11.312 -3.767 14.323 516 HD2 PRO 66 2HD PRO 66 9.535 -2.105 13.127 517 HD3 PRO 66 3HD PRO 66 10.167 -3.506 12.253 518 H LEU 67 H LEU 67 6.041 -6.302 14.741 519 HA LEU 67 HA LEU 67 5.094 -4.230 16.586 520 HB2 LEU 67 2HB LEU 67 3.731 -6.681 15.365 521 HB3 LEU 67 3HB LEU 67 2.949 -5.497 16.421 522 HG LEU 67 HG LEU 67 4.128 -4.898 13.655 523 HD11 LEU 67 1HD1 LEU 67 1.768 -4.627 12.988 524 HD12 LEU 67 2HD1 LEU 67 2.102 -6.295 13.566 525 HD13 LEU 67 3HD1 LEU 67 1.243 -5.131 14.630 526 HD21 LEU 67 3HD2 LEU 67 4.277 -2.987 15.210 527 HD22 LEU 67 1HD2 LEU 67 3.029 -2.702 13.949 528 HD23 LEU 67 2HD2 LEU 67 2.536 -3.171 15.611 529 H GLU 68 H GLU 68 6.794 -7.248 16.645 530 HA GLU 68 HA GLU 68 5.960 -7.608 19.452 531 HB2 GLU 68 2HB GLU 68 6.657 -9.717 17.355 532 HB3 GLU 68 3HB GLU 68 6.469 -10.048 19.082 533 HG2 GLU 68 2HG GLU 68 4.095 -9.264 18.965 534 HG3 GLU 68 3HG GLU 68 4.287 -8.959 17.234 535 H HIS 69 H HIS 69 7.633 -8.045 20.963 536 HA HIS 69 HA HIS 69 10.357 -8.067 19.868 537 HB2 HIS 69 2HB HIS 69 9.309 -6.225 22.076 538 HB3 HIS 69 3HB HIS 69 11.014 -6.435 21.656 539 HD2 HIS 69 HD2 HIS 69 7.913 -4.425 20.479 540 HE1 HIS 69 HE1 HIS 69 11.063 -3.699 17.673 541 H HIS 70 H HIS 70 11.930 -9.101 21.255 542 HA HIS 70 HA HIS 70 10.744 -11.086 22.964 543 HB2 HIS 70 2HB HIS 70 12.680 -11.496 21.396 544 HB3 HIS 70 3HB HIS 70 13.678 -10.432 22.396 545 HD2 HIS 70 HD2 HIS 70 12.401 -14.101 22.348 546 HE1 HIS 70 HE1 HIS 70 14.539 -13.516 26.010 547 H HIS 71 H HIS 71 11.019 -11.328 25.240 548 HA HIS 71 HA HIS 71 12.586 -9.364 26.662 549 HB2 HIS 71 2HB HIS 71 10.737 -8.527 28.021 550 HB3 HIS 71 3HB HIS 71 10.458 -8.146 26.316 551 HD2 HIS 71 HD2 HIS 71 8.775 -10.100 29.221 552 HE1 HIS 71 HE1 HIS 71 6.450 -10.764 25.689 553 H HIS 72 H HIS 72 12.503 -9.853 29.116 554 HA HIS 72 HA HIS 72 11.447 -12.416 29.860 555 HB2 HIS 72 2HB HIS 72 13.574 -12.984 28.594 556 HB3 HIS 72 3HB HIS 72 14.479 -12.051 29.793 557 HD2 HIS 72 HD2 HIS 72 12.840 -15.557 29.395 558 HE1 HIS 72 HE1 HIS 72 14.395 -15.282 33.374 559 H HIS 73 H HIS 73 11.337 -12.634 32.152 560 HA HIS 73 HA HIS 73 12.843 -10.878 33.838 561 HB2 HIS 73 2HB HIS 73 10.921 -9.664 34.773 562 HB3 HIS 73 3HB HIS 73 11.129 -9.285 33.058 563 HD2 HIS 73 HD2 HIS 73 8.466 -10.809 35.448 564 HE1 HIS 73 HE1 HIS 73 6.943 -11.076 31.457 565 H HIS 74 H HIS 74 11.981 -11.149 36.235 566 HA HIS 74 HA HIS 74 11.050 -13.937 36.491 567 HB2 HIS 74 2HB HIS 74 12.924 -12.322 38.291 568 HB3 HIS 74 3HB HIS 74 12.337 -13.954 38.634 569 HD2 HIS 74 HD2 HIS 74 14.980 -12.160 36.352 570 HE1 HIS 74 HE1 HIS 74 15.394 -16.389 35.840 Start of MODEL 11 1 H1 MET 1 1H MET 1 4.022 10.956 15.388 2 H2 MET 1 2H MET 1 2.950 9.776 15.035 3 H3 MET 1 3H MET 1 4.425 9.391 15.619 4 HA MET 1 HA MET 1 4.005 10.791 13.099 5 HB2 MET 1 2HB MET 1 6.388 9.306 14.305 6 HB3 MET 1 3HB MET 1 6.335 9.956 12.661 7 HG2 MET 1 2HG MET 1 6.175 11.561 15.255 8 HG3 MET 1 3HG MET 1 7.560 11.464 14.160 9 HE1 MET 1 3HE MET 1 6.240 11.747 11.169 10 HE2 MET 1 1HE MET 1 6.533 13.516 11.075 11 HE3 MET 1 2HE MET 1 7.732 12.450 11.881 12 H ALA 2 H ALA 2 4.020 7.629 14.791 13 HA ALA 2 HA ALA 2 4.162 6.036 12.462 14 HB1 ALA 2 3HB ALA 2 2.927 5.514 15.212 15 HB2 ALA 2 1HB ALA 2 3.280 4.268 13.968 16 HB3 ALA 2 2HB ALA 2 4.625 5.185 14.728 17 H MET 3 H MET 3 2.552 5.100 11.151 18 HA MET 3 HA MET 3 -0.205 5.986 11.696 19 HB2 MET 3 2HB MET 3 1.311 6.091 9.045 20 HB3 MET 3 3HB MET 3 -0.438 6.300 9.204 21 HG2 MET 3 2HG MET 3 -0.069 8.298 10.646 22 HG3 MET 3 3HG MET 3 1.680 8.089 10.489 23 HE1 MET 3 3HE MET 3 2.301 7.446 7.430 24 HE2 MET 3 1HE MET 3 2.517 9.152 6.913 25 HE3 MET 3 2HE MET 3 3.077 8.629 8.537 26 H ASN 4 H ASN 4 -1.871 4.583 10.727 27 HA ASN 4 HA ASN 4 -0.790 1.929 10.042 28 HB2 ASN 4 2HB ASN 4 -3.313 2.573 11.618 29 HB3 ASN 4 3HB ASN 4 -2.778 0.961 11.128 30 HD21 ASN 4 1HD2 ASN 4 -2.821 3.167 13.575 31 HD22 ASN 4 2HD2 ASN 4 -1.583 2.483 14.576 32 H GLY 5 H GLY 5 -2.304 0.585 8.651 33 HA2 GLY 5 2HA GLY 5 -4.430 2.059 7.331 34 HA3 GLY 5 3HA GLY 5 -3.025 1.693 6.322 35 H THR 6 H THR 6 -5.250 0.555 5.363 36 HA THR 6 HA THR 6 -5.067 -2.224 6.294 37 HB THR 6 HB THR 6 -7.591 -0.702 5.457 38 HG1 THR 6 HG1 THR 6 -8.210 -1.219 7.679 39 HG21 THR 6 3HG2 THR 6 -7.195 -3.618 6.290 40 HG22 THR 6 1HG2 THR 6 -8.772 -2.816 5.983 41 HG23 THR 6 2HG2 THR 6 -7.599 -3.032 4.641 42 H ILE 7 H ILE 7 -4.632 -3.685 4.641 43 HA ILE 7 HA ILE 7 -5.059 -2.744 1.908 44 HB ILE 7 HB ILE 7 -3.549 -5.119 3.106 45 HG12 ILE 7 2HG1 ILE 7 -2.634 -2.756 1.398 46 HG13 ILE 7 3HG1 ILE 7 -2.486 -2.846 3.158 47 HG21 ILE 7 1HG2 ILE 7 -2.926 -5.720 0.790 48 HG22 ILE 7 2HG2 ILE 7 -4.695 -5.864 1.064 49 HG23 ILE 7 3HG2 ILE 7 -4.037 -4.455 0.166 50 HD11 ILE 7 3HD1 ILE 7 -1.182 -4.750 1.161 51 HD12 ILE 7 1HD1 ILE 7 -0.368 -3.427 2.062 52 HD13 ILE 7 2HD1 ILE 7 -1.031 -4.841 2.948 53 H THR 8 H THR 8 -6.784 -3.474 0.682 54 HA THR 8 HA THR 8 -8.592 -5.285 2.048 55 HB THR 8 HB THR 8 -10.213 -4.585 0.303 56 HG1 THR 8 HG1 THR 8 -9.514 -2.908 -1.211 57 HG21 THR 8 3HG2 THR 8 -8.676 -2.250 1.544 58 HG22 THR 8 1HG2 THR 8 -10.357 -2.188 0.915 59 HG23 THR 8 2HG2 THR 8 -9.968 -3.211 2.339 60 H THR 9 H THR 9 -6.382 -5.191 -0.764 61 HA THR 9 HA THR 9 -6.841 -8.032 -1.051 62 HB THR 9 HB THR 9 -8.425 -6.965 -2.685 63 HG1 THR 9 HG1 THR 9 -6.564 -7.976 -4.487 64 HG21 THR 9 3HG2 THR 9 -5.852 -5.865 -3.917 65 HG22 THR 9 1HG2 THR 9 -7.489 -5.785 -4.651 66 HG23 THR 9 2HG2 THR 9 -7.145 -4.903 -3.125 67 H TRP 10 H TRP 10 -4.948 -9.136 -1.747 68 HA TRP 10 HA TRP 10 -2.799 -7.566 -2.914 69 HB2 TRP 10 2HB TRP 10 -2.427 -7.321 -0.478 70 HB3 TRP 10 3HB TRP 10 -2.517 -9.074 -0.269 71 HD1 TRP 10 HD1 TRP 10 -0.342 -6.592 -2.407 72 HE1 TRP 10 HE1 TRP 10 2.090 -7.472 -2.401 73 HE3 TRP 10 HE3 TRP 10 -1.042 -10.868 0.356 74 HZ2 TRP 10 HZ2 TRP 10 3.521 -9.664 -1.372 75 HZ3 TRP 10 HZ3 TRP 10 0.927 -12.323 0.819 76 HH2 TRP 10 HH2 TRP 10 3.152 -11.739 -0.020 77 H PHE 11 H PHE 11 -1.924 -8.759 -4.564 78 HA PHE 11 HA PHE 11 -2.184 -11.693 -4.343 79 HB2 PHE 11 2HB PHE 11 -2.111 -9.870 -6.797 80 HB3 PHE 11 3HB PHE 11 -2.081 -11.638 -6.855 81 HD1 PHE 11 HD1 PHE 11 -4.074 -12.953 -6.195 82 HD2 PHE 11 HD2 PHE 11 -4.145 -8.659 -6.300 83 HE1 PHE 11 HE1 PHE 11 -6.549 -12.994 -6.161 84 HE2 PHE 11 HE2 PHE 11 -6.621 -8.700 -6.262 85 HZ PHE 11 HZ PHE 11 -7.827 -10.867 -6.192 86 H LYS 12 H LYS 12 -0.224 -12.492 -3.652 87 HA LYS 12 HA LYS 12 2.217 -11.157 -4.024 88 HB2 LYS 12 2HB LYS 12 1.719 -12.862 -2.266 89 HB3 LYS 12 3HB LYS 12 1.630 -14.114 -3.512 90 HG2 LYS 12 2HG LYS 12 4.010 -13.776 -4.076 91 HG3 LYS 12 3HG LYS 12 4.120 -12.435 -2.929 92 HD2 LYS 12 2HD LYS 12 3.557 -13.980 -1.051 93 HD3 LYS 12 3HD LYS 12 3.410 -15.324 -2.191 94 HE2 LYS 12 2HE LYS 12 5.811 -14.983 -2.870 95 HE3 LYS 12 3HE LYS 12 5.946 -13.681 -1.680 96 HZ1 LYS 12 3HZ LYS 12 5.303 -16.493 -1.059 97 HZ2 LYS 12 1HZ LYS 12 6.742 -15.763 -0.808 98 HZ3 LYS 12 2HZ LYS 12 5.428 -15.291 0.039 99 H ASP 13 H ASP 13 0.493 -13.659 -6.000 100 HA ASP 13 HA ASP 13 2.856 -14.229 -7.533 101 HB2 ASP 13 2HB ASP 13 -0.085 -15.010 -7.735 102 HB3 ASP 13 3HB ASP 13 1.115 -15.510 -8.934 103 H LYS 14 H LYS 14 -0.006 -12.069 -7.828 104 HA LYS 14 HA LYS 14 0.576 -11.669 -10.663 105 HB2 LYS 14 2HB LYS 14 -1.680 -10.680 -8.852 106 HB3 LYS 14 3HB LYS 14 -1.554 -10.353 -10.585 107 HG2 LYS 14 2HG LYS 14 -1.661 -12.827 -11.031 108 HG3 LYS 14 3HG LYS 14 -1.862 -13.111 -9.297 109 HD2 LYS 14 2HD LYS 14 -3.932 -11.681 -9.319 110 HD3 LYS 14 3HD LYS 14 -3.738 -11.445 -11.061 111 HE2 LYS 14 2HE LYS 14 -3.912 -13.911 -11.420 112 HE3 LYS 14 3HE LYS 14 -4.090 -14.156 -9.677 113 HZ1 LYS 14 3HZ LYS 14 -5.946 -12.614 -11.376 114 HZ2 LYS 14 1HZ LYS 14 -6.212 -14.113 -10.785 115 HZ3 LYS 14 2HZ LYS 14 -6.110 -12.840 -9.767 116 H GLY 15 H GLY 15 0.958 -10.079 -7.485 117 HA2 GLY 15 2HA GLY 15 2.206 -8.254 -7.003 118 HA3 GLY 15 3HA GLY 15 2.545 -8.027 -8.723 119 H PHE 16 H PHE 16 -0.839 -8.326 -7.568 120 HA PHE 16 HA PHE 16 -1.097 -5.402 -7.870 121 HB2 PHE 16 2HB PHE 16 -3.085 -7.675 -8.334 122 HB3 PHE 16 3HB PHE 16 -3.544 -5.968 -8.280 123 HD1 PHE 16 HD1 PHE 16 -1.295 -8.377 -10.071 124 HD2 PHE 16 HD2 PHE 16 -3.400 -4.633 -10.207 125 HE1 PHE 16 HE1 PHE 16 -0.742 -8.150 -12.475 126 HE2 PHE 16 HE2 PHE 16 -2.851 -4.412 -12.610 127 HZ PHE 16 HZ PHE 16 -1.520 -6.170 -13.748 128 H GLY 17 H GLY 17 -1.809 -4.219 -6.103 129 HA2 GLY 17 2HA GLY 17 -3.427 -5.558 -4.098 130 HA3 GLY 17 3HA GLY 17 -1.824 -5.045 -3.556 131 H PHE 18 H PHE 18 -4.344 -4.002 -2.518 132 HA PHE 18 HA PHE 18 -4.138 -1.220 -3.492 133 HB2 PHE 18 2HB PHE 18 -6.528 -2.800 -2.433 134 HB3 PHE 18 3HB PHE 18 -6.522 -1.039 -2.593 135 HD1 PHE 18 HD1 PHE 18 -4.703 -1.226 -5.217 136 HD2 PHE 18 HD2 PHE 18 -8.420 -2.988 -3.982 137 HE1 PHE 18 HE1 PHE 18 -5.391 -1.436 -7.586 138 HE2 PHE 18 HE2 PHE 18 -9.106 -3.203 -6.350 139 HZ PHE 18 HZ PHE 18 -7.592 -2.426 -8.158 140 H ILE 19 H ILE 19 -4.172 0.463 -1.885 141 HA ILE 19 HA ILE 19 -4.043 -0.524 0.879 142 HB ILE 19 HB ILE 19 -2.381 1.673 -0.454 143 HG12 ILE 19 2HG1 ILE 19 -1.525 -0.846 1.043 144 HG13 ILE 19 3HG1 ILE 19 -1.670 -0.746 -0.717 145 HG21 ILE 19 1HG2 ILE 19 -1.397 2.050 1.783 146 HG22 ILE 19 2HG2 ILE 19 -3.153 2.424 1.753 147 HG23 ILE 19 3HG2 ILE 19 -2.574 0.893 2.491 148 HD11 ILE 19 3HD1 ILE 19 0.181 0.949 1.019 149 HD12 ILE 19 1HD1 ILE 19 0.658 -0.449 -0.003 150 HD13 ILE 19 2HD1 ILE 19 0.034 1.051 -0.768 151 H LYS 20 H LYS 20 -5.476 0.478 2.290 152 HA LYS 20 HA LYS 20 -6.721 2.975 1.351 153 HB2 LYS 20 2HB LYS 20 -8.216 1.053 1.912 154 HB3 LYS 20 3HB LYS 20 -7.543 1.015 3.547 155 HG2 LYS 20 2HG LYS 20 -8.395 3.335 3.941 156 HG3 LYS 20 3HG LYS 20 -9.087 3.350 2.314 157 HD2 LYS 20 2HD LYS 20 -10.491 1.355 2.900 158 HD3 LYS 20 3HD LYS 20 -9.807 1.359 4.531 159 HE2 LYS 20 2HE LYS 20 -10.705 3.655 4.914 160 HE3 LYS 20 3HE LYS 20 -11.366 3.678 3.274 161 HZ1 LYS 20 3HZ LYS 20 -12.143 1.778 5.394 162 HZ2 LYS 20 1HZ LYS 20 -13.022 3.056 4.887 163 HZ3 LYS 20 2HZ LYS 20 -12.753 1.799 3.880 164 H ASP 21 H ASP 21 -6.120 4.893 2.299 165 HA ASP 21 HA ASP 21 -4.080 4.664 4.360 166 HB2 ASP 21 2HB ASP 21 -4.015 6.075 2.147 167 HB3 ASP 21 3HB ASP 21 -5.053 7.210 3.019 168 H GLU 22 H GLU 22 -4.088 6.429 6.147 169 HA GLU 22 HA GLU 22 -6.490 6.382 7.612 170 HB2 GLU 22 2HB GLU 22 -3.992 8.132 7.734 171 HB3 GLU 22 3HB GLU 22 -5.314 8.260 8.901 172 HG2 GLU 22 2HG GLU 22 -4.975 5.874 9.550 173 HG3 GLU 22 3HG GLU 22 -3.656 5.742 8.379 174 H ASN 23 H ASN 23 -5.382 8.441 4.946 175 HA ASN 23 HA ASN 23 -7.289 10.519 5.582 176 HB2 ASN 23 2HB ASN 23 -5.422 10.012 3.240 177 HB3 ASN 23 3HB ASN 23 -6.575 11.352 3.283 178 HD21 ASN 23 1HD2 ASN 23 -3.778 11.579 3.086 179 HD22 ASN 23 2HD2 ASN 23 -3.248 12.495 4.457 180 H GLY 24 H GLY 24 -7.426 7.373 4.145 181 HA2 GLY 24 2HA GLY 24 -9.456 6.427 3.555 182 HA3 GLY 24 3HA GLY 24 -10.113 8.027 3.186 183 H ASP 25 H ASP 25 -7.007 7.950 1.811 184 HA ASP 25 HA ASP 25 -8.070 7.797 -0.819 185 HB2 ASP 25 2HB ASP 25 -5.264 7.920 0.362 186 HB3 ASP 25 3HB ASP 25 -5.544 7.799 -1.380 187 H ASN 26 H ASN 26 -7.953 6.143 -2.378 188 HA ASN 26 HA ASN 26 -7.010 3.559 -1.341 189 HB2 ASN 26 2HB ASN 26 -9.388 3.673 -1.993 190 HB3 ASN 26 3HB ASN 26 -8.925 4.198 -3.617 191 HD21 ASN 26 1HD2 ASN 26 -10.482 1.975 -3.121 192 HD22 ASN 26 2HD2 ASN 26 -9.624 0.582 -3.688 193 H ARG 27 H ARG 27 -4.963 3.029 -2.017 194 HA ARG 27 HA ARG 27 -4.114 4.157 -4.599 195 HB2 ARG 27 2HB ARG 27 -2.495 3.439 -2.144 196 HB3 ARG 27 3HB ARG 27 -1.801 3.870 -3.712 197 HG2 ARG 27 2HG ARG 27 -2.945 6.085 -3.590 198 HG3 ARG 27 3HG ARG 27 -3.592 5.651 -2.003 199 HD2 ARG 27 2HD ARG 27 -1.350 5.489 -1.091 200 HD3 ARG 27 3HD ARG 27 -0.649 5.803 -2.684 201 HE ARG 27 HE ARG 27 -1.289 8.071 -2.514 202 HH11 ARG 27 1HH1 ARG 27 -2.285 6.258 0.327 203 HH12 ARG 27 2HH1 ARG 27 -2.492 7.676 1.300 204 HH21 ARG 27 1HH2 ARG 27 -1.569 9.880 -1.257 205 HH22 ARG 27 2HH2 ARG 27 -2.082 9.754 0.393 206 H TYR 28 H TYR 28 -3.206 2.801 -6.189 207 HA TYR 28 HA TYR 28 -3.099 -0.055 -5.514 208 HB2 TYR 28 2HB TYR 28 -4.329 0.330 -7.516 209 HB3 TYR 28 3HB TYR 28 -3.189 1.551 -8.095 210 HD1 TYR 28 HD1 TYR 28 -3.256 -2.103 -7.159 211 HD2 TYR 28 HD2 TYR 28 -1.646 0.934 -9.730 212 HE1 TYR 28 HE1 TYR 28 -2.062 -3.841 -8.455 213 HE2 TYR 28 HE2 TYR 28 -0.450 -0.799 -11.031 214 HH TYR 28 HH TYR 28 -1.172 -4.079 -10.838 215 H PHE 29 H PHE 29 -1.163 -1.183 -5.402 216 HA PHE 29 HA PHE 29 1.270 0.336 -6.070 217 HB2 PHE 29 2HB PHE 29 2.273 -0.231 -3.976 218 HB3 PHE 29 3HB PHE 29 0.692 0.463 -3.596 219 HD1 PHE 29 HD1 PHE 29 -1.149 -0.963 -2.788 220 HD2 PHE 29 HD2 PHE 29 2.753 -2.576 -3.571 221 HE1 PHE 29 HE1 PHE 29 -1.727 -2.989 -1.486 222 HE2 PHE 29 HE2 PHE 29 2.177 -4.605 -2.272 223 HZ PHE 29 HZ PHE 29 -0.066 -4.818 -1.231 224 H HIS 30 H HIS 30 3.208 -1.082 -6.371 225 HA HIS 30 HA HIS 30 2.424 -3.837 -7.056 226 HB2 HIS 30 2HB HIS 30 4.905 -2.260 -7.894 227 HB3 HIS 30 3HB HIS 30 4.419 -3.857 -8.477 228 HD2 HIS 30 HD2 HIS 30 2.660 -3.836 -10.623 229 HE1 HIS 30 HE1 HIS 30 1.949 0.386 -10.663 230 H VAL 31 H VAL 31 3.720 -5.619 -6.299 231 HA VAL 31 HA VAL 31 4.752 -5.351 -3.735 232 HB VAL 31 HB VAL 31 5.703 -7.634 -4.128 233 HG11 VAL 31 1HG1 VAL 31 3.547 -8.761 -4.592 234 HG12 VAL 31 2HG1 VAL 31 3.347 -7.367 -3.477 235 HG13 VAL 31 3HG1 VAL 31 2.874 -7.211 -5.202 236 HG21 VAL 31 3HG2 VAL 31 6.423 -7.336 -6.458 237 HG22 VAL 31 1HG2 VAL 31 5.318 -8.743 -6.306 238 HG23 VAL 31 2HG2 VAL 31 4.712 -7.193 -6.983 239 H ILE 32 H ILE 32 6.231 -4.728 -6.898 240 HA ILE 32 HA ILE 32 8.914 -4.969 -5.950 241 HB ILE 32 HB ILE 32 9.509 -3.903 -8.103 242 HG12 ILE 32 2HG1 ILE 32 6.501 -3.637 -8.557 243 HG13 ILE 32 3HG1 ILE 32 7.555 -2.298 -8.087 244 HG21 ILE 32 1HG2 ILE 32 8.523 -5.591 -9.615 245 HG22 ILE 32 2HG2 ILE 32 9.046 -6.314 -8.056 246 HG23 ILE 32 3HG2 ILE 32 7.305 -5.999 -8.360 247 HD11 ILE 32 3HD1 ILE 32 7.808 -3.953 -10.638 248 HD12 ILE 32 1HD1 ILE 32 7.142 -2.291 -10.505 249 HD13 ILE 32 2HD1 ILE 32 8.878 -2.593 -10.160 250 H LYS 33 H LYS 33 6.384 -2.544 -5.688 251 HA LYS 33 HA LYS 33 8.335 -0.422 -5.209 252 HB2 LYS 33 2HB LYS 33 5.277 -0.448 -5.204 253 HB3 LYS 33 3HB LYS 33 6.286 0.985 -4.964 254 HG2 LYS 33 2HG LYS 33 6.229 -0.734 -7.495 255 HG3 LYS 33 3HG LYS 33 5.396 0.812 -7.285 256 HD2 LYS 33 2HD LYS 33 7.601 1.934 -6.865 257 HD3 LYS 33 3HD LYS 33 8.427 0.387 -7.096 258 HE2 LYS 33 2HE LYS 33 7.474 0.250 -9.422 259 HE3 LYS 33 3HE LYS 33 6.707 1.826 -9.185 260 HZ1 LYS 33 3HZ LYS 33 9.612 1.316 -9.086 261 HZ2 LYS 33 1HZ LYS 33 8.808 2.026 -10.317 262 HZ3 LYS 33 2HZ LYS 33 8.905 2.771 -8.867 263 H VAL 34 H VAL 34 7.401 -3.022 -3.438 264 HA VAL 34 HA VAL 34 6.938 -1.461 -1.000 265 HB VAL 34 HB VAL 34 6.611 -4.454 -1.561 266 HG11 VAL 34 1HG1 VAL 34 5.504 -4.517 0.655 267 HG12 VAL 34 2HG1 VAL 34 7.221 -4.005 0.781 268 HG13 VAL 34 3HG1 VAL 34 5.908 -2.784 0.901 269 HG21 VAL 34 3HG2 VAL 34 4.935 -3.088 -2.725 270 HG22 VAL 34 1HG2 VAL 34 4.190 -3.991 -1.363 271 HG23 VAL 34 2HG2 VAL 34 4.543 -2.239 -1.191 272 H ALA 35 H ALA 35 8.374 -1.604 0.783 273 HA ALA 35 HA ALA 35 11.047 -2.332 0.141 274 HB1 ALA 35 3HB ALA 35 9.699 -1.597 2.785 275 HB2 ALA 35 1HB ALA 35 11.470 -1.688 2.501 276 HB3 ALA 35 2HB ALA 35 10.484 -0.460 1.638 277 H ASN 36 H ASN 36 8.445 -3.835 2.200 278 HA ASN 36 HA ASN 36 9.995 -6.318 1.979 279 HB2 ASN 36 2HB ASN 36 8.688 -5.205 4.488 280 HB3 ASN 36 3HB ASN 36 9.192 -6.890 4.300 281 HD21 ASN 36 1HD2 ASN 36 10.116 -3.750 5.127 282 HD22 ASN 36 2HD2 ASN 36 11.797 -4.062 5.398 283 HA PRO 37 HA PRO 37 5.628 -6.794 0.507 284 HB2 PRO 37 2HB PRO 37 6.341 -8.477 -1.606 285 HB3 PRO 37 3HB PRO 37 6.366 -6.716 -1.772 286 HG2 PRO 37 2HG PRO 37 8.663 -8.608 -1.159 287 HG3 PRO 37 3HG PRO 37 8.614 -7.255 -2.298 288 HD2 PRO 37 2HD PRO 37 9.769 -6.948 0.134 289 HD3 PRO 37 3HD PRO 37 8.842 -5.622 -0.581 290 H ASP 38 H ASP 38 8.146 -9.017 1.569 291 HA ASP 38 HA ASP 38 6.455 -11.296 1.660 292 HB2 ASP 38 2HB ASP 38 9.011 -10.465 3.099 293 HB3 ASP 38 3HB ASP 38 8.207 -12.008 3.415 294 H LEU 39 H LEU 39 6.799 -8.390 3.688 295 HA LEU 39 HA LEU 39 5.507 -9.757 5.937 296 HB2 LEU 39 2HB LEU 39 6.747 -6.977 5.646 297 HB3 LEU 39 3HB LEU 39 6.051 -7.631 7.134 298 HG LEU 39 HG LEU 39 8.485 -8.780 5.666 299 HD11 LEU 39 1HD1 LEU 39 9.744 -7.923 7.607 300 HD12 LEU 39 2HD1 LEU 39 8.927 -6.596 6.714 301 HD13 LEU 39 3HD1 LEU 39 8.240 -7.192 8.263 302 HD21 LEU 39 3HD2 LEU 39 7.155 -10.498 6.836 303 HD22 LEU 39 1HD2 LEU 39 8.709 -10.193 7.683 304 HD23 LEU 39 2HD2 LEU 39 7.182 -9.507 8.333 305 H ILE 40 H ILE 40 4.596 -8.049 3.120 306 HA ILE 40 HA ILE 40 2.613 -6.360 4.091 307 HB ILE 40 HB ILE 40 2.937 -7.931 1.494 308 HG12 ILE 40 2HG1 ILE 40 4.515 -6.063 1.988 309 HG13 ILE 40 3HG1 ILE 40 3.526 -5.789 0.548 310 HG21 ILE 40 1HG2 ILE 40 1.092 -6.572 0.563 311 HG22 ILE 40 2HG2 ILE 40 0.529 -7.641 1.891 312 HG23 ILE 40 3HG2 ILE 40 0.777 -5.888 2.193 313 HD11 ILE 40 3HD1 ILE 40 3.028 -4.588 3.309 314 HD12 ILE 40 1HD1 ILE 40 3.727 -3.742 1.887 315 HD13 ILE 40 2HD1 ILE 40 2.023 -4.309 1.847 316 H LYS 41 H LYS 41 0.607 -6.727 5.008 317 HA LYS 41 HA LYS 41 -0.593 -9.383 4.560 318 HB2 LYS 41 2HB LYS 41 -0.512 -7.772 7.156 319 HB3 LYS 41 3HB LYS 41 -1.470 -9.236 6.897 320 HG2 LYS 41 2HG LYS 41 1.576 -9.142 6.650 321 HG3 LYS 41 3HG LYS 41 0.723 -9.567 8.140 322 HD2 LYS 41 2HD LYS 41 -0.467 -11.415 6.871 323 HD3 LYS 41 3HD LYS 41 0.520 -11.029 5.455 324 HE2 LYS 41 2HE LYS 41 2.595 -11.490 6.769 325 HE3 LYS 41 3HE LYS 41 1.615 -11.862 8.194 326 HZ1 LYS 41 3HZ LYS 41 1.526 -13.332 5.637 327 HZ2 LYS 41 1HZ LYS 41 2.244 -13.845 7.011 328 HZ3 LYS 41 2HZ LYS 41 0.621 -13.675 6.952 329 H LYS 42 H LYS 42 -3.067 -9.247 5.320 330 HA LYS 42 HA LYS 42 -4.316 -7.200 3.817 331 HB2 LYS 42 2HB LYS 42 -5.336 -9.204 5.883 332 HB3 LYS 42 3HB LYS 42 -6.393 -8.118 4.971 333 HG2 LYS 42 2HG LYS 42 -5.568 -9.138 2.832 334 HG3 LYS 42 3HG LYS 42 -4.552 -10.245 3.765 335 HD2 LYS 42 2HD LYS 42 -6.600 -11.132 4.919 336 HD3 LYS 42 3HD LYS 42 -7.605 -10.044 3.954 337 HE2 LYS 42 2HE LYS 42 -6.775 -11.130 1.859 338 HE3 LYS 42 3HE LYS 42 -5.762 -12.215 2.822 339 HZ1 LYS 42 3HZ LYS 42 -8.706 -12.074 2.953 340 HZ2 LYS 42 1HZ LYS 42 -7.837 -13.245 2.219 341 HZ3 LYS 42 2HZ LYS 42 -7.771 -13.075 3.841 342 H ASP 43 H ASP 43 -5.060 -7.849 7.319 343 HA ASP 43 HA ASP 43 -5.570 -5.006 7.602 344 HB2 ASP 43 2HB ASP 43 -6.009 -7.452 9.374 345 HB3 ASP 43 3HB ASP 43 -6.335 -5.801 9.919 346 H ALA 44 H ALA 44 -2.921 -7.223 8.178 347 HA ALA 44 HA ALA 44 -2.206 -6.007 10.716 348 HB1 ALA 44 3HB ALA 44 -0.946 -8.243 9.052 349 HB2 ALA 44 1HB ALA 44 -0.444 -7.757 10.706 350 HB3 ALA 44 2HB ALA 44 -2.077 -8.451 10.432 351 H ALA 45 H ALA 45 -1.496 -5.524 7.324 352 HA ALA 45 HA ALA 45 1.116 -4.417 7.745 353 HB1 ALA 45 3HB ALA 45 -0.906 -4.141 5.467 354 HB2 ALA 45 1HB ALA 45 0.807 -3.603 5.419 355 HB3 ALA 45 2HB ALA 45 0.417 -5.350 5.575 356 H VAL 46 H VAL 46 1.571 -2.040 7.133 357 HA VAL 46 HA VAL 46 -0.592 -0.354 8.189 358 HB VAL 46 HB VAL 46 1.165 1.094 9.194 359 HG11 VAL 46 1HG1 VAL 46 1.784 -0.410 11.062 360 HG12 VAL 46 2HG1 VAL 46 0.069 -0.623 10.572 361 HG13 VAL 46 3HG1 VAL 46 1.302 -1.829 10.072 362 HG21 VAL 46 3HG2 VAL 46 3.020 0.526 7.687 363 HG22 VAL 46 1HG2 VAL 46 3.482 0.253 9.401 364 HG23 VAL 46 2HG2 VAL 46 3.065 -1.142 8.350 365 H THR 47 H THR 47 -0.236 2.062 7.531 366 HA THR 47 HA THR 47 0.187 2.075 4.694 367 HB THR 47 HB THR 47 -1.652 3.347 5.906 368 HG1 THR 47 HG1 THR 47 -1.347 5.257 4.558 369 HG21 THR 47 3HG2 THR 47 0.690 5.141 6.707 370 HG22 THR 47 1HG2 THR 47 -1.051 5.521 6.929 371 HG23 THR 47 2HG2 THR 47 -0.313 4.146 7.817 372 H PHE 48 H PHE 48 1.217 4.869 4.475 373 HA PHE 48 HA PHE 48 4.005 4.452 5.078 374 HB2 PHE 48 2HB PHE 48 4.708 3.866 2.855 375 HB3 PHE 48 3HB PHE 48 3.497 2.681 3.361 376 HD1 PHE 48 HD1 PHE 48 1.059 3.059 2.572 377 HD2 PHE 48 HD2 PHE 48 4.447 5.056 0.847 378 HE1 PHE 48 HE1 PHE 48 -0.259 3.530 0.530 379 HE2 PHE 48 HE2 PHE 48 3.127 5.533 -1.193 380 HZ PHE 48 HZ PHE 48 0.773 4.768 -1.357 381 H GLU 49 H GLU 49 5.314 5.965 3.339 382 HA GLU 49 HA GLU 49 4.539 8.558 3.918 383 HB2 GLU 49 2HB GLU 49 6.334 7.359 1.767 384 HB3 GLU 49 3HB GLU 49 6.138 9.105 1.966 385 HG2 GLU 49 2HG GLU 49 6.968 8.931 4.313 386 HG3 GLU 49 3HG GLU 49 7.166 7.185 4.114 387 HA PRO 50 HA PRO 50 1.191 9.253 1.208 388 HB2 PRO 50 2HB PRO 50 1.231 12.058 1.253 389 HB3 PRO 50 3HB PRO 50 0.645 11.105 2.623 390 HG2 PRO 50 2HG PRO 50 3.387 12.336 2.189 391 HG3 PRO 50 3HG PRO 50 2.386 12.341 3.648 392 HD2 PRO 50 2HD PRO 50 4.437 10.593 3.424 393 HD3 PRO 50 3HD PRO 50 2.927 10.082 4.189 394 H THR 51 H THR 51 0.586 9.662 -0.892 395 HA THR 51 HA THR 51 2.356 11.174 -2.565 396 HB THR 51 HB THR 51 3.537 8.993 -2.528 397 HG1 THR 51 HG1 THR 51 3.447 8.646 -4.866 398 HG21 THR 51 3HG2 THR 51 0.896 7.877 -3.594 399 HG22 THR 51 1HG2 THR 51 2.445 6.977 -3.469 400 HG23 THR 51 2HG2 THR 51 1.614 7.545 -1.981 401 H THR 52 H THR 52 1.411 11.494 -4.769 402 HA THR 52 HA THR 52 -1.235 10.435 -5.191 403 HB THR 52 HB THR 52 -1.663 12.389 -3.695 404 HG1 THR 52 HG1 THR 52 -3.147 13.452 -5.199 405 HG21 THR 52 3HG2 THR 52 -0.339 13.984 -5.943 406 HG22 THR 52 1HG2 THR 52 -1.198 14.676 -4.525 407 HG23 THR 52 2HG2 THR 52 0.316 13.738 -4.288 408 H ASN 53 H ASN 53 -2.000 10.842 -7.413 409 HA ASN 53 HA ASN 53 -0.052 12.181 -9.141 410 HB2 ASN 53 2HB ASN 53 0.336 9.656 -9.056 411 HB3 ASN 53 3HB ASN 53 -1.245 9.477 -9.827 412 HD21 ASN 53 1HD2 ASN 53 -0.141 8.465 -11.547 413 HD22 ASN 53 2HD2 ASN 53 0.566 9.427 -12.802 414 H ASN 54 H ASN 54 -0.984 12.898 -11.216 415 HA ASN 54 HA ASN 54 -3.669 13.777 -10.803 416 HB2 ASN 54 2HB ASN 54 -1.668 14.106 -13.062 417 HB3 ASN 54 3HB ASN 54 -3.309 14.763 -13.130 418 HD21 ASN 54 1HD2 ASN 54 -1.009 16.304 -13.288 419 HD22 ASN 54 2HD2 ASN 54 -1.003 17.385 -11.934 420 H LYS 55 H LYS 55 -2.180 10.992 -12.355 421 HA LYS 55 HA LYS 55 -4.448 10.563 -14.118 422 HB2 LYS 55 2HB LYS 55 -1.943 8.936 -13.477 423 HB3 LYS 55 3HB LYS 55 -3.180 8.441 -14.640 424 HG2 LYS 55 2HG LYS 55 -2.728 10.469 -16.006 425 HG3 LYS 55 3HG LYS 55 -1.517 11.002 -14.833 426 HD2 LYS 55 2HD LYS 55 -0.195 8.918 -15.246 427 HD3 LYS 55 3HD LYS 55 -1.409 8.377 -16.412 428 HE2 LYS 55 2HE LYS 55 -0.981 10.415 -17.801 429 HE3 LYS 55 3HE LYS 55 0.236 10.952 -16.636 430 HZ1 LYS 55 3HZ LYS 55 0.361 8.449 -18.194 431 HZ2 LYS 55 1HZ LYS 55 1.229 9.801 -18.485 432 HZ3 LYS 55 2HZ LYS 55 1.485 8.945 -17.118 433 H GLY 56 H GLY 56 -3.784 10.081 -10.778 434 HA2 GLY 56 2HA GLY 56 -5.984 9.154 -9.851 435 HA3 GLY 56 3HA GLY 56 -5.500 7.683 -10.706 436 H LEU 57 H LEU 57 -5.888 7.531 -7.949 437 HA LEU 57 HA LEU 57 -3.514 8.167 -6.493 438 HB2 LEU 57 2HB LEU 57 -5.955 6.430 -5.895 439 HB3 LEU 57 3HB LEU 57 -4.667 6.751 -4.727 440 HG LEU 57 HG LEU 57 -6.380 8.932 -6.027 441 HD11 LEU 57 1HD1 LEU 57 -7.527 9.041 -3.844 442 HD12 LEU 57 2HD1 LEU 57 -7.746 7.438 -4.624 443 HD13 LEU 57 3HD1 LEU 57 -6.578 7.627 -3.272 444 HD21 LEU 57 3HD2 LEU 57 -4.141 9.663 -5.286 445 HD22 LEU 57 1HD2 LEU 57 -5.425 10.332 -4.224 446 HD23 LEU 57 2HD2 LEU 57 -4.435 8.941 -3.668 447 H SER 58 H SER 58 -1.674 6.969 -6.169 448 HA SER 58 HA SER 58 -1.812 4.080 -6.453 449 HB2 SER 58 2HB SER 58 0.013 3.993 -8.078 450 HB3 SER 58 3HB SER 58 -1.384 4.837 -8.760 451 HG SER 58 HG SER 58 1.172 5.735 -8.342 452 H ALA 59 H ALA 59 0.439 3.098 -5.854 453 HA ALA 59 HA ALA 59 1.341 4.723 -3.560 454 HB1 ALA 59 3HB ALA 59 0.720 1.732 -3.714 455 HB2 ALA 59 1HB ALA 59 1.402 2.589 -2.291 456 HB3 ALA 59 2HB ALA 59 -0.255 2.980 -2.865 457 H TYR 60 H TYR 60 3.543 4.795 -3.151 458 HA TYR 60 HA TYR 60 5.227 2.849 -4.550 459 HB2 TYR 60 2HB TYR 60 5.726 5.864 -4.587 460 HB3 TYR 60 3HB TYR 60 6.714 4.612 -5.353 461 HD1 TYR 60 HD1 TYR 60 5.808 3.345 -7.332 462 HD2 TYR 60 HD2 TYR 60 3.747 6.720 -5.659 463 HE1 TYR 60 HE1 TYR 60 4.480 3.561 -9.408 464 HE2 TYR 60 HE2 TYR 60 2.413 6.937 -7.732 465 HH TYR 60 HH TYR 60 2.520 4.481 -10.260 466 H ALA 61 H ALA 61 7.405 2.656 -3.592 467 HA ALA 61 HA ALA 61 8.759 2.441 -1.846 468 HB1 ALA 61 3HB ALA 61 7.860 5.323 -1.349 469 HB2 ALA 61 1HB ALA 61 9.306 4.538 -0.630 470 HB3 ALA 61 2HB ALA 61 9.215 4.797 -2.405 471 H VAL 62 H VAL 62 6.542 1.050 -1.220 472 HA VAL 62 HA VAL 62 5.208 2.132 1.069 473 HB VAL 62 HB VAL 62 5.166 -0.639 -0.232 474 HG11 VAL 62 1HG1 VAL 62 3.106 -1.015 1.091 475 HG12 VAL 62 2HG1 VAL 62 4.542 -0.774 2.142 476 HG13 VAL 62 3HG1 VAL 62 3.358 0.557 1.921 477 HG21 VAL 62 3HG2 VAL 62 4.304 1.151 -1.676 478 HG22 VAL 62 1HG2 VAL 62 2.970 0.092 -1.107 479 HG23 VAL 62 2HG2 VAL 62 3.215 1.707 -0.360 480 H LYS 63 H LYS 63 5.584 1.682 3.257 481 HA LYS 63 HA LYS 63 7.936 -0.027 3.770 482 HB2 LYS 63 2HB LYS 63 8.351 2.420 4.046 483 HB3 LYS 63 3HB LYS 63 7.016 2.512 5.202 484 HG2 LYS 63 2HG LYS 63 8.212 0.998 6.750 485 HG3 LYS 63 3HG LYS 63 9.525 0.805 5.582 486 HD2 LYS 63 2HD LYS 63 9.972 3.272 5.689 487 HD3 LYS 63 3HD LYS 63 8.672 3.450 6.875 488 HE2 LYS 63 2HE LYS 63 9.857 1.963 8.455 489 HE3 LYS 63 3HE LYS 63 11.122 1.653 7.259 490 HZ1 LYS 63 3HZ LYS 63 10.506 4.285 8.440 491 HZ2 LYS 63 1HZ LYS 63 11.780 3.338 8.825 492 HZ3 LYS 63 2HZ LYS 63 11.674 3.999 7.336 493 H VAL 64 H VAL 64 7.604 -1.746 5.128 494 HA VAL 64 HA VAL 64 5.042 -1.809 6.529 495 HB VAL 64 HB VAL 64 7.106 -4.000 5.967 496 HG11 VAL 64 1HG1 VAL 64 5.350 -5.555 6.760 497 HG12 VAL 64 2HG1 VAL 64 5.869 -4.419 8.050 498 HG13 VAL 64 3HG1 VAL 64 4.313 -4.155 7.193 499 HG21 VAL 64 3HG2 VAL 64 5.959 -3.217 3.939 500 HG22 VAL 64 1HG2 VAL 64 5.403 -4.863 4.392 501 HG23 VAL 64 2HG2 VAL 64 4.367 -3.438 4.739 502 H VAL 65 H VAL 65 4.924 -1.577 8.750 503 HA VAL 65 HA VAL 65 7.500 -1.573 10.158 504 HB VAL 65 HB VAL 65 4.873 -0.137 10.799 505 HG11 VAL 65 1HG1 VAL 65 6.152 0.952 12.617 506 HG12 VAL 65 2HG1 VAL 65 6.045 -0.827 12.846 507 HG13 VAL 65 3HG1 VAL 65 7.566 -0.088 12.239 508 HG21 VAL 65 3HG2 VAL 65 6.086 0.857 8.907 509 HG22 VAL 65 1HG2 VAL 65 6.176 1.920 10.351 510 HG23 VAL 65 2HG2 VAL 65 7.591 0.916 9.886 511 HA PRO 66 HA PRO 66 5.928 -5.140 12.350 512 HB2 PRO 66 2HB PRO 66 7.882 -5.127 14.344 513 HB3 PRO 66 3HB PRO 66 8.225 -5.724 12.715 514 HG2 PRO 66 2HG PRO 66 8.796 -2.988 13.903 515 HG3 PRO 66 3HG PRO 66 9.854 -4.017 12.928 516 HD2 PRO 66 2HD PRO 66 8.534 -1.943 11.785 517 HD3 PRO 66 3HD PRO 66 8.754 -3.455 10.894 518 H LEU 67 H LEU 67 4.508 -5.552 13.955 519 HA LEU 67 HA LEU 67 3.879 -3.186 15.600 520 HB2 LEU 67 2HB LEU 67 2.139 -5.533 14.694 521 HB3 LEU 67 3HB LEU 67 1.601 -4.188 15.708 522 HG LEU 67 HG LEU 67 2.594 -3.925 12.821 523 HD11 LEU 67 1HD1 LEU 67 0.226 -3.457 12.308 524 HD12 LEU 67 2HD1 LEU 67 0.439 -5.106 12.986 525 HD13 LEU 67 3HD1 LEU 67 -0.213 -3.788 14.017 526 HD21 LEU 67 3HD2 LEU 67 3.055 -1.937 14.210 527 HD22 LEU 67 1HD2 LEU 67 1.745 -1.611 13.025 528 HD23 LEU 67 2HD2 LEU 67 1.342 -1.910 14.749 529 H GLU 68 H GLU 68 5.478 -6.156 15.814 530 HA GLU 68 HA GLU 68 4.745 -6.341 18.663 531 HB2 GLU 68 2HB GLU 68 5.295 -8.606 16.686 532 HB3 GLU 68 3HB GLU 68 5.191 -8.813 18.440 533 HG2 GLU 68 2HG GLU 68 2.829 -7.987 18.388 534 HG3 GLU 68 3HG GLU 68 2.937 -7.811 16.631 535 H HIS 69 H HIS 69 6.480 -6.550 20.108 536 HA HIS 69 HA HIS 69 9.145 -6.879 18.933 537 HB2 HIS 69 2HB HIS 69 8.289 -4.571 20.748 538 HB3 HIS 69 3HB HIS 69 9.958 -4.948 20.300 539 HD2 HIS 69 HD2 HIS 69 6.885 -3.058 18.888 540 HE1 HIS 69 HE1 HIS 69 9.880 -3.105 15.830 541 H HIS 70 H HIS 70 10.689 -7.797 20.387 542 HA HIS 70 HA HIS 70 9.497 -9.232 22.572 543 HB2 HIS 70 2HB HIS 70 11.240 -10.174 21.017 544 HB3 HIS 70 3HB HIS 70 12.409 -9.012 21.658 545 HD2 HIS 70 HD2 HIS 70 10.830 -12.442 22.592 546 HE1 HIS 70 HE1 HIS 70 13.396 -11.264 25.811 547 H HIS 71 H HIS 71 9.966 -9.015 24.822 548 HA HIS 71 HA HIS 71 11.799 -6.947 25.659 549 HB2 HIS 71 2HB HIS 71 10.138 -5.682 26.942 550 HB3 HIS 71 3HB HIS 71 9.756 -5.630 25.216 551 HD2 HIS 71 HD2 HIS 71 8.160 -6.796 28.562 552 HE1 HIS 71 HE1 HIS 71 5.514 -7.926 25.392 553 H HIS 72 H HIS 72 11.905 -6.890 28.158 554 HA HIS 72 HA HIS 72 10.742 -9.132 29.526 555 HB2 HIS 72 2HB HIS 72 12.692 -10.148 28.258 556 HB3 HIS 72 3HB HIS 72 13.773 -9.061 29.140 557 HD2 HIS 72 HD2 HIS 72 11.891 -12.421 29.662 558 HE1 HIS 72 HE1 HIS 72 13.800 -11.411 33.358 559 H HIS 73 H HIS 73 10.839 -8.853 31.810 560 HA HIS 73 HA HIS 73 12.639 -6.956 32.963 561 HB2 HIS 73 2HB HIS 73 10.934 -5.372 33.757 562 HB3 HIS 73 3HB HIS 73 11.023 -5.373 31.990 563 HD2 HIS 73 HD2 HIS 73 8.676 -6.152 30.673 564 HE1 HIS 73 HE1 HIS 73 6.392 -6.908 34.215 565 H HIS 74 H HIS 74 11.981 -6.629 35.418 566 HA HIS 74 HA HIS 74 10.838 -9.191 36.333 567 HB2 HIS 74 2HB HIS 74 12.960 -7.399 37.620 568 HB3 HIS 74 3HB HIS 74 12.272 -8.851 38.359 569 HD2 HIS 74 HD2 HIS 74 14.877 -7.864 35.597 570 HE1 HIS 74 HE1 HIS 74 14.906 -12.124 36.027 Start of MODEL 12 1 H1 MET 1 1H MET 1 4.274 10.781 15.370 2 H2 MET 1 2H MET 1 3.240 9.575 14.995 3 H3 MET 1 3H MET 1 4.793 9.233 15.365 4 HA MET 1 HA MET 1 4.000 10.875 13.095 5 HB2 MET 1 2HB MET 1 6.593 9.441 13.843 6 HB3 MET 1 3HB MET 1 6.309 10.269 12.307 7 HG2 MET 1 2HG MET 1 6.356 11.552 15.079 8 HG3 MET 1 3HG MET 1 7.608 11.681 13.836 9 HE1 MET 1 3HE MET 1 5.917 12.215 11.058 10 HE2 MET 1 1HE MET 1 6.122 13.996 11.157 11 HE3 MET 1 2HE MET 1 7.451 12.909 11.684 12 H ALA 2 H ALA 2 4.394 7.553 14.381 13 HA ALA 2 HA ALA 2 4.349 6.268 11.853 14 HB1 ALA 2 3HB ALA 2 3.584 5.303 14.651 15 HB2 ALA 2 1HB ALA 2 3.845 4.255 13.216 16 HB3 ALA 2 2HB ALA 2 5.211 5.202 13.897 17 H MET 3 H MET 3 2.635 5.335 10.672 18 HA MET 3 HA MET 3 -0.067 5.942 11.688 19 HB2 MET 3 2HB MET 3 1.052 6.319 8.872 20 HB3 MET 3 3HB MET 3 -0.671 6.363 9.269 21 HG2 MET 3 2HG MET 3 -0.312 8.312 10.745 22 HG3 MET 3 3HG MET 3 1.429 8.247 10.444 23 HE1 MET 3 3HE MET 3 1.887 7.854 7.332 24 HE2 MET 3 1HE MET 3 1.912 9.599 6.908 25 HE3 MET 3 2HE MET 3 2.626 9.041 8.459 26 H ASN 4 H ASN 4 -1.769 4.485 10.860 27 HA ASN 4 HA ASN 4 -0.603 1.888 10.105 28 HB2 ASN 4 2HB ASN 4 -3.094 2.514 11.735 29 HB3 ASN 4 3HB ASN 4 -2.597 0.899 11.214 30 HD21 ASN 4 1HD2 ASN 4 -2.556 3.043 13.697 31 HD22 ASN 4 2HD2 ASN 4 -1.276 2.350 14.636 32 H GLY 5 H GLY 5 -1.784 0.565 8.552 33 HA2 GLY 5 2HA GLY 5 -4.085 1.875 7.280 34 HA3 GLY 5 3HA GLY 5 -2.666 1.509 6.289 35 H THR 6 H THR 6 -4.932 0.293 5.432 36 HA THR 6 HA THR 6 -4.456 -2.477 6.270 37 HB THR 6 HB THR 6 -7.165 -1.173 5.675 38 HG1 THR 6 HG1 THR 6 -7.571 -1.839 7.906 39 HG21 THR 6 3HG2 THR 6 -6.446 -4.072 6.334 40 HG22 THR 6 1HG2 THR 6 -8.108 -3.409 6.176 41 HG23 THR 6 2HG2 THR 6 -7.020 -3.456 4.748 42 H ILE 7 H ILE 7 -4.180 -3.923 4.544 43 HA ILE 7 HA ILE 7 -4.572 -2.872 1.872 44 HB ILE 7 HB ILE 7 -3.513 -5.550 2.916 45 HG12 ILE 7 2HG1 ILE 7 -2.054 -3.244 1.546 46 HG13 ILE 7 3HG1 ILE 7 -2.131 -3.452 3.300 47 HG21 ILE 7 1HG2 ILE 7 -2.806 -5.965 0.584 48 HG22 ILE 7 2HG2 ILE 7 -4.592 -5.834 0.728 49 HG23 ILE 7 3HG2 ILE 7 -3.640 -4.461 0.067 50 HD11 ILE 7 3HD1 ILE 7 -0.933 -5.442 1.320 51 HD12 ILE 7 1HD1 ILE 7 -0.024 -4.328 2.397 52 HD13 ILE 7 2HD1 ILE 7 -1.011 -5.653 3.102 53 H THR 8 H THR 8 -6.370 -3.311 0.601 54 HA THR 8 HA THR 8 -8.453 -4.821 1.936 55 HB THR 8 HB THR 8 -9.934 -3.824 0.201 56 HG1 THR 8 HG1 THR 8 -8.957 -2.235 -1.252 57 HG21 THR 8 3HG2 THR 8 -8.050 -1.811 1.527 58 HG22 THR 8 1HG2 THR 8 -9.694 -1.457 0.895 59 HG23 THR 8 2HG2 THR 8 -9.488 -2.576 2.285 60 H THR 9 H THR 9 -6.509 -4.852 -1.131 61 HA THR 9 HA THR 9 -7.248 -7.667 -1.333 62 HB THR 9 HB THR 9 -7.430 -7.464 -3.815 63 HG1 THR 9 HG1 THR 9 -7.703 -5.284 -4.683 64 HG21 THR 9 3HG2 THR 9 -9.352 -5.661 -2.261 65 HG22 THR 9 1HG2 THR 9 -9.666 -6.394 -3.870 66 HG23 THR 9 2HG2 THR 9 -9.472 -7.446 -2.427 67 H TRP 10 H TRP 10 -5.578 -8.995 -2.322 68 HA TRP 10 HA TRP 10 -3.166 -7.649 -3.225 69 HB2 TRP 10 2HB TRP 10 -2.958 -7.840 -0.716 70 HB3 TRP 10 3HB TRP 10 -3.153 -9.592 -0.861 71 HD1 TRP 10 HD1 TRP 10 -0.724 -6.816 -2.193 72 HE1 TRP 10 HE1 TRP 10 1.640 -7.851 -2.380 73 HE3 TRP 10 HE3 TRP 10 -1.856 -11.647 -0.856 74 HZ2 TRP 10 HZ2 TRP 10 2.862 -10.356 -2.008 75 HZ3 TRP 10 HZ3 TRP 10 -0.019 -13.325 -0.789 76 HH2 TRP 10 HH2 TRP 10 2.281 -12.703 -1.349 77 H PHE 11 H PHE 11 -2.410 -8.746 -4.995 78 HA PHE 11 HA PHE 11 -3.114 -11.610 -5.167 79 HB2 PHE 11 2HB PHE 11 -2.847 -9.536 -7.399 80 HB3 PHE 11 3HB PHE 11 -3.136 -11.265 -7.637 81 HD1 PHE 11 HD1 PHE 11 -4.605 -8.069 -6.524 82 HD2 PHE 11 HD2 PHE 11 -5.311 -12.261 -7.141 83 HE1 PHE 11 HE1 PHE 11 -7.044 -7.685 -6.349 84 HE2 PHE 11 HE2 PHE 11 -7.749 -11.876 -6.968 85 HZ PHE 11 HZ PHE 11 -8.622 -9.587 -6.570 86 H LYS 12 H LYS 12 -1.267 -12.765 -4.733 87 HA LYS 12 HA LYS 12 1.310 -11.663 -4.974 88 HB2 LYS 12 2HB LYS 12 0.656 -13.518 -3.443 89 HB3 LYS 12 3HB LYS 12 0.385 -14.573 -4.836 90 HG2 LYS 12 2HG LYS 12 2.781 -14.428 -5.447 91 HG3 LYS 12 3HG LYS 12 3.073 -13.306 -4.111 92 HD2 LYS 12 2HD LYS 12 2.357 -15.048 -2.475 93 HD3 LYS 12 3HD LYS 12 2.024 -16.170 -3.801 94 HE2 LYS 12 2HE LYS 12 4.433 -16.024 -4.506 95 HE3 LYS 12 3HE LYS 12 4.754 -14.943 -3.144 96 HZ1 LYS 12 3HZ LYS 12 3.776 -17.718 -2.920 97 HZ2 LYS 12 1HZ LYS 12 5.299 -17.214 -2.618 98 HZ3 LYS 12 2HZ LYS 12 4.072 -16.720 -1.662 99 H ASP 13 H ASP 13 -0.617 -13.862 -7.155 100 HA ASP 13 HA ASP 13 1.665 -14.404 -8.785 101 HB2 ASP 13 2HB ASP 13 -1.330 -14.924 -9.035 102 HB3 ASP 13 3HB ASP 13 -0.180 -15.387 -10.296 103 H LYS 14 H LYS 14 -0.957 -11.962 -8.793 104 HA LYS 14 HA LYS 14 -0.309 -11.277 -11.567 105 HB2 LYS 14 2HB LYS 14 -2.549 -10.394 -9.686 106 HB3 LYS 14 3HB LYS 14 -2.344 -9.824 -11.348 107 HG2 LYS 14 2HG LYS 14 -2.588 -12.201 -12.154 108 HG3 LYS 14 3HG LYS 14 -2.889 -12.708 -10.486 109 HD2 LYS 14 2HD LYS 14 -4.863 -11.180 -10.370 110 HD3 LYS 14 3HD LYS 14 -4.557 -10.650 -12.029 111 HE2 LYS 14 2HE LYS 14 -4.870 -12.990 -12.843 112 HE3 LYS 14 3HE LYS 14 -5.155 -13.534 -11.184 113 HZ1 LYS 14 3HZ LYS 14 -6.817 -11.580 -12.643 114 HZ2 LYS 14 1HZ LYS 14 -7.207 -13.138 -12.350 115 HZ3 LYS 14 2HZ LYS 14 -7.080 -12.082 -11.112 116 H GLY 15 H GLY 15 0.180 -10.191 -8.217 117 HA2 GLY 15 2HA GLY 15 1.616 -8.604 -7.500 118 HA3 GLY 15 3HA GLY 15 2.013 -8.211 -9.178 119 H PHE 16 H PHE 16 -1.349 -8.177 -7.830 120 HA PHE 16 HA PHE 16 -1.244 -5.232 -7.997 121 HB2 PHE 16 2HB PHE 16 -3.524 -7.222 -8.402 122 HB3 PHE 16 3HB PHE 16 -3.780 -5.483 -8.200 123 HD1 PHE 16 HD1 PHE 16 -2.042 -8.010 -10.348 124 HD2 PHE 16 HD2 PHE 16 -3.569 -4.008 -10.029 125 HE1 PHE 16 HE1 PHE 16 -1.665 -7.672 -12.771 126 HE2 PHE 16 HE2 PHE 16 -3.196 -3.671 -12.453 127 HZ PHE 16 HZ PHE 16 -2.242 -5.507 -13.828 128 H GLY 17 H GLY 17 -1.545 -4.086 -6.105 129 HA2 GLY 17 2HA GLY 17 -3.117 -5.422 -4.001 130 HA3 GLY 17 3HA GLY 17 -1.528 -4.749 -3.617 131 H PHE 18 H PHE 18 -4.249 -3.951 -2.587 132 HA PHE 18 HA PHE 18 -4.102 -1.125 -3.400 133 HB2 PHE 18 2HB PHE 18 -6.596 -2.867 -3.108 134 HB3 PHE 18 3HB PHE 18 -6.633 -1.100 -3.157 135 HD1 PHE 18 HD1 PHE 18 -5.831 -4.159 -5.112 136 HD2 PHE 18 HD2 PHE 18 -6.374 0.101 -5.220 137 HE1 PHE 18 HE1 PHE 18 -5.876 -4.227 -7.584 138 HE2 PHE 18 HE2 PHE 18 -6.424 0.032 -7.692 139 HZ PHE 18 HZ PHE 18 -6.170 -2.133 -8.881 140 H ILE 19 H ILE 19 -4.444 0.376 -1.704 141 HA ILE 19 HA ILE 19 -4.686 -0.881 0.941 142 HB ILE 19 HB ILE 19 -2.776 1.347 0.062 143 HG12 ILE 19 2HG1 ILE 19 -2.179 -1.426 1.195 144 HG13 ILE 19 3HG1 ILE 19 -2.183 -1.051 -0.534 145 HG21 ILE 19 1HG2 ILE 19 -1.964 1.298 2.398 146 HG22 ILE 19 2HG2 ILE 19 -3.689 1.788 2.300 147 HG23 ILE 19 3HG2 ILE 19 -3.257 0.124 2.819 148 HD11 ILE 19 3HD1 ILE 19 -0.383 0.240 1.566 149 HD12 ILE 19 1HD1 ILE 19 0.096 -1.015 0.374 150 HD13 ILE 19 2HD1 ILE 19 -0.387 0.620 -0.189 151 H LYS 20 H LYS 20 -6.059 0.179 2.405 152 HA LYS 20 HA LYS 20 -7.193 2.735 1.509 153 HB2 LYS 20 2HB LYS 20 -8.717 0.844 2.138 154 HB3 LYS 20 3HB LYS 20 -8.015 0.838 3.761 155 HG2 LYS 20 2HG LYS 20 -8.814 3.181 4.111 156 HG3 LYS 20 3HG LYS 20 -9.525 3.177 2.492 157 HD2 LYS 20 2HD LYS 20 -10.968 1.228 3.139 158 HD3 LYS 20 3HD LYS 20 -10.268 1.255 4.762 159 HE2 LYS 20 2HE LYS 20 -11.101 3.591 5.085 160 HE3 LYS 20 3HE LYS 20 -11.797 3.569 3.459 161 HZ1 LYS 20 3HZ LYS 20 -12.561 1.760 5.661 162 HZ2 LYS 20 1HZ LYS 20 -13.429 3.036 5.127 163 HZ3 LYS 20 2HZ LYS 20 -13.204 1.739 4.161 164 H ASP 21 H ASP 21 -6.556 4.649 2.441 165 HA ASP 21 HA ASP 21 -4.446 4.400 4.428 166 HB2 ASP 21 2HB ASP 21 -4.423 5.807 2.226 167 HB3 ASP 21 3HB ASP 21 -5.458 6.943 3.101 168 H GLU 22 H GLU 22 -4.373 6.033 6.281 169 HA GLU 22 HA GLU 22 -6.699 6.104 7.815 170 HB2 GLU 22 2HB GLU 22 -4.187 7.837 7.776 171 HB3 GLU 22 3HB GLU 22 -5.453 8.007 9.000 172 HG2 GLU 22 2HG GLU 22 -5.106 5.619 9.673 173 HG3 GLU 22 3HG GLU 22 -3.819 5.475 8.468 174 H ASN 23 H ASN 23 -5.715 8.090 5.048 175 HA ASN 23 HA ASN 23 -7.551 10.210 5.717 176 HB2 ASN 23 2HB ASN 23 -5.882 9.554 3.266 177 HB3 ASN 23 3HB ASN 23 -7.009 10.916 3.328 178 HD21 ASN 23 1HD2 ASN 23 -4.227 11.071 2.909 179 HD22 ASN 23 2HD2 ASN 23 -3.581 12.048 4.184 180 H GLY 24 H GLY 24 -7.794 7.015 4.324 181 HA2 GLY 24 2HA GLY 24 -9.879 6.044 4.055 182 HA3 GLY 24 3HA GLY 24 -10.600 7.634 3.773 183 H ASP 25 H ASP 25 -7.687 7.449 1.970 184 HA ASP 25 HA ASP 25 -9.237 7.128 -0.461 185 HB2 ASP 25 2HB ASP 25 -6.346 7.885 0.157 186 HB3 ASP 25 3HB ASP 25 -6.949 7.667 -1.491 187 H ASN 26 H ASN 26 -9.047 5.428 -1.955 188 HA ASN 26 HA ASN 26 -7.482 3.136 -1.033 189 HB2 ASN 26 2HB ASN 26 -9.860 2.802 -1.602 190 HB3 ASN 26 3HB ASN 26 -9.558 3.394 -3.241 191 HD21 ASN 26 1HD2 ASN 26 -10.649 0.916 -2.678 192 HD22 ASN 26 2HD2 ASN 26 -9.565 -0.292 -3.282 193 H ARG 27 H ARG 27 -5.415 2.916 -1.817 194 HA ARG 27 HA ARG 27 -4.883 4.165 -4.431 195 HB2 ARG 27 2HB ARG 27 -3.112 4.153 -1.975 196 HB3 ARG 27 3HB ARG 27 -2.626 4.701 -3.585 197 HG2 ARG 27 2HG ARG 27 -4.635 6.336 -3.435 198 HG3 ARG 27 3HG ARG 27 -4.675 5.934 -1.713 199 HD2 ARG 27 2HD ARG 27 -2.235 6.588 -1.620 200 HD3 ARG 27 3HD ARG 27 -2.419 7.204 -3.268 201 HE ARG 27 HE ARG 27 -3.805 8.942 -2.457 202 HH11 ARG 27 1HH1 ARG 27 -2.738 6.843 0.153 203 HH12 ARG 27 2HH1 ARG 27 -3.092 8.007 1.387 204 HH21 ARG 27 1HH2 ARG 27 -4.263 10.417 -0.865 205 HH22 ARG 27 2HH2 ARG 27 -3.968 10.058 0.803 206 H TYR 28 H TYR 28 -3.301 3.121 -5.797 207 HA TYR 28 HA TYR 28 -3.159 0.254 -5.185 208 HB2 TYR 28 2HB TYR 28 -4.276 0.779 -7.265 209 HB3 TYR 28 3HB TYR 28 -2.998 1.900 -7.750 210 HD1 TYR 28 HD1 TYR 28 -3.510 -1.730 -6.885 211 HD2 TYR 28 HD2 TYR 28 -1.301 1.150 -9.175 212 HE1 TYR 28 HE1 TYR 28 -2.349 -3.569 -8.070 213 HE2 TYR 28 HE2 TYR 28 -0.142 -0.682 -10.368 214 HH TYR 28 HH TYR 28 -1.213 -3.868 -10.345 215 H PHE 29 H PHE 29 -1.196 -0.889 -5.151 216 HA PHE 29 HA PHE 29 1.233 0.705 -5.616 217 HB2 PHE 29 2HB PHE 29 2.208 0.000 -3.574 218 HB3 PHE 29 3HB PHE 29 0.589 0.567 -3.143 219 HD1 PHE 29 HD1 PHE 29 -1.174 -1.024 -2.490 220 HD2 PHE 29 HD2 PHE 29 2.807 -2.354 -3.412 221 HE1 PHE 29 HE1 PHE 29 -1.648 -3.200 -1.405 222 HE2 PHE 29 HE2 PHE 29 2.329 -4.528 -2.330 223 HZ PHE 29 HZ PHE 29 0.103 -4.955 -1.327 224 H HIS 30 H HIS 30 3.175 -0.647 -6.055 225 HA HIS 30 HA HIS 30 2.428 -3.305 -7.068 226 HB2 HIS 30 2HB HIS 30 4.783 -1.443 -7.629 227 HB3 HIS 30 3HB HIS 30 4.716 -3.117 -8.194 228 HD2 HIS 30 HD2 HIS 30 3.229 0.379 -9.091 229 HE1 HIS 30 HE1 HIS 30 1.655 -2.484 -11.857 230 H VAL 31 H VAL 31 3.568 -5.190 -6.394 231 HA VAL 31 HA VAL 31 4.524 -5.226 -3.794 232 HB VAL 31 HB VAL 31 5.401 -7.493 -4.381 233 HG11 VAL 31 1HG1 VAL 31 3.235 -8.477 -5.068 234 HG12 VAL 31 2HG1 VAL 31 3.024 -7.198 -3.825 235 HG13 VAL 31 3HG1 VAL 31 2.652 -6.848 -5.547 236 HG21 VAL 31 3HG2 VAL 31 6.256 -6.985 -6.628 237 HG22 VAL 31 1HG2 VAL 31 5.096 -8.355 -6.681 238 HG23 VAL 31 2HG2 VAL 31 4.581 -6.721 -7.220 239 H ILE 32 H ILE 32 6.150 -4.346 -6.825 240 HA ILE 32 HA ILE 32 8.780 -4.779 -5.773 241 HB ILE 32 HB ILE 32 9.527 -3.628 -7.826 242 HG12 ILE 32 2HG1 ILE 32 6.566 -3.184 -8.428 243 HG13 ILE 32 3HG1 ILE 32 7.641 -1.930 -7.794 244 HG21 ILE 32 1HG2 ILE 32 8.533 -5.166 -9.489 245 HG22 ILE 32 2HG2 ILE 32 8.939 -6.010 -7.957 246 HG23 ILE 32 3HG2 ILE 32 7.233 -5.582 -8.322 247 HD11 ILE 32 3HD1 ILE 32 7.992 -3.407 -10.441 248 HD12 ILE 32 1HD1 ILE 32 7.387 -1.730 -10.226 249 HD13 ILE 32 2HD1 ILE 32 9.083 -2.135 -9.797 250 H LYS 33 H LYS 33 6.324 -2.299 -5.448 251 HA LYS 33 HA LYS 33 8.319 -0.262 -4.795 252 HB2 LYS 33 2HB LYS 33 5.271 -0.237 -4.991 253 HB3 LYS 33 3HB LYS 33 6.240 1.153 -4.486 254 HG2 LYS 33 2HG LYS 33 7.375 1.200 -6.684 255 HG3 LYS 33 3HG LYS 33 6.495 -0.247 -7.194 256 HD2 LYS 33 2HD LYS 33 4.339 0.945 -7.006 257 HD3 LYS 33 3HD LYS 33 5.150 2.376 -6.357 258 HE2 LYS 33 2HE LYS 33 6.462 2.579 -8.494 259 HE3 LYS 33 3HE LYS 33 5.598 1.178 -9.142 260 HZ1 LYS 33 3HZ LYS 33 4.344 3.714 -8.306 261 HZ2 LYS 33 1HZ LYS 33 4.601 3.236 -9.846 262 HZ3 LYS 33 2HZ LYS 33 3.545 2.422 -8.904 263 H VAL 34 H VAL 34 7.387 -2.914 -3.184 264 HA VAL 34 HA VAL 34 6.847 -1.507 -0.681 265 HB VAL 34 HB VAL 34 6.870 -4.497 -1.343 266 HG11 VAL 34 1HG1 VAL 34 5.780 -4.759 0.864 267 HG12 VAL 34 2HG1 VAL 34 7.424 -4.050 1.010 268 HG13 VAL 34 3HG1 VAL 34 5.976 -2.999 1.164 269 HG21 VAL 34 3HG2 VAL 34 5.041 -3.303 -2.470 270 HG22 VAL 34 1HG2 VAL 34 4.409 -4.329 -1.138 271 HG23 VAL 34 2HG2 VAL 34 4.554 -2.553 -0.912 272 H ALA 35 H ALA 35 8.365 -1.420 1.004 273 HA ALA 35 HA ALA 35 11.078 -1.948 0.290 274 HB1 ALA 35 3HB ALA 35 9.763 -1.157 2.935 275 HB2 ALA 35 1HB ALA 35 11.525 -1.123 2.588 276 HB3 ALA 35 2HB ALA 35 10.412 -0.035 1.692 277 H ASN 36 H ASN 36 8.703 -3.493 2.590 278 HA ASN 36 HA ASN 36 10.456 -5.851 2.473 279 HB2 ASN 36 2HB ASN 36 9.048 -4.707 4.913 280 HB3 ASN 36 3HB ASN 36 9.726 -6.338 4.833 281 HD21 ASN 36 1HD2 ASN 36 10.314 -3.074 5.455 282 HD22 ASN 36 2HD2 ASN 36 12.020 -3.191 5.730 283 HA PRO 37 HA PRO 37 6.163 -6.838 1.062 284 HB2 PRO 37 2HB PRO 37 7.030 -8.622 -0.905 285 HB3 PRO 37 3HB PRO 37 6.913 -6.885 -1.213 286 HG2 PRO 37 2HG PRO 37 9.351 -8.526 -0.446 287 HG3 PRO 37 3HG PRO 37 9.200 -7.277 -1.690 288 HD2 PRO 37 2HD PRO 37 10.307 -6.684 0.713 289 HD3 PRO 37 3HD PRO 37 9.284 -5.499 -0.109 290 H ASP 38 H ASP 38 8.834 -8.731 2.340 291 HA ASP 38 HA ASP 38 7.347 -11.146 2.568 292 HB2 ASP 38 2HB ASP 38 9.807 -10.000 3.958 293 HB3 ASP 38 3HB ASP 38 9.134 -11.580 4.379 294 H LEU 39 H LEU 39 7.503 -8.107 4.449 295 HA LEU 39 HA LEU 39 6.267 -9.416 6.752 296 HB2 LEU 39 2HB LEU 39 7.218 -6.548 6.272 297 HB3 LEU 39 3HB LEU 39 6.589 -7.175 7.801 298 HG LEU 39 HG LEU 39 9.131 -8.164 6.406 299 HD11 LEU 39 1HD1 LEU 39 10.297 -7.030 8.263 300 HD12 LEU 39 2HD1 LEU 39 9.348 -5.869 7.274 301 HD13 LEU 39 3HD1 LEU 39 8.726 -6.406 8.871 302 HD21 LEU 39 3HD2 LEU 39 7.988 -9.910 7.723 303 HD22 LEU 39 1HD2 LEU 39 9.502 -9.378 8.529 304 HD23 LEU 39 2HD2 LEU 39 7.913 -8.804 9.136 305 H ILE 40 H ILE 40 5.265 -7.932 3.817 306 HA ILE 40 HA ILE 40 3.103 -6.411 4.647 307 HB ILE 40 HB ILE 40 3.628 -8.097 2.159 308 HG12 ILE 40 2HG1 ILE 40 5.008 -6.051 2.584 309 HG13 ILE 40 3HG1 ILE 40 4.058 -5.984 1.094 310 HG21 ILE 40 1HG2 ILE 40 1.686 -6.973 1.116 311 HG22 ILE 40 2HG2 ILE 40 1.195 -8.010 2.498 312 HG23 ILE 40 3HG2 ILE 40 1.274 -6.227 2.697 313 HD11 ILE 40 3HD1 ILE 40 3.328 -4.639 3.735 314 HD12 ILE 40 1HD1 ILE 40 4.001 -3.835 2.277 315 HD13 ILE 40 2HD1 ILE 40 2.364 -4.571 2.221 316 H LYS 41 H LYS 41 1.162 -6.928 5.630 317 HA LYS 41 HA LYS 41 0.022 -9.552 4.980 318 HB2 LYS 41 2HB LYS 41 0.266 -8.314 7.762 319 HB3 LYS 41 3HB LYS 41 -0.807 -9.664 7.370 320 HG2 LYS 41 2HG LYS 41 1.170 -11.032 6.688 321 HG3 LYS 41 3HG LYS 41 2.240 -9.683 7.091 322 HD2 LYS 41 2HD LYS 41 1.420 -9.741 9.457 323 HD3 LYS 41 3HD LYS 41 0.352 -11.092 9.053 324 HE2 LYS 41 2HE LYS 41 2.372 -12.434 8.348 325 HE3 LYS 41 3HE LYS 41 3.410 -11.093 8.849 326 HZ1 LYS 41 3HZ LYS 41 1.581 -12.582 10.622 327 HZ2 LYS 41 1HZ LYS 41 3.205 -12.743 10.571 328 HZ3 LYS 41 2HZ LYS 41 2.539 -11.343 11.085 329 H LYS 42 H LYS 42 -2.377 -9.602 5.264 330 HA LYS 42 HA LYS 42 -3.601 -7.620 3.904 331 HB2 LYS 42 2HB LYS 42 -4.549 -9.860 4.504 332 HB3 LYS 42 3HB LYS 42 -4.814 -9.293 6.158 333 HG2 LYS 42 2HG LYS 42 -6.419 -7.602 5.373 334 HG3 LYS 42 3HG LYS 42 -6.085 -8.017 3.687 335 HD2 LYS 42 2HD LYS 42 -6.950 -10.313 4.046 336 HD3 LYS 42 3HD LYS 42 -7.206 -9.973 5.762 337 HE2 LYS 42 2HE LYS 42 -8.856 -8.212 5.205 338 HE3 LYS 42 3HE LYS 42 -8.552 -8.438 3.477 339 HZ1 LYS 42 3HZ LYS 42 -9.659 -10.486 5.292 340 HZ2 LYS 42 1HZ LYS 42 -10.505 -9.623 4.194 341 HZ3 LYS 42 2HZ LYS 42 -9.378 -10.695 3.697 342 H ASP 43 H ASP 43 -4.160 -7.938 7.512 343 HA ASP 43 HA ASP 43 -4.868 -5.101 7.473 344 HB2 ASP 43 2HB ASP 43 -5.242 -7.296 9.570 345 HB3 ASP 43 3HB ASP 43 -5.797 -5.625 9.740 346 H ALA 44 H ALA 44 -2.190 -7.196 8.361 347 HA ALA 44 HA ALA 44 -1.696 -5.821 10.863 348 HB1 ALA 44 3HB ALA 44 -0.234 -8.078 9.405 349 HB2 ALA 44 1HB ALA 44 0.120 -7.503 11.070 350 HB3 ALA 44 2HB ALA 44 -1.462 -8.269 10.701 351 H ALA 45 H ALA 45 -0.539 -5.697 7.496 352 HA ALA 45 HA ALA 45 1.813 -4.202 8.098 353 HB1 ALA 45 3HB ALA 45 0.059 -4.359 5.597 354 HB2 ALA 45 1HB ALA 45 1.694 -3.621 5.686 355 HB3 ALA 45 2HB ALA 45 1.488 -5.384 5.961 356 H VAL 46 H VAL 46 2.000 -1.839 7.133 357 HA VAL 46 HA VAL 46 -0.342 -0.355 8.103 358 HB VAL 46 HB VAL 46 1.211 1.305 9.093 359 HG11 VAL 46 1HG1 VAL 46 1.991 -0.058 11.006 360 HG12 VAL 46 2HG1 VAL 46 0.322 -0.498 10.508 361 HG13 VAL 46 3HG1 VAL 46 1.702 -1.553 10.053 362 HG21 VAL 46 3HG2 VAL 46 3.141 0.933 7.617 363 HG22 VAL 46 1HG2 VAL 46 3.614 0.765 9.341 364 HG23 VAL 46 2HG2 VAL 46 3.386 -0.699 8.326 365 H THR 47 H THR 47 -0.085 2.122 7.409 366 HA THR 47 HA THR 47 -0.043 1.987 4.573 367 HB THR 47 HB THR 47 -1.646 3.372 5.946 368 HG1 THR 47 HG1 THR 47 -0.515 3.900 3.621 369 HG21 THR 47 3HG2 THR 47 0.822 5.132 6.354 370 HG22 THR 47 1HG2 THR 47 -0.864 5.566 6.794 371 HG23 THR 47 2HG2 THR 47 -0.041 4.204 7.627 372 H PHE 48 H PHE 48 1.048 4.877 4.192 373 HA PHE 48 HA PHE 48 3.747 3.865 3.774 374 HB2 PHE 48 2HB PHE 48 3.380 3.717 1.313 375 HB3 PHE 48 3HB PHE 48 2.493 2.486 2.221 376 HD1 PHE 48 HD1 PHE 48 2.201 5.569 0.210 377 HD2 PHE 48 HD2 PHE 48 0.059 2.522 2.351 378 HE1 PHE 48 HE1 PHE 48 0.094 6.285 -0.876 379 HE2 PHE 48 HE2 PHE 48 -2.046 3.236 1.260 380 HZ PHE 48 HZ PHE 48 -2.031 5.118 -0.357 381 H GLU 49 H GLU 49 4.796 5.335 1.897 382 HA GLU 49 HA GLU 49 4.423 8.045 2.733 383 HB2 GLU 49 2HB GLU 49 6.623 7.049 2.097 384 HB3 GLU 49 3HB GLU 49 6.039 6.821 0.443 385 HG2 GLU 49 2HG GLU 49 5.784 9.278 0.176 386 HG3 GLU 49 3HG GLU 49 6.320 9.526 1.843 387 HA PRO 50 HA PRO 50 0.991 8.821 0.000 388 HB2 PRO 50 2HB PRO 50 1.835 11.681 0.667 389 HB3 PRO 50 3HB PRO 50 0.223 10.960 0.770 390 HG2 PRO 50 2HG PRO 50 1.605 11.376 3.009 391 HG3 PRO 50 3HG PRO 50 0.690 9.873 2.825 392 HD2 PRO 50 2HD PRO 50 3.682 10.329 2.557 393 HD3 PRO 50 3HD PRO 50 2.826 8.957 3.274 394 H THR 51 H THR 51 0.773 9.028 -2.142 395 HA THR 51 HA THR 51 2.614 10.878 -3.447 396 HB THR 51 HB THR 51 3.049 9.308 -5.277 397 HG1 THR 51 HG1 THR 51 1.150 7.748 -3.812 398 HG21 THR 51 3HG2 THR 51 3.597 8.035 -2.551 399 HG22 THR 51 1HG2 THR 51 4.448 7.647 -4.084 400 HG23 THR 51 2HG2 THR 51 4.603 9.283 -3.360 401 H THR 52 H THR 52 1.795 11.593 -5.624 402 HA THR 52 HA THR 52 -0.937 10.797 -6.209 403 HB THR 52 HB THR 52 -1.178 12.788 -4.743 404 HG1 THR 52 HG1 THR 52 -2.383 14.075 -6.317 405 HG21 THR 52 3HG2 THR 52 0.516 14.186 -6.869 406 HG22 THR 52 1HG2 THR 52 -0.323 14.986 -5.497 407 HG23 THR 52 2HG2 THR 52 1.015 13.830 -5.181 408 H ASN 53 H ASN 53 -1.402 10.873 -8.453 409 HA ASN 53 HA ASN 53 0.708 12.064 -10.126 410 HB2 ASN 53 2HB ASN 53 -0.786 9.460 -10.624 411 HB3 ASN 53 3HB ASN 53 0.355 10.230 -11.734 412 HD21 ASN 53 1HD2 ASN 53 -0.011 7.926 -9.408 413 HD22 ASN 53 2HD2 ASN 53 1.657 7.664 -9.022 414 H ASN 54 H ASN 54 -0.130 12.459 -12.465 415 HA ASN 54 HA ASN 54 -2.648 13.786 -12.351 416 HB2 ASN 54 2HB ASN 54 -0.702 13.143 -14.590 417 HB3 ASN 54 3HB ASN 54 -2.234 13.982 -14.865 418 HD21 ASN 54 1HD2 ASN 54 0.242 15.066 -15.457 419 HD22 ASN 54 2HD2 ASN 54 0.452 16.481 -14.479 420 H LYS 55 H LYS 55 -1.656 10.476 -12.959 421 HA LYS 55 HA LYS 55 -4.075 9.907 -14.489 422 HB2 LYS 55 2HB LYS 55 -1.743 8.179 -13.530 423 HB3 LYS 55 3HB LYS 55 -3.120 7.570 -14.459 424 HG2 LYS 55 2HG LYS 55 -2.527 9.085 -16.345 425 HG3 LYS 55 3HG LYS 55 -1.160 9.716 -15.416 426 HD2 LYS 55 2HD LYS 55 -0.166 7.424 -15.311 427 HD3 LYS 55 3HD LYS 55 -1.539 6.782 -16.222 428 HE2 LYS 55 2HE LYS 55 -0.969 8.312 -18.133 429 HE3 LYS 55 3HE LYS 55 0.421 8.917 -17.222 430 HZ1 LYS 55 3HZ LYS 55 0.024 6.116 -18.059 431 HZ2 LYS 55 1HZ LYS 55 1.049 7.183 -18.748 432 HZ3 LYS 55 2HZ LYS 55 1.307 6.674 -17.218 433 H GLY 56 H GLY 56 -3.076 10.131 -11.159 434 HA2 GLY 56 2HA GLY 56 -5.361 9.918 -9.945 435 HA3 GLY 56 3HA GLY 56 -5.143 8.208 -10.340 436 H LEU 57 H LEU 57 -5.327 8.496 -7.722 437 HA LEU 57 HA LEU 57 -2.805 9.156 -6.493 438 HB2 LEU 57 2HB LEU 57 -5.354 7.823 -5.458 439 HB3 LEU 57 3HB LEU 57 -3.971 8.264 -4.448 440 HG LEU 57 HG LEU 57 -5.661 10.249 -6.061 441 HD11 LEU 57 1HD1 LEU 57 -6.536 10.934 -3.859 442 HD12 LEU 57 2HD1 LEU 57 -6.928 9.219 -4.219 443 HD13 LEU 57 3HD1 LEU 57 -5.602 9.616 -3.075 444 HD21 LEU 57 3HD2 LEU 57 -3.315 10.954 -5.743 445 HD22 LEU 57 1HD2 LEU 57 -4.430 11.941 -4.740 446 HD23 LEU 57 2HD2 LEU 57 -3.454 10.639 -3.980 447 H SER 58 H SER 58 -1.232 7.738 -5.660 448 HA SER 58 HA SER 58 -1.659 4.877 -6.176 449 HB2 SER 58 2HB SER 58 0.557 4.726 -7.213 450 HB3 SER 58 3HB SER 58 -0.511 5.778 -8.151 451 HG SER 58 HG SER 58 1.144 6.936 -6.142 452 H ALA 59 H ALA 59 0.347 3.607 -5.202 453 HA ALA 59 HA ALA 59 1.145 4.976 -2.708 454 HB1 ALA 59 3HB ALA 59 0.394 2.044 -3.153 455 HB2 ALA 59 1HB ALA 59 1.025 2.744 -1.624 456 HB3 ALA 59 2HB ALA 59 -0.572 3.266 -2.260 457 H TYR 60 H TYR 60 3.301 4.670 -2.002 458 HA TYR 60 HA TYR 60 5.034 2.982 -3.602 459 HB2 TYR 60 2HB TYR 60 4.911 5.013 -4.975 460 HB3 TYR 60 3HB TYR 60 5.235 6.032 -3.567 461 HD1 TYR 60 HD1 TYR 60 6.763 3.239 -5.573 462 HD2 TYR 60 HD2 TYR 60 7.440 6.655 -3.066 463 HE1 TYR 60 HE1 TYR 60 9.194 3.074 -6.014 464 HE2 TYR 60 HE2 TYR 60 9.872 6.499 -3.505 465 HH TYR 60 HH TYR 60 11.495 5.422 -4.541 466 H ALA 61 H ALA 61 7.195 2.756 -2.633 467 HA ALA 61 HA ALA 61 8.505 2.402 -0.878 468 HB1 ALA 61 3HB ALA 61 7.492 5.173 -0.073 469 HB2 ALA 61 1HB ALA 61 8.931 4.345 0.610 470 HB3 ALA 61 2HB ALA 61 8.906 4.820 -1.122 471 H VAL 62 H VAL 62 6.346 0.862 -0.520 472 HA VAL 62 HA VAL 62 4.827 1.573 1.779 473 HB VAL 62 HB VAL 62 5.169 -1.077 0.285 474 HG11 VAL 62 1HG1 VAL 62 3.077 -1.756 1.421 475 HG12 VAL 62 2HG1 VAL 62 4.404 -1.447 2.592 476 HG13 VAL 62 3HG1 VAL 62 3.102 -0.230 2.368 477 HG21 VAL 62 3HG2 VAL 62 4.219 0.719 -1.100 478 HG22 VAL 62 1HG2 VAL 62 2.971 -0.510 -0.703 479 HG23 VAL 62 2HG2 VAL 62 2.991 1.062 0.166 480 H LYS 63 H LYS 63 5.301 1.204 3.935 481 HA LYS 63 HA LYS 63 7.620 -0.541 4.468 482 HB2 LYS 63 2HB LYS 63 6.895 2.176 5.660 483 HB3 LYS 63 3HB LYS 63 8.119 1.096 6.340 484 HG2 LYS 63 2HG LYS 63 9.385 1.212 4.165 485 HG3 LYS 63 3HG LYS 63 8.184 2.357 3.553 486 HD2 LYS 63 2HD LYS 63 8.704 3.898 5.476 487 HD3 LYS 63 3HD LYS 63 9.943 2.763 6.030 488 HE2 LYS 63 2HE LYS 63 11.127 3.001 3.829 489 HE3 LYS 63 3HE LYS 63 9.899 4.160 3.303 490 HZ1 LYS 63 3HZ LYS 63 11.686 4.512 5.623 491 HZ2 LYS 63 1HZ LYS 63 11.835 5.260 4.179 492 HZ3 LYS 63 2HZ LYS 63 10.553 5.582 5.137 493 H VAL 64 H VAL 64 7.312 -2.091 6.039 494 HA VAL 64 HA VAL 64 4.737 -1.994 7.419 495 HB VAL 64 HB VAL 64 6.775 -4.253 7.076 496 HG11 VAL 64 1HG1 VAL 64 4.994 -5.707 7.992 497 HG12 VAL 64 2HG1 VAL 64 5.520 -4.464 9.177 498 HG13 VAL 64 3HG1 VAL 64 3.973 -4.260 8.288 499 HG21 VAL 64 3HG2 VAL 64 5.655 -3.648 4.975 500 HG22 VAL 64 1HG2 VAL 64 5.073 -5.238 5.575 501 HG23 VAL 64 2HG2 VAL 64 4.053 -3.773 5.778 502 H VAL 65 H VAL 65 4.614 -1.540 9.601 503 HA VAL 65 HA VAL 65 7.168 -1.334 11.011 504 HB VAL 65 HB VAL 65 4.391 -0.190 11.592 505 HG11 VAL 65 1HG1 VAL 65 5.468 1.004 13.473 506 HG12 VAL 65 2HG1 VAL 65 5.522 -0.778 13.692 507 HG13 VAL 65 3HG1 VAL 65 6.993 0.107 13.163 508 HG21 VAL 65 3HG2 VAL 65 5.592 0.927 9.763 509 HG22 VAL 65 1HG2 VAL 65 5.509 1.985 11.212 510 HG23 VAL 65 2HG2 VAL 65 7.035 1.126 10.814 511 HA PRO 66 HA PRO 66 6.086 -4.996 13.352 512 HB2 PRO 66 2HB PRO 66 7.982 -4.612 15.364 513 HB3 PRO 66 3HB PRO 66 8.434 -5.232 13.771 514 HG2 PRO 66 2HG PRO 66 8.594 -2.388 14.827 515 HG3 PRO 66 3HG PRO 66 9.804 -3.303 13.918 516 HD2 PRO 66 2HD PRO 66 8.226 -1.494 12.656 517 HD3 PRO 66 3HD PRO 66 8.673 -3.000 11.844 518 H LEU 67 H LEU 67 4.356 -5.272 14.567 519 HA LEU 67 HA LEU 67 3.642 -3.037 16.338 520 HB2 LEU 67 2HB LEU 67 2.006 -5.386 15.263 521 HB3 LEU 67 3HB LEU 67 1.384 -4.071 16.268 522 HG LEU 67 HG LEU 67 2.540 -3.747 13.449 523 HD11 LEU 67 1HD1 LEU 67 0.205 -3.273 12.813 524 HD12 LEU 67 2HD1 LEU 67 0.385 -4.933 13.474 525 HD13 LEU 67 3HD1 LEU 67 -0.327 -3.635 14.490 526 HD21 LEU 67 3HD2 LEU 67 2.921 -1.780 14.890 527 HD22 LEU 67 1HD2 LEU 67 1.675 -1.437 13.643 528 HD23 LEU 67 2HD2 LEU 67 1.182 -1.764 15.338 529 H GLU 68 H GLU 68 5.205 -6.066 16.500 530 HA GLU 68 HA GLU 68 4.340 -6.343 19.308 531 HB2 GLU 68 2HB GLU 68 4.969 -8.535 17.273 532 HB3 GLU 68 3HB GLU 68 4.755 -8.807 19.007 533 HG2 GLU 68 2HG GLU 68 2.413 -7.948 18.847 534 HG3 GLU 68 3HG GLU 68 2.629 -7.691 17.111 535 H HIS 69 H HIS 69 5.996 -6.766 20.831 536 HA HIS 69 HA HIS 69 8.715 -6.972 19.751 537 HB2 HIS 69 2HB HIS 69 7.770 -4.919 21.813 538 HB3 HIS 69 3HB HIS 69 9.458 -5.239 21.395 539 HD2 HIS 69 HD2 HIS 69 6.470 -3.137 20.135 540 HE1 HIS 69 HE1 HIS 69 9.561 -2.852 17.186 541 H HIS 70 H HIS 70 10.244 -7.949 21.242 542 HA HIS 70 HA HIS 70 8.879 -9.453 23.364 543 HB2 HIS 70 2HB HIS 70 10.094 -10.705 21.558 544 HB3 HIS 70 3HB HIS 70 11.592 -9.887 22.018 545 HD2 HIS 70 HD2 HIS 70 9.278 -12.791 23.280 546 HE1 HIS 70 HE1 HIS 70 12.707 -12.586 25.835 547 H HIS 71 H HIS 71 9.690 -9.488 25.522 548 HA HIS 71 HA HIS 71 12.079 -7.975 26.121 549 HB2 HIS 71 2HB HIS 71 10.989 -6.444 27.679 550 HB3 HIS 71 3HB HIS 71 10.347 -6.203 26.049 551 HD2 HIS 71 HD2 HIS 71 7.605 -6.740 25.747 552 HE1 HIS 71 HE1 HIS 71 6.907 -7.818 29.830 553 H HIS 72 H HIS 72 12.410 -8.017 28.666 554 HA HIS 72 HA HIS 72 11.006 -10.114 30.033 555 HB2 HIS 72 2HB HIS 72 12.641 -11.372 28.562 556 HB3 HIS 72 3HB HIS 72 13.964 -10.515 29.364 557 HD2 HIS 72 HD2 HIS 72 11.646 -13.570 29.948 558 HE1 HIS 72 HE1 HIS 72 13.975 -13.016 33.498 559 H HIS 73 H HIS 73 11.250 -9.909 32.293 560 HA HIS 73 HA HIS 73 13.463 -8.570 33.451 561 HB2 HIS 73 2HB HIS 73 12.306 -6.565 34.265 562 HB3 HIS 73 3HB HIS 73 12.369 -6.573 32.498 563 HD2 HIS 73 HD2 HIS 73 9.873 -6.680 31.207 564 HE1 HIS 73 HE1 HIS 73 7.523 -6.666 34.784 565 H HIS 74 H HIS 74 13.114 -8.293 35.889 566 HA HIS 74 HA HIS 74 11.256 -10.392 36.782 567 HB2 HIS 74 2HB HIS 74 13.731 -9.170 38.101 568 HB3 HIS 74 3HB HIS 74 12.699 -10.406 38.832 569 HD2 HIS 74 HD2 HIS 74 15.620 -10.121 36.283 570 HE1 HIS 74 HE1 HIS 74 14.385 -14.218 36.402 Start of MODEL 13 1 H1 MET 1 1H MET 1 3.924 10.046 15.601 2 H2 MET 1 2H MET 1 3.030 8.768 15.118 3 H3 MET 1 3H MET 1 4.622 8.581 15.428 4 HA MET 1 HA MET 1 3.593 10.349 13.358 5 HB2 MET 1 2HB MET 1 6.337 9.120 13.902 6 HB3 MET 1 3HB MET 1 5.927 10.071 12.468 7 HG2 MET 1 2HG MET 1 5.925 11.055 15.360 8 HG3 MET 1 3HG MET 1 7.120 11.443 14.116 9 HE1 MET 1 3HE MET 1 5.309 12.088 11.442 10 HE2 MET 1 1HE MET 1 5.333 13.861 11.730 11 HE3 MET 1 2HE MET 1 6.780 12.869 12.116 12 H ALA 2 H ALA 2 4.362 6.967 14.269 13 HA ALA 2 HA ALA 2 4.324 5.989 11.592 14 HB1 ALA 2 3HB ALA 2 3.919 4.612 14.294 15 HB2 ALA 2 1HB ALA 2 4.193 3.782 12.726 16 HB3 ALA 2 2HB ALA 2 5.479 4.820 13.429 17 H MET 3 H MET 3 2.651 5.055 10.387 18 HA MET 3 HA MET 3 -0.018 5.149 11.644 19 HB2 MET 3 2HB MET 3 0.820 6.083 8.859 20 HB3 MET 3 3HB MET 3 -0.858 5.871 9.378 21 HG2 MET 3 2HG MET 3 -0.595 7.612 11.093 22 HG3 MET 3 3HG MET 3 1.126 7.769 10.719 23 HE1 MET 3 3HE MET 3 1.260 8.160 7.257 24 HE2 MET 3 1HE MET 3 1.490 9.863 7.778 25 HE3 MET 3 2HE MET 3 2.128 8.521 8.787 26 H ASN 4 H ASN 4 -1.623 3.680 10.588 27 HA ASN 4 HA ASN 4 -0.234 1.408 9.328 28 HB2 ASN 4 2HB ASN 4 -2.559 1.386 11.291 29 HB3 ASN 4 3HB ASN 4 -1.945 -0.029 10.426 30 HD21 ASN 4 1HD2 ASN 4 -1.810 1.697 13.236 31 HD22 ASN 4 2HD2 ASN 4 -0.364 1.012 13.899 32 H GLY 5 H GLY 5 -1.388 0.269 7.637 33 HA2 GLY 5 2HA GLY 5 -3.862 1.645 6.766 34 HA3 GLY 5 3HA GLY 5 -2.604 1.100 5.648 35 H THR 6 H THR 6 -5.087 0.129 5.095 36 HA THR 6 HA THR 6 -4.799 -2.660 5.965 37 HB THR 6 HB THR 6 -7.397 -1.116 5.460 38 HG1 THR 6 HG1 THR 6 -7.743 -1.658 7.735 39 HG21 THR 6 3HG2 THR 6 -6.925 -4.045 6.203 40 HG22 THR 6 1HG2 THR 6 -8.522 -3.229 6.104 41 HG23 THR 6 2HG2 THR 6 -7.525 -3.435 4.624 42 H ILE 7 H ILE 7 -4.626 -4.128 4.273 43 HA ILE 7 HA ILE 7 -5.013 -3.082 1.591 44 HB ILE 7 HB ILE 7 -3.835 -5.674 2.701 45 HG12 ILE 7 2HG1 ILE 7 -2.577 -3.403 1.090 46 HG13 ILE 7 3HG1 ILE 7 -2.511 -3.524 2.853 47 HG21 ILE 7 1HG2 ILE 7 -3.251 -6.243 0.368 48 HG22 ILE 7 2HG2 ILE 7 -5.029 -6.172 0.614 49 HG23 ILE 7 3HG2 ILE 7 -4.181 -4.819 -0.208 50 HD11 ILE 7 3HD1 ILE 7 -1.381 -5.563 0.883 51 HD12 ILE 7 1HD1 ILE 7 -0.443 -4.360 1.831 52 HD13 ILE 7 2HD1 ILE 7 -1.313 -5.685 2.674 53 H THR 8 H THR 8 -6.823 -3.527 0.354 54 HA THR 8 HA THR 8 -8.825 -5.207 1.616 55 HB THR 8 HB THR 8 -10.351 -4.238 -0.086 56 HG1 THR 8 HG1 THR 8 -9.468 -2.563 -1.502 57 HG21 THR 8 3HG2 THR 8 -8.581 -2.155 1.285 58 HG22 THR 8 1HG2 THR 8 -10.242 -1.878 0.661 59 HG23 THR 8 2HG2 THR 8 -9.973 -3.015 2.025 60 H THR 9 H THR 9 -6.631 -5.162 -1.220 61 HA THR 9 HA THR 9 -7.338 -7.933 -1.642 62 HB THR 9 HB THR 9 -8.853 -6.629 -3.183 63 HG1 THR 9 HG1 THR 9 -7.164 -7.751 -5.077 64 HG21 THR 9 3HG2 THR 9 -6.204 -5.755 -4.436 65 HG22 THR 9 1HG2 THR 9 -7.839 -5.475 -5.126 66 HG23 THR 9 2HG2 THR 9 -7.372 -4.695 -3.577 67 H TRP 10 H TRP 10 -5.586 -9.149 -2.548 68 HA TRP 10 HA TRP 10 -3.259 -7.659 -3.475 69 HB2 TRP 10 2HB TRP 10 -2.998 -7.870 -0.991 70 HB3 TRP 10 3HB TRP 10 -3.168 -9.624 -1.132 71 HD1 TRP 10 HD1 TRP 10 -0.761 -6.782 -2.320 72 HE1 TRP 10 HE1 TRP 10 1.604 -7.793 -2.588 73 HE3 TRP 10 HE3 TRP 10 -1.883 -11.704 -1.368 74 HZ2 TRP 10 HZ2 TRP 10 2.831 -10.319 -2.420 75 HZ3 TRP 10 HZ3 TRP 10 -0.042 -13.382 -1.436 76 HH2 TRP 10 HH2 TRP 10 2.255 -12.711 -1.948 77 H PHE 11 H PHE 11 -2.466 -8.671 -5.277 78 HA PHE 11 HA PHE 11 -3.132 -11.533 -5.571 79 HB2 PHE 11 2HB PHE 11 -2.753 -9.338 -7.666 80 HB3 PHE 11 3HB PHE 11 -2.965 -11.054 -8.036 81 HD1 PHE 11 HD1 PHE 11 -5.133 -12.168 -7.655 82 HD2 PHE 11 HD2 PHE 11 -4.614 -7.968 -6.916 83 HE1 PHE 11 HE1 PHE 11 -7.590 -11.870 -7.624 84 HE2 PHE 11 HE2 PHE 11 -7.072 -7.672 -6.880 85 HZ PHE 11 HZ PHE 11 -8.564 -9.620 -7.235 86 H LYS 12 H LYS 12 -1.338 -12.758 -5.126 87 HA LYS 12 HA LYS 12 1.294 -11.775 -5.284 88 HB2 LYS 12 2HB LYS 12 0.540 -13.689 -3.880 89 HB3 LYS 12 3HB LYS 12 0.217 -14.635 -5.339 90 HG2 LYS 12 2HG LYS 12 2.618 -14.578 -5.942 91 HG3 LYS 12 3HG LYS 12 2.967 -13.560 -4.539 92 HD2 LYS 12 2HD LYS 12 2.157 -15.362 -3.014 93 HD3 LYS 12 3HD LYS 12 1.768 -16.379 -4.408 94 HE2 LYS 12 2HE LYS 12 4.181 -16.319 -5.105 95 HE3 LYS 12 3HE LYS 12 4.557 -15.340 -3.681 96 HZ1 LYS 12 3HZ LYS 12 3.436 -18.068 -3.621 97 HZ2 LYS 12 1HZ LYS 12 4.983 -17.663 -3.294 98 HZ3 LYS 12 2HZ LYS 12 3.783 -17.164 -2.307 99 H ASP 13 H ASP 13 -0.740 -13.700 -7.618 100 HA ASP 13 HA ASP 13 1.526 -14.234 -9.284 101 HB2 ASP 13 2HB ASP 13 -1.486 -14.630 -9.552 102 HB3 ASP 13 3HB ASP 13 -0.356 -15.050 -10.846 103 H LYS 14 H LYS 14 -0.960 -11.673 -9.082 104 HA LYS 14 HA LYS 14 -0.442 -10.928 -11.867 105 HB2 LYS 14 2HB LYS 14 -2.523 -9.981 -9.840 106 HB3 LYS 14 3HB LYS 14 -2.405 -9.427 -11.515 107 HG2 LYS 14 2HG LYS 14 -2.803 -11.789 -12.293 108 HG3 LYS 14 3HG LYS 14 -2.996 -12.289 -10.608 109 HD2 LYS 14 2HD LYS 14 -4.894 -10.671 -10.349 110 HD3 LYS 14 3HD LYS 14 -4.704 -10.181 -12.037 111 HE2 LYS 14 2HE LYS 14 -5.163 -12.525 -12.774 112 HE3 LYS 14 3HE LYS 14 -5.340 -13.025 -11.087 113 HZ1 LYS 14 3HZ LYS 14 -7.034 -11.037 -12.458 114 HZ2 LYS 14 1HZ LYS 14 -7.459 -12.573 -12.101 115 HZ3 LYS 14 2HZ LYS 14 -7.197 -11.498 -10.900 116 H GLY 15 H GLY 15 0.248 -9.939 -8.514 117 HA2 GLY 15 2HA GLY 15 1.673 -8.348 -7.792 118 HA3 GLY 15 3HA GLY 15 2.035 -7.920 -9.469 119 H PHE 16 H PHE 16 -1.345 -7.956 -8.240 120 HA PHE 16 HA PHE 16 -1.252 -5.006 -8.212 121 HB2 PHE 16 2HB PHE 16 -3.482 -6.986 -8.865 122 HB3 PHE 16 3HB PHE 16 -3.784 -5.274 -8.540 123 HD1 PHE 16 HD1 PHE 16 -1.903 -7.596 -10.794 124 HD2 PHE 16 HD2 PHE 16 -3.510 -3.651 -10.233 125 HE1 PHE 16 HE1 PHE 16 -1.424 -7.062 -13.165 126 HE2 PHE 16 HE2 PHE 16 -3.032 -3.120 -12.603 127 HZ PHE 16 HZ PHE 16 -1.985 -4.824 -14.073 128 H GLY 17 H GLY 17 -1.848 -3.925 -6.330 129 HA2 GLY 17 2HA GLY 17 -3.421 -5.413 -4.361 130 HA3 GLY 17 3HA GLY 17 -1.820 -4.847 -3.866 131 H PHE 18 H PHE 18 -4.537 -4.019 -2.853 132 HA PHE 18 HA PHE 18 -4.311 -1.151 -3.518 133 HB2 PHE 18 2HB PHE 18 -6.686 -2.868 -2.664 134 HB3 PHE 18 3HB PHE 18 -6.707 -1.101 -2.588 135 HD1 PHE 18 HD1 PHE 18 -4.802 -1.063 -5.225 136 HD2 PHE 18 HD2 PHE 18 -8.634 -2.721 -4.212 137 HE1 PHE 18 HE1 PHE 18 -5.477 -0.966 -7.607 138 HE2 PHE 18 HE2 PHE 18 -9.301 -2.634 -6.594 139 HZ PHE 18 HZ PHE 18 -7.725 -1.751 -8.296 140 H ILE 19 H ILE 19 -4.314 0.370 -1.767 141 HA ILE 19 HA ILE 19 -4.383 -0.848 0.903 142 HB ILE 19 HB ILE 19 -2.514 1.348 -0.125 143 HG12 ILE 19 2HG1 ILE 19 -1.892 -1.333 1.196 144 HG13 ILE 19 3HG1 ILE 19 -1.931 -1.088 -0.555 145 HG21 ILE 19 1HG2 ILE 19 -1.663 1.467 2.193 146 HG22 ILE 19 2HG2 ILE 19 -3.390 1.949 2.090 147 HG23 ILE 19 3HG2 ILE 19 -2.946 0.327 2.720 148 HD11 ILE 19 3HD1 ILE 19 -0.092 0.356 1.406 149 HD12 ILE 19 1HD1 ILE 19 0.366 -0.983 0.301 150 HD13 ILE 19 2HD1 ILE 19 -0.132 0.606 -0.372 151 H LYS 20 H LYS 20 -5.909 0.087 2.253 152 HA LYS 20 HA LYS 20 -7.012 2.680 1.449 153 HB2 LYS 20 2HB LYS 20 -8.533 0.764 1.973 154 HB3 LYS 20 3HB LYS 20 -7.857 0.686 3.605 155 HG2 LYS 20 2HG LYS 20 -8.674 3.011 4.045 156 HG3 LYS 20 3HG LYS 20 -9.370 3.066 2.420 157 HD2 LYS 20 2HD LYS 20 -10.805 1.086 2.973 158 HD3 LYS 20 3HD LYS 20 -10.115 1.046 4.601 159 HE2 LYS 20 2HE LYS 20 -10.968 3.356 5.024 160 HE3 LYS 20 3HE LYS 20 -11.649 3.407 3.393 161 HZ1 LYS 20 3HZ LYS 20 -12.423 1.492 5.501 162 HZ2 LYS 20 1HZ LYS 20 -13.293 2.787 5.019 163 HZ3 LYS 20 2HZ LYS 20 -13.052 1.539 3.995 164 H ASP 21 H ASP 21 -6.344 4.555 2.418 165 HA ASP 21 HA ASP 21 -4.313 4.309 4.453 166 HB2 ASP 21 2HB ASP 21 -4.419 5.911 2.384 167 HB3 ASP 21 3HB ASP 21 -5.522 6.879 3.370 168 H GLU 22 H GLU 22 -4.372 5.833 6.423 169 HA GLU 22 HA GLU 22 -6.752 5.527 7.904 170 HB2 GLU 22 2HB GLU 22 -4.311 7.332 8.223 171 HB3 GLU 22 3HB GLU 22 -5.611 7.229 9.418 172 HG2 GLU 22 2HG GLU 22 -5.149 4.808 9.734 173 HG3 GLU 22 3HG GLU 22 -3.876 4.879 8.509 174 H ASN 23 H ASN 23 -5.853 7.803 5.392 175 HA ASN 23 HA ASN 23 -7.776 9.774 6.286 176 HB2 ASN 23 2HB ASN 23 -6.057 9.477 3.802 177 HB3 ASN 23 3HB ASN 23 -7.260 10.759 3.993 178 HD21 ASN 23 1HD2 ASN 23 -4.485 11.105 3.632 179 HD22 ASN 23 2HD2 ASN 23 -3.904 11.978 5.011 180 H GLY 24 H GLY 24 -7.856 6.726 4.602 181 HA2 GLY 24 2HA GLY 24 -9.916 5.703 4.270 182 HA3 GLY 24 3HA GLY 24 -10.684 7.284 4.067 183 H ASP 25 H ASP 25 -7.726 7.253 2.309 184 HA ASP 25 HA ASP 25 -9.228 7.037 -0.167 185 HB2 ASP 25 2HB ASP 25 -6.380 7.844 0.571 186 HB3 ASP 25 3HB ASP 25 -6.905 7.657 -1.107 187 H ASN 26 H ASN 26 -9.151 5.325 -1.603 188 HA ASN 26 HA ASN 26 -7.453 3.076 -0.834 189 HB2 ASN 26 2HB ASN 26 -9.849 2.674 -1.248 190 HB3 ASN 26 3HB ASN 26 -9.686 3.315 -2.889 191 HD21 ASN 26 1HD2 ASN 26 -10.654 0.782 -2.277 192 HD22 ASN 26 2HD2 ASN 26 -9.588 -0.375 -3.001 193 H ARG 27 H ARG 27 -5.441 2.916 -1.759 194 HA ARG 27 HA ARG 27 -5.118 4.200 -4.390 195 HB2 ARG 27 2HB ARG 27 -3.092 4.108 -2.140 196 HB3 ARG 27 3HB ARG 27 -2.860 4.816 -3.744 197 HG2 ARG 27 2HG ARG 27 -4.799 6.387 -3.224 198 HG3 ARG 27 3HG ARG 27 -4.770 5.764 -1.569 199 HD2 ARG 27 2HD ARG 27 -2.400 6.474 -1.383 200 HD3 ARG 27 3HD ARG 27 -2.509 7.170 -3.005 201 HE ARG 27 HE ARG 27 -3.976 8.855 -2.164 202 HH11 ARG 27 1HH1 ARG 27 -2.799 6.724 0.370 203 HH12 ARG 27 2HH1 ARG 27 -3.142 7.853 1.637 204 HH21 ARG 27 1HH2 ARG 27 -4.420 10.287 -0.529 205 HH22 ARG 27 2HH2 ARG 27 -4.073 9.899 1.123 206 H TYR 28 H TYR 28 -3.624 3.199 -5.884 207 HA TYR 28 HA TYR 28 -3.370 0.332 -5.371 208 HB2 TYR 28 2HB TYR 28 -4.428 0.894 -7.457 209 HB3 TYR 28 3HB TYR 28 -3.204 2.112 -7.842 210 HD1 TYR 28 HD1 TYR 28 -3.359 -1.577 -7.038 211 HD2 TYR 28 HD2 TYR 28 -1.601 1.532 -9.418 212 HE1 TYR 28 HE1 TYR 28 -2.070 -3.275 -8.295 213 HE2 TYR 28 HE2 TYR 28 -0.309 -0.160 -10.680 214 HH TYR 28 HH TYR 28 -1.027 -3.376 -10.723 215 H PHE 29 H PHE 29 -1.400 -0.752 -5.221 216 HA PHE 29 HA PHE 29 1.018 0.883 -5.599 217 HB2 PHE 29 2HB PHE 29 1.911 0.221 -3.517 218 HB3 PHE 29 3HB PHE 29 0.242 0.668 -3.143 219 HD1 PHE 29 HD1 PHE 29 -1.469 -1.105 -2.738 220 HD2 PHE 29 HD2 PHE 29 2.690 -2.035 -3.264 221 HE1 PHE 29 HE1 PHE 29 -1.842 -3.339 -1.736 222 HE2 PHE 29 HE2 PHE 29 2.320 -4.270 -2.261 223 HZ PHE 29 HZ PHE 29 0.049 -4.927 -1.498 224 H HIS 30 H HIS 30 3.012 -0.467 -5.913 225 HA HIS 30 HA HIS 30 2.325 -3.106 -7.023 226 HB2 HIS 30 2HB HIS 30 4.759 -1.300 -7.436 227 HB3 HIS 30 3HB HIS 30 4.558 -2.908 -8.146 228 HD2 HIS 30 HD2 HIS 30 2.998 -2.998 -10.454 229 HE1 HIS 30 HE1 HIS 30 1.871 1.132 -10.446 230 H VAL 31 H VAL 31 3.461 -4.989 -6.344 231 HA VAL 31 HA VAL 31 4.237 -5.037 -3.680 232 HB VAL 31 HB VAL 31 5.070 -7.323 -4.179 233 HG11 VAL 31 1HG1 VAL 31 2.959 -8.255 -5.079 234 HG12 VAL 31 2HG1 VAL 31 2.656 -6.960 -3.872 235 HG13 VAL 31 3HG1 VAL 31 2.472 -6.615 -5.625 236 HG21 VAL 31 3HG2 VAL 31 6.163 -6.857 -6.331 237 HG22 VAL 31 1HG2 VAL 31 4.978 -8.196 -6.493 238 HG23 VAL 31 2HG2 VAL 31 4.565 -6.554 -7.092 239 H ILE 32 H ILE 32 6.058 -4.175 -6.597 240 HA ILE 32 HA ILE 32 8.614 -4.752 -5.465 241 HB ILE 32 HB ILE 32 9.488 -3.526 -7.426 242 HG12 ILE 32 2HG1 ILE 32 6.567 -2.915 -8.077 243 HG13 ILE 32 3HG1 ILE 32 7.696 -1.745 -7.381 244 HG21 ILE 32 1HG2 ILE 32 8.497 -4.935 -9.200 245 HG22 ILE 32 2HG2 ILE 32 8.811 -5.872 -7.701 246 HG23 ILE 32 3HG2 ILE 32 7.138 -5.355 -8.103 247 HD11 ILE 32 3HD1 ILE 32 8.012 -3.141 -10.077 248 HD12 ILE 32 1HD1 ILE 32 7.494 -1.443 -9.808 249 HD13 ILE 32 2HD1 ILE 32 9.159 -1.954 -9.371 250 H LYS 33 H LYS 33 6.264 -2.232 -4.986 251 HA LYS 33 HA LYS 33 8.326 -0.248 -4.360 252 HB2 LYS 33 2HB LYS 33 5.282 -0.118 -4.582 253 HB3 LYS 33 3HB LYS 33 6.292 1.240 -4.069 254 HG2 LYS 33 2HG LYS 33 7.379 1.366 -6.234 255 HG3 LYS 33 3HG LYS 33 6.670 -0.169 -6.753 256 HD2 LYS 33 2HD LYS 33 4.396 0.812 -6.673 257 HD3 LYS 33 3HD LYS 33 5.046 2.331 -6.043 258 HE2 LYS 33 2HE LYS 33 6.324 2.705 -8.112 259 HE3 LYS 33 3HE LYS 33 5.858 1.116 -8.734 260 HZ1 LYS 33 3HZ LYS 33 4.043 3.381 -8.213 261 HZ2 LYS 33 1HZ LYS 33 4.470 2.784 -9.672 262 HZ3 LYS 33 2HZ LYS 33 3.542 1.894 -8.665 263 H VAL 34 H VAL 34 7.511 -2.832 -2.718 264 HA VAL 34 HA VAL 34 6.911 -1.378 -0.241 265 HB VAL 34 HB VAL 34 6.718 -4.365 -0.892 266 HG11 VAL 34 1HG1 VAL 34 5.607 -4.545 1.314 267 HG12 VAL 34 2HG1 VAL 34 7.299 -3.962 1.463 268 HG13 VAL 34 3HG1 VAL 34 5.934 -2.805 1.615 269 HG21 VAL 34 3HG2 VAL 34 4.985 -3.038 -2.022 270 HG22 VAL 34 1HG2 VAL 34 4.276 -4.014 -0.692 271 HG23 VAL 34 2HG2 VAL 34 4.552 -2.253 -0.465 272 H ALA 35 H ALA 35 8.376 -1.453 1.506 273 HA ALA 35 HA ALA 35 11.070 -2.070 0.807 274 HB1 ALA 35 3HB ALA 35 9.758 -1.311 3.462 275 HB2 ALA 35 1HB ALA 35 11.524 -1.339 3.135 276 HB3 ALA 35 2HB ALA 35 10.467 -0.178 2.263 277 H ASN 36 H ASN 36 8.670 -3.540 3.143 278 HA ASN 36 HA ASN 36 10.205 -6.022 2.840 279 HB2 ASN 36 2HB ASN 36 9.218 -4.801 5.443 280 HB3 ASN 36 3HB ASN 36 9.697 -6.495 5.268 281 HD21 ASN 36 1HD2 ASN 36 10.712 -3.325 5.830 282 HD22 ASN 36 2HD2 ASN 36 12.415 -3.632 5.904 283 HA PRO 37 HA PRO 37 5.694 -6.571 1.959 284 HB2 PRO 37 2HB PRO 37 6.130 -8.307 -0.183 285 HB3 PRO 37 3HB PRO 37 6.140 -6.552 -0.399 286 HG2 PRO 37 2HG PRO 37 8.490 -8.442 -0.032 287 HG3 PRO 37 3HG PRO 37 8.298 -7.123 -1.195 288 HD2 PRO 37 2HD PRO 37 9.756 -6.757 1.062 289 HD3 PRO 37 3HD PRO 37 8.756 -5.444 0.427 290 H ASP 38 H ASP 38 8.333 -8.734 2.792 291 HA ASP 38 HA ASP 38 6.715 -11.033 3.149 292 HB2 ASP 38 2HB ASP 38 9.366 -10.082 4.316 293 HB3 ASP 38 3HB ASP 38 8.634 -11.627 4.768 294 H LEU 39 H LEU 39 7.235 -8.052 5.052 295 HA LEU 39 HA LEU 39 6.041 -9.308 7.411 296 HB2 LEU 39 2HB LEU 39 7.213 -6.528 6.904 297 HB3 LEU 39 3HB LEU 39 6.585 -7.096 8.457 298 HG LEU 39 HG LEU 39 8.972 -8.316 6.972 299 HD11 LEU 39 1HD1 LEU 39 10.308 -7.293 8.776 300 HD12 LEU 39 2HD1 LEU 39 9.434 -6.052 7.817 301 HD13 LEU 39 3HD1 LEU 39 8.827 -6.524 9.440 302 HD21 LEU 39 3HD2 LEU 39 7.721 -9.946 8.342 303 HD22 LEU 39 1HD2 LEU 39 9.308 -9.557 9.087 304 HD23 LEU 39 2HD2 LEU 39 7.803 -8.834 9.750 305 H ILE 40 H ILE 40 5.022 -7.657 4.559 306 HA ILE 40 HA ILE 40 2.936 -6.139 5.751 307 HB ILE 40 HB ILE 40 3.437 -7.122 2.898 308 HG12 ILE 40 2HG1 ILE 40 5.075 -5.496 3.756 309 HG13 ILE 40 3HG1 ILE 40 4.079 -4.799 2.471 310 HG21 ILE 40 1HG2 ILE 40 1.690 -5.514 2.209 311 HG22 ILE 40 2HG2 ILE 40 1.027 -6.815 3.255 312 HG23 ILE 40 3HG2 ILE 40 1.323 -5.179 3.935 313 HD11 ILE 40 3HD1 ILE 40 3.696 -4.348 5.466 314 HD12 ILE 40 1HD1 ILE 40 4.419 -3.193 4.296 315 HD13 ILE 40 2HD1 ILE 40 2.685 -3.641 4.161 316 H LYS 41 H LYS 41 0.863 -6.786 6.338 317 HA LYS 41 HA LYS 41 -0.096 -9.325 5.188 318 HB2 LYS 41 2HB LYS 41 -0.402 -8.288 8.044 319 HB3 LYS 41 3HB LYS 41 -1.325 -9.639 7.374 320 HG2 LYS 41 2HG LYS 41 0.798 -10.892 6.975 321 HG3 LYS 41 3HG LYS 41 1.721 -9.540 7.645 322 HD2 LYS 41 2HD LYS 41 0.500 -9.787 9.819 323 HD3 LYS 41 3HD LYS 41 -0.413 -11.145 9.148 324 HE2 LYS 41 2HE LYS 41 1.749 -12.369 8.743 325 HE3 LYS 41 3HE LYS 41 2.629 -11.023 9.479 326 HZ1 LYS 41 3HZ LYS 41 0.597 -12.674 10.841 327 HZ2 LYS 41 1HZ LYS 41 2.212 -12.775 11.056 328 HZ3 LYS 41 2HZ LYS 41 1.409 -11.431 11.520 329 H LYS 42 H LYS 42 -2.601 -9.461 5.355 330 HA LYS 42 HA LYS 42 -3.641 -7.461 3.798 331 HB2 LYS 42 2HB LYS 42 -5.009 -9.385 5.737 332 HB3 LYS 42 3HB LYS 42 -5.882 -8.383 4.570 333 HG2 LYS 42 2HG LYS 42 -4.650 -9.498 2.700 334 HG3 LYS 42 3HG LYS 42 -3.794 -10.508 3.873 335 HD2 LYS 42 2HD LYS 42 -5.998 -11.408 4.683 336 HD3 LYS 42 3HD LYS 42 -6.832 -10.425 3.472 337 HE2 LYS 42 2HE LYS 42 -5.584 -11.601 1.652 338 HE3 LYS 42 3HE LYS 42 -4.738 -12.579 2.860 339 HZ1 LYS 42 3HZ LYS 42 -7.657 -12.562 2.426 340 HZ2 LYS 42 1HZ LYS 42 -6.626 -13.735 1.950 341 HZ3 LYS 42 2HZ LYS 42 -6.876 -13.464 3.541 342 H ASP 43 H ASP 43 -4.623 -7.955 7.298 343 HA ASP 43 HA ASP 43 -5.673 -5.263 7.298 344 HB2 ASP 43 2HB ASP 43 -5.558 -7.528 9.337 345 HB3 ASP 43 3HB ASP 43 -6.216 -5.931 9.718 346 H ALA 44 H ALA 44 -2.689 -6.924 8.303 347 HA ALA 44 HA ALA 44 -2.148 -4.882 10.318 348 HB1 ALA 44 3HB ALA 44 -0.678 -7.436 9.506 349 HB2 ALA 44 1HB ALA 44 -0.237 -6.363 10.876 350 HB3 ALA 44 2HB ALA 44 -1.799 -7.248 10.896 351 H ALA 45 H ALA 45 -2.011 -4.643 7.121 352 HA ALA 45 HA ALA 45 0.695 -4.245 6.491 353 HB1 ALA 45 3HB ALA 45 -1.844 -2.964 5.367 354 HB2 ALA 45 1HB ALA 45 -0.225 -2.939 4.590 355 HB3 ALA 45 2HB ALA 45 -1.090 -4.498 4.813 356 H VAL 46 H VAL 46 1.677 -2.047 5.893 357 HA VAL 46 HA VAL 46 1.021 -0.186 8.072 358 HB VAL 46 HB VAL 46 3.427 0.460 8.026 359 HG11 VAL 46 1HG1 VAL 46 4.318 -1.597 9.076 360 HG12 VAL 46 2HG1 VAL 46 2.647 -1.234 9.627 361 HG13 VAL 46 3HG1 VAL 46 2.932 -2.529 8.416 362 HG21 VAL 46 3HG2 VAL 46 3.921 -0.126 5.690 363 HG22 VAL 46 1HG2 VAL 46 5.051 -0.960 6.810 364 HG23 VAL 46 2HG2 VAL 46 3.692 -1.868 6.065 365 H THR 47 H THR 47 2.076 2.137 7.510 366 HA THR 47 HA THR 47 0.774 2.875 5.054 367 HB THR 47 HB THR 47 0.597 4.166 7.246 368 HG1 THR 47 HG1 THR 47 0.791 6.240 6.130 369 HG21 THR 47 3HG2 THR 47 3.444 4.989 6.490 370 HG22 THR 47 1HG2 THR 47 2.445 5.725 7.789 371 HG23 THR 47 2HG2 THR 47 2.967 4.011 7.919 372 H PHE 48 H PHE 48 2.275 5.093 4.141 373 HA PHE 48 HA PHE 48 4.782 3.952 3.245 374 HB2 PHE 48 2HB PHE 48 4.018 3.849 0.874 375 HB3 PHE 48 3HB PHE 48 3.240 2.641 1.905 376 HD1 PHE 48 HD1 PHE 48 0.860 2.883 2.553 377 HD2 PHE 48 HD2 PHE 48 2.753 5.648 -0.138 378 HE1 PHE 48 HE1 PHE 48 -1.362 3.691 1.820 379 HE2 PHE 48 HE2 PHE 48 0.529 6.458 -0.866 380 HZ PHE 48 HZ PHE 48 -1.530 5.482 0.109 381 H GLU 49 H GLU 49 5.778 5.418 1.482 382 HA GLU 49 HA GLU 49 5.561 8.123 2.285 383 HB2 GLU 49 2HB GLU 49 7.618 7.033 1.373 384 HB3 GLU 49 3HB GLU 49 6.825 6.864 -0.198 385 HG2 GLU 49 2HG GLU 49 6.651 9.338 -0.390 386 HG3 GLU 49 3HG GLU 49 7.409 9.523 1.197 387 HA PRO 50 HA PRO 50 1.971 9.171 -0.023 388 HB2 PRO 50 2HB PRO 50 2.247 11.958 0.225 389 HB3 PRO 50 3HB PRO 50 1.649 10.944 1.545 390 HG2 PRO 50 2HG PRO 50 4.459 11.984 1.060 391 HG3 PRO 50 3HG PRO 50 3.535 11.941 2.568 392 HD2 PRO 50 2HD PRO 50 5.419 10.064 2.099 393 HD3 PRO 50 3HD PRO 50 3.902 9.601 2.882 394 H THR 51 H THR 51 1.312 9.624 -2.065 395 HA THR 51 HA THR 51 2.977 11.231 -3.749 396 HB THR 51 HB THR 51 4.193 9.063 -3.857 397 HG1 THR 51 HG1 THR 51 4.029 8.847 -6.205 398 HG21 THR 51 3HG2 THR 51 1.530 7.974 -4.895 399 HG22 THR 51 1HG2 THR 51 3.092 7.088 -4.872 400 HG23 THR 51 2HG2 THR 51 2.305 7.563 -3.329 401 H THR 52 H THR 52 1.940 11.551 -5.939 402 HA THR 52 HA THR 52 -0.760 10.525 -6.158 403 HB THR 52 HB THR 52 -1.051 12.578 -4.799 404 HG1 THR 52 HG1 THR 52 -2.499 13.661 -6.320 405 HG21 THR 52 3HG2 THR 52 0.318 13.976 -7.151 406 HG22 THR 52 1HG2 THR 52 -0.460 14.789 -5.752 407 HG23 THR 52 2HG2 THR 52 0.996 13.768 -5.500 408 H ASN 53 H ASN 53 -1.455 10.412 -8.344 409 HA ASN 53 HA ASN 53 0.400 11.615 -10.292 410 HB2 ASN 53 2HB ASN 53 -1.151 9.009 -10.531 411 HB3 ASN 53 3HB ASN 53 -0.142 9.737 -11.789 412 HD21 ASN 53 1HD2 ASN 53 -0.249 7.506 -9.369 413 HD22 ASN 53 2HD2 ASN 53 1.451 7.241 -9.170 414 H ASN 54 H ASN 54 -0.634 12.166 -12.432 415 HA ASN 54 HA ASN 54 -3.177 13.392 -12.060 416 HB2 ASN 54 2HB ASN 54 -1.377 12.956 -14.464 417 HB3 ASN 54 3HB ASN 54 -2.951 13.753 -14.582 418 HD21 ASN 54 1HD2 ASN 54 -0.558 14.958 -15.270 419 HD22 ASN 54 2HD2 ASN 54 -0.331 16.321 -14.225 420 H LYS 55 H LYS 55 -2.125 10.167 -12.990 421 HA LYS 55 HA LYS 55 -4.615 9.613 -14.393 422 HB2 LYS 55 2HB LYS 55 -2.191 7.904 -13.654 423 HB3 LYS 55 3HB LYS 55 -3.599 7.304 -14.540 424 HG2 LYS 55 2HG LYS 55 -3.151 8.930 -16.371 425 HG3 LYS 55 3HG LYS 55 -1.757 9.558 -15.482 426 HD2 LYS 55 2HD LYS 55 -0.687 7.301 -15.552 427 HD3 LYS 55 3HD LYS 55 -2.087 6.657 -16.419 428 HE2 LYS 55 2HE LYS 55 -1.677 8.291 -18.277 429 HE3 LYS 55 3HE LYS 55 -0.263 8.909 -17.413 430 HZ1 LYS 55 3HZ LYS 55 -0.596 6.136 -18.364 431 HZ2 LYS 55 1HZ LYS 55 0.348 7.276 -19.053 432 HZ3 LYS 55 2HZ LYS 55 0.709 6.706 -17.566 433 H GLY 56 H GLY 56 -3.466 9.690 -11.109 434 HA2 GLY 56 2HA GLY 56 -5.732 9.265 -9.847 435 HA3 GLY 56 3HA GLY 56 -5.336 7.595 -10.275 436 H LEU 57 H LEU 57 -5.533 8.164 -7.582 437 HA LEU 57 HA LEU 57 -2.957 8.887 -6.517 438 HB2 LEU 57 2HB LEU 57 -5.479 7.691 -5.266 439 HB3 LEU 57 3HB LEU 57 -4.052 8.201 -4.354 440 HG LEU 57 HG LEU 57 -5.790 10.052 -6.071 441 HD11 LEU 57 1HD1 LEU 57 -6.548 10.955 -3.903 442 HD12 LEU 57 2HD1 LEU 57 -6.973 9.218 -4.078 443 HD13 LEU 57 3HD1 LEU 57 -5.588 9.704 -3.044 444 HD21 LEU 57 3HD2 LEU 57 -3.428 10.751 -5.939 445 HD22 LEU 57 1HD2 LEU 57 -4.482 11.844 -4.981 446 HD23 LEU 57 2HD2 LEU 57 -3.480 10.608 -4.149 447 H SER 58 H SER 58 -1.415 7.509 -5.512 448 HA SER 58 HA SER 58 -1.826 4.632 -5.871 449 HB2 SER 58 2HB SER 58 0.254 4.393 -7.102 450 HB3 SER 58 3HB SER 58 -0.832 5.474 -7.986 451 HG SER 58 HG SER 58 1.580 6.038 -7.543 452 H ALA 59 H ALA 59 0.223 3.425 -4.949 453 HA ALA 59 HA ALA 59 1.121 4.929 -2.569 454 HB1 ALA 59 3HB ALA 59 0.438 1.962 -2.870 455 HB2 ALA 59 1HB ALA 59 1.109 2.739 -1.397 456 HB3 ALA 59 2HB ALA 59 -0.526 3.192 -1.985 457 H TYR 60 H TYR 60 3.312 4.717 -1.943 458 HA TYR 60 HA TYR 60 5.026 3.075 -3.627 459 HB2 TYR 60 2HB TYR 60 4.841 5.075 -4.983 460 HB3 TYR 60 3HB TYR 60 5.056 6.127 -3.578 461 HD1 TYR 60 HD1 TYR 60 6.838 3.468 -5.556 462 HD2 TYR 60 HD2 TYR 60 7.194 6.922 -3.032 463 HE1 TYR 60 HE1 TYR 60 9.281 3.503 -5.956 464 HE2 TYR 60 HE2 TYR 60 9.635 6.965 -3.430 465 HH TYR 60 HH TYR 60 11.359 6.026 -4.440 466 H ALA 61 H ALA 61 7.038 2.598 -2.632 467 HA ALA 61 HA ALA 61 8.430 2.274 -0.934 468 HB1 ALA 61 3HB ALA 61 7.791 5.214 -0.382 469 HB2 ALA 61 1HB ALA 61 9.180 4.298 0.294 470 HB3 ALA 61 2HB ALA 61 9.072 4.590 -1.475 471 H VAL 62 H VAL 62 6.302 0.950 -0.202 472 HA VAL 62 HA VAL 62 5.084 1.901 2.173 473 HB VAL 62 HB VAL 62 5.403 -0.932 1.055 474 HG11 VAL 62 1HG1 VAL 62 3.486 -1.496 2.518 475 HG12 VAL 62 2HG1 VAL 62 4.913 -0.955 3.464 476 HG13 VAL 62 3HG1 VAL 62 3.531 0.162 3.207 477 HG21 VAL 62 3HG2 VAL 62 4.215 0.581 -0.474 478 HG22 VAL 62 1HG2 VAL 62 3.085 -0.612 0.250 479 HG23 VAL 62 2HG2 VAL 62 3.114 1.079 0.854 480 H LYS 63 H LYS 63 5.889 1.902 4.272 481 HA LYS 63 HA LYS 63 8.550 0.653 4.543 482 HB2 LYS 63 2HB LYS 63 7.418 3.250 5.689 483 HB3 LYS 63 3HB LYS 63 8.975 2.551 6.152 484 HG2 LYS 63 2HG LYS 63 9.750 2.744 3.773 485 HG3 LYS 63 3HG LYS 63 8.204 3.486 3.342 486 HD2 LYS 63 2HD LYS 63 8.636 5.323 4.999 487 HD3 LYS 63 3HD LYS 63 10.195 4.587 5.396 488 HE2 LYS 63 2HE LYS 63 10.883 4.817 2.979 489 HE3 LYS 63 3HE LYS 63 9.348 5.630 2.643 490 HZ1 LYS 63 3HZ LYS 63 11.401 6.586 4.535 491 HZ2 LYS 63 1HZ LYS 63 11.110 7.199 3.050 492 HZ3 LYS 63 2HZ LYS 63 9.984 7.336 4.225 493 H VAL 64 H VAL 64 8.647 -0.975 6.034 494 HA VAL 64 HA VAL 64 6.475 -1.152 7.959 495 HB VAL 64 HB VAL 64 8.754 -3.074 7.261 496 HG11 VAL 64 1HG1 VAL 64 7.469 -4.734 8.573 497 HG12 VAL 64 2HG1 VAL 64 8.006 -3.353 9.587 498 HG13 VAL 64 3HG1 VAL 64 6.299 -3.453 9.038 499 HG21 VAL 64 3HG2 VAL 64 7.142 -2.785 5.430 500 HG22 VAL 64 1HG2 VAL 64 6.972 -4.408 6.180 501 HG23 VAL 64 2HG2 VAL 64 5.783 -3.115 6.557 502 H VAL 65 H VAL 65 6.709 -0.576 10.105 503 HA VAL 65 HA VAL 65 9.386 0.207 10.946 504 HB VAL 65 HB VAL 65 6.623 0.636 12.193 505 HG11 VAL 65 1HG1 VAL 65 7.783 2.177 13.745 506 HG12 VAL 65 2HG1 VAL 65 8.364 0.487 13.923 507 HG13 VAL 65 3HG1 VAL 65 9.362 1.691 13.040 508 HG21 VAL 65 3HG2 VAL 65 6.988 1.919 10.128 509 HG22 VAL 65 1HG2 VAL 65 6.990 3.001 11.562 510 HG23 VAL 65 2HG2 VAL 65 8.541 2.546 10.777 511 HA PRO 66 HA PRO 66 9.746 -3.538 13.388 512 HB2 PRO 66 2HB PRO 66 11.969 -2.702 14.842 513 HB3 PRO 66 3HB PRO 66 12.118 -3.247 13.166 514 HG2 PRO 66 2HG PRO 66 11.928 -0.412 14.240 515 HG3 PRO 66 3HG PRO 66 13.034 -1.065 13.024 516 HD2 PRO 66 2HD PRO 66 10.827 0.328 12.271 517 HD3 PRO 66 3HD PRO 66 11.380 -1.054 11.316 518 H LEU 67 H LEU 67 8.463 -4.111 14.995 519 HA LEU 67 HA LEU 67 7.731 -1.986 16.885 520 HB2 LEU 67 2HB LEU 67 6.451 -4.685 16.232 521 HB3 LEU 67 3HB LEU 67 5.817 -3.503 17.385 522 HG LEU 67 HG LEU 67 6.133 -3.047 14.371 523 HD11 LEU 67 1HD1 LEU 67 3.668 -3.108 14.360 524 HD12 LEU 67 2HD1 LEU 67 4.363 -4.663 14.929 525 HD13 LEU 67 3HD1 LEU 67 3.668 -3.504 16.112 526 HD21 LEU 67 3HD2 LEU 67 6.429 -0.988 15.699 527 HD22 LEU 67 1HD2 LEU 67 4.866 -0.969 14.815 528 HD23 LEU 67 2HD2 LEU 67 4.898 -1.326 16.575 529 H GLU 68 H GLU 68 9.749 -4.810 16.651 530 HA GLU 68 HA GLU 68 9.827 -4.910 19.598 531 HB2 GLU 68 2HB GLU 68 10.056 -7.211 17.599 532 HB3 GLU 68 3HB GLU 68 10.421 -7.342 19.324 533 HG2 GLU 68 2HG GLU 68 8.058 -6.725 19.862 534 HG3 GLU 68 3HG GLU 68 7.698 -6.617 18.134 535 H HIS 69 H HIS 69 11.916 -5.091 20.542 536 HA HIS 69 HA HIS 69 14.165 -5.050 18.655 537 HB2 HIS 69 2HB HIS 69 13.668 -3.038 20.904 538 HB3 HIS 69 3HB HIS 69 15.170 -3.180 19.981 539 HD2 HIS 69 HD2 HIS 69 11.703 -1.491 19.705 540 HE1 HIS 69 HE1 HIS 69 13.679 -0.963 15.945 541 H HIS 70 H HIS 70 16.207 -5.748 19.602 542 HA HIS 70 HA HIS 70 15.765 -7.351 22.021 543 HB2 HIS 70 2HB HIS 70 16.540 -8.487 19.923 544 HB3 HIS 70 3HB HIS 70 17.979 -7.460 19.914 545 HD2 HIS 70 HD2 HIS 70 16.581 -10.609 21.784 546 HE1 HIS 70 HE1 HIS 70 20.554 -9.855 23.190 547 H HIS 71 H HIS 71 17.191 -7.210 23.833 548 HA HIS 71 HA HIS 71 19.424 -5.379 23.699 549 HB2 HIS 71 2HB HIS 71 18.646 -3.940 25.518 550 HB3 HIS 71 3HB HIS 71 17.547 -3.830 24.136 551 HD2 HIS 71 HD2 HIS 71 17.486 -4.834 27.892 552 HE1 HIS 71 HE1 HIS 71 13.600 -5.609 26.270 553 H HIS 72 H HIS 72 20.616 -5.360 25.900 554 HA HIS 72 HA HIS 72 19.928 -7.465 27.726 555 HB2 HIS 72 2HB HIS 72 21.008 -8.696 25.791 556 HB3 HIS 72 3HB HIS 72 22.473 -7.741 26.053 557 HD2 HIS 72 HD2 HIS 72 20.697 -10.876 27.496 558 HE1 HIS 72 HE1 HIS 72 24.115 -10.078 29.947 559 H HIS 73 H HIS 73 20.994 -7.186 29.738 560 HA HIS 73 HA HIS 73 23.373 -5.667 29.977 561 HB2 HIS 73 2HB HIS 73 22.463 -3.715 31.152 562 HB3 HIS 73 3HB HIS 73 21.865 -3.777 29.488 563 HD2 HIS 73 HD2 HIS 73 19.080 -4.115 29.221 564 HE1 HIS 73 HE1 HIS 73 18.236 -4.080 33.416 565 H HIS 74 H HIS 74 23.978 -5.383 32.343 566 HA HIS 74 HA HIS 74 22.705 -7.536 33.890 567 HB2 HIS 74 2HB HIS 74 25.443 -6.193 34.138 568 HB3 HIS 74 3HB HIS 74 24.831 -7.447 35.224 569 HD2 HIS 74 HD2 HIS 74 26.534 -7.123 31.747 570 HE1 HIS 74 HE1 HIS 74 25.581 -11.253 32.350 Start of MODEL 14 1 H1 MET 1 1H MET 1 3.997 10.964 15.573 2 H2 MET 1 2H MET 1 2.899 9.824 15.172 3 H3 MET 1 3H MET 1 4.364 9.382 15.742 4 HA MET 1 HA MET 1 3.954 10.867 13.269 5 HB2 MET 1 2HB MET 1 6.352 9.376 14.437 6 HB3 MET 1 3HB MET 1 6.293 10.070 12.811 7 HG2 MET 1 2HG MET 1 6.114 11.603 15.446 8 HG3 MET 1 3HG MET 1 7.501 11.549 14.350 9 HE1 MET 1 3HE MET 1 6.169 11.909 11.359 10 HE2 MET 1 1HE MET 1 6.470 13.679 11.327 11 HE3 MET 1 2HE MET 1 7.662 12.579 12.099 12 H ALA 2 H ALA 2 4.001 7.663 14.876 13 HA ALA 2 HA ALA 2 4.154 6.134 12.507 14 HB1 ALA 2 3HB ALA 2 2.919 5.531 15.241 15 HB2 ALA 2 1HB ALA 2 3.282 4.320 13.965 16 HB3 ALA 2 2HB ALA 2 4.620 5.226 14.750 17 H MET 3 H MET 3 2.536 5.175 11.202 18 HA MET 3 HA MET 3 -0.216 6.081 11.745 19 HB2 MET 3 2HB MET 3 1.300 6.127 9.094 20 HB3 MET 3 3HB MET 3 -0.448 6.344 9.246 21 HG2 MET 3 2HG MET 3 -0.080 8.369 10.646 22 HG3 MET 3 3HG MET 3 1.670 8.151 10.506 23 HE1 MET 3 3HE MET 3 2.339 7.459 7.493 24 HE2 MET 3 1HE MET 3 2.537 9.148 6.918 25 HE3 MET 3 2HE MET 3 3.087 8.690 8.566 26 H ASN 4 H ASN 4 -1.896 4.673 10.805 27 HA ASN 4 HA ASN 4 -0.840 1.991 10.199 28 HB2 ASN 4 2HB ASN 4 -3.378 2.711 11.712 29 HB3 ASN 4 3HB ASN 4 -2.851 1.079 11.280 30 HD21 ASN 4 1HD2 ASN 4 -2.907 3.365 13.657 31 HD22 ASN 4 2HD2 ASN 4 -1.698 2.696 14.700 32 H GLY 5 H GLY 5 -2.335 0.628 8.816 33 HA2 GLY 5 2HA GLY 5 -4.425 2.075 7.417 34 HA3 GLY 5 3HA GLY 5 -2.996 1.693 6.447 35 H THR 6 H THR 6 -5.197 0.533 5.458 36 HA THR 6 HA THR 6 -4.976 -2.236 6.399 37 HB THR 6 HB THR 6 -7.526 -0.773 5.536 38 HG1 THR 6 HG1 THR 6 -8.157 -1.302 7.750 39 HG21 THR 6 3HG2 THR 6 -7.071 -3.680 6.373 40 HG22 THR 6 1HG2 THR 6 -8.664 -2.914 6.051 41 HG23 THR 6 2HG2 THR 6 -7.472 -3.102 4.720 42 H ILE 7 H ILE 7 -4.467 -3.674 4.744 43 HA ILE 7 HA ILE 7 -4.965 -2.776 2.010 44 HB ILE 7 HB ILE 7 -3.387 -5.107 3.200 45 HG12 ILE 7 2HG1 ILE 7 -2.539 -2.726 1.486 46 HG13 ILE 7 3HG1 ILE 7 -2.374 -2.812 3.244 47 HG21 ILE 7 1HG2 ILE 7 -2.771 -5.692 0.878 48 HG22 ILE 7 2HG2 ILE 7 -4.533 -5.877 1.169 49 HG23 ILE 7 3HG2 ILE 7 -3.917 -4.453 0.266 50 HD11 ILE 7 3HD1 ILE 7 -1.044 -4.685 1.236 51 HD12 ILE 7 1HD1 ILE 7 -0.254 -3.343 2.130 52 HD13 ILE 7 2HD1 ILE 7 -0.876 -4.772 3.022 53 H THR 8 H THR 8 -6.711 -3.542 0.839 54 HA THR 8 HA THR 8 -8.351 -5.524 2.216 55 HB THR 8 HB THR 8 -10.163 -4.724 0.713 56 HG1 THR 8 HG1 THR 8 -9.693 -2.842 -0.634 57 HG21 THR 8 3HG2 THR 8 -8.632 -2.467 2.098 58 HG22 THR 8 1HG2 THR 8 -10.366 -2.430 1.630 59 HG23 THR 8 2HG2 THR 8 -9.797 -3.591 2.877 60 H THR 9 H THR 9 -6.366 -5.024 -0.699 61 HA THR 9 HA THR 9 -6.935 -7.797 -1.385 62 HB THR 9 HB THR 9 -6.973 -5.475 -3.385 63 HG1 THR 9 HG1 THR 9 -9.170 -6.273 -3.728 64 HG21 THR 9 3HG2 THR 9 -7.222 -8.492 -3.816 65 HG22 THR 9 1HG2 THR 9 -7.430 -7.229 -5.075 66 HG23 THR 9 2HG2 THR 9 -5.830 -7.465 -4.295 67 H TRP 10 H TRP 10 -5.028 -8.917 -1.757 68 HA TRP 10 HA TRP 10 -2.814 -7.458 -2.974 69 HB2 TRP 10 2HB TRP 10 -2.450 -7.274 -0.515 70 HB3 TRP 10 3HB TRP 10 -2.585 -9.030 -0.357 71 HD1 TRP 10 HD1 TRP 10 -0.353 -6.540 -2.424 72 HE1 TRP 10 HE1 TRP 10 2.055 -7.485 -2.460 73 HE3 TRP 10 HE3 TRP 10 -1.156 -10.886 0.197 74 HZ2 TRP 10 HZ2 TRP 10 3.431 -9.750 -1.514 75 HZ3 TRP 10 HZ3 TRP 10 0.773 -12.408 0.601 76 HH2 TRP 10 HH2 TRP 10 3.008 -11.858 -0.227 77 H PHE 11 H PHE 11 -2.090 -8.672 -4.675 78 HA PHE 11 HA PHE 11 -2.519 -11.585 -4.494 79 HB2 PHE 11 2HB PHE 11 -2.378 -9.677 -6.874 80 HB3 PHE 11 3HB PHE 11 -2.340 -11.438 -7.031 81 HD1 PHE 11 HD1 PHE 11 -4.333 -11.701 -4.513 82 HD2 PHE 11 HD2 PHE 11 -4.418 -9.605 -8.262 83 HE1 PHE 11 HE1 PHE 11 -6.808 -11.753 -4.488 84 HE2 PHE 11 HE2 PHE 11 -6.891 -9.658 -8.236 85 HZ PHE 11 HZ PHE 11 -8.092 -10.737 -6.351 86 H LYS 12 H LYS 12 -0.614 -12.511 -3.787 87 HA LYS 12 HA LYS 12 1.904 -11.320 -4.138 88 HB2 LYS 12 2HB LYS 12 1.295 -12.975 -2.372 89 HB3 LYS 12 3HB LYS 12 1.138 -14.231 -3.607 90 HG2 LYS 12 2HG LYS 12 3.538 -14.038 -4.159 91 HG3 LYS 12 3HG LYS 12 3.721 -12.702 -3.014 92 HD2 LYS 12 2HD LYS 12 3.054 -14.204 -1.135 93 HD3 LYS 12 3HD LYS 12 2.828 -15.541 -2.270 94 HE2 LYS 12 2HE LYS 12 5.248 -15.352 -2.940 95 HE3 LYS 12 3HE LYS 12 5.459 -14.061 -1.749 96 HZ1 LYS 12 3HZ LYS 12 4.635 -16.826 -1.131 97 HZ2 LYS 12 1HZ LYS 12 6.116 -16.190 -0.871 98 HZ3 LYS 12 2HZ LYS 12 4.830 -15.635 -0.032 99 H ASP 13 H ASP 13 0.069 -13.753 -6.100 100 HA ASP 13 HA ASP 13 2.395 -14.467 -7.616 101 HB2 ASP 13 2HB ASP 13 -0.592 -15.033 -7.860 102 HB3 ASP 13 3HB ASP 13 0.583 -15.613 -9.048 103 H LYS 14 H LYS 14 -0.233 -12.046 -7.904 104 HA LYS 14 HA LYS 14 0.379 -11.727 -10.753 105 HB2 LYS 14 2HB LYS 14 -1.861 -10.556 -9.034 106 HB3 LYS 14 3HB LYS 14 -1.706 -10.408 -10.790 107 HG2 LYS 14 2HG LYS 14 -2.111 -13.028 -9.263 108 HG3 LYS 14 3HG LYS 14 -3.373 -12.129 -10.117 109 HD2 LYS 14 2HD LYS 14 -2.105 -12.393 -12.262 110 HD3 LYS 14 3HD LYS 14 -0.850 -13.299 -11.406 111 HE2 LYS 14 2HE LYS 14 -2.564 -15.004 -10.727 112 HE3 LYS 14 3HE LYS 14 -3.798 -14.105 -11.620 113 HZ1 LYS 14 3HZ LYS 14 -1.377 -15.305 -12.807 114 HZ2 LYS 14 1HZ LYS 14 -2.894 -15.898 -12.924 115 HZ3 LYS 14 2HZ LYS 14 -2.516 -14.475 -13.631 116 H GLY 15 H GLY 15 0.874 -10.202 -7.585 117 HA2 GLY 15 2HA GLY 15 2.117 -8.387 -7.077 118 HA3 GLY 15 3HA GLY 15 2.466 -8.150 -8.795 119 H PHE 16 H PHE 16 -0.927 -8.401 -7.652 120 HA PHE 16 HA PHE 16 -1.163 -5.486 -8.030 121 HB2 PHE 16 2HB PHE 16 -3.134 -7.792 -8.355 122 HB3 PHE 16 3HB PHE 16 -3.650 -6.103 -8.267 123 HD1 PHE 16 HD1 PHE 16 -1.351 -8.380 -10.173 124 HD2 PHE 16 HD2 PHE 16 -3.716 -4.794 -10.205 125 HE1 PHE 16 HE1 PHE 16 -0.936 -8.125 -12.600 126 HE2 PHE 16 HE2 PHE 16 -3.304 -4.544 -12.631 127 HZ PHE 16 HZ PHE 16 -1.910 -6.209 -13.835 128 H GLY 17 H GLY 17 -1.433 -4.286 -6.187 129 HA2 GLY 17 2HA GLY 17 -2.986 -5.516 -4.011 130 HA3 GLY 17 3HA GLY 17 -1.362 -4.904 -3.671 131 H PHE 18 H PHE 18 -3.910 -3.926 -2.516 132 HA PHE 18 HA PHE 18 -3.728 -1.152 -3.490 133 HB2 PHE 18 2HB PHE 18 -6.257 -2.697 -2.736 134 HB3 PHE 18 3HB PHE 18 -6.185 -0.957 -3.045 135 HD1 PHE 18 HD1 PHE 18 -5.900 -4.319 -4.580 136 HD2 PHE 18 HD2 PHE 18 -6.022 -0.084 -5.294 137 HE1 PHE 18 HE1 PHE 18 -6.251 -4.735 -6.995 138 HE2 PHE 18 HE2 PHE 18 -6.376 -0.502 -7.706 139 HZ PHE 18 HZ PHE 18 -6.485 -2.829 -8.563 140 H ILE 19 H ILE 19 -4.003 0.478 -1.851 141 HA ILE 19 HA ILE 19 -4.018 -0.613 0.877 142 HB ILE 19 HB ILE 19 -2.292 1.641 -0.268 143 HG12 ILE 19 2HG1 ILE 19 -1.478 -0.971 1.085 144 HG13 ILE 19 3HG1 ILE 19 -1.597 -0.775 -0.668 145 HG21 ILE 19 1HG2 ILE 19 -1.379 1.849 2.022 146 HG22 ILE 19 2HG2 ILE 19 -3.132 2.236 1.963 147 HG23 ILE 19 3HG2 ILE 19 -2.583 0.652 2.607 148 HD11 ILE 19 3HD1 ILE 19 0.232 0.819 1.183 149 HD12 ILE 19 1HD1 ILE 19 0.721 -0.523 0.094 150 HD13 ILE 19 2HD1 ILE 19 0.111 1.018 -0.598 151 H LYS 20 H LYS 20 -5.453 0.398 2.295 152 HA LYS 20 HA LYS 20 -6.708 2.881 1.344 153 HB2 LYS 20 2HB LYS 20 -8.184 0.957 1.926 154 HB3 LYS 20 3HB LYS 20 -7.500 0.927 3.557 155 HG2 LYS 20 2HG LYS 20 -8.369 3.243 3.951 156 HG3 LYS 20 3HG LYS 20 -9.077 3.244 2.330 157 HD2 LYS 20 2HD LYS 20 -10.457 1.241 2.935 158 HD3 LYS 20 3HD LYS 20 -9.754 1.250 4.558 159 HE2 LYS 20 2HE LYS 20 -10.665 3.538 4.953 160 HE3 LYS 20 3HE LYS 20 -11.346 3.558 3.320 161 HZ1 LYS 20 3HZ LYS 20 -12.083 1.650 5.448 162 HZ2 LYS 20 1HZ LYS 20 -12.978 2.922 4.952 163 HZ3 LYS 20 2HZ LYS 20 -12.711 1.668 3.941 164 H ASP 21 H ASP 21 -6.166 4.822 2.285 165 HA ASP 21 HA ASP 21 -4.105 4.652 4.334 166 HB2 ASP 21 2HB ASP 21 -4.079 6.048 2.109 167 HB3 ASP 21 3HB ASP 21 -5.141 7.166 2.974 168 H GLU 22 H GLU 22 -4.145 6.420 6.115 169 HA GLU 22 HA GLU 22 -6.546 6.354 7.579 170 HB2 GLU 22 2HB GLU 22 -4.071 8.133 7.683 171 HB3 GLU 22 3HB GLU 22 -5.397 8.262 8.846 172 HG2 GLU 22 2HG GLU 22 -5.033 5.888 9.525 173 HG3 GLU 22 3HG GLU 22 -3.709 5.757 8.360 174 H ASN 23 H ASN 23 -5.472 8.396 4.887 175 HA ASN 23 HA ASN 23 -7.373 10.477 5.516 176 HB2 ASN 23 2HB ASN 23 -5.542 9.935 3.156 177 HB3 ASN 23 3HB ASN 23 -6.693 11.278 3.198 178 HD21 ASN 23 1HD2 ASN 23 -3.904 11.509 2.955 179 HD22 ASN 23 2HD2 ASN 23 -3.355 12.441 4.307 180 H GLY 24 H GLY 24 -7.533 7.311 4.123 181 HA2 GLY 24 2HA GLY 24 -9.556 6.350 3.546 182 HA3 GLY 24 3HA GLY 24 -10.231 7.945 3.189 183 H ASP 25 H ASP 25 -7.166 7.956 1.761 184 HA ASP 25 HA ASP 25 -8.269 7.658 -0.853 185 HB2 ASP 25 2HB ASP 25 -5.461 8.060 0.265 186 HB3 ASP 25 3HB ASP 25 -5.767 7.866 -1.466 187 H ASN 26 H ASN 26 -7.982 5.976 -2.378 188 HA ASN 26 HA ASN 26 -6.809 3.521 -1.261 189 HB2 ASN 26 2HB ASN 26 -8.810 3.940 -3.514 190 HB3 ASN 26 3HB ASN 26 -8.097 2.383 -3.075 191 HD21 ASN 26 1HD2 ASN 26 -10.707 4.335 -2.702 192 HD22 ASN 26 2HD2 ASN 26 -11.396 3.604 -1.291 193 H ARG 27 H ARG 27 -4.825 2.913 -2.035 194 HA ARG 27 HA ARG 27 -4.014 4.114 -4.601 195 HB2 ARG 27 2HB ARG 27 -2.364 3.500 -2.141 196 HB3 ARG 27 3HB ARG 27 -1.681 3.901 -3.722 197 HG2 ARG 27 2HG ARG 27 -2.847 6.092 -3.675 198 HG3 ARG 27 3HG ARG 27 -3.540 5.692 -2.098 199 HD2 ARG 27 2HD ARG 27 -1.310 5.575 -1.121 200 HD3 ARG 27 3HD ARG 27 -0.583 5.906 -2.698 201 HE ARG 27 HE ARG 27 -1.297 8.155 -2.551 202 HH11 ARG 27 1HH1 ARG 27 -2.312 6.319 0.269 203 HH12 ARG 27 2HH1 ARG 27 -2.589 7.732 1.231 204 HH21 ARG 27 1HH2 ARG 27 -1.666 9.955 -1.310 205 HH22 ARG 27 2HH2 ARG 27 -2.219 9.819 0.326 206 H TYR 28 H TYR 28 -3.115 2.777 -6.193 207 HA TYR 28 HA TYR 28 -2.983 -0.078 -5.531 208 HB2 TYR 28 2HB TYR 28 -4.287 0.383 -7.492 209 HB3 TYR 28 3HB TYR 28 -3.087 1.518 -8.123 210 HD1 TYR 28 HD1 TYR 28 -3.444 -2.111 -7.172 211 HD2 TYR 28 HD2 TYR 28 -1.545 0.778 -9.717 212 HE1 TYR 28 HE1 TYR 28 -2.389 -3.943 -8.460 213 HE2 TYR 28 HE2 TYR 28 -0.491 -1.049 -11.012 214 HH TYR 28 HH TYR 28 -1.502 -4.136 -11.005 215 H PHE 29 H PHE 29 -1.044 -1.219 -5.499 216 HA PHE 29 HA PHE 29 1.366 0.275 -6.276 217 HB2 PHE 29 2HB PHE 29 2.457 -0.276 -4.208 218 HB3 PHE 29 3HB PHE 29 0.915 0.485 -3.790 219 HD1 PHE 29 HD1 PHE 29 -0.906 -0.813 -2.802 220 HD2 PHE 29 HD2 PHE 29 2.838 -2.658 -3.810 221 HE1 PHE 29 HE1 PHE 29 -1.497 -2.772 -1.406 222 HE2 PHE 29 HE2 PHE 29 2.247 -4.622 -2.420 223 HZ PHE 29 HZ PHE 29 0.073 -4.687 -1.224 224 H HIS 30 H HIS 30 3.293 -1.180 -6.577 225 HA HIS 30 HA HIS 30 2.456 -3.946 -7.150 226 HB2 HIS 30 2HB HIS 30 4.903 -2.391 -8.127 227 HB3 HIS 30 3HB HIS 30 4.454 -4.036 -8.597 228 HD2 HIS 30 HD2 HIS 30 2.483 -4.221 -10.586 229 HE1 HIS 30 HE1 HIS 30 1.937 -0.002 -11.075 230 H VAL 31 H VAL 31 3.815 -5.714 -6.417 231 HA VAL 31 HA VAL 31 4.829 -5.408 -3.853 232 HB VAL 31 HB VAL 31 5.815 -7.674 -4.206 233 HG11 VAL 31 1HG1 VAL 31 3.696 -8.845 -4.718 234 HG12 VAL 31 2HG1 VAL 31 3.439 -7.446 -3.621 235 HG13 VAL 31 3HG1 VAL 31 3.011 -7.315 -5.361 236 HG21 VAL 31 3HG2 VAL 31 6.592 -7.379 -6.520 237 HG22 VAL 31 1HG2 VAL 31 5.510 -8.807 -6.386 238 HG23 VAL 31 2HG2 VAL 31 4.893 -7.274 -7.091 239 H ILE 32 H ILE 32 6.325 -4.785 -7.015 240 HA ILE 32 HA ILE 32 8.999 -4.951 -6.035 241 HB ILE 32 HB ILE 32 9.592 -3.888 -8.192 242 HG12 ILE 32 2HG1 ILE 32 6.581 -3.702 -8.676 243 HG13 ILE 32 3HG1 ILE 32 7.599 -2.332 -8.214 244 HG21 ILE 32 1HG2 ILE 32 8.663 -5.615 -9.699 245 HG22 ILE 32 2HG2 ILE 32 9.188 -6.311 -8.128 246 HG23 ILE 32 3HG2 ILE 32 7.442 -6.041 -8.453 247 HD11 ILE 32 3HD1 ILE 32 7.910 -4.011 -10.744 248 HD12 ILE 32 1HD1 ILE 32 7.203 -2.363 -10.635 249 HD13 ILE 32 2HD1 ILE 32 8.944 -2.619 -10.275 250 H LYS 33 H LYS 33 6.411 -2.579 -5.830 251 HA LYS 33 HA LYS 33 8.305 -0.411 -5.333 252 HB2 LYS 33 2HB LYS 33 5.249 -0.497 -5.322 253 HB3 LYS 33 3HB LYS 33 6.240 0.955 -5.132 254 HG2 LYS 33 2HG LYS 33 6.152 -0.829 -7.615 255 HG3 LYS 33 3HG LYS 33 5.341 0.732 -7.433 256 HD2 LYS 33 2HD LYS 33 7.571 1.831 -7.062 257 HD3 LYS 33 3HD LYS 33 8.367 0.269 -7.291 258 HE2 LYS 33 2HE LYS 33 7.376 0.117 -9.595 259 HE3 LYS 33 3HE LYS 33 6.620 1.698 -9.363 260 HZ1 LYS 33 3HZ LYS 33 9.524 1.179 -9.314 261 HZ2 LYS 33 1HZ LYS 33 8.698 1.876 -10.538 262 HZ3 LYS 33 2HZ LYS 33 8.826 2.639 -9.101 263 H VAL 34 H VAL 34 7.458 -3.030 -3.564 264 HA VAL 34 HA VAL 34 6.928 -1.485 -1.132 265 HB VAL 34 HB VAL 34 6.763 -4.500 -1.652 266 HG11 VAL 34 1HG1 VAL 34 5.612 -4.576 0.537 267 HG12 VAL 34 2HG1 VAL 34 7.294 -3.967 0.687 268 HG13 VAL 34 3HG1 VAL 34 5.915 -2.819 0.753 269 HG21 VAL 34 3HG2 VAL 34 5.041 -3.254 -2.885 270 HG22 VAL 34 1HG2 VAL 34 4.315 -4.166 -1.519 271 HG23 VAL 34 2HG2 VAL 34 4.568 -2.393 -1.382 272 H ALA 35 H ALA 35 8.402 -1.486 0.608 273 HA ALA 35 HA ALA 35 11.091 -2.177 -0.017 274 HB1 ALA 35 3HB ALA 35 9.737 -1.357 2.601 275 HB2 ALA 35 1HB ALA 35 11.509 -1.420 2.311 276 HB3 ALA 35 2HB ALA 35 10.491 -0.254 1.401 277 H ASN 36 H ASN 36 8.521 -3.659 2.093 278 HA ASN 36 HA ASN 36 10.135 -6.106 1.975 279 HB2 ASN 36 2HB ASN 36 8.777 -4.941 4.431 280 HB3 ASN 36 3HB ASN 36 9.324 -6.618 4.307 281 HD21 ASN 36 1HD2 ASN 36 10.161 -3.429 5.033 282 HD22 ASN 36 2HD2 ASN 36 11.848 -3.690 5.330 283 HA PRO 37 HA PRO 37 5.806 -6.750 0.470 284 HB2 PRO 37 2HB PRO 37 6.586 -8.525 -1.542 285 HB3 PRO 37 3HB PRO 37 6.583 -6.775 -1.796 286 HG2 PRO 37 2HG PRO 37 8.902 -8.591 -1.050 287 HG3 PRO 37 3HG PRO 37 8.849 -7.298 -2.255 288 HD2 PRO 37 2HD PRO 37 9.953 -6.848 0.178 289 HD3 PRO 37 3HD PRO 37 9.015 -5.578 -0.618 290 H ASP 38 H ASP 38 8.331 -8.870 1.697 291 HA ASP 38 HA ASP 38 6.674 -11.168 1.872 292 HB2 ASP 38 2HB ASP 38 9.185 -10.223 3.322 293 HB3 ASP 38 3HB ASP 38 8.396 -11.759 3.703 294 H LEU 39 H LEU 39 6.923 -8.153 3.747 295 HA LEU 39 HA LEU 39 5.634 -9.422 6.050 296 HB2 LEU 39 2HB LEU 39 6.772 -6.616 5.607 297 HB3 LEU 39 3HB LEU 39 6.092 -7.213 7.127 298 HG LEU 39 HG LEU 39 8.584 -8.333 5.737 299 HD11 LEU 39 1HD1 LEU 39 9.786 -7.329 7.644 300 HD12 LEU 39 2HD1 LEU 39 8.922 -6.084 6.680 301 HD13 LEU 39 3HD1 LEU 39 8.246 -6.633 8.251 302 HD21 LEU 39 3HD2 LEU 39 7.317 -10.049 6.979 303 HD22 LEU 39 1HD2 LEU 39 8.847 -9.636 7.823 304 HD23 LEU 39 2HD2 LEU 39 7.286 -8.986 8.426 305 H ILE 40 H ILE 40 4.692 -7.941 3.126 306 HA ILE 40 HA ILE 40 2.654 -6.248 3.960 307 HB ILE 40 HB ILE 40 3.024 -8.002 1.489 308 HG12 ILE 40 2HG1 ILE 40 4.574 -6.075 1.859 309 HG13 ILE 40 3HG1 ILE 40 3.603 -5.938 0.387 310 HG21 ILE 40 1HG2 ILE 40 1.169 -6.737 0.452 311 HG22 ILE 40 2HG2 ILE 40 0.612 -7.712 1.854 312 HG23 ILE 40 3HG2 ILE 40 0.839 -5.938 2.026 313 HD11 ILE 40 3HD1 ILE 40 3.043 -4.518 3.030 314 HD12 ILE 40 1HD1 ILE 40 3.751 -3.784 1.552 315 HD13 ILE 40 2HD1 ILE 40 2.057 -4.380 1.535 316 H LYS 41 H LYS 41 0.704 -6.625 4.977 317 HA LYS 41 HA LYS 41 -0.483 -9.298 4.629 318 HB2 LYS 41 2HB LYS 41 -0.332 -7.636 7.190 319 HB3 LYS 41 3HB LYS 41 -1.295 -9.106 6.990 320 HG2 LYS 41 2HG LYS 41 1.742 -9.013 6.653 321 HG3 LYS 41 3HG LYS 41 0.932 -9.413 8.173 322 HD2 LYS 41 2HD LYS 41 -0.292 -11.284 6.967 323 HD3 LYS 41 3HD LYS 41 0.657 -10.922 5.520 324 HE2 LYS 41 2HE LYS 41 2.767 -11.362 6.784 325 HE3 LYS 41 3HE LYS 41 1.827 -11.705 8.243 326 HZ1 LYS 41 3HZ LYS 41 1.665 -13.224 5.718 327 HZ2 LYS 41 1HZ LYS 41 2.421 -13.712 7.081 328 HZ3 LYS 41 2HZ LYS 41 0.797 -13.541 7.065 329 H LYS 42 H LYS 42 -2.933 -9.178 5.421 330 HA LYS 42 HA LYS 42 -4.215 -7.125 3.937 331 HB2 LYS 42 2HB LYS 42 -5.201 -9.202 5.945 332 HB3 LYS 42 3HB LYS 42 -6.277 -8.107 5.067 333 HG2 LYS 42 2HG LYS 42 -5.438 -9.050 2.898 334 HG3 LYS 42 3HG LYS 42 -4.408 -10.170 3.798 335 HD2 LYS 42 2HD LYS 42 -6.442 -11.120 4.923 336 HD3 LYS 42 3HD LYS 42 -7.463 -10.016 3.992 337 HE2 LYS 42 2HE LYS 42 -6.617 -11.024 1.865 338 HE3 LYS 42 3HE LYS 42 -5.593 -12.127 2.794 339 HZ1 LYS 42 3HZ LYS 42 -8.538 -12.023 2.926 340 HZ2 LYS 42 1HZ LYS 42 -7.654 -13.160 2.156 341 HZ3 LYS 42 2HZ LYS 42 -7.593 -13.041 3.784 342 H ASP 43 H ASP 43 -5.003 -7.871 7.404 343 HA ASP 43 HA ASP 43 -5.544 -5.045 7.762 344 HB2 ASP 43 2HB ASP 43 -5.936 -7.540 9.476 345 HB3 ASP 43 3HB ASP 43 -6.299 -5.908 10.054 346 H ALA 44 H ALA 44 -2.859 -7.229 8.294 347 HA ALA 44 HA ALA 44 -2.152 -6.052 10.851 348 HB1 ALA 44 3HB ALA 44 -0.841 -8.205 9.120 349 HB2 ALA 44 1HB ALA 44 -0.340 -7.747 10.783 350 HB3 ALA 44 2HB ALA 44 -1.955 -8.481 10.501 351 H ALA 45 H ALA 45 -1.427 -5.539 7.444 352 HA ALA 45 HA ALA 45 1.129 -4.319 7.918 353 HB1 ALA 45 3HB ALA 45 -0.830 -4.177 5.574 354 HB2 ALA 45 1HB ALA 45 0.859 -3.566 5.568 355 HB3 ALA 45 2HB ALA 45 0.541 -5.324 5.749 356 H VAL 46 H VAL 46 1.506 -1.940 7.288 357 HA VAL 46 HA VAL 46 -0.772 -0.323 8.202 358 HB VAL 46 HB VAL 46 0.865 1.221 9.250 359 HG11 VAL 46 1HG1 VAL 46 1.487 -0.213 11.172 360 HG12 VAL 46 2HG1 VAL 46 -0.193 -0.527 10.620 361 HG13 VAL 46 3HG1 VAL 46 1.121 -1.674 10.193 362 HG21 VAL 46 3HG2 VAL 46 2.808 0.727 7.831 363 HG22 VAL 46 1HG2 VAL 46 3.213 0.510 9.567 364 HG23 VAL 46 2HG2 VAL 46 2.913 -0.925 8.528 365 H THR 47 H THR 47 -0.367 2.133 7.550 366 HA THR 47 HA THR 47 0.080 2.100 4.718 367 HB THR 47 HB THR 47 -1.749 3.415 5.892 368 HG1 THR 47 HG1 THR 47 -1.410 5.297 4.521 369 HG21 THR 47 3HG2 THR 47 0.612 5.182 6.701 370 HG22 THR 47 1HG2 THR 47 -1.125 5.592 6.898 371 HG23 THR 47 2HG2 THR 47 -0.418 4.215 7.810 372 H PHE 48 H PHE 48 1.158 4.877 4.471 373 HA PHE 48 HA PHE 48 3.940 4.399 5.067 374 HB2 PHE 48 2HB PHE 48 4.609 3.775 2.835 375 HB3 PHE 48 3HB PHE 48 3.399 2.611 3.391 376 HD1 PHE 48 HD1 PHE 48 0.952 2.977 2.637 377 HD2 PHE 48 HD2 PHE 48 4.314 4.935 0.811 378 HE1 PHE 48 HE1 PHE 48 -0.402 3.416 0.612 379 HE2 PHE 48 HE2 PHE 48 2.957 5.374 -1.212 380 HZ PHE 48 HZ PHE 48 0.599 4.617 -1.317 381 H GLU 49 H GLU 49 5.277 5.847 3.298 382 HA GLU 49 HA GLU 49 4.585 8.467 3.827 383 HB2 GLU 49 2HB GLU 49 6.302 7.171 1.668 384 HB3 GLU 49 3HB GLU 49 6.156 8.927 1.825 385 HG2 GLU 49 2HG GLU 49 7.037 8.799 4.152 386 HG3 GLU 49 3HG GLU 49 7.171 7.041 4.009 387 HA PRO 50 HA PRO 50 1.188 9.158 1.159 388 HB2 PRO 50 2HB PRO 50 1.192 11.955 1.276 389 HB3 PRO 50 3HB PRO 50 0.635 10.964 2.631 390 HG2 PRO 50 2HG PRO 50 3.354 12.244 2.195 391 HG3 PRO 50 3HG PRO 50 2.368 12.207 3.662 392 HD2 PRO 50 2HD PRO 50 4.442 10.490 3.378 393 HD3 PRO 50 3HD PRO 50 2.950 9.950 4.159 394 H THR 51 H THR 51 0.554 9.689 -0.922 395 HA THR 51 HA THR 51 2.344 11.216 -2.555 396 HB THR 51 HB THR 51 3.493 9.020 -2.600 397 HG1 THR 51 HG1 THR 51 3.376 8.745 -4.945 398 HG21 THR 51 3HG2 THR 51 0.827 7.974 -3.672 399 HG22 THR 51 1HG2 THR 51 2.364 7.049 -3.588 400 HG23 THR 51 2HG2 THR 51 1.555 7.585 -2.077 401 H THR 52 H THR 52 1.398 11.608 -4.750 402 HA THR 52 HA THR 52 -1.291 10.641 -5.154 403 HB THR 52 HB THR 52 -1.620 12.596 -3.636 404 HG1 THR 52 HG1 THR 52 -3.079 13.735 -5.108 405 HG21 THR 52 3HG2 THR 52 -0.262 14.158 -5.887 406 HG22 THR 52 1HG2 THR 52 -1.074 14.871 -4.451 407 HG23 THR 52 2HG2 THR 52 0.404 13.870 -4.244 408 H ASN 53 H ASN 53 -2.072 11.098 -7.362 409 HA ASN 53 HA ASN 53 -0.164 12.431 -9.115 410 HB2 ASN 53 2HB ASN 53 0.385 9.943 -8.988 411 HB3 ASN 53 3HB ASN 53 -1.188 9.643 -9.739 412 HD21 ASN 53 1HD2 ASN 53 -0.071 8.677 -11.463 413 HD22 ASN 53 2HD2 ASN 53 0.578 9.652 -12.738 414 H ASN 54 H ASN 54 -1.134 13.109 -11.169 415 HA ASN 54 HA ASN 54 -3.867 13.820 -10.738 416 HB2 ASN 54 2HB ASN 54 -1.879 14.325 -12.975 417 HB3 ASN 54 3HB ASN 54 -3.557 14.880 -13.044 418 HD21 ASN 54 1HD2 ASN 54 -1.362 16.565 -13.148 419 HD22 ASN 54 2HD2 ASN 54 -1.430 17.612 -11.770 420 H LYS 55 H LYS 55 -2.211 11.171 -12.363 421 HA LYS 55 HA LYS 55 -4.442 10.663 -14.151 422 HB2 LYS 55 2HB LYS 55 -1.850 9.165 -13.539 423 HB3 LYS 55 3HB LYS 55 -3.049 8.636 -14.727 424 HG2 LYS 55 2HG LYS 55 -2.704 10.732 -16.024 425 HG3 LYS 55 3HG LYS 55 -1.527 11.289 -14.827 426 HD2 LYS 55 2HD LYS 55 -0.094 9.295 -15.300 427 HD3 LYS 55 3HD LYS 55 -1.275 8.722 -16.485 428 HE2 LYS 55 2HE LYS 55 -0.958 10.823 -17.813 429 HE3 LYS 55 3HE LYS 55 0.227 11.390 -16.629 430 HZ1 LYS 55 3HZ LYS 55 0.488 8.945 -18.261 431 HZ2 LYS 55 1HZ LYS 55 1.282 10.350 -18.509 432 HZ3 LYS 55 2HZ LYS 55 1.583 9.469 -17.168 433 H GLY 56 H GLY 56 -3.696 10.062 -10.824 434 HA2 GLY 56 2HA GLY 56 -5.898 9.043 -9.949 435 HA3 GLY 56 3HA GLY 56 -5.338 7.616 -10.831 436 H LEU 57 H LEU 57 -5.757 7.419 -8.066 437 HA LEU 57 HA LEU 57 -3.406 8.087 -6.589 438 HB2 LEU 57 2HB LEU 57 -5.813 6.290 -6.033 439 HB3 LEU 57 3HB LEU 57 -4.535 6.610 -4.853 440 HG LEU 57 HG LEU 57 -6.271 8.793 -6.119 441 HD11 LEU 57 1HD1 LEU 57 -7.453 8.828 -3.953 442 HD12 LEU 57 2HD1 LEU 57 -7.636 7.243 -4.778 443 HD13 LEU 57 3HD1 LEU 57 -6.493 7.413 -3.404 444 HD21 LEU 57 3HD2 LEU 57 -4.056 9.537 -5.325 445 HD22 LEU 57 1HD2 LEU 57 -5.366 10.160 -4.266 446 HD23 LEU 57 2HD2 LEU 57 -4.363 8.770 -3.731 447 H SER 58 H SER 58 -1.539 6.926 -6.283 448 HA SER 58 HA SER 58 -1.633 4.036 -6.622 449 HB2 SER 58 2HB SER 58 0.262 4.022 -8.166 450 HB3 SER 58 3HB SER 58 -1.114 4.870 -8.884 451 HG SER 58 HG SER 58 1.409 5.785 -8.315 452 H ALA 59 H ALA 59 0.558 3.043 -5.910 453 HA ALA 59 HA ALA 59 1.375 4.645 -3.567 454 HB1 ALA 59 3HB ALA 59 0.766 1.657 -3.783 455 HB2 ALA 59 1HB ALA 59 1.389 2.497 -2.323 456 HB3 ALA 59 2HB ALA 59 -0.244 2.893 -2.958 457 H TYR 60 H TYR 60 3.559 4.661 -3.024 458 HA TYR 60 HA TYR 60 5.301 2.791 -4.458 459 HB2 TYR 60 2HB TYR 60 5.778 5.807 -4.327 460 HB3 TYR 60 3HB TYR 60 6.816 4.602 -5.101 461 HD1 TYR 60 HD1 TYR 60 6.033 3.433 -7.183 462 HD2 TYR 60 HD2 TYR 60 3.828 6.677 -5.442 463 HE1 TYR 60 HE1 TYR 60 4.799 3.730 -9.308 464 HE2 TYR 60 HE2 TYR 60 2.587 6.979 -7.564 465 HH TYR 60 HH TYR 60 2.863 4.657 -10.205 466 H ALA 61 H ALA 61 7.438 2.544 -3.430 467 HA ALA 61 HA ALA 61 8.720 2.230 -1.642 468 HB1 ALA 61 3HB ALA 61 7.829 5.096 -1.053 469 HB2 ALA 61 1HB ALA 61 9.240 4.266 -0.317 470 HB3 ALA 61 2HB ALA 61 9.217 4.603 -2.080 471 H VAL 62 H VAL 62 6.471 0.834 -1.160 472 HA VAL 62 HA VAL 62 5.019 1.839 1.082 473 HB VAL 62 HB VAL 62 5.088 -0.909 -0.266 474 HG11 VAL 62 1HG1 VAL 62 2.955 -1.328 0.922 475 HG12 VAL 62 2HG1 VAL 62 4.320 -1.088 2.064 476 HG13 VAL 62 3HG1 VAL 62 3.137 0.234 1.789 477 HG21 VAL 62 3HG2 VAL 62 4.294 0.896 -1.733 478 HG22 VAL 62 1HG2 VAL 62 2.940 -0.187 -1.263 479 HG23 VAL 62 2HG2 VAL 62 3.121 1.418 -0.477 480 H LYS 63 H LYS 63 5.426 1.508 3.263 481 HA LYS 63 HA LYS 63 7.675 -0.308 3.866 482 HB2 LYS 63 2HB LYS 63 8.220 2.123 4.046 483 HB3 LYS 63 3HB LYS 63 6.886 2.332 5.188 484 HG2 LYS 63 2HG LYS 63 7.994 0.812 6.801 485 HG3 LYS 63 3HG LYS 63 9.305 0.517 5.651 486 HD2 LYS 63 2HD LYS 63 9.879 2.953 5.681 487 HD3 LYS 63 3HD LYS 63 8.567 3.249 6.829 488 HE2 LYS 63 2HE LYS 63 9.639 1.762 8.494 489 HE3 LYS 63 3HE LYS 63 10.914 1.346 7.340 490 HZ1 LYS 63 3HZ LYS 63 10.402 4.049 8.408 491 HZ2 LYS 63 1HZ LYS 63 11.619 3.058 8.858 492 HZ3 LYS 63 2HZ LYS 63 11.578 3.666 7.343 493 H VAL 64 H VAL 64 7.274 -1.921 5.340 494 HA VAL 64 HA VAL 64 4.695 -1.786 6.713 495 HB VAL 64 HB VAL 64 6.619 -4.122 6.245 496 HG11 VAL 64 1HG1 VAL 64 4.766 -5.530 7.087 497 HG12 VAL 64 2HG1 VAL 64 5.351 -4.379 8.335 498 HG13 VAL 64 3HG1 VAL 64 3.818 -4.051 7.460 499 HG21 VAL 64 3HG2 VAL 64 5.531 -3.350 4.180 500 HG22 VAL 64 1HG2 VAL 64 4.870 -4.938 4.696 501 HG23 VAL 64 2HG2 VAL 64 3.925 -3.437 4.979 502 H VAL 65 H VAL 65 4.580 -1.528 8.938 503 HA VAL 65 HA VAL 65 7.164 -1.487 10.325 504 HB VAL 65 HB VAL 65 4.496 -0.134 10.981 505 HG11 VAL 65 1HG1 VAL 65 5.750 0.994 12.795 506 HG12 VAL 65 2HG1 VAL 65 5.699 -0.787 13.025 507 HG13 VAL 65 3HG1 VAL 65 7.194 -0.003 12.410 508 HG21 VAL 65 3HG2 VAL 65 5.673 0.893 9.085 509 HG22 VAL 65 1HG2 VAL 65 5.733 1.960 10.528 510 HG23 VAL 65 2HG2 VAL 65 7.177 1.001 10.060 511 HA PRO 66 HA PRO 66 5.737 -5.083 12.581 512 HB2 PRO 66 2HB PRO 66 7.723 -4.981 14.541 513 HB3 PRO 66 3HB PRO 66 8.058 -5.591 12.915 514 HG2 PRO 66 2HG PRO 66 8.566 -2.822 14.055 515 HG3 PRO 66 3HG PRO 66 9.637 -3.832 13.076 516 HD2 PRO 66 2HD PRO 66 8.231 -1.813 11.932 517 HD3 PRO 66 3HD PRO 66 8.491 -3.326 11.054 518 H LEU 67 H LEU 67 4.312 -5.480 14.170 519 HA LEU 67 HA LEU 67 3.641 -3.095 15.770 520 HB2 LEU 67 2HB LEU 67 1.948 -5.497 14.926 521 HB3 LEU 67 3HB LEU 67 1.383 -4.126 15.889 522 HG LEU 67 HG LEU 67 2.389 -3.950 12.998 523 HD11 LEU 67 1HD1 LEU 67 0.018 -3.535 12.456 524 HD12 LEU 67 2HD1 LEU 67 0.251 -5.156 13.194 525 HD13 LEU 67 3HD1 LEU 67 -0.426 -3.812 14.175 526 HD21 LEU 67 3HD2 LEU 67 2.815 -1.909 14.317 527 HD22 LEU 67 1HD2 LEU 67 1.508 -1.643 13.115 528 HD23 LEU 67 2HD2 LEU 67 1.099 -1.886 14.847 529 H GLU 68 H GLU 68 5.311 -6.014 16.066 530 HA GLU 68 HA GLU 68 4.552 -6.157 18.913 531 HB2 GLU 68 2HB GLU 68 5.201 -8.442 16.990 532 HB3 GLU 68 3HB GLU 68 5.091 -8.617 18.746 533 HG2 GLU 68 2HG GLU 68 2.701 -7.872 18.659 534 HG3 GLU 68 3HG GLU 68 2.817 -7.736 16.899 535 H HIS 69 H HIS 69 6.273 -6.229 20.378 536 HA HIS 69 HA HIS 69 8.959 -6.533 19.248 537 HB2 HIS 69 2HB HIS 69 8.020 -4.183 20.968 538 HB3 HIS 69 3HB HIS 69 9.705 -4.533 20.558 539 HD2 HIS 69 HD2 HIS 69 6.609 -2.773 19.033 540 HE1 HIS 69 HE1 HIS 69 9.649 -2.862 16.021 541 H HIS 70 H HIS 70 10.517 -7.336 20.765 542 HA HIS 70 HA HIS 70 9.303 -8.652 23.039 543 HB2 HIS 70 2HB HIS 70 10.934 -9.781 21.493 544 HB3 HIS 70 3HB HIS 70 12.183 -8.639 22.006 545 HD2 HIS 70 HD2 HIS 70 10.426 -11.884 23.280 546 HE1 HIS 70 HE1 HIS 70 13.289 -10.680 26.226 547 H HIS 71 H HIS 71 9.852 -8.310 25.252 548 HA HIS 71 HA HIS 71 11.829 -6.308 25.900 549 HB2 HIS 71 2HB HIS 71 10.287 -4.866 27.143 550 HB3 HIS 71 3HB HIS 71 9.857 -4.898 25.428 551 HD2 HIS 71 HD2 HIS 71 8.294 -5.744 28.882 552 HE1 HIS 71 HE1 HIS 71 5.491 -6.914 25.865 553 H HIS 72 H HIS 72 12.019 -6.099 28.386 554 HA HIS 72 HA HIS 72 10.764 -8.167 29.928 555 HB2 HIS 72 2HB HIS 72 12.611 -9.388 28.680 556 HB3 HIS 72 3HB HIS 72 13.783 -8.316 29.458 557 HD2 HIS 72 HD2 HIS 72 11.721 -11.511 30.254 558 HE1 HIS 72 HE1 HIS 72 13.795 -10.378 33.823 559 H HIS 73 H HIS 73 10.943 -7.744 32.185 560 HA HIS 73 HA HIS 73 12.896 -5.916 33.179 561 HB2 HIS 73 2HB HIS 73 11.336 -4.144 33.873 562 HB3 HIS 73 3HB HIS 73 11.408 -4.273 32.111 563 HD2 HIS 73 HD2 HIS 73 8.988 -4.932 30.860 564 HE1 HIS 73 HE1 HIS 73 6.686 -5.262 34.452 565 H HIS 74 H HIS 74 12.325 -5.375 35.607 566 HA HIS 74 HA HIS 74 10.979 -7.755 36.717 567 HB2 HIS 74 2HB HIS 74 13.264 -6.065 37.845 568 HB3 HIS 74 3HB HIS 74 12.467 -7.393 38.698 569 HD2 HIS 74 HD2 HIS 74 15.118 -6.843 35.866 570 HE1 HIS 74 HE1 HIS 74 14.753 -11.049 36.571 Start of MODEL 15 1 H1 MET 1 1H MET 1 2.486 10.474 16.096 2 H2 MET 1 2H MET 1 1.672 9.246 15.393 3 H3 MET 1 3H MET 1 3.017 8.940 16.267 4 HA MET 1 HA MET 1 3.009 10.593 13.871 5 HB2 MET 1 2HB MET 1 5.212 9.168 15.439 6 HB3 MET 1 3HB MET 1 5.456 10.013 13.904 7 HG2 MET 1 2HG MET 1 4.550 11.262 16.541 8 HG3 MET 1 3HG MET 1 6.146 11.417 15.795 9 HE1 MET 1 3HE MET 1 5.500 11.965 12.624 10 HE2 MET 1 1HE MET 1 5.613 13.750 12.785 11 HE3 MET 1 2HE MET 1 6.712 12.692 13.733 12 H ALA 2 H ALA 2 2.991 7.257 15.183 13 HA ALA 2 HA ALA 2 3.776 6.039 12.726 14 HB1 ALA 2 3HB ALA 2 2.299 4.960 15.177 15 HB2 ALA 2 1HB ALA 2 3.001 3.967 13.856 16 HB3 ALA 2 2HB ALA 2 4.075 4.944 14.912 17 H MET 3 H MET 3 2.504 5.042 11.107 18 HA MET 3 HA MET 3 -0.400 5.463 11.336 19 HB2 MET 3 2HB MET 3 0.518 7.322 10.011 20 HB3 MET 3 3HB MET 3 1.405 6.191 8.982 21 HG2 MET 3 2HG MET 3 -0.714 5.249 8.136 22 HG3 MET 3 3HG MET 3 -1.639 6.298 9.219 23 HE1 MET 3 3HE MET 3 -0.104 9.282 8.896 24 HE2 MET 3 1HE MET 3 -1.391 9.792 7.752 25 HE3 MET 3 2HE MET 3 -1.795 8.729 9.142 26 H ASN 4 H ASN 4 -1.671 3.810 10.418 27 HA ASN 4 HA ASN 4 -0.144 1.658 9.111 28 HB2 ASN 4 2HB ASN 4 -2.429 1.392 11.100 29 HB3 ASN 4 3HB ASN 4 -1.725 0.063 10.170 30 HD21 ASN 4 1HD2 ASN 4 -1.665 1.712 13.040 31 HD22 ASN 4 2HD2 ASN 4 -0.171 1.097 13.665 32 H GLY 5 H GLY 5 -1.347 0.410 7.480 33 HA2 GLY 5 2HA GLY 5 -3.828 1.783 6.621 34 HA3 GLY 5 3HA GLY 5 -2.603 1.171 5.502 35 H THR 6 H THR 6 -5.170 0.258 5.098 36 HA THR 6 HA THR 6 -4.866 -2.522 5.994 37 HB THR 6 HB THR 6 -7.465 -0.968 5.526 38 HG1 THR 6 HG1 THR 6 -7.751 -1.454 7.823 39 HG21 THR 6 3HG2 THR 6 -6.993 -3.883 6.323 40 HG22 THR 6 1HG2 THR 6 -8.586 -3.057 6.248 41 HG23 THR 6 2HG2 THR 6 -7.631 -3.304 4.748 42 H ILE 7 H ILE 7 -4.745 -4.020 4.325 43 HA ILE 7 HA ILE 7 -5.174 -2.996 1.637 44 HB ILE 7 HB ILE 7 -3.939 -5.571 2.733 45 HG12 ILE 7 2HG1 ILE 7 -2.730 -3.224 1.195 46 HG13 ILE 7 3HG1 ILE 7 -2.629 -3.440 2.947 47 HG21 ILE 7 1HG2 ILE 7 -3.336 -6.091 0.391 48 HG22 ILE 7 2HG2 ILE 7 -5.115 -6.052 0.629 49 HG23 ILE 7 3HG2 ILE 7 -4.285 -4.671 -0.165 50 HD11 ILE 7 3HD1 ILE 7 -1.502 -5.347 0.849 51 HD12 ILE 7 1HD1 ILE 7 -0.567 -4.181 1.845 52 HD13 ILE 7 2HD1 ILE 7 -1.400 -5.566 2.629 53 H THR 8 H THR 8 -7.004 -3.474 0.447 54 HA THR 8 HA THR 8 -8.914 -5.271 1.688 55 HB THR 8 HB THR 8 -10.489 -4.365 -0.005 56 HG1 THR 8 HG1 THR 8 -9.694 -2.638 -1.407 57 HG21 THR 8 3HG2 THR 8 -8.826 -2.207 1.385 58 HG22 THR 8 1HG2 THR 8 -10.500 -2.009 0.764 59 HG23 THR 8 2HG2 THR 8 -10.172 -3.143 2.117 60 H THR 9 H THR 9 -6.684 -5.114 -1.102 61 HA THR 9 HA THR 9 -7.297 -7.898 -1.582 62 HB THR 9 HB THR 9 -8.804 -6.605 -3.144 63 HG1 THR 9 HG1 THR 9 -6.848 -7.744 -4.862 64 HG21 THR 9 3HG2 THR 9 -6.143 -5.661 -4.318 65 HG22 THR 9 1HG2 THR 9 -7.764 -5.408 -5.048 66 HG23 THR 9 2HG2 THR 9 -7.356 -4.636 -3.478 67 H TRP 10 H TRP 10 -5.482 -9.053 -2.445 68 HA TRP 10 HA TRP 10 -3.151 -7.497 -3.236 69 HB2 TRP 10 2HB TRP 10 -3.093 -7.713 -0.707 70 HB3 TRP 10 3HB TRP 10 -3.071 -9.471 -0.902 71 HD1 TRP 10 HD1 TRP 10 -0.912 -6.382 -1.982 72 HE1 TRP 10 HE1 TRP 10 1.561 -7.134 -2.066 73 HE3 TRP 10 HE3 TRP 10 -1.549 -11.370 -0.925 74 HZ2 TRP 10 HZ2 TRP 10 3.046 -9.499 -1.729 75 HZ3 TRP 10 HZ3 TRP 10 0.465 -12.832 -0.815 76 HH2 TRP 10 HH2 TRP 10 2.704 -11.926 -1.206 77 H PHE 11 H PHE 11 -2.225 -8.509 -4.977 78 HA PHE 11 HA PHE 11 -2.632 -11.428 -5.171 79 HB2 PHE 11 2HB PHE 11 -2.482 -9.324 -7.386 80 HB3 PHE 11 3HB PHE 11 -2.538 -11.072 -7.649 81 HD1 PHE 11 HD1 PHE 11 -4.592 -12.357 -7.145 82 HD2 PHE 11 HD2 PHE 11 -4.459 -8.082 -6.738 83 HE1 PHE 11 HE1 PHE 11 -7.068 -12.283 -7.108 84 HE2 PHE 11 HE2 PHE 11 -6.934 -8.010 -6.699 85 HZ PHE 11 HZ PHE 11 -8.241 -10.106 -6.886 86 H LYS 12 H LYS 12 -0.689 -12.350 -4.576 87 HA LYS 12 HA LYS 12 1.808 -11.093 -4.927 88 HB2 LYS 12 2HB LYS 12 1.297 -12.907 -3.290 89 HB3 LYS 12 3HB LYS 12 1.084 -14.047 -4.625 90 HG2 LYS 12 2HG LYS 12 3.452 -13.779 -5.276 91 HG3 LYS 12 3HG LYS 12 3.685 -12.552 -4.024 92 HD2 LYS 12 2HD LYS 12 3.113 -14.230 -2.263 93 HD3 LYS 12 3HD LYS 12 2.855 -15.458 -3.509 94 HE2 LYS 12 2HE LYS 12 5.238 -15.187 -4.253 95 HE3 LYS 12 3HE LYS 12 5.490 -13.985 -2.980 96 HZ1 LYS 12 3HZ LYS 12 4.732 -16.800 -2.535 97 HZ2 LYS 12 1HZ LYS 12 6.215 -16.160 -2.299 98 HZ3 LYS 12 2HZ LYS 12 4.964 -15.691 -1.360 99 H ASP 13 H ASP 13 -0.101 -13.390 -6.990 100 HA ASP 13 HA ASP 13 2.151 -13.940 -8.673 101 HB2 ASP 13 2HB ASP 13 -0.839 -14.524 -8.817 102 HB3 ASP 13 3HB ASP 13 0.282 -14.993 -10.102 103 H LYS 14 H LYS 14 -0.503 -11.537 -8.631 104 HA LYS 14 HA LYS 14 0.023 -10.917 -11.447 105 HB2 LYS 14 2HB LYS 14 -2.174 -10.018 -9.520 106 HB3 LYS 14 3HB LYS 14 -2.049 -9.535 -11.217 107 HG2 LYS 14 2HG LYS 14 -2.266 -11.951 -11.890 108 HG3 LYS 14 3HG LYS 14 -2.469 -12.386 -10.188 109 HD2 LYS 14 2HD LYS 14 -4.476 -10.892 -10.049 110 HD3 LYS 14 3HD LYS 14 -4.277 -10.471 -11.756 111 HE2 LYS 14 2HE LYS 14 -4.558 -12.873 -12.385 112 HE3 LYS 14 3HE LYS 14 -4.744 -13.302 -10.680 113 HZ1 LYS 14 3HZ LYS 14 -6.533 -11.505 -12.186 114 HZ2 LYS 14 1HZ LYS 14 -6.861 -13.047 -11.764 115 HZ3 LYS 14 2HZ LYS 14 -6.705 -11.901 -10.612 116 H GLY 15 H GLY 15 0.584 -9.726 -8.144 117 HA2 GLY 15 2HA GLY 15 1.902 -8.016 -7.488 118 HA3 GLY 15 3HA GLY 15 2.245 -7.638 -9.182 119 H PHE 16 H PHE 16 -1.138 -7.844 -7.989 120 HA PHE 16 HA PHE 16 -1.227 -4.894 -8.038 121 HB2 PHE 16 2HB PHE 16 -3.335 -7.020 -8.638 122 HB3 PHE 16 3HB PHE 16 -3.729 -5.316 -8.381 123 HD1 PHE 16 HD1 PHE 16 -1.663 -7.596 -10.521 124 HD2 PHE 16 HD2 PHE 16 -3.578 -3.769 -10.148 125 HE1 PHE 16 HE1 PHE 16 -1.192 -7.126 -12.904 126 HE2 PHE 16 HE2 PHE 16 -3.108 -3.301 -12.532 127 HZ PHE 16 HZ PHE 16 -1.912 -4.979 -13.915 128 H GLY 17 H GLY 17 -1.818 -3.816 -6.164 129 HA2 GLY 17 2HA GLY 17 -3.382 -5.302 -4.187 130 HA3 GLY 17 3HA GLY 17 -1.792 -4.711 -3.686 131 H PHE 18 H PHE 18 -4.513 -3.900 -2.690 132 HA PHE 18 HA PHE 18 -4.316 -1.038 -3.390 133 HB2 PHE 18 2HB PHE 18 -6.686 -2.770 -2.557 134 HB3 PHE 18 3HB PHE 18 -6.724 -1.003 -2.491 135 HD1 PHE 18 HD1 PHE 18 -4.806 -0.907 -5.095 136 HD2 PHE 18 HD2 PHE 18 -8.589 -2.706 -4.142 137 HE1 PHE 18 HE1 PHE 18 -5.445 -0.831 -7.485 138 HE2 PHE 18 HE2 PHE 18 -9.225 -2.634 -6.533 139 HZ PHE 18 HZ PHE 18 -7.653 -1.693 -8.208 140 H ILE 19 H ILE 19 -4.369 0.499 -1.648 141 HA ILE 19 HA ILE 19 -4.443 -0.703 1.027 142 HB ILE 19 HB ILE 19 -2.593 1.515 0.011 143 HG12 ILE 19 2HG1 ILE 19 -1.958 -1.182 1.298 144 HG13 ILE 19 3HG1 ILE 19 -1.966 -0.897 -0.447 145 HG21 ILE 19 1HG2 ILE 19 -1.746 1.626 2.331 146 HG22 ILE 19 2HG2 ILE 19 -3.479 2.088 2.228 147 HG23 ILE 19 3HG2 ILE 19 -3.017 0.466 2.846 148 HD11 ILE 19 3HD1 ILE 19 -0.177 0.517 1.581 149 HD12 ILE 19 1HD1 ILE 19 0.314 -0.794 0.455 150 HD13 ILE 19 2HD1 ILE 19 -0.185 0.806 -0.191 151 H LYS 20 H LYS 20 -5.949 0.259 2.393 152 HA LYS 20 HA LYS 20 -7.056 2.842 1.546 153 HB2 LYS 20 2HB LYS 20 -8.602 0.934 2.021 154 HB3 LYS 20 3HB LYS 20 -7.966 0.839 3.668 155 HG2 LYS 20 2HG LYS 20 -8.776 3.174 4.097 156 HG3 LYS 20 3HG LYS 20 -9.446 3.229 2.462 157 HD2 LYS 20 2HD LYS 20 -10.892 1.251 2.992 158 HD3 LYS 20 3HD LYS 20 -10.228 1.209 4.631 159 HE2 LYS 20 2HE LYS 20 -11.085 3.520 5.044 160 HE3 LYS 20 3HE LYS 20 -11.738 3.575 3.401 161 HZ1 LYS 20 3HZ LYS 20 -12.552 1.658 5.491 162 HZ2 LYS 20 1HZ LYS 20 -13.410 2.956 4.997 163 HZ3 LYS 20 2HZ LYS 20 -13.155 1.709 3.974 164 H ASP 21 H ASP 21 -6.450 4.716 2.571 165 HA ASP 21 HA ASP 21 -4.454 4.414 4.653 166 HB2 ASP 21 2HB ASP 21 -4.424 5.968 2.529 167 HB3 ASP 21 3HB ASP 21 -5.479 7.022 3.480 168 H GLU 22 H GLU 22 -4.510 6.013 6.570 169 HA GLU 22 HA GLU 22 -6.947 5.849 7.975 170 HB2 GLU 22 2HB GLU 22 -4.420 7.524 8.308 171 HB3 GLU 22 3HB GLU 22 -5.775 7.611 9.440 172 HG2 GLU 22 2HG GLU 22 -5.530 5.150 9.886 173 HG3 GLU 22 3HG GLU 22 -4.138 5.108 8.796 174 H ASN 23 H ASN 23 -5.790 8.088 5.499 175 HA ASN 23 HA ASN 23 -7.701 10.125 6.229 176 HB2 ASN 23 2HB ASN 23 -5.869 9.703 3.847 177 HB3 ASN 23 3HB ASN 23 -7.030 11.033 3.943 178 HD21 ASN 23 1HD2 ASN 23 -4.244 11.297 3.715 179 HD22 ASN 23 2HD2 ASN 23 -3.702 12.173 5.107 180 H GLY 24 H GLY 24 -7.785 7.059 4.541 181 HA2 GLY 24 2HA GLY 24 -9.875 6.090 4.190 182 HA3 GLY 24 3HA GLY 24 -10.588 7.689 3.940 183 H ASP 25 H ASP 25 -7.586 7.530 2.262 184 HA ASP 25 HA ASP 25 -9.019 7.307 -0.250 185 HB2 ASP 25 2HB ASP 25 -6.151 7.988 0.539 186 HB3 ASP 25 3HB ASP 25 -6.659 7.806 -1.145 187 H ASN 26 H ASN 26 -9.004 5.538 -1.617 188 HA ASN 26 HA ASN 26 -7.373 3.261 -0.788 189 HB2 ASN 26 2HB ASN 26 -9.774 2.919 -1.241 190 HB3 ASN 26 3HB ASN 26 -9.557 3.520 -2.890 191 HD21 ASN 26 1HD2 ASN 26 -10.605 1.026 -2.247 192 HD22 ASN 26 2HD2 ASN 26 -9.554 -0.173 -2.923 193 H ARG 27 H ARG 27 -5.340 3.069 -1.661 194 HA ARG 27 HA ARG 27 -4.934 4.342 -4.287 195 HB2 ARG 27 2HB ARG 27 -2.943 4.135 -2.014 196 HB3 ARG 27 3HB ARG 27 -2.668 4.866 -3.600 197 HG2 ARG 27 2HG ARG 27 -4.598 6.469 -3.045 198 HG3 ARG 27 3HG ARG 27 -4.519 5.842 -1.394 199 HD2 ARG 27 2HD ARG 27 -2.146 6.519 -1.274 200 HD3 ARG 27 3HD ARG 27 -2.273 7.193 -2.904 201 HE ARG 27 HE ARG 27 -3.642 8.941 -2.064 202 HH11 ARG 27 1HH1 ARG 27 -2.610 6.761 0.492 203 HH12 ARG 27 2HH1 ARG 27 -2.932 7.905 1.753 204 HH21 ARG 27 1HH2 ARG 27 -4.061 10.389 -0.439 205 HH22 ARG 27 2HH2 ARG 27 -3.765 9.988 1.220 206 H TYR 28 H TYR 28 -3.520 3.289 -5.796 207 HA TYR 28 HA TYR 28 -3.330 0.413 -5.280 208 HB2 TYR 28 2HB TYR 28 -4.456 0.951 -7.322 209 HB3 TYR 28 3HB TYR 28 -3.260 2.177 -7.761 210 HD1 TYR 28 HD1 TYR 28 -3.361 -1.514 -6.957 211 HD2 TYR 28 HD2 TYR 28 -1.716 1.609 -9.399 212 HE1 TYR 28 HE1 TYR 28 -2.109 -3.202 -8.263 213 HE2 TYR 28 HE2 TYR 28 -0.464 -0.075 -10.713 214 HH TYR 28 HH TYR 28 -1.164 -3.332 -10.680 215 H PHE 29 H PHE 29 -1.377 -0.710 -5.204 216 HA PHE 29 HA PHE 29 1.059 0.854 -5.714 217 HB2 PHE 29 2HB PHE 29 2.023 0.244 -3.635 218 HB3 PHE 29 3HB PHE 29 0.398 0.813 -3.231 219 HD1 PHE 29 HD1 PHE 29 -1.391 -0.821 -2.644 220 HD2 PHE 29 HD2 PHE 29 2.676 -2.041 -3.284 221 HE1 PHE 29 HE1 PHE 29 -1.853 -2.963 -1.488 222 HE2 PHE 29 HE2 PHE 29 2.217 -4.185 -2.129 223 HZ PHE 29 HZ PHE 29 -0.052 -4.651 -1.235 224 H HIS 30 H HIS 30 3.016 -0.571 -5.997 225 HA HIS 30 HA HIS 30 2.219 -3.229 -6.978 226 HB2 HIS 30 2HB HIS 30 4.723 -1.552 -7.503 227 HB3 HIS 30 3HB HIS 30 4.409 -3.158 -8.173 228 HD2 HIS 30 HD2 HIS 30 2.877 -3.182 -10.481 229 HE1 HIS 30 HE1 HIS 30 1.829 0.969 -10.452 230 H VAL 31 H VAL 31 3.313 -5.121 -6.246 231 HA VAL 31 HA VAL 31 4.222 -5.097 -3.624 232 HB VAL 31 HB VAL 31 4.997 -7.416 -4.096 233 HG11 VAL 31 1HG1 VAL 31 2.816 -8.335 -4.820 234 HG12 VAL 31 2HG1 VAL 31 2.618 -6.997 -3.640 235 HG13 VAL 31 3HG1 VAL 31 2.322 -6.704 -5.387 236 HG21 VAL 31 3HG2 VAL 31 5.950 -7.038 -6.331 237 HG22 VAL 31 1HG2 VAL 31 4.734 -8.359 -6.370 238 HG23 VAL 31 2HG2 VAL 31 4.308 -6.729 -6.992 239 H ILE 32 H ILE 32 5.915 -4.399 -6.667 240 HA ILE 32 HA ILE 32 8.513 -4.945 -5.620 241 HB ILE 32 HB ILE 32 9.309 -3.819 -7.670 242 HG12 ILE 32 2HG1 ILE 32 6.367 -3.214 -8.229 243 HG13 ILE 32 3HG1 ILE 32 7.531 -2.023 -7.633 244 HG21 ILE 32 1HG2 ILE 32 8.231 -5.298 -9.334 245 HG22 ILE 32 2HG2 ILE 32 8.602 -6.168 -7.808 246 HG23 ILE 32 3HG2 ILE 32 6.918 -5.654 -8.162 247 HD11 ILE 32 3HD1 ILE 32 7.727 -3.540 -10.273 248 HD12 ILE 32 1HD1 ILE 32 7.230 -1.828 -10.060 249 HD13 ILE 32 2HD1 ILE 32 8.909 -2.331 -9.668 250 H LYS 33 H LYS 33 6.201 -2.376 -5.179 251 HA LYS 33 HA LYS 33 8.305 -0.411 -4.639 252 HB2 LYS 33 2HB LYS 33 5.257 -0.249 -4.764 253 HB3 LYS 33 3HB LYS 33 6.299 1.103 -4.300 254 HG2 LYS 33 2HG LYS 33 7.336 1.159 -6.505 255 HG3 LYS 33 3HG LYS 33 6.537 -0.345 -6.981 256 HD2 LYS 33 2HD LYS 33 4.314 0.744 -6.808 257 HD3 LYS 33 3HD LYS 33 5.065 2.238 -6.232 258 HE2 LYS 33 2HE LYS 33 6.290 2.488 -8.369 259 HE3 LYS 33 3HE LYS 33 5.651 0.943 -8.946 260 HZ1 LYS 33 3HZ LYS 33 4.064 3.353 -8.332 261 HZ2 LYS 33 1HZ LYS 33 4.365 2.736 -9.814 262 HZ3 LYS 33 2HZ LYS 33 3.422 1.915 -8.764 263 H VAL 34 H VAL 34 7.492 -2.971 -2.944 264 HA VAL 34 HA VAL 34 6.977 -1.483 -0.465 265 HB VAL 34 HB VAL 34 6.682 -4.466 -1.090 266 HG11 VAL 34 1HG1 VAL 34 5.608 -4.595 1.137 267 HG12 VAL 34 2HG1 VAL 34 7.320 -4.063 1.250 268 HG13 VAL 34 3HG1 VAL 34 5.993 -2.864 1.418 269 HG21 VAL 34 3HG2 VAL 34 4.969 -3.095 -2.197 270 HG22 VAL 34 1HG2 VAL 34 4.256 -4.039 -0.845 271 HG23 VAL 34 2HG2 VAL 34 4.590 -2.287 -0.638 272 H ALA 35 H ALA 35 8.448 -1.639 1.285 273 HA ALA 35 HA ALA 35 11.119 -2.311 0.562 274 HB1 ALA 35 3HB ALA 35 9.832 -1.610 3.246 275 HB2 ALA 35 1HB ALA 35 11.596 -1.672 2.914 276 HB3 ALA 35 2HB ALA 35 10.567 -0.455 2.084 277 H ASN 36 H ASN 36 8.687 -3.801 2.852 278 HA ASN 36 HA ASN 36 10.149 -6.310 2.434 279 HB2 ASN 36 2HB ASN 36 9.168 -5.194 5.088 280 HB3 ASN 36 3HB ASN 36 9.617 -6.886 4.832 281 HD21 ASN 36 1HD2 ASN 36 10.685 -3.768 5.563 282 HD22 ASN 36 2HD2 ASN 36 12.382 -4.110 5.634 283 HA PRO 37 HA PRO 37 5.643 -6.703 1.473 284 HB2 PRO 37 2HB PRO 37 6.070 -8.414 -0.692 285 HB3 PRO 37 3HB PRO 37 6.135 -6.656 -0.873 286 HG2 PRO 37 2HG PRO 37 8.422 -8.620 -0.496 287 HG3 PRO 37 3HG PRO 37 8.292 -7.275 -1.637 288 HD2 PRO 37 2HD PRO 37 9.714 -6.989 0.653 289 HD3 PRO 37 3HD PRO 37 8.759 -5.638 0.027 290 H ASP 38 H ASP 38 8.194 -8.965 2.318 291 HA ASP 38 HA ASP 38 6.498 -11.228 2.554 292 HB2 ASP 38 2HB ASP 38 9.160 -10.405 3.793 293 HB3 ASP 38 3HB ASP 38 8.371 -11.939 4.184 294 H LEU 39 H LEU 39 7.034 -8.325 4.555 295 HA LEU 39 HA LEU 39 5.835 -9.656 6.872 296 HB2 LEU 39 2HB LEU 39 7.092 -6.896 6.479 297 HB3 LEU 39 3HB LEU 39 6.443 -7.504 8.008 298 HG LEU 39 HG LEU 39 8.789 -8.750 6.477 299 HD11 LEU 39 1HD1 LEU 39 10.159 -7.838 8.316 300 HD12 LEU 39 2HD1 LEU 39 9.328 -6.533 7.404 301 HD13 LEU 39 3HD1 LEU 39 8.704 -7.043 9.008 302 HD21 LEU 39 3HD2 LEU 39 7.479 -10.382 7.789 303 HD22 LEU 39 1HD2 LEU 39 9.079 -10.077 8.546 304 HD23 LEU 39 2HD2 LEU 39 7.600 -9.325 9.236 305 H ILE 40 H ILE 40 4.846 -7.860 4.101 306 HA ILE 40 HA ILE 40 2.836 -6.296 5.338 307 HB ILE 40 HB ILE 40 3.239 -7.302 2.479 308 HG12 ILE 40 2HG1 ILE 40 4.934 -5.719 3.280 309 HG13 ILE 40 3HG1 ILE 40 3.914 -4.987 2.034 310 HG21 ILE 40 1HG2 ILE 40 1.518 -5.654 1.819 311 HG22 ILE 40 2HG2 ILE 40 0.844 -6.934 2.883 312 HG23 ILE 40 3HG2 ILE 40 1.195 -5.304 3.550 313 HD11 ILE 40 3HD1 ILE 40 3.644 -4.549 5.042 314 HD12 ILE 40 1HD1 ILE 40 4.357 -3.404 3.855 315 HD13 ILE 40 2HD1 ILE 40 2.608 -3.806 3.776 316 H LYS 41 H LYS 41 0.817 -6.908 6.083 317 HA LYS 41 HA LYS 41 -0.288 -9.411 4.975 318 HB2 LYS 41 2HB LYS 41 -0.649 -8.215 7.765 319 HB3 LYS 41 3HB LYS 41 -1.484 -9.647 7.148 320 HG2 LYS 41 2HG LYS 41 1.557 -9.438 7.391 321 HG3 LYS 41 3HG LYS 41 0.514 -10.107 8.652 322 HD2 LYS 41 2HD LYS 41 -0.382 -11.771 6.962 323 HD3 LYS 41 3HD LYS 41 0.776 -11.145 5.781 324 HE2 LYS 41 2HE LYS 41 2.662 -11.739 7.315 325 HE3 LYS 41 3HE LYS 41 1.505 -12.364 8.498 326 HZ1 LYS 41 3HZ LYS 41 1.872 -13.409 5.762 327 HZ2 LYS 41 1HZ LYS 41 2.407 -14.113 7.135 328 HZ3 LYS 41 2HZ LYS 41 0.804 -13.985 6.854 329 H LYS 42 H LYS 42 -2.811 -9.426 5.215 330 HA LYS 42 HA LYS 42 -3.862 -7.373 3.696 331 HB2 LYS 42 2HB LYS 42 -5.178 -9.313 5.654 332 HB3 LYS 42 3HB LYS 42 -6.085 -8.259 4.561 333 HG2 LYS 42 2HG LYS 42 -4.973 -9.348 2.601 334 HG3 LYS 42 3HG LYS 42 -4.089 -10.413 3.702 335 HD2 LYS 42 2HD LYS 42 -6.279 -11.276 4.596 336 HD3 LYS 42 3HD LYS 42 -7.140 -10.242 3.448 337 HE2 LYS 42 2HE LYS 42 -6.009 -11.405 1.545 338 HE3 LYS 42 3HE LYS 42 -5.133 -12.432 2.689 339 HZ1 LYS 42 3HZ LYS 42 -8.069 -12.333 2.395 340 HZ2 LYS 42 1HZ LYS 42 -7.092 -13.520 1.844 341 HZ3 LYS 42 2HZ LYS 42 -7.260 -13.281 3.450 342 H ASP 43 H ASP 43 -4.658 -7.928 7.234 343 HA ASP 43 HA ASP 43 -5.693 -5.229 7.330 344 HB2 ASP 43 2HB ASP 43 -5.515 -7.538 9.318 345 HB3 ASP 43 3HB ASP 43 -6.148 -5.946 9.756 346 H ALA 44 H ALA 44 -2.713 -6.969 8.260 347 HA ALA 44 HA ALA 44 -2.067 -4.913 10.227 348 HB1 ALA 44 3HB ALA 44 -0.680 -7.514 9.412 349 HB2 ALA 44 1HB ALA 44 -0.175 -6.434 10.755 350 HB3 ALA 44 2HB ALA 44 -1.757 -7.281 10.830 351 H ALA 45 H ALA 45 -2.060 -4.576 7.093 352 HA ALA 45 HA ALA 45 0.645 -4.380 6.318 353 HB1 ALA 45 3HB ALA 45 -1.863 -2.957 5.301 354 HB2 ALA 45 1HB ALA 45 -0.282 -3.031 4.452 355 HB3 ALA 45 2HB ALA 45 -1.226 -4.534 4.726 356 H VAL 46 H VAL 46 1.693 -2.216 5.628 357 HA VAL 46 HA VAL 46 1.345 -0.395 7.911 358 HB VAL 46 HB VAL 46 3.784 0.067 7.705 359 HG11 VAL 46 1HG1 VAL 46 4.589 -2.095 8.600 360 HG12 VAL 46 2HG1 VAL 46 2.997 -1.636 9.293 361 HG13 VAL 46 3HG1 VAL 46 3.090 -2.891 8.012 362 HG21 VAL 46 3HG2 VAL 46 4.058 -0.445 5.318 363 HG22 VAL 46 1HG2 VAL 46 5.200 -1.409 6.313 364 HG23 VAL 46 2HG2 VAL 46 3.724 -2.180 5.638 365 H THR 47 H THR 47 2.467 1.875 7.369 366 HA THR 47 HA THR 47 1.033 2.753 5.024 367 HB THR 47 HB THR 47 0.939 3.925 7.281 368 HG1 THR 47 HG1 THR 47 0.699 5.869 6.253 369 HG21 THR 47 3HG2 THR 47 3.770 4.769 6.485 370 HG22 THR 47 1HG2 THR 47 2.818 5.438 7.854 371 HG23 THR 47 2HG2 THR 47 3.328 3.716 7.872 372 H PHE 48 H PHE 48 2.507 5.018 4.183 373 HA PHE 48 HA PHE 48 4.998 3.971 3.162 374 HB2 PHE 48 2HB PHE 48 4.174 3.944 0.806 375 HB3 PHE 48 3HB PHE 48 3.479 2.662 1.807 376 HD1 PHE 48 HD1 PHE 48 1.115 2.851 2.615 377 HD2 PHE 48 HD2 PHE 48 2.802 5.649 -0.174 378 HE1 PHE 48 HE1 PHE 48 -1.160 3.588 1.980 379 HE2 PHE 48 HE2 PHE 48 0.526 6.394 -0.800 380 HZ PHE 48 HZ PHE 48 -1.459 5.363 0.271 381 H GLU 49 H GLU 49 5.863 5.529 1.376 382 HA GLU 49 HA GLU 49 5.550 8.204 2.304 383 HB2 GLU 49 2HB GLU 49 6.990 6.906 -0.049 384 HB3 GLU 49 3HB GLU 49 7.001 8.653 0.223 385 HG2 GLU 49 2HG GLU 49 7.989 8.235 2.517 386 HG3 GLU 49 3HG GLU 49 8.081 6.514 2.122 387 HA PRO 50 HA PRO 50 2.032 9.307 -0.065 388 HB2 PRO 50 2HB PRO 50 2.385 12.090 0.039 389 HB3 PRO 50 3HB PRO 50 1.791 11.162 1.423 390 HG2 PRO 50 2HG PRO 50 4.614 12.106 0.828 391 HG3 PRO 50 3HG PRO 50 3.722 12.162 2.354 392 HD2 PRO 50 2HD PRO 50 5.552 10.216 1.934 393 HD3 PRO 50 3HD PRO 50 4.050 9.839 2.789 394 H THR 51 H THR 51 1.396 9.580 -2.128 395 HA THR 51 HA THR 51 3.016 11.135 -3.901 396 HB THR 51 HB THR 51 4.279 8.995 -3.911 397 HG1 THR 51 HG1 THR 51 4.099 8.649 -6.245 398 HG21 THR 51 3HG2 THR 51 1.634 7.789 -4.862 399 HG22 THR 51 1HG2 THR 51 3.218 6.943 -4.809 400 HG23 THR 51 2HG2 THR 51 2.434 7.480 -3.284 401 H THR 52 H THR 52 1.952 11.364 -6.076 402 HA THR 52 HA THR 52 -0.754 10.331 -6.200 403 HB THR 52 HB THR 52 -0.999 12.424 -4.898 404 HG1 THR 52 HG1 THR 52 -2.486 13.467 -6.411 405 HG21 THR 52 3HG2 THR 52 0.309 13.745 -7.326 406 HG22 THR 52 1HG2 THR 52 -0.430 14.603 -5.932 407 HG23 THR 52 2HG2 THR 52 1.030 13.586 -5.689 408 H ASN 53 H ASN 53 -1.539 10.209 -8.367 409 HA ASN 53 HA ASN 53 0.288 11.321 -10.395 410 HB2 ASN 53 2HB ASN 53 -1.364 8.771 -10.556 411 HB3 ASN 53 3HB ASN 53 -0.348 9.441 -11.840 412 HD21 ASN 53 1HD2 ASN 53 -0.503 7.235 -9.408 413 HD22 ASN 53 2HD2 ASN 53 1.188 6.909 -9.227 414 H ASN 54 H ASN 54 -0.833 11.788 -12.545 415 HA ASN 54 HA ASN 54 -3.323 13.114 -12.098 416 HB2 ASN 54 2HB ASN 54 -1.639 12.568 -14.565 417 HB3 ASN 54 3HB ASN 54 -3.190 13.416 -14.629 418 HD21 ASN 54 1HD2 ASN 54 -0.765 14.509 -15.440 419 HD22 ASN 54 2HD2 ASN 54 -0.452 15.889 -14.442 420 H LYS 55 H LYS 55 -2.388 9.838 -12.947 421 HA LYS 55 HA LYS 55 -4.936 9.306 -14.256 422 HB2 LYS 55 2HB LYS 55 -2.525 7.563 -13.563 423 HB3 LYS 55 3HB LYS 55 -3.978 6.973 -14.379 424 HG2 LYS 55 2HG LYS 55 -3.565 8.536 -16.271 425 HG3 LYS 55 3HG LYS 55 -2.128 9.162 -15.451 426 HD2 LYS 55 2HD LYS 55 -1.105 6.880 -15.491 427 HD3 LYS 55 3HD LYS 55 -2.545 6.244 -16.296 428 HE2 LYS 55 2HE LYS 55 -2.162 7.820 -18.210 429 HE3 LYS 55 3HE LYS 55 -0.711 8.435 -17.407 430 HZ1 LYS 55 3HZ LYS 55 -1.124 5.644 -18.271 431 HZ2 LYS 55 1HZ LYS 55 -0.182 6.748 -19.020 432 HZ3 LYS 55 2HZ LYS 55 0.216 6.211 -17.530 433 H GLY 56 H GLY 56 -3.704 9.491 -11.023 434 HA2 GLY 56 2HA GLY 56 -5.913 9.077 -9.666 435 HA3 GLY 56 3HA GLY 56 -5.515 7.400 -10.062 436 H LEU 57 H LEU 57 -5.616 8.025 -7.380 437 HA LEU 57 HA LEU 57 -3.018 8.804 -6.421 438 HB2 LEU 57 2HB LEU 57 -5.468 7.566 -5.073 439 HB3 LEU 57 3HB LEU 57 -4.018 8.104 -4.214 440 HG LEU 57 HG LEU 57 -5.845 9.917 -5.875 441 HD11 LEU 57 1HD1 LEU 57 -6.551 10.813 -3.687 442 HD12 LEU 57 2HD1 LEU 57 -6.953 9.070 -3.847 443 HD13 LEU 57 3HD1 LEU 57 -5.545 9.579 -2.855 444 HD21 LEU 57 3HD2 LEU 57 -3.492 10.660 -5.818 445 HD22 LEU 57 1HD2 LEU 57 -4.535 11.736 -4.827 446 HD23 LEU 57 2HD2 LEU 57 -3.485 10.518 -4.027 447 H SER 58 H SER 58 -1.399 7.474 -5.482 448 HA SER 58 HA SER 58 -1.756 4.584 -5.838 449 HB2 SER 58 2HB SER 58 0.311 4.415 -7.103 450 HB3 SER 58 3HB SER 58 -0.818 5.475 -7.958 451 HG SER 58 HG SER 58 1.637 6.049 -7.401 452 H ALA 59 H ALA 59 0.312 3.409 -4.947 453 HA ALA 59 HA ALA 59 1.253 4.924 -2.592 454 HB1 ALA 59 3HB ALA 59 0.502 1.969 -2.827 455 HB2 ALA 59 1HB ALA 59 1.215 2.758 -1.379 456 HB3 ALA 59 2HB ALA 59 -0.420 3.235 -1.949 457 H TYR 60 H TYR 60 3.450 4.685 -2.005 458 HA TYR 60 HA TYR 60 5.102 2.940 -3.644 459 HB2 TYR 60 2HB TYR 60 4.910 4.898 -5.083 460 HB3 TYR 60 3HB TYR 60 5.224 5.992 -3.730 461 HD1 TYR 60 HD1 TYR 60 6.817 3.175 -5.651 462 HD2 TYR 60 HD2 TYR 60 7.414 6.724 -3.312 463 HE1 TYR 60 HE1 TYR 60 9.241 3.091 -6.149 464 HE2 TYR 60 HE2 TYR 60 9.836 6.649 -3.809 465 HH TYR 60 HH TYR 60 11.479 5.592 -4.837 466 H ALA 61 H ALA 61 7.194 2.565 -2.715 467 HA ALA 61 HA ALA 61 8.597 2.271 -1.023 468 HB1 ALA 61 3HB ALA 61 7.855 5.177 -0.420 469 HB2 ALA 61 1HB ALA 61 9.271 4.297 0.247 470 HB3 ALA 61 2HB ALA 61 9.162 4.617 -1.516 471 H VAL 62 H VAL 62 6.439 0.902 -0.354 472 HA VAL 62 HA VAL 62 5.235 1.799 2.058 473 HB VAL 62 HB VAL 62 5.440 -0.986 0.803 474 HG11 VAL 62 1HG1 VAL 62 3.499 -1.543 2.237 475 HG12 VAL 62 2HG1 VAL 62 4.946 -1.107 3.208 476 HG13 VAL 62 3HG1 VAL 62 3.610 0.076 3.007 477 HG21 VAL 62 3HG2 VAL 62 4.312 0.648 -0.649 478 HG22 VAL 62 1HG2 VAL 62 3.134 -0.533 0.018 479 HG23 VAL 62 2HG2 VAL 62 3.232 1.124 0.705 480 H LYS 63 H LYS 63 6.030 1.652 4.156 481 HA LYS 63 HA LYS 63 8.631 0.273 4.371 482 HB2 LYS 63 2HB LYS 63 7.611 2.858 5.642 483 HB3 LYS 63 3HB LYS 63 9.129 2.064 6.080 484 HG2 LYS 63 2HG LYS 63 9.939 2.342 3.724 485 HG3 LYS 63 3HG LYS 63 8.431 3.170 3.315 486 HD2 LYS 63 2HD LYS 63 8.937 4.871 5.134 487 HD3 LYS 63 3HD LYS 63 10.499 4.080 5.384 488 HE2 LYS 63 2HE LYS 63 11.112 4.513 3.004 489 HE3 LYS 63 3HE LYS 63 9.541 5.278 2.730 490 HZ1 LYS 63 3HZ LYS 63 11.827 6.280 4.210 491 HZ2 LYS 63 1HZ LYS 63 10.793 7.073 3.227 492 HZ3 LYS 63 2HZ LYS 63 10.349 6.710 4.756 493 H VAL 64 H VAL 64 8.694 -1.396 5.819 494 HA VAL 64 HA VAL 64 6.474 -1.614 7.680 495 HB VAL 64 HB VAL 64 8.740 -3.545 6.961 496 HG11 VAL 64 1HG1 VAL 64 7.400 -5.236 8.174 497 HG12 VAL 64 2HG1 VAL 64 7.934 -3.904 9.255 498 HG13 VAL 64 3HG1 VAL 64 6.239 -3.956 8.665 499 HG21 VAL 64 3HG2 VAL 64 7.173 -3.157 5.106 500 HG22 VAL 64 1HG2 VAL 64 6.962 -4.805 5.787 501 HG23 VAL 64 2HG2 VAL 64 5.785 -3.510 6.189 502 H VAL 65 H VAL 65 6.667 -1.045 9.830 503 HA VAL 65 HA VAL 65 9.350 -0.470 10.801 504 HB VAL 65 HB VAL 65 6.571 0.077 11.969 505 HG11 VAL 65 1HG1 VAL 65 7.761 1.487 13.620 506 HG12 VAL 65 2HG1 VAL 65 8.237 -0.240 13.749 507 HG13 VAL 65 3HG1 VAL 65 9.333 0.936 12.949 508 HG21 VAL 65 3HG2 VAL 65 7.083 1.413 9.969 509 HG22 VAL 65 1HG2 VAL 65 7.096 2.438 11.443 510 HG23 VAL 65 2HG2 VAL 65 8.645 1.922 10.694 511 HA PRO 66 HA PRO 66 9.378 -4.337 13.070 512 HB2 PRO 66 2HB PRO 66 11.619 -3.735 14.610 513 HB3 PRO 66 3HB PRO 66 11.771 -4.205 12.912 514 HG2 PRO 66 2HG PRO 66 11.754 -1.420 14.126 515 HG3 PRO 66 3HG PRO 66 12.842 -2.090 12.903 516 HD2 PRO 66 2HD PRO 66 10.758 -0.507 12.176 517 HD3 PRO 66 3HD PRO 66 11.239 -1.873 11.162 518 H LEU 67 H LEU 67 8.023 -4.891 14.622 519 HA LEU 67 HA LEU 67 7.373 -2.810 16.581 520 HB2 LEU 67 2HB LEU 67 5.998 -5.435 15.828 521 HB3 LEU 67 3HB LEU 67 5.396 -4.272 17.017 522 HG LEU 67 HG LEU 67 5.762 -3.720 14.023 523 HD11 LEU 67 1HD1 LEU 67 3.296 -3.687 13.987 524 HD12 LEU 67 2HD1 LEU 67 3.927 -5.287 14.506 525 HD13 LEU 67 3HD1 LEU 67 3.262 -4.146 15.723 526 HD21 LEU 67 3HD2 LEU 67 6.121 -1.722 15.427 527 HD22 LEU 67 1HD2 LEU 67 4.570 -1.613 14.529 528 HD23 LEU 67 2HD2 LEU 67 4.569 -2.032 16.275 529 H GLU 68 H GLU 68 9.294 -5.690 16.293 530 HA GLU 68 HA GLU 68 9.319 -5.887 19.238 531 HB2 GLU 68 2HB GLU 68 9.513 -8.123 17.165 532 HB3 GLU 68 3HB GLU 68 9.851 -8.323 18.889 533 HG2 GLU 68 2HG GLU 68 7.497 -7.652 19.416 534 HG3 GLU 68 3HG GLU 68 7.165 -7.486 17.687 535 H HIS 69 H HIS 69 11.384 -6.149 20.210 536 HA HIS 69 HA HIS 69 13.664 -6.125 18.362 537 HB2 HIS 69 2HB HIS 69 13.190 -4.164 20.665 538 HB3 HIS 69 3HB HIS 69 14.706 -4.328 19.768 539 HD2 HIS 69 HD2 HIS 69 11.289 -2.534 19.468 540 HE1 HIS 69 HE1 HIS 69 13.379 -1.934 15.781 541 H HIS 70 H HIS 70 15.666 -6.917 19.320 542 HA HIS 70 HA HIS 70 15.135 -8.575 21.685 543 HB2 HIS 70 2HB HIS 70 15.900 -9.675 19.563 544 HB3 HIS 70 3HB HIS 70 17.375 -8.699 19.604 545 HD2 HIS 70 HD2 HIS 70 15.841 -11.851 21.361 546 HE1 HIS 70 HE1 HIS 70 19.815 -11.276 22.846 547 H HIS 71 H HIS 71 16.538 -8.536 23.519 548 HA HIS 71 HA HIS 71 18.834 -6.785 23.472 549 HB2 HIS 71 2HB HIS 71 18.076 -5.365 25.315 550 HB3 HIS 71 3HB HIS 71 17.007 -5.179 23.919 551 HD2 HIS 71 HD2 HIS 71 16.842 -6.276 27.644 552 HE1 HIS 71 HE1 HIS 71 12.961 -6.865 25.937 553 H HIS 72 H HIS 72 19.990 -6.871 25.686 554 HA HIS 72 HA HIS 72 19.196 -8.991 27.449 555 HB2 HIS 72 2HB HIS 72 20.248 -10.219 25.499 556 HB3 HIS 72 3HB HIS 72 21.747 -9.329 25.798 557 HD2 HIS 72 HD2 HIS 72 19.829 -12.422 27.148 558 HE1 HIS 72 HE1 HIS 72 23.247 -11.821 29.655 559 H HIS 73 H HIS 73 20.247 -8.808 29.480 560 HA HIS 73 HA HIS 73 22.677 -7.379 29.784 561 HB2 HIS 73 2HB HIS 73 21.820 -5.436 31.011 562 HB3 HIS 73 3HB HIS 73 21.238 -5.428 29.341 563 HD2 HIS 73 HD2 HIS 73 18.446 -5.661 29.037 564 HE1 HIS 73 HE1 HIS 73 17.559 -5.735 33.224 565 H HIS 74 H HIS 74 23.265 -7.182 32.165 566 HA HIS 74 HA HIS 74 21.915 -9.342 33.633 567 HB2 HIS 74 2HB HIS 74 24.689 -8.091 33.947 568 HB3 HIS 74 3HB HIS 74 24.028 -9.360 34.987 569 HD2 HIS 74 HD2 HIS 74 25.769 -8.979 31.535 570 HE1 HIS 74 HE1 HIS 74 24.695 -13.095 32.001 Start of MODEL 16 1 H1 MET 1 1H MET 1 5.028 9.174 16.514 2 H2 MET 1 2H MET 1 3.986 8.064 15.924 3 H3 MET 1 3H MET 1 5.369 7.583 16.646 4 HA MET 1 HA MET 1 5.295 9.215 14.235 5 HB2 MET 1 2HB MET 1 7.480 7.556 15.580 6 HB3 MET 1 3HB MET 1 7.645 8.352 14.009 7 HG2 MET 1 2HG MET 1 7.193 9.722 16.701 8 HG3 MET 1 3HG MET 1 8.702 9.681 15.779 9 HE1 MET 1 3HE MET 1 7.762 10.282 12.680 10 HE2 MET 1 1HE MET 1 8.124 12.037 12.804 11 HE3 MET 1 2HE MET 1 9.173 10.842 13.638 12 H ALA 2 H ALA 2 5.033 5.916 15.616 13 HA ALA 2 HA ALA 2 5.391 4.579 13.127 14 HB1 ALA 2 3HB ALA 2 4.030 3.739 15.734 15 HB2 ALA 2 1HB ALA 2 4.464 2.645 14.378 16 HB3 ALA 2 2HB ALA 2 5.755 3.483 15.303 17 H MET 3 H MET 3 3.820 3.665 11.708 18 HA MET 3 HA MET 3 1.040 4.472 12.166 19 HB2 MET 3 2HB MET 3 2.728 5.172 9.720 20 HB3 MET 3 3HB MET 3 0.961 5.252 9.758 21 HG2 MET 3 2HG MET 3 1.057 6.946 11.563 22 HG3 MET 3 3HG MET 3 2.823 6.842 11.586 23 HE1 MET 3 3HE MET 3 3.753 7.181 8.198 24 HE2 MET 3 1HE MET 3 4.153 8.798 8.869 25 HE3 MET 3 2HE MET 3 4.313 7.334 9.897 26 H ASN 4 H ASN 4 -0.504 3.137 11.051 27 HA ASN 4 HA ASN 4 0.717 0.810 9.720 28 HB2 ASN 4 2HB ASN 4 -1.135 -0.538 10.604 29 HB3 ASN 4 3HB ASN 4 -0.121 0.136 11.887 30 HD21 ASN 4 1HD2 ASN 4 -1.250 0.706 13.563 31 HD22 ASN 4 2HD2 ASN 4 -2.776 1.525 13.555 32 H GLY 5 H GLY 5 -1.098 -0.400 8.332 33 HA2 GLY 5 2HA GLY 5 -3.050 1.485 7.247 34 HA3 GLY 5 3HA GLY 5 -1.774 0.933 6.154 35 H THR 6 H THR 6 -4.246 0.281 5.294 36 HA THR 6 HA THR 6 -4.466 -2.555 6.009 37 HB THR 6 HB THR 6 -6.763 -0.579 5.559 38 HG1 THR 6 HG1 THR 6 -7.264 -1.209 7.781 39 HG21 THR 6 3HG2 THR 6 -6.796 -3.589 6.096 40 HG22 THR 6 1HG2 THR 6 -8.235 -2.517 6.023 41 HG23 THR 6 2HG2 THR 6 -7.237 -2.782 4.553 42 H ILE 7 H ILE 7 -4.422 -3.909 4.217 43 HA ILE 7 HA ILE 7 -4.749 -2.672 1.606 44 HB ILE 7 HB ILE 7 -3.925 -5.485 2.491 45 HG12 ILE 7 2HG1 ILE 7 -2.317 -3.279 1.119 46 HG13 ILE 7 3HG1 ILE 7 -2.319 -3.553 2.866 47 HG21 ILE 7 1HG2 ILE 7 -3.385 -5.882 0.111 48 HG22 ILE 7 2HG2 ILE 7 -5.138 -5.581 0.357 49 HG23 ILE 7 3HG2 ILE 7 -4.090 -4.285 -0.312 50 HD11 ILE 7 3HD1 ILE 7 -1.437 -5.565 0.747 51 HD12 ILE 7 1HD1 ILE 7 -0.363 -4.593 1.810 52 HD13 ILE 7 2HD1 ILE 7 -1.438 -5.843 2.522 53 H THR 8 H THR 8 -6.584 -2.928 0.326 54 HA THR 8 HA THR 8 -8.801 -4.255 1.631 55 HB THR 8 HB THR 8 -10.166 -3.153 -0.131 56 HG1 THR 8 HG1 THR 8 -9.042 -1.685 -1.601 57 HG21 THR 8 3HG2 THR 8 -8.119 -1.295 1.177 58 HG22 THR 8 1HG2 THR 8 -9.719 -0.806 0.524 59 HG23 THR 8 2HG2 THR 8 -9.625 -1.914 1.935 60 H THR 9 H THR 9 -7.105 -4.311 -1.622 61 HA THR 9 HA THR 9 -7.803 -7.150 -1.690 62 HB THR 9 HB THR 9 -8.181 -7.007 -4.137 63 HG1 THR 9 HG1 THR 9 -8.433 -4.849 -5.069 64 HG21 THR 9 3HG2 THR 9 -9.920 -5.072 -2.528 65 HG22 THR 9 1HG2 THR 9 -10.373 -5.853 -4.081 66 HG23 THR 9 2HG2 THR 9 -10.118 -6.855 -2.613 67 H TRP 10 H TRP 10 -6.203 -8.499 -2.758 68 HA TRP 10 HA TRP 10 -3.837 -7.189 -3.814 69 HB2 TRP 10 2HB TRP 10 -3.431 -7.235 -1.361 70 HB3 TRP 10 3HB TRP 10 -3.759 -8.972 -1.329 71 HD1 TRP 10 HD1 TRP 10 -1.195 -6.488 -2.932 72 HE1 TRP 10 HE1 TRP 10 1.060 -7.727 -3.199 73 HE3 TRP 10 HE3 TRP 10 -2.657 -11.159 -1.369 74 HZ2 TRP 10 HZ2 TRP 10 2.085 -10.315 -2.802 75 HZ3 TRP 10 HZ3 TRP 10 -0.967 -12.987 -1.336 76 HH2 TRP 10 HH2 TRP 10 1.345 -12.582 -2.031 77 H PHE 11 H PHE 11 -3.171 -8.354 -5.578 78 HA PHE 11 HA PHE 11 -3.986 -11.192 -5.648 79 HB2 PHE 11 2HB PHE 11 -3.746 -9.177 -7.938 80 HB3 PHE 11 3HB PHE 11 -4.137 -10.893 -8.116 81 HD1 PHE 11 HD1 PHE 11 -5.367 -7.610 -6.940 82 HD2 PHE 11 HD2 PHE 11 -6.334 -11.753 -7.536 83 HE1 PHE 11 HE1 PHE 11 -7.772 -7.094 -6.637 84 HE2 PHE 11 HE2 PHE 11 -8.736 -11.237 -7.234 85 HZ PHE 11 HZ PHE 11 -9.458 -8.905 -6.785 86 H LYS 12 H LYS 12 -2.165 -12.425 -5.305 87 HA LYS 12 HA LYS 12 0.426 -11.386 -5.595 88 HB2 LYS 12 2HB LYS 12 -0.244 -13.234 -4.061 89 HB3 LYS 12 3HB LYS 12 -0.561 -14.277 -5.454 90 HG2 LYS 12 2HG LYS 12 1.834 -14.162 -6.106 91 HG3 LYS 12 3HG LYS 12 2.164 -13.079 -4.747 92 HD2 LYS 12 2HD LYS 12 1.430 -14.842 -3.144 93 HD3 LYS 12 3HD LYS 12 1.051 -15.924 -4.490 94 HE2 LYS 12 2HE LYS 12 3.457 -15.809 -5.228 95 HE3 LYS 12 3HE LYS 12 3.818 -14.785 -3.831 96 HZ1 LYS 12 3HZ LYS 12 2.773 -17.541 -3.695 97 HZ2 LYS 12 1HZ LYS 12 4.311 -17.086 -3.393 98 HZ3 LYS 12 2HZ LYS 12 3.106 -16.596 -2.406 99 H ASP 13 H ASP 13 -1.518 -13.639 -7.717 100 HA ASP 13 HA ASP 13 0.710 -14.152 -9.406 101 HB2 ASP 13 2HB ASP 13 -2.294 -14.629 -9.614 102 HB3 ASP 13 3HB ASP 13 -1.174 -15.086 -10.903 103 H LYS 14 H LYS 14 -1.790 -11.614 -9.288 104 HA LYS 14 HA LYS 14 -1.244 -10.912 -12.080 105 HB2 LYS 14 2HB LYS 14 -3.315 -9.915 -10.067 106 HB3 LYS 14 3HB LYS 14 -3.166 -9.342 -11.733 107 HG2 LYS 14 2HG LYS 14 -3.614 -11.685 -12.545 108 HG3 LYS 14 3HG LYS 14 -3.841 -12.198 -10.868 109 HD2 LYS 14 2HD LYS 14 -5.709 -10.566 -10.606 110 HD3 LYS 14 3HD LYS 14 -5.469 -10.008 -12.267 111 HE2 LYS 14 2HE LYS 14 -5.950 -12.326 -13.103 112 HE3 LYS 14 3HE LYS 14 -6.220 -12.862 -11.440 113 HZ1 LYS 14 3HZ LYS 14 -7.782 -10.781 -12.830 114 HZ2 LYS 14 1HZ LYS 14 -8.275 -12.309 -12.535 115 HZ3 LYS 14 2HZ LYS 14 -8.031 -11.276 -11.294 116 H GLY 15 H GLY 15 -0.389 -10.000 -8.777 117 HA2 GLY 15 2HA GLY 15 1.241 -8.565 -8.163 118 HA3 GLY 15 3HA GLY 15 1.475 -8.115 -9.857 119 H PHE 16 H PHE 16 -1.596 -7.884 -7.904 120 HA PHE 16 HA PHE 16 -1.314 -4.953 -8.098 121 HB2 PHE 16 2HB PHE 16 -3.802 -6.720 -8.268 122 HB3 PHE 16 3HB PHE 16 -3.853 -4.964 -8.066 123 HD1 PHE 16 HD1 PHE 16 -3.181 -3.463 -9.892 124 HD2 PHE 16 HD2 PHE 16 -3.132 -7.731 -10.384 125 HE1 PHE 16 HE1 PHE 16 -3.037 -3.179 -12.346 126 HE2 PHE 16 HE2 PHE 16 -2.982 -7.445 -12.840 127 HZ PHE 16 HZ PHE 16 -2.933 -5.169 -13.825 128 H GLY 17 H GLY 17 -1.694 -3.741 -6.192 129 HA2 GLY 17 2HA GLY 17 -3.223 -5.089 -4.093 130 HA3 GLY 17 3HA GLY 17 -1.604 -4.514 -3.675 131 H PHE 18 H PHE 18 -4.328 -3.605 -2.689 132 HA PHE 18 HA PHE 18 -4.007 -0.766 -3.402 133 HB2 PHE 18 2HB PHE 18 -6.607 -2.363 -3.201 134 HB3 PHE 18 3HB PHE 18 -6.525 -0.597 -3.263 135 HD1 PHE 18 HD1 PHE 18 -5.956 -3.724 -5.173 136 HD2 PHE 18 HD2 PHE 18 -6.050 0.569 -5.324 137 HE1 PHE 18 HE1 PHE 18 -5.937 -3.808 -7.647 138 HE2 PHE 18 HE2 PHE 18 -6.037 0.481 -7.798 139 HZ PHE 18 HZ PHE 18 -5.979 -1.708 -8.963 140 H ILE 19 H ILE 19 -4.389 0.713 -1.683 141 HA ILE 19 HA ILE 19 -4.728 -0.609 0.919 142 HB ILE 19 HB ILE 19 -2.795 1.632 0.133 143 HG12 ILE 19 2HG1 ILE 19 -2.257 -1.131 1.314 144 HG13 ILE 19 3HG1 ILE 19 -2.175 -0.766 -0.415 145 HG21 ILE 19 1HG2 ILE 19 -2.087 1.606 2.501 146 HG22 ILE 19 2HG2 ILE 19 -3.806 2.097 2.322 147 HG23 ILE 19 3HG2 ILE 19 -3.399 0.438 2.876 148 HD11 ILE 19 3HD1 ILE 19 -0.476 0.532 1.764 149 HD12 ILE 19 1HD1 ILE 19 0.058 -0.731 0.604 150 HD13 ILE 19 2HD1 ILE 19 -0.393 0.902 0.008 151 H LYS 20 H LYS 20 -6.136 0.411 2.379 152 HA LYS 20 HA LYS 20 -7.367 2.904 1.424 153 HB2 LYS 20 2HB LYS 20 -8.836 0.937 1.887 154 HB3 LYS 20 3HB LYS 20 -8.247 0.895 3.554 155 HG2 LYS 20 2HG LYS 20 -9.177 3.193 3.925 156 HG3 LYS 20 3HG LYS 20 -9.794 3.201 2.268 157 HD2 LYS 20 2HD LYS 20 -11.169 1.167 2.773 158 HD3 LYS 20 3HD LYS 20 -10.555 1.165 4.431 159 HE2 LYS 20 2HE LYS 20 -11.525 3.441 4.797 160 HE3 LYS 20 3HE LYS 20 -12.131 3.453 3.135 161 HZ1 LYS 20 3HZ LYS 20 -12.921 1.520 5.219 162 HZ2 LYS 20 1HZ LYS 20 -13.821 2.774 4.686 163 HZ3 LYS 20 2HZ LYS 20 -13.480 1.531 3.684 164 H ASP 21 H ASP 21 -6.838 4.820 2.400 165 HA ASP 21 HA ASP 21 -4.968 4.665 4.612 166 HB2 ASP 21 2HB ASP 21 -4.864 6.158 2.455 167 HB3 ASP 21 3HB ASP 21 -6.034 7.185 3.296 168 H GLU 22 H GLU 22 -5.221 6.331 6.464 169 HA GLU 22 HA GLU 22 -7.689 6.068 7.768 170 HB2 GLU 22 2HB GLU 22 -5.355 8.010 8.076 171 HB3 GLU 22 3HB GLU 22 -6.751 8.006 9.163 172 HG2 GLU 22 2HG GLU 22 -6.261 5.677 9.834 173 HG3 GLU 22 3HG GLU 22 -4.915 5.605 8.688 174 H ASN 23 H ASN 23 -6.641 8.252 5.191 175 HA ASN 23 HA ASN 23 -8.765 10.136 5.728 176 HB2 ASN 23 2HB ASN 23 -6.772 9.787 3.465 177 HB3 ASN 23 3HB ASN 23 -8.056 11.003 3.439 178 HD21 ASN 23 1HD2 ASN 23 -5.315 11.543 3.329 179 HD22 ASN 23 2HD2 ASN 23 -4.927 12.519 4.706 180 H GLY 24 H GLY 24 -8.474 6.998 4.219 181 HA2 GLY 24 2HA GLY 24 -10.393 5.804 3.710 182 HA3 GLY 24 3HA GLY 24 -11.268 7.310 3.403 183 H ASP 25 H ASP 25 -8.201 7.555 1.896 184 HA ASP 25 HA ASP 25 -9.416 7.171 -0.693 185 HB2 ASP 25 2HB ASP 25 -6.670 8.059 0.293 186 HB3 ASP 25 3HB ASP 25 -7.032 7.827 -1.423 187 H ASN 26 H ASN 26 -9.064 5.484 -2.144 188 HA ASN 26 HA ASN 26 -7.460 3.263 -1.117 189 HB2 ASN 26 2HB ASN 26 -9.479 3.462 -3.385 190 HB3 ASN 26 3HB ASN 26 -8.543 2.010 -3.006 191 HD21 ASN 26 1HD2 ASN 26 -11.437 3.434 -2.635 192 HD22 ASN 26 2HD2 ASN 26 -11.999 2.583 -1.235 193 H ARG 27 H ARG 27 -5.343 3.145 -1.776 194 HA ARG 27 HA ARG 27 -4.717 4.446 -4.344 195 HB2 ARG 27 2HB ARG 27 -2.981 4.279 -1.869 196 HB3 ARG 27 3HB ARG 27 -2.529 4.993 -3.422 197 HG2 ARG 27 2HG ARG 27 -4.573 6.553 -3.103 198 HG3 ARG 27 3HG ARG 27 -4.600 5.979 -1.431 199 HD2 ARG 27 2HD ARG 27 -2.271 6.736 -1.148 200 HD3 ARG 27 3HD ARG 27 -2.276 7.339 -2.811 201 HE ARG 27 HE ARG 27 -3.698 9.104 -2.164 202 HH11 ARG 27 1HH1 ARG 27 -3.042 6.976 0.555 203 HH12 ARG 27 2HH1 ARG 27 -3.540 8.142 1.735 204 HH21 ARG 27 1HH2 ARG 27 -4.346 10.582 -0.641 205 HH22 ARG 27 2HH2 ARG 27 -4.290 10.212 1.050 206 H TYR 28 H TYR 28 -3.188 3.423 -5.741 207 HA TYR 28 HA TYR 28 -2.882 0.567 -5.189 208 HB2 TYR 28 2HB TYR 28 -3.833 1.221 -7.352 209 HB3 TYR 28 3HB TYR 28 -2.466 2.296 -7.675 210 HD1 TYR 28 HD1 TYR 28 -3.311 -1.315 -7.065 211 HD2 TYR 28 HD2 TYR 28 -0.562 1.486 -8.804 212 HE1 TYR 28 HE1 TYR 28 -2.106 -3.181 -8.158 213 HE2 TYR 28 HE2 TYR 28 0.646 -0.375 -9.901 214 HH TYR 28 HH TYR 28 -0.655 -3.557 -10.095 215 H PHE 29 H PHE 29 -0.874 -0.476 -4.991 216 HA PHE 29 HA PHE 29 1.492 1.271 -5.112 217 HB2 PHE 29 2HB PHE 29 2.306 0.402 -3.028 218 HB3 PHE 29 3HB PHE 29 0.669 1.009 -2.745 219 HD1 PHE 29 HD1 PHE 29 -1.203 -0.548 -2.349 220 HD2 PHE 29 HD2 PHE 29 2.812 -1.973 -2.901 221 HE1 PHE 29 HE1 PHE 29 -1.854 -2.745 -1.413 222 HE2 PHE 29 HE2 PHE 29 2.157 -4.173 -1.973 223 HZ PHE 29 HZ PHE 29 -0.175 -4.560 -1.222 224 H HIS 30 H HIS 30 3.562 0.029 -5.356 225 HA HIS 30 HA HIS 30 3.078 -2.605 -6.578 226 HB2 HIS 30 2HB HIS 30 5.420 -0.650 -6.815 227 HB3 HIS 30 3HB HIS 30 5.374 -2.258 -7.551 228 HD2 HIS 30 HD2 HIS 30 3.786 -2.476 -9.875 229 HE1 HIS 30 HE1 HIS 30 2.707 1.662 -10.042 230 H VAL 31 H VAL 31 4.211 -4.451 -5.835 231 HA VAL 31 HA VAL 31 4.982 -4.431 -3.145 232 HB VAL 31 HB VAL 31 5.763 -6.746 -3.588 233 HG11 VAL 31 1HG1 VAL 31 3.613 -7.666 -4.400 234 HG12 VAL 31 2HG1 VAL 31 3.367 -6.328 -3.228 235 HG13 VAL 31 3HG1 VAL 31 3.141 -6.035 -4.986 236 HG21 VAL 31 3HG2 VAL 31 6.806 -6.374 -5.781 237 HG22 VAL 31 1HG2 VAL 31 5.591 -7.693 -5.868 238 HG23 VAL 31 2HG2 VAL 31 5.194 -6.063 -6.510 239 H ILE 32 H ILE 32 6.750 -3.671 -6.117 240 HA ILE 32 HA ILE 32 9.327 -4.220 -5.029 241 HB ILE 32 HB ILE 32 10.154 -2.986 -7.007 242 HG12 ILE 32 2HG1 ILE 32 7.216 -2.421 -7.618 243 HG13 ILE 32 3HG1 ILE 32 8.334 -1.232 -6.935 244 HG21 ILE 32 1HG2 ILE 32 9.151 -4.417 -8.757 245 HG22 ILE 32 2HG2 ILE 32 9.505 -5.342 -7.259 246 HG23 ILE 32 3HG2 ILE 32 7.819 -4.851 -7.633 247 HD11 ILE 32 3HD1 ILE 32 8.641 -2.623 -9.633 248 HD12 ILE 32 1HD1 ILE 32 8.098 -0.933 -9.358 249 HD13 ILE 32 2HD1 ILE 32 9.776 -1.416 -8.940 250 H LYS 33 H LYS 33 6.976 -1.661 -4.601 251 HA LYS 33 HA LYS 33 9.039 0.276 -3.871 252 HB2 LYS 33 2HB LYS 33 5.995 0.391 -4.086 253 HB3 LYS 33 3HB LYS 33 6.976 1.726 -3.467 254 HG2 LYS 33 2HG LYS 33 8.057 2.053 -5.596 255 HG3 LYS 33 3HG LYS 33 7.447 0.518 -6.229 256 HD2 LYS 33 2HD LYS 33 5.118 1.368 -6.132 257 HD3 LYS 33 3HD LYS 33 5.677 2.882 -5.409 258 HE2 LYS 33 2HE LYS 33 6.911 3.486 -7.420 259 HE3 LYS 33 3HE LYS 33 6.664 1.883 -8.126 260 HZ1 LYS 33 3HZ LYS 33 4.495 3.788 -7.520 261 HZ2 LYS 33 1HZ LYS 33 5.146 3.549 -8.999 262 HZ3 LYS 33 2HZ LYS 33 4.326 2.344 -8.263 263 H VAL 34 H VAL 34 8.310 -2.369 -2.331 264 HA VAL 34 HA VAL 34 7.559 -1.056 0.186 265 HB VAL 34 HB VAL 34 7.323 -3.987 -0.665 266 HG11 VAL 34 1HG1 VAL 34 6.119 -4.289 1.476 267 HG12 VAL 34 2HG1 VAL 34 7.819 -3.770 1.731 268 HG13 VAL 34 3HG1 VAL 34 6.482 -2.585 1.914 269 HG21 VAL 34 3HG2 VAL 34 5.675 -2.532 -1.763 270 HG22 VAL 34 1HG2 VAL 34 4.885 -3.576 -0.534 271 HG23 VAL 34 2HG2 VAL 34 5.202 -1.846 -0.173 272 H ALA 35 H ALA 35 8.920 -1.282 2.010 273 HA ALA 35 HA ALA 35 11.636 -1.863 1.446 274 HB1 ALA 35 3HB ALA 35 10.142 -1.438 4.081 275 HB2 ALA 35 1HB ALA 35 11.926 -1.427 3.874 276 HB3 ALA 35 2HB ALA 35 10.923 -0.165 3.083 277 H ASN 36 H ASN 36 9.058 -3.632 3.335 278 HA ASN 36 HA ASN 36 10.627 -6.049 2.826 279 HB2 ASN 36 2HB ASN 36 9.529 -5.165 5.518 280 HB3 ASN 36 3HB ASN 36 9.974 -6.836 5.147 281 HD21 ASN 36 1HD2 ASN 36 11.040 -3.793 6.157 282 HD22 ASN 36 2HD2 ASN 36 12.729 -4.162 6.270 283 HA PRO 37 HA PRO 37 6.192 -6.440 1.593 284 HB2 PRO 37 2HB PRO 37 6.782 -8.067 -0.607 285 HB3 PRO 37 3HB PRO 37 6.816 -6.302 -0.714 286 HG2 PRO 37 2HG PRO 37 9.121 -8.231 -0.274 287 HG3 PRO 37 3HG PRO 37 9.032 -6.838 -1.360 288 HD2 PRO 37 2HD PRO 37 10.305 -6.621 1.018 289 HD3 PRO 37 3HD PRO 37 9.343 -5.268 0.407 290 H ASP 38 H ASP 38 8.664 -8.682 2.610 291 HA ASP 38 HA ASP 38 6.998 -10.986 2.566 292 HB2 ASP 38 2HB ASP 38 9.520 -10.187 4.086 293 HB3 ASP 38 3HB ASP 38 8.727 -11.749 4.326 294 H LEU 39 H LEU 39 7.279 -8.164 4.723 295 HA LEU 39 HA LEU 39 6.007 -9.654 6.901 296 HB2 LEU 39 2HB LEU 39 7.219 -6.850 6.731 297 HB3 LEU 39 3HB LEU 39 6.511 -7.559 8.189 298 HG LEU 39 HG LEU 39 8.954 -8.667 6.707 299 HD11 LEU 39 1HD1 LEU 39 10.215 -7.836 8.658 300 HD12 LEU 39 2HD1 LEU 39 9.400 -6.497 7.780 301 HD13 LEU 39 3HD1 LEU 39 8.713 -7.110 9.322 302 HD21 LEU 39 3HD2 LEU 39 7.622 -10.398 7.858 303 HD22 LEU 39 1HD2 LEU 39 9.176 -10.104 8.708 304 HD23 LEU 39 2HD2 LEU 39 7.650 -9.424 9.366 305 H ILE 40 H ILE 40 5.066 -7.818 4.175 306 HA ILE 40 HA ILE 40 3.046 -6.228 5.264 307 HB ILE 40 HB ILE 40 3.321 -7.589 2.538 308 HG12 ILE 40 2HG1 ILE 40 5.096 -5.963 3.119 309 HG13 ILE 40 3HG1 ILE 40 4.092 -5.417 1.769 310 HG21 ILE 40 1HG2 ILE 40 1.624 -5.968 1.752 311 HG22 ILE 40 2HG2 ILE 40 0.959 -7.082 2.995 312 HG23 ILE 40 3HG2 ILE 40 1.394 -5.397 3.439 313 HD11 ILE 40 3HD1 ILE 40 3.843 -4.487 4.665 314 HD12 ILE 40 1HD1 ILE 40 4.583 -3.571 3.309 315 HD13 ILE 40 2HD1 ILE 40 2.824 -3.933 3.293 316 H LYS 41 H LYS 41 0.921 -6.652 5.908 317 HA LYS 41 HA LYS 41 -0.112 -9.348 5.304 318 HB2 LYS 41 2HB LYS 41 -0.336 -7.748 7.897 319 HB3 LYS 41 3HB LYS 41 -1.304 -9.182 7.530 320 HG2 LYS 41 2HG LYS 41 0.801 -10.532 7.337 321 HG3 LYS 41 3HG LYS 41 1.746 -9.096 7.752 322 HD2 LYS 41 2HD LYS 41 0.523 -8.928 9.935 323 HD3 LYS 41 3HD LYS 41 -0.409 -10.373 9.520 324 HE2 LYS 41 2HE LYS 41 1.715 -11.693 9.366 325 HE3 LYS 41 3HE LYS 41 2.640 -10.248 9.796 326 HZ1 LYS 41 3HZ LYS 41 0.604 -11.533 11.499 327 HZ2 LYS 41 1HZ LYS 41 2.221 -11.630 11.704 328 HZ3 LYS 41 2HZ LYS 41 1.457 -10.199 11.896 329 H LYS 42 H LYS 42 -2.527 -9.453 5.223 330 HA LYS 42 HA LYS 42 -3.472 -7.583 3.440 331 HB2 LYS 42 2HB LYS 42 -4.365 -9.891 3.839 332 HB3 LYS 42 3HB LYS 42 -5.068 -9.340 5.366 333 HG2 LYS 42 2HG LYS 42 -6.548 -7.775 4.169 334 HG3 LYS 42 3HG LYS 42 -5.786 -8.183 2.626 335 HD2 LYS 42 2HD LYS 42 -6.548 -10.534 2.838 336 HD3 LYS 42 3HD LYS 42 -7.241 -10.190 4.428 337 HE2 LYS 42 2HE LYS 42 -8.815 -8.557 3.421 338 HE3 LYS 42 3HE LYS 42 -8.086 -8.804 1.829 339 HZ1 LYS 42 3HZ LYS 42 -9.465 -10.880 3.408 340 HZ2 LYS 42 1HZ LYS 42 -10.074 -10.109 2.103 341 HZ3 LYS 42 2HZ LYS 42 -8.793 -11.108 1.938 342 H ASP 43 H ASP 43 -4.846 -7.945 6.817 343 HA ASP 43 HA ASP 43 -5.868 -5.244 6.575 344 HB2 ASP 43 2HB ASP 43 -6.102 -7.393 8.733 345 HB3 ASP 43 3HB ASP 43 -6.888 -5.811 8.813 346 H ALA 44 H ALA 44 -3.142 -6.948 8.118 347 HA ALA 44 HA ALA 44 -2.838 -4.805 10.080 348 HB1 ALA 44 3HB ALA 44 -1.359 -7.446 9.643 349 HB2 ALA 44 1HB ALA 44 -1.089 -6.307 11.005 350 HB3 ALA 44 2HB ALA 44 -2.669 -7.144 10.834 351 H ALA 45 H ALA 45 -2.352 -4.350 7.096 352 HA ALA 45 HA ALA 45 0.409 -4.623 6.580 353 HB1 ALA 45 3HB ALA 45 -1.726 -2.840 5.313 354 HB2 ALA 45 1HB ALA 45 -0.106 -3.191 4.621 355 HB3 ALA 45 2HB ALA 45 -1.304 -4.514 4.817 356 H VAL 46 H VAL 46 1.723 -2.536 5.818 357 HA VAL 46 HA VAL 46 1.719 -0.862 8.227 358 HB VAL 46 HB VAL 46 4.130 -0.485 7.694 359 HG11 VAL 46 1HG1 VAL 46 4.920 -2.757 8.275 360 HG12 VAL 46 2HG1 VAL 46 3.478 -2.284 9.235 361 HG13 VAL 46 3HG1 VAL 46 3.305 -3.421 7.856 362 HG21 VAL 46 3HG2 VAL 46 4.019 -0.792 5.257 363 HG22 VAL 46 1HG2 VAL 46 5.232 -1.899 5.985 364 HG23 VAL 46 2HG2 VAL 46 3.628 -2.530 5.480 365 H THR 47 H THR 47 3.830 0.906 6.687 366 HA THR 47 HA THR 47 1.567 2.647 5.993 367 HB THR 47 HB THR 47 2.573 3.092 8.232 368 HG1 THR 47 HG1 THR 47 3.544 5.362 7.033 369 HG21 THR 47 3HG2 THR 47 5.107 3.673 6.622 370 HG22 THR 47 1HG2 THR 47 4.877 3.995 8.373 371 HG23 THR 47 2HG2 THR 47 4.865 2.307 7.762 372 H PHE 48 H PHE 48 2.366 4.751 4.771 373 HA PHE 48 HA PHE 48 4.468 4.151 2.869 374 HB2 PHE 48 2HB PHE 48 2.976 4.100 0.938 375 HB3 PHE 48 3HB PHE 48 2.590 2.772 2.040 376 HD1 PHE 48 HD1 PHE 48 0.522 2.822 3.397 377 HD2 PHE 48 HD2 PHE 48 1.414 5.913 0.550 378 HE1 PHE 48 HE1 PHE 48 -1.838 3.566 3.464 379 HE2 PHE 48 HE2 PHE 48 -0.946 6.656 0.620 380 HZ PHE 48 HZ PHE 48 -2.577 5.485 2.075 381 H GLU 49 H GLU 49 4.686 5.982 1.230 382 HA GLU 49 HA GLU 49 3.600 8.480 2.314 383 HB2 GLU 49 2HB GLU 49 6.026 8.368 1.874 384 HB3 GLU 49 3HB GLU 49 5.726 7.883 0.200 385 HG2 GLU 49 2HG GLU 49 4.615 10.077 -0.234 386 HG3 GLU 49 3HG GLU 49 4.925 10.562 1.438 387 HA PRO 50 HA PRO 50 0.460 8.310 -0.817 388 HB2 PRO 50 2HB PRO 50 -0.531 10.881 -0.382 389 HB3 PRO 50 3HB PRO 50 -0.883 9.554 0.733 390 HG2 PRO 50 2HG PRO 50 1.243 11.712 0.947 391 HG3 PRO 50 3HG PRO 50 0.144 11.109 2.195 392 HD2 PRO 50 2HD PRO 50 2.717 10.247 2.091 393 HD3 PRO 50 3HD PRO 50 1.421 9.141 2.564 394 H THR 51 H THR 51 0.378 8.614 -2.948 395 HA THR 51 HA THR 51 1.751 10.971 -3.989 396 HB THR 51 HB THR 51 2.860 9.595 -5.738 397 HG1 THR 51 HG1 THR 51 1.294 7.617 -4.524 398 HG21 THR 51 3HG2 THR 51 3.502 8.707 -2.883 399 HG22 THR 51 1HG2 THR 51 4.599 8.573 -4.299 400 HG23 THR 51 2HG2 THR 51 4.107 10.191 -3.694 401 H THR 52 H THR 52 1.215 11.287 -6.413 402 HA THR 52 HA THR 52 -1.448 10.194 -6.960 403 HB THR 52 HB THR 52 -0.615 13.137 -7.121 404 HG1 THR 52 HG1 THR 52 -2.322 13.344 -5.499 405 HG21 THR 52 3HG2 THR 52 -3.258 11.758 -7.807 406 HG22 THR 52 1HG2 THR 52 -2.966 13.530 -7.799 407 HG23 THR 52 2HG2 THR 52 -2.105 12.484 -8.978 408 H ASN 53 H ASN 53 -1.796 9.671 -9.140 409 HA ASN 53 HA ASN 53 0.186 10.720 -11.045 410 HB2 ASN 53 2HB ASN 53 -0.976 7.911 -10.946 411 HB3 ASN 53 3HB ASN 53 0.026 8.560 -12.251 412 HD21 ASN 53 1HD2 ASN 53 0.048 6.721 -9.550 413 HD22 ASN 53 2HD2 ASN 53 1.740 6.782 -9.184 414 H ASN 54 H ASN 54 -0.683 10.467 -13.416 415 HA ASN 54 HA ASN 54 -3.270 11.615 -13.566 416 HB2 ASN 54 2HB ASN 54 -1.346 10.481 -15.621 417 HB3 ASN 54 3HB ASN 54 -2.930 11.132 -16.060 418 HD21 ASN 54 1HD2 ASN 54 -0.564 12.149 -17.031 419 HD22 ASN 54 2HD2 ASN 54 -0.411 13.782 -16.476 420 H LYS 55 H LYS 55 -2.189 8.332 -13.179 421 HA LYS 55 HA LYS 55 -4.562 7.259 -14.514 422 HB2 LYS 55 2HB LYS 55 -2.152 5.952 -13.165 423 HB3 LYS 55 3HB LYS 55 -3.497 5.061 -13.889 424 HG2 LYS 55 2HG LYS 55 -2.969 6.050 -16.112 425 HG3 LYS 55 3HG LYS 55 -1.640 6.971 -15.395 426 HD2 LYS 55 2HD LYS 55 -0.541 4.831 -14.690 427 HD3 LYS 55 3HD LYS 55 -1.868 3.913 -15.416 428 HE2 LYS 55 2HE LYS 55 -1.337 4.955 -17.646 429 HE3 LYS 55 3HE LYS 55 0.022 5.810 -16.906 430 HZ1 LYS 55 3HZ LYS 55 -0.276 2.876 -17.032 431 HZ2 LYS 55 1HZ LYS 55 0.724 3.776 -17.957 432 HZ3 LYS 55 2HZ LYS 55 0.979 3.666 -16.348 433 H GLY 56 H GLY 56 -3.721 8.538 -11.444 434 HA2 GLY 56 2HA GLY 56 -5.875 8.451 -10.092 435 HA3 GLY 56 3HA GLY 56 -5.602 6.703 -10.095 436 H LEU 57 H LEU 57 -5.689 7.390 -7.612 437 HA LEU 57 HA LEU 57 -3.255 8.588 -6.633 438 HB2 LEU 57 2HB LEU 57 -5.590 7.187 -5.240 439 HB3 LEU 57 3HB LEU 57 -4.274 8.029 -4.411 440 HG LEU 57 HG LEU 57 -6.266 9.346 -6.333 441 HD11 LEU 57 1HD1 LEU 57 -7.178 10.387 -4.292 442 HD12 LEU 57 2HD1 LEU 57 -7.320 8.597 -4.240 443 HD13 LEU 57 3HD1 LEU 57 -6.040 9.425 -3.290 444 HD21 LEU 57 3HD2 LEU 57 -4.044 10.421 -6.317 445 HD22 LEU 57 1HD2 LEU 57 -5.267 11.448 -5.495 446 HD23 LEU 57 2HD2 LEU 57 -4.089 10.502 -4.523 447 H SER 58 H SER 58 -1.556 7.554 -5.474 448 HA SER 58 HA SER 58 -1.532 4.630 -5.542 449 HB2 SER 58 2HB SER 58 0.583 4.603 -6.785 450 HB3 SER 58 3HB SER 58 -0.716 5.301 -7.761 451 HG SER 58 HG SER 58 1.205 6.822 -6.237 452 H ALA 59 H ALA 59 0.713 3.853 -4.590 453 HA ALA 59 HA ALA 59 1.381 5.695 -2.381 454 HB1 ALA 59 3HB ALA 59 0.957 2.668 -2.301 455 HB2 ALA 59 1HB ALA 59 1.533 3.682 -0.935 456 HB3 ALA 59 2HB ALA 59 -0.124 3.913 -1.589 457 H TYR 60 H TYR 60 3.569 5.695 -1.665 458 HA TYR 60 HA TYR 60 5.417 4.015 -3.189 459 HB2 TYR 60 2HB TYR 60 5.172 6.075 -4.521 460 HB3 TYR 60 3HB TYR 60 5.470 7.071 -3.091 461 HD1 TYR 60 HD1 TYR 60 7.085 4.388 -5.180 462 HD2 TYR 60 HD2 TYR 60 7.652 7.772 -2.600 463 HE1 TYR 60 HE1 TYR 60 9.515 4.333 -5.649 464 HE2 TYR 60 HE2 TYR 60 10.082 7.728 -3.073 465 HH TYR 60 HH TYR 60 11.736 6.741 -4.149 466 H ALA 61 H ALA 61 7.576 3.895 -2.198 467 HA ALA 61 HA ALA 61 8.934 3.672 -0.460 468 HB1 ALA 61 3HB ALA 61 7.659 6.322 0.388 469 HB2 ALA 61 1HB ALA 61 9.175 5.629 1.056 470 HB3 ALA 61 2HB ALA 61 9.097 6.124 -0.669 471 H VAL 62 H VAL 62 7.041 1.882 -0.080 472 HA VAL 62 HA VAL 62 5.522 2.369 2.296 473 HB VAL 62 HB VAL 62 6.072 -0.173 0.681 474 HG11 VAL 62 1HG1 VAL 62 4.138 -1.128 1.900 475 HG12 VAL 62 2HG1 VAL 62 5.488 -0.711 3.009 476 HG13 VAL 62 3HG1 VAL 62 4.047 0.356 2.907 477 HG21 VAL 62 3HG2 VAL 62 4.847 1.549 -0.574 478 HG22 VAL 62 1HG2 VAL 62 3.770 0.172 -0.162 479 HG23 VAL 62 2HG2 VAL 62 3.664 1.705 0.769 480 H LYS 63 H LYS 63 6.113 1.922 4.417 481 HA LYS 63 HA LYS 63 8.744 0.618 4.734 482 HB2 LYS 63 2HB LYS 63 7.552 3.033 6.175 483 HB3 LYS 63 3HB LYS 63 9.027 2.199 6.681 484 HG2 LYS 63 2HG LYS 63 10.071 2.748 4.462 485 HG3 LYS 63 3HG LYS 63 8.606 3.628 4.009 486 HD2 LYS 63 2HD LYS 63 8.912 5.112 6.033 487 HD3 LYS 63 3HD LYS 63 10.423 4.266 6.394 488 HE2 LYS 63 2HE LYS 63 11.329 4.933 4.158 489 HE3 LYS 63 3HE LYS 63 9.820 5.782 3.800 490 HZ1 LYS 63 3HZ LYS 63 11.648 6.429 6.024 491 HZ2 LYS 63 1HZ LYS 63 11.496 7.273 4.635 492 HZ3 LYS 63 2HZ LYS 63 10.255 7.213 5.694 493 H VAL 64 H VAL 64 8.816 -1.086 6.162 494 HA VAL 64 HA VAL 64 6.340 -1.717 7.525 495 HB VAL 64 HB VAL 64 8.981 -3.235 7.222 496 HG11 VAL 64 1HG1 VAL 64 7.737 -5.184 8.111 497 HG12 VAL 64 2HG1 VAL 64 7.842 -3.853 9.312 498 HG13 VAL 64 3HG1 VAL 64 6.313 -4.131 8.412 499 HG21 VAL 64 3HG2 VAL 64 7.737 -2.987 5.118 500 HG22 VAL 64 1HG2 VAL 64 7.677 -4.686 5.699 501 HG23 VAL 64 2HG2 VAL 64 6.251 -3.614 5.908 502 H VAL 65 H VAL 65 5.979 -1.204 9.664 503 HA VAL 65 HA VAL 65 8.301 -0.485 11.274 504 HB VAL 65 HB VAL 65 5.291 -0.213 11.758 505 HG11 VAL 65 1HG1 VAL 65 5.929 1.143 13.730 506 HG12 VAL 65 2HG1 VAL 65 6.496 -0.555 13.874 507 HG13 VAL 65 3HG1 VAL 65 7.656 0.746 13.438 508 HG21 VAL 65 3HG2 VAL 65 6.159 1.299 10.026 509 HG22 VAL 65 1HG2 VAL 65 5.734 2.209 11.515 510 HG23 VAL 65 2HG2 VAL 65 7.454 1.852 11.141 511 HA PRO 66 HA PRO 66 8.148 -4.462 13.367 512 HB2 PRO 66 2HB PRO 66 9.734 -3.669 15.523 513 HB3 PRO 66 3HB PRO 66 10.439 -4.074 13.953 514 HG2 PRO 66 2HG PRO 66 9.752 -1.342 15.087 515 HG3 PRO 66 3HG PRO 66 11.220 -1.857 14.246 516 HD2 PRO 66 2HD PRO 66 9.294 -0.486 12.918 517 HD3 PRO 66 3HD PRO 66 10.183 -1.780 12.104 518 H LEU 67 H LEU 67 6.258 -5.053 14.198 519 HA LEU 67 HA LEU 67 5.005 -3.209 16.098 520 HB2 LEU 67 2HB LEU 67 3.971 -5.683 14.626 521 HB3 LEU 67 3HB LEU 67 3.008 -4.663 15.704 522 HG LEU 67 HG LEU 67 4.294 -3.751 13.075 523 HD11 LEU 67 1HD1 LEU 67 1.964 -3.641 12.271 524 HD12 LEU 67 2HD1 LEU 67 2.418 -5.311 12.753 525 HD13 LEU 67 3HD1 LEU 67 1.390 -4.312 13.835 526 HD21 LEU 67 3HD2 LEU 67 4.167 -1.955 14.767 527 HD22 LEU 67 1HD2 LEU 67 2.977 -1.688 13.449 528 HD23 LEU 67 2HD2 LEU 67 2.430 -2.324 15.037 529 H GLU 68 H GLU 68 6.870 -6.172 16.039 530 HA GLU 68 HA GLU 68 5.958 -6.714 18.794 531 HB2 GLU 68 2HB GLU 68 7.065 -8.592 16.654 532 HB3 GLU 68 3HB GLU 68 6.837 -9.043 18.349 533 HG2 GLU 68 2HG GLU 68 4.384 -8.572 18.127 534 HG3 GLU 68 3HG GLU 68 4.628 -8.175 16.421 535 H HIS 69 H HIS 69 7.544 -6.945 20.419 536 HA HIS 69 HA HIS 69 10.327 -6.600 19.545 537 HB2 HIS 69 2HB HIS 69 8.891 -4.961 21.691 538 HB3 HIS 69 3HB HIS 69 10.635 -4.945 21.400 539 HD2 HIS 69 HD2 HIS 69 7.407 -3.295 20.035 540 HE1 HIS 69 HE1 HIS 69 10.627 -2.138 17.464 541 H HIS 70 H HIS 70 11.904 -7.475 21.033 542 HA HIS 70 HA HIS 70 10.849 -9.633 22.609 543 HB2 HIS 70 2HB HIS 70 12.936 -9.762 21.204 544 HB3 HIS 70 3HB HIS 70 13.709 -8.597 22.288 545 HD2 HIS 70 HD2 HIS 70 12.909 -12.399 22.117 546 HE1 HIS 70 HE1 HIS 70 14.699 -11.609 25.926 547 H HIS 71 H HIS 71 10.989 -9.904 24.899 548 HA HIS 71 HA HIS 71 12.164 -7.788 26.475 549 HB2 HIS 71 2HB HIS 71 10.119 -7.245 27.696 550 HB3 HIS 71 3HB HIS 71 9.919 -6.860 25.981 551 HD2 HIS 71 HD2 HIS 71 8.307 -9.103 28.713 552 HE1 HIS 71 HE1 HIS 71 6.368 -9.978 24.998 553 H HIS 72 H HIS 72 11.967 -8.350 28.903 554 HA HIS 72 HA HIS 72 11.223 -11.052 29.518 555 HB2 HIS 72 2HB HIS 72 13.493 -11.299 28.411 556 HB3 HIS 72 3HB HIS 72 14.175 -10.272 29.678 557 HD2 HIS 72 HD2 HIS 72 13.103 -13.964 29.125 558 HE1 HIS 72 HE1 HIS 72 14.275 -13.550 33.222 559 H HIS 73 H HIS 73 10.980 -11.350 31.792 560 HA HIS 73 HA HIS 73 12.133 -9.485 33.626 561 HB2 HIS 73 2HB HIS 73 10.033 -8.521 34.446 562 HB3 HIS 73 3HB HIS 73 10.303 -8.076 32.756 563 HD2 HIS 73 HD2 HIS 73 7.690 -9.952 34.937 564 HE1 HIS 73 HE1 HIS 73 6.458 -10.285 30.851 565 H HIS 74 H HIS 74 11.169 -9.944 35.944 566 HA HIS 74 HA HIS 74 10.552 -12.826 36.059 567 HB2 HIS 74 2HB HIS 74 12.058 -11.046 38.039 568 HB3 HIS 74 3HB HIS 74 11.646 -12.744 38.310 569 HD2 HIS 74 HD2 HIS 74 14.241 -10.594 36.304 570 HE1 HIS 74 HE1 HIS 74 15.186 -14.731 35.737 Start of MODEL 17 1 H1 MET 1 1H MET 1 7.593 10.873 12.300 2 H2 MET 1 2H MET 1 7.681 9.946 10.959 3 H3 MET 1 3H MET 1 7.502 11.564 10.823 4 HA MET 1 HA MET 1 5.470 10.641 12.424 5 HB2 MET 1 2HB MET 1 5.581 11.767 9.588 6 HB3 MET 1 3HB MET 1 4.077 11.500 10.479 7 HG2 MET 1 2HG MET 1 4.815 13.088 12.236 8 HG3 MET 1 3HG MET 1 6.348 13.331 11.389 9 HE1 MET 1 3HE MET 1 2.608 13.974 11.613 10 HE2 MET 1 1HE MET 1 2.194 14.931 10.151 11 HE3 MET 1 2HE MET 1 2.499 13.167 10.012 12 H ALA 2 H ALA 2 3.560 9.306 11.718 13 HA ALA 2 HA ALA 2 3.991 7.427 9.583 14 HB1 ALA 2 3HB ALA 2 3.995 6.497 12.497 15 HB2 ALA 2 1HB ALA 2 3.879 5.430 11.057 16 HB3 ALA 2 2HB ALA 2 5.368 6.393 11.345 17 H MET 3 H MET 3 2.058 6.076 9.193 18 HA MET 3 HA MET 3 -0.305 7.031 10.676 19 HB2 MET 3 2HB MET 3 0.066 6.742 7.658 20 HB3 MET 3 3HB MET 3 -1.507 6.928 8.446 21 HG2 MET 3 2HG MET 3 -0.819 9.135 9.341 22 HG3 MET 3 3HG MET 3 0.781 8.948 8.609 23 HE1 MET 3 3HE MET 3 0.008 8.468 4.949 24 HE2 MET 3 1HE MET 3 0.935 9.904 5.500 25 HE3 MET 3 2HE MET 3 1.143 8.326 6.333 26 H ASN 4 H ASN 4 -2.140 5.506 10.651 27 HA ASN 4 HA ASN 4 -1.187 2.753 10.234 28 HB2 ASN 4 2HB ASN 4 -3.328 3.898 12.063 29 HB3 ASN 4 3HB ASN 4 -3.082 2.168 11.791 30 HD21 ASN 4 1HD2 ASN 4 -2.906 3.588 14.253 31 HD22 ASN 4 2HD2 ASN 4 -1.313 3.297 14.868 32 H GLY 5 H GLY 5 -2.579 1.204 9.161 33 HA2 GLY 5 2HA GLY 5 -5.042 2.160 7.982 34 HA3 GLY 5 3HA GLY 5 -3.698 2.008 6.843 35 H THR 6 H THR 6 -5.342 0.353 5.898 36 HA THR 6 HA THR 6 -4.437 -2.234 6.852 37 HB THR 6 HB THR 6 -6.589 -1.942 8.015 38 HG1 THR 6 HG1 THR 6 -6.085 -4.049 7.138 39 HG21 THR 6 3HG2 THR 6 -7.738 -1.493 5.216 40 HG22 THR 6 1HG2 THR 6 -8.690 -1.664 6.729 41 HG23 THR 6 2HG2 THR 6 -7.591 -0.259 6.513 42 H ILE 7 H ILE 7 -4.049 -3.661 5.129 43 HA ILE 7 HA ILE 7 -4.541 -2.658 2.477 44 HB ILE 7 HB ILE 7 -3.310 -5.254 3.531 45 HG12 ILE 7 2HG1 ILE 7 -2.055 -2.789 2.230 46 HG13 ILE 7 3HG1 ILE 7 -2.053 -3.129 3.966 47 HG21 ILE 7 1HG2 ILE 7 -2.540 -5.621 1.210 48 HG22 ILE 7 2HG2 ILE 7 -4.332 -5.626 1.328 49 HG23 ILE 7 3HG2 ILE 7 -3.478 -4.187 0.676 50 HD11 ILE 7 3HD1 ILE 7 -0.763 -4.860 1.809 51 HD12 ILE 7 1HD1 ILE 7 0.086 -3.754 2.940 52 HD13 ILE 7 2HD1 ILE 7 -0.761 -5.206 3.571 53 H THR 8 H THR 8 -6.218 -3.278 1.092 54 HA THR 8 HA THR 8 -8.295 -4.780 2.455 55 HB THR 8 HB THR 8 -9.781 -3.837 0.704 56 HG1 THR 8 HG1 THR 8 -8.828 -2.285 -0.802 57 HG21 THR 8 3HG2 THR 8 -7.911 -1.765 1.958 58 HG22 THR 8 1HG2 THR 8 -9.560 -1.446 1.322 59 HG23 THR 8 2HG2 THR 8 -9.339 -2.519 2.745 60 H THR 9 H THR 9 -6.121 -4.982 -0.391 61 HA THR 9 HA THR 9 -6.829 -7.743 -0.660 62 HB THR 9 HB THR 9 -8.606 -6.692 -2.044 63 HG1 THR 9 HG1 THR 9 -7.280 -7.609 -4.203 64 HG21 THR 9 3HG2 THR 9 -6.261 -5.517 -3.618 65 HG22 THR 9 1HG2 THR 9 -7.991 -5.442 -4.095 66 HG23 THR 9 2HG2 THR 9 -7.431 -4.596 -2.613 67 H TRP 10 H TRP 10 -5.189 -8.933 -1.830 68 HA TRP 10 HA TRP 10 -3.062 -7.322 -3.043 69 HB2 TRP 10 2HB TRP 10 -1.368 -8.783 -1.903 70 HB3 TRP 10 3HB TRP 10 -2.232 -7.699 -0.805 71 HD1 TRP 10 HD1 TRP 10 -1.913 -11.440 -1.720 72 HE1 TRP 10 HE1 TRP 10 -2.926 -12.853 0.195 73 HE3 TRP 10 HE3 TRP 10 -3.950 -7.645 1.078 74 HZ2 TRP 10 HZ2 TRP 10 -4.384 -12.426 2.564 75 HZ3 TRP 10 HZ3 TRP 10 -5.154 -8.227 3.180 76 HH2 TRP 10 HH2 TRP 10 -5.363 -10.554 3.911 77 H PHE 11 H PHE 11 -2.484 -8.149 -5.023 78 HA PHE 11 HA PHE 11 -3.484 -10.861 -5.612 79 HB2 PHE 11 2HB PHE 11 -2.919 -8.503 -7.475 80 HB3 PHE 11 3HB PHE 11 -3.532 -10.087 -7.967 81 HD1 PHE 11 HD1 PHE 11 -5.833 -10.786 -7.385 82 HD2 PHE 11 HD2 PHE 11 -4.357 -6.872 -6.403 83 HE1 PHE 11 HE1 PHE 11 -8.151 -10.005 -7.010 84 HE2 PHE 11 HE2 PHE 11 -6.676 -6.093 -6.028 85 HZ PHE 11 HZ PHE 11 -8.578 -7.657 -6.330 86 H LYS 12 H LYS 12 -1.764 -12.266 -5.295 87 HA LYS 12 HA LYS 12 0.923 -11.494 -5.589 88 HB2 LYS 12 2HB LYS 12 -0.486 -14.199 -5.521 89 HB3 LYS 12 3HB LYS 12 1.274 -14.030 -5.582 90 HG2 LYS 12 2HG LYS 12 1.220 -12.746 -3.439 91 HG3 LYS 12 3HG LYS 12 -0.538 -12.929 -3.376 92 HD2 LYS 12 2HD LYS 12 -0.269 -15.424 -3.359 93 HD3 LYS 12 3HD LYS 12 1.488 -15.230 -3.398 94 HE2 LYS 12 2HE LYS 12 1.402 -13.972 -1.241 95 HE3 LYS 12 3HE LYS 12 -0.357 -14.148 -1.203 96 HZ1 LYS 12 3HZ LYS 12 1.577 -16.377 -1.157 97 HZ2 LYS 12 1HZ LYS 12 0.728 -15.822 0.122 98 HZ3 LYS 12 2HZ LYS 12 -0.047 -16.540 -1.123 99 H ASP 13 H ASP 13 -1.474 -12.893 -7.889 100 HA ASP 13 HA ASP 13 0.457 -13.768 -9.766 101 HB2 ASP 13 2HB ASP 13 -2.520 -13.132 -9.902 102 HB3 ASP 13 3HB ASP 13 -1.607 -13.680 -11.314 103 H LYS 14 H LYS 14 -1.108 -10.612 -9.104 104 HA LYS 14 HA LYS 14 -0.097 -9.597 -11.668 105 HB2 LYS 14 2HB LYS 14 -1.956 -8.324 -9.602 106 HB3 LYS 14 3HB LYS 14 -1.543 -7.658 -11.187 107 HG2 LYS 14 2HG LYS 14 -3.054 -10.274 -10.710 108 HG3 LYS 14 3HG LYS 14 -3.791 -8.728 -11.150 109 HD2 LYS 14 2HD LYS 14 -2.429 -8.701 -13.265 110 HD3 LYS 14 3HD LYS 14 -1.742 -10.270 -12.829 111 HE2 LYS 14 2HE LYS 14 -4.051 -11.258 -12.797 112 HE3 LYS 14 3HE LYS 14 -4.718 -9.690 -13.272 113 HZ1 LYS 14 3HZ LYS 14 -2.801 -11.275 -14.860 114 HZ2 LYS 14 1HZ LYS 14 -4.398 -11.125 -15.162 115 HZ3 LYS 14 2HZ LYS 14 -3.416 -9.828 -15.299 116 H GLY 15 H GLY 15 0.645 -9.694 -8.236 117 HA2 GLY 15 2HA GLY 15 2.363 -8.763 -7.115 118 HA3 GLY 15 3HA GLY 15 2.937 -8.037 -8.623 119 H PHE 16 H PHE 16 -0.423 -7.322 -7.915 120 HA PHE 16 HA PHE 16 0.424 -4.668 -6.940 121 HB2 PHE 16 2HB PHE 16 -1.876 -5.595 -8.712 122 HB3 PHE 16 3HB PHE 16 -1.912 -4.035 -7.880 123 HD1 PHE 16 HD1 PHE 16 -0.064 -2.349 -8.351 124 HD2 PHE 16 HD2 PHE 16 -0.644 -5.888 -10.717 125 HE1 PHE 16 HE1 PHE 16 1.249 -1.336 -10.189 126 HE2 PHE 16 HE2 PHE 16 0.673 -4.875 -12.553 127 HZ PHE 16 HZ PHE 16 1.622 -2.600 -12.293 128 H GLY 17 H GLY 17 -0.941 -3.626 -5.294 129 HA2 GLY 17 2HA GLY 17 -3.143 -5.248 -4.259 130 HA3 GLY 17 3HA GLY 17 -1.822 -4.874 -3.144 131 H PHE 18 H PHE 18 -4.353 -3.948 -2.476 132 HA PHE 18 HA PHE 18 -4.082 -1.062 -3.005 133 HB2 PHE 18 2HB PHE 18 -6.621 -2.760 -2.964 134 HB3 PHE 18 3HB PHE 18 -6.615 -0.993 -2.888 135 HD1 PHE 18 HD1 PHE 18 -5.905 -3.937 -5.020 136 HD2 PHE 18 HD2 PHE 18 -6.118 0.350 -4.843 137 HE1 PHE 18 HE1 PHE 18 -5.833 -3.828 -7.493 138 HE2 PHE 18 HE2 PHE 18 -6.045 0.456 -7.314 139 HZ PHE 18 HZ PHE 18 -5.907 -1.634 -8.644 140 H ILE 19 H ILE 19 -4.513 0.313 -1.209 141 HA ILE 19 HA ILE 19 -4.956 -1.115 1.310 142 HB ILE 19 HB ILE 19 -2.505 -0.873 0.984 143 HG12 ILE 19 2HG1 ILE 19 -3.489 1.128 3.064 144 HG13 ILE 19 3HG1 ILE 19 -3.685 -0.620 3.247 145 HG21 ILE 19 1HG2 ILE 19 -1.482 1.376 0.927 146 HG22 ILE 19 2HG2 ILE 19 -2.521 1.078 -0.507 147 HG23 ILE 19 3HG2 ILE 19 -3.117 2.114 0.834 148 HD11 ILE 19 3HD1 ILE 19 -1.031 0.853 2.936 149 HD12 ILE 19 1HD1 ILE 19 -1.707 0.179 4.458 150 HD13 ILE 19 2HD1 ILE 19 -1.230 -0.922 3.122 151 H LYS 20 H LYS 20 -6.117 0.085 2.876 152 HA LYS 20 HA LYS 20 -7.188 2.630 1.917 153 HB2 LYS 20 2HB LYS 20 -8.719 0.828 2.707 154 HB3 LYS 20 3HB LYS 20 -7.930 0.853 4.290 155 HG2 LYS 20 2HG LYS 20 -8.655 3.224 4.611 156 HG3 LYS 20 3HG LYS 20 -9.450 3.193 3.031 157 HD2 LYS 20 2HD LYS 20 -10.912 1.311 3.804 158 HD3 LYS 20 3HD LYS 20 -10.117 1.343 5.383 159 HE2 LYS 20 2HE LYS 20 -10.862 3.705 5.718 160 HE3 LYS 20 3HE LYS 20 -11.642 3.689 4.130 161 HZ1 LYS 20 3HZ LYS 20 -12.352 1.930 6.392 162 HZ2 LYS 20 1HZ LYS 20 -13.203 3.229 5.887 163 HZ3 LYS 20 2HZ LYS 20 -13.071 1.915 4.926 164 H ASP 21 H ASP 21 -6.534 4.594 2.725 165 HA ASP 21 HA ASP 21 -4.331 4.544 4.579 166 HB2 ASP 21 2HB ASP 21 -5.813 6.839 3.207 167 HB3 ASP 21 3HB ASP 21 -4.323 7.003 4.146 168 H GLU 22 H GLU 22 -4.246 5.880 6.583 169 HA GLU 22 HA GLU 22 -6.462 5.842 8.250 170 HB2 GLU 22 2HB GLU 22 -3.952 6.306 8.730 171 HB3 GLU 22 3HB GLU 22 -4.296 7.981 8.277 172 HG2 GLU 22 2HG GLU 22 -5.816 8.281 10.111 173 HG3 GLU 22 3HG GLU 22 -5.910 6.544 10.426 174 H ASN 23 H ASN 23 -5.725 7.977 5.517 175 HA ASN 23 HA ASN 23 -7.568 10.006 6.443 176 HB2 ASN 23 2HB ASN 23 -5.962 9.625 3.892 177 HB3 ASN 23 3HB ASN 23 -7.112 10.948 4.122 178 HD21 ASN 23 1HD2 ASN 23 -4.355 11.215 3.629 179 HD22 ASN 23 2HD2 ASN 23 -3.684 12.076 4.973 180 H GLY 24 H GLY 24 -7.831 6.919 4.909 181 HA2 GLY 24 2HA GLY 24 -9.902 5.960 4.546 182 HA3 GLY 24 3HA GLY 24 -10.627 7.561 4.346 183 H ASP 25 H ASP 25 -7.716 7.539 2.557 184 HA ASP 25 HA ASP 25 -9.219 7.290 0.094 185 HB2 ASP 25 2HB ASP 25 -6.341 8.021 0.798 186 HB3 ASP 25 3HB ASP 25 -6.902 7.853 -0.871 187 H ASN 26 H ASN 26 -8.744 5.785 -1.623 188 HA ASN 26 HA ASN 26 -7.401 3.361 -0.667 189 HB2 ASN 26 2HB ASN 26 -9.257 3.879 -3.020 190 HB3 ASN 26 3HB ASN 26 -8.445 2.339 -2.712 191 HD21 ASN 26 1HD2 ASN 26 -11.233 4.011 -2.322 192 HD22 ASN 26 2HD2 ASN 26 -11.946 3.073 -1.053 193 H ARG 27 H ARG 27 -5.280 3.079 -1.239 194 HA ARG 27 HA ARG 27 -4.435 4.311 -3.777 195 HB2 ARG 27 2HB ARG 27 -3.020 4.201 -1.115 196 HB3 ARG 27 3HB ARG 27 -2.145 4.410 -2.637 197 HG2 ARG 27 2HG ARG 27 -3.454 6.453 -3.127 198 HG3 ARG 27 3HG ARG 27 -4.371 6.237 -1.630 199 HD2 ARG 27 2HD ARG 27 -2.552 6.749 -0.279 200 HD3 ARG 27 3HD ARG 27 -1.376 6.428 -1.561 201 HE ARG 27 HE ARG 27 -1.731 8.569 -2.421 202 HH11 ARG 27 1HH1 ARG 27 -4.051 7.939 0.143 203 HH12 ARG 27 2HH1 ARG 27 -4.490 9.606 0.310 204 HH21 ARG 27 1HH2 ARG 27 -2.312 10.697 -2.203 205 HH22 ARG 27 2HH2 ARG 27 -3.494 11.190 -1.036 206 H TYR 28 H TYR 28 -2.932 3.120 -5.083 207 HA TYR 28 HA TYR 28 -2.940 0.252 -4.402 208 HB2 TYR 28 2HB TYR 28 -2.913 -0.171 -6.754 209 HB3 TYR 28 3HB TYR 28 -4.142 1.073 -6.493 210 HD1 TYR 28 HD1 TYR 28 -0.792 0.367 -7.886 211 HD2 TYR 28 HD2 TYR 28 -3.796 3.376 -7.278 212 HE1 TYR 28 HE1 TYR 28 0.338 1.826 -9.537 213 HE2 TYR 28 HE2 TYR 28 -2.671 4.835 -8.931 214 HH TYR 28 HH TYR 28 -1.096 4.960 -10.516 215 H PHE 29 H PHE 29 -1.000 -1.021 -4.872 216 HA PHE 29 HA PHE 29 1.428 0.501 -5.402 217 HB2 PHE 29 2HB PHE 29 2.555 -0.439 -3.411 218 HB3 PHE 29 3HB PHE 29 1.234 0.650 -2.969 219 HD1 PHE 29 HD1 PHE 29 2.376 -2.861 -3.033 220 HD2 PHE 29 HD2 PHE 29 -0.795 -0.189 -1.908 221 HE1 PHE 29 HE1 PHE 29 1.378 -4.636 -1.623 222 HE2 PHE 29 HE2 PHE 29 -1.788 -1.964 -0.495 223 HZ PHE 29 HZ PHE 29 -0.705 -4.193 -0.357 224 H HIS 30 H HIS 30 3.275 -0.924 -5.964 225 HA HIS 30 HA HIS 30 2.411 -3.680 -6.554 226 HB2 HIS 30 2HB HIS 30 3.132 -2.185 -8.484 227 HB3 HIS 30 3HB HIS 30 4.738 -2.099 -7.749 228 HD2 HIS 30 HD2 HIS 30 2.681 -4.433 -10.036 229 HE1 HIS 30 HE1 HIS 30 6.248 -6.540 -8.955 230 H VAL 31 H VAL 31 3.833 -5.442 -5.982 231 HA VAL 31 HA VAL 31 4.972 -5.264 -3.510 232 HB VAL 31 HB VAL 31 5.554 -7.157 -5.837 233 HG11 VAL 31 1HG1 VAL 31 6.552 -8.680 -4.159 234 HG12 VAL 31 2HG1 VAL 31 7.480 -7.150 -4.309 235 HG13 VAL 31 3HG1 VAL 31 6.385 -7.403 -2.907 236 HG21 VAL 31 3HG2 VAL 31 3.250 -7.197 -4.984 237 HG22 VAL 31 1HG2 VAL 31 4.118 -8.707 -4.547 238 HG23 VAL 31 2HG2 VAL 31 3.859 -7.430 -3.311 239 H ILE 32 H ILE 32 6.544 -4.798 -6.755 240 HA ILE 32 HA ILE 32 9.157 -4.621 -5.708 241 HB ILE 32 HB ILE 32 7.850 -3.665 -8.297 242 HG12 ILE 32 2HG1 ILE 32 9.902 -5.862 -7.762 243 HG13 ILE 32 3HG1 ILE 32 8.157 -6.141 -7.814 244 HG21 ILE 32 1HG2 ILE 32 10.133 -3.229 -9.145 245 HG22 ILE 32 2HG2 ILE 32 9.713 -2.150 -7.772 246 HG23 ILE 32 3HG2 ILE 32 10.799 -3.556 -7.510 247 HD11 ILE 32 3HD1 ILE 32 9.857 -5.053 -10.103 248 HD12 ILE 32 1HD1 ILE 32 9.209 -6.721 -9.953 249 HD13 ILE 32 2HD1 ILE 32 8.084 -5.336 -10.156 250 H LYS 33 H LYS 33 6.434 -2.330 -5.925 251 HA LYS 33 HA LYS 33 8.173 -0.021 -5.708 252 HB2 LYS 33 2HB LYS 33 5.136 -0.376 -5.680 253 HB3 LYS 33 3HB LYS 33 5.959 1.187 -5.603 254 HG2 LYS 33 2HG LYS 33 6.907 0.877 -7.833 255 HG3 LYS 33 3HG LYS 33 6.321 -0.790 -7.906 256 HD2 LYS 33 2HD LYS 33 3.957 0.042 -7.758 257 HD3 LYS 33 3HD LYS 33 4.551 1.707 -7.704 258 HE2 LYS 33 2HE LYS 33 5.191 -0.226 -9.988 259 HE3 LYS 33 3HE LYS 33 3.793 0.858 -10.001 260 HZ1 LYS 33 3HZ LYS 33 6.622 1.671 -9.853 261 HZ2 LYS 33 1HZ LYS 33 5.609 1.878 -11.116 262 HZ3 LYS 33 2HZ LYS 33 5.366 2.707 -9.731 263 H VAL 34 H VAL 34 7.334 -2.380 -3.513 264 HA VAL 34 HA VAL 34 6.904 -0.432 -1.358 265 HB VAL 34 HB VAL 34 6.407 -3.452 -1.488 266 HG11 VAL 34 1HG1 VAL 34 5.402 -3.188 0.754 267 HG12 VAL 34 2HG1 VAL 34 7.151 -2.778 0.751 268 HG13 VAL 34 3HG1 VAL 34 5.922 -1.469 0.781 269 HG21 VAL 34 3HG2 VAL 34 4.769 -2.134 -2.752 270 HG22 VAL 34 1HG2 VAL 34 4.030 -2.817 -1.265 271 HG23 VAL 34 2HG2 VAL 34 4.491 -1.083 -1.323 272 H ALA 35 H ALA 35 8.387 -0.282 0.358 273 HA ALA 35 HA ALA 35 11.009 -1.226 -0.198 274 HB1 ALA 35 3HB ALA 35 9.779 0.052 2.293 275 HB2 ALA 35 1HB ALA 35 11.535 -0.155 1.979 276 HB3 ALA 35 2HB ALA 35 10.555 0.919 0.924 277 H ASN 36 H ASN 36 8.445 -2.204 2.202 278 HA ASN 36 HA ASN 36 10.112 -4.299 3.233 279 HB2 ASN 36 2HB ASN 36 7.183 -3.572 3.549 280 HB3 ASN 36 3HB ASN 36 7.892 -5.021 4.275 281 HD21 ASN 36 1HD2 ASN 36 10.490 -3.415 4.501 282 HD22 ASN 36 2HD2 ASN 36 10.263 -2.400 5.885 283 HA PRO 37 HA PRO 37 9.255 -7.413 0.292 284 HB2 PRO 37 2HB PRO 37 9.292 -9.688 1.901 285 HB3 PRO 37 3HB PRO 37 10.770 -8.783 1.552 286 HG2 PRO 37 2HG PRO 37 8.964 -8.614 3.992 287 HG3 PRO 37 3HG PRO 37 10.728 -8.725 3.926 288 HD2 PRO 37 2HD PRO 37 9.533 -6.324 4.314 289 HD3 PRO 37 3HD PRO 37 10.983 -6.434 3.308 290 H ASP 38 H ASP 38 7.870 -9.346 -0.308 291 HA ASP 38 HA ASP 38 5.191 -8.417 -0.075 292 HB2 ASP 38 2HB ASP 38 4.669 -10.239 -1.568 293 HB3 ASP 38 3HB ASP 38 6.182 -9.497 -2.105 294 H LEU 39 H LEU 39 6.933 -9.804 2.327 295 HA LEU 39 HA LEU 39 4.994 -11.779 3.168 296 HB2 LEU 39 2HB LEU 39 7.362 -10.453 4.578 297 HB3 LEU 39 3HB LEU 39 6.402 -11.782 5.241 298 HG LEU 39 HG LEU 39 8.068 -11.934 2.673 299 HD11 LEU 39 1HD1 LEU 39 9.568 -13.361 4.015 300 HD12 LEU 39 2HD1 LEU 39 9.459 -11.700 4.692 301 HD13 LEU 39 3HD1 LEU 39 8.565 -13.049 5.472 302 HD21 LEU 39 3HD2 LEU 39 6.088 -13.411 2.667 303 HD22 LEU 39 1HD2 LEU 39 7.604 -14.359 2.843 304 HD23 LEU 39 2HD2 LEU 39 6.561 -14.059 4.275 305 H ILE 40 H ILE 40 4.890 -8.413 2.969 306 HA ILE 40 HA ILE 40 3.649 -8.061 5.571 307 HB ILE 40 HB ILE 40 3.563 -5.683 4.972 308 HG12 ILE 40 2HG1 ILE 40 4.769 -6.462 2.279 309 HG13 ILE 40 3HG1 ILE 40 3.045 -6.149 2.519 310 HG21 ILE 40 1HG2 ILE 40 5.981 -5.244 4.698 311 HG22 ILE 40 2HG2 ILE 40 5.671 -6.563 5.877 312 HG23 ILE 40 3HG2 ILE 40 6.233 -6.956 4.217 313 HD11 ILE 40 3HD1 ILE 40 5.305 -4.164 3.033 314 HD12 ILE 40 1HD1 ILE 40 4.187 -4.169 1.628 315 HD13 ILE 40 2HD1 ILE 40 3.554 -3.846 3.277 316 H LYS 41 H LYS 41 2.504 -9.660 3.065 317 HA LYS 41 HA LYS 41 0.210 -8.077 2.338 318 HB2 LYS 41 2HB LYS 41 -0.399 -10.030 1.009 319 HB3 LYS 41 3HB LYS 41 1.302 -9.622 0.747 320 HG2 LYS 41 2HG LYS 41 1.539 -11.891 0.995 321 HG3 LYS 41 3HG LYS 41 1.667 -11.440 2.701 322 HD2 LYS 41 2HD LYS 41 -0.983 -11.687 2.678 323 HD3 LYS 41 3HD LYS 41 -0.698 -12.638 1.215 324 HE2 LYS 41 2HE LYS 41 0.475 -13.157 3.994 325 HE3 LYS 41 3HE LYS 41 -0.759 -14.120 3.171 326 HZ1 LYS 41 3HZ LYS 41 2.096 -13.948 2.608 327 HZ2 LYS 41 1HZ LYS 41 1.137 -15.265 2.713 328 HZ3 LYS 41 2HZ LYS 41 1.083 -14.320 1.383 329 H LYS 42 H LYS 42 -1.236 -7.695 4.027 330 HA LYS 42 HA LYS 42 -2.729 -9.838 5.097 331 HB2 LYS 42 2HB LYS 42 -1.998 -9.727 7.427 332 HB3 LYS 42 3HB LYS 42 -0.669 -10.257 6.388 333 HG2 LYS 42 2HG LYS 42 0.304 -7.966 6.447 334 HG3 LYS 42 3HG LYS 42 -1.036 -7.415 7.461 335 HD2 LYS 42 2HD LYS 42 -0.395 -9.021 9.238 336 HD3 LYS 42 3HD LYS 42 0.893 -9.674 8.217 337 HE2 LYS 42 2HE LYS 42 1.961 -7.387 8.158 338 HE3 LYS 42 3HE LYS 42 0.703 -6.796 9.252 339 HZ1 LYS 42 3HZ LYS 42 2.612 -8.959 9.866 340 HZ2 LYS 42 1HZ LYS 42 2.680 -7.432 10.439 341 HZ3 LYS 42 2HZ LYS 42 1.451 -8.414 10.876 342 H ASP 43 H ASP 43 -4.273 -8.996 6.874 343 HA ASP 43 HA ASP 43 -5.250 -6.448 6.002 344 HB2 ASP 43 2HB ASP 43 -6.077 -8.456 8.143 345 HB3 ASP 43 3HB ASP 43 -6.915 -6.915 7.916 346 H ALA 44 H ALA 44 -3.217 -7.626 8.701 347 HA ALA 44 HA ALA 44 -3.838 -5.365 10.372 348 HB1 ALA 44 3HB ALA 44 -1.709 -7.553 10.549 349 HB2 ALA 44 1HB ALA 44 -2.103 -6.368 11.840 350 HB3 ALA 44 2HB ALA 44 -3.328 -7.577 11.327 351 H ALA 45 H ALA 45 -1.914 -5.731 7.574 352 HA ALA 45 HA ALA 45 0.357 -4.234 8.319 353 HB1 ALA 45 3HB ALA 45 -1.053 -4.580 5.628 354 HB2 ALA 45 1HB ALA 45 0.600 -3.920 5.868 355 HB3 ALA 45 2HB ALA 45 0.245 -5.629 6.293 356 H VAL 46 H VAL 46 0.889 -1.978 7.626 357 HA VAL 46 HA VAL 46 -1.520 -0.322 7.924 358 HB VAL 46 HB VAL 46 -0.114 1.266 9.212 359 HG11 VAL 46 1HG1 VAL 46 0.124 -0.091 11.270 360 HG12 VAL 46 2HG1 VAL 46 -1.419 -0.434 10.417 361 HG13 VAL 46 3HG1 VAL 46 -0.049 -1.590 10.296 362 HG21 VAL 46 3HG2 VAL 46 2.067 0.726 8.214 363 HG22 VAL 46 1HG2 VAL 46 2.129 0.577 10.002 364 HG23 VAL 46 2HG2 VAL 46 2.031 -0.897 8.982 365 H THR 47 H THR 47 -0.811 2.162 7.361 366 HA THR 47 HA THR 47 0.109 1.856 4.604 367 HB THR 47 HB THR 47 -2.207 2.765 5.099 368 HG1 THR 47 HG1 THR 47 -1.998 4.400 3.508 369 HG21 THR 47 3HG2 THR 47 -0.599 5.137 6.172 370 HG22 THR 47 1HG2 THR 47 -2.372 5.110 5.889 371 HG23 THR 47 2HG2 THR 47 -1.646 4.042 7.137 372 H PHE 48 H PHE 48 0.474 4.883 4.343 373 HA PHE 48 HA PHE 48 3.034 5.259 5.529 374 HB2 PHE 48 2HB PHE 48 3.333 3.143 4.101 375 HB3 PHE 48 3HB PHE 48 3.005 4.149 2.684 376 HD1 PHE 48 HD1 PHE 48 5.251 3.980 5.695 377 HD2 PHE 48 HD2 PHE 48 4.763 5.257 1.622 378 HE1 PHE 48 HE1 PHE 48 7.633 4.651 5.619 379 HE2 PHE 48 HE2 PHE 48 7.146 5.921 1.545 380 HZ PHE 48 HZ PHE 48 8.586 5.618 3.543 381 H GLU 49 H GLU 49 4.360 6.889 4.041 382 HA GLU 49 HA GLU 49 2.794 9.137 3.643 383 HB2 GLU 49 2HB GLU 49 5.254 9.120 3.976 384 HB3 GLU 49 3HB GLU 49 5.475 8.364 2.392 385 HG2 GLU 49 2HG GLU 49 4.506 10.372 1.287 386 HG3 GLU 49 3HG GLU 49 4.253 11.128 2.866 387 HA PRO 50 HA PRO 50 0.774 8.083 -0.112 388 HB2 PRO 50 2HB PRO 50 -0.463 10.560 -0.509 389 HB3 PRO 50 3HB PRO 50 -1.004 9.465 0.769 390 HG2 PRO 50 2HG PRO 50 0.856 11.854 0.962 391 HG3 PRO 50 3HG PRO 50 -0.482 11.399 2.024 392 HD2 PRO 50 2HD PRO 50 2.096 10.861 2.713 393 HD3 PRO 50 3HD PRO 50 0.792 9.749 3.150 394 H THR 51 H THR 51 0.780 8.363 -2.371 395 HA THR 51 HA THR 51 2.495 10.537 -3.317 396 HB THR 51 HB THR 51 3.535 9.021 -4.975 397 HG1 THR 51 HG1 THR 51 1.906 7.063 -3.583 398 HG21 THR 51 3HG2 THR 51 3.791 8.010 -2.100 399 HG22 THR 51 1HG2 THR 51 4.972 7.730 -3.424 400 HG23 THR 51 2HG2 THR 51 4.679 9.395 -2.820 401 H THR 52 H THR 52 2.115 11.030 -5.693 402 HA THR 52 HA THR 52 -0.566 10.178 -6.510 403 HB THR 52 HB THR 52 0.482 13.057 -6.448 404 HG1 THR 52 HG1 THR 52 -1.320 13.313 -4.939 405 HG21 THR 52 3HG2 THR 52 -2.192 11.912 -7.389 406 HG22 THR 52 1HG2 THR 52 -1.778 13.655 -7.268 407 HG23 THR 52 2HG2 THR 52 -0.908 12.604 -8.436 408 H ASN 53 H ASN 53 -0.669 9.629 -8.688 409 HA ASN 53 HA ASN 53 1.283 10.923 -10.456 410 HB2 ASN 53 2HB ASN 53 1.548 8.824 -11.699 411 HB3 ASN 53 3HB ASN 53 2.153 8.701 -10.042 412 HD21 ASN 53 1HD2 ASN 53 1.838 6.742 -9.344 413 HD22 ASN 53 2HD2 ASN 53 0.357 5.848 -9.426 414 H ASN 54 H ASN 54 0.484 10.045 -12.916 415 HA ASN 54 HA ASN 54 -1.930 11.542 -13.159 416 HB2 ASN 54 2HB ASN 54 -0.146 10.081 -15.131 417 HB3 ASN 54 3HB ASN 54 -1.633 10.908 -15.616 418 HD21 ASN 54 1HD2 ASN 54 0.871 11.560 -16.589 419 HD22 ASN 54 2HD2 ASN 54 1.219 13.188 -16.115 420 H LYS 55 H LYS 55 -1.234 8.167 -12.624 421 HA LYS 55 HA LYS 55 -3.652 7.297 -14.014 422 HB2 LYS 55 2HB LYS 55 -1.462 5.797 -12.500 423 HB3 LYS 55 3HB LYS 55 -2.849 5.029 -13.285 424 HG2 LYS 55 2HG LYS 55 -2.095 5.869 -15.492 425 HG3 LYS 55 3HG LYS 55 -0.738 6.708 -14.728 426 HD2 LYS 55 2HD LYS 55 0.116 4.502 -13.867 427 HD3 LYS 55 3HD LYS 55 -1.220 3.681 -14.685 428 HE2 LYS 55 2HE LYS 55 -0.425 4.574 -16.882 429 HE3 LYS 55 3HE LYS 55 0.908 5.400 -16.065 430 HZ1 LYS 55 3HZ LYS 55 0.481 2.481 -16.098 431 HZ2 LYS 55 1HZ LYS 55 1.595 3.294 -16.972 432 HZ3 LYS 55 2HZ LYS 55 1.712 3.243 -15.344 433 H GLY 56 H GLY 56 -2.827 8.597 -10.947 434 HA2 GLY 56 2HA GLY 56 -5.036 8.784 -9.703 435 HA3 GLY 56 3HA GLY 56 -4.957 7.019 -9.643 436 H LEU 57 H LEU 57 -5.079 7.749 -7.187 437 HA LEU 57 HA LEU 57 -2.573 8.674 -6.096 438 HB2 LEU 57 2HB LEU 57 -5.089 7.524 -4.793 439 HB3 LEU 57 3HB LEU 57 -3.736 8.266 -3.929 440 HG LEU 57 HG LEU 57 -5.552 9.703 -5.937 441 HD11 LEU 57 1HD1 LEU 57 -6.407 10.879 -3.947 442 HD12 LEU 57 2HD1 LEU 57 -6.708 9.111 -3.849 443 HD13 LEU 57 3HD1 LEU 57 -5.378 9.850 -2.894 444 HD21 LEU 57 3HD2 LEU 57 -3.246 10.581 -5.904 445 HD22 LEU 57 1HD2 LEU 57 -4.389 11.734 -5.136 446 HD23 LEU 57 2HD2 LEU 57 -3.317 10.717 -4.115 447 H SER 58 H SER 58 -1.029 7.450 -4.912 448 HA SER 58 HA SER 58 -1.296 4.543 -5.071 449 HB2 SER 58 2HB SER 58 0.771 4.318 -6.340 450 HB3 SER 58 3HB SER 58 -0.413 5.240 -7.275 451 HG SER 58 HG SER 58 1.627 6.455 -5.639 452 H ALA 59 H ALA 59 0.857 3.516 -4.146 453 HA ALA 59 HA ALA 59 1.987 5.308 -2.102 454 HB1 ALA 59 3HB ALA 59 0.972 2.449 -1.705 455 HB2 ALA 59 1HB ALA 59 1.867 3.421 -0.489 456 HB3 ALA 59 2HB ALA 59 0.236 3.943 -1.032 457 H TYR 60 H TYR 60 4.203 5.136 -1.837 458 HA TYR 60 HA TYR 60 5.484 2.824 -3.145 459 HB2 TYR 60 2HB TYR 60 6.195 5.785 -3.222 460 HB3 TYR 60 3HB TYR 60 7.414 4.535 -3.507 461 HD1 TYR 60 HD1 TYR 60 4.218 5.973 -4.782 462 HD2 TYR 60 HD2 TYR 60 7.518 3.349 -5.589 463 HE1 TYR 60 HE1 TYR 60 3.518 5.829 -7.151 464 HE2 TYR 60 HE2 TYR 60 6.828 3.206 -7.963 465 HH TYR 60 HH TYR 60 5.489 4.774 -9.592 466 H ALA 61 H ALA 61 7.527 2.124 -2.163 467 HA ALA 61 HA ALA 61 8.845 1.631 -0.444 468 HB1 ALA 61 3HB ALA 61 8.484 4.611 0.146 469 HB2 ALA 61 1HB ALA 61 9.767 3.556 0.828 470 HB3 ALA 61 2HB ALA 61 9.717 3.882 -0.938 471 H VAL 62 H VAL 62 6.272 0.774 0.109 472 HA VAL 62 HA VAL 62 5.146 2.138 2.333 473 HB VAL 62 HB VAL 62 4.544 -0.589 1.076 474 HG11 VAL 62 1HG1 VAL 62 2.381 -0.443 2.270 475 HG12 VAL 62 2HG1 VAL 62 3.770 -0.502 3.407 476 HG13 VAL 62 3HG1 VAL 62 2.938 1.057 3.086 477 HG21 VAL 62 3HG2 VAL 62 4.203 1.307 -0.451 478 HG22 VAL 62 1HG2 VAL 62 2.631 0.598 0.049 479 HG23 VAL 62 2HG2 VAL 62 3.197 2.136 0.783 480 H LYS 63 H LYS 63 5.523 1.824 4.513 481 HA LYS 63 HA LYS 63 7.146 -0.542 5.216 482 HB2 LYS 63 2HB LYS 63 7.103 2.282 6.382 483 HB3 LYS 63 3HB LYS 63 7.964 0.920 7.110 484 HG2 LYS 63 2HG LYS 63 9.323 0.694 5.000 485 HG3 LYS 63 3HG LYS 63 8.500 2.117 4.346 486 HD2 LYS 63 2HD LYS 63 9.311 3.460 6.324 487 HD3 LYS 63 3HD LYS 63 10.184 2.038 6.908 488 HE2 LYS 63 2HE LYS 63 11.484 1.972 4.757 489 HE3 LYS 63 3HE LYS 63 10.631 3.422 4.210 490 HZ1 LYS 63 3HZ LYS 63 12.345 3.258 6.606 491 HZ2 LYS 63 1HZ LYS 63 12.750 3.957 5.187 492 HZ3 LYS 63 2HZ LYS 63 11.558 4.596 6.102 493 H VAL 64 H VAL 64 6.382 -1.887 6.835 494 HA VAL 64 HA VAL 64 3.835 -1.047 8.024 495 HB VAL 64 HB VAL 64 4.996 -3.833 7.506 496 HG11 VAL 64 1HG1 VAL 64 2.816 -4.677 8.320 497 HG12 VAL 64 2HG1 VAL 64 3.709 -3.787 9.600 498 HG13 VAL 64 3HG1 VAL 64 2.334 -3.002 8.752 499 HG21 VAL 64 3HG2 VAL 64 4.175 -2.707 5.480 500 HG22 VAL 64 1HG2 VAL 64 3.084 -4.055 5.948 501 HG23 VAL 64 2HG2 VAL 64 2.612 -2.357 6.292 502 H VAL 65 H VAL 65 3.579 -1.071 10.293 503 HA VAL 65 HA VAL 65 6.129 -1.085 11.668 504 HB VAL 65 HB VAL 65 4.920 0.056 13.471 505 HG11 VAL 65 1HG1 VAL 65 4.160 2.068 12.246 506 HG12 VAL 65 2HG1 VAL 65 5.691 1.414 11.572 507 HG13 VAL 65 3HG1 VAL 65 4.137 1.124 10.718 508 HG21 VAL 65 3HG2 VAL 65 2.816 -1.208 13.363 509 HG22 VAL 65 1HG2 VAL 65 2.505 0.558 13.277 510 HG23 VAL 65 2HG2 VAL 65 2.421 -0.442 11.788 511 HA PRO 66 HA PRO 66 5.299 -4.878 13.897 512 HB2 PRO 66 2HB PRO 66 6.813 -4.386 16.162 513 HB3 PRO 66 3HB PRO 66 7.593 -4.734 14.613 514 HG2 PRO 66 2HG PRO 66 7.072 -2.044 15.926 515 HG3 PRO 66 3HG PRO 66 8.546 -2.630 15.143 516 HD2 PRO 66 2HD PRO 66 6.801 -0.991 13.830 517 HD3 PRO 66 3HD PRO 66 7.712 -2.236 12.967 518 H LEU 67 H LEU 67 3.454 -5.455 14.794 519 HA LEU 67 HA LEU 67 2.182 -3.491 16.570 520 HB2 LEU 67 2HB LEU 67 1.117 -5.969 15.128 521 HB3 LEU 67 3HB LEU 67 0.154 -4.896 16.152 522 HG LEU 67 HG LEU 67 1.541 -4.082 13.543 523 HD11 LEU 67 1HD1 LEU 67 -0.758 -3.932 12.664 524 HD12 LEU 67 2HD1 LEU 67 -0.364 -5.601 13.197 525 HD13 LEU 67 3HD1 LEU 67 -1.398 -4.551 14.224 526 HD21 LEU 67 3HD2 LEU 67 1.411 -2.245 15.189 527 HD22 LEU 67 1HD2 LEU 67 0.269 -1.978 13.828 528 HD23 LEU 67 2HD2 LEU 67 -0.342 -2.562 15.413 529 H GLU 68 H GLU 68 3.897 -6.559 16.618 530 HA GLU 68 HA GLU 68 2.597 -7.581 18.956 531 HB2 GLU 68 2HB GLU 68 3.746 -9.010 17.282 532 HB3 GLU 68 3HB GLU 68 5.286 -8.222 17.651 533 HG2 GLU 68 2HG GLU 68 5.161 -9.079 19.993 534 HG3 GLU 68 3HG GLU 68 3.623 -9.869 19.622 535 H HIS 69 H HIS 69 3.001 -7.129 21.097 536 HA HIS 69 HA HIS 69 4.715 -5.022 21.822 537 HB2 HIS 69 2HB HIS 69 2.661 -5.883 23.060 538 HB3 HIS 69 3HB HIS 69 3.622 -7.274 23.578 539 HD2 HIS 69 HD2 HIS 69 3.116 -3.518 24.484 540 HE1 HIS 69 HE1 HIS 69 6.183 -5.084 27.027 541 H HIS 70 H HIS 70 6.825 -4.965 22.658 542 HA HIS 70 HA HIS 70 8.574 -6.990 21.860 543 HB2 HIS 70 2HB HIS 70 10.264 -5.712 22.994 544 HB3 HIS 70 3HB HIS 70 9.131 -4.566 22.266 545 HD2 HIS 70 HD2 HIS 70 7.920 -2.819 24.052 546 HE1 HIS 70 HE1 HIS 70 9.431 -4.617 27.632 547 H HIS 71 H HIS 71 10.175 -8.116 23.459 548 HA HIS 71 HA HIS 71 8.630 -9.132 25.756 549 HB2 HIS 71 2HB HIS 71 10.451 -10.712 23.874 550 HB3 HIS 71 3HB HIS 71 9.645 -11.350 25.312 551 HD2 HIS 71 HD2 HIS 71 8.936 -10.822 21.567 552 HE1 HIS 71 HE1 HIS 71 5.205 -11.807 23.416 553 H HIS 72 H HIS 72 10.069 -10.130 27.487 554 HA HIS 72 HA HIS 72 12.843 -9.406 27.456 555 HB2 HIS 72 2HB HIS 72 12.739 -7.833 29.341 556 HB3 HIS 72 3HB HIS 72 11.871 -7.195 27.939 557 HD2 HIS 72 HD2 HIS 72 11.185 -8.210 31.637 558 HE1 HIS 72 HE1 HIS 72 7.464 -7.012 29.891 559 H HIS 73 H HIS 73 13.771 -9.818 29.833 560 HA HIS 73 HA HIS 73 12.189 -11.981 31.064 561 HB2 HIS 73 2HB HIS 73 15.208 -11.894 30.569 562 HB3 HIS 73 3HB HIS 73 14.370 -13.124 31.526 563 HD2 HIS 73 HD2 HIS 73 15.206 -12.337 27.826 564 HE1 HIS 73 HE1 HIS 73 12.584 -15.720 27.859 565 H HIS 74 H HIS 74 12.385 -12.177 33.376 566 HA HIS 74 HA HIS 74 14.121 -10.441 34.831 567 HB2 HIS 74 2HB HIS 74 12.393 -8.801 34.079 568 HB3 HIS 74 3HB HIS 74 11.126 -9.811 34.787 569 HD2 HIS 74 HD2 HIS 74 10.558 -9.190 37.399 570 HE1 HIS 74 HE1 HIS 74 14.117 -6.969 38.251 Start of MODEL 18 1 H1 MET 1 1H MET 1 8.245 9.325 12.933 2 H2 MET 1 2H MET 1 8.242 8.621 11.460 3 H3 MET 1 3H MET 1 8.205 10.248 11.587 4 HA MET 1 HA MET 1 6.110 9.294 13.065 5 HB2 MET 1 2HB MET 1 6.299 10.756 10.392 6 HB3 MET 1 3HB MET 1 4.784 10.506 11.270 7 HG2 MET 1 2HG MET 1 5.669 11.789 13.198 8 HG3 MET 1 3HG MET 1 7.212 12.007 12.361 9 HE1 MET 1 3HE MET 1 3.540 12.949 12.730 10 HE2 MET 1 1HE MET 1 3.202 14.093 11.386 11 HE3 MET 1 2HE MET 1 3.358 12.335 11.052 12 H ALA 2 H ALA 2 4.084 8.231 12.222 13 HA ALA 2 HA ALA 2 4.398 6.555 9.887 14 HB1 ALA 2 3HB ALA 2 4.162 5.361 12.692 15 HB2 ALA 2 1HB ALA 2 4.004 4.455 11.150 16 HB3 ALA 2 2HB ALA 2 5.571 5.216 11.588 17 H MET 3 H MET 3 2.352 5.498 9.275 18 HA MET 3 HA MET 3 0.039 6.549 10.770 19 HB2 MET 3 2HB MET 3 0.493 6.455 7.751 20 HB3 MET 3 3HB MET 3 -1.075 6.762 8.508 21 HG2 MET 3 2HG MET 3 -0.172 8.802 9.592 22 HG3 MET 3 3HG MET 3 1.419 8.487 8.886 23 HE1 MET 3 3HE MET 3 0.851 7.859 5.570 24 HE2 MET 3 1HE MET 3 1.337 9.577 5.381 25 HE3 MET 3 2HE MET 3 2.077 8.571 6.672 26 H ASN 4 H ASN 4 -1.964 5.244 10.493 27 HA ASN 4 HA ASN 4 -1.196 2.429 10.147 28 HB2 ASN 4 2HB ASN 4 -3.397 3.751 11.775 29 HB3 ASN 4 3HB ASN 4 -3.256 2.004 11.537 30 HD21 ASN 4 1HD2 ASN 4 -3.188 3.445 13.993 31 HD22 ASN 4 2HD2 ASN 4 -1.680 3.048 14.748 32 H GLY 5 H GLY 5 -2.670 0.957 9.024 33 HA2 GLY 5 2HA GLY 5 -5.045 2.065 7.811 34 HA3 GLY 5 3HA GLY 5 -3.731 1.757 6.668 35 H THR 6 H THR 6 -5.508 0.195 5.804 36 HA THR 6 HA THR 6 -4.714 -2.406 6.819 37 HB THR 6 HB THR 6 -6.880 -1.913 7.960 38 HG1 THR 6 HG1 THR 6 -6.344 -4.100 7.253 39 HG21 THR 6 3HG2 THR 6 -7.965 -1.728 5.107 40 HG22 THR 6 1HG2 THR 6 -8.949 -1.739 6.610 41 HG23 THR 6 2HG2 THR 6 -7.829 -0.374 6.280 42 H ILE 7 H ILE 7 -4.503 -3.950 5.144 43 HA ILE 7 HA ILE 7 -4.807 -2.926 2.469 44 HB ILE 7 HB ILE 7 -3.813 -5.590 3.598 45 HG12 ILE 7 2HG1 ILE 7 -2.335 -3.288 2.240 46 HG13 ILE 7 3HG1 ILE 7 -2.416 -3.535 3.989 47 HG21 ILE 7 1HG2 ILE 7 -3.034 -6.080 1.303 48 HG22 ILE 7 2HG2 ILE 7 -4.823 -5.943 1.387 49 HG23 ILE 7 3HG2 ILE 7 -3.849 -4.593 0.713 50 HD11 ILE 7 3HD1 ILE 7 -1.204 -5.476 1.969 51 HD12 ILE 7 1HD1 ILE 7 -0.303 -4.383 3.073 52 HD13 ILE 7 2HD1 ILE 7 -1.287 -5.727 3.745 53 H THR 8 H THR 8 -6.504 -3.377 1.060 54 HA THR 8 HA THR 8 -8.710 -4.783 2.334 55 HB THR 8 HB THR 8 -10.096 -3.677 0.592 56 HG1 THR 8 HG1 THR 8 -9.014 -2.123 -0.820 57 HG21 THR 8 3HG2 THR 8 -8.137 -1.782 1.981 58 HG22 THR 8 1HG2 THR 8 -9.747 -1.335 1.323 59 HG23 THR 8 2HG2 THR 8 -9.627 -2.481 2.700 60 H THR 9 H THR 9 -6.504 -4.990 -0.494 61 HA THR 9 HA THR 9 -7.358 -7.705 -0.845 62 HB THR 9 HB THR 9 -8.998 -6.491 -2.280 63 HG1 THR 9 HG1 THR 9 -7.496 -7.498 -4.352 64 HG21 THR 9 3HG2 THR 9 -6.500 -5.484 -3.730 65 HG22 THR 9 1HG2 THR 9 -8.195 -5.268 -4.280 66 HG23 THR 9 2HG2 THR 9 -7.638 -4.488 -2.762 67 H TRP 10 H TRP 10 -5.845 -8.913 -2.307 68 HA TRP 10 HA TRP 10 -3.367 -7.451 -2.868 69 HB2 TRP 10 2HB TRP 10 -3.250 -8.452 -0.546 70 HB3 TRP 10 3HB TRP 10 -3.516 -10.048 -1.259 71 HD1 TRP 10 HD1 TRP 10 -1.510 -11.019 -2.890 72 HE1 TRP 10 HE1 TRP 10 1.033 -10.552 -2.863 73 HE3 TRP 10 HE3 TRP 10 -1.516 -6.695 -0.114 74 HZ2 TRP 10 HZ2 TRP 10 2.798 -8.628 -1.818 75 HZ3 TRP 10 HZ3 TRP 10 0.659 -5.584 0.367 76 HH2 TRP 10 HH2 TRP 10 2.764 -6.518 -0.466 77 H PHE 11 H PHE 11 -2.612 -7.981 -4.883 78 HA PHE 11 HA PHE 11 -3.615 -10.509 -6.031 79 HB2 PHE 11 2HB PHE 11 -2.758 -7.903 -7.381 80 HB3 PHE 11 3HB PHE 11 -3.239 -9.379 -8.229 81 HD1 PHE 11 HD1 PHE 11 -5.589 -10.164 -8.152 82 HD2 PHE 11 HD2 PHE 11 -4.395 -6.456 -6.342 83 HE1 PHE 11 HE1 PHE 11 -7.956 -9.447 -8.061 84 HE2 PHE 11 HE2 PHE 11 -6.762 -5.741 -6.250 85 HZ PHE 11 HZ PHE 11 -8.546 -7.230 -7.111 86 H LYS 12 H LYS 12 -1.857 -11.810 -5.173 87 HA LYS 12 HA LYS 12 0.833 -11.037 -5.353 88 HB2 LYS 12 2HB LYS 12 -0.056 -12.801 -3.851 89 HB3 LYS 12 3HB LYS 12 -0.458 -13.805 -5.251 90 HG2 LYS 12 2HG LYS 12 1.941 -13.978 -5.847 91 HG3 LYS 12 3HG LYS 12 2.371 -12.916 -4.499 92 HD2 LYS 12 2HD LYS 12 1.403 -14.560 -2.886 93 HD3 LYS 12 3HD LYS 12 0.950 -15.619 -4.228 94 HE2 LYS 12 2HE LYS 12 3.366 -15.787 -4.894 95 HE3 LYS 12 3HE LYS 12 3.805 -14.757 -3.525 96 HZ1 LYS 12 3HZ LYS 12 2.475 -17.383 -3.318 97 HZ2 LYS 12 1HZ LYS 12 4.047 -17.079 -2.996 98 HZ3 LYS 12 2HZ LYS 12 2.881 -16.431 -2.055 99 H ASP 13 H ASP 13 -1.357 -12.734 -7.674 100 HA ASP 13 HA ASP 13 0.701 -13.623 -9.389 101 HB2 ASP 13 2HB ASP 13 -2.272 -13.047 -9.749 102 HB3 ASP 13 3HB ASP 13 -1.260 -13.647 -11.069 103 H LYS 14 H LYS 14 -0.843 -10.452 -8.904 104 HA LYS 14 HA LYS 14 0.355 -9.512 -11.418 105 HB2 LYS 14 2HB LYS 14 -1.600 -8.135 -9.515 106 HB3 LYS 14 3HB LYS 14 -1.064 -7.531 -11.088 107 HG2 LYS 14 2HG LYS 14 -2.698 -10.077 -10.626 108 HG3 LYS 14 3HG LYS 14 -3.340 -8.527 -11.183 109 HD2 LYS 14 2HD LYS 14 -1.809 -8.644 -13.186 110 HD3 LYS 14 3HD LYS 14 -1.248 -10.230 -12.639 111 HE2 LYS 14 2HE LYS 14 -3.634 -11.064 -12.731 112 HE3 LYS 14 3HE LYS 14 -4.131 -9.492 -13.372 113 HZ1 LYS 14 3HZ LYS 14 -2.203 -11.320 -14.657 114 HZ2 LYS 14 1HZ LYS 14 -3.750 -11.080 -15.123 115 HZ3 LYS 14 2HZ LYS 14 -2.662 -9.869 -15.249 116 H GLY 15 H GLY 15 0.957 -9.686 -7.998 117 HA2 GLY 15 2HA GLY 15 2.676 -8.834 -6.813 118 HA3 GLY 15 3HA GLY 15 3.266 -8.025 -8.271 119 H PHE 16 H PHE 16 -0.106 -7.473 -7.232 120 HA PHE 16 HA PHE 16 0.730 -4.758 -6.428 121 HB2 PHE 16 2HB PHE 16 -1.619 -5.801 -8.049 122 HB3 PHE 16 3HB PHE 16 -1.734 -4.265 -7.181 123 HD1 PHE 16 HD1 PHE 16 -0.004 -2.447 -7.692 124 HD2 PHE 16 HD2 PHE 16 -0.519 -5.942 -10.135 125 HE1 PHE 16 HE1 PHE 16 1.132 -1.302 -9.570 126 HE2 PHE 16 HE2 PHE 16 0.615 -4.796 -12.014 127 HZ PHE 16 HZ PHE 16 1.442 -2.475 -11.736 128 H GLY 17 H GLY 17 -0.452 -3.750 -4.647 129 HA2 GLY 17 2HA GLY 17 -2.630 -5.379 -3.530 130 HA3 GLY 17 3HA GLY 17 -1.322 -4.854 -2.462 131 H PHE 18 H PHE 18 -4.123 -4.096 -2.156 132 HA PHE 18 HA PHE 18 -3.891 -1.205 -2.713 133 HB2 PHE 18 2HB PHE 18 -6.344 -3.026 -2.794 134 HB3 PHE 18 3HB PHE 18 -6.430 -1.259 -2.791 135 HD1 PHE 18 HD1 PHE 18 -5.153 -4.197 -4.711 136 HD2 PHE 18 HD2 PHE 18 -6.102 -0.008 -4.782 137 HE1 PHE 18 HE1 PHE 18 -4.895 -4.178 -7.173 138 HE2 PHE 18 HE2 PHE 18 -5.847 0.008 -7.244 139 HZ PHE 18 HZ PHE 18 -5.238 -2.078 -8.444 140 H ILE 19 H ILE 19 -4.425 0.210 -1.003 141 HA ILE 19 HA ILE 19 -5.039 -1.134 1.527 142 HB ILE 19 HB ILE 19 -2.578 -0.870 1.374 143 HG12 ILE 19 2HG1 ILE 19 -3.707 1.223 3.282 144 HG13 ILE 19 3HG1 ILE 19 -3.928 -0.514 3.532 145 HG21 ILE 19 1HG2 ILE 19 -1.572 1.388 1.284 146 HG22 ILE 19 2HG2 ILE 19 -2.504 1.011 -0.204 147 HG23 ILE 19 3HG2 ILE 19 -3.203 2.100 1.041 148 HD11 ILE 19 3HD1 ILE 19 -1.247 0.932 3.344 149 HD12 ILE 19 1HD1 ILE 19 -2.034 0.334 4.843 150 HD13 ILE 19 2HD1 ILE 19 -1.472 -0.831 3.597 151 H LYS 20 H LYS 20 -6.320 0.103 2.968 152 HA LYS 20 HA LYS 20 -7.399 2.552 1.781 153 HB2 LYS 20 2HB LYS 20 -8.946 0.716 2.432 154 HB3 LYS 20 3HB LYS 20 -8.349 0.796 4.095 155 HG2 LYS 20 2HG LYS 20 -9.192 3.145 4.274 156 HG3 LYS 20 3HG LYS 20 -9.809 3.043 2.620 157 HD2 LYS 20 2HD LYS 20 -11.277 1.133 3.275 158 HD3 LYS 20 3HD LYS 20 -10.647 1.205 4.926 159 HE2 LYS 20 2HE LYS 20 -11.497 3.553 5.143 160 HE3 LYS 20 3HE LYS 20 -12.136 3.471 3.496 161 HZ1 LYS 20 3HZ LYS 20 -12.964 1.731 5.731 162 HZ2 LYS 20 1HZ LYS 20 -13.821 2.981 5.125 163 HZ3 LYS 20 2HZ LYS 20 -13.554 1.655 4.211 164 H ASP 21 H ASP 21 -6.865 4.554 2.566 165 HA ASP 21 HA ASP 21 -5.177 4.673 4.919 166 HB2 ASP 21 2HB ASP 21 -6.197 6.759 2.932 167 HB3 ASP 21 3HB ASP 21 -5.156 7.142 4.309 168 H GLU 22 H GLU 22 -5.656 5.941 6.837 169 HA GLU 22 HA GLU 22 -8.391 6.066 7.594 170 HB2 GLU 22 2HB GLU 22 -5.837 7.287 8.742 171 HB3 GLU 22 3HB GLU 22 -7.420 7.416 9.519 172 HG2 GLU 22 2HG GLU 22 -5.918 4.817 8.929 173 HG3 GLU 22 3HG GLU 22 -6.063 5.601 10.508 174 H ASN 23 H ASN 23 -6.520 8.055 5.481 175 HA ASN 23 HA ASN 23 -8.058 10.436 6.022 176 HB2 ASN 23 2HB ASN 23 -6.125 9.630 3.822 177 HB3 ASN 23 3HB ASN 23 -7.001 11.166 3.823 178 HD21 ASN 23 1HD2 ASN 23 -4.218 10.888 3.848 179 HD22 ASN 23 2HD2 ASN 23 -3.641 11.644 5.295 180 H GLY 24 H GLY 24 -8.615 7.409 4.394 181 HA2 GLY 24 2HA GLY 24 -10.810 6.889 3.813 182 HA3 GLY 24 3HA GLY 24 -11.127 8.589 3.441 183 H ASP 25 H ASP 25 -8.086 7.928 2.101 184 HA ASP 25 HA ASP 25 -9.323 7.458 -0.515 185 HB2 ASP 25 2HB ASP 25 -6.573 8.443 0.374 186 HB3 ASP 25 3HB ASP 25 -6.980 8.083 -1.309 187 H ASN 26 H ASN 26 -8.808 5.666 -1.819 188 HA ASN 26 HA ASN 26 -7.273 3.569 -0.478 189 HB2 ASN 26 2HB ASN 26 -9.072 3.534 -2.930 190 HB3 ASN 26 3HB ASN 26 -8.170 2.138 -2.324 191 HD21 ASN 26 1HD2 ASN 26 -11.085 3.617 -2.341 192 HD22 ASN 26 2HD2 ASN 26 -11.784 2.875 -0.941 193 H ARG 27 H ARG 27 -5.224 2.981 -1.139 194 HA ARG 27 HA ARG 27 -4.296 4.193 -3.657 195 HB2 ARG 27 2HB ARG 27 -2.921 4.143 -0.968 196 HB3 ARG 27 3HB ARG 27 -2.051 4.384 -2.489 197 HG2 ARG 27 2HG ARG 27 -3.428 6.385 -2.972 198 HG3 ARG 27 3HG ARG 27 -4.329 6.138 -1.470 199 HD2 ARG 27 2HD ARG 27 -2.462 6.637 -0.131 200 HD3 ARG 27 3HD ARG 27 -1.336 6.473 -1.485 201 HE ARG 27 HE ARG 27 -1.925 8.619 -2.236 202 HH11 ARG 27 1HH1 ARG 27 -3.899 7.716 0.530 203 HH12 ARG 27 2HH1 ARG 27 -4.407 9.342 0.843 204 HH21 ARG 27 1HH2 ARG 27 -2.594 10.695 -1.829 205 HH22 ARG 27 2HH2 ARG 27 -3.659 11.053 -0.511 206 H TYR 28 H TYR 28 -2.779 2.963 -4.896 207 HA TYR 28 HA TYR 28 -2.659 0.141 -4.045 208 HB2 TYR 28 2HB TYR 28 -2.628 -0.423 -6.391 209 HB3 TYR 28 3HB TYR 28 -3.979 0.687 -6.126 210 HD1 TYR 28 HD1 TYR 28 -3.890 3.008 -6.977 211 HD2 TYR 28 HD2 TYR 28 -0.671 0.257 -7.696 212 HE1 TYR 28 HE1 TYR 28 -3.009 4.504 -8.742 213 HE2 TYR 28 HE2 TYR 28 0.214 1.752 -9.462 214 HH TYR 28 HH TYR 28 -0.031 3.641 -10.572 215 H PHE 29 H PHE 29 -0.672 -1.056 -4.474 216 HA PHE 29 HA PHE 29 1.642 0.516 -5.283 217 HB2 PHE 29 2HB PHE 29 2.921 -0.184 -3.269 218 HB3 PHE 29 3HB PHE 29 1.604 0.933 -2.889 219 HD1 PHE 29 HD1 PHE 29 -0.368 0.183 -1.646 220 HD2 PHE 29 HD2 PHE 29 2.834 -2.528 -2.570 221 HE1 PHE 29 HE1 PHE 29 -1.247 -1.422 0.020 222 HE2 PHE 29 HE2 PHE 29 1.950 -4.134 -0.905 223 HZ PHE 29 HZ PHE 29 -0.090 -3.586 0.390 224 H HIS 30 H HIS 30 3.527 -0.867 -5.798 225 HA HIS 30 HA HIS 30 2.703 -3.656 -6.271 226 HB2 HIS 30 2HB HIS 30 3.335 -2.148 -8.240 227 HB3 HIS 30 3HB HIS 30 4.974 -2.084 -7.578 228 HD2 HIS 30 HD2 HIS 30 2.784 -4.395 -9.763 229 HE1 HIS 30 HE1 HIS 30 6.368 -6.546 -8.837 230 H VAL 31 H VAL 31 4.167 -5.385 -5.721 231 HA VAL 31 HA VAL 31 5.442 -5.114 -3.313 232 HB VAL 31 HB VAL 31 5.876 -7.110 -5.589 233 HG11 VAL 31 1HG1 VAL 31 6.947 -8.571 -3.905 234 HG12 VAL 31 2HG1 VAL 31 7.878 -7.057 -4.166 235 HG13 VAL 31 3HG1 VAL 31 6.857 -7.241 -2.700 236 HG21 VAL 31 3HG2 VAL 31 3.618 -7.089 -4.616 237 HG22 VAL 31 1HG2 VAL 31 4.496 -8.589 -4.162 238 HG23 VAL 31 2HG2 VAL 31 4.313 -7.259 -2.969 239 H ILE 32 H ILE 32 6.782 -4.732 -6.661 240 HA ILE 32 HA ILE 32 9.466 -4.518 -5.753 241 HB ILE 32 HB ILE 32 8.041 -3.776 -8.351 242 HG12 ILE 32 2HG1 ILE 32 10.111 -5.933 -7.730 243 HG13 ILE 32 3HG1 ILE 32 8.365 -6.206 -7.692 244 HG21 ILE 32 1HG2 ILE 32 10.283 -3.416 -9.329 245 HG22 ILE 32 2HG2 ILE 32 9.922 -2.230 -8.029 246 HG23 ILE 32 3HG2 ILE 32 11.020 -3.612 -7.703 247 HD11 ILE 32 3HD1 ILE 32 9.975 -5.306 -10.124 248 HD12 ILE 32 1HD1 ILE 32 9.330 -6.955 -9.821 249 HD13 ILE 32 2HD1 ILE 32 8.201 -5.584 -10.085 250 H LYS 33 H LYS 33 6.711 -2.276 -5.991 251 HA LYS 33 HA LYS 33 8.464 0.037 -6.186 252 HB2 LYS 33 2HB LYS 33 5.439 -0.360 -6.164 253 HB3 LYS 33 3HB LYS 33 6.201 1.236 -6.166 254 HG2 LYS 33 2HG LYS 33 7.257 0.794 -8.334 255 HG3 LYS 33 3HG LYS 33 6.691 -0.882 -8.317 256 HD2 LYS 33 2HD LYS 33 4.356 -0.175 -8.451 257 HD3 LYS 33 3HD LYS 33 4.798 1.521 -8.209 258 HE2 LYS 33 2HE LYS 33 5.837 -0.126 -10.565 259 HE3 LYS 33 3HE LYS 33 4.314 0.769 -10.633 260 HZ1 LYS 33 3HZ LYS 33 6.990 1.913 -10.165 261 HZ2 LYS 33 1HZ LYS 33 6.053 2.113 -11.487 262 HZ3 LYS 33 2HZ LYS 33 5.605 2.771 -10.061 263 H VAL 34 H VAL 34 7.750 -1.960 -3.663 264 HA VAL 34 HA VAL 34 7.581 0.320 -1.814 265 HB VAL 34 HB VAL 34 6.431 -1.221 -0.216 266 HG11 VAL 34 1HG1 VAL 34 4.234 -1.238 -1.357 267 HG12 VAL 34 2HG1 VAL 34 5.113 0.306 -1.622 268 HG13 VAL 34 3HG1 VAL 34 5.051 -0.929 -2.926 269 HG21 VAL 34 3HG2 VAL 34 7.273 -3.356 -1.095 270 HG22 VAL 34 1HG2 VAL 34 5.478 -3.346 -1.052 271 HG23 VAL 34 2HG2 VAL 34 6.340 -3.114 -2.610 272 H ALA 35 H ALA 35 8.651 -0.113 0.354 273 HA ALA 35 HA ALA 35 11.257 -1.167 -0.214 274 HB1 ALA 35 3HB ALA 35 9.999 -0.016 2.326 275 HB2 ALA 35 1HB ALA 35 11.746 -0.353 2.082 276 HB3 ALA 35 2HB ALA 35 10.926 0.899 1.089 277 H ASN 36 H ASN 36 8.457 -2.144 1.892 278 HA ASN 36 HA ASN 36 9.988 -4.395 2.878 279 HB2 ASN 36 2HB ASN 36 7.268 -3.214 3.417 280 HB3 ASN 36 3HB ASN 36 7.604 -4.886 3.884 281 HD21 ASN 36 1HD2 ASN 36 10.203 -2.596 3.831 282 HD22 ASN 36 2HD2 ASN 36 10.308 -2.320 5.537 283 HA PRO 37 HA PRO 37 8.768 -7.178 -0.201 284 HB2 PRO 37 2HB PRO 37 8.980 -9.586 1.171 285 HB3 PRO 37 3HB PRO 37 10.412 -8.614 0.805 286 HG2 PRO 37 2HG PRO 37 8.797 -8.735 3.378 287 HG3 PRO 37 3HG PRO 37 10.552 -8.788 3.168 288 HD2 PRO 37 2HD PRO 37 9.320 -6.473 3.877 289 HD3 PRO 37 3HD PRO 37 10.716 -6.446 2.791 290 H ASP 38 H ASP 38 7.409 -9.306 -0.636 291 HA ASP 38 HA ASP 38 4.741 -8.384 -0.322 292 HB2 ASP 38 2HB ASP 38 4.159 -10.325 -1.645 293 HB3 ASP 38 3HB ASP 38 5.616 -9.588 -2.325 294 H LEU 39 H LEU 39 6.647 -9.652 2.048 295 HA LEU 39 HA LEU 39 4.762 -11.539 3.149 296 HB2 LEU 39 2HB LEU 39 7.182 -10.084 4.327 297 HB3 LEU 39 3HB LEU 39 6.271 -11.361 5.145 298 HG LEU 39 HG LEU 39 7.803 -11.714 2.514 299 HD11 LEU 39 1HD1 LEU 39 9.389 -13.012 3.888 300 HD12 LEU 39 2HD1 LEU 39 9.296 -11.302 4.428 301 HD13 LEU 39 3HD1 LEU 39 8.462 -12.586 5.366 302 HD21 LEU 39 3HD2 LEU 39 5.846 -13.201 2.734 303 HD22 LEU 39 1HD2 LEU 39 7.379 -14.119 2.909 304 HD23 LEU 39 2HD2 LEU 39 6.408 -13.709 4.363 305 H ILE 40 H ILE 40 4.640 -8.184 2.715 306 HA ILE 40 HA ILE 40 3.548 -7.629 5.341 307 HB ILE 40 HB ILE 40 3.371 -5.317 4.538 308 HG12 ILE 40 2HG1 ILE 40 4.355 -6.379 1.848 309 HG13 ILE 40 3HG1 ILE 40 2.681 -5.930 2.197 310 HG21 ILE 40 1HG2 ILE 40 5.758 -4.872 4.065 311 HG22 ILE 40 2HG2 ILE 40 5.551 -6.081 5.376 312 HG23 ILE 40 3HG2 ILE 40 6.012 -6.617 3.725 313 HD11 ILE 40 3HD1 ILE 40 5.089 -4.059 2.316 314 HD12 ILE 40 1HD1 ILE 40 3.852 -4.126 1.016 315 HD13 ILE 40 2HD1 ILE 40 3.388 -3.603 2.670 316 H LYS 41 H LYS 41 2.280 -9.421 2.992 317 HA LYS 41 HA LYS 41 -0.138 -7.966 2.413 318 HB2 LYS 41 2HB LYS 41 -0.731 -9.867 1.119 319 HB3 LYS 41 3HB LYS 41 1.009 -9.651 0.886 320 HG2 LYS 41 2HG LYS 41 1.020 -11.911 1.257 321 HG3 LYS 41 3HG LYS 41 1.122 -11.395 2.945 322 HD2 LYS 41 2HD LYS 41 -1.441 -11.468 3.022 323 HD3 LYS 41 3HD LYS 41 -1.401 -12.211 1.418 324 HE2 LYS 41 2HE LYS 41 -0.098 -13.316 3.960 325 HE3 LYS 41 3HE LYS 41 -1.555 -13.940 3.175 326 HZ1 LYS 41 3HZ LYS 41 1.179 -13.957 2.077 327 HZ2 LYS 41 1HZ LYS 41 0.276 -15.247 2.511 328 HZ3 LYS 41 2HZ LYS 41 -0.140 -14.361 1.204 329 H LYS 42 H LYS 42 -1.392 -7.536 4.244 330 HA LYS 42 HA LYS 42 -2.807 -9.692 5.404 331 HB2 LYS 42 2HB LYS 42 -1.988 -9.521 7.698 332 HB3 LYS 42 3HB LYS 42 -0.690 -10.044 6.616 333 HG2 LYS 42 2HG LYS 42 0.238 -7.735 6.597 334 HG3 LYS 42 3HG LYS 42 -1.072 -7.191 7.652 335 HD2 LYS 42 2HD LYS 42 -0.330 -8.759 9.430 336 HD3 LYS 42 3HD LYS 42 0.938 -9.392 8.371 337 HE2 LYS 42 2HE LYS 42 1.949 -7.087 8.244 338 HE3 LYS 42 3HE LYS 42 0.707 -6.500 9.359 339 HZ1 LYS 42 3HZ LYS 42 2.682 -8.606 9.969 340 HZ2 LYS 42 1HZ LYS 42 2.730 -7.065 10.506 341 HZ3 LYS 42 2HZ LYS 42 1.536 -8.063 10.998 342 H ASP 43 H ASP 43 -4.290 -8.843 7.232 343 HA ASP 43 HA ASP 43 -5.407 -6.390 6.292 344 HB2 ASP 43 2HB ASP 43 -6.038 -8.304 8.578 345 HB3 ASP 43 3HB ASP 43 -6.952 -6.813 8.314 346 H ALA 44 H ALA 44 -3.239 -7.336 8.990 347 HA ALA 44 HA ALA 44 -3.859 -4.917 10.460 348 HB1 ALA 44 3HB ALA 44 -1.846 -7.174 10.922 349 HB2 ALA 44 1HB ALA 44 -2.215 -5.847 12.074 350 HB3 ALA 44 2HB ALA 44 -3.484 -7.044 11.646 351 H ALA 45 H ALA 45 -2.028 -5.494 7.708 352 HA ALA 45 HA ALA 45 0.412 -4.248 8.335 353 HB1 ALA 45 3HB ALA 45 -1.165 -4.402 5.718 354 HB2 ALA 45 1HB ALA 45 0.563 -3.938 5.874 355 HB3 ALA 45 2HB ALA 45 0.037 -5.599 6.309 356 H VAL 46 H VAL 46 1.155 -2.061 7.510 357 HA VAL 46 HA VAL 46 -0.987 -0.151 8.156 358 HB VAL 46 HB VAL 46 0.791 1.261 9.163 359 HG11 VAL 46 1HG1 VAL 46 1.223 -0.132 11.164 360 HG12 VAL 46 2HG1 VAL 46 -0.472 -0.290 10.592 361 HG13 VAL 46 3HG1 VAL 46 0.716 -1.593 10.251 362 HG21 VAL 46 3HG2 VAL 46 2.691 0.489 7.812 363 HG22 VAL 46 1HG2 VAL 46 3.042 0.318 9.564 364 HG23 VAL 46 2HG2 VAL 46 2.606 -1.127 8.590 365 H THR 47 H THR 47 -0.366 2.197 7.369 366 HA THR 47 HA THR 47 0.397 1.849 4.566 367 HB THR 47 HB THR 47 -1.889 2.778 5.179 368 HG1 THR 47 HG1 THR 47 -1.698 4.522 3.612 369 HG21 THR 47 3HG2 THR 47 -0.206 5.160 6.103 370 HG22 THR 47 1HG2 THR 47 -1.993 5.141 5.923 371 HG23 THR 47 2HG2 THR 47 -1.203 4.096 7.152 372 H PHE 48 H PHE 48 0.779 4.827 4.197 373 HA PHE 48 HA PHE 48 3.345 5.277 5.371 374 HB2 PHE 48 2HB PHE 48 3.665 3.174 3.927 375 HB3 PHE 48 3HB PHE 48 3.295 4.181 2.521 376 HD1 PHE 48 HD1 PHE 48 5.614 3.956 5.465 377 HD2 PHE 48 HD2 PHE 48 4.991 5.417 1.473 378 HE1 PHE 48 HE1 PHE 48 7.979 4.674 5.357 379 HE2 PHE 48 HE2 PHE 48 7.357 6.134 1.365 380 HZ PHE 48 HZ PHE 48 8.856 5.764 3.309 381 H GLU 49 H GLU 49 4.603 6.960 3.914 382 HA GLU 49 HA GLU 49 2.994 9.168 3.517 383 HB2 GLU 49 2HB GLU 49 5.460 9.195 3.804 384 HB3 GLU 49 3HB GLU 49 5.664 8.443 2.217 385 HG2 GLU 49 2HG GLU 49 4.641 10.433 1.131 386 HG3 GLU 49 3HG GLU 49 4.400 11.183 2.714 387 HA PRO 50 HA PRO 50 0.917 8.025 -0.170 388 HB2 PRO 50 2HB PRO 50 -0.440 10.444 -0.532 389 HB3 PRO 50 3HB PRO 50 -0.888 9.331 0.768 390 HG2 PRO 50 2HG PRO 50 0.871 11.800 0.889 391 HG3 PRO 50 3HG PRO 50 -0.408 11.291 1.999 392 HD2 PRO 50 2HD PRO 50 2.214 10.871 2.597 393 HD3 PRO 50 3HD PRO 50 0.976 9.705 3.084 394 H THR 51 H THR 51 0.791 8.333 -2.435 395 HA THR 51 HA THR 51 2.447 10.526 -3.437 396 HB THR 51 HB THR 51 3.443 9.018 -5.136 397 HG1 THR 51 HG1 THR 51 1.884 7.052 -3.682 398 HG21 THR 51 3HG2 THR 51 3.821 8.024 -2.267 399 HG22 THR 51 1HG2 THR 51 4.955 7.754 -3.633 400 HG23 THR 51 2HG2 THR 51 4.662 9.419 -3.025 401 H THR 52 H THR 52 2.009 10.956 -5.837 402 HA THR 52 HA THR 52 -0.672 10.048 -6.585 403 HB THR 52 HB THR 52 0.311 12.950 -6.610 404 HG1 THR 52 HG1 THR 52 -1.459 13.206 -5.066 405 HG21 THR 52 3HG2 THR 52 -2.359 11.718 -7.453 406 HG22 THR 52 1HG2 THR 52 -1.984 13.473 -7.388 407 HG23 THR 52 2HG2 THR 52 -1.118 12.413 -8.550 408 H ASN 53 H ASN 53 -0.792 9.445 -8.743 409 HA ASN 53 HA ASN 53 1.189 10.649 -10.551 410 HB2 ASN 53 2HB ASN 53 1.360 8.500 -11.733 411 HB3 ASN 53 3HB ASN 53 1.982 8.421 -10.079 412 HD21 ASN 53 1HD2 ASN 53 1.655 6.440 -9.416 413 HD22 ASN 53 2HD2 ASN 53 0.132 5.615 -9.400 414 H ASN 54 H ASN 54 0.334 9.601 -12.976 415 HA ASN 54 HA ASN 54 -2.003 11.205 -13.327 416 HB2 ASN 54 2HB ASN 54 -0.305 9.512 -15.188 417 HB3 ASN 54 3HB ASN 54 -1.751 10.375 -15.730 418 HD21 ASN 54 1HD2 ASN 54 0.784 10.816 -16.750 419 HD22 ASN 54 2HD2 ASN 54 1.218 12.456 -16.403 420 H LYS 55 H LYS 55 -1.478 7.871 -12.494 421 HA LYS 55 HA LYS 55 -3.970 7.014 -13.760 422 HB2 LYS 55 2HB LYS 55 -1.846 5.534 -12.136 423 HB3 LYS 55 3HB LYS 55 -3.291 4.784 -12.827 424 HG2 LYS 55 2HG LYS 55 -2.524 5.363 -15.115 425 HG3 LYS 55 3HG LYS 55 -1.102 6.177 -14.448 426 HD2 LYS 55 2HD LYS 55 -0.384 4.008 -13.388 427 HD3 LYS 55 3HD LYS 55 -1.782 3.206 -14.116 428 HE2 LYS 55 2HE LYS 55 -0.959 3.844 -16.394 429 HE3 LYS 55 3HE LYS 55 0.440 4.642 -15.664 430 HZ1 LYS 55 3HZ LYS 55 -0.193 1.770 -15.429 431 HZ2 LYS 55 1HZ LYS 55 0.964 2.419 -16.381 432 HZ3 LYS 55 2HZ LYS 55 1.099 2.506 -14.756 433 H GLY 56 H GLY 56 -3.052 8.619 -10.896 434 HA2 GLY 56 2HA GLY 56 -5.097 9.088 -9.560 435 HA3 GLY 56 3HA GLY 56 -5.285 7.334 -9.433 436 H LEU 57 H LEU 57 -5.226 7.848 -7.017 437 HA LEU 57 HA LEU 57 -2.703 8.720 -5.939 438 HB2 LEU 57 2HB LEU 57 -5.189 7.494 -4.650 439 HB3 LEU 57 3HB LEU 57 -3.820 8.185 -3.769 440 HG LEU 57 HG LEU 57 -5.658 9.739 -5.667 441 HD11 LEU 57 1HD1 LEU 57 -6.495 10.791 -3.599 442 HD12 LEU 57 2HD1 LEU 57 -6.796 9.020 -3.606 443 HD13 LEU 57 3HD1 LEU 57 -5.457 9.699 -2.621 444 HD21 LEU 57 3HD2 LEU 57 -3.349 10.612 -5.596 445 HD22 LEU 57 1HD2 LEU 57 -4.485 11.716 -4.751 446 HD23 LEU 57 2HD2 LEU 57 -3.408 10.638 -3.802 447 H SER 58 H SER 58 -1.120 7.464 -4.860 448 HA SER 58 HA SER 58 -1.410 4.562 -4.989 449 HB2 SER 58 2HB SER 58 0.588 4.286 -6.344 450 HB3 SER 58 3HB SER 58 -0.607 5.234 -7.239 451 HG SER 58 HG SER 58 1.386 6.538 -5.650 452 H ALA 59 H ALA 59 0.815 3.550 -4.170 453 HA ALA 59 HA ALA 59 1.978 5.342 -2.146 454 HB1 ALA 59 3HB ALA 59 0.988 2.478 -1.730 455 HB2 ALA 59 1HB ALA 59 1.907 3.453 -0.534 456 HB3 ALA 59 2HB ALA 59 0.261 3.967 -1.036 457 H TYR 60 H TYR 60 4.202 5.160 -1.901 458 HA TYR 60 HA TYR 60 5.463 2.865 -3.255 459 HB2 TYR 60 2HB TYR 60 6.106 5.834 -3.414 460 HB3 TYR 60 3HB TYR 60 7.363 4.618 -3.674 461 HD1 TYR 60 HD1 TYR 60 4.078 5.863 -4.940 462 HD2 TYR 60 HD2 TYR 60 7.513 3.416 -5.735 463 HE1 TYR 60 HE1 TYR 60 3.359 5.626 -7.297 464 HE2 TYR 60 HE2 TYR 60 6.804 3.178 -8.094 465 HH TYR 60 HH TYR 60 5.274 4.766 -9.729 466 H ALA 61 H ALA 61 7.567 2.220 -2.343 467 HA ALA 61 HA ALA 61 8.960 1.778 -0.672 468 HB1 ALA 61 3HB ALA 61 8.511 4.740 -0.057 469 HB2 ALA 61 1HB ALA 61 9.850 3.728 0.581 470 HB3 ALA 61 2HB ALA 61 9.735 4.059 -1.181 471 H VAL 62 H VAL 62 6.392 0.877 -0.071 472 HA VAL 62 HA VAL 62 5.516 2.017 2.405 473 HB VAL 62 HB VAL 62 4.663 -0.478 0.850 474 HG11 VAL 62 1HG1 VAL 62 2.661 -0.473 2.309 475 HG12 VAL 62 2HG1 VAL 62 4.170 -0.737 3.246 476 HG13 VAL 62 3HG1 VAL 62 3.369 0.871 3.268 477 HG21 VAL 62 3HG2 VAL 62 4.220 1.637 -0.320 478 HG22 VAL 62 1HG2 VAL 62 2.690 0.892 0.256 479 HG23 VAL 62 2HG2 VAL 62 3.398 2.287 1.139 480 H LYS 63 H LYS 63 6.046 1.354 4.478 481 HA LYS 63 HA LYS 63 7.402 -1.249 4.730 482 HB2 LYS 63 2HB LYS 63 9.026 -0.293 6.219 483 HB3 LYS 63 3HB LYS 63 9.046 0.644 4.720 484 HG2 LYS 63 2HG LYS 63 7.670 2.418 5.803 485 HG3 LYS 63 3HG LYS 63 7.629 1.479 7.301 486 HD2 LYS 63 2HD LYS 63 10.175 1.546 7.336 487 HD3 LYS 63 3HD LYS 63 10.121 2.625 5.935 488 HE2 LYS 63 2HE LYS 63 8.723 4.244 7.252 489 HE3 LYS 63 3HE LYS 63 8.816 3.171 8.654 490 HZ1 LYS 63 3HZ LYS 63 11.126 4.444 7.331 491 HZ2 LYS 63 1HZ LYS 63 10.468 4.901 8.753 492 HZ3 LYS 63 2HZ LYS 63 11.212 3.453 8.626 493 H VAL 64 H VAL 64 6.986 -2.388 6.696 494 HA VAL 64 HA VAL 64 4.603 -1.394 8.051 495 HB VAL 64 HB VAL 64 5.979 -4.130 8.035 496 HG11 VAL 64 1HG1 VAL 64 3.978 -4.928 9.254 497 HG12 VAL 64 2HG1 VAL 64 4.894 -3.706 10.200 498 HG13 VAL 64 3HG1 VAL 64 3.375 -3.240 9.361 499 HG21 VAL 64 3HG2 VAL 64 4.866 -3.559 5.918 500 HG22 VAL 64 1HG2 VAL 64 3.962 -4.843 6.789 501 HG23 VAL 64 2HG2 VAL 64 3.359 -3.151 6.805 502 H VAL 65 H VAL 65 4.591 -0.780 10.223 503 HA VAL 65 HA VAL 65 7.250 -0.637 11.417 504 HB VAL 65 HB VAL 65 6.283 1.105 12.863 505 HG11 VAL 65 1HG1 VAL 65 5.765 2.794 11.130 506 HG12 VAL 65 2HG1 VAL 65 7.164 1.768 10.667 507 HG13 VAL 65 3HG1 VAL 65 5.555 1.483 9.921 508 HG21 VAL 65 3HG2 VAL 65 4.018 0.177 13.100 509 HG22 VAL 65 1HG2 VAL 65 3.954 1.879 12.529 510 HG23 VAL 65 2HG2 VAL 65 3.678 0.533 11.373 511 HA PRO 66 HA PRO 66 6.241 -3.522 14.659 512 HB2 PRO 66 2HB PRO 66 7.631 -2.333 16.771 513 HB3 PRO 66 3HB PRO 66 8.469 -3.213 15.486 514 HG2 PRO 66 2HG PRO 66 8.021 -0.223 15.772 515 HG3 PRO 66 3HG PRO 66 9.499 -1.086 15.326 516 HD2 PRO 66 2HD PRO 66 7.957 0.059 13.413 517 HD3 PRO 66 3HD PRO 66 8.757 -1.487 13.101 518 H LEU 67 H LEU 67 4.202 -3.685 15.296 519 HA LEU 67 HA LEU 67 2.994 -1.365 16.607 520 HB2 LEU 67 2HB LEU 67 1.849 -4.045 15.678 521 HB3 LEU 67 3HB LEU 67 0.909 -2.722 16.382 522 HG LEU 67 HG LEU 67 2.472 -2.569 13.749 523 HD11 LEU 67 1HD1 LEU 67 0.233 -2.536 12.710 524 HD12 LEU 67 2HD1 LEU 67 0.514 -4.059 13.621 525 HD13 LEU 67 3HD1 LEU 67 -0.521 -2.770 14.323 526 HD21 LEU 67 3HD2 LEU 67 2.339 -0.409 14.941 527 HD22 LEU 67 1HD2 LEU 67 1.290 -0.411 13.483 528 HD23 LEU 67 2HD2 LEU 67 0.562 -0.608 15.112 529 H GLU 68 H GLU 68 4.626 -4.333 17.432 530 HA GLU 68 HA GLU 68 3.214 -5.023 19.757 531 HB2 GLU 68 2HB GLU 68 4.903 -6.445 18.606 532 HB3 GLU 68 3HB GLU 68 6.177 -5.309 19.066 533 HG2 GLU 68 2HG GLU 68 5.754 -5.783 21.470 534 HG3 GLU 68 3HG GLU 68 4.443 -6.887 21.033 535 H HIS 69 H HIS 69 3.129 -4.135 21.800 536 HA HIS 69 HA HIS 69 4.290 -1.627 22.320 537 HB2 HIS 69 2HB HIS 69 2.215 -2.653 23.383 538 HB3 HIS 69 3HB HIS 69 3.282 -3.708 24.319 539 HD2 HIS 69 HD2 HIS 69 1.998 -0.028 24.331 540 HE1 HIS 69 HE1 HIS 69 4.733 -0.481 27.593 541 H HIS 70 H HIS 70 6.170 -1.002 23.429 542 HA HIS 70 HA HIS 70 8.348 -2.748 23.352 543 HB2 HIS 70 2HB HIS 70 9.555 -0.977 24.465 544 HB3 HIS 70 3HB HIS 70 8.438 -0.241 23.308 545 HD2 HIS 70 HD2 HIS 70 6.603 1.534 24.411 546 HE1 HIS 70 HE1 HIS 70 7.607 0.815 28.510 547 H HIS 71 H HIS 71 9.789 -3.183 25.405 548 HA HIS 71 HA HIS 71 8.016 -4.123 27.565 549 HB2 HIS 71 2HB HIS 71 10.401 -5.582 26.321 550 HB3 HIS 71 3HB HIS 71 9.483 -6.129 27.730 551 HD2 HIS 71 HD2 HIS 71 9.335 -6.333 23.880 552 HE1 HIS 71 HE1 HIS 71 5.612 -7.832 25.368 553 H HIS 72 H HIS 72 9.157 -4.425 29.686 554 HA HIS 72 HA HIS 72 11.750 -3.290 30.026 555 HB2 HIS 72 2HB HIS 72 11.083 -1.310 31.306 556 HB3 HIS 72 3HB HIS 72 10.502 -1.197 29.640 557 HD2 HIS 72 HD2 HIS 72 9.097 -1.255 33.265 558 HE1 HIS 72 HE1 HIS 72 5.767 -1.186 30.574 559 H HIS 73 H HIS 73 12.099 -2.914 32.568 560 HA HIS 73 HA HIS 73 10.472 -4.911 34.001 561 HB2 HIS 73 2HB HIS 73 13.495 -4.471 34.153 562 HB3 HIS 73 3HB HIS 73 12.568 -5.532 35.222 563 HD2 HIS 73 HD2 HIS 73 14.212 -5.592 31.714 564 HE1 HIS 73 HE1 HIS 73 12.008 -9.234 32.164 565 H HIS 74 H HIS 74 10.117 -4.481 36.266 566 HA HIS 74 HA HIS 74 11.260 -2.157 37.476 567 HB2 HIS 74 2HB HIS 74 9.577 -1.094 35.973 568 HB3 HIS 74 3HB HIS 74 8.307 -2.106 36.673 569 HD2 HIS 74 HD2 HIS 74 7.071 -0.981 38.851 570 HE1 HIS 74 HE1 HIS 74 10.017 2.005 39.701 Start of MODEL 19 1 H1 MET 1 1H MET 1 6.883 5.583 5.779 2 H2 MET 1 2H MET 1 5.854 6.846 5.678 3 H3 MET 1 3H MET 1 7.262 7.003 6.490 4 HA MET 1 HA MET 1 5.173 5.116 7.237 5 HB2 MET 1 2HB MET 1 7.583 6.252 8.732 6 HB3 MET 1 3HB MET 1 6.377 5.159 9.423 7 HG2 MET 1 2HG MET 1 7.018 3.403 7.784 8 HG3 MET 1 3HG MET 1 8.213 4.496 7.073 9 HE1 MET 1 3HE MET 1 7.264 2.159 10.028 10 HE2 MET 1 1HE MET 1 8.473 2.568 11.291 11 HE3 MET 1 2HE MET 1 7.183 3.744 10.869 12 H ALA 2 H ALA 2 3.920 7.312 6.382 13 HA ALA 2 HA ALA 2 3.886 9.265 8.577 14 HB1 ALA 2 3HB ALA 2 2.773 9.345 5.729 15 HB2 ALA 2 1HB ALA 2 2.688 10.681 6.926 16 HB3 ALA 2 2HB ALA 2 4.281 10.132 6.305 17 H MET 3 H MET 3 1.863 6.848 6.836 18 HA MET 3 HA MET 3 -0.170 7.206 8.908 19 HB2 MET 3 2HB MET 3 -1.967 7.324 7.251 20 HB3 MET 3 3HB MET 3 -0.874 8.705 7.089 21 HG2 MET 3 2HG MET 3 0.255 7.555 5.166 22 HG3 MET 3 3HG MET 3 -0.894 6.219 5.312 23 HE1 MET 3 3HE MET 3 -0.485 9.919 5.216 24 HE2 MET 3 1HE MET 3 -1.527 10.484 3.866 25 HE3 MET 3 2HE MET 3 -2.214 10.302 5.516 26 H ASN 4 H ASN 4 -1.850 5.374 8.767 27 HA ASN 4 HA ASN 4 -0.405 2.949 7.962 28 HB2 ASN 4 2HB ASN 4 -2.591 3.447 10.014 29 HB3 ASN 4 3HB ASN 4 -2.057 1.834 9.525 30 HD21 ASN 4 1HD2 ASN 4 0.276 1.381 9.751 31 HD22 ASN 4 2HD2 ASN 4 1.151 2.096 11.063 32 H GLY 5 H GLY 5 -1.776 1.095 7.113 33 HA2 GLY 5 2HA GLY 5 -4.010 2.198 5.509 34 HA3 GLY 5 3HA GLY 5 -2.820 1.044 4.892 35 H THR 6 H THR 6 -5.686 0.569 4.870 36 HA THR 6 HA THR 6 -5.671 -1.765 6.658 37 HB THR 6 HB THR 6 -8.058 -0.187 5.561 38 HG1 THR 6 HG1 THR 6 -8.383 0.234 7.863 39 HG21 THR 6 3HG2 THR 6 -7.949 -2.647 7.375 40 HG22 THR 6 1HG2 THR 6 -9.426 -1.720 6.945 41 HG23 THR 6 2HG2 THR 6 -8.521 -2.608 5.673 42 H ILE 7 H ILE 7 -6.188 -3.808 5.718 43 HA ILE 7 HA ILE 7 -5.670 -3.944 2.923 44 HB ILE 7 HB ILE 7 -4.854 -5.652 4.537 45 HG12 ILE 7 2HG1 ILE 7 -6.872 -6.815 2.559 46 HG13 ILE 7 3HG1 ILE 7 -5.282 -6.184 2.109 47 HG21 ILE 7 1HG2 ILE 7 -6.434 -7.288 5.507 48 HG22 ILE 7 2HG2 ILE 7 -6.755 -5.621 6.093 49 HG23 ILE 7 3HG2 ILE 7 -7.811 -6.349 4.837 50 HD11 ILE 7 3HD1 ILE 7 -5.802 -8.522 4.002 51 HD12 ILE 7 1HD1 ILE 7 -5.242 -8.631 2.299 52 HD13 ILE 7 2HD1 ILE 7 -4.188 -7.882 3.546 53 H THR 8 H THR 8 -7.150 -4.059 1.216 54 HA THR 8 HA THR 8 -9.891 -4.808 1.924 55 HB THR 8 HB THR 8 -8.716 -3.760 -0.704 56 HG1 THR 8 HG1 THR 8 -9.926 -1.827 -0.081 57 HG21 THR 8 3HG2 THR 8 -11.608 -4.243 0.168 58 HG22 THR 8 1HG2 THR 8 -11.086 -3.481 -1.373 59 HG23 THR 8 2HG2 THR 8 -10.691 -5.202 -1.043 60 H THR 9 H THR 9 -7.355 -5.581 -0.628 61 HA THR 9 HA THR 9 -7.990 -8.385 -0.121 62 HB THR 9 HB THR 9 -7.889 -8.902 -2.533 63 HG1 THR 9 HG1 THR 9 -8.184 -6.145 -3.219 64 HG21 THR 9 3HG2 THR 9 -9.919 -6.709 -1.879 65 HG22 THR 9 1HG2 THR 9 -10.050 -7.899 -3.218 66 HG23 THR 9 2HG2 THR 9 -10.093 -8.459 -1.512 67 H TRP 10 H TRP 10 -6.170 -9.846 -0.564 68 HA TRP 10 HA TRP 10 -3.674 -8.461 -1.306 69 HB2 TRP 10 2HB TRP 10 -3.776 -8.995 1.150 70 HB3 TRP 10 3HB TRP 10 -4.019 -10.700 0.749 71 HD1 TRP 10 HD1 TRP 10 -1.490 -8.587 -1.270 72 HE1 TRP 10 HE1 TRP 10 0.895 -9.461 -0.782 73 HE3 TRP 10 HE3 TRP 10 -2.602 -11.885 2.509 74 HZ2 TRP 10 HZ2 TRP 10 2.140 -11.291 0.957 75 HZ3 TRP 10 HZ3 TRP 10 -0.745 -13.178 3.548 76 HH2 TRP 10 HH2 TRP 10 1.567 -12.887 2.800 77 H PHE 11 H PHE 11 -2.870 -9.269 -3.199 78 HA PHE 11 HA PHE 11 -3.536 -12.073 -3.836 79 HB2 PHE 11 2HB PHE 11 -2.730 -9.761 -5.668 80 HB3 PHE 11 3HB PHE 11 -3.095 -11.412 -6.187 81 HD1 PHE 11 HD1 PHE 11 -5.442 -12.319 -5.855 82 HD2 PHE 11 HD2 PHE 11 -4.459 -8.175 -5.289 83 HE1 PHE 11 HE1 PHE 11 -7.835 -11.723 -6.064 84 HE2 PHE 11 HE2 PHE 11 -6.855 -7.582 -5.492 85 HZ PHE 11 HZ PHE 11 -8.545 -9.352 -5.882 86 H LYS 12 H LYS 12 -1.753 -12.946 -2.546 87 HA LYS 12 HA LYS 12 0.838 -11.862 -2.679 88 HB2 LYS 12 2HB LYS 12 -0.040 -13.272 -0.829 89 HB3 LYS 12 3HB LYS 12 -0.137 -14.659 -1.922 90 HG2 LYS 12 2HG LYS 12 2.336 -14.603 -2.226 91 HG3 LYS 12 3HG LYS 12 2.442 -13.201 -1.153 92 HD2 LYS 12 2HD LYS 12 1.464 -14.541 0.712 93 HD3 LYS 12 3HD LYS 12 1.322 -15.942 -0.358 94 HE2 LYS 12 2HE LYS 12 3.818 -15.885 -0.716 95 HE3 LYS 12 3HE LYS 12 3.931 -14.535 0.420 96 HZ1 LYS 12 3HZ LYS 12 2.908 -17.224 1.072 97 HZ2 LYS 12 1HZ LYS 12 4.369 -16.630 1.491 98 HZ3 LYS 12 2HZ LYS 12 3.012 -15.977 2.121 99 H ASP 13 H ASP 13 -0.794 -14.528 -4.528 100 HA ASP 13 HA ASP 13 1.619 -15.447 -5.711 101 HB2 ASP 13 2HB ASP 13 -1.344 -15.782 -6.353 102 HB3 ASP 13 3HB ASP 13 -0.073 -16.525 -7.334 103 H LYS 14 H LYS 14 -0.559 -12.734 -6.386 104 HA LYS 14 HA LYS 14 0.490 -12.516 -9.112 105 HB2 LYS 14 2HB LYS 14 -1.631 -10.879 -7.641 106 HB3 LYS 14 3HB LYS 14 -1.225 -10.765 -9.359 107 HG2 LYS 14 2HG LYS 14 -2.394 -13.236 -7.984 108 HG3 LYS 14 3HG LYS 14 -3.314 -12.063 -8.936 109 HD2 LYS 14 2HD LYS 14 -1.863 -12.574 -10.931 110 HD3 LYS 14 3HD LYS 14 -0.997 -13.783 -9.973 111 HE2 LYS 14 2HE LYS 14 -3.158 -15.011 -9.597 112 HE3 LYS 14 3HE LYS 14 -3.998 -13.815 -10.593 113 HZ1 LYS 14 3HZ LYS 14 -1.815 -15.569 -11.522 114 HZ2 LYS 14 1HZ LYS 14 -3.401 -15.758 -11.858 115 HZ3 LYS 14 2HZ LYS 14 -2.591 -14.466 -12.441 116 H GLY 15 H GLY 15 1.052 -11.311 -5.861 117 HA2 GLY 15 2HA GLY 15 2.610 -9.843 -5.149 118 HA3 GLY 15 3HA GLY 15 3.114 -9.575 -6.823 119 H PHE 16 H PHE 16 -0.282 -9.138 -5.660 120 HA PHE 16 HA PHE 16 0.150 -6.232 -5.686 121 HB2 PHE 16 2HB PHE 16 -2.075 -7.733 -7.150 122 HB3 PHE 16 3HB PHE 16 -1.981 -5.977 -6.953 123 HD1 PHE 16 HD1 PHE 16 0.116 -4.784 -7.907 124 HD2 PHE 16 HD2 PHE 16 -1.033 -8.786 -8.971 125 HE1 PHE 16 HE1 PHE 16 1.473 -4.625 -9.972 126 HE2 PHE 16 HE2 PHE 16 0.331 -8.627 -11.030 127 HZ PHE 16 HZ PHE 16 1.585 -6.549 -11.535 128 H GLY 17 H GLY 17 -1.568 -5.025 -4.488 129 HA2 GLY 17 2HA GLY 17 -3.631 -6.637 -3.234 130 HA3 GLY 17 3HA GLY 17 -2.452 -5.925 -2.124 131 H PHE 18 H PHE 18 -5.104 -5.149 -1.839 132 HA PHE 18 HA PHE 18 -5.144 -2.477 -3.094 133 HB2 PHE 18 2HB PHE 18 -7.411 -4.293 -2.146 134 HB3 PHE 18 3HB PHE 18 -7.630 -2.603 -2.620 135 HD1 PHE 18 HD1 PHE 18 -5.233 -3.140 -4.817 136 HD2 PHE 18 HD2 PHE 18 -9.105 -4.790 -3.953 137 HE1 PHE 18 HE1 PHE 18 -5.468 -3.831 -7.183 138 HE2 PHE 18 HE2 PHE 18 -9.338 -5.483 -6.318 139 HZ PHE 18 HZ PHE 18 -7.518 -5.007 -7.936 140 H ILE 19 H ILE 19 -5.433 -0.651 -1.753 141 HA ILE 19 HA ILE 19 -5.269 -1.287 1.112 142 HB ILE 19 HB ILE 19 -3.039 -0.676 0.110 143 HG12 ILE 19 2HG1 ILE 19 -2.641 1.310 1.734 144 HG13 ILE 19 3HG1 ILE 19 -4.353 1.159 2.152 145 HG21 ILE 19 1HG2 ILE 19 -2.659 1.665 -0.588 146 HG22 ILE 19 2HG2 ILE 19 -3.839 0.832 -1.656 147 HG23 ILE 19 3HG2 ILE 19 -4.416 1.997 -0.416 148 HD11 ILE 19 3HD1 ILE 19 -2.253 -1.041 2.417 149 HD12 ILE 19 1HD1 ILE 19 -2.942 -0.056 3.751 150 HD13 ILE 19 2HD1 ILE 19 -3.991 -1.194 2.841 151 H LYS 20 H LYS 20 -6.588 -0.039 2.463 152 HA LYS 20 HA LYS 20 -8.069 2.152 1.194 153 HB2 LYS 20 2HB LYS 20 -9.310 0.374 2.427 154 HB3 LYS 20 3HB LYS 20 -8.397 0.756 3.893 155 HG2 LYS 20 2HG LYS 20 -9.357 3.068 3.876 156 HG3 LYS 20 3HG LYS 20 -10.285 2.665 2.426 157 HD2 LYS 20 2HD LYS 20 -11.438 0.825 3.673 158 HD3 LYS 20 3HD LYS 20 -10.507 1.223 5.123 159 HE2 LYS 20 2HE LYS 20 -11.488 3.524 5.126 160 HE3 LYS 20 3HE LYS 20 -12.414 3.133 3.670 161 HZ1 LYS 20 3HZ LYS 20 -12.678 1.766 6.271 162 HZ2 LYS 20 1HZ LYS 20 -13.725 2.855 5.653 163 HZ3 LYS 20 2HZ LYS 20 -13.532 1.405 4.928 164 H ASP 21 H ASP 21 -7.449 4.251 1.503 165 HA ASP 21 HA ASP 21 -5.313 4.820 3.338 166 HB2 ASP 21 2HB ASP 21 -5.640 5.866 1.049 167 HB3 ASP 21 3HB ASP 21 -7.059 6.706 1.687 168 H GLU 22 H GLU 22 -5.400 6.101 5.254 169 HA GLU 22 HA GLU 22 -7.721 6.128 6.785 170 HB2 GLU 22 2HB GLU 22 -5.276 7.962 6.808 171 HB3 GLU 22 3HB GLU 22 -6.504 7.923 8.079 172 HG2 GLU 22 2HG GLU 22 -5.945 5.605 8.633 173 HG3 GLU 22 3HG GLU 22 -4.841 5.495 7.255 174 H ASN 23 H ASN 23 -6.766 8.190 4.070 175 HA ASN 23 HA ASN 23 -8.590 10.295 4.800 176 HB2 ASN 23 2HB ASN 23 -7.085 9.683 2.228 177 HB3 ASN 23 3HB ASN 23 -8.078 11.121 2.499 178 HD21 ASN 23 1HD2 ASN 23 -5.025 9.983 2.486 179 HD22 ASN 23 2HD2 ASN 23 -4.270 11.183 3.480 180 H GLY 24 H GLY 24 -8.997 7.104 3.615 181 HA2 GLY 24 2HA GLY 24 -11.102 6.216 3.246 182 HA3 GLY 24 3HA GLY 24 -11.720 7.817 2.817 183 H ASP 25 H ASP 25 -8.767 7.559 1.190 184 HA ASP 25 HA ASP 25 -10.155 6.933 -1.282 185 HB2 ASP 25 2HB ASP 25 -8.639 8.881 -1.138 186 HB3 ASP 25 3HB ASP 25 -7.300 7.830 -0.658 187 H ASN 26 H ASN 26 -10.007 5.011 -2.400 188 HA ASN 26 HA ASN 26 -8.317 2.953 -1.204 189 HB2 ASN 26 2HB ASN 26 -10.527 2.850 -3.290 190 HB3 ASN 26 3HB ASN 26 -9.580 1.450 -2.772 191 HD21 ASN 26 1HD2 ASN 26 -12.400 3.033 -2.359 192 HD22 ASN 26 2HD2 ASN 26 -12.848 2.414 -0.805 193 H ARG 27 H ARG 27 -6.475 2.136 -2.188 194 HA ARG 27 HA ARG 27 -5.950 3.041 -4.929 195 HB2 ARG 27 2HB ARG 27 -4.111 3.422 -2.555 196 HB3 ARG 27 3HB ARG 27 -3.596 3.534 -4.243 197 HG2 ARG 27 2HG ARG 27 -5.375 5.339 -4.555 198 HG3 ARG 27 3HG ARG 27 -5.606 5.310 -2.802 199 HD2 ARG 27 2HD ARG 27 -2.992 5.888 -4.210 200 HD3 ARG 27 3HD ARG 27 -4.121 7.110 -3.611 201 HE ARG 27 HE ARG 27 -2.273 5.495 -2.043 202 HH11 ARG 27 1HH1 ARG 27 -5.105 7.577 -1.953 203 HH12 ARG 27 2HH1 ARG 27 -4.927 7.939 -0.269 204 HH21 ARG 27 1HH2 ARG 27 -2.052 5.977 0.110 205 HH22 ARG 27 2HH2 ARG 27 -3.173 7.022 0.917 206 H TYR 28 H TYR 28 -4.142 1.790 -5.985 207 HA TYR 28 HA TYR 28 -4.194 -0.970 -5.016 208 HB2 TYR 28 2HB TYR 28 -3.284 0.298 -7.645 209 HB3 TYR 28 3HB TYR 28 -3.193 -1.431 -7.282 210 HD1 TYR 28 HD1 TYR 28 -6.055 -0.583 -5.603 211 HD2 TYR 28 HD2 TYR 28 -4.618 -0.835 -9.640 212 HE1 TYR 28 HE1 TYR 28 -8.379 -0.872 -6.408 213 HE2 TYR 28 HE2 TYR 28 -6.937 -1.125 -10.452 214 HH TYR 28 HH TYR 28 -9.077 -1.270 -9.921 215 H PHE 29 H PHE 29 -2.391 -2.030 -4.213 216 HA PHE 29 HA PHE 29 0.127 -0.493 -4.262 217 HB2 PHE 29 2HB PHE 29 -1.208 -2.318 -2.271 218 HB3 PHE 29 3HB PHE 29 0.555 -2.390 -2.385 219 HD1 PHE 29 HD1 PHE 29 -0.120 0.844 -3.366 220 HD2 PHE 29 HD2 PHE 29 -0.278 -1.623 0.147 221 HE1 PHE 29 HE1 PHE 29 0.055 2.862 -1.941 222 HE2 PHE 29 HE2 PHE 29 -0.106 0.393 1.570 223 HZ PHE 29 HZ PHE 29 0.059 2.640 0.531 224 H HIS 30 H HIS 30 1.932 -1.376 -5.251 225 HA HIS 30 HA HIS 30 1.609 -4.100 -6.311 226 HB2 HIS 30 2HB HIS 30 3.466 -1.805 -7.113 227 HB3 HIS 30 3HB HIS 30 3.502 -3.423 -7.825 228 HD2 HIS 30 HD2 HIS 30 -0.148 -2.412 -7.330 229 HE1 HIS 30 HE1 HIS 30 0.900 -1.238 -11.310 230 H VAL 31 H VAL 31 3.203 -5.706 -5.910 231 HA VAL 31 HA VAL 31 4.542 -5.592 -3.496 232 HB VAL 31 HB VAL 31 3.935 -7.657 -4.842 233 HG11 VAL 31 1HG1 VAL 31 5.558 -8.444 -6.537 234 HG12 VAL 31 2HG1 VAL 31 4.770 -6.907 -7.029 235 HG13 VAL 31 3HG1 VAL 31 6.450 -6.892 -6.396 236 HG21 VAL 31 3HG2 VAL 31 5.418 -7.780 -2.886 237 HG22 VAL 31 1HG2 VAL 31 5.931 -8.946 -4.151 238 HG23 VAL 31 2HG2 VAL 31 6.837 -7.412 -3.923 239 H ILE 32 H ILE 32 5.495 -4.379 -6.712 240 HA ILE 32 HA ILE 32 8.260 -4.158 -6.040 241 HB ILE 32 HB ILE 32 6.509 -2.931 -8.223 242 HG12 ILE 32 2HG1 ILE 32 8.745 -5.003 -8.380 243 HG13 ILE 32 3HG1 ILE 32 7.034 -5.421 -8.229 244 HG21 ILE 32 1HG2 ILE 32 8.611 -2.171 -9.283 245 HG22 ILE 32 2HG2 ILE 32 8.336 -1.375 -7.697 246 HG23 ILE 32 3HG2 ILE 32 9.530 -2.710 -7.838 247 HD11 ILE 32 3HD1 ILE 32 8.283 -3.825 -10.509 248 HD12 ILE 32 1HD1 ILE 32 7.771 -5.545 -10.565 249 HD13 ILE 32 2HD1 ILE 32 6.545 -4.249 -10.355 250 H LYS 33 H LYS 33 5.325 -2.193 -5.504 251 HA LYS 33 HA LYS 33 6.934 0.235 -5.261 252 HB2 LYS 33 2HB LYS 33 3.931 -0.313 -5.349 253 HB3 LYS 33 3HB LYS 33 4.627 1.289 -5.074 254 HG2 LYS 33 2HG LYS 33 5.775 1.161 -7.295 255 HG3 LYS 33 3HG LYS 33 5.049 -0.428 -7.570 256 HD2 LYS 33 2HD LYS 33 2.783 0.532 -7.478 257 HD3 LYS 33 3HD LYS 33 3.430 2.115 -7.029 258 HE2 LYS 33 2HE LYS 33 4.002 0.648 -9.658 259 HE3 LYS 33 3HE LYS 33 2.847 1.972 -9.457 260 HZ1 LYS 33 3HZ LYS 33 5.769 2.120 -9.107 261 HZ2 LYS 33 1HZ LYS 33 4.871 2.854 -10.256 262 HZ3 LYS 33 2HZ LYS 33 4.756 3.334 -8.700 263 H VAL 34 H VAL 34 6.413 -2.264 -3.218 264 HA VAL 34 HA VAL 34 5.886 -0.484 -0.944 265 HB VAL 34 HB VAL 34 5.537 -2.593 0.344 266 HG11 VAL 34 1HG1 VAL 34 3.392 -3.236 -0.698 267 HG12 VAL 34 2HG1 VAL 34 3.621 -1.454 -0.677 268 HG13 VAL 34 3HG1 VAL 34 3.868 -2.374 -2.200 269 HG21 VAL 34 3HG2 VAL 34 7.005 -4.067 -0.960 270 HG22 VAL 34 1HG2 VAL 34 5.343 -4.742 -0.862 271 HG23 VAL 34 2HG2 VAL 34 5.900 -3.941 -2.370 272 H ALA 35 H ALA 35 7.356 -0.544 0.909 273 HA ALA 35 HA ALA 35 10.067 -0.704 0.110 274 HB1 ALA 35 3HB ALA 35 8.762 -0.454 2.866 275 HB2 ALA 35 1HB ALA 35 10.495 -0.163 2.496 276 HB3 ALA 35 2HB ALA 35 9.234 0.900 1.785 277 H ASN 36 H ASN 36 7.878 -2.934 1.936 278 HA ASN 36 HA ASN 36 10.118 -4.839 1.984 279 HB2 ASN 36 2HB ASN 36 7.540 -4.669 3.583 280 HB3 ASN 36 3HB ASN 36 8.563 -6.112 3.551 281 HD21 ASN 36 1HD2 ASN 36 7.958 -4.713 5.857 282 HD22 ASN 36 2HD2 ASN 36 9.438 -4.091 6.506 283 HA PRO 37 HA PRO 37 7.469 -6.394 -1.452 284 HB2 PRO 37 2HB PRO 37 9.616 -7.369 -2.921 285 HB3 PRO 37 3HB PRO 37 9.134 -5.671 -3.027 286 HG2 PRO 37 2HG PRO 37 11.342 -6.926 -1.359 287 HG3 PRO 37 3HG PRO 37 11.395 -5.460 -2.348 288 HD2 PRO 37 2HD PRO 37 11.064 -5.311 0.350 289 HD3 PRO 37 3HD PRO 37 10.264 -4.156 -0.724 290 H ASP 38 H ASP 38 10.446 -8.222 -0.391 291 HA ASP 38 HA ASP 38 9.149 -10.688 -0.864 292 HB2 ASP 38 2HB ASP 38 11.639 -9.847 0.682 293 HB3 ASP 38 3HB ASP 38 11.119 -11.534 0.575 294 H LEU 39 H LEU 39 9.318 -8.493 1.967 295 HA LEU 39 HA LEU 39 8.106 -10.575 3.643 296 HB2 LEU 39 2HB LEU 39 9.140 -7.770 4.285 297 HB3 LEU 39 3HB LEU 39 8.499 -8.921 5.464 298 HG LEU 39 HG LEU 39 11.010 -9.355 3.761 299 HD11 LEU 39 1HD1 LEU 39 12.210 -9.062 5.898 300 HD12 LEU 39 2HD1 LEU 39 11.291 -7.585 5.450 301 HD13 LEU 39 3HD1 LEU 39 10.659 -8.686 6.720 302 HD21 LEU 39 3HD2 LEU 39 9.821 -11.450 4.313 303 HD22 LEU 39 1HD2 LEU 39 11.351 -11.310 5.242 304 HD23 LEU 39 2HD2 LEU 39 9.779 -10.976 6.045 305 H ILE 40 H ILE 40 6.825 -8.812 1.302 306 HA ILE 40 HA ILE 40 4.931 -7.158 2.432 307 HB ILE 40 HB ILE 40 5.436 -7.492 -0.035 308 HG12 ILE 40 2HG1 ILE 40 2.483 -7.764 0.693 309 HG13 ILE 40 3HG1 ILE 40 3.415 -6.276 0.903 310 HG21 ILE 40 1HG2 ILE 40 4.204 -9.272 -1.230 311 HG22 ILE 40 2HG2 ILE 40 5.397 -9.948 -0.070 312 HG23 ILE 40 3HG2 ILE 40 3.649 -9.938 0.343 313 HD11 ILE 40 3HD1 ILE 40 2.932 -7.718 -1.742 314 HD12 ILE 40 1HD1 ILE 40 2.117 -6.220 -1.178 315 HD13 ILE 40 2HD1 ILE 40 3.878 -6.207 -1.529 316 H LYS 41 H LYS 41 2.980 -7.466 3.523 317 HA LYS 41 HA LYS 41 1.898 -10.191 3.603 318 HB2 LYS 41 2HB LYS 41 2.546 -8.432 6.015 319 HB3 LYS 41 3HB LYS 41 1.519 -9.870 6.080 320 HG2 LYS 41 2HG LYS 41 3.436 -11.275 5.318 321 HG3 LYS 41 3HG LYS 41 4.464 -9.837 5.248 322 HD2 LYS 41 2HD LYS 41 4.119 -9.452 7.686 323 HD3 LYS 41 3HD LYS 41 3.046 -10.856 7.768 324 HE2 LYS 41 2HE LYS 41 4.970 -12.293 6.922 325 HE3 LYS 41 3HE LYS 41 6.019 -10.873 7.033 326 HZ1 LYS 41 3HZ LYS 41 4.549 -12.081 9.288 327 HZ2 LYS 41 1HZ LYS 41 6.150 -12.225 9.004 328 HZ3 LYS 41 2HZ LYS 41 5.518 -10.771 9.390 329 H LYS 42 H LYS 42 -0.354 -10.063 4.884 330 HA LYS 42 HA LYS 42 -2.191 -8.552 3.649 331 HB2 LYS 42 2HB LYS 42 -2.064 -9.238 6.623 332 HB3 LYS 42 3HB LYS 42 -3.518 -8.690 5.778 333 HG2 LYS 42 2HG LYS 42 -3.397 -10.702 4.291 334 HG3 LYS 42 3HG LYS 42 -1.964 -11.254 5.169 335 HD2 LYS 42 2HD LYS 42 -3.328 -11.250 7.305 336 HD3 LYS 42 3HD LYS 42 -4.756 -10.816 6.356 337 HE2 LYS 42 2HE LYS 42 -4.452 -12.901 4.981 338 HE3 LYS 42 3HE LYS 42 -3.058 -13.339 5.976 339 HZ1 LYS 42 3HZ LYS 42 -5.815 -12.993 6.969 340 HZ2 LYS 42 1HZ LYS 42 -5.057 -14.419 6.730 341 HZ3 LYS 42 2HZ LYS 42 -4.528 -13.398 7.889 342 H ASP 43 H ASP 43 -2.881 -6.422 3.556 343 HA ASP 43 HA ASP 43 -1.050 -4.491 4.603 344 HB2 ASP 43 2HB ASP 43 -3.650 -4.358 3.018 345 HB3 ASP 43 3HB ASP 43 -2.799 -2.905 3.556 346 H ALA 44 H ALA 44 -3.376 -6.221 6.226 347 HA ALA 44 HA ALA 44 -4.793 -4.164 7.567 348 HB1 ALA 44 3HB ALA 44 -4.110 -7.032 8.375 349 HB2 ALA 44 1HB ALA 44 -5.326 -5.980 9.174 350 HB3 ALA 44 2HB ALA 44 -5.568 -6.498 7.472 351 H ALA 45 H ALA 45 -1.451 -4.942 7.622 352 HA ALA 45 HA ALA 45 -1.218 -3.110 9.870 353 HB1 ALA 45 3HB ALA 45 0.161 -5.838 9.774 354 HB2 ALA 45 1HB ALA 45 0.510 -4.528 10.953 355 HB3 ALA 45 2HB ALA 45 -1.101 -5.323 10.944 356 H VAL 46 H VAL 46 -0.627 -1.659 8.057 357 HA VAL 46 HA VAL 46 2.217 -2.003 7.501 358 HB VAL 46 HB VAL 46 1.869 -1.167 5.167 359 HG11 VAL 46 1HG1 VAL 46 1.018 -3.294 4.228 360 HG12 VAL 46 2HG1 VAL 46 2.152 -3.572 5.592 361 HG13 VAL 46 3HG1 VAL 46 0.383 -3.748 5.846 362 HG21 VAL 46 3HG2 VAL 46 -0.304 -0.063 5.494 363 HG22 VAL 46 1HG2 VAL 46 -0.396 -1.274 4.172 364 HG23 VAL 46 2HG2 VAL 46 -1.083 -1.654 5.788 365 H THR 47 H THR 47 3.307 0.107 6.969 366 HA THR 47 HA THR 47 1.556 2.431 7.185 367 HB THR 47 HB THR 47 2.601 2.103 9.428 368 HG1 THR 47 HG1 THR 47 2.361 4.283 8.158 369 HG21 THR 47 3HG2 THR 47 5.226 2.428 7.892 370 HG22 THR 47 1HG2 THR 47 5.051 2.388 9.679 371 HG23 THR 47 2HG2 THR 47 4.651 0.933 8.704 372 H PHE 48 H PHE 48 2.394 4.335 6.021 373 HA PHE 48 HA PHE 48 4.652 3.888 4.272 374 HB2 PHE 48 2HB PHE 48 3.254 3.972 2.212 375 HB3 PHE 48 3HB PHE 48 3.016 2.489 3.146 376 HD1 PHE 48 HD1 PHE 48 1.507 5.747 2.208 377 HD2 PHE 48 HD2 PHE 48 0.894 1.969 4.159 378 HE1 PHE 48 HE1 PHE 48 -0.933 6.167 2.257 379 HE2 PHE 48 HE2 PHE 48 -1.545 2.386 4.200 380 HZ PHE 48 HZ PHE 48 -2.463 4.488 3.252 381 H GLU 49 H GLU 49 4.708 5.768 2.555 382 HA GLU 49 HA GLU 49 3.715 8.189 3.919 383 HB2 GLU 49 2HB GLU 49 6.167 8.001 3.850 384 HB3 GLU 49 3HB GLU 49 6.128 7.724 2.104 385 HG2 GLU 49 2HG GLU 49 5.186 10.014 1.765 386 HG3 GLU 49 3HG GLU 49 5.237 10.290 3.512 387 HA PRO 50 HA PRO 50 1.170 8.763 0.332 388 HB2 PRO 50 2HB PRO 50 0.397 11.373 0.880 389 HB3 PRO 50 3HB PRO 50 -0.245 10.019 1.818 390 HG2 PRO 50 2HG PRO 50 2.045 11.895 2.500 391 HG3 PRO 50 3HG PRO 50 0.712 11.353 3.528 392 HD2 PRO 50 2HD PRO 50 3.167 10.192 3.704 393 HD3 PRO 50 3HD PRO 50 1.697 9.234 3.927 394 H THR 51 H THR 51 1.339 9.426 -1.741 395 HA THR 51 HA THR 51 3.206 11.607 -2.251 396 HB THR 51 HB THR 51 4.250 10.309 -4.114 397 HG1 THR 51 HG1 THR 51 3.848 8.059 -4.269 398 HG21 THR 51 3HG2 THR 51 4.458 8.973 -1.371 399 HG22 THR 51 1HG2 THR 51 5.656 8.836 -2.702 400 HG23 THR 51 2HG2 THR 51 5.365 10.424 -1.915 401 H THR 52 H THR 52 3.023 12.364 -4.627 402 HA THR 52 HA THR 52 0.316 11.804 -5.619 403 HB THR 52 HB THR 52 1.732 14.517 -5.470 404 HG1 THR 52 HG1 THR 52 -0.098 15.001 -4.055 405 HG21 THR 52 3HG2 THR 52 -1.017 13.748 -6.566 406 HG22 THR 52 1HG2 THR 52 -0.380 15.419 -6.396 407 HG23 THR 52 2HG2 THR 52 0.403 14.271 -7.534 408 H ASN 53 H ASN 53 0.247 11.255 -7.794 409 HA ASN 53 HA ASN 53 2.571 12.072 -9.412 410 HB2 ASN 53 2HB ASN 53 2.492 9.629 -8.995 411 HB3 ASN 53 3HB ASN 53 0.866 9.566 -9.688 412 HD21 ASN 53 1HD2 ASN 53 2.992 8.068 -10.623 413 HD22 ASN 53 2HD2 ASN 53 3.301 8.546 -12.259 414 H ASN 54 H ASN 54 1.820 13.880 -10.522 415 HA ASN 54 HA ASN 54 0.526 15.198 -11.724 416 HB2 ASN 54 2HB ASN 54 -0.658 12.573 -12.702 417 HB3 ASN 54 3HB ASN 54 -1.008 14.158 -13.405 418 HD21 ASN 54 1HD2 ASN 54 0.150 11.882 -14.679 419 HD22 ASN 54 2HD2 ASN 54 1.677 12.405 -15.308 420 H LYS 55 H LYS 55 -2.391 13.580 -12.262 421 HA LYS 55 HA LYS 55 -3.630 14.984 -10.010 422 HB2 LYS 55 2HB LYS 55 -4.767 13.714 -12.545 423 HB3 LYS 55 3HB LYS 55 -5.735 14.507 -11.295 424 HG2 LYS 55 2HG LYS 55 -4.500 16.648 -11.722 425 HG3 LYS 55 3HG LYS 55 -3.578 15.847 -13.002 426 HD2 LYS 55 2HD LYS 55 -5.731 15.317 -14.194 427 HD3 LYS 55 3HD LYS 55 -6.626 16.171 -12.930 428 HE2 LYS 55 2HE LYS 55 -5.346 18.268 -13.458 429 HE3 LYS 55 3HE LYS 55 -4.482 17.409 -14.739 430 HZ1 LYS 55 3HZ LYS 55 -7.400 17.827 -14.642 431 HZ2 LYS 55 1HZ LYS 55 -6.350 18.632 -15.599 432 HZ3 LYS 55 2HZ LYS 55 -6.602 17.034 -15.825 433 H GLY 56 H GLY 56 -2.218 12.018 -10.355 434 HA2 GLY 56 2HA GLY 56 -4.495 10.545 -9.188 435 HA3 GLY 56 3HA GLY 56 -3.092 9.840 -10.003 436 H LEU 57 H LEU 57 -4.382 9.699 -7.102 437 HA LEU 57 HA LEU 57 -2.126 10.533 -5.481 438 HB2 LEU 57 2HB LEU 57 -4.688 8.982 -4.858 439 HB3 LEU 57 3HB LEU 57 -3.499 9.494 -3.653 440 HG LEU 57 HG LEU 57 -5.138 11.376 -5.433 441 HD11 LEU 57 1HD1 LEU 57 -6.296 11.949 -3.328 442 HD12 LEU 57 2HD1 LEU 57 -6.500 10.213 -3.741 443 HD13 LEU 57 3HD1 LEU 57 -5.339 10.701 -2.460 444 HD21 LEU 57 3HD2 LEU 57 -2.910 12.272 -4.864 445 HD22 LEU 57 1HD2 LEU 57 -4.205 13.145 -3.978 446 HD23 LEU 57 2HD2 LEU 57 -3.204 11.919 -3.128 447 H SER 58 H SER 58 -0.581 9.177 -4.510 448 HA SER 58 HA SER 58 -0.909 6.297 -4.815 449 HB2 SER 58 2HB SER 58 1.361 6.060 -5.757 450 HB3 SER 58 3HB SER 58 0.273 6.915 -6.859 451 HG SER 58 HG SER 58 2.236 8.095 -5.104 452 H ALA 59 H ALA 59 1.193 5.219 -3.710 453 HA ALA 59 HA ALA 59 2.198 6.873 -1.537 454 HB1 ALA 59 3HB ALA 59 0.547 4.338 -1.091 455 HB2 ALA 59 1HB ALA 59 1.473 5.221 0.169 456 HB3 ALA 59 2HB ALA 59 0.076 6.010 -0.637 457 H TYR 60 H TYR 60 4.187 6.115 -0.694 458 HA TYR 60 HA TYR 60 5.151 3.557 -1.749 459 HB2 TYR 60 2HB TYR 60 6.511 6.276 -2.080 460 HB3 TYR 60 3HB TYR 60 7.338 4.729 -2.303 461 HD1 TYR 60 HD1 TYR 60 6.668 3.208 -4.180 462 HD2 TYR 60 HD2 TYR 60 5.021 7.151 -3.766 463 HE1 TYR 60 HE1 TYR 60 5.904 3.135 -6.532 464 HE2 TYR 60 HE2 TYR 60 4.253 7.082 -6.118 465 HH TYR 60 HH TYR 60 4.148 5.919 -7.991 466 H ALA 61 H ALA 61 7.609 3.322 -0.756 467 HA ALA 61 HA ALA 61 8.632 2.711 1.112 468 HB1 ALA 61 3HB ALA 61 7.402 5.286 2.206 469 HB2 ALA 61 1HB ALA 61 8.722 4.344 2.978 470 HB3 ALA 61 2HB ALA 61 8.991 5.129 1.385 471 H VAL 62 H VAL 62 6.489 1.135 0.789 472 HA VAL 62 HA VAL 62 4.730 1.432 3.080 473 HB VAL 62 HB VAL 62 4.725 -0.596 0.784 474 HG11 VAL 62 1HG1 VAL 62 2.407 -1.062 1.515 475 HG12 VAL 62 2HG1 VAL 62 3.602 -1.440 2.801 476 HG13 VAL 62 3HG1 VAL 62 2.623 0.062 2.899 477 HG21 VAL 62 3HG2 VAL 62 4.363 1.702 -0.010 478 HG22 VAL 62 1HG2 VAL 62 2.845 0.747 -0.103 479 HG23 VAL 62 2HG2 VAL 62 3.077 1.938 1.221 480 H LYS 63 H LYS 63 5.545 0.611 5.002 481 HA LYS 63 HA LYS 63 7.156 -1.848 4.820 482 HB2 LYS 63 2HB LYS 63 6.935 0.321 6.960 483 HB3 LYS 63 3HB LYS 63 7.872 -1.167 7.145 484 HG2 LYS 63 2HG LYS 63 9.304 -0.520 5.216 485 HG3 LYS 63 3HG LYS 63 8.354 0.955 4.994 486 HD2 LYS 63 2HD LYS 63 8.967 1.685 7.321 487 HD3 LYS 63 3HD LYS 63 9.943 0.222 7.512 488 HE2 LYS 63 2HE LYS 63 11.349 0.909 5.555 489 HE3 LYS 63 3HE LYS 63 10.378 2.377 5.376 490 HZ1 LYS 63 3HZ LYS 63 12.210 1.672 7.551 491 HZ2 LYS 63 1HZ LYS 63 12.177 3.024 6.636 492 HZ3 LYS 63 2HZ LYS 63 11.043 2.790 7.788 493 H VAL 64 H VAL 64 6.516 -3.729 5.879 494 HA VAL 64 HA VAL 64 3.831 -3.723 6.936 495 HB VAL 64 HB VAL 64 5.902 -5.944 6.557 496 HG11 VAL 64 1HG1 VAL 64 4.014 -7.498 6.956 497 HG12 VAL 64 2HG1 VAL 64 4.357 -6.479 8.395 498 HG13 VAL 64 3HG1 VAL 64 2.952 -6.102 7.341 499 HG21 VAL 64 3HG2 VAL 64 5.088 -4.978 4.450 500 HG22 VAL 64 1HG2 VAL 64 4.436 -6.635 4.687 501 HG23 VAL 64 2HG2 VAL 64 3.389 -5.207 4.986 502 H VAL 65 H VAL 65 3.275 -3.768 9.123 503 HA VAL 65 HA VAL 65 5.582 -3.747 10.947 504 HB VAL 65 HB VAL 65 4.278 -2.102 12.308 505 HG11 VAL 65 1HG1 VAL 65 4.628 -0.160 10.813 506 HG12 VAL 65 2HG1 VAL 65 5.994 -1.323 10.729 507 HG13 VAL 65 3HG1 VAL 65 4.775 -1.273 9.411 508 HG21 VAL 65 3HG2 VAL 65 2.020 -2.700 11.544 509 HG22 VAL 65 1HG2 VAL 65 2.341 -0.953 11.282 510 HG23 VAL 65 2HG2 VAL 65 2.403 -2.094 9.897 511 HA PRO 66 HA PRO 66 3.274 -6.776 13.284 512 HB2 PRO 66 2HB PRO 66 4.558 -6.539 15.708 513 HB3 PRO 66 3HB PRO 66 5.418 -7.214 14.318 514 HG2 PRO 66 2HG PRO 66 5.508 -4.387 15.428 515 HG3 PRO 66 3HG PRO 66 6.849 -5.422 14.919 516 HD2 PRO 66 2HD PRO 66 5.825 -3.474 13.285 517 HD3 PRO 66 3HD PRO 66 6.514 -4.967 12.635 518 H LEU 67 H LEU 67 1.638 -7.060 14.822 519 HA LEU 67 HA LEU 67 0.538 -4.491 15.761 520 HB2 LEU 67 2HB LEU 67 -0.749 -7.232 15.339 521 HB3 LEU 67 3HB LEU 67 -1.582 -5.803 15.965 522 HG LEU 67 HG LEU 67 -0.325 -6.021 13.179 523 HD11 LEU 67 1HD1 LEU 67 -2.665 -6.087 12.394 524 HD12 LEU 67 2HD1 LEU 67 -2.286 -7.486 13.454 525 HD13 LEU 67 3HD1 LEU 67 -3.238 -6.105 14.096 526 HD21 LEU 67 3HD2 LEU 67 -0.324 -3.728 14.094 527 HD22 LEU 67 1HD2 LEU 67 -1.527 -3.897 12.771 528 HD23 LEU 67 2HD2 LEU 67 -2.071 -3.876 14.483 529 H GLU 68 H GLU 68 2.617 -6.772 16.924 530 HA GLU 68 HA GLU 68 1.799 -6.239 19.638 531 HB2 GLU 68 2HB GLU 68 1.700 -8.583 20.318 532 HB3 GLU 68 3HB GLU 68 0.451 -8.241 19.114 533 HG2 GLU 68 2HG GLU 68 1.928 -9.250 17.341 534 HG3 GLU 68 3HG GLU 68 3.112 -9.654 18.591 535 H HIS 69 H HIS 69 3.513 -6.951 21.214 536 HA HIS 69 HA HIS 69 6.099 -6.479 20.134 537 HB2 HIS 69 2HB HIS 69 5.244 -5.854 22.453 538 HB3 HIS 69 3HB HIS 69 5.325 -7.567 22.884 539 HD2 HIS 69 HD2 HIS 69 7.652 -4.488 22.627 540 HE1 HIS 69 HE1 HIS 69 10.127 -7.901 23.369 541 H HIS 70 H HIS 70 7.764 -7.903 19.606 542 HA HIS 70 HA HIS 70 7.172 -10.763 20.029 543 HB2 HIS 70 2HB HIS 70 8.619 -9.398 17.704 544 HB3 HIS 70 3HB HIS 70 8.511 -11.147 17.943 545 HD2 HIS 70 HD2 HIS 70 6.457 -8.270 16.394 546 HE1 HIS 70 HE1 HIS 70 3.935 -11.727 16.468 547 H HIS 71 H HIS 71 9.083 -12.158 20.381 548 HA HIS 71 HA HIS 71 11.317 -10.601 21.518 549 HB2 HIS 71 2HB HIS 71 10.139 -13.280 22.412 550 HB3 HIS 71 3HB HIS 71 11.585 -12.525 23.096 551 HD2 HIS 71 HD2 HIS 71 7.688 -12.200 23.284 552 HE1 HIS 71 HE1 HIS 71 9.405 -9.347 25.976 553 H HIS 72 H HIS 72 13.466 -11.406 21.178 554 HA HIS 72 HA HIS 72 13.664 -13.654 19.297 555 HB2 HIS 72 2HB HIS 72 15.019 -10.926 19.016 556 HB3 HIS 72 3HB HIS 72 15.383 -12.348 18.030 557 HD2 HIS 72 HD2 HIS 72 12.863 -9.421 18.142 558 HE1 HIS 72 HE1 HIS 72 11.514 -12.146 15.129 559 H HIS 73 H HIS 73 15.793 -14.720 19.314 560 HA HIS 73 HA HIS 73 16.999 -14.525 21.952 561 HB2 HIS 73 2HB HIS 73 17.406 -16.441 19.603 562 HB3 HIS 73 3HB HIS 73 18.251 -16.564 21.151 563 HD2 HIS 73 HD2 HIS 73 14.854 -17.544 19.566 564 HE1 HIS 73 HE1 HIS 73 14.632 -18.441 23.746 565 H HIS 74 H HIS 74 19.307 -14.236 22.303 566 HA HIS 74 HA HIS 74 21.005 -13.563 20.106 567 HB2 HIS 74 2HB HIS 74 19.667 -11.464 20.282 568 HB3 HIS 74 3HB HIS 74 20.094 -11.332 21.993 569 HD2 HIS 74 HD2 HIS 74 22.387 -9.893 22.447 570 HE1 HIS 74 HE1 HIS 74 23.960 -10.048 18.470 Start of MODEL 20 1 H1 MET 1 1H MET 1 5.963 4.954 6.241 2 H2 MET 1 2H MET 1 4.730 5.965 5.888 3 H3 MET 1 3H MET 1 6.262 6.379 5.503 4 HA MET 1 HA MET 1 5.607 5.814 8.255 5 HB2 MET 1 2HB MET 1 7.526 7.739 6.860 6 HB3 MET 1 3HB MET 1 7.347 7.585 8.613 7 HG2 MET 1 2HG MET 1 8.325 5.422 6.690 8 HG3 MET 1 3HG MET 1 9.315 6.351 7.824 9 HE1 MET 1 3HE MET 1 7.479 6.355 10.586 10 HE2 MET 1 1HE MET 1 8.384 4.976 11.298 11 HE3 MET 1 2HE MET 1 9.249 6.206 10.317 12 H ALA 2 H ALA 2 4.554 7.843 5.590 13 HA ALA 2 HA ALA 2 3.888 10.057 7.377 14 HB1 ALA 2 3HB ALA 2 3.686 9.705 4.345 15 HB2 ALA 2 1HB ALA 2 3.327 11.213 5.251 16 HB3 ALA 2 2HB ALA 2 4.997 10.552 5.233 17 H MET 3 H MET 3 2.420 7.168 6.147 18 HA MET 3 HA MET 3 -0.149 8.112 7.131 19 HB2 MET 3 2HB MET 3 -0.152 8.695 4.710 20 HB3 MET 3 3HB MET 3 0.253 7.022 4.304 21 HG2 MET 3 2HG MET 3 -2.116 7.337 3.958 22 HG3 MET 3 3HG MET 3 -1.897 6.268 5.349 23 HE1 MET 3 3HE MET 3 -3.879 9.965 4.570 24 HE2 MET 3 1HE MET 3 -2.564 10.743 5.514 25 HE3 MET 3 2HE MET 3 -2.164 9.718 4.094 26 H ASN 4 H ASN 4 -1.543 6.358 7.795 27 HA ASN 4 HA ASN 4 -0.449 3.676 7.285 28 HB2 ASN 4 2HB ASN 4 -1.111 2.962 9.495 29 HB3 ASN 4 3HB ASN 4 0.029 4.309 9.612 30 HD21 ASN 4 1HD2 ASN 4 -0.507 6.041 10.743 31 HD22 ASN 4 2HD2 ASN 4 -2.085 6.411 11.354 32 H GLY 5 H GLY 5 -2.221 1.923 7.564 33 HA2 GLY 5 2HA GLY 5 -4.938 2.721 7.305 34 HA3 GLY 5 3HA GLY 5 -4.207 2.468 5.715 35 H THR 6 H THR 6 -5.860 0.658 5.568 36 HA THR 6 HA THR 6 -4.735 -1.743 6.823 37 HB THR 6 HB THR 6 -6.838 -1.083 7.995 38 HG1 THR 6 HG1 THR 6 -6.292 -3.354 7.667 39 HG21 THR 6 3HG2 THR 6 -8.104 -1.440 5.236 40 HG22 THR 6 1HG2 THR 6 -8.991 -1.191 6.777 41 HG23 THR 6 2HG2 THR 6 -7.931 0.107 6.131 42 H ILE 7 H ILE 7 -4.787 -3.662 5.495 43 HA ILE 7 HA ILE 7 -4.719 -2.931 2.712 44 HB ILE 7 HB ILE 7 -4.048 -5.528 4.192 45 HG12 ILE 7 2HG1 ILE 7 -2.196 -3.477 2.897 46 HG13 ILE 7 3HG1 ILE 7 -2.631 -3.444 4.611 47 HG21 ILE 7 1HG2 ILE 7 -2.956 -6.220 2.084 48 HG22 ILE 7 2HG2 ILE 7 -4.724 -5.988 1.875 49 HG23 ILE 7 3HG2 ILE 7 -3.578 -4.740 1.279 50 HD11 ILE 7 3HD1 ILE 7 -1.223 -5.739 3.173 51 HD12 ILE 7 1HD1 ILE 7 -0.461 -4.538 4.270 52 HD13 ILE 7 2HD1 ILE 7 -1.665 -5.705 4.914 53 H THR 8 H THR 8 -6.313 -3.369 1.209 54 HA THR 8 HA THR 8 -8.523 -5.043 2.151 55 HB THR 8 HB THR 8 -9.851 -3.917 0.379 56 HG1 THR 8 HG1 THR 8 -8.833 -2.105 -0.746 57 HG21 THR 8 3HG2 THR 8 -8.296 -1.973 2.155 58 HG22 THR 8 1HG2 THR 8 -9.873 -1.643 1.363 59 HG23 THR 8 2HG2 THR 8 -9.752 -2.911 2.630 60 H THR 9 H THR 9 -6.027 -4.687 -0.407 61 HA THR 9 HA THR 9 -6.609 -7.432 -1.122 62 HB THR 9 HB THR 9 -6.452 -5.181 -3.195 63 HG1 THR 9 HG1 THR 9 -8.533 -6.429 -1.870 64 HG21 THR 9 3HG2 THR 9 -6.713 -8.207 -3.537 65 HG22 THR 9 1HG2 THR 9 -6.797 -6.987 -4.853 66 HG23 THR 9 2HG2 THR 9 -5.270 -7.215 -3.935 67 H TRP 10 H TRP 10 -4.682 -8.565 -1.259 68 HA TRP 10 HA TRP 10 -2.247 -6.927 -1.173 69 HB2 TRP 10 2HB TRP 10 -2.748 -8.539 0.689 70 HB3 TRP 10 3HB TRP 10 -2.736 -9.868 -0.479 71 HD1 TRP 10 HD1 TRP 10 -0.454 -11.045 -0.811 72 HE1 TRP 10 HE1 TRP 10 2.006 -10.502 -0.233 73 HE3 TRP 10 HE3 TRP 10 -1.078 -6.249 0.922 74 HZ2 TRP 10 HZ2 TRP 10 3.487 -8.347 0.808 75 HZ3 TRP 10 HZ3 TRP 10 0.926 -4.992 1.696 76 HH2 TRP 10 HH2 TRP 10 3.153 -6.006 1.637 77 H PHE 11 H PHE 11 -0.636 -7.075 -2.737 78 HA PHE 11 HA PHE 11 -1.331 -8.459 -5.166 79 HB2 PHE 11 2HB PHE 11 0.796 -7.437 -5.978 80 HB3 PHE 11 3HB PHE 11 -0.311 -6.247 -5.282 81 HD1 PHE 11 HD1 PHE 11 0.154 -5.247 -3.058 82 HD2 PHE 11 HD2 PHE 11 2.921 -7.932 -4.949 83 HE1 PHE 11 HE1 PHE 11 1.942 -4.481 -1.525 84 HE2 PHE 11 HE2 PHE 11 4.710 -7.170 -3.414 85 HZ PHE 11 HZ PHE 11 4.221 -5.444 -1.696 86 H LYS 12 H LYS 12 -1.318 -10.719 -4.365 87 HA LYS 12 HA LYS 12 1.023 -11.807 -3.190 88 HB2 LYS 12 2HB LYS 12 -1.256 -12.749 -2.919 89 HB3 LYS 12 3HB LYS 12 -1.324 -13.111 -4.649 90 HG2 LYS 12 2HG LYS 12 0.559 -14.707 -4.414 91 HG3 LYS 12 3HG LYS 12 0.700 -14.313 -2.695 92 HD2 LYS 12 2HD LYS 12 -1.640 -15.120 -2.318 93 HD3 LYS 12 3HD LYS 12 -1.783 -15.512 -4.036 94 HE2 LYS 12 2HE LYS 12 0.136 -17.107 -3.829 95 HE3 LYS 12 3HE LYS 12 0.270 -16.719 -2.109 96 HZ1 LYS 12 3HZ LYS 12 -2.094 -17.921 -3.402 97 HZ2 LYS 12 1HZ LYS 12 -1.010 -18.709 -2.469 98 HZ3 LYS 12 2HZ LYS 12 -1.970 -17.563 -1.814 99 H ASP 13 H ASP 13 -0.434 -12.496 -6.489 100 HA ASP 13 HA ASP 13 2.254 -13.370 -7.287 101 HB2 ASP 13 2HB ASP 13 -0.515 -13.857 -8.489 102 HB3 ASP 13 3HB ASP 13 1.001 -14.463 -9.169 103 H LYS 14 H LYS 14 -0.198 -10.830 -7.878 104 HA LYS 14 HA LYS 14 0.574 -10.694 -10.686 105 HB2 LYS 14 2HB LYS 14 -1.625 -9.297 -9.089 106 HB3 LYS 14 3HB LYS 14 -1.401 -9.184 -10.839 107 HG2 LYS 14 2HG LYS 14 -2.010 -11.762 -9.308 108 HG3 LYS 14 3HG LYS 14 -3.200 -10.787 -10.180 109 HD2 LYS 14 2HD LYS 14 -1.879 -11.118 -12.302 110 HD3 LYS 14 3HD LYS 14 -0.748 -12.148 -11.415 111 HE2 LYS 14 2HE LYS 14 -2.631 -13.692 -10.819 112 HE3 LYS 14 3HE LYS 14 -3.753 -12.666 -11.723 113 HZ1 LYS 14 3HZ LYS 14 -1.428 -14.072 -12.875 114 HZ2 LYS 14 1HZ LYS 14 -2.991 -14.516 -13.037 115 HZ3 LYS 14 2HZ LYS 14 -2.463 -13.125 -13.710 116 H GLY 15 H GLY 15 1.166 -8.999 -7.635 117 HA2 GLY 15 2HA GLY 15 2.513 -7.223 -7.253 118 HA3 GLY 15 3HA GLY 15 2.815 -7.075 -8.989 119 H PHE 16 H PHE 16 -0.582 -7.195 -7.962 120 HA PHE 16 HA PHE 16 -0.638 -4.250 -7.856 121 HB2 PHE 16 2HB PHE 16 -2.677 -6.110 -9.175 122 HB3 PHE 16 3HB PHE 16 -2.858 -4.362 -8.975 123 HD1 PHE 16 HD1 PHE 16 -1.102 -7.038 -10.807 124 HD2 PHE 16 HD2 PHE 16 -1.563 -2.792 -10.334 125 HE1 PHE 16 HE1 PHE 16 0.066 -6.669 -12.959 126 HE2 PHE 16 HE2 PHE 16 -0.398 -2.427 -12.486 127 HZ PHE 16 HZ PHE 16 0.420 -4.366 -13.802 128 H GLY 17 H GLY 17 -1.212 -3.654 -5.792 129 HA2 GLY 17 2HA GLY 17 -3.459 -5.165 -4.609 130 HA3 GLY 17 3HA GLY 17 -2.024 -4.758 -3.660 131 H PHE 18 H PHE 18 -4.295 -3.795 -2.571 132 HA PHE 18 HA PHE 18 -4.266 -0.948 -3.300 133 HB2 PHE 18 2HB PHE 18 -6.727 -2.709 -2.871 134 HB3 PHE 18 3HB PHE 18 -6.760 -0.942 -2.932 135 HD1 PHE 18 HD1 PHE 18 -6.305 0.254 -5.046 136 HD2 PHE 18 HD2 PHE 18 -6.430 -4.036 -4.879 137 HE1 PHE 18 HE1 PHE 18 -6.521 0.166 -7.510 138 HE2 PHE 18 HE2 PHE 18 -6.643 -4.124 -7.345 139 HZ PHE 18 HZ PHE 18 -6.684 -2.025 -8.664 140 H ILE 19 H ILE 19 -4.592 0.488 -1.530 141 HA ILE 19 HA ILE 19 -4.840 -0.841 1.075 142 HB ILE 19 HB ILE 19 -2.448 -0.267 0.619 143 HG12 ILE 19 2HG1 ILE 19 -2.157 1.248 2.676 144 HG13 ILE 19 3HG1 ILE 19 -3.922 1.315 2.768 145 HG21 ILE 19 1HG2 ILE 19 -1.776 2.110 0.504 146 HG22 ILE 19 2HG2 ILE 19 -2.811 1.640 -0.887 147 HG23 ILE 19 3HG2 ILE 19 -3.505 2.593 0.468 148 HD11 ILE 19 3HD1 ILE 19 -2.225 -1.218 2.902 149 HD12 ILE 19 1HD1 ILE 19 -3.022 -0.391 4.283 150 HD13 ILE 19 2HD1 ILE 19 -4.018 -1.150 2.995 151 H LYS 20 H LYS 20 -6.205 0.212 2.551 152 HA LYS 20 HA LYS 20 -7.444 2.691 1.578 153 HB2 LYS 20 2HB LYS 20 -8.901 0.746 2.141 154 HB3 LYS 20 3HB LYS 20 -8.251 0.736 3.786 155 HG2 LYS 20 2HG LYS 20 -9.159 3.052 4.135 156 HG3 LYS 20 3HG LYS 20 -9.850 3.010 2.508 157 HD2 LYS 20 2HD LYS 20 -11.200 0.995 3.134 158 HD3 LYS 20 3HD LYS 20 -10.510 1.039 4.761 159 HE2 LYS 20 2HE LYS 20 -11.459 3.331 5.101 160 HE3 LYS 20 3HE LYS 20 -12.153 3.283 3.475 161 HZ1 LYS 20 3HZ LYS 20 -12.821 1.421 5.666 162 HZ2 LYS 20 1HZ LYS 20 -13.754 2.653 5.140 163 HZ3 LYS 20 2HZ LYS 20 -13.462 1.377 4.165 164 H ASP 21 H ASP 21 -6.907 4.641 2.498 165 HA ASP 21 HA ASP 21 -4.950 4.471 4.665 166 HB2 ASP 21 2HB ASP 21 -4.316 6.715 3.972 167 HB3 ASP 21 3HB ASP 21 -4.350 5.645 2.564 168 H GLU 22 H GLU 22 -5.039 6.817 5.980 169 HA GLU 22 HA GLU 22 -7.274 6.510 7.664 170 HB2 GLU 22 2HB GLU 22 -5.116 8.637 7.341 171 HB3 GLU 22 3HB GLU 22 -6.397 8.785 8.551 172 HG2 GLU 22 2HG GLU 22 -5.684 6.614 9.563 173 HG3 GLU 22 3HG GLU 22 -4.394 6.481 8.361 174 H ASN 23 H ASN 23 -6.873 8.224 4.624 175 HA ASN 23 HA ASN 23 -8.910 10.181 5.308 176 HB2 ASN 23 2HB ASN 23 -7.182 9.717 2.855 177 HB3 ASN 23 3HB ASN 23 -8.472 10.925 2.916 178 HD21 ASN 23 1HD2 ASN 23 -5.686 11.355 2.501 179 HD22 ASN 23 2HD2 ASN 23 -5.173 12.446 3.745 180 H GLY 24 H GLY 24 -8.796 6.941 4.129 181 HA2 GLY 24 2HA GLY 24 -10.717 5.721 3.748 182 HA3 GLY 24 3HA GLY 24 -11.605 7.204 3.374 183 H ASP 25 H ASP 25 -8.553 7.229 1.755 184 HA ASP 25 HA ASP 25 -9.944 6.702 -0.749 185 HB2 ASP 25 2HB ASP 25 -8.335 8.708 -0.128 186 HB3 ASP 25 3HB ASP 25 -7.044 7.541 -0.445 187 H ASN 26 H ASN 26 -8.590 5.497 -2.509 188 HA ASN 26 HA ASN 26 -7.335 3.161 -1.223 189 HB2 ASN 26 2HB ASN 26 -8.914 3.363 -3.815 190 HB3 ASN 26 3HB ASN 26 -8.022 1.929 -3.288 191 HD21 ASN 26 1HD2 ASN 26 -10.966 3.406 -3.353 192 HD22 ASN 26 2HD2 ASN 26 -11.765 2.468 -2.136 193 H ARG 27 H ARG 27 -5.144 3.064 -1.539 194 HA ARG 27 HA ARG 27 -4.117 4.357 -3.977 195 HB2 ARG 27 2HB ARG 27 -3.002 4.188 -1.184 196 HB3 ARG 27 3HB ARG 27 -1.943 4.420 -2.582 197 HG2 ARG 27 2HG ARG 27 -3.235 6.457 -3.209 198 HG3 ARG 27 3HG ARG 27 -4.269 6.229 -1.793 199 HD2 ARG 27 2HD ARG 27 -2.529 6.693 -0.294 200 HD3 ARG 27 3HD ARG 27 -1.282 6.471 -1.528 201 HE ARG 27 HE ARG 27 -1.727 8.624 -2.364 202 HH11 ARG 27 1HH1 ARG 27 -3.939 7.839 0.252 203 HH12 ARG 27 2HH1 ARG 27 -4.399 9.489 0.511 204 HH21 ARG 27 1HH2 ARG 27 -2.337 10.731 -2.030 205 HH22 ARG 27 2HH2 ARG 27 -3.481 11.150 -0.798 206 H TYR 28 H TYR 28 -2.122 3.344 -4.929 207 HA TYR 28 HA TYR 28 -2.699 0.520 -5.128 208 HB2 TYR 28 2HB TYR 28 -0.862 2.461 -6.601 209 HB3 TYR 28 3HB TYR 28 -0.856 0.723 -6.925 210 HD1 TYR 28 HD1 TYR 28 -2.776 -0.364 -8.015 211 HD2 TYR 28 HD2 TYR 28 -2.767 3.861 -7.259 212 HE1 TYR 28 HE1 TYR 28 -4.674 -0.085 -9.577 213 HE2 TYR 28 HE2 TYR 28 -4.664 4.149 -8.823 214 HH TYR 28 HH TYR 28 -6.085 3.171 -10.202 215 H PHE 29 H PHE 29 -1.427 -1.188 -4.392 216 HA PHE 29 HA PHE 29 1.189 -0.450 -3.247 217 HB2 PHE 29 2HB PHE 29 -0.887 -2.543 -2.630 218 HB3 PHE 29 3HB PHE 29 0.810 -2.999 -2.428 219 HD1 PHE 29 HD1 PHE 29 0.681 0.466 -1.923 220 HD2 PHE 29 HD2 PHE 29 -0.386 -3.231 -0.016 221 HE1 PHE 29 HE1 PHE 29 0.723 1.590 0.282 222 HE2 PHE 29 HE2 PHE 29 -0.348 -2.106 2.189 223 HZ PHE 29 HZ PHE 29 0.208 0.309 2.340 224 H HIS 30 H HIS 30 3.055 -1.206 -4.212 225 HA HIS 30 HA HIS 30 2.767 -3.488 -6.043 226 HB2 HIS 30 2HB HIS 30 4.392 -0.956 -6.587 227 HB3 HIS 30 3HB HIS 30 4.352 -2.403 -7.603 228 HD2 HIS 30 HD2 HIS 30 2.522 0.927 -7.282 229 HE1 HIS 30 HE1 HIS 30 -0.010 -1.613 -9.619 230 H VAL 31 H VAL 31 4.610 -4.897 -6.111 231 HA VAL 31 HA VAL 31 5.927 -5.151 -3.697 232 HB VAL 31 HB VAL 31 5.555 -6.957 -5.407 233 HG11 VAL 31 1HG1 VAL 31 7.179 -7.186 -7.262 234 HG12 VAL 31 2HG1 VAL 31 6.193 -5.693 -7.416 235 HG13 VAL 31 3HG1 VAL 31 7.888 -5.593 -6.831 236 HG21 VAL 31 3HG2 VAL 31 7.133 -7.284 -3.552 237 HG22 VAL 31 1HG2 VAL 31 7.719 -8.101 -5.039 238 HG23 VAL 31 2HG2 VAL 31 8.449 -6.544 -4.524 239 H ILE 32 H ILE 32 6.788 -3.258 -6.611 240 HA ILE 32 HA ILE 32 9.524 -2.967 -5.841 241 HB ILE 32 HB ILE 32 9.603 -1.301 -7.669 242 HG12 ILE 32 2HG1 ILE 32 6.599 -1.792 -7.938 243 HG13 ILE 32 3HG1 ILE 32 7.312 -0.350 -7.204 244 HG21 ILE 32 1HG2 ILE 32 8.957 -2.794 -9.530 245 HG22 ILE 32 2HG2 ILE 32 9.804 -3.685 -8.221 246 HG23 ILE 32 3HG2 ILE 32 8.020 -3.811 -8.385 247 HD11 ILE 32 3HD1 ILE 32 7.714 -1.266 -10.086 248 HD12 ILE 32 1HD1 ILE 32 6.657 0.074 -9.530 249 HD13 ILE 32 2HD1 ILE 32 8.439 0.198 -9.340 250 H LYS 33 H LYS 33 6.494 -1.497 -4.868 251 HA LYS 33 HA LYS 33 7.925 0.887 -3.898 252 HB2 LYS 33 2HB LYS 33 4.951 0.287 -4.275 253 HB3 LYS 33 3HB LYS 33 5.592 1.770 -3.555 254 HG2 LYS 33 2HG LYS 33 6.842 2.202 -5.727 255 HG3 LYS 33 3HG LYS 33 6.013 0.805 -6.425 256 HD2 LYS 33 2HD LYS 33 3.798 1.880 -5.883 257 HD3 LYS 33 3HD LYS 33 4.656 3.292 -5.255 258 HE2 LYS 33 2HE LYS 33 5.732 3.627 -7.495 259 HE3 LYS 33 3HE LYS 33 4.855 2.225 -8.121 260 HZ1 LYS 33 3HZ LYS 33 3.605 4.679 -7.062 261 HZ2 LYS 33 1HZ LYS 33 3.731 4.274 -8.639 262 HZ3 LYS 33 2HZ LYS 33 2.795 3.384 -7.640 263 H VAL 34 H VAL 34 7.001 -2.221 -2.871 264 HA VAL 34 HA VAL 34 6.544 -1.252 -0.141 265 HB VAL 34 HB VAL 34 6.074 -3.996 -1.418 266 HG11 VAL 34 1HG1 VAL 34 5.019 -4.594 0.741 267 HG12 VAL 34 2HG1 VAL 34 6.763 -4.209 0.933 268 HG13 VAL 34 3HG1 VAL 34 5.519 -3.008 1.419 269 HG21 VAL 34 3HG2 VAL 34 4.446 -2.296 -2.120 270 HG22 VAL 34 1HG2 VAL 34 3.685 -3.493 -1.018 271 HG23 VAL 34 2HG2 VAL 34 4.135 -1.866 -0.404 272 H ALA 35 H ALA 35 8.167 -1.493 1.385 273 HA ALA 35 HA ALA 35 10.709 -2.322 0.373 274 HB1 ALA 35 3HB ALA 35 9.782 -1.447 3.154 275 HB2 ALA 35 1HB ALA 35 11.489 -1.632 2.630 276 HB3 ALA 35 2HB ALA 35 10.447 -0.382 1.870 277 H ASN 36 H ASN 36 8.302 -3.681 2.725 278 HA ASN 36 HA ASN 36 10.114 -5.846 3.355 279 HB2 ASN 36 2HB ASN 36 7.284 -5.138 4.193 280 HB3 ASN 36 3HB ASN 36 8.068 -6.654 4.656 281 HD21 ASN 36 1HD2 ASN 36 7.204 -5.001 6.572 282 HD22 ASN 36 2HD2 ASN 36 8.556 -4.334 7.425 283 HA PRO 37 HA PRO 37 9.142 -8.738 0.354 284 HB2 PRO 37 2HB PRO 37 8.355 -10.670 2.604 285 HB3 PRO 37 3HB PRO 37 9.485 -10.943 1.270 286 HG2 PRO 37 2HG PRO 37 10.445 -10.427 3.701 287 HG3 PRO 37 3HG PRO 37 11.213 -9.681 2.293 288 HD2 PRO 37 2HD PRO 37 9.369 -8.436 4.342 289 HD3 PRO 37 3HD PRO 37 10.731 -7.709 3.480 290 H ASP 38 H ASP 38 7.563 -9.283 -1.043 291 HA ASP 38 HA ASP 38 4.886 -8.668 -0.402 292 HB2 ASP 38 2HB ASP 38 4.391 -9.614 -2.597 293 HB3 ASP 38 3HB ASP 38 5.823 -8.579 -2.686 294 H LEU 39 H LEU 39 6.801 -11.304 0.627 295 HA LEU 39 HA LEU 39 4.623 -13.224 0.611 296 HB2 LEU 39 2HB LEU 39 7.408 -13.231 1.877 297 HB3 LEU 39 3HB LEU 39 6.282 -14.595 1.906 298 HG LEU 39 HG LEU 39 7.482 -13.356 -0.627 299 HD11 LEU 39 1HD1 LEU 39 8.777 -15.454 -0.744 300 HD12 LEU 39 2HD1 LEU 39 9.155 -14.529 0.748 301 HD13 LEU 39 3HD1 LEU 39 8.087 -15.970 0.831 302 HD21 LEU 39 3HD2 LEU 39 5.233 -14.312 -0.969 303 HD22 LEU 39 1HD2 LEU 39 6.494 -15.332 -1.739 304 HD23 LEU 39 2HD2 LEU 39 5.757 -15.840 -0.182 305 H ILE 40 H ILE 40 5.452 -10.465 2.480 306 HA ILE 40 HA ILE 40 4.190 -11.658 4.846 307 HB ILE 40 HB ILE 40 5.863 -9.106 4.572 308 HG12 ILE 40 2HG1 ILE 40 7.220 -11.126 4.290 309 HG13 ILE 40 3HG1 ILE 40 7.576 -10.340 5.834 310 HG21 ILE 40 1HG2 ILE 40 5.804 -9.077 7.042 311 HG22 ILE 40 2HG2 ILE 40 4.161 -8.928 6.333 312 HG23 ILE 40 3HG2 ILE 40 4.700 -10.494 7.029 313 HD11 ILE 40 3HD1 ILE 40 5.789 -12.784 5.448 314 HD12 ILE 40 1HD1 ILE 40 7.468 -12.778 6.087 315 HD13 ILE 40 2HD1 ILE 40 6.151 -11.985 7.016 316 H LYS 41 H LYS 41 2.004 -11.235 4.961 317 HA LYS 41 HA LYS 41 1.154 -8.514 4.229 318 HB2 LYS 41 2HB LYS 41 -0.871 -9.420 3.233 319 HB3 LYS 41 3HB LYS 41 0.545 -10.095 2.417 320 HG2 LYS 41 2HG LYS 41 0.304 -12.199 3.737 321 HG3 LYS 41 3HG LYS 41 -1.109 -11.524 4.558 322 HD2 LYS 41 2HD LYS 41 -2.247 -11.257 2.320 323 HD3 LYS 41 3HD LYS 41 -0.848 -12.008 1.541 324 HE2 LYS 41 2HE LYS 41 -1.193 -14.083 2.864 325 HE3 LYS 41 3HE LYS 41 -2.549 -13.335 3.717 326 HZ1 LYS 41 3HZ LYS 41 -2.441 -13.845 0.812 327 HZ2 LYS 41 1HZ LYS 41 -3.296 -14.708 1.903 328 HZ3 LYS 41 2HZ LYS 41 -3.693 -13.154 1.600 329 H LYS 42 H LYS 42 -0.773 -7.751 5.407 330 HA LYS 42 HA LYS 42 -2.223 -9.214 7.220 331 HB2 LYS 42 2HB LYS 42 -0.159 -9.657 8.447 332 HB3 LYS 42 3HB LYS 42 0.265 -7.940 8.447 333 HG2 LYS 42 2HG LYS 42 -1.584 -7.407 9.942 334 HG3 LYS 42 3HG LYS 42 -2.241 -9.043 9.804 335 HD2 LYS 42 2HD LYS 42 -0.175 -9.969 10.860 336 HD3 LYS 42 3HD LYS 42 0.500 -8.339 10.983 337 HE2 LYS 42 2HE LYS 42 -1.378 -7.643 12.452 338 HE3 LYS 42 3HE LYS 42 -2.125 -9.238 12.284 339 HZ1 LYS 42 3HZ LYS 42 0.516 -8.716 13.495 340 HZ2 LYS 42 1HZ LYS 42 -0.856 -9.064 14.308 341 HZ3 LYS 42 2HZ LYS 42 -0.174 -10.188 13.340 342 H ASP 43 H ASP 43 -4.023 -7.923 7.097 343 HA ASP 43 HA ASP 43 -3.718 -5.151 6.456 344 HB2 ASP 43 2HB ASP 43 -6.157 -5.160 6.378 345 HB3 ASP 43 3HB ASP 43 -5.516 -6.566 5.518 346 H ALA 44 H ALA 44 -3.480 -6.824 9.416 347 HA ALA 44 HA ALA 44 -5.038 -4.972 10.990 348 HB1 ALA 44 3HB ALA 44 -3.061 -7.181 11.739 349 HB2 ALA 44 1HB ALA 44 -4.121 -6.290 12.883 350 HB3 ALA 44 2HB ALA 44 -4.846 -7.344 11.623 351 H ALA 45 H ALA 45 -1.967 -4.811 9.469 352 HA ALA 45 HA ALA 45 -1.438 -2.350 10.791 353 HB1 ALA 45 3HB ALA 45 0.441 -4.705 11.323 354 HB2 ALA 45 1HB ALA 45 0.777 -2.986 11.719 355 HB3 ALA 45 2HB ALA 45 -0.565 -3.850 12.541 356 H VAL 46 H VAL 46 -0.660 -1.059 9.168 357 HA VAL 46 HA VAL 46 1.708 -1.940 7.848 358 HB VAL 46 HB VAL 46 0.060 -2.947 6.320 359 HG11 VAL 46 1HG1 VAL 46 -1.565 -1.534 5.100 360 HG12 VAL 46 2HG1 VAL 46 -1.872 -1.531 6.870 361 HG13 VAL 46 3HG1 VAL 46 -1.076 -0.121 6.095 362 HG21 VAL 46 3HG2 VAL 46 2.110 -1.989 5.361 363 HG22 VAL 46 1HG2 VAL 46 0.727 -1.797 4.232 364 HG23 VAL 46 2HG2 VAL 46 1.302 -0.394 5.194 365 H THR 47 H THR 47 2.938 -0.136 7.046 366 HA THR 47 HA THR 47 1.597 2.463 7.286 367 HB THR 47 HB THR 47 4.410 1.782 8.294 368 HG1 THR 47 HG1 THR 47 3.426 2.271 10.385 369 HG21 THR 47 3HG2 THR 47 2.778 4.367 8.406 370 HG22 THR 47 1HG2 THR 47 4.383 4.102 9.167 371 HG23 THR 47 2HG2 THR 47 4.220 4.068 7.379 372 H PHE 48 H PHE 48 2.333 4.079 5.777 373 HA PHE 48 HA PHE 48 4.340 3.325 3.841 374 HB2 PHE 48 2HB PHE 48 2.753 3.361 1.938 375 HB3 PHE 48 3HB PHE 48 2.463 1.997 3.026 376 HD1 PHE 48 HD1 PHE 48 0.483 1.969 4.510 377 HD2 PHE 48 HD2 PHE 48 1.127 5.136 1.681 378 HE1 PHE 48 HE1 PHE 48 -1.885 2.651 4.735 379 HE2 PHE 48 HE2 PHE 48 -1.241 5.819 1.909 380 HZ PHE 48 HZ PHE 48 -2.753 4.578 3.432 381 H GLU 49 H GLU 49 4.487 5.087 2.069 382 HA GLU 49 HA GLU 49 3.548 7.657 3.166 383 HB2 GLU 49 2HB GLU 49 5.823 6.932 1.261 384 HB3 GLU 49 3HB GLU 49 5.303 8.592 1.582 385 HG2 GLU 49 2HG GLU 49 5.784 8.170 4.055 386 HG3 GLU 49 3HG GLU 49 6.489 6.617 3.589 387 HA PRO 50 HA PRO 50 0.753 7.561 -0.261 388 HB2 PRO 50 2HB PRO 50 -0.621 9.863 0.353 389 HB3 PRO 50 3HB PRO 50 -0.766 8.446 1.402 390 HG2 PRO 50 2HG PRO 50 0.982 10.905 1.751 391 HG3 PRO 50 3HG PRO 50 -0.031 10.086 2.946 392 HD2 PRO 50 2HD PRO 50 2.673 9.652 2.793 393 HD3 PRO 50 3HD PRO 50 1.553 8.394 3.332 394 H THR 51 H THR 51 0.201 8.603 -2.241 395 HA THR 51 HA THR 51 1.761 11.024 -2.768 396 HB THR 51 HB THR 51 2.386 10.253 -4.974 397 HG1 THR 51 HG1 THR 51 0.818 8.944 -5.763 398 HG21 THR 51 3HG2 THR 51 2.900 8.036 -2.933 399 HG22 THR 51 1HG2 THR 51 3.828 8.310 -4.446 400 HG23 THR 51 2HG2 THR 51 3.865 9.537 -3.135 401 H THR 52 H THR 52 0.872 12.160 -4.862 402 HA THR 52 HA THR 52 -1.822 11.262 -5.531 403 HB THR 52 HB THR 52 -1.069 14.167 -4.904 404 HG1 THR 52 HG1 THR 52 -2.683 13.861 -3.206 405 HG21 THR 52 3HG2 THR 52 -3.708 12.915 -5.809 406 HG22 THR 52 1HG2 THR 52 -3.464 14.631 -5.339 407 HG23 THR 52 2HG2 THR 52 -2.644 13.973 -6.795 408 H ASN 53 H ASN 53 -2.004 11.066 -7.747 409 HA ASN 53 HA ASN 53 -0.075 12.619 -9.345 410 HB2 ASN 53 2HB ASN 53 -1.121 9.815 -9.889 411 HB3 ASN 53 3HB ASN 53 -0.002 10.734 -10.904 412 HD21 ASN 53 1HD2 ASN 53 -0.292 8.474 -8.481 413 HD22 ASN 53 2HD2 ASN 53 1.364 8.425 -7.977 414 H ASN 54 H ASN 54 -0.813 12.976 -11.670 415 HA ASN 54 HA ASN 54 -3.470 13.932 -11.733 416 HB2 ASN 54 2HB ASN 54 -1.345 13.484 -13.851 417 HB3 ASN 54 3HB ASN 54 -2.952 14.112 -14.238 418 HD21 ASN 54 1HD2 ASN 54 -0.621 15.499 -14.737 419 HD22 ASN 54 2HD2 ASN 54 -0.648 16.949 -13.789 420 H LYS 55 H LYS 55 -1.984 10.782 -12.480 421 HA LYS 55 HA LYS 55 -4.396 9.952 -13.918 422 HB2 LYS 55 2HB LYS 55 -1.703 8.605 -13.400 423 HB3 LYS 55 3HB LYS 55 -3.043 7.852 -14.274 424 HG2 LYS 55 2HG LYS 55 -2.939 9.642 -15.998 425 HG3 LYS 55 3HG LYS 55 -1.621 10.425 -15.118 426 HD2 LYS 55 2HD LYS 55 -0.219 8.371 -15.384 427 HD3 LYS 55 3HD LYS 55 -1.538 7.581 -16.257 428 HE2 LYS 55 2HE LYS 55 -1.461 9.405 -17.987 429 HE3 LYS 55 3HE LYS 55 -0.106 10.146 -17.125 430 HZ1 LYS 55 3HZ LYS 55 -0.101 7.437 -18.293 431 HZ2 LYS 55 1HZ LYS 55 0.645 8.749 -18.917 432 HZ3 LYS 55 2HZ LYS 55 1.150 8.121 -17.497 433 H GLY 56 H GLY 56 -3.146 10.033 -10.684 434 HA2 GLY 56 2HA GLY 56 -5.160 9.285 -9.289 435 HA3 GLY 56 3HA GLY 56 -4.787 7.692 -9.961 436 H LEU 57 H LEU 57 -4.707 8.578 -7.091 437 HA LEU 57 HA LEU 57 -2.005 9.186 -6.418 438 HB2 LEU 57 2HB LEU 57 -2.979 8.506 -4.073 439 HB3 LEU 57 3HB LEU 57 -3.515 9.994 -4.862 440 HG LEU 57 HG LEU 57 -5.276 8.473 -3.736 441 HD11 LEU 57 1HD1 LEU 57 -6.962 9.038 -5.455 442 HD12 LEU 57 2HD1 LEU 57 -5.828 10.399 -5.156 443 HD13 LEU 57 3HD1 LEU 57 -5.645 9.385 -6.627 444 HD21 LEU 57 3HD2 LEU 57 -4.516 6.344 -4.703 445 HD22 LEU 57 1HD2 LEU 57 -6.205 6.703 -5.196 446 HD23 LEU 57 2HD2 LEU 57 -4.858 6.958 -6.356 447 H SER 58 H SER 58 -0.571 7.824 -5.048 448 HA SER 58 HA SER 58 -1.179 4.976 -5.014 449 HB2 SER 58 2HB SER 58 0.860 4.345 -6.140 450 HB3 SER 58 3HB SER 58 -0.067 5.401 -7.213 451 HG SER 58 HG SER 58 1.425 7.074 -5.856 452 H ALA 59 H ALA 59 0.963 3.838 -3.969 453 HA ALA 59 HA ALA 59 1.823 5.604 -1.772 454 HB1 ALA 59 3HB ALA 59 0.725 2.757 -1.564 455 HB2 ALA 59 1HB ALA 59 1.442 3.705 -0.218 456 HB3 ALA 59 2HB ALA 59 -0.084 4.254 -0.991 457 H TYR 60 H TYR 60 3.888 5.100 -0.846 458 HA TYR 60 HA TYR 60 5.346 2.876 -2.052 459 HB2 TYR 60 2HB TYR 60 7.178 4.250 -2.782 460 HB3 TYR 60 3HB TYR 60 5.707 4.919 -3.501 461 HD1 TYR 60 HD1 TYR 60 4.618 6.961 -2.360 462 HD2 TYR 60 HD2 TYR 60 8.582 5.597 -1.416 463 HE1 TYR 60 HE1 TYR 60 5.150 9.176 -1.391 464 HE2 TYR 60 HE2 TYR 60 9.114 7.808 -0.442 465 HH TYR 60 HH TYR 60 7.501 9.770 0.674 466 H ALA 61 H ALA 61 7.723 2.903 -0.981 467 HA ALA 61 HA ALA 61 8.828 2.479 0.897 468 HB1 ALA 61 3HB ALA 61 7.430 5.039 1.816 469 HB2 ALA 61 1HB ALA 61 8.852 4.279 2.607 470 HB3 ALA 61 2HB ALA 61 8.996 4.935 0.941 471 H VAL 62 H VAL 62 6.715 0.767 0.767 472 HA VAL 62 HA VAL 62 4.996 1.207 3.060 473 HB VAL 62 HB VAL 62 5.015 -1.011 0.951 474 HG11 VAL 62 1HG1 VAL 62 2.712 -1.459 1.747 475 HG12 VAL 62 2HG1 VAL 62 3.928 -1.697 3.048 476 HG13 VAL 62 3HG1 VAL 62 2.917 -0.213 3.025 477 HG21 VAL 62 3HG2 VAL 62 4.593 1.199 -0.038 478 HG22 VAL 62 1HG2 VAL 62 3.095 0.207 -0.028 479 HG23 VAL 62 2HG2 VAL 62 3.314 1.515 1.183 480 H LYS 63 H LYS 63 5.120 0.060 4.997 481 HA LYS 63 HA LYS 63 6.911 -2.285 5.008 482 HB2 LYS 63 2HB LYS 63 6.482 -0.144 7.146 483 HB3 LYS 63 3HB LYS 63 7.336 -1.667 7.426 484 HG2 LYS 63 2HG LYS 63 8.986 -1.024 5.625 485 HG3 LYS 63 3HG LYS 63 8.161 0.533 5.468 486 HD2 LYS 63 2HD LYS 63 8.612 1.014 7.885 487 HD3 LYS 63 3HD LYS 63 9.438 -0.542 8.040 488 HE2 LYS 63 2HE LYS 63 11.058 0.187 6.237 489 HE3 LYS 63 3HE LYS 63 10.265 1.767 6.204 490 HZ1 LYS 63 3HZ LYS 63 11.589 0.577 8.558 491 HZ2 LYS 63 1HZ LYS 63 12.191 1.774 7.625 492 HZ3 LYS 63 2HZ LYS 63 10.856 2.036 8.528 493 H VAL 64 H VAL 64 5.877 -4.172 5.531 494 HA VAL 64 HA VAL 64 3.414 -3.906 7.114 495 HB VAL 64 HB VAL 64 4.342 -6.138 5.234 496 HG11 VAL 64 1HG1 VAL 64 2.110 -7.127 5.645 497 HG12 VAL 64 2HG1 VAL 64 3.087 -7.033 7.149 498 HG13 VAL 64 3HG1 VAL 64 1.771 -5.846 6.858 499 HG21 VAL 64 3HG2 VAL 64 3.591 -4.119 4.050 500 HG22 VAL 64 1HG2 VAL 64 2.400 -5.450 3.862 501 HG23 VAL 64 2HG2 VAL 64 2.072 -4.107 5.008 502 H VAL 65 H VAL 65 3.186 -5.153 9.042 503 HA VAL 65 HA VAL 65 5.662 -5.502 10.331 504 HB VAL 65 HB VAL 65 4.278 -6.233 12.263 505 HG11 VAL 65 1HG1 VAL 65 2.924 -4.171 12.490 506 HG12 VAL 65 2HG1 VAL 65 4.551 -3.831 11.810 507 HG13 VAL 65 3HG1 VAL 65 3.115 -3.858 10.732 508 HG21 VAL 65 3HG2 VAL 65 2.623 -7.579 11.046 509 HG22 VAL 65 1HG2 VAL 65 1.815 -6.329 12.052 510 HG23 VAL 65 2HG2 VAL 65 1.963 -6.096 10.277 511 HA PRO 66 HA PRO 66 6.513 -9.776 9.628 512 HB2 PRO 66 2HB PRO 66 7.746 -10.426 12.047 513 HB3 PRO 66 3HB PRO 66 8.560 -9.435 10.830 514 HG2 PRO 66 2HG PRO 66 7.033 -8.547 13.301 515 HG3 PRO 66 3HG PRO 66 8.597 -7.981 12.702 516 HD2 PRO 66 2HD PRO 66 6.350 -6.536 12.234 517 HD3 PRO 66 3HD PRO 66 7.613 -6.637 11.001 518 H LEU 67 H LEU 67 5.895 -11.925 10.042 519 HA LEU 67 HA LEU 67 3.406 -11.963 11.608 520 HB2 LEU 67 2HB LEU 67 4.442 -13.857 9.444 521 HB3 LEU 67 3HB LEU 67 2.852 -13.922 10.217 522 HG LEU 67 HG LEU 67 3.867 -11.622 8.464 523 HD11 LEU 67 1HD1 LEU 67 2.222 -12.468 6.830 524 HD12 LEU 67 2HD1 LEU 67 3.481 -13.696 7.194 525 HD13 LEU 67 3HD1 LEU 67 1.845 -13.845 7.919 526 HD21 LEU 67 3HD2 LEU 67 2.285 -10.898 10.214 527 HD22 LEU 67 1HD2 LEU 67 1.523 -10.844 8.589 528 HD23 LEU 67 2HD2 LEU 67 1.137 -12.187 9.718 529 H GLU 68 H GLU 68 5.823 -12.090 13.141 530 HA GLU 68 HA GLU 68 6.823 -13.304 14.703 531 HB2 GLU 68 2HB GLU 68 4.540 -15.277 14.207 532 HB3 GLU 68 3HB GLU 68 5.650 -15.318 15.583 533 HG2 GLU 68 2HG GLU 68 4.819 -13.074 16.310 534 HG3 GLU 68 3HG GLU 68 3.697 -13.054 14.944 535 H HIS 69 H HIS 69 7.705 -13.601 11.909 536 HA HIS 69 HA HIS 69 9.090 -16.152 12.362 537 HB2 HIS 69 2HB HIS 69 8.055 -15.108 9.680 538 HB3 HIS 69 3HB HIS 69 9.117 -16.506 9.890 539 HD2 HIS 69 HD2 HIS 69 5.380 -15.728 9.759 540 HE1 HIS 69 HE1 HIS 69 5.745 -19.599 11.548 541 H HIS 70 H HIS 70 10.512 -14.319 13.423 542 HA HIS 70 HA HIS 70 12.617 -13.729 11.595 543 HB2 HIS 70 2HB HIS 70 11.057 -11.900 10.980 544 HB3 HIS 70 3HB HIS 70 10.932 -11.415 12.676 545 HD2 HIS 70 HD2 HIS 70 12.766 -9.515 13.413 546 HE1 HIS 70 HE1 HIS 70 15.480 -10.035 10.142 547 H HIS 71 H HIS 71 14.562 -13.394 12.728 548 HA HIS 71 HA HIS 71 14.487 -12.484 15.455 549 HB2 HIS 71 2HB HIS 71 13.927 -14.907 15.708 550 HB3 HIS 71 3HB HIS 71 15.396 -15.336 14.821 551 HD2 HIS 71 HD2 HIS 71 17.576 -15.708 16.440 552 HE1 HIS 71 HE1 HIS 71 16.097 -13.649 19.889 553 H HIS 72 H HIS 72 16.467 -11.539 16.031 554 HA HIS 72 HA HIS 72 18.845 -12.211 14.537 555 HB2 HIS 72 2HB HIS 72 19.219 -9.950 13.672 556 HB3 HIS 72 3HB HIS 72 17.740 -10.636 12.987 557 HD2 HIS 72 HD2 HIS 72 18.882 -7.554 15.028 558 HE1 HIS 72 HE1 HIS 72 14.603 -7.497 14.914 559 H HIS 73 H HIS 73 20.756 -10.802 15.363 560 HA HIS 73 HA HIS 73 22.024 -10.278 17.103 561 HB2 HIS 73 2HB HIS 73 19.467 -8.817 17.921 562 HB3 HIS 73 3HB HIS 73 21.005 -8.645 18.777 563 HD2 HIS 73 HD2 HIS 73 22.410 -8.712 15.434 564 HE1 HIS 73 HE1 HIS 73 20.850 -4.735 15.702 565 H HIS 74 H HIS 74 21.017 -12.895 17.304 566 HA HIS 74 HA HIS 74 19.562 -13.465 19.599 567 HB2 HIS 74 2HB HIS 74 20.073 -15.049 17.728 568 HB3 HIS 74 3HB HIS 74 21.764 -15.102 18.243 569 HD2 HIS 74 HD2 HIS 74 22.293 -17.095 20.048 570 HE1 HIS 74 HE1 HIS 74 18.266 -17.823 21.306
Contact the webmaster for help, if required. Wednesday, June 12, 2024 1:39:36 PM GMT (wattos1)